A0A077Z8L9_TRITR Loading...

Rho GTP binding protein RhoU

AlphaFold DB , UniProt , Accession A0A077Z8L9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	34.9	Very low	243 Å²	243	150.5 Å²	150.5	100%	1.197	85%	0.845	S	S	*	*				0	69.6	0	-163.6	177.3	-160.3	0	0	109.1
2	V	39	Very low	35	Very low	147 Å²	147	146.9 Å²	146.9	89%	0.891	83%	0.833	S	S	*	*			trans	-151.3	118	149.8	-173.5	0	0	0	0	104.7
3	E	34.3	Very low	34.7	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	84%	0.837	S	S	*	*			trans	-78.5	152.1	-173.6	-68.8	169.1	119.7	0	0	112.7
4	K	32.3	Very low	35	Very low	199 Å²	199	147.1 Å²	147.1	87%	0.865	83%	0.834	S	S	*	*			trans	7.4	108.9	147.6	-72.1	174.2	173.8	174.5	0	117.4
5	L	37	Very low	34.8	Very low	181 Å²	181	144 Å²	144	95%	0.948	83%	0.825	S	S	*	*			trans	-115.7	96.3	137.4	-67.4	169.9	0	0	0	104.9
6	G	32.8	Very low	34.6	Very low	64 Å²	64	142.1 Å²	142.1	66%	0.66	82%	0.823	S	S	*	*			cis	86.5	73.5	38.4	0	0	0	0	0	109.4
7	S	32.4	Very low	34.8	Very low	108 Å²	108	145.4 Å²	145.4	76%	0.755	83%	0.829	S	S	*	*			trans	36.8	115.9	150.3	-175.6	0	0	0	0	118.3
8	Y	35.7	Very low	34.7	Very low	224 Å²	224	146.8 Å²	146.8	88%	0.878	83%	0.834	S	S	*	*			trans	-152.2	111.9	137.9	-117.3	-87.3	0	0	0	112.4
9	C	35.5	Very low	34.5	Very low	109 Å²	109	143.1 Å²	143.1	74%	0.736	83%	0.831	S	S	*	*			trans	72.8	93	152.6	-68.4	0	0	0	0	121.2
10	A	35.2	Very low	34.3	Very low	92 Å²	92	139.7 Å²	139.7	76%	0.76	83%	0.828	S	S	*	*			trans	-81.6	132.6	141.7	0	0	0	0	0	110.7
11	S	36.3	Very low	34.3	Very low	110 Å²	110	137 Å²	137	77%	0.769	83%	0.829	S	S	*	*			trans	60.3	146.4	153	-44.7	0	0	0	0	120.2
12	P	36.7	Very low	34.4	Very low	108 Å²	108	129 Å²	129	70%	0.701	81%	0.81	S	S	*	*				-135.8	145	83.1	29.9	-12.2	0	0	0	115	L14	P12-L14 HydrophobicContact CG-CD1 4.36Å; P12-L14 PolarHBondContact O-N 2.95Å
13	T	31.2	Very low	35.2	Very low	144 Å²	144	125.5 Å²	125.5	88%	0.883	80%	0.796	S	S	*	*			trans	-57.9	120	152.8	0.5	0	0	0	0	108.5
14	L	38	Very low	36.9	Very low	152 Å²	152	119.2 Å²	119.2	80%	0.796	78%	0.779	S	S	*	*			trans	-139.1	133.3	167.9	-94.5	162.5	0	0	0	110.7	P12	P12-L14 HydrophobicContact CG-CD1 4.36Å; P12-L14 PolarHBondContact O-N 2.95Å
15	S	33.2	Very low	39.3	Very low	101 Å²	101	118.3 Å²	118.3	71%	0.706	77%	0.77	S	S	*	*			trans	-62	157.2	-177.5	37.9	0	0	0	0	114.3
16	S	31.4	Very low	41.9	Very low	113 Å²	113	111.5 Å²	111.5	79%	0.79	74%	0.737	S	S	*	*			trans	-32.6	122.5	164	46.9	0	0	0	0	115.7
17	E	37	Very low	44.8	Very low	199 Å²	199	108.8 Å²	108.8	93%	0.93	71%	0.708	S	S	*	*			trans	-137.4	116.7	141.8	-72.2	-166.3	121.2	0	0	108.7
18	D	34.2	Very low	47.8	Very low	171 Å²	171	105.3 Å²	105.3	91%	0.914	68%	0.679	S	S	*	*			trans	-84.2	140.2	170	-176.9	21.1	0	0	0	108.4
19	G	30.5	Very low	50.8	Low	75 Å²	75	94.6 Å²	94.6	77%	0.773	64%	0.637	S	S	*	*			trans	120	72	176.8	0	0	0	0	0	115.8
20	G	30.5	Very low	53.7	Low	75 Å²	75	89.4 Å²	89.4	77%	0.773	60%	0.602	S	S	*	*	S	Bend	trans	154.5	82.4	166.4	0	0	0	0	0	114.8	G22	G20-G22 PolarHBondContact O-N 3.44Å
21	G	33.2	Very low	56.7	Low	83 Å²	83	85 Å²	85	86%	0.856	57%	0.566	S	S	*	*			trans	49.7	52.8	163.3	0	0	0	0	0	116.2	A23	G21-A23 PolarHBondContact O-N 3.01Å
22	G	36.2	Very low	59.7	Low	77 Å²	77	79.8 Å²	79.8	79%	0.794	53%	0.529	S	S	*	.			trans	-60.8	94.8	-171.9	0	0	0	0	0	114.3	G20 G24	G20-G22 PolarHBondContact O-N 3.44Å; G22-G24 PolarHBondContact O-N 3.33Å
23	A	55.6	Low	62.6	Low	72 Å²	72	74.7 Å²	74.7	60%	0.595	50%	0.496	S	S	*	.			trans	-67.5	102.7	163.3	0	0	0	0	0	108	G21	G21-A23 PolarHBondContact O-N 3.01Å
24	G	69.3	Low	65.8	Low	47 Å²	47	69 Å²	69	49%	0.485	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-52.5	159.4	179.2	0	0	0	0	0	113.1	G22	G22-G24 PolarHBondContact O-N 3.33Å
25	R	83.9	Confident	68.4	Low	179 Å²	179	62.4 Å²	62.4	68%	0.675	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-46.5	132.7	179.3	-176.7	-178.2	-179.7	177.4	0.1	110.3	I27	R25-I27 PolarHBondContact O-N 2.93Å
26	P	91.6	Very high	71.3	Confident	39 Å²	39	59 Å²	59	25%	0.253	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-61.6	139.5	-178.4	23.8	-33.6	0	0	0	111.7	R75 Q77 H99	P26-R75 CarbonylContact C-O 3.57Å; P26-R75 WeakPolarHBondContact CA-O 3.47Å; P26-R75 HydrophobicContact CB-CB 4.08Å; P26-R75 HydrophobicContact CB-CG 4.07Å; P26-R75 WeakPolarHBondContact CB-O 3.45Å; P26-Q77 HydrophobicContact CB-CG 3.89Å; P26-H99 PolarHBondContact O-CE1 2.98Å
27	I	94.4	Very high	74.5	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.036	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.6	168.4	-63.7	180	0	0	0	107.8	R25 I74 R75 L76 Q77 H99 I196 A199 L200	R25-I27 PolarHBondContact O-N 2.93Å; I27-I74 HydrophobicContact CD1-CG2 3.58Å; I27-I74 HydrophobicContact CG1-CG2 3.77Å; I27-R75 PolarHBondContact N-O 3.4Å; I27-L76 HydrophobicContact CB-CD1 4.1Å; I27-L76 HydrophobicContact CG2-CD1 3.83Å; I27-L76 CarbonylContact O-C 3.47Å; I27-Q77 PolarHBondContact O-N 3.17Å; I27-H99 HydrophobicContact CG2-CB 4.07Å; I27-I196 HydrophobicContact CD1-CG2 4.24Å; I27-A199 HydrophobicContact CD1-CB 4.32Å; I27-A199 HydrophobicContact CG2-CB 3.45Å; I27-A199 VanDerWaalsContact CG2-CB 3.45Å; I27-L200 HydrophobicContact CD1-CD1 4.06Å; I27-L200 HydrophobicContact CD1-CD2 3.64Å; I27-L200 HydrophobicContact CD1-CG 3.62Å; I27-L200 HydrophobicContact CG1-CD2 4.39Å
28	K	95.4	Very high	77.3	Confident	34 Å²	34	44.9 Å²	44.9	15%	0.148	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.5	176.4	-176.9	179.3	173.8	-177	0	110.5	V30 C94 P96 H99 V100	K28-V30 HydrophobicContact CG-CG2 4.35Å; K28-C94 WeakPolarHBondContact CE-O 3.49Å; K28-C94 PolarHBondContact NZ-O 3.44Å; K28-P96 PolarHBondContact NZ-O 3.33Å; K28-H99 PolarHBondContact N-ND1 3.01Å; K28-H99 PolarHBondContact O-N 3.47Å; K28-V100 PolarHBondContact O-N 3.4Å
29	C	97.3	Very high	80.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.4	175.3	175.8	0	0	0	0	109.1	L76 Q77 L78 C79 V100	C29-L76 HydrophobicContact CB-CD1 3.98Å; C29-Q77 PolarHBondContact N-O 3.05Å; C29-L78 HydrophobicContact CB-CD2 3.87Å; C29-L78 WeakPolarHBondContact O-CA 3.39Å; C29-C79 PolarHBondContact O-N 2.92Å; C29-V100 WeakPolarHBondContact CA-O 3.31Å; C29-V100 HydrophobicContact CB-CG1 3.63Å
30	V	97.4	Very high	83.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.2	179.2	-173.9	0	0	0	0	109.6	K28 V32 C79 T81 C94 Y95 S98 V100 L101 L102	K28-V30 HydrophobicContact CG-CG2 4.35Å; V30-V32 HydrophobicContact CG1-CG2 3.91Å; V30-C79 HydrophobicContact CB-CB 4.28Å; V30-C79 HydrophobicContact CG1-CB 4.14Å; V30-C79 HydrophobicContact CG2-CB 3.92Å; V30-T81 HydrophobicContact CG1-CG2 3.76Å; V30-C94 HydrophobicContact CG1-CB 4.31Å; V30-Y95 HydrophobicContact CG1-CD1 4.24Å; V30-Y95 HydrophobicContact CG1-CE1 4.2Å; V30-S98 WeakPolarHBondContact CG2-OG 3.42Å; V30-V100 PolarHBondContact N-O 3.3Å; V30-V100 VanDerWaalsContact N-O 3.15Å; V30-L101 HydrophobicContact CB-CD2 3.9Å; V30-L101 HydrophobicContact CG2-CD2 4.47Å; V30-L101 WeakPolarHBondContact O-CA 3.41Å; V30-L102 PolarHBondContact O-N 3.42Å
31	L	98.3	Very high	86.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.9	174.6	-72.3	73.2	0	0	0	109.5	K39 L42 I43 C79 T81 L102	L31-K39 HydrophobicContact CB-CB 4.32Å; L31-K39 HydrophobicContact CB-CD 4.25Å; L31-K39 HydrophobicContact CD2-CB 4.2Å; L31-L42 HydrophobicContact CD2-CD2 4.02Å; L31-I43 HydrophobicContact CD1-CD1 3.85Å; L31-I43 HydrophobicContact CD1-CG1 4.04Å; L31-I43 HydrophobicContact CD2-CD1 3.73Å; L31-I43 HydrophobicContact CD2-CG1 3.56Å; L31-I43 HydrophobicContact CG-CD1 4.24Å; L31-I43 HydrophobicContact CG-CG1 4.4Å; L31-C79 PolarHBondContact N-O 3.46Å; L31-T81 PolarHBondContact O-OG1 3.08Å; L31-L102 HydrophobicContact CD1-CD1 4.04Å; L31-L102 HydrophobicContact CD2-CD1 4.3Å; L31-L102 HydrophobicContact CG-CB 3.97Å; L31-L102 HydrophobicContact CG-CD1 3.89Å; L31-L102 HydrophobicContact CG-CG 4.39Å
32	V	97.9	Very high	89.5	Confident	0 Å²	0	28 Å²	28	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.2	-175.9	-174.8	0	0	0	0	109.8	V30 Y95 L102 L103 C104 W120 V124	V30-V32 HydrophobicContact CG1-CG2 3.91Å; V32-Y95 HydrophobicContact CG2-CE1 3.66Å; V32-L102 PolarHBondContact N-O 3.33Å; V32-L103 HydrophobicContact CB-CD1 4.24Å; V32-L103 HydrophobicContact CG1-CD1 4.38Å; V32-C104 PolarHBondContact O-N 3.39Å; V32-W120 HydrophobicContact CG1-CB 4.32Å; V32-W120 HydrophobicContact CG1-CD2 3.93Å; V32-W120 HydrophobicContact CG1-CE3 3.26Å; V32-W120 HydrophobicContact CG1-CG 4.4Å; V32-W120 HydrophobicContact CG1-CZ3 3.86Å; V32-V124 HydrophobicContact CB-CG1 4.22Å; V32-V124 HydrophobicContact CG1-CG1 3.97Å; V32-V124 HydrophobicContact CG2-CG1 3.93Å
33	G	98.3	Very high	92.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.151	C	C	.	.			trans	155.5	174.1	-178.2	0	0	0	0	0	111.7	K39 G83 C104 W120	G33-K39 PolarHBondContact O-NZ 3.09Å; G33-G83 VanDerWaalsContact O-CA 3.23Å; G33-G83 WeakPolarHBondContact O-CA 3.12Å; G33-C104 WeakPolarHBondContact CA-O 3.35Å; G33-W120 WeakPolarHBondContact O-CZ2 3.41Å
34	D	97.5	Very high	94	Very high	24 Å²	24	21.8 Å²	21.8	13%	0.128	13%	0.127	C	C	.	.	S	Bend	trans	-54.5	160.9	-178.9	-79.4	14.6	0	0	0	112.8	V37 K39 S112 N115 W120	D34-V37 HydrophobicContact CB-CG1 3.63Å; D34-V37 VanDerWaalsContact O-CG2 3.25Å; D34-V37 WeakPolarHBondContact O-CG2 3.41Å; D34-K39 PolarHBondContact O-NZ 3.25Å; D34-S112 VanDerWaalsContact OD2-CA 3.26Å; D34-S112 WeakPolarHBondContact OD2-CA 3.42Å; D34-S112 WeakPolarHBondContact OD2-CB 3.46Å; D34-N115 WeakPolarHBondContact OD1-CB 3.5Å; D34-N115 PolarHBondContact OD1-ND2 3.2Å; D34-N115 PolarHBondContact OD2-ND2 3.38Å; D34-W120 VanDerWaalsContact OD1-CE2 3.31Å; D34-W120 WeakPolarHBondContact OD1-CZ2 3.24Å; D34-W120 PolarHBondContact OD1-NE1 2.87Å
35	G	93.6	Very high	95.2	Very high	15 Å²	15	19.6 Å²	19.6	16%	0.155	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	152.5	167.9	0	0	0	0	0	111.1	V37 F310	G35-V37 PolarHBondContact O-N 3.11Å; G35-F310 VanDerWaalsContact C-CZ 3.49Å
36	A	94	Very high	95.6	Very high	29 Å²	29	11.4 Å²	11.4	24%	0.24	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	6	179.9	0	0	0	0	0	117.9	G38 Q139 F310	A36-G38 PolarHBondContact O-N 2.73Å; A36-Q139 PolarHBondContact O-NE2 3.42Å; A36-F310 HydrophobicContact CB-CD1 3.9Å; A36-F310 HydrophobicContact CB-CE1 3.2Å; A36-F310 HydrophobicContact CB-CZ 3.68Å
37	V	97.4	Very high	95.6	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.018	6%	0.062	C	C	.	.	S	Bend	trans	-71.3	4.9	172	-53.2	0	0	0	0	113.5	D34 G35 K39 C104 T138	D34-V37 HydrophobicContact CB-CG1 3.63Å; D34-V37 VanDerWaalsContact O-CG2 3.25Å; D34-V37 WeakPolarHBondContact O-CG2 3.41Å; G35-V37 PolarHBondContact O-N 3.11Å; V37-K39 HydrophobicContact CG2-CD 4.34Å; V37-K39 HydrophobicContact CG2-CG 3.73Å; V37-C104 HydrophobicContact CG2-CB 3.99Å; V37-T138 VanDerWaalsContact O-CB 3.23Å; V37-T138 WeakPolarHBondContact O-CB 3.27Å; V37-T138 WeakPolarHBondContact O-CG2 3.45Å; V37-T138 PolarHBondContact O-OG1 2.91Å
38	G	96.4	Very high	95.2	Very high	13 Å²	13	12.8 Å²	12.8	13%	0.134	8%	0.082	C	C	.	.	S	Bend	trans	84	20.7	174.1	0	0	0	0	0	116.6	A36 T40 S41 L42	A36-G38 PolarHBondContact O-N 2.73Å; G38-T40 PolarHBondContact O-N 3.26Å; G38-S41 PolarHBondContact O-N 3.3Å; G38-L42 WeakPolarHBondContact O-CB 3.46Å; G38-L42 PolarHBondContact O-N 3.38Å
39	K	97.6	Very high	94.7	Very high	11 Å²	11	16 Å²	16	5%	0.048	10%	0.1	C	C	.	.	H	α-helix	trans	-55	-51.5	175	-58.3	-171.8	-60.3	-77	0	112.4	L31 G33 D34 V37 L42 I43 T81 C104	L31-K39 HydrophobicContact CB-CB 4.32Å; L31-K39 HydrophobicContact CB-CD 4.25Å; L31-K39 HydrophobicContact CD2-CB 4.2Å; G33-K39 PolarHBondContact O-NZ 3.09Å; D34-K39 PolarHBondContact O-NZ 3.25Å; V37-K39 HydrophobicContact CG2-CD 4.34Å; V37-K39 HydrophobicContact CG2-CG 3.73Å; K39-L42 WeakPolarHBondContact O-CB 3.16Å; K39-L42 PolarHBondContact O-N 3.01Å; K39-I43 PolarHBondContact O-N 3.37Å; K39-I43 VanDerWaalsContact O-N 3.1Å; K39-T81 WeakPolarHBondContact CE-O 3.32Å; K39-T81 PolarHBondContact NZ-O 3.3Å; K39-C104 HydrophobicContact CD-CB 4.4Å; K39-C104 HydrophobicContact CG-CB 3.95Å
40	T	94.6	Very high	94.2	Very high	21 Å²	21	17.3 Å²	17.3	13%	0.129	12%	0.115	C	C	.	.	H	α-helix	trans	-63.1	-43.8	177.1	-49.1	0	0	0	0	111.9	G38 L42 I43 V44 T58 D80	G38-T40 PolarHBondContact O-N 3.26Å; T40-L42 VanDerWaalsContact C-N 3.26Å; T40-L42 PolarHBondContact O-N 3.13Å; T40-I43 PolarHBondContact O-N 2.95Å; T40-V44 HydrophobicContact CG2-CG2 4.19Å; T40-V44 WeakPolarHBondContact O-CB 3.3Å; T40-V44 VanDerWaalsContact O-CG2 3.3Å; T40-V44 WeakPolarHBondContact O-CG2 3.4Å; T40-V44 PolarHBondContact O-N 3.03Å; T40-T58 PolarHBondContact OG1-OG1 2.75Å; T40-D80 VanDerWaalsContact CA-OD2 3.3Å; T40-D80 WeakPolarHBondContact CA-OD2 3.34Å; T40-D80 WeakPolarHBondContact CB-OD2 3.11Å; T40-D80 WeakPolarHBondContact CG2-OD2 3.43Å; T40-D80 PolarHBondContact OG1-OD1 3.47Å; T40-D80 PolarHBondContact OG1-OD2 2.95Å
41	S	95.4	Very high	93.7	Very high	16 Å²	16	21.5 Å²	21.5	11%	0.112	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-38.5	176.2	-50.9	0	0	0	0	111.9	G38 S45	G38-S41 PolarHBondContact O-N 3.3Å; S41-S45 WeakPolarHBondContact O-CB 3.38Å; S41-S45 PolarHBondContact O-N 3.47Å
42	L	96.5	Very high	93	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-48.7	176	-169.3	72.1	0	0	0	111.5	L31 G38 K39 T40 Y46 V136 C180 L188 V191 F192	L31-L42 HydrophobicContact CD2-CD2 4.02Å; G38-L42 WeakPolarHBondContact O-CB 3.46Å; G38-L42 PolarHBondContact O-N 3.38Å; K39-L42 WeakPolarHBondContact O-CB 3.16Å; K39-L42 PolarHBondContact O-N 3.01Å; T40-L42 VanDerWaalsContact C-N 3.26Å; T40-L42 PolarHBondContact O-N 3.13Å; L42-Y46 WeakPolarHBondContact O-CB 3.4Å; L42-Y46 PolarHBondContact O-N 3.19Å; L42-V136 HydrophobicContact CD2-CG1 4.36Å; L42-C180 VanDerWaalsContact CD1-SG 3.51Å; L42-L188 HydrophobicContact CD1-CD1 3.4Å; L42-L188 VanDerWaalsContact CD1-CD1 3.4Å; L42-L188 HydrophobicContact CG-CD1 4.14Å; L42-V191 HydrophobicContact CD2-CG1 4.24Å; L42-F192 HydrophobicContact CD2-CE2 4.48Å; L42-F192 HydrophobicContact CD2-CZ 4.3Å; L42-F192 HydrophobicContact CG-CE2 3.99Å; L42-F192 HydrophobicContact CG-CZ 4.04Å
43	I	94.9	Very high	92.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-48	178.2	-64.7	167.7	0	0	0	111.1	L31 K39 T40 S45 Y46 T47 Y63 L78 D80	L31-I43 HydrophobicContact CD1-CD1 3.85Å; L31-I43 HydrophobicContact CD1-CG1 4.04Å; L31-I43 HydrophobicContact CD2-CD1 3.73Å; L31-I43 HydrophobicContact CD2-CG1 3.56Å; L31-I43 HydrophobicContact CG-CD1 4.24Å; L31-I43 HydrophobicContact CG-CG1 4.4Å; K39-I43 PolarHBondContact O-N 3.37Å; K39-I43 VanDerWaalsContact O-N 3.1Å; T40-I43 PolarHBondContact O-N 2.95Å; I43-S45 PolarHBondContact O-N 2.89Å; I43-Y46 PolarHBondContact O-N 3.48Å; I43-T47 HydrophobicContact CG2-CG2 4.06Å; I43-T47 WeakPolarHBondContact O-CB 3.08Å; I43-T47 VanDerWaalsContact O-CG2 3.27Å; I43-T47 WeakPolarHBondContact O-CG2 3.12Å; I43-T47 PolarHBondContact O-N 2.55Å; I43-T47 PolarHBondContact O-OG1 3.31Å; I43-Y63 HydrophobicContact CD1-CD2 4.43Å; I43-Y63 HydrophobicContact CD1-CE2 4.49Å; I43-Y63 HydrophobicContact CG2-CD1 3.75Å; I43-Y63 HydrophobicContact CG2-CD2 3.47Å; I43-Y63 VanDerWaalsContact CG2-CD2 3.47Å; I43-Y63 HydrophobicContact CG2-CE1 4.05Å; I43-Y63 HydrophobicContact CG2-CE2 3.79Å; I43-Y63 HydrophobicContact CG2-CG 3.49Å; I43-Y63 VanDerWaalsContact CG2-CG 3.49Å; I43-L78 HydrophobicContact CD1-CB 4.41Å; I43-L78 HydrophobicContact CG1-CB 4.46Å; I43-L78 HydrophobicContact CG1-CD1 4.41Å; I43-L78 HydrophobicContact CG2-CB 4.36Å; I43-L78 HydrophobicContact CG2-CD1 3.89Å; I43-D80 HydrophobicContact CD1-CB 3.45Å; I43-D80 VanDerWaalsContact CD1-CB 3.45Å
44	V	92.3	Very high	91.6	Very high	18 Å²	18	38.2 Å²	38.2	11%	0.109	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-45.7	-178.8	172.5	0	0	0	0	110.4	T40 Y46 T47 T48 G50 P52 Y63	T40-V44 HydrophobicContact CG2-CG2 4.19Å; T40-V44 WeakPolarHBondContact O-CB 3.3Å; T40-V44 VanDerWaalsContact O-CG2 3.3Å; T40-V44 WeakPolarHBondContact O-CG2 3.4Å; T40-V44 PolarHBondContact O-N 3.03Å; V44-Y46 VanDerWaalsContact C-N 3.34Å; V44-Y46 PolarHBondContact O-N 3.16Å; V44-T47 PolarHBondContact O-N 3.37Å; V44-T47 PolarHBondContact O-OG1 3.33Å; V44-T48 HydrophobicContact CG1-CG2 4.45Å; V44-T48 WeakPolarHBondContact O-CB 3.33Å; V44-T48 PolarHBondContact O-N 3.2Å; V44-T48 PolarHBondContact O-OG1 3.25Å; V44-G50 CarbonylContact C-O 3.56Å; V44-P52 HydrophobicContact CG1-CB 4.48Å; V44-Y63 HydrophobicContact CG2-CE1 4.47Å
45	S	93.6	Very high	90.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-45.9	176.4	-165.5	0	0	0	0	111.9	S41 I43 N49 G50 A182 L188	S41-S45 WeakPolarHBondContact O-CB 3.38Å; S41-S45 PolarHBondContact O-N 3.47Å; I43-S45 PolarHBondContact O-N 2.89Å; S45-N49 VanDerWaalsContact O-CA 3.31Å; S45-N49 WeakPolarHBondContact O-CA 3.34Å; S45-N49 PolarHBondContact O-N 3.28Å; S45-G50 WeakPolarHBondContact CA-O 3.44Å; S45-G50 PolarHBondContact N-O 2.66Å; S45-A182 WeakPolarHBondContact CB-O 3.37Å; S45-A182 PolarHBondContact OG-O 3.43Å; S45-L188 VanDerWaalsContact OG-CD2 3.29Å; S45-L188 WeakPolarHBondContact OG-CD2 3.31Å
46	Y	94	Very high	90.1	Very high	8 Å²	8	44 Å²	44	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-67.3	-41.4	179.3	176.9	-110.3	0	0	0	113.4	L42 I43 V44 V65 L76 L78 F192 V212 H214	L42-Y46 WeakPolarHBondContact O-CB 3.4Å; L42-Y46 PolarHBondContact O-N 3.19Å; I43-Y46 PolarHBondContact O-N 3.48Å; V44-Y46 VanDerWaalsContact C-N 3.34Å; V44-Y46 PolarHBondContact O-N 3.16Å; Y46-V65 HydrophobicContact CE1-CG2 4.05Å; Y46-L76 HydrophobicContact CE1-CD2 4.22Å; Y46-L78 HydrophobicContact CD1-CD1 3.99Å; Y46-L78 HydrophobicContact CE1-CD1 4.34Å; Y46-F192 AromaticContact CD1-CD1 3.95Å; Y46-F192 HydrophobicContact CD1-CD1 3.95Å; Y46-F192 AromaticContact CD1-CD2 3.7Å; Y46-F192 HydrophobicContact CD1-CD2 3.7Å; Y46-F192 HydrophobicContact CD1-CE1 4.03Å; Y46-F192 AromaticContact CD1-CE2 3.81Å; Y46-F192 HydrophobicContact CD1-CE2 3.81Å; Y46-F192 AromaticContact CD1-CG 3.78Å; Y46-F192 HydrophobicContact CD1-CG 3.78Å; Y46-F192 AromaticContact CD1-CZ 3.96Å; Y46-F192 HydrophobicContact CD1-CZ 3.96Å; Y46-F192 HydrophobicContact CD2-CB 4.14Å; Y46-F192 AromaticContact CD2-CD2 3.23Å; Y46-F192 HydrophobicContact CD2-CD2 3.23Å; Y46-F192 AromaticContact CD2-CE2 3.79Å; Y46-F192 HydrophobicContact CD2-CE2 3.79Å; Y46-F192 AromaticContact CD2-CG 3.81Å; Y46-F192 HydrophobicContact CD2-CG 3.81Å; Y46-F192 HydrophobicContact CE1-CB 4Å; Y46-F192 AromaticContact CE1-CD1 3.9Å; Y46-F192 HydrophobicContact CE1-CD1 3.9Å; Y46-F192 HydrophobicContact CE1-CD2 4.05Å; Y46-F192 HydrophobicContact CE1-CE1 4.41Å; Y46-F192 AromaticContact CE1-CG 3.7Å; Y46-F192 HydrophobicContact CE1-CG 3.7Å; Y46-F192 HydrophobicContact CE2-CB 3.57Å; Y46-F192 AromaticContact CE2-CD2 3.62Å; Y46-F192 HydrophobicContact CE2-CD2 3.62Å; Y46-F192 AromaticContact CE2-CG 3.72Å; Y46-F192 HydrophobicContact CE2-CG 3.72Å; Y46-F192 HydrophobicContact CG-CD1 4.36Å; Y46-F192 AromaticContact CG-CD2 3.26Å; Y46-F192 HydrophobicContact CG-CD2 3.26Å; Y46-F192 HydrophobicContact CG-CE1 4.41Å; Y46-F192 AromaticContact CG-CE2 3.35Å; Y46-F192 HydrophobicContact CG-CE2 3.35Å; Y46-F192 AromaticContact CG-CG 3.82Å; Y46-F192 HydrophobicContact CG-CG 3.82Å; Y46-F192 AromaticContact CG-CZ 3.94Å; Y46-F192 HydrophobicContact CG-CZ 3.94Å; Y46-F192 VanDerWaalsContact CZ-CB 3.49Å; Y46-F192 AromaticContact CZ-CG 3.67Å; Y46-V212 HydrophobicContact CE2-CG1 4.31Å; Y46-V212 HydrophobicContact CE2-CG2 3.79Å; Y46-V212 VanDerWaalsContact OH-CG2 3.25Å; Y46-V212 WeakPolarHBondContact OH-CG2 3.29Å; Y46-H214 PolarHBondContact O-CE1 3.18Å; Y46-H214 PolarHBondContact O-ND1 3.04Å
47	T	90.2	Very high	89.6	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-81.7	-32	-174.1	57	0	0	0	0	113	I43 V44 V65 L78 H214	I43-T47 HydrophobicContact CG2-CG2 4.06Å; I43-T47 WeakPolarHBondContact O-CB 3.08Å; I43-T47 VanDerWaalsContact O-CG2 3.27Å; I43-T47 WeakPolarHBondContact O-CG2 3.12Å; I43-T47 PolarHBondContact O-N 2.55Å; I43-T47 PolarHBondContact O-OG1 3.31Å; V44-T47 PolarHBondContact O-N 3.37Å; V44-T47 PolarHBondContact O-OG1 3.33Å; T47-V65 HydrophobicContact CG2-CG1 3.42Å; T47-V65 VanDerWaalsContact CG2-CG1 3.42Å; T47-L78 HydrophobicContact CG2-CD1 3.88Å; T47-H214 PolarHBondContact O-ND1 3Å
48	T	87.1	Confident	88.8	Confident	72 Å²	72	45.1 Å²	45.1	44%	0.442	24%	0.236	S	C	.	.	H	α-helix	trans	-110.2	-5.7	-172.3	69.5	0	0	0	0	114.5	V44 G50	V44-T48 HydrophobicContact CG1-CG2 4.45Å; V44-T48 WeakPolarHBondContact O-CB 3.33Å; V44-T48 PolarHBondContact O-N 3.2Å; V44-T48 PolarHBondContact O-OG1 3.25Å; T48-G50 PolarHBondContact O-N 3.3Å; T48-G50 PolarHBondContact OG1-N 3.02Å; T48-G50 PolarHBondContact OG1-O 2.88Å
49	N	84.9	Confident	88	Confident	101 Å²	101	45.1 Å²	45.1	54%	0.54	24%	0.235	S	C	.	.	S	Bend	trans	54.1	33.6	-169.4	-162.9	32.9	0	0	0	112.5	S45 Q185	S45-N49 VanDerWaalsContact O-CA 3.31Å; S45-N49 WeakPolarHBondContact O-CA 3.34Å; S45-N49 PolarHBondContact O-N 3.28Å; N49-Q185 PolarHBondContact OD1-NE2 3.24Å; N49-Q185 PolarHBondContact OD1-OE1 3.38Å
50	G	86.8	Confident	87.2	Confident	29 Å²	29	47.1 Å²	47.1	30%	0.299	24%	0.244	S	C	.	.	S	Bend	trans	-152.6	157.3	-176.5	0	0	0	0	0	112.2	V44 S45 T48	V44-G50 CarbonylContact C-O 3.56Å; S45-G50 WeakPolarHBondContact CA-O 3.44Å; S45-G50 PolarHBondContact N-O 2.66Å; T48-G50 PolarHBondContact O-N 3.3Å; T48-G50 PolarHBondContact OG1-N 3.02Å; T48-G50 PolarHBondContact OG1-O 2.88Å
51	Y	86	Confident	86.8	Confident	87 Å²	87	46.2 Å²	46.2	34%	0.341	24%	0.238	S	C	.	.			trans	-103.6	138.1	-175.3	-169.3	-95.2	0	0	0	111.5	Q53 A182 L183	Y51-Q53 PolarHBondContact O-N 3.43Å; Y51-Q53 PolarHBondContact O-NE2 3.35Å; Y51-A182 HydrophobicContact CD2-CB 4.16Å; Y51-A182 WeakPolarHBondContact CD2-O 3.29Å; Y51-A182 HydrophobicContact CE2-CB 3.84Å; Y51-L183 HydrophobicContact CD1-CD1 3.98Å; Y51-L183 VanDerWaalsContact CD2-CA 3.49Å; Y51-L183 HydrophobicContact CD2-CB 4.13Å; Y51-L183 HydrophobicContact CD2-CD1 4.26Å; Y51-L183 HydrophobicContact CE1-CD1 4.18Å; Y51-L183 HydrophobicContact CE2-CB 3.86Å; Y51-L183 HydrophobicContact CE2-CD1 4.4Å; Y51-L183 HydrophobicContact CG-CD1 4.01Å
52	P	83.8	Confident	86.4	Confident	27 Å²	27	49 Å²	49	18%	0.175	25%	0.252	C	S	.	.			trans	-64.4	125	176.5	27.3	-34	0	0	0	110.6	V44	V44-P52 HydrophobicContact CG1-CB 4.48Å
53	Q	83.2	Confident	86.2	Confident	176 Å²	176	49.2 Å²	49.2	82%	0.822	25%	0.253	S	S	*	.	S	Bend	trans	-76.6	-25.4	-179.5	-61	-59.6	-39.5	0	0	112.9	Y51	Y51-Q53 PolarHBondContact O-N 3.43Å; Y51-Q53 PolarHBondContact O-NE2 3.35Å
54	E	83.4	Confident	86	Confident	149 Å²	149	51.3 Å²	51.3	70%	0.696	27%	0.268	S	S	*	.	S	Bend	trans	-122.1	134	-179.1	-66.6	-178.9	-179.2	0	0	110.8	V56	E54-V56 PolarHBondContact O-N 3.41Å
55	Y	79.2	Confident	85.9	Confident	127 Å²	127	50.6 Å²	50.6	50%	0.498	26%	0.263	S	S	.	.			trans	-77.4	118.1	170.2	-179.6	-108.2	0	0	0	110.1	P57	Y55-P57 HydrophobicContact CE1-CG 3.85Å
56	V	80.8	Confident	85.8	Confident	32 Å²	32	53.3 Å²	53.3	19%	0.194	28%	0.277	C	S	.	.			trans	-124.7	125	166.8	-173.6	0	0	0	0	109	E54 T58 R223	E54-V56 PolarHBondContact O-N 3.41Å; V56-T58 PolarHBondContact O-N 2.89Å; V56-R223 HydrophobicContact CB-CG 4.27Å; V56-R223 HydrophobicContact CG1-CB 3.76Å; V56-R223 VanDerWaalsContact CG1-CD 3.49Å; V56-R223 HydrophobicContact CG1-CG 3.64Å
57	P	82.6	Confident	85.6	Confident	48 Å²	48	52.9 Å²	52.9	31%	0.312	28%	0.276	S	S	.	.			trans	-54.7	128.7	176	-26.9	34.6	0	0	0	112.2	Y55	Y55-P57 HydrophobicContact CE1-CG 3.85Å
58	T	82	Confident	85.6	Confident	9 Å²	9	54 Å²	54	6%	0.055	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-79.7	130.5	175.8	-56.4	0	0	0	0	109.3	T40 V56 D80 A82	T40-T58 PolarHBondContact OG1-OG1 2.75Å; V56-T58 PolarHBondContact O-N 2.89Å; T58-D80 HydrophobicContact CG2-CB 4.25Å; T58-A82 WeakPolarHBondContact O-CA 3.35Å; T58-A82 WeakPolarHBondContact O-CB 3.19Å
59	A	80.1	Confident	85.7	Confident	13 Å²	13	50.8 Å²	50.8	11%	0.107	26%	0.262	C	S	.	.	S	Bend	trans	-85.2	-57	162	0	0	0	0	0	109.1	A82 F87 L90 R222	A59-A82 WeakPolarHBondContact O-CB 3.3Å; A59-A82 PolarHBondContact O-N 3.13Å; A59-F87 HydrophobicContact CB-CD1 4Å; A59-F87 HydrophobicContact CB-CE1 3.49Å; A59-F87 VanDerWaalsContact CB-CE1 3.49Å; A59-F87 HydrophobicContact CB-CZ 4.08Å; A59-L90 HydrophobicContact CB-CD2 4.43Å; A59-R222 WeakPolarHBondContact CB-O 3.48Å
60	F	80.9	Confident	85.8	Confident	52 Å²	52	49.4 Å²	49.4	23%	0.228	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	136.5	175.3	170.1	-107.7	0	0	0	109.9	N62 C79 D80 L90 C94	F60-N62 WeakPolarHBondContact CE1-ND2 3.39Å; F60-N62 WeakPolarHBondContact CZ-ND2 3.33Å; F60-N62 WeakPolarHBondContact CZ-OD1 3.3Å; F60-C79 HydrophobicContact CE2-CB 4.47Å; F60-D80 WeakPolarHBondContact CD2-O 3.22Å; F60-L90 HydrophobicContact CB-CD2 3.67Å; F60-L90 HydrophobicContact CB-CG 4.06Å; F60-C94 WeakPolarHBondContact CD2-SG 3.46Å; F60-C94 HydrophobicContact CE2-CB 4.33Å; F60-C94 WeakPolarHBondContact CE2-SG 3.23Å
61	D	85	Confident	85.8	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.011	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.5	171.2	-73.3	-28.4	0	0	0	110.7	Y63 D80 M221 R222	D61-Y63 HydrophobicContact CB-CD2 4.19Å; D61-Y63 HydrophobicContact CB-CE2 3.4Å; D61-Y63 PolarHBondContact OD2-OH 3.37Å; D61-D80 HydrophobicContact CB-CB 4.17Å; D61-D80 PolarHBondContact N-O 3.32Å; D61-D80 PolarHBondContact O-N 2.91Å; D61-M221 VanDerWaalsContact OD1-CA 3.29Å; D61-M221 WeakPolarHBondContact OD1-CA 3.38Å; D61-R222 PolarHBondContact OD1-N 3.19Å
62	N	87.9	Confident	85.9	Confident	76 Å²	76	59.4 Å²	59.4	41%	0.406	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.7	170.7	-77.7	-36.8	0	0	0	109.9	F60 L78 C79	F60-N62 WeakPolarHBondContact CE1-ND2 3.39Å; F60-N62 WeakPolarHBondContact CZ-ND2 3.33Å; F60-N62 WeakPolarHBondContact CZ-OD1 3.3Å; N62-L78 WeakPolarHBondContact CA-O 3.46Å; N62-C79 PolarHBondContact OD1-SG 3.48Å
63	Y	90.8	Very high	86.2	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.016	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.9	174.7	-56.5	-109.4	0	0	0	109	I43 V44 D61 Q77 L78 D80 A217 L219	I43-Y63 HydrophobicContact CD1-CD2 4.43Å; I43-Y63 HydrophobicContact CD1-CE2 4.49Å; I43-Y63 HydrophobicContact CG2-CD1 3.75Å; I43-Y63 HydrophobicContact CG2-CD2 3.47Å; I43-Y63 VanDerWaalsContact CG2-CD2 3.47Å; I43-Y63 HydrophobicContact CG2-CE1 4.05Å; I43-Y63 HydrophobicContact CG2-CE2 3.79Å; I43-Y63 HydrophobicContact CG2-CG 3.49Å; I43-Y63 VanDerWaalsContact CG2-CG 3.49Å; V44-Y63 HydrophobicContact CG2-CE1 4.47Å; D61-Y63 HydrophobicContact CB-CD2 4.19Å; D61-Y63 HydrophobicContact CB-CE2 3.4Å; D61-Y63 PolarHBondContact OD2-OH 3.37Å; Y63-Q77 CarbonylContact O-C 3.45Å; Y63-Q77 WeakPolarHBondContact O-CA 3.13Å; Y63-L78 PolarHBondContact N-O 3.34Å; Y63-L78 PolarHBondContact O-N 2.85Å; Y63-D80 HydrophobicContact CE2-CB 4.05Å; Y63-A217 HydrophobicContact CD1-CB 3.88Å; Y63-L219 HydrophobicContact CE1-CD2 3.51Å
64	S	90.8	Very high	86.5	Confident	45 Å²	45	54.5 Å²	54.5	32%	0.315	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125	172.9	-173.3	0	0	0	0	109.4	R75 L76	S64-R75 WeakPolarHBondContact OG-CD 3.4Å; S64-R75 VanDerWaalsContact OG-CG 3.28Å; S64-R75 WeakPolarHBondContact OG-CG 3.27Å; S64-R75 PolarHBondContact OG-NH1 3.33Å; S64-L76 WeakPolarHBondContact CA-O 3.5Å
65	V	90.9	Very high	86.9	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.4	175.1	-64.8	0	0	0	0	110.5	Y46 T47 V67 L76	Y46-V65 HydrophobicContact CE1-CG2 4.05Å; T47-V65 HydrophobicContact CG2-CG1 3.42Å; T47-V65 VanDerWaalsContact CG2-CG1 3.42Å; V65-V67 HydrophobicContact CG2-CG1 4.28Å; V65-L76 HydrophobicContact CG2-CB 3.87Å; V65-L76 HydrophobicContact CG2-CD2 4.1Å; V65-L76 HydrophobicContact CG2-CG 4.32Å; V65-L76 PolarHBondContact N-O 3.26Å; V65-L76 PolarHBondContact O-N 3.24Å
66	L	91.2	Very high	87.7	Confident	58 Å²	58	46.6 Å²	46.6	30%	0.304	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.2	173.6	-168.2	71.6	0	0	0	108.3	P73 H213	L66-P73 HydrophobicContact CD1-CB 4.04Å; L66-P73 HydrophobicContact CD2-CB 4.43Å; L66-P73 HydrophobicContact CG-CB 4.37Å; L66-H213 HydrophobicContact CB-CB 4.33Å; L66-H213 WeakPolarHBondContact O-CB 3.32Å; L66-H213 PolarHBondContact O-N 3.29Å
67	V	91.2	Very high	88.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.4	174.9	-60.8	0	0	0	0	108.4	V65 V69 P73 I74 L76 I196 F211 V212	V65-V67 HydrophobicContact CG2-CG1 4.28Å; V67-V69 HydrophobicContact CG2-CG2 4.33Å; V67-P73 CarbonylContact O-C 3.6Å; V67-I74 HydrophobicContact CG2-CB 4.14Å; V67-I74 WeakPolarHBondContact CG2-O 3.25Å; V67-I74 PolarHBondContact N-O 3.21Å; V67-I74 PolarHBondContact O-N 3.12Å; V67-L76 HydrophobicContact CG2-CB 4.44Å; V67-I196 HydrophobicContact CB-CD1 4.41Å; V67-I196 HydrophobicContact CG1-CD1 4.3Å; V67-I196 HydrophobicContact CG2-CD1 3.93Å; V67-F211 CarbonylContact C-O 3.5Å; V67-F211 VanDerWaalsContact CA-O 3.31Å; V67-F211 WeakPolarHBondContact CA-O 3.42Å; V67-V212 HydrophobicContact CG1-CB 4.45Å; V67-V212 HydrophobicContact CG1-CG1 4.24Å; V67-V212 HydrophobicContact CG1-CG2 4.13Å
68	T	89.8	Confident	88.9	Confident	24 Å²	24	46.2 Å²	46.2	15%	0.147	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.1	172.3	-64.8	0	0	0	0	108.3	D71 R72 I210 F211 H213	T68-D71 VanDerWaalsContact CG2-CA 3.41Å; T68-R72 CarbonylContact C-O 3.58Å; T68-R72 WeakPolarHBondContact CA-O 3.36Å; T68-I210 CarbonylContact O-C 3.54Å; T68-I210 VanDerWaalsContact O-CA 3.24Å; T68-I210 WeakPolarHBondContact O-CA 3.24Å; T68-F211 PolarHBondContact N-O 3.06Å; T68-F211 PolarHBondContact O-N 2.9Å; T68-H213 PolarHBondContact OG1-NE2 2.99Å
69	V	89	Confident	89.5	Confident	5 Å²	5	46 Å²	46	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.1	174.2	-176.9	0	0	0	0	107.9	V67 D71 R72 I74 I196 L200 P208 K209 I210	V67-V69 HydrophobicContact CG2-CG2 4.33Å; V69-D71 VanDerWaalsContact C-N 3.3Å; V69-D71 PolarHBondContact O-N 3.01Å; V69-R72 PolarHBondContact N-O 3.09Å; V69-R72 WeakPolarHBondContact O-CB 3.2Å; V69-R72 PolarHBondContact O-N 3.5Å; V69-I74 HydrophobicContact CB-CD1 3.83Å; V69-I74 HydrophobicContact CG2-CD1 3.8Å; V69-I196 HydrophobicContact CG2-CG2 3.68Å; V69-L200 HydrophobicContact CG1-CD1 4.22Å; V69-P208 HydrophobicContact CG1-CB 4.27Å; V69-K209 CarbonylContact C-O 3.47Å; V69-K209 WeakPolarHBondContact CA-O 3.43Å; V69-I210 HydrophobicContact CG1-CG1 4.3Å; V69-I210 HydrophobicContact CG2-CG1 4.2Å; V69-I210 HydrophobicContact CG2-CG2 4.37Å
70	N	87	Confident	90.2	Very high	72 Å²	72	45.3 Å²	45.3	39%	0.385	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	51.8	-175.9	-61.4	-26.4	0	0	0	112.1	R72 P208 K209	N70-R72 PolarHBondContact O-N 3.41Å; N70-P208 WeakPolarHBondContact OD1-CA 3.43Å; N70-P208 VanDerWaalsContact OD1-CB 3.29Å; N70-P208 WeakPolarHBondContact OD1-CB 3.34Å; N70-K209 PolarHBondContact N-O 3.4Å; N70-K209 PolarHBondContact OD1-N 2.86Å
71	D	86.2	Confident	90.8	Very high	134 Å²	134	42.9 Å²	42.9	72%	0.717	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	8.5	179.9	-51.2	-48.4	0	0	0	115.1	T68 V69	T68-D71 VanDerWaalsContact CG2-CA 3.41Å; V69-D71 VanDerWaalsContact C-N 3.3Å; V69-D71 PolarHBondContact O-N 3.01Å
72	R	87.9	Confident	91.2	Very high	193 Å²	193	42.9 Å²	42.9	73%	0.728	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.2	174.7	-62.7	-176.6	-177.5	-149.4	-0.9	111.1	T68 V69 N70 I74	T68-R72 CarbonylContact C-O 3.58Å; T68-R72 WeakPolarHBondContact CA-O 3.36Å; V69-R72 PolarHBondContact N-O 3.09Å; V69-R72 WeakPolarHBondContact O-CB 3.2Å; V69-R72 PolarHBondContact O-N 3.5Å; N70-R72 PolarHBondContact O-N 3.41Å; R72-I74 PolarHBondContact O-N 2.95Å
73	P	89.7	Confident	91.3	Very high	72 Å²	72	39.6 Å²	39.6	47%	0.468	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.2	174.3	28.5	-32.9	0	0	0	110.6	L66 V67	L66-P73 HydrophobicContact CD1-CB 4.04Å; L66-P73 HydrophobicContact CD2-CB 4.43Å; L66-P73 HydrophobicContact CG-CB 4.37Å; V67-P73 CarbonylContact O-C 3.6Å
74	I	90.2	Very high	91.2	Very high	27 Å²	27	41.2 Å²	41.2	14%	0.138	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.1	178.9	-61.5	-178.4	0	0	0	108.1	I27 V67 V69 R72 L200	I27-I74 HydrophobicContact CD1-CG2 3.58Å; I27-I74 HydrophobicContact CG1-CG2 3.77Å; V67-I74 HydrophobicContact CG2-CB 4.14Å; V67-I74 WeakPolarHBondContact CG2-O 3.25Å; V67-I74 PolarHBondContact N-O 3.21Å; V67-I74 PolarHBondContact O-N 3.12Å; V69-I74 HydrophobicContact CB-CD1 3.83Å; V69-I74 HydrophobicContact CG2-CD1 3.8Å; R72-I74 PolarHBondContact O-N 2.95Å; I74-L200 HydrophobicContact CD1-CD1 3.66Å; I74-L200 HydrophobicContact CD1-CD2 4.28Å
75	R	92.8	Very high	91.1	Very high	109 Å²	109	45.3 Å²	45.3	41%	0.411	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	114.3	173.4	-175.3	175.8	-62.1	-77.2	-1.7	109.5	P26 I27 S64	P26-R75 CarbonylContact C-O 3.57Å; P26-R75 WeakPolarHBondContact CA-O 3.47Å; P26-R75 HydrophobicContact CB-CB 4.08Å; P26-R75 HydrophobicContact CB-CG 4.07Å; P26-R75 WeakPolarHBondContact CB-O 3.45Å; I27-R75 PolarHBondContact N-O 3.4Å; S64-R75 WeakPolarHBondContact OG-CD 3.4Å; S64-R75 VanDerWaalsContact OG-CG 3.28Å; S64-R75 WeakPolarHBondContact OG-CG 3.27Å; S64-R75 PolarHBondContact OG-NH1 3.33Å
76	L	94.2	Very high	91.1	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	123	171.3	-178.9	64.9	0	0	0	109.1	I27 C29 Y46 S64 V65 V67 L78 F192 I196	I27-L76 HydrophobicContact CB-CD1 4.1Å; I27-L76 HydrophobicContact CG2-CD1 3.83Å; I27-L76 CarbonylContact O-C 3.47Å; C29-L76 HydrophobicContact CB-CD1 3.98Å; Y46-L76 HydrophobicContact CE1-CD2 4.22Å; S64-L76 WeakPolarHBondContact CA-O 3.5Å; V65-L76 HydrophobicContact CG2-CB 3.87Å; V65-L76 HydrophobicContact CG2-CD2 4.1Å; V65-L76 HydrophobicContact CG2-CG 4.32Å; V65-L76 PolarHBondContact N-O 3.26Å; V65-L76 PolarHBondContact O-N 3.24Å; V67-L76 HydrophobicContact CG2-CB 4.44Å; L76-L78 HydrophobicContact CD1-CD2 4.14Å; L76-L78 HydrophobicContact CD2-CD2 3.65Å; L76-L78 HydrophobicContact CD2-CG 4.32Å; L76-L78 HydrophobicContact CG-CD2 3.67Å; L76-L78 HydrophobicContact CG-CG 4.21Å; L76-F192 HydrophobicContact CD2-CD1 4.38Å; L76-I196 HydrophobicContact CD1-CG1 4.3Å; L76-I196 HydrophobicContact CD2-CD1 4.1Å; L76-I196 HydrophobicContact CD2-CG1 4.06Å
77	Q	94.7	Very high	91.1	Very high	72 Å²	72	49.3 Å²	49.3	34%	0.336	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	118.1	170.8	-72.2	179.5	-19.4	0	0	108.6	P26 I27 C29 Y63	P26-Q77 HydrophobicContact CB-CG 3.89Å; I27-Q77 PolarHBondContact O-N 3.17Å; C29-Q77 PolarHBondContact N-O 3.05Å; Y63-Q77 CarbonylContact O-C 3.45Å; Y63-Q77 WeakPolarHBondContact O-CA 3.13Å
78	L	95.3	Very high	91.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.3	176.5	-53.2	174.3	0	0	0	108.5	C29 I43 Y46 T47 N62 Y63 L76 F192	C29-L78 HydrophobicContact CB-CD2 3.87Å; C29-L78 WeakPolarHBondContact O-CA 3.39Å; I43-L78 HydrophobicContact CD1-CB 4.41Å; I43-L78 HydrophobicContact CG1-CB 4.46Å; I43-L78 HydrophobicContact CG1-CD1 4.41Å; I43-L78 HydrophobicContact CG2-CB 4.36Å; I43-L78 HydrophobicContact CG2-CD1 3.89Å; Y46-L78 HydrophobicContact CD1-CD1 3.99Å; Y46-L78 HydrophobicContact CE1-CD1 4.34Å; T47-L78 HydrophobicContact CG2-CD1 3.88Å; N62-L78 WeakPolarHBondContact CA-O 3.46Å; Y63-L78 PolarHBondContact N-O 3.34Å; Y63-L78 PolarHBondContact O-N 2.85Å; L76-L78 HydrophobicContact CD1-CD2 4.14Å; L76-L78 HydrophobicContact CD2-CD2 3.65Å; L76-L78 HydrophobicContact CD2-CG 4.32Å; L76-L78 HydrophobicContact CG-CD2 3.67Å; L76-L78 HydrophobicContact CG-CG 4.21Å; L78-F192 HydrophobicContact CD1-CD1 4.43Å; L78-F192 HydrophobicContact CD1-CE1 3.82Å; L78-F192 HydrophobicContact CD1-CZ 4.42Å; L78-F192 HydrophobicContact CD2-CD1 3.93Å; L78-F192 HydrophobicContact CD2-CE1 3.66Å; L78-F192 HydrophobicContact CG-CE1 4.39Å
79	C	94.9	Very high	91.2	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.027	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111	174.5	-59.8	0	0	0	0	108.9	C29 V30 L31 F60 N62	C29-C79 PolarHBondContact O-N 2.92Å; V30-C79 HydrophobicContact CB-CB 4.28Å; V30-C79 HydrophobicContact CG1-CB 4.14Å; V30-C79 HydrophobicContact CG2-CB 3.92Å; L31-C79 PolarHBondContact N-O 3.46Å; F60-C79 HydrophobicContact CE2-CB 4.47Å; N62-C79 PolarHBondContact OD1-SG 3.48Å
80	D	94.5	Very high	91.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.2	173	-163.4	7.7	0	0	0	109.7	T40 I43 T58 F60 D61 Y63	T40-D80 VanDerWaalsContact CA-OD2 3.3Å; T40-D80 WeakPolarHBondContact CA-OD2 3.34Å; T40-D80 WeakPolarHBondContact CB-OD2 3.11Å; T40-D80 WeakPolarHBondContact CG2-OD2 3.43Å; T40-D80 PolarHBondContact OG1-OD1 3.47Å; T40-D80 PolarHBondContact OG1-OD2 2.95Å; I43-D80 HydrophobicContact CD1-CB 3.45Å; I43-D80 VanDerWaalsContact CD1-CB 3.45Å; T58-D80 HydrophobicContact CG2-CB 4.25Å; F60-D80 WeakPolarHBondContact CD2-O 3.22Å; D61-D80 HydrophobicContact CB-CB 4.17Å; D61-D80 PolarHBondContact N-O 3.32Å; D61-D80 PolarHBondContact O-N 2.91Å; Y63-D80 HydrophobicContact CE2-CB 4.05Å
81	T	94	Very high	91.6	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.8	-175.4	71.8	0	0	0	0	111.6	V30 L31 K39 R91 C94	V30-T81 HydrophobicContact CG1-CG2 3.76Å; L31-T81 PolarHBondContact O-OG1 3.08Å; K39-T81 WeakPolarHBondContact CE-O 3.32Å; K39-T81 PolarHBondContact NZ-O 3.3Å; T81-R91 HydrophobicContact CG2-CG 3.99Å; T81-C94 HydrophobicContact CG2-CB 4.13Å
82	A	92.4	Very high	92	Very high	2 Å²	2	51 Å²	51	2%	0.017	25%	0.249	C	C	.	.			trans	-59.3	142.1	168.7	0	0	0	0	0	111.1	T58 A59 F87 R91	T58-A82 WeakPolarHBondContact O-CA 3.35Å; T58-A82 WeakPolarHBondContact O-CB 3.19Å; A59-A82 WeakPolarHBondContact O-CB 3.3Å; A59-A82 PolarHBondContact O-N 3.13Å; A82-F87 HydrophobicContact CB-CB 3.37Å; A82-F87 HydrophobicContact CB-CD1 4.33Å; A82-F87 HydrophobicContact CB-CD2 3.52Å; A82-F87 HydrophobicContact CB-CE2 4.38Å; A82-F87 HydrophobicContact CB-CG 3.48Å; A82-F87 VanDerWaalsContact CB-CG 3.48Å; A82-R91 VanDerWaalsContact O-CZ 3.32Å; A82-R91 PolarHBondContact O-NE 3.31Å; A82-R91 PolarHBondContact O-NH2 3.34Å
83	G	89.9	Confident	92.2	Very high	6 Å²	6	47.9 Å²	47.9	6%	0.062	25%	0.246	C	C	.	.			trans	-94.7	-2.3	175.3	0	0	0	0	0	114.4	G33 W120	G33-G83 VanDerWaalsContact O-CA 3.23Å; G33-G83 WeakPolarHBondContact O-CA 3.12Å; G83-W120 WeakPolarHBondContact O-CH2 3.48Å
84	Q	88.8	Confident	92.3	Very high	39 Å²	39	44.8 Å²	44.8	18%	0.182	23%	0.226	C	C	.	.	S	Bend	trans	-89.7	147	-178.1	-54.9	83.2	-10.1	0	0	111.2	D86 F87 R91	Q84-D86 PolarHBondContact O-N 3.04Å; Q84-F87 HydrophobicContact CB-CD2 4.16Å; Q84-F87 PolarHBondContact O-N 3Å; Q84-F87 VanDerWaalsContact O-N 3.15Å; Q84-R91 PolarHBondContact O-NH2 2.94Å
85	E	89	Confident	92.6	Very high	131 Å²	131	43.5 Å²	43.5	61%	0.612	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-58.3	-34.3	-179.6	-74.2	169.7	-164.2	0	0	113.3	F87 D88 R119	E85-F87 PolarHBondContact O-N 3.31Å; E85-D88 WeakPolarHBondContact CA-OD1 3.25Å; E85-D88 WeakPolarHBondContact O-CB 3.41Å; E85-D88 PolarHBondContact O-N 3.08Å; E85-R119 VanDerWaalsContact CG-NH1 3.29Å; E85-R119 IonicContact OE1-CZ 3.86Å; E85-R119 IonicContact OE1-NH1 3.21Å; E85-R119 PolarHBondContact OE1-NH1 2.84Å; E85-R119 IonicContact OE1-NH2 2.81Å
86	D	90.6	Very high	92.5	Very high	109 Å²	109	41.4 Å²	41.4	58%	0.583	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-55.6	-18.7	177.8	-58.9	-25.1	0	0	0	113.7	Q84	Q84-D86 PolarHBondContact O-N 3.04Å
87	F	91.4	Very high	92.3	Very high	34 Å²	34	47 Å²	47	15%	0.149	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-111.9	12	-178.2	-62.9	-80.6	0	0	0	113.7	A59 A82 Q84 E85 T89 L90 R91 L224	A59-F87 HydrophobicContact CB-CD1 4Å; A59-F87 HydrophobicContact CB-CE1 3.49Å; A59-F87 VanDerWaalsContact CB-CE1 3.49Å; A59-F87 HydrophobicContact CB-CZ 4.08Å; A82-F87 HydrophobicContact CB-CB 3.37Å; A82-F87 HydrophobicContact CB-CD1 4.33Å; A82-F87 HydrophobicContact CB-CD2 3.52Å; A82-F87 HydrophobicContact CB-CE2 4.38Å; A82-F87 HydrophobicContact CB-CG 3.48Å; A82-F87 VanDerWaalsContact CB-CG 3.48Å; Q84-F87 HydrophobicContact CB-CD2 4.16Å; Q84-F87 PolarHBondContact O-N 3Å; Q84-F87 VanDerWaalsContact O-N 3.15Å; E85-F87 PolarHBondContact O-N 3.31Å; F87-T89 VanDerWaalsContact C-N 3.34Å; F87-T89 PolarHBondContact O-N 2.63Å; F87-L90 HydrophobicContact CD1-CD2 4.19Å; F87-L90 PolarHBondContact O-N 3.11Å; F87-L90 VanDerWaalsContact O-N 3.12Å; F87-R91 WeakPolarHBondContact O-CB 3.44Å; F87-R91 PolarHBondContact O-N 3.24Å; F87-L224 HydrophobicContact CZ-CD2 4.38Å
88	D	92.6	Very high	92.3	Very high	43 Å²	43	44.2 Å²	44.2	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-55	-47.3	-178.3	-76.6	-0.1	0	0	0	112.1	E85 L90 R91 H92 R119	E85-D88 WeakPolarHBondContact CA-OD1 3.25Å; E85-D88 WeakPolarHBondContact O-CB 3.41Å; E85-D88 PolarHBondContact O-N 3.08Å; D88-L90 VanDerWaalsContact C-N 3.34Å; D88-L90 PolarHBondContact O-N 2.93Å; D88-R91 PolarHBondContact O-N 3.1Å; D88-R91 IonicContact OD1-CZ 2.94Å; D88-R91 VanDerWaalsContact OD1-CZ 3.25Å; D88-R91 IonicContact OD1-NH1 3.68Å; D88-R91 PolarHBondContact OD1-NH1 3.49Å; D88-R91 IonicContact OD1-NH2 2.79Å; D88-R91 PolarHBondContact OD1-NH2 3.31Å; D88-H92 PolarHBondContact O-CD2 3.19Å; D88-H92 PolarHBondContact O-N 2.88Å; D88-H92 PolarHBondContact O-ND1 2.55Å; D88-R119 IonicContact OD1-NH2 2.87Å; D88-R119 PolarHBondContact OD1-NH2 2.92Å; D88-R119 IonicContact OD2-NH2 3.4Å
89	T	91.2	Very high	92.3	Very high	116 Å²	116	46.9 Å²	46.9	71%	0.712	25%	0.25	S	S	*	.	H	α-helix	trans	-58.9	-44.1	177.4	-53.2	0	0	0	0	112.2	F87 H92	F87-T89 VanDerWaalsContact C-N 3.34Å; F87-T89 PolarHBondContact O-N 2.63Å; T89-H92 PolarHBondContact O-N 3.23Å
90	L	89.7	Confident	92.5	Very high	64 Å²	64	46.7 Å²	46.7	34%	0.335	25%	0.249	S	C	.	.	H	α-helix	trans	-66.8	-41.5	178.9	-176.7	60.7	0	0	0	111	A59 F60 F87 D88 H92 L93 C94	A59-L90 HydrophobicContact CB-CD2 4.43Å; F60-L90 HydrophobicContact CB-CD2 3.67Å; F60-L90 HydrophobicContact CB-CG 4.06Å; F87-L90 HydrophobicContact CD1-CD2 4.19Å; F87-L90 PolarHBondContact O-N 3.11Å; F87-L90 VanDerWaalsContact O-N 3.12Å; D88-L90 VanDerWaalsContact C-N 3.34Å; D88-L90 PolarHBondContact O-N 2.93Å; L90-H92 VanDerWaalsContact C-N 3.35Å; L90-H92 PolarHBondContact O-N 3.29Å; L90-L93 HydrophobicContact CD1-CD1 4.44Å; L90-L93 WeakPolarHBondContact O-CB 3.43Å; L90-L93 PolarHBondContact O-N 3.23Å; L90-C94 PolarHBondContact O-SG 2.85Å
91	R	94.6	Very high	92.6	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.011	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-41.6	176.2	-171.9	178.3	-30.1	98.3	7.9	112	T81 A82 Q84 F87 D88 L93 C94 Y95 E123	T81-R91 HydrophobicContact CG2-CG 3.99Å; A82-R91 VanDerWaalsContact O-CZ 3.32Å; A82-R91 PolarHBondContact O-NE 3.31Å; A82-R91 PolarHBondContact O-NH2 3.34Å; Q84-R91 PolarHBondContact O-NH2 2.94Å; F87-R91 WeakPolarHBondContact O-CB 3.44Å; F87-R91 PolarHBondContact O-N 3.24Å; D88-R91 PolarHBondContact O-N 3.1Å; D88-R91 IonicContact OD1-CZ 2.94Å; D88-R91 VanDerWaalsContact OD1-CZ 3.25Å; D88-R91 IonicContact OD1-NH1 3.68Å; D88-R91 PolarHBondContact OD1-NH1 3.49Å; D88-R91 IonicContact OD1-NH2 2.79Å; D88-R91 PolarHBondContact OD1-NH2 3.31Å; R91-L93 PolarHBondContact O-N 3.37Å; R91-C94 WeakPolarHBondContact O-CA 3.23Å; R91-C94 WeakPolarHBondContact O-CB 3.4Å; R91-C94 PolarHBondContact O-N 3.2Å; R91-Y95 WeakPolarHBondContact CD-OH 3.2Å; R91-Y95 HydrophobicContact CG-CE1 4.12Å; R91-Y95 HydrophobicContact CG-CE2 4.46Å; R91-Y95 WeakPolarHBondContact CG-OH 3.46Å; R91-E123 WeakPolarHBondContact CD-OE1 2.84Å; R91-E123 IonicContact CZ-OE1 3.93Å; R91-E123 IonicContact NH1-OE1 2.99Å; R91-E123 PolarHBondContact NH1-OE1 3.13Å; R91-E123 IonicContact NH1-OE2 3.38Å; R91-E123 PolarHBondContact NH1-OE2 2.92Å
92	H	94.2	Very high	92.9	Very high	46 Å²	46	46.7 Å²	46.7	21%	0.213	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-32.1	178.7	-63.7	156.6	0	0	0	113	D88 T89 L90 C94 Y95 P96 E123 Y127	D88-H92 PolarHBondContact O-CD2 3.19Å; D88-H92 PolarHBondContact O-N 2.88Å; D88-H92 PolarHBondContact O-ND1 2.55Å; T89-H92 PolarHBondContact O-N 3.23Å; L90-H92 VanDerWaalsContact C-N 3.35Å; L90-H92 PolarHBondContact O-N 3.29Å; H92-C94 PolarHBondContact O-N 3.06Å; H92-Y95 AromaticContact CD2-CE2 3.65Å; H92-Y95 PolarHBondContact O-N 2.69Å; H92-P96 WeakPolarHBondContact O-CD 3.46Å; H92-E123 IonicContact CD2-OE1 3.89Å; H92-E123 IonicContact NE2-OE1 3.77Å; H92-Y127 HydrophobicContact CB-CE1 4.14Å; H92-Y127 HydrophobicContact CB-CE2 4.4Å; H92-Y127 AromaticContact CD2-CE2 3.45Å; H92-Y127 VanDerWaalsContact CD2-CE2 3.45Å; H92-Y127 WeakPolarHBondContact CD2-CE2 3.44Å; H92-Y127 AromaticContact CD2-CZ 3.68Å; H92-Y127 PolarHBondContact CE1-OH 2.91Å; H92-Y127 AromaticContact CG-CE2 3.83Å; H92-Y127 AromaticContact CG-CZ 3.54Å; H92-Y127 AromaticContact ND1-CZ 3.87Å; H92-Y127 PolarHBondContact ND1-OH 2.76Å; H92-Y127 AromaticContact NE2-CE2 3.72Å
93	L	91.7	Very high	93.2	Very high	127 Å²	127	46.6 Å²	46.6	67%	0.665	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-19.8	174.7	-59.6	176.3	0	0	0	112.5	L90 R91	L90-L93 HydrophobicContact CD1-CD1 4.44Å; L90-L93 WeakPolarHBondContact O-CB 3.43Å; L90-L93 PolarHBondContact O-N 3.23Å; R91-L93 PolarHBondContact O-N 3.37Å
94	C	92.8	Very high	93.6	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.041	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-20.6	178.3	-49.1	0	0	0	0	112.9	K28 V30 F60 T81 L90 R91 H92	K28-C94 WeakPolarHBondContact CE-O 3.49Å; K28-C94 PolarHBondContact NZ-O 3.44Å; V30-C94 HydrophobicContact CG1-CB 4.31Å; F60-C94 WeakPolarHBondContact CD2-SG 3.46Å; F60-C94 HydrophobicContact CE2-CB 4.33Å; F60-C94 WeakPolarHBondContact CE2-SG 3.23Å; T81-C94 HydrophobicContact CG2-CB 4.13Å; L90-C94 PolarHBondContact O-SG 2.85Å; R91-C94 WeakPolarHBondContact O-CA 3.23Å; R91-C94 WeakPolarHBondContact O-CB 3.4Å; R91-C94 PolarHBondContact O-N 3.2Å; H92-C94 PolarHBondContact O-N 3.06Å
95	Y	95.1	Very high	94.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.			trans	-74.5	-38.6	-172.6	-63.9	-30.4	0	0	0	116.4	V30 V32 R91 H92 N97 S98 E123 V124 Y127 C128	V30-Y95 HydrophobicContact CG1-CD1 4.24Å; V30-Y95 HydrophobicContact CG1-CE1 4.2Å; V32-Y95 HydrophobicContact CG2-CE1 3.66Å; R91-Y95 WeakPolarHBondContact CD-OH 3.2Å; R91-Y95 HydrophobicContact CG-CE1 4.12Å; R91-Y95 HydrophobicContact CG-CE2 4.46Å; R91-Y95 WeakPolarHBondContact CG-OH 3.46Å; H92-Y95 AromaticContact CD2-CE2 3.65Å; H92-Y95 PolarHBondContact O-N 2.69Å; Y95-N97 PolarHBondContact O-N 2.92Å; Y95-S98 WeakPolarHBondContact O-CB 3.38Å; Y95-S98 PolarHBondContact O-N 2.81Å; Y95-S98 VanDerWaalsContact O-N 3.13Å; Y95-S98 PolarHBondContact O-OG 3.11Å; Y95-E123 HydrophobicContact CE2-CG 4.1Å; Y95-E123 PolarHBondContact OH-OE1 3.23Å; Y95-V124 HydrophobicContact CE1-CG1 3.98Å; Y95-Y127 HydrophobicContact CD2-CD1 4.42Å; Y95-Y127 AromaticContact CD2-CD2 3.39Å; Y95-Y127 HydrophobicContact CD2-CD2 3.39Å; Y95-Y127 HydrophobicContact CD2-CE2 4.05Å; Y95-Y127 AromaticContact CD2-CG 3.61Å; Y95-Y127 HydrophobicContact CD2-CG 3.61Å; Y95-Y127 AromaticContact CE2-CD2 3.85Å; Y95-Y127 HydrophobicContact CE2-CD2 3.85Å; Y95-Y127 HydrophobicContact CE2-CE2 4.26Å; Y95-Y127 HydrophobicContact CE2-CG 4.5Å; Y95-Y127 HydrophobicContact CG-CD2 4.47Å; Y95-Y127 HydrophobicContact CG-CG 4.34Å; Y95-C128 PolarHBondContact O-SG 3.42Å
96	P	91.6	Very high	94.5	Very high	65 Å²	65	38.3 Å²	38.3	42%	0.422	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	136.1	-177.5	-29.5	36	0	0	0	113.2	K28 H92 S98	K28-P96 PolarHBondContact NZ-O 3.33Å; H92-P96 WeakPolarHBondContact O-CD 3.46Å; P96-S98 PolarHBondContact O-N 2.85Å
97	N	89.3	Confident	94.9	Very high	118 Å²	118	33.1 Å²	33.1	63%	0.631	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	25	-179.9	-52.4	-56	0	0	0	115.1	Y95 H99	Y95-N97 PolarHBondContact O-N 2.92Å; N97-H99 PolarHBondContact O-N 3.3Å; N97-H99 PolarHBondContact O-ND1 3.02Å
98	S	94.8	Very high	95.3	Very high	15 Å²	15	32.2 Å²	32.2	11%	0.105	18%	0.178	C	C	.	.			trans	-65.3	130.1	170.8	-59.1	0	0	0	0	110.2	V30 Y95 P96	V30-S98 WeakPolarHBondContact CG2-OG 3.42Å; Y95-S98 WeakPolarHBondContact O-CB 3.38Å; Y95-S98 PolarHBondContact O-N 2.81Å; Y95-S98 VanDerWaalsContact O-N 3.13Å; Y95-S98 PolarHBondContact O-OG 3.11Å; P96-S98 PolarHBondContact O-N 2.85Å
99	H	96.1	Very high	95.5	Very high	55 Å²	55	31.8 Å²	31.8	26%	0.255	18%	0.178	S	C	.	.	S	Bend	trans	-89.3	-26.3	178.7	-59.7	78.9	0	0	0	111.5	P26 I27 K28 N97 P132 A199	P26-H99 PolarHBondContact O-CE1 2.98Å; I27-H99 HydrophobicContact CG2-CB 4.07Å; K28-H99 PolarHBondContact N-ND1 3.01Å; K28-H99 PolarHBondContact O-N 3.47Å; N97-H99 PolarHBondContact O-N 3.3Å; N97-H99 PolarHBondContact O-ND1 3.02Å; H99-P132 WeakPolarHBondContact O-CD 3.49Å; H99-P132 VanDerWaalsContact O-CG 3.31Å; H99-P132 WeakPolarHBondContact O-CG 3.23Å; H99-A199 HydrophobicContact CB-CB 3.82Å
100	V	97.8	Very high	95.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	151.2	175.7	61.8	0	0	0	0	109.9	K28 C29 V30 P132 V134 A195 A198 A199	K28-V100 PolarHBondContact O-N 3.4Å; C29-V100 WeakPolarHBondContact CA-O 3.31Å; C29-V100 HydrophobicContact CB-CG1 3.63Å; V30-V100 PolarHBondContact N-O 3.3Å; V30-V100 VanDerWaalsContact N-O 3.15Å; V100-P132 HydrophobicContact CB-CG 4.16Å; V100-P132 HydrophobicContact CG2-CG 4.16Å; V100-V134 HydrophobicContact CG2-CG2 4.26Å; V100-A195 HydrophobicContact CG1-CB 4.11Å; V100-A195 HydrophobicContact CG2-CB 4.14Å; V100-A198 HydrophobicContact CG2-CB 4.16Å; V100-A199 HydrophobicContact CB-CB 4.06Å; V100-A199 HydrophobicContact CG1-CB 4.01Å
101	L	98.2	Very high	96.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.6	176.8	-59.7	170.8	0	0	0	109.6	V30 V124 C128 A131 P132 V133 V134	V30-L101 HydrophobicContact CB-CD2 3.9Å; V30-L101 HydrophobicContact CG2-CD2 4.47Å; V30-L101 WeakPolarHBondContact O-CA 3.41Å; L101-V124 HydrophobicContact CD1-CB 3.68Å; L101-V124 HydrophobicContact CD1-CG1 4.29Å; L101-V124 HydrophobicContact CD1-CG2 3.75Å; L101-C128 HydrophobicContact CD1-CB 4Å; L101-A131 HydrophobicContact CD1-CB 4.1Å; L101-A131 HydrophobicContact CG-CB 4.11Å; L101-P132 PolarHBondContact N-O 3.04Å; L101-V133 HydrophobicContact CB-CG2 4.14Å; L101-V133 HydrophobicContact CD1-CG2 4.09Å; L101-V133 WeakPolarHBondContact O-CA 3.28Å; L101-V134 PolarHBondContact O-N 2.83Å
102	L	98.7	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	113.4	166.2	-65.3	-174.1	0	0	0	108.2	V30 L31 V32 V134 V136 V191 F192 A195	V30-L102 PolarHBondContact O-N 3.42Å; L31-L102 HydrophobicContact CD1-CD1 4.04Å; L31-L102 HydrophobicContact CD2-CD1 4.3Å; L31-L102 HydrophobicContact CG-CB 3.97Å; L31-L102 HydrophobicContact CG-CD1 3.89Å; L31-L102 HydrophobicContact CG-CG 4.39Å; V32-L102 PolarHBondContact N-O 3.33Å; L102-V134 HydrophobicContact CD2-CB 3.63Å; L102-V134 HydrophobicContact CD2-CG1 4.2Å; L102-V134 HydrophobicContact CD2-CG2 4.11Å; L102-V136 HydrophobicContact CB-CG2 4.31Å; L102-V136 HydrophobicContact CD2-CG2 3.97Å; L102-V191 HydrophobicContact CD1-CG1 3.82Å; L102-V191 HydrophobicContact CD2-CG1 4.13Å; L102-F192 HydrophobicContact CD1-CE1 4.15Å; L102-A195 HydrophobicContact CD2-CB 3.89Å
103	L	98.5	Very high	96.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	101.8	178.3	-157.7	60.4	0	0	0	108.3	V32 V116 W120 L121 V133 V134 L135 V136 I172	V32-L103 HydrophobicContact CB-CD1 4.24Å; V32-L103 HydrophobicContact CG1-CD1 4.38Å; L103-V116 HydrophobicContact CD2-CG1 3.51Å; L103-V116 HydrophobicContact CG-CG1 4.07Å; L103-W120 HydrophobicContact CD1-CB 3.44Å; L103-W120 VanDerWaalsContact CD1-CB 3.44Å; L103-W120 HydrophobicContact CD1-CG 4.4Å; L103-W120 HydrophobicContact CG-CB 4.37Å; L103-L121 HydrophobicContact CD2-CB 4.13Å; L103-L121 HydrophobicContact CD2-CD1 4.45Å; L103-V133 HydrophobicContact CB-CG1 3.86Å; L103-V133 HydrophobicContact CD2-CG1 4.13Å; L103-V134 PolarHBondContact N-O 3.48Å; L103-L135 HydrophobicContact CB-CD1 4.33Å; L103-V136 PolarHBondContact O-N 3.28Å; L103-I172 HydrophobicContact CD2-CD1 4.21Å
104	C	98.8	Very high	97	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.4	-169.5	-57.9	0	0	0	0	111.8	V32 G33 V37 K39 V136 T138	V32-C104 PolarHBondContact O-N 3.39Å; G33-C104 WeakPolarHBondContact CA-O 3.35Å; V37-C104 HydrophobicContact CG2-CB 3.99Å; K39-C104 HydrophobicContact CD-CB 4.4Å; K39-C104 HydrophobicContact CG-CB 3.95Å; C104-V136 WeakPolarHBondContact CA-O 3.39Å; C104-T138 HydrophobicContact CB-CG2 4.33Å
105	F	98.9	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.8	165.3	72.6	-84.4	0	0	0	108.8	V107 F113 V116 L135 V136 G137 T138 V160 A165 Y177	F105-V107 HydrophobicContact CE2-CG1 4.13Å; F105-F113 HydrophobicContact CB-CB 4.42Å; F105-F113 AromaticContact CD1-CD2 3.91Å; F105-F113 HydrophobicContact CD1-CD2 3.91Å; F105-F113 HydrophobicContact CD2-CB 3.63Å; F105-F113 AromaticContact CD2-CD2 3.72Å; F105-F113 HydrophobicContact CD2-CD2 3.72Å; F105-F113 HydrophobicContact CD2-CG 4.09Å; F105-F113 AromaticContact CE1-CD2 3.74Å; F105-F113 HydrophobicContact CE1-CD2 3.74Å; F105-F113 HydrophobicContact CE1-CE2 4.11Å; F105-F113 HydrophobicContact CE2-CB 4.08Å; F105-F113 AromaticContact CE2-CD2 3.56Å; F105-F113 HydrophobicContact CE2-CD2 3.56Å; F105-F113 HydrophobicContact CE2-CE2 4.34Å; F105-F113 HydrophobicContact CE2-CG 4.11Å; F105-F113 HydrophobicContact CG-CB 4.09Å; F105-F113 AromaticContact CG-CD2 3.89Å; F105-F113 HydrophobicContact CG-CD2 3.89Å; F105-F113 HydrophobicContact CG-CG 4.5Å; F105-F113 AromaticContact CZ-CD2 3.58Å; F105-F113 HydrophobicContact CZ-CD2 3.58Å; F105-F113 AromaticContact CZ-CE2 3.96Å; F105-F113 HydrophobicContact CZ-CE2 3.96Å; F105-V116 HydrophobicContact CB-CG2 3.94Å; F105-V116 HydrophobicContact CD1-CG2 4.15Å; F105-V116 HydrophobicContact CG-CG2 4.33Å; F105-L135 HydrophobicContact CD1-CD1 4.04Å; F105-L135 HydrophobicContact CD1-CG 4.39Å; F105-L135 HydrophobicContact CE1-CD1 4.13Å; F105-L135 HydrophobicContact CE1-CD2 4.23Å; F105-L135 HydrophobicContact CE1-CG 4Å; F105-V136 WeakPolarHBondContact CD1-O 3.42Å; F105-V136 PolarHBondContact N-O 3.48Å; F105-G137 CarbonylContact O-C 3.59Å; F105-T138 PolarHBondContact O-N 3.07Å; F105-T138 PolarHBondContact O-OG1 2.75Å; F105-V160 HydrophobicContact CE2-CB 4.03Å; F105-V160 HydrophobicContact CE2-CG1 3.92Å; F105-V160 HydrophobicContact CE2-CG2 4.18Å; F105-V160 HydrophobicContact CZ-CG1 4.33Å; F105-A165 HydrophobicContact CE1-CB 4.45Å; F105-A165 HydrophobicContact CZ-CB 3.84Å; F105-Y177 HydrophobicContact CE1-CD2 4.47Å; F105-Y177 AromaticContact CE1-CE2 3.7Å; F105-Y177 HydrophobicContact CE1-CE2 3.7Å; F105-Y177 AromaticContact CZ-CE2 3.73Å; F105-Y177 HydrophobicContact CZ-CE2 3.73Å
106	S	98.7	Very high	97.4	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.3	172.5	163.9	0	0	0	0	110.1	V108 C109 S112 T138 Q139	S106-V108 PolarHBondContact O-N 2.62Å; S106-V108 VanDerWaalsContact O-N 3.11Å; S106-V108 WeakPolarHBondContact OG-CG2 3.3Å; S106-V108 PolarHBondContact OG-N 3.16Å; S106-C109 PolarHBondContact O-N 3.09Å; S106-S112 PolarHBondContact N-OG 2.84Å; S106-S112 VanDerWaalsContact N-OG 3.08Å; S106-T138 WeakPolarHBondContact CA-OG1 3.34Å; S106-Q139 VanDerWaalsContact CB-OE1 3.3Å; S106-Q139 PolarHBondContact OG-OE1 2.66Å
107	V	98.8	Very high	97.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.1	178.4	-53.3	0	0	0	0	112.6	F105 T138 Q139 C140 R143 P159 V160 E179	F105-V107 HydrophobicContact CE2-CG1 4.13Å; V107-T138 PolarHBondContact N-O 2.85Å; V107-Q139 WeakPolarHBondContact CG2-O 3.42Å; V107-C140 HydrophobicContact CG2-CB 4.43Å; V107-R143 HydrophobicContact CG2-CB 4.4Å; V107-P159 CarbonylContact O-C 3.41Å; V107-P159 VanDerWaalsContact O-CA 3.23Å; V107-P159 WeakPolarHBondContact O-CA 3.45Å; V107-P159 WeakPolarHBondContact O-CB 3.13Å; V107-V160 PolarHBondContact O-N 3.31Å; V107-E179 HydrophobicContact CG1-CG 4.23Å
108	V	98.4	Very high	98.1	Very high	15 Å²	15	22.8 Å²	22.8	9%	0.091	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	13.2	176.1	-60.8	0	0	0	0	113	S106 L142 V148 L152 P159	S106-V108 PolarHBondContact O-N 2.62Å; S106-V108 VanDerWaalsContact O-N 3.11Å; S106-V108 WeakPolarHBondContact OG-CG2 3.3Å; S106-V108 PolarHBondContact OG-N 3.16Å; V108-L142 HydrophobicContact CB-CB 4.42Å; V108-L142 HydrophobicContact CG1-CB 3.67Å; V108-L142 HydrophobicContact CG2-CB 3.95Å; V108-L142 HydrophobicContact CG2-CD1 3.92Å; V108-V148 HydrophobicContact CB-CG1 3.64Å; V108-V148 HydrophobicContact CG1-CG1 3.75Å; V108-V148 HydrophobicContact CG2-CG1 4.2Å; V108-L152 HydrophobicContact CB-CD1 4.44Å; V108-P159 HydrophobicContact CG1-CB 4.41Å; V108-P159 HydrophobicContact CG1-CG 4.47Å
109	C	98	Very high	98.2	Very high	34 Å²	34	24.4 Å²	24.4	23%	0.23	13%	0.133	C	C	.	.			trans	-129.9	86.1	172.1	-174	0	0	0	0	110.6	S106 A111 S112 F113	S106-C109 PolarHBondContact O-N 3.09Å; C109-A111 PolarHBondContact O-N 2.76Å; C109-A111 VanDerWaalsContact O-N 3.17Å; C109-S112 WeakPolarHBondContact O-CB 3.35Å; C109-S112 PolarHBondContact O-N 2.74Å; C109-S112 PolarHBondContact O-OG 3.18Å; C109-F113 PolarHBondContact O-N 2.85Å
110	P	98.2	Very high	98.3	Very high	24 Å²	24	21.8 Å²	21.8	16%	0.156	12%	0.121	C	C	.	.	H	α-helix	trans	-56.6	-31.1	-178.2	-29.2	38.3	0	0	0	114.9	S112 F113 S114 L152 E157 A158 V160	P110-S112 PolarHBondContact O-N 2.95Å; P110-F113 WeakPolarHBondContact O-CB 3.5Å; P110-F113 PolarHBondContact O-N 2.91Å; P110-S114 PolarHBondContact O-N 3.14Å; P110-S114 PolarHBondContact O-OG 3.44Å; P110-L152 HydrophobicContact CG-CD2 4.38Å; P110-E157 HydrophobicContact CG-CB 4.29Å; P110-A158 WeakPolarHBondContact CG-O 2.93Å; P110-V160 HydrophobicContact CB-CG2 4.37Å; P110-V160 HydrophobicContact CG-CG2 4.4Å
111	A	97.9	Very high	98.3	Very high	42 Å²	42	23.1 Å²	23.1	35%	0.347	13%	0.128	S	C	.	.	H	α-helix	trans	-60.6	-43.6	173	0	0	0	0	0	111.9	C109 F113 S114 N115	C109-A111 PolarHBondContact O-N 2.76Å; C109-A111 VanDerWaalsContact O-N 3.17Å; A111-F113 VanDerWaalsContact C-N 3.26Å; A111-F113 PolarHBondContact O-N 2.78Å; A111-S114 WeakPolarHBondContact O-CB 3.38Å; A111-S114 PolarHBondContact O-N 3.4Å; A111-S114 VanDerWaalsContact O-N 3.17Å; A111-N115 VanDerWaalsContact O-CG 3.32Å; A111-N115 PolarHBondContact O-N 3.22Å; A111-N115 PolarHBondContact O-ND2 2.98Å
112	S	98.5	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-32.6	177.9	73.9	0	0	0	0	112.8	D34 S106 C109 P110 N115 V116	D34-S112 VanDerWaalsContact OD2-CA 3.26Å; D34-S112 WeakPolarHBondContact OD2-CA 3.42Å; D34-S112 WeakPolarHBondContact OD2-CB 3.46Å; S106-S112 PolarHBondContact N-OG 2.84Å; S106-S112 VanDerWaalsContact N-OG 3.08Å; C109-S112 WeakPolarHBondContact O-CB 3.35Å; C109-S112 PolarHBondContact O-N 2.74Å; C109-S112 PolarHBondContact O-OG 3.18Å; P110-S112 PolarHBondContact O-N 2.95Å; S112-N115 PolarHBondContact O-N 2.52Å; S112-V116 PolarHBondContact O-N 2.87Å
113	F	98.7	Very high	98.3	Very high	12 Å²	12	27.7 Å²	27.7	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-69.5	-41.7	173.7	178.5	-113.4	0	0	0	112.1	F105 C109 P110 A111 N115 V116 V160 E164 A165 V168	F105-F113 HydrophobicContact CB-CB 4.42Å; F105-F113 AromaticContact CD1-CD2 3.91Å; F105-F113 HydrophobicContact CD1-CD2 3.91Å; F105-F113 HydrophobicContact CD2-CB 3.63Å; F105-F113 AromaticContact CD2-CD2 3.72Å; F105-F113 HydrophobicContact CD2-CD2 3.72Å; F105-F113 HydrophobicContact CD2-CG 4.09Å; F105-F113 AromaticContact CE1-CD2 3.74Å; F105-F113 HydrophobicContact CE1-CD2 3.74Å; F105-F113 HydrophobicContact CE1-CE2 4.11Å; F105-F113 HydrophobicContact CE2-CB 4.08Å; F105-F113 AromaticContact CE2-CD2 3.56Å; F105-F113 HydrophobicContact CE2-CD2 3.56Å; F105-F113 HydrophobicContact CE2-CE2 4.34Å; F105-F113 HydrophobicContact CE2-CG 4.11Å; F105-F113 HydrophobicContact CG-CB 4.09Å; F105-F113 AromaticContact CG-CD2 3.89Å; F105-F113 HydrophobicContact CG-CD2 3.89Å; F105-F113 HydrophobicContact CG-CG 4.5Å; F105-F113 AromaticContact CZ-CD2 3.58Å; F105-F113 HydrophobicContact CZ-CD2 3.58Å; F105-F113 AromaticContact CZ-CE2 3.96Å; F105-F113 HydrophobicContact CZ-CE2 3.96Å; C109-F113 PolarHBondContact O-N 2.85Å; P110-F113 WeakPolarHBondContact O-CB 3.5Å; P110-F113 PolarHBondContact O-N 2.91Å; A111-F113 VanDerWaalsContact C-N 3.26Å; A111-F113 PolarHBondContact O-N 2.78Å; F113-N115 VanDerWaalsContact C-N 3.29Å; F113-N115 PolarHBondContact O-N 2.69Å; F113-V116 VanDerWaalsContact O-CB 3.22Å; F113-V116 WeakPolarHBondContact O-CB 3.3Å; F113-V116 WeakPolarHBondContact O-CG2 3.44Å; F113-V116 PolarHBondContact O-N 2.96Å; F113-V160 HydrophobicContact CB-CG1 4.4Å; F113-V160 HydrophobicContact CB-CG2 3.64Å; F113-V160 HydrophobicContact CD1-CG1 3.7Å; F113-V160 HydrophobicContact CD1-CG2 4.03Å; F113-V160 HydrophobicContact CD2-CG1 3.9Å; F113-V160 HydrophobicContact CE1-CG1 3.82Å; F113-V160 HydrophobicContact CE2-CG1 4Å; F113-V160 HydrophobicContact CG-CB 4.44Å; F113-V160 HydrophobicContact CG-CG1 3.73Å; F113-V160 HydrophobicContact CG-CG2 3.86Å; F113-V160 HydrophobicContact CZ-CG1 3.94Å; F113-E164 HydrophobicContact CE1-CG 3.69Å; F113-E164 HydrophobicContact CZ-CG 4.01Å; F113-A165 HydrophobicContact CE2-CB 3.81Å; F113-A165 HydrophobicContact CZ-CB 4.16Å; F113-V168 HydrophobicContact CE1-CG2 3.99Å; F113-V168 HydrophobicContact CE2-CB 3.98Å; F113-V168 HydrophobicContact CE2-CG1 4.1Å; F113-V168 HydrophobicContact CE2-CG2 4.11Å; F113-V168 HydrophobicContact CZ-CB 3.69Å; F113-V168 HydrophobicContact CZ-CG1 4.19Å; F113-V168 HydrophobicContact CZ-CG2 3.36Å
114	S	98.4	Very high	98.2	Very high	55 Å²	55	27.6 Å²	27.6	39%	0.385	16%	0.155	S	C	.	.	H	α-helix	trans	-60.7	-40	173.7	-60.6	0	0	0	0	111.8	P110 A111 V116 Q117 Q118	P110-S114 PolarHBondContact O-N 3.14Å; P110-S114 PolarHBondContact O-OG 3.44Å; A111-S114 WeakPolarHBondContact O-CB 3.38Å; A111-S114 PolarHBondContact O-N 3.4Å; A111-S114 VanDerWaalsContact O-N 3.17Å; S114-V116 PolarHBondContact O-N 2.82Å; S114-Q117 PolarHBondContact O-N 3.21Å; S114-Q118 WeakPolarHBondContact O-CG 3.37Å; S114-Q118 PolarHBondContact O-N 3.5Å
115	N	98.5	Very high	98.1	Very high	42 Å²	42	30.9 Å²	30.9	23%	0.225	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-20.4	178.8	-72.3	-21.2	0	0	0	113.8	D34 A111 S112 F113 Q117 Q118 R119 W120	D34-N115 WeakPolarHBondContact OD1-CB 3.5Å; D34-N115 PolarHBondContact OD1-ND2 3.2Å; D34-N115 PolarHBondContact OD2-ND2 3.38Å; A111-N115 VanDerWaalsContact O-CG 3.32Å; A111-N115 PolarHBondContact O-N 3.22Å; A111-N115 PolarHBondContact O-ND2 2.98Å; S112-N115 PolarHBondContact O-N 2.52Å; F113-N115 VanDerWaalsContact C-N 3.29Å; F113-N115 PolarHBondContact O-N 2.69Å; N115-Q117 VanDerWaalsContact C-N 3.34Å; N115-Q117 PolarHBondContact O-N 2.86Å; N115-Q118 PolarHBondContact O-N 3.08Å; N115-R119 WeakPolarHBondContact O-CA 3.46Å; N115-R119 WeakPolarHBondContact O-CB 3.31Å; N115-R119 PolarHBondContact O-N 2.98Å; N115-W120 VanDerWaalsContact O-CD1 3.31Å; N115-W120 PolarHBondContact O-N 2.78Å
116	V	98.6	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-53.7	-51.7	172.9	171.6	0	0	0	0	110.7	L103 F105 S112 F113 S114 L121 L135 V168 I172	L103-V116 HydrophobicContact CD2-CG1 3.51Å; L103-V116 HydrophobicContact CG-CG1 4.07Å; F105-V116 HydrophobicContact CB-CG2 3.94Å; F105-V116 HydrophobicContact CD1-CG2 4.15Å; F105-V116 HydrophobicContact CG-CG2 4.33Å; S112-V116 PolarHBondContact O-N 2.87Å; F113-V116 VanDerWaalsContact O-CB 3.22Å; F113-V116 WeakPolarHBondContact O-CB 3.3Å; F113-V116 WeakPolarHBondContact O-CG2 3.44Å; F113-V116 PolarHBondContact O-N 2.96Å; S114-V116 PolarHBondContact O-N 2.82Å; V116-L121 WeakPolarHBondContact O-CB 3.25Å; V116-L121 PolarHBondContact O-N 3.47Å; V116-L135 HydrophobicContact CG1-CD1 3.63Å; V116-L135 HydrophobicContact CG2-CD1 4.14Å; V116-V168 HydrophobicContact CG1-CG1 4.45Å; V116-I172 HydrophobicContact CG1-CD1 4.21Å
117	Q	98.2	Very high	97.8	Very high	56 Å²	56	44.8 Å²	44.8	26%	0.262	22%	0.22	S	C	.	.	I	π-helix	trans	-82.4	-35.7	-179	-66.3	-168.4	-29.6	0	0	112.4	S114 N115 P122 V168 K171 I172	S114-Q117 PolarHBondContact O-N 3.21Å; N115-Q117 VanDerWaalsContact C-N 3.34Å; N115-Q117 PolarHBondContact O-N 2.86Å; Q117-P122 VanDerWaalsContact O-CD 3.26Å; Q117-P122 WeakPolarHBondContact O-CD 3.23Å; Q117-P122 WeakPolarHBondContact O-CG 3.4Å; Q117-V168 HydrophobicContact CG-CG1 4.02Å; Q117-K171 VanDerWaalsContact OE1-NZ 3.16Å; Q117-I172 HydrophobicContact CG-CG2 3.97Å
118	Q	97.8	Very high	97.5	Very high	124 Å²	124	45.2 Å²	45.2	58%	0.579	22%	0.223	S	C	*	.	I	π-helix	trans	-80.2	-28.5	-172	-64.8	179	10.9	0	0	113.7	S114 N115	S114-Q118 WeakPolarHBondContact O-CG 3.37Å; S114-Q118 PolarHBondContact O-N 3.5Å; N115-Q118 PolarHBondContact O-N 3.08Å
119	R	97.3	Very high	97.3	Very high	49 Å²	49	48.9 Å²	48.9	19%	0.185	25%	0.247	C	C	.	.	I	π-helix	trans	-129.6	-61.8	-172.7	177.4	-176.4	176.1	152.4	4.6	112.5	E85 D88 N115 P122 E123	E85-R119 VanDerWaalsContact CG-NH1 3.29Å; E85-R119 IonicContact OE1-CZ 3.86Å; E85-R119 IonicContact OE1-NH1 3.21Å; E85-R119 PolarHBondContact OE1-NH1 2.84Å; E85-R119 IonicContact OE1-NH2 2.81Å; D88-R119 IonicContact OD1-NH2 2.87Å; D88-R119 PolarHBondContact OD1-NH2 2.92Å; D88-R119 IonicContact OD2-NH2 3.4Å; N115-R119 WeakPolarHBondContact O-CA 3.46Å; N115-R119 WeakPolarHBondContact O-CB 3.31Å; N115-R119 PolarHBondContact O-N 2.98Å; R119-P122 WeakPolarHBondContact O-CD 3.48Å; R119-E123 WeakPolarHBondContact O-CB 3.36Å; R119-E123 PolarHBondContact O-N 2.8Å
120	W	98.2	Very high	97	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.279	C	S	.	.	I	π-helix	trans	-70.1	-43.5	-164.2	-60.4	115.1	0	0	0	113	V32 G33 D34 G83 L103 N115 E123 V124	V32-W120 HydrophobicContact CG1-CB 4.32Å; V32-W120 HydrophobicContact CG1-CD2 3.93Å; V32-W120 HydrophobicContact CG1-CE3 3.26Å; V32-W120 HydrophobicContact CG1-CG 4.4Å; V32-W120 HydrophobicContact CG1-CZ3 3.86Å; G33-W120 WeakPolarHBondContact O-CZ2 3.41Å; D34-W120 VanDerWaalsContact OD1-CE2 3.31Å; D34-W120 WeakPolarHBondContact OD1-CZ2 3.24Å; D34-W120 PolarHBondContact OD1-NE1 2.87Å; G83-W120 WeakPolarHBondContact O-CH2 3.48Å; L103-W120 HydrophobicContact CD1-CB 3.44Å; L103-W120 VanDerWaalsContact CD1-CB 3.44Å; L103-W120 HydrophobicContact CD1-CG 4.4Å; L103-W120 HydrophobicContact CG-CB 4.37Å; N115-W120 VanDerWaalsContact O-CD1 3.31Å; N115-W120 PolarHBondContact O-N 2.78Å; W120-E123 PolarHBondContact O-N 2.81Å; W120-V124 WeakPolarHBondContact O-CG1 3.45Å; W120-V124 WeakPolarHBondContact O-CG2 3.28Å; W120-V124 PolarHBondContact O-N 2.82Å
121	L	98	Very high	96.8	Very high	28 Å²	28	57.9 Å²	57.9	15%	0.147	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-50.2	176.5	179.5	73.5	0	0	0	112.2	L103 V116 E123 V124 R125 I172	L103-L121 HydrophobicContact CD2-CB 4.13Å; L103-L121 HydrophobicContact CD2-CD1 4.45Å; V116-L121 WeakPolarHBondContact O-CB 3.25Å; V116-L121 PolarHBondContact O-N 3.47Å; L121-E123 VanDerWaalsContact C-N 3.31Å; L121-E123 PolarHBondContact O-N 3.28Å; L121-V124 WeakPolarHBondContact O-CG2 3.37Å; L121-V124 PolarHBondContact O-N 2.59Å; L121-R125 HydrophobicContact CD1-CG 3.85Å; L121-R125 HydrophobicContact CG-CG 4.19Å; L121-R125 VanDerWaalsContact O-CB 3.3Å; L121-R125 WeakPolarHBondContact O-CB 3.36Å; L121-R125 WeakPolarHBondContact O-CG 3.39Å; L121-R125 PolarHBondContact O-N 3.35Å; L121-I172 HydrophobicContact CD2-CB 3.64Å; L121-I172 HydrophobicContact CD2-CG2 3.52Å
122	P	97.6	Very high	96.8	Very high	73 Å²	73	57.4 Å²	57.4	47%	0.474	27%	0.269	S	S	.	.	H	α-helix	trans	-53.9	-44.4	172.6	-28.2	33.6	0	0	0	113.6	Q117 R119 R126	Q117-P122 VanDerWaalsContact O-CD 3.26Å; Q117-P122 WeakPolarHBondContact O-CD 3.23Å; Q117-P122 WeakPolarHBondContact O-CG 3.4Å; R119-P122 WeakPolarHBondContact O-CD 3.48Å; P122-R126 PolarHBondContact O-N 3.39Å
123	E	97.6	Very high	96.8	Very high	24 Å²	24	57.4 Å²	57.4	11%	0.112	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-55.8	179.4	-171.8	-174.2	123.9	0	0	111	R91 H92 Y95 R119 W120 L121 R125 R126 Y127	R91-E123 WeakPolarHBondContact CD-OE1 2.84Å; R91-E123 IonicContact CZ-OE1 3.93Å; R91-E123 IonicContact NH1-OE1 2.99Å; R91-E123 PolarHBondContact NH1-OE1 3.13Å; R91-E123 IonicContact NH1-OE2 3.38Å; R91-E123 PolarHBondContact NH1-OE2 2.92Å; H92-E123 IonicContact CD2-OE1 3.89Å; H92-E123 IonicContact NE2-OE1 3.77Å; Y95-E123 HydrophobicContact CE2-CG 4.1Å; Y95-E123 PolarHBondContact OH-OE1 3.23Å; R119-E123 WeakPolarHBondContact O-CB 3.36Å; R119-E123 PolarHBondContact O-N 2.8Å; W120-E123 PolarHBondContact O-N 2.81Å; L121-E123 VanDerWaalsContact C-N 3.31Å; L121-E123 PolarHBondContact O-N 3.28Å; E123-R125 VanDerWaalsContact C-N 3.31Å; E123-R125 PolarHBondContact O-N 3.21Å; E123-R126 WeakPolarHBondContact O-CB 3.43Å; E123-R126 PolarHBondContact O-N 3.32Å; E123-Y127 WeakPolarHBondContact O-CD2 3.48Å
124	V	96.8	Very high	96.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.3	-33.1	-177.2	-59.2	0	0	0	0	112.3	V32 Y95 L101 W120 L121 R126 Y127 C128	V32-V124 HydrophobicContact CB-CG1 4.22Å; V32-V124 HydrophobicContact CG1-CG1 3.97Å; V32-V124 HydrophobicContact CG2-CG1 3.93Å; Y95-V124 HydrophobicContact CE1-CG1 3.98Å; L101-V124 HydrophobicContact CD1-CB 3.68Å; L101-V124 HydrophobicContact CD1-CG1 4.29Å; L101-V124 HydrophobicContact CD1-CG2 3.75Å; W120-V124 WeakPolarHBondContact O-CG1 3.45Å; W120-V124 WeakPolarHBondContact O-CG2 3.28Å; W120-V124 PolarHBondContact O-N 2.82Å; L121-V124 WeakPolarHBondContact O-CG2 3.37Å; L121-V124 PolarHBondContact O-N 2.59Å; V124-R126 VanDerWaalsContact C-N 3.26Å; V124-R126 PolarHBondContact O-N 2.94Å; V124-Y127 PolarHBondContact O-N 2.86Å; V124-C128 WeakPolarHBondContact O-CA 3.49Å; V124-C128 WeakPolarHBondContact O-CB 3.26Å; V124-C128 PolarHBondContact O-N 2.85Å
125	R	96.6	Very high	96.8	Very high	69 Å²	69	54.2 Å²	54.2	26%	0.26	25%	0.248	S	C	.	.	H	α-helix	trans	-68.7	-24.6	178.7	-71.6	-67.4	178.9	-143.7	3.5	112.9	L121 E123 Y127 C128 P129 A131 V133	L121-R125 HydrophobicContact CD1-CG 3.85Å; L121-R125 HydrophobicContact CG-CG 4.19Å; L121-R125 VanDerWaalsContact O-CB 3.3Å; L121-R125 WeakPolarHBondContact O-CB 3.36Å; L121-R125 WeakPolarHBondContact O-CG 3.39Å; L121-R125 PolarHBondContact O-N 3.35Å; E123-R125 VanDerWaalsContact C-N 3.31Å; E123-R125 PolarHBondContact O-N 3.21Å; R125-Y127 VanDerWaalsContact C-N 3.3Å; R125-Y127 PolarHBondContact O-N 2.92Å; R125-C128 PolarHBondContact NH1-O 2.73Å; R125-P129 PolarHBondContact NH1-O 3.37Å; R125-P129 WeakPolarHBondContact O-CA 3.17Å; R125-A131 PolarHBondContact NH1-O 2.89Å; R125-V133 VanDerWaalsContact NH2-CG2 3.3Å
126	R	95.9	Very high	96.8	Very high	206 Å²	206	52.2 Å²	52.2	78%	0.777	24%	0.237	S	C	*	.	H	α-helix	trans	-64	-33	172.3	-172.1	176.2	179.2	165.5	0	112.8	P122 E123 V124	P122-R126 PolarHBondContact O-N 3.39Å; E123-R126 WeakPolarHBondContact O-CB 3.43Å; E123-R126 PolarHBondContact O-N 3.32Å; V124-R126 VanDerWaalsContact C-N 3.26Å; V124-R126 PolarHBondContact O-N 2.94Å
127	Y	95.2	Very high	96.8	Very high	87 Å²	87	52.2 Å²	52.2	34%	0.341	24%	0.237	S	C	.	.	H	α-helix	trans	-107.4	-26.6	-176.3	-61.7	-89.1	0	0	0	113.7	H92 Y95 E123 V124 R125	H92-Y127 HydrophobicContact CB-CE1 4.14Å; H92-Y127 HydrophobicContact CB-CE2 4.4Å; H92-Y127 AromaticContact CD2-CE2 3.45Å; H92-Y127 VanDerWaalsContact CD2-CE2 3.45Å; H92-Y127 WeakPolarHBondContact CD2-CE2 3.44Å; H92-Y127 AromaticContact CD2-CZ 3.68Å; H92-Y127 PolarHBondContact CE1-OH 2.91Å; H92-Y127 AromaticContact CG-CE2 3.83Å; H92-Y127 AromaticContact CG-CZ 3.54Å; H92-Y127 AromaticContact ND1-CZ 3.87Å; H92-Y127 PolarHBondContact ND1-OH 2.76Å; H92-Y127 AromaticContact NE2-CE2 3.72Å; Y95-Y127 HydrophobicContact CD2-CD1 4.42Å; Y95-Y127 AromaticContact CD2-CD2 3.39Å; Y95-Y127 HydrophobicContact CD2-CD2 3.39Å; Y95-Y127 HydrophobicContact CD2-CE2 4.05Å; Y95-Y127 AromaticContact CD2-CG 3.61Å; Y95-Y127 HydrophobicContact CD2-CG 3.61Å; Y95-Y127 AromaticContact CE2-CD2 3.85Å; Y95-Y127 HydrophobicContact CE2-CD2 3.85Å; Y95-Y127 HydrophobicContact CE2-CE2 4.26Å; Y95-Y127 HydrophobicContact CE2-CG 4.5Å; Y95-Y127 HydrophobicContact CG-CD2 4.47Å; Y95-Y127 HydrophobicContact CG-CG 4.34Å; E123-Y127 WeakPolarHBondContact O-CD2 3.48Å; V124-Y127 PolarHBondContact O-N 2.86Å; R125-Y127 VanDerWaalsContact C-N 3.3Å; R125-Y127 PolarHBondContact O-N 2.92Å
128	C	93	Very high	96.9	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.061	23%	0.226	C	C	.	.			trans	-132.1	65	-175.9	-60.6	0	0	0	0	110.8	Y95 L101 V124 R125 R130 A131	Y95-C128 PolarHBondContact O-SG 3.42Å; L101-C128 HydrophobicContact CD1-CB 4Å; V124-C128 WeakPolarHBondContact O-CA 3.49Å; V124-C128 WeakPolarHBondContact O-CB 3.26Å; V124-C128 PolarHBondContact O-N 2.85Å; R125-C128 PolarHBondContact NH1-O 2.73Å; C128-R130 PolarHBondContact O-N 2.87Å; C128-R130 VanDerWaalsContact O-N 3.14Å; C128-A131 HydrophobicContact CB-CB 3.82Å; C128-A131 PolarHBondContact O-N 2.89Å
129	P	93.5	Very high	96.9	Very high	92 Å²	92	45.2 Å²	45.2	60%	0.597	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.9	-173.2	22.9	-33.9	0	0	0	113.2	R125	R125-P129 PolarHBondContact NH1-O 3.37Å; R125-P129 WeakPolarHBondContact O-CA 3.17Å
130	R	92.3	Very high	96.9	Very high	238 Å²	238	44 Å²	44	90%	0.898	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-7.3	-175.8	-61.4	-170.8	-65.1	169.4	-0.9	115.3	C128	C128-R130 PolarHBondContact O-N 2.87Å; C128-R130 VanDerWaalsContact O-N 3.14Å
131	A	95.2	Very high	96.9	Very high	10 Å²	10	46.1 Å²	46.1	8%	0.083	22%	0.215	C	C	.	.	S	Bend	trans	-67.3	132.8	-176.7	0	0	0	0	0	110	L101 R125 C128	L101-A131 HydrophobicContact CD1-CB 4.1Å; L101-A131 HydrophobicContact CG-CB 4.11Å; R125-A131 PolarHBondContact NH1-O 2.89Å; C128-A131 HydrophobicContact CB-CB 3.82Å; C128-A131 PolarHBondContact O-N 2.89Å
132	P	97.4	Very high	96.9	Very high	31 Å²	31	46.1 Å²	46.1	20%	0.201	22%	0.215	C	C	.	.			trans	-59.2	143.7	172.9	22.7	-32	0	0	0	110.7	H99 V100 L101 V175 A198	H99-P132 WeakPolarHBondContact O-CD 3.49Å; H99-P132 VanDerWaalsContact O-CG 3.31Å; H99-P132 WeakPolarHBondContact O-CG 3.23Å; V100-P132 HydrophobicContact CB-CG 4.16Å; V100-P132 HydrophobicContact CG2-CG 4.16Å; L101-P132 PolarHBondContact N-O 3.04Å; P132-V175 HydrophobicContact CB-CG2 3.59Å; P132-A198 HydrophobicContact CB-CB 3.93Å; P132-A198 HydrophobicContact CG-CB 3.98Å
133	V	97.9	Very high	96.9	Very high	1 Å²	1	45 Å²	45	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.6	177.5	170	0	0	0	0	108.2	L101 L103 R125 I172 A174 V175	L101-V133 HydrophobicContact CB-CG2 4.14Å; L101-V133 HydrophobicContact CD1-CG2 4.09Å; L101-V133 WeakPolarHBondContact O-CA 3.28Å; L103-V133 HydrophobicContact CB-CG1 3.86Å; L103-V133 HydrophobicContact CD2-CG1 4.13Å; R125-V133 VanDerWaalsContact NH2-CG2 3.3Å; V133-I172 HydrophobicContact CG1-CD1 4.45Å; V133-A174 HydrophobicContact CG1-CB 4.45Å; V133-A174 CarbonylContact O-C 3.54Å; V133-A174 WeakPolarHBondContact O-CA 3.13Å; V133-A174 WeakPolarHBondContact O-CB 3.15Å; V133-V175 PolarHBondContact O-N 2.91Å
134	V	98.5	Very high	96.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126	165.2	-175.2	0	0	0	0	107	V100 L101 L102 L103 V136 V175 I178 V194	V100-V134 HydrophobicContact CG2-CG2 4.26Å; L101-V134 PolarHBondContact O-N 2.83Å; L102-V134 HydrophobicContact CD2-CB 3.63Å; L102-V134 HydrophobicContact CD2-CG1 4.2Å; L102-V134 HydrophobicContact CD2-CG2 4.11Å; L103-V134 PolarHBondContact N-O 3.48Å; V134-V136 HydrophobicContact CG1-CG2 4.19Å; V134-V175 HydrophobicContact CG2-CB 4.46Å; V134-I178 HydrophobicContact CG1-CD1 4.16Å; V134-V194 HydrophobicContact CG1-CG1 4.23Å; V134-V194 HydrophobicContact CG2-CG1 3.99Å
135	L	98.8	Very high	96.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126	175.7	-175.4	68.6	0	0	0	108.6	L103 F105 V116 V168 A169 I172 A174 Q176 Y177 I178	L103-L135 HydrophobicContact CB-CD1 4.33Å; F105-L135 HydrophobicContact CD1-CD1 4.04Å; F105-L135 HydrophobicContact CD1-CG 4.39Å; F105-L135 HydrophobicContact CE1-CD1 4.13Å; F105-L135 HydrophobicContact CE1-CD2 4.23Å; F105-L135 HydrophobicContact CE1-CG 4Å; V116-L135 HydrophobicContact CG1-CD1 3.63Å; V116-L135 HydrophobicContact CG2-CD1 4.14Å; L135-V168 HydrophobicContact CD2-CG1 4.15Å; L135-A169 HydrophobicContact CB-CB 4.3Å; L135-A169 HydrophobicContact CD2-CB 3.81Å; L135-I172 HydrophobicContact CD1-CD1 4.28Å; L135-A174 HydrophobicContact CB-CB 4.19Å; L135-Q176 PolarHBondContact N-O 3.15Å; L135-Y177 HydrophobicContact CB-CD2 4.1Å; L135-Y177 HydrophobicContact CD2-CD2 3.81Å; L135-Y177 HydrophobicContact CD2-CE2 4.4Å; L135-Y177 HydrophobicContact CG-CD2 3.83Å; L135-Y177 HydrophobicContact CG-CE2 4.42Å; L135-Y177 WeakPolarHBondContact O-CA 3.49Å; L135-Y177 WeakPolarHBondContact O-CD2 3.18Å; L135-I178 PolarHBondContact O-N 2.58Å
136	V	98.9	Very high	97	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	115.1	-174.8	-173.7	0	0	0	0	110.2	L42 L102 L103 C104 F105 V134 T138 I178 C180 V191	L42-V136 HydrophobicContact CD2-CG1 4.36Å; L102-V136 HydrophobicContact CB-CG2 4.31Å; L102-V136 HydrophobicContact CD2-CG2 3.97Å; L103-V136 PolarHBondContact O-N 3.28Å; C104-V136 WeakPolarHBondContact CA-O 3.39Å; F105-V136 WeakPolarHBondContact CD1-O 3.42Å; F105-V136 PolarHBondContact N-O 3.48Å; V134-V136 HydrophobicContact CG1-CG2 4.19Å; V136-T138 HydrophobicContact CG1-CG2 4.07Å; V136-I178 WeakPolarHBondContact CA-O 3.48Å; V136-C180 VanDerWaalsContact CG1-SG 3.59Å; V136-V191 HydrophobicContact CG1-CG1 4.28Å; V136-V191 HydrophobicContact CG1-CG2 4.08Å; V136-V191 HydrophobicContact CG2-CG1 3.86Å
137	G	98.9	Very high	97	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	105.5	169.3	0	0	0	0	0	109.9	F105 I178 E179 C180	F105-G137 CarbonylContact O-C 3.59Å; G137-I178 PolarHBondContact N-O 2.84Å; G137-E179 CarbonylContact O-C 3.53Å; G137-E179 VanDerWaalsContact O-CA 3.23Å; G137-E179 WeakPolarHBondContact O-CA 3.37Å; G137-C180 PolarHBondContact O-N 3.41Å
138	T	98.8	Very high	97.1	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.025	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	168.3	-178.7	64.9	0	0	0	0	111.6	V37 C104 F105 S106 V107 V136 C140 C180	V37-T138 VanDerWaalsContact O-CB 3.23Å; V37-T138 WeakPolarHBondContact O-CB 3.27Å; V37-T138 WeakPolarHBondContact O-CG2 3.45Å; V37-T138 PolarHBondContact O-OG1 2.91Å; C104-T138 HydrophobicContact CB-CG2 4.33Å; F105-T138 PolarHBondContact O-N 3.07Å; F105-T138 PolarHBondContact O-OG1 2.75Å; S106-T138 WeakPolarHBondContact CA-OG1 3.34Å; V107-T138 PolarHBondContact N-O 2.85Å; V136-T138 HydrophobicContact CG1-CG2 4.07Å; T138-C140 VanDerWaalsContact C-N 3.29Å; T138-C140 PolarHBondContact O-N 3.27Å; T138-C180 CarbonylContact C-O 3.58Å; T138-C180 WeakPolarHBondContact CA-O 3.42Å
139	Q	98.4	Very high	97.3	Very high	28 Å²	28	51.1 Å²	51.1	13%	0.131	26%	0.261	C	S	.	.			trans	61.8	35	174.2	-54	170.9	-0.8	0	0	112.6	A36 S106 V107 D141 L142 C180	A36-Q139 PolarHBondContact O-NE2 3.42Å; S106-Q139 VanDerWaalsContact CB-OE1 3.3Å; S106-Q139 PolarHBondContact OG-OE1 2.66Å; V107-Q139 WeakPolarHBondContact CG2-O 3.42Å; Q139-D141 WeakPolarHBondContact CA-OD1 3.22Å; Q139-D141 PolarHBondContact O-N 2.83Å; Q139-L142 HydrophobicContact CB-CD1 4.04Å; Q139-L142 HydrophobicContact CB-CG 4.29Å; Q139-L142 WeakPolarHBondContact O-CB 3.42Å; Q139-L142 PolarHBondContact O-N 2.95Å; Q139-C180 PolarHBondContact N-O 2.79Å
140	C	98.4	Very high	97.5	Very high	24 Å²	24	49.8 Å²	49.8	16%	0.162	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-64.5	-21.2	-178.4	70.5	0	0	0	0	113.8	V107 T138 L142 R143 E179 C180	V107-C140 HydrophobicContact CG2-CB 4.43Å; T138-C140 VanDerWaalsContact C-N 3.29Å; T138-C140 PolarHBondContact O-N 3.27Å; C140-L142 PolarHBondContact O-N 3.5Å; C140-R143 VanDerWaalsContact O-CB 3.3Å; C140-R143 WeakPolarHBondContact O-CB 3.45Å; C140-R143 PolarHBondContact O-N 3.17Å; C140-E179 HydrophobicContact CB-CB 4.12Å; C140-C180 PolarHBondContact N-O 3.43Å; C140-C180 PolarHBondContact SG-O 3.25Å; C140-C180 VanDerWaalsContact SG-O 3.4Å
141	D	97.9	Very high	97.7	Very high	44 Å²	44	40 Å²	40	24%	0.235	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-60.7	-26.3	170.3	56.9	-74.5	0	0	0	113.3	Q139 S181 T184	Q139-D141 WeakPolarHBondContact CA-OD1 3.22Å; Q139-D141 PolarHBondContact O-N 2.83Å; D141-S181 WeakPolarHBondContact OD1-CB 3.19Å; D141-S181 PolarHBondContact OD1-OG 3.25Å; D141-T184 HydrophobicContact CB-CG2 4.08Å
142	L	97.9	Very high	97.8	Very high	28 Å²	28	40.1 Å²	40.1	15%	0.147	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-84	-9.8	-179.6	-60.5	-175.2	0	0	0	113.5	V108 Q139 C140 T144 N145 V148 F313	V108-L142 HydrophobicContact CB-CB 4.42Å; V108-L142 HydrophobicContact CG1-CB 3.67Å; V108-L142 HydrophobicContact CG2-CB 3.95Å; V108-L142 HydrophobicContact CG2-CD1 3.92Å; Q139-L142 HydrophobicContact CB-CD1 4.04Å; Q139-L142 HydrophobicContact CB-CG 4.29Å; Q139-L142 WeakPolarHBondContact O-CB 3.42Å; Q139-L142 PolarHBondContact O-N 2.95Å; C140-L142 PolarHBondContact O-N 3.5Å; L142-T144 PolarHBondContact O-N 2.97Å; L142-T144 VanDerWaalsContact O-N 3.16Å; L142-N145 HydrophobicContact CD2-CB 4.39Å; L142-N145 WeakPolarHBondContact O-CB 3.43Å; L142-N145 PolarHBondContact O-N 3.34Å; L142-V148 HydrophobicContact CB-CG2 4.39Å; L142-F313 HydrophobicContact CD1-CE1 4.37Å
143	R	97.7	Very high	97.8	Very high	51 Å²	51	44 Å²	44	19%	0.192	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-57.1	-34.2	-175.3	-178.5	-176.8	-72.6	-77.5	2	113.1	V107 C140 P159 V160 E179	V107-R143 HydrophobicContact CG2-CB 4.4Å; C140-R143 VanDerWaalsContact O-CB 3.3Å; C140-R143 WeakPolarHBondContact O-CB 3.45Å; C140-R143 PolarHBondContact O-N 3.17Å; R143-P159 HydrophobicContact CG-CB 4.14Å; R143-V160 PolarHBondContact NH1-O 3.17Å; R143-V160 PolarHBondContact NH2-O 3.34Å; R143-E179 IonicContact CZ-OE1 2.73Å; R143-E179 IonicContact CZ-OE2 3.38Å; R143-E179 IonicContact NE-OE2 3.76Å; R143-E179 PolarHBondContact NE-OE2 3.19Å; R143-E179 IonicContact NH2-OE1 2.78Å; R143-E179 PolarHBondContact NH2-OE1 3.02Å; R143-E179 IonicContact NH2-OE2 2.76Å; R143-E179 PolarHBondContact NH2-OE2 3.28Å
144	T	97	Very high	97.7	Very high	116 Å²	116	52 Å²	52	71%	0.712	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-106.9	7.4	179.7	55.5	0	0	0	0	112.9	L142 I146	L142-T144 PolarHBondContact O-N 2.97Å; L142-T144 VanDerWaalsContact O-N 3.16Å; T144-I146 PolarHBondContact O-N 2.78Å
145	N	97.6	Very high	97.5	Very high	65 Å²	65	58.1 Å²	58.1	35%	0.348	29%	0.291	S	S	.	.			trans	-69.8	122.4	178.9	-178.6	-71.7	0	0	0	110.3	L142 Q147 V148 L149	L142-N145 HydrophobicContact CD2-CB 4.39Å; L142-N145 WeakPolarHBondContact O-CB 3.43Å; L142-N145 PolarHBondContact O-N 3.34Å; N145-Q147 VanDerWaalsContact C-N 3.33Å; N145-Q147 PolarHBondContact O-N 3.39Å; N145-Q147 WeakPolarHBondContact OD1-CB 3.38Å; N145-Q147 PolarHBondContact OD1-N 3.2Å; N145-V148 HydrophobicContact CB-CB 4.11Å; N145-V148 HydrophobicContact CB-CG2 4Å; N145-V148 PolarHBondContact O-N 2.9Å; N145-V148 PolarHBondContact OD1-N 3.1Å; N145-V148 VanDerWaalsContact OD1-N 3.13Å; N145-L149 VanDerWaalsContact O-CG 3.32Å; N145-L149 WeakPolarHBondContact O-CG 3.33Å; N145-L149 PolarHBondContact O-N 2.65Å
146	I	97.4	Very high	97.4	Very high	134 Å²	134	66.6 Å²	66.6	69%	0.687	33%	0.33	S	S	*	.	H	α-helix	trans	-58.8	-43.8	-173.9	-61.9	172.6	0	0	0	111.7	T144 L149 V150	T144-I146 PolarHBondContact O-N 2.78Å; I146-L149 PolarHBondContact O-N 2.89Å; I146-V150 HydrophobicContact CG2-CG2 4.43Å; I146-V150 VanDerWaalsContact O-CG2 3.31Å; I146-V150 WeakPolarHBondContact O-CG2 3.44Å; I146-V150 PolarHBondContact O-N 3.01Å
147	Q	97	Very high	97.3	Very high	107 Å²	107	69.4 Å²	69.4	50%	0.5	34%	0.344	S	S	.	.	H	α-helix	trans	-65.4	-43.9	-177.8	-175.5	55.2	46.9	0	0	111	N145 L149 V150 D151	N145-Q147 VanDerWaalsContact C-N 3.33Å; N145-Q147 PolarHBondContact O-N 3.39Å; N145-Q147 WeakPolarHBondContact OD1-CB 3.38Å; N145-Q147 PolarHBondContact OD1-N 3.2Å; Q147-L149 VanDerWaalsContact C-N 3.35Å; Q147-L149 PolarHBondContact O-N 2.86Å; Q147-V150 PolarHBondContact O-N 3.02Å; Q147-D151 PolarHBondContact NE2-OD1 2.9Å; Q147-D151 PolarHBondContact NE2-OD2 2.87Å; Q147-D151 PolarHBondContact O-N 3.15Å
148	V	96.7	Very high	97.3	Very high	29 Å²	29	72.5 Å²	72.5	18%	0.176	37%	0.369	C	S	.	.	H	α-helix	trans	-62.3	-42.5	176.4	175.6	0	0	0	0	111.5	V108 L142 N145 D151 L152	V108-V148 HydrophobicContact CB-CG1 3.64Å; V108-V148 HydrophobicContact CG1-CG1 3.75Å; V108-V148 HydrophobicContact CG2-CG1 4.2Å; L142-V148 HydrophobicContact CB-CG2 4.39Å; N145-V148 HydrophobicContact CB-CB 4.11Å; N145-V148 HydrophobicContact CB-CG2 4Å; N145-V148 PolarHBondContact O-N 2.9Å; N145-V148 PolarHBondContact OD1-N 3.1Å; N145-V148 VanDerWaalsContact OD1-N 3.13Å; V148-D151 PolarHBondContact O-N 3.17Å; V148-L152 HydrophobicContact CG1-CD1 3.97Å; V148-L152 HydrophobicContact CG1-CG 4.45Å; V148-L152 WeakPolarHBondContact O-CB 3.49Å; V148-L152 WeakPolarHBondContact O-CG 3.17Å; V148-L152 PolarHBondContact O-N 2.82Å
149	L	97.8	Very high	97.2	Very high	71 Å²	71	73.4 Å²	73.4	37%	0.372	38%	0.375	S	S	.	.	H	α-helix	trans	-63.5	-42	176.7	-70.7	174	0	0	0	112.1	N145 I146 Q147 D151 N153 P159	N145-L149 VanDerWaalsContact O-CG 3.32Å; N145-L149 WeakPolarHBondContact O-CG 3.33Å; N145-L149 PolarHBondContact O-N 2.65Å; I146-L149 PolarHBondContact O-N 2.89Å; Q147-L149 VanDerWaalsContact C-N 3.35Å; Q147-L149 PolarHBondContact O-N 2.86Å; L149-D151 VanDerWaalsContact C-N 3.35Å; L149-N153 VanDerWaalsContact O-CB 3.27Å; L149-N153 WeakPolarHBondContact O-CB 3.16Å; L149-N153 PolarHBondContact O-N 2.75Å; L149-P159 HydrophobicContact CD2-CG 3.66Å
150	V	97.4	Very high	97.3	Very high	64 Å²	64	72.2 Å²	72.2	39%	0.388	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-45.5	174.5	168.5	0	0	0	0	110.5	I146 Q147 N153 R154	I146-V150 HydrophobicContact CG2-CG2 4.43Å; I146-V150 VanDerWaalsContact O-CG2 3.31Å; I146-V150 WeakPolarHBondContact O-CG2 3.44Å; I146-V150 PolarHBondContact O-N 3.01Å; Q147-V150 PolarHBondContact O-N 3.02Å; V150-N153 PolarHBondContact O-N 2.99Å; V150-R154 WeakPolarHBondContact O-CG 3.23Å; V150-R154 PolarHBondContact O-N 3.36Å; V150-R154 VanDerWaalsContact O-N 3.17Å
151	D	96.1	Very high	97.2	Very high	34 Å²	34	73.3 Å²	73.3	18%	0.182	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-40	-178.5	-74.2	-34.5	0	0	0	113.1	Q147 V148 L149 R154 F155	Q147-D151 PolarHBondContact NE2-OD1 2.9Å; Q147-D151 PolarHBondContact NE2-OD2 2.87Å; Q147-D151 PolarHBondContact O-N 3.15Å; V148-D151 PolarHBondContact O-N 3.17Å; L149-D151 VanDerWaalsContact C-N 3.35Å; D151-R154 WeakPolarHBondContact O-CB 3.41Å; D151-R154 PolarHBondContact O-N 2.8Å; D151-R154 IonicContact OD1-CZ 4Å; D151-R154 IonicContact OD1-NE 2.66Å; D151-R154 IonicContact OD1-NH1 3.25Å; D151-R154 PolarHBondContact OD1-NH1 3.02Å; D151-F155 WeakPolarHBondContact O-CD2 3.27Å
152	L	97.1	Very high	97.3	Very high	12 Å²	12	73.7 Å²	73.7	6%	0.063	38%	0.383	C	S	.	.	H	α-helix	trans	-64	-43	173.4	-74.3	170	0	0	0	111.7	V108 P110 V148 R154 F155 H156 E157 P159	V108-L152 HydrophobicContact CB-CD1 4.44Å; P110-L152 HydrophobicContact CG-CD2 4.38Å; V148-L152 HydrophobicContact CG1-CD1 3.97Å; V148-L152 HydrophobicContact CG1-CG 4.45Å; V148-L152 WeakPolarHBondContact O-CB 3.49Å; V148-L152 WeakPolarHBondContact O-CG 3.17Å; V148-L152 PolarHBondContact O-N 2.82Å; L152-R154 PolarHBondContact O-N 3.4Å; L152-F155 CarbonylContact O-C 3.57Å; L152-F155 PolarHBondContact O-N 2.87Å; L152-H156 PolarHBondContact O-N 2.85Å; L152-E157 CarbonylContact C-O 3.36Å; L152-E157 HydrophobicContact CB-CB 4.32Å; L152-E157 HydrophobicContact CD2-CB 3.97Å; L152-E157 PolarHBondContact O-N 2.77Å; L152-P159 HydrophobicContact CD1-CG 3.75Å
153	N	96.8	Very high	97.3	Very high	111 Å²	111	76.6 Å²	76.6	59%	0.594	41%	0.405	S	S	*	.	H	α-helix	trans	-64.4	-27.6	-179.5	-170	52.1	0	0	0	112.7	L149 V150 F155 H156	L149-N153 VanDerWaalsContact O-CB 3.27Å; L149-N153 WeakPolarHBondContact O-CB 3.16Å; L149-N153 PolarHBondContact O-N 2.75Å; V150-N153 PolarHBondContact O-N 2.99Å; N153-F155 PolarHBondContact O-N 3.34Å; N153-H156 PolarHBondContact O-N 3.18Å
154	R	96.5	Very high	97.3	Very high	170 Å²	170	78.6 Å²	78.6	64%	0.642	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.2	171.6	-70.5	170.6	179.1	176	-8.7	113	V150 D151 L152	V150-R154 WeakPolarHBondContact O-CG 3.23Å; V150-R154 PolarHBondContact O-N 3.36Å; V150-R154 VanDerWaalsContact O-N 3.17Å; D151-R154 WeakPolarHBondContact O-CB 3.41Å; D151-R154 PolarHBondContact O-N 2.8Å; D151-R154 IonicContact OD1-CZ 4Å; D151-R154 IonicContact OD1-NE 2.66Å; D151-R154 IonicContact OD1-NH1 3.25Å; D151-R154 PolarHBondContact OD1-NH1 3.02Å; L152-R154 PolarHBondContact O-N 3.4Å
155	F	94.7	Very high	97.4	Very high	128 Å²	128	73.1 Å²	73.1	56%	0.561	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	14.2	177	-61	-77.3	0	0	0	112.8	D151 L152 N153 E157	D151-F155 WeakPolarHBondContact O-CD2 3.27Å; L152-F155 CarbonylContact O-C 3.57Å; L152-F155 PolarHBondContact O-N 2.87Å; N153-F155 PolarHBondContact O-N 3.34Å; F155-E157 HydrophobicContact CB-CG 4.43Å; F155-E157 PolarHBondContact O-N 2.92Å
156	H	96.3	Very high	97.4	Very high	178 Å²	178	74 Å²	74	82%	0.824	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	30.2	-173.9	-54.8	-66.9	0	0	0	113.6	L152 N153	L152-H156 PolarHBondContact O-N 2.85Å; N153-H156 PolarHBondContact O-N 3.18Å
157	E	97.2	Very high	97.5	Very high	59 Å²	59	73.6 Å²	73.6	28%	0.276	38%	0.38	S	S	.	.			trans	-103	161.7	175.6	-74.1	178.6	-162.5	0	0	110.6	P110 L152 F155 R309	P110-E157 HydrophobicContact CG-CB 4.29Å; L152-E157 CarbonylContact C-O 3.36Å; L152-E157 HydrophobicContact CB-CB 4.32Å; L152-E157 HydrophobicContact CD2-CB 3.97Å; L152-E157 PolarHBondContact O-N 2.77Å; F155-E157 HydrophobicContact CB-CG 4.43Å; F155-E157 PolarHBondContact O-N 2.92Å; E157-R309 IonicContact OE1-CZ 2.62Å; E157-R309 IonicContact OE1-NH1 3.14Å; E157-R309 PolarHBondContact OE1-NH1 3.26Å; E157-R309 IonicContact OE1-NH2 3.35Å; E157-R309 PolarHBondContact OE1-NH2 3.46Å; E157-R309 IonicContact OE2-CZ 3.44Å; E157-R309 IonicContact OE2-NH1 3.56Å; E157-R309 PolarHBondContact OE2-NH1 3.23Å; E157-R309 IonicContact OE2-NH2 2.85Å; E157-R309 PolarHBondContact OE2-NH2 3.23Å; E157-R309 VanDerWaalsContact OE2-NH2 3.14Å
158	A	97.9	Very high	97.5	Very high	65 Å²	65	69 Å²	69	54%	0.537	36%	0.36	S	S	.	.			trans	-136.4	158.5	171.7	0	0	0	0	0	109.5	P110 V160	P110-A158 WeakPolarHBondContact CG-O 2.93Å; A158-V160 PolarHBondContact O-N 3.13Å
159	P	98.4	Very high	97.6	Very high	23 Å²	23	68 Å²	68	15%	0.149	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-55.3	139.8	172.6	-24.2	33.9	0	0	0	111.5	V107 V108 R143 L149 L152 S161	V107-P159 CarbonylContact O-C 3.41Å; V107-P159 VanDerWaalsContact O-CA 3.23Å; V107-P159 WeakPolarHBondContact O-CA 3.45Å; V107-P159 WeakPolarHBondContact O-CB 3.13Å; V108-P159 HydrophobicContact CG1-CB 4.41Å; V108-P159 HydrophobicContact CG1-CG 4.47Å; R143-P159 HydrophobicContact CG-CB 4.14Å; L149-P159 HydrophobicContact CD2-CG 3.66Å; L152-P159 HydrophobicContact CD1-CG 3.75Å; P159-S161 PolarHBondContact O-N 2.88Å
160	V	98.6	Very high	97.7	Very high	3 Å²	3	72.4 Å²	72.4	2%	0.018	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-58.2	120.7	-179.6	178.1	0	0	0	0	109.3	F105 V107 P110 F113 R143 A158 A165	F105-V160 HydrophobicContact CE2-CB 4.03Å; F105-V160 HydrophobicContact CE2-CG1 3.92Å; F105-V160 HydrophobicContact CE2-CG2 4.18Å; F105-V160 HydrophobicContact CZ-CG1 4.33Å; V107-V160 PolarHBondContact O-N 3.31Å; P110-V160 HydrophobicContact CB-CG2 4.37Å; P110-V160 HydrophobicContact CG-CG2 4.4Å; F113-V160 HydrophobicContact CB-CG1 4.4Å; F113-V160 HydrophobicContact CB-CG2 3.64Å; F113-V160 HydrophobicContact CD1-CG1 3.7Å; F113-V160 HydrophobicContact CD1-CG2 4.03Å; F113-V160 HydrophobicContact CD2-CG1 3.9Å; F113-V160 HydrophobicContact CE1-CG1 3.82Å; F113-V160 HydrophobicContact CE2-CG1 4Å; F113-V160 HydrophobicContact CG-CB 4.44Å; F113-V160 HydrophobicContact CG-CG1 3.73Å; F113-V160 HydrophobicContact CG-CG2 3.86Å; F113-V160 HydrophobicContact CZ-CG1 3.94Å; R143-V160 PolarHBondContact NH1-O 3.17Å; R143-V160 PolarHBondContact NH2-O 3.34Å; A158-V160 PolarHBondContact O-N 3.13Å; V160-A165 HydrophobicContact CG1-CB 4.19Å
161	S	98.2	Very high	97.7	Very high	48 Å²	48	75.7 Å²	75.7	34%	0.336	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-69.7	149.6	-176.8	74.9	0	0	0	0	111.4	P159 S163 E164 A165	P159-S161 PolarHBondContact O-N 2.88Å; S161-S163 VanDerWaalsContact C-N 3.26Å; S161-S163 PolarHBondContact O-N 2.89Å; S161-E164 PolarHBondContact O-N 3.44Å; S161-E164 WeakPolarHBondContact OG-CB 3.29Å; S161-E164 PolarHBondContact OG-N 3.05Å; S161-E164 VanDerWaalsContact OG-N 3.17Å; S161-A165 PolarHBondContact O-N 2.89Å; S161-A165 VanDerWaalsContact O-N 3.13Å
162	P	98.2	Very high	97.7	Very high	52 Å²	52	74.7 Å²	74.7	34%	0.338	37%	0.373	S	S	.	.	H	α-helix	trans	-55.7	-45.4	175.8	-24.6	33.6	0	0	0	111.3	E164 A165 Q166 E179	P162-E164 VanDerWaalsContact C-N 3.33Å; P162-E164 PolarHBondContact O-N 3.48Å; P162-A165 CarbonylContact O-C 3.45Å; P162-A165 PolarHBondContact O-N 3.03Å; P162-A165 VanDerWaalsContact O-N 3.1Å; P162-Q166 PolarHBondContact O-N 3.36Å; P162-Q166 PolarHBondContact O-NE2 2.98Å; P162-Q166 PolarHBondContact O-OE1 3.21Å; P162-E179 WeakPolarHBondContact CA-OE1 3.22Å; P162-E179 WeakPolarHBondContact CG-OE1 2.97Å
163	S	98.3	Very high	97.7	Very high	88 Å²	88	80.7 Å²	80.7	62%	0.615	41%	0.406	S	S	*	.	H	α-helix	trans	-56.7	-44.4	-178.9	-176.6	0	0	0	0	112.7	S161 Q166 H167	S161-S163 VanDerWaalsContact C-N 3.26Å; S161-S163 PolarHBondContact O-N 2.89Å; S163-Q166 VanDerWaalsContact CA-OE1 3.25Å; S163-Q166 VanDerWaalsContact N-OE1 3.14Å; S163-Q166 PolarHBondContact O-N 3.34Å; S163-H167 PolarHBondContact O-N 2.94Å
164	E	98.1	Very high	97.7	Very high	94 Å²	94	76.2 Å²	76.2	44%	0.439	38%	0.384	S	S	.	.	H	α-helix	trans	-63.1	-44.9	176.4	-175.8	-174.6	-172.6	0	0	111.6	F113 S161 P162 H167 V168	F113-E164 HydrophobicContact CE1-CG 3.69Å; F113-E164 HydrophobicContact CZ-CG 4.01Å; S161-E164 PolarHBondContact O-N 3.44Å; S161-E164 WeakPolarHBondContact OG-CB 3.29Å; S161-E164 PolarHBondContact OG-N 3.05Å; S161-E164 VanDerWaalsContact OG-N 3.17Å; P162-E164 VanDerWaalsContact C-N 3.33Å; P162-E164 PolarHBondContact O-N 3.48Å; E164-H167 WeakPolarHBondContact O-CB 3.19Å; E164-H167 PolarHBondContact O-N 3.26Å; E164-V168 PolarHBondContact O-N 2.94Å
165	A	98.6	Very high	97.8	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-67.3	-37	177.4	0	0	0	0	0	113	F105 F113 V160 S161 P162 H167 V168 A169 Y177	F105-A165 HydrophobicContact CE1-CB 4.45Å; F105-A165 HydrophobicContact CZ-CB 3.84Å; F113-A165 HydrophobicContact CE2-CB 3.81Å; F113-A165 HydrophobicContact CZ-CB 4.16Å; V160-A165 HydrophobicContact CG1-CB 4.19Å; S161-A165 PolarHBondContact O-N 2.89Å; S161-A165 VanDerWaalsContact O-N 3.13Å; P162-A165 CarbonylContact O-C 3.45Å; P162-A165 PolarHBondContact O-N 3.03Å; P162-A165 VanDerWaalsContact O-N 3.1Å; A165-H167 VanDerWaalsContact C-N 3.34Å; A165-V168 PolarHBondContact O-N 2.79Å; A165-A169 WeakPolarHBondContact O-CB 3.42Å; A165-A169 PolarHBondContact O-N 3.02Å; A165-Y177 HydrophobicContact CB-CD1 4.24Å; A165-Y177 HydrophobicContact CB-CD2 4.15Å; A165-Y177 HydrophobicContact CB-CE1 3.61Å; A165-Y177 HydrophobicContact CB-CE2 3.55Å; A165-Y177 HydrophobicContact CB-CG 4.43Å; A165-Y177 VanDerWaalsContact CB-OH 3.22Å; A165-Y177 WeakPolarHBondContact CB-OH 3.41Å
166	Q	98.6	Very high	97.9	Very high	85 Å²	85	69.1 Å²	69.1	40%	0.397	37%	0.365	S	S	.	.	H	α-helix	trans	-62.6	-39.8	170.7	-80.5	112.2	35.3	0	0	112	P162 S163 A169 K170 Y177	P162-Q166 PolarHBondContact O-N 3.36Å; P162-Q166 PolarHBondContact O-NE2 2.98Å; P162-Q166 PolarHBondContact O-OE1 3.21Å; S163-Q166 VanDerWaalsContact CA-OE1 3.25Å; S163-Q166 VanDerWaalsContact N-OE1 3.14Å; S163-Q166 PolarHBondContact O-N 3.34Å; Q166-A169 PolarHBondContact O-N 3.47Å; Q166-K170 WeakPolarHBondContact O-CG 3.44Å; Q166-K170 PolarHBondContact O-N 3.23Å; Q166-K170 VanDerWaalsContact O-N 3.09Å; Q166-Y177 HydrophobicContact CG-CD1 3.71Å; Q166-Y177 HydrophobicContact CG-CE1 4.41Å; Q166-Y177 VanDerWaalsContact NE2-CD1 3.26Å; Q166-Y177 VanDerWaalsContact NE2-CE1 3.35Å
167	H	98.5	Very high	98	Very high	124 Å²	124	61.7 Å²	61.7	57%	0.574	33%	0.33	S	S	*	.	H	α-helix	trans	-62.6	-46.4	174.9	178.5	83	0	0	0	111.4	S163 E164 A165 A169 K170 K171	S163-H167 PolarHBondContact O-N 2.94Å; E164-H167 WeakPolarHBondContact O-CB 3.19Å; E164-H167 PolarHBondContact O-N 3.26Å; A165-H167 VanDerWaalsContact C-N 3.34Å; H167-A169 PolarHBondContact O-N 3.37Å; H167-K170 PolarHBondContact O-N 2.85Å; H167-K171 WeakPolarHBondContact O-CB 3.41Å; H167-K171 PolarHBondContact O-N 2.66Å
168	V	98.4	Very high	98.1	Very high	12 Å²	12	59.1 Å²	59.1	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-42.7	175.6	164.5	0	0	0	0	111.6	F113 V116 Q117 L135 E164 A165 K170 K171 I172	F113-V168 HydrophobicContact CE1-CG2 3.99Å; F113-V168 HydrophobicContact CE2-CB 3.98Å; F113-V168 HydrophobicContact CE2-CG1 4.1Å; F113-V168 HydrophobicContact CE2-CG2 4.11Å; F113-V168 HydrophobicContact CZ-CB 3.69Å; F113-V168 HydrophobicContact CZ-CG1 4.19Å; F113-V168 HydrophobicContact CZ-CG2 3.36Å; V116-V168 HydrophobicContact CG1-CG1 4.45Å; Q117-V168 HydrophobicContact CG-CG1 4.02Å; L135-V168 HydrophobicContact CD2-CG1 4.15Å; E164-V168 PolarHBondContact O-N 2.94Å; A165-V168 PolarHBondContact O-N 2.79Å; V168-K170 VanDerWaalsContact C-N 3.33Å; V168-K170 PolarHBondContact O-N 3.26Å; V168-K171 PolarHBondContact O-N 3.26Å; V168-K171 VanDerWaalsContact O-N 3.12Å; V168-I172 HydrophobicContact CG1-CG2 4.31Å; V168-I172 WeakPolarHBondContact O-CG1 3.44Å; V168-I172 WeakPolarHBondContact O-CG2 3.11Å; V168-I172 PolarHBondContact O-N 3.44Å
169	A	98.6	Very high	98.1	Very high	6 Å²	6	57.4 Å²	57.4	5%	0.05	30%	0.299	C	S	.	.	H	α-helix	trans	-57.4	-44.6	177.4	0	0	0	0	0	112.4	L135 A165 Q166 H167 I172 N173 A174	L135-A169 HydrophobicContact CB-CB 4.3Å; L135-A169 HydrophobicContact CD2-CB 3.81Å; A165-A169 WeakPolarHBondContact O-CB 3.42Å; A165-A169 PolarHBondContact O-N 3.02Å; Q166-A169 PolarHBondContact O-N 3.47Å; H167-A169 PolarHBondContact O-N 3.37Å; A169-I172 WeakPolarHBondContact O-CG1 3.43Å; A169-I172 PolarHBondContact O-N 3.12Å; A169-N173 PolarHBondContact O-N 3.43Å; A169-A174 HydrophobicContact CB-CB 4.17Å; A169-A174 PolarHBondContact O-N 2.9Å
170	K	98.2	Very high	98.1	Very high	164 Å²	164	56.4 Å²	56.4	71%	0.713	29%	0.292	S	S	*	.	H	α-helix	trans	-61.9	-48	173.1	-70.5	177.9	-178.9	-179.7	0	111.3	Q166 H167 V168 I172 N173	Q166-K170 WeakPolarHBondContact O-CG 3.44Å; Q166-K170 PolarHBondContact O-N 3.23Å; Q166-K170 VanDerWaalsContact O-N 3.09Å; H167-K170 PolarHBondContact O-N 2.85Å; V168-K170 VanDerWaalsContact C-N 3.33Å; V168-K170 PolarHBondContact O-N 3.26Å; K170-I172 VanDerWaalsContact C-N 3.25Å; K170-I172 PolarHBondContact O-N 3.21Å; K170-N173 PolarHBondContact O-N 3.36Å; K170-N173 VanDerWaalsContact O-N 3.09Å
171	K	97.8	Very high	98.1	Very high	134 Å²	134	56.2 Å²	56.2	58%	0.583	29%	0.291	S	S	*	.	H	α-helix	trans	-59.5	-33.3	-179.3	179.4	173.2	166.5	-161.1	0	113.1	Q117 H167 V168	Q117-K171 VanDerWaalsContact OE1-NZ 3.16Å; H167-K171 WeakPolarHBondContact O-CB 3.41Å; H167-K171 PolarHBondContact O-N 2.66Å; V168-K171 PolarHBondContact O-N 3.26Å; V168-K171 VanDerWaalsContact O-N 3.12Å
172	I	97.1	Very high	98	Very high	12 Å²	12	54.5 Å²	54.5	6%	0.062	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	4.3	179.7	72.7	175.9	0	0	0	113.8	L103 V116 Q117 L121 V133 L135 V168 A169 K170 A174	L103-I172 HydrophobicContact CD2-CD1 4.21Å; V116-I172 HydrophobicContact CG1-CD1 4.21Å; Q117-I172 HydrophobicContact CG-CG2 3.97Å; L121-I172 HydrophobicContact CD2-CB 3.64Å; L121-I172 HydrophobicContact CD2-CG2 3.52Å; V133-I172 HydrophobicContact CG1-CD1 4.45Å; L135-I172 HydrophobicContact CD1-CD1 4.28Å; V168-I172 HydrophobicContact CG1-CG2 4.31Å; V168-I172 WeakPolarHBondContact O-CG1 3.44Å; V168-I172 WeakPolarHBondContact O-CG2 3.11Å; V168-I172 PolarHBondContact O-N 3.44Å; A169-I172 WeakPolarHBondContact O-CG1 3.43Å; A169-I172 PolarHBondContact O-N 3.12Å; K170-I172 VanDerWaalsContact C-N 3.25Å; K170-I172 PolarHBondContact O-N 3.21Å; I172-A174 VanDerWaalsContact C-N 3.28Å; I172-A174 HydrophobicContact CD1-CB 4.2Å; I172-A174 HydrophobicContact CG1-CB 3.95Å; I172-A174 PolarHBondContact O-N 3.38Å
173	N	96.6	Very high	97.9	Very high	138 Å²	138	56.4 Å²	56.4	74%	0.738	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	43.2	-173.1	-57.4	-49.1	0	0	0	112.8	A169 K170	A169-N173 PolarHBondContact O-N 3.43Å; K170-N173 PolarHBondContact O-N 3.36Å; K170-N173 VanDerWaalsContact O-N 3.09Å
174	A	97.8	Very high	97.8	Very high	18 Å²	18	56 Å²	56	15%	0.149	28%	0.281	C	S	.	.			trans	-68.6	145.6	170	0	0	0	0	0	109.9	V133 L135 A169 I172 Q176	V133-A174 HydrophobicContact CG1-CB 4.45Å; V133-A174 CarbonylContact O-C 3.54Å; V133-A174 WeakPolarHBondContact O-CA 3.13Å; V133-A174 WeakPolarHBondContact O-CB 3.15Å; L135-A174 HydrophobicContact CB-CB 4.19Å; A169-A174 HydrophobicContact CB-CB 4.17Å; A169-A174 PolarHBondContact O-N 2.9Å; I172-A174 VanDerWaalsContact C-N 3.28Å; I172-A174 HydrophobicContact CD1-CB 4.2Å; I172-A174 HydrophobicContact CG1-CB 3.95Å; I172-A174 PolarHBondContact O-N 3.38Å; A174-Q176 VanDerWaalsContact C-N 3.27Å; A174-Q176 PolarHBondContact O-N 2.99Å
175	V	96.8	Very high	97.6	Very high	69 Å²	69	55.3 Å²	55.3	42%	0.418	28%	0.277	S	S	.	.	S	Bend	trans	-58.1	-44.3	175	175.7	0	0	0	0	110.3	P132 V133 V134 V194 A198	P132-V175 HydrophobicContact CB-CG2 3.59Å; V133-V175 PolarHBondContact O-N 2.91Å; V134-V175 HydrophobicContact CG2-CB 4.46Å; V175-V194 HydrophobicContact CG1-CG1 4.28Å; V175-A198 HydrophobicContact CG1-CB 4.22Å; V175-A198 HydrophobicContact CG2-CB 4.04Å
176	Q	97.3	Very high	97.6	Very high	79 Å²	79	58.4 Å²	58.4	37%	0.369	30%	0.296	S	S	.	.			trans	-158.5	158.5	176.6	-162.5	168.7	-11.1	0	0	110	L135 A174 I178 V194	L135-Q176 PolarHBondContact N-O 3.15Å; A174-Q176 VanDerWaalsContact C-N 3.27Å; A174-Q176 PolarHBondContact O-N 2.99Å; Q176-I178 HydrophobicContact CG-CG1 4.13Å; Q176-V194 HydrophobicContact CB-CG1 3.99Å; Q176-V194 VanDerWaalsContact OE1-CG2 3.31Å
177	Y	98.6	Very high	97.5	Very high	22 Å²	22	57.8 Å²	57.8	9%	0.086	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.9	162.2	170.6	-114.8	0	0	0	110.3	F105 L135 A165 Q166 E179	F105-Y177 HydrophobicContact CE1-CD2 4.47Å; F105-Y177 AromaticContact CE1-CE2 3.7Å; F105-Y177 HydrophobicContact CE1-CE2 3.7Å; F105-Y177 AromaticContact CZ-CE2 3.73Å; F105-Y177 HydrophobicContact CZ-CE2 3.73Å; L135-Y177 HydrophobicContact CB-CD2 4.1Å; L135-Y177 HydrophobicContact CD2-CD2 3.81Å; L135-Y177 HydrophobicContact CD2-CE2 4.4Å; L135-Y177 HydrophobicContact CG-CD2 3.83Å; L135-Y177 HydrophobicContact CG-CE2 4.42Å; L135-Y177 WeakPolarHBondContact O-CA 3.49Å; L135-Y177 WeakPolarHBondContact O-CD2 3.18Å; A165-Y177 HydrophobicContact CB-CD1 4.24Å; A165-Y177 HydrophobicContact CB-CD2 4.15Å; A165-Y177 HydrophobicContact CB-CE1 3.61Å; A165-Y177 HydrophobicContact CB-CE2 3.55Å; A165-Y177 HydrophobicContact CB-CG 4.43Å; A165-Y177 VanDerWaalsContact CB-OH 3.22Å; A165-Y177 WeakPolarHBondContact CB-OH 3.41Å; Q166-Y177 HydrophobicContact CG-CD1 3.71Å; Q166-Y177 HydrophobicContact CG-CE1 4.41Å; Q166-Y177 VanDerWaalsContact NE2-CD1 3.26Å; Q166-Y177 VanDerWaalsContact NE2-CE1 3.35Å; Y177-E179 HydrophobicContact CE1-CG 3.67Å; Y177-E179 HydrophobicContact CE2-CG 4.2Å; Y177-E179 WeakPolarHBondContact OH-CG 3.18Å; Y177-E179 PolarHBondContact OH-OE1 3.46Å
178	I	98.7	Very high	97.4	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.6	178.4	-56.2	165.9	0	0	0	108.9	V134 L135 V136 G137 Q176 N187 E190 V191 V194	V134-I178 HydrophobicContact CG1-CD1 4.16Å; L135-I178 PolarHBondContact O-N 2.58Å; V136-I178 WeakPolarHBondContact CA-O 3.48Å; G137-I178 PolarHBondContact N-O 2.84Å; Q176-I178 HydrophobicContact CG-CG1 4.13Å; I178-N187 HydrophobicContact CG2-CB 3.93Å; I178-E190 HydrophobicContact CD1-CG 4.19Å; I178-V191 HydrophobicContact CB-CG2 4.07Å; I178-V191 HydrophobicContact CD1-CG2 4.42Å; I178-V191 HydrophobicContact CG2-CG2 3.61Å; I178-V194 HydrophobicContact CD1-CB 3.83Å; I178-V194 HydrophobicContact CD1-CG1 4.19Å; I178-V194 HydrophobicContact CD1-CG2 3.77Å
179	E	98.6	Very high	97.2	Very high	30 Å²	30	56.1 Å²	56.1	14%	0.14	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.9	165.5	-71.2	-171.3	-163	0	0	110.1	V107 G137 C140 R143 P162 Y177 N187	V107-E179 HydrophobicContact CG1-CG 4.23Å; G137-E179 CarbonylContact O-C 3.53Å; G137-E179 VanDerWaalsContact O-CA 3.23Å; G137-E179 WeakPolarHBondContact O-CA 3.37Å; C140-E179 HydrophobicContact CB-CB 4.12Å; R143-E179 IonicContact CZ-OE1 2.73Å; R143-E179 IonicContact CZ-OE2 3.38Å; R143-E179 IonicContact NE-OE2 3.76Å; R143-E179 PolarHBondContact NE-OE2 3.19Å; R143-E179 IonicContact NH2-OE1 2.78Å; R143-E179 PolarHBondContact NH2-OE1 3.02Å; R143-E179 IonicContact NH2-OE2 2.76Å; R143-E179 PolarHBondContact NH2-OE2 3.28Å; P162-E179 WeakPolarHBondContact CA-OE1 3.22Å; P162-E179 WeakPolarHBondContact CG-OE1 2.97Å; Y177-E179 HydrophobicContact CE1-CG 3.67Å; Y177-E179 HydrophobicContact CE2-CG 4.2Å; Y177-E179 WeakPolarHBondContact OH-CG 3.18Å; Y177-E179 PolarHBondContact OH-OE1 3.46Å; E179-N187 VanDerWaalsContact O-CB 3.25Å; E179-N187 WeakPolarHBondContact O-CB 3.44Å; E179-N187 PolarHBondContact O-ND2 3.4Å
180	C	98.6	Very high	97.1	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.007	30%	0.3	C	S	.	.			trans	-143.8	159.6	179.3	66.9	0	0	0	0	112.4	L42 V136 G137 T138 Q139 C140 V186 N187 V191	L42-C180 VanDerWaalsContact CD1-SG 3.51Å; V136-C180 VanDerWaalsContact CG1-SG 3.59Å; G137-C180 PolarHBondContact O-N 3.41Å; T138-C180 CarbonylContact C-O 3.58Å; T138-C180 WeakPolarHBondContact CA-O 3.42Å; Q139-C180 PolarHBondContact N-O 2.79Å; C140-C180 PolarHBondContact N-O 3.43Å; C140-C180 PolarHBondContact SG-O 3.25Å; C140-C180 VanDerWaalsContact SG-O 3.4Å; C180-V186 WeakPolarHBondContact CA-O 3.43Å; C180-V186 VanDerWaalsContact CB-O 3.24Å; C180-V186 WeakPolarHBondContact CB-O 3.42Å; C180-N187 HydrophobicContact CB-CB 4.23Å; C180-V191 HydrophobicContact CB-CG2 3.9Å
181	S	98.2	Very high	97.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.			trans	-122.2	120.2	167.4	176.8	0	0	0	0	108.7	D141 L183 T184 Q185 V186	D141-S181 WeakPolarHBondContact OD1-CB 3.19Å; D141-S181 PolarHBondContact OD1-OG 3.25Å; S181-L183 PolarHBondContact O-N 3.31Å; S181-L183 PolarHBondContact OG-N 2.91Å; S181-T184 WeakPolarHBondContact CB-OG1 3.13Å; S181-T184 PolarHBondContact OG-N 2.92Å; S181-T184 PolarHBondContact OG-OG1 2.99Å; S181-Q185 CarbonylContact O-C 3.42Å; S181-Q185 WeakPolarHBondContact O-CA 3.42Å; S181-Q185 PolarHBondContact O-N 3.24Å; S181-V186 PolarHBondContact N-O 2.64Å; S181-V186 PolarHBondContact O-N 2.68Å
182	A	97.3	Very high	97	Very high	11 Å²	11	45.2 Å²	45.2	9%	0.091	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-28.1	170.1	0	0	0	0	0	111.6	S45 Y51	S45-A182 WeakPolarHBondContact CB-O 3.37Å; S45-A182 PolarHBondContact OG-O 3.43Å; Y51-A182 HydrophobicContact CD2-CB 4.16Å; Y51-A182 WeakPolarHBondContact CD2-O 3.29Å; Y51-A182 HydrophobicContact CE2-CB 3.84Å
183	L	95.3	Very high	96.9	Very high	93 Å²	93	46.1 Å²	46.1	49%	0.487	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-51.1	-177.7	177.8	63	0	0	0	111.6	Y51 S181	Y51-L183 HydrophobicContact CD1-CD1 3.98Å; Y51-L183 VanDerWaalsContact CD2-CA 3.49Å; Y51-L183 HydrophobicContact CD2-CB 4.13Å; Y51-L183 HydrophobicContact CD2-CD1 4.26Å; Y51-L183 HydrophobicContact CE1-CD1 4.18Å; Y51-L183 HydrophobicContact CE2-CB 3.86Å; Y51-L183 HydrophobicContact CE2-CD1 4.4Å; Y51-L183 HydrophobicContact CG-CD1 4.01Å; S181-L183 PolarHBondContact O-N 3.31Å; S181-L183 PolarHBondContact OG-N 2.91Å
184	T	95.6	Very high	96.9	Very high	80 Å²	80	40.4 Å²	40.4	49%	0.491	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	0.7	-180	64.5	0	0	0	0	113	D141 S181 V186	D141-T184 HydrophobicContact CB-CG2 4.08Å; S181-T184 WeakPolarHBondContact CB-OG1 3.13Å; S181-T184 PolarHBondContact OG-N 2.92Å; S181-T184 PolarHBondContact OG-OG1 2.99Å; T184-V186 PolarHBondContact O-N 2.82Å; T184-V186 VanDerWaalsContact O-N 3.13Å; T184-V186 WeakPolarHBondContact OG1-CG2 3.46Å
185	Q	95.2	Very high	96.8	Very high	78 Å²	78	39.6 Å²	39.6	36%	0.364	21%	0.207	S	C	.	.			trans	60	13.7	-177.7	-56.7	-175.6	-18.4	0	0	115.3	N49 S181 N187 L188	N49-Q185 PolarHBondContact OD1-NE2 3.24Å; N49-Q185 PolarHBondContact OD1-OE1 3.38Å; S181-Q185 CarbonylContact O-C 3.42Å; S181-Q185 WeakPolarHBondContact O-CA 3.42Å; S181-Q185 PolarHBondContact O-N 3.24Å; Q185-N187 PolarHBondContact O-N 3.2Å; Q185-L188 HydrophobicContact CB-CB 4.41Å; Q185-L188 HydrophobicContact CB-CD2 4.13Å; Q185-L188 HydrophobicContact CG-CD2 4Å; Q185-L188 WeakPolarHBondContact O-CB 3.31Å; Q185-L188 PolarHBondContact O-N 3.49Å
186	V	97.5	Very high	96.7	Very high	66 Å²	66	36.3 Å²	36.3	40%	0.4	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	126.3	174.8	171	0	0	0	0	110.1	C180 S181 T184 L188	C180-V186 WeakPolarHBondContact CA-O 3.43Å; C180-V186 VanDerWaalsContact CB-O 3.24Å; C180-V186 WeakPolarHBondContact CB-O 3.42Å; S181-V186 PolarHBondContact N-O 2.64Å; S181-V186 PolarHBondContact O-N 2.68Å; T184-V186 PolarHBondContact O-N 2.82Å; T184-V186 VanDerWaalsContact O-N 3.13Å; T184-V186 WeakPolarHBondContact OG1-CG2 3.46Å; V186-L188 PolarHBondContact O-N 3.12Å
187	N	97.6	Very high	96.6	Very high	72 Å²	72	34 Å²	34	39%	0.385	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	14.9	-179.1	-57.6	-19.7	0	0	0	115.4	I178 E179 C180 Q185 K189 E190 V191	I178-N187 HydrophobicContact CG2-CB 3.93Å; E179-N187 VanDerWaalsContact O-CB 3.25Å; E179-N187 WeakPolarHBondContact O-CB 3.44Å; E179-N187 PolarHBondContact O-ND2 3.4Å; C180-N187 HydrophobicContact CB-CB 4.23Å; Q185-N187 PolarHBondContact O-N 3.2Å; N187-K189 PolarHBondContact O-N 3.21Å; N187-E190 HydrophobicContact CB-CB 4.3Å; N187-E190 WeakPolarHBondContact O-CB 3.2Å; N187-E190 PolarHBondContact O-N 3.39Å; N187-E190 VanDerWaalsContact O-N 3.16Å; N187-V191 WeakPolarHBondContact O-CG2 3.37Å; N187-V191 PolarHBondContact O-N 2.94Å; N187-V191 VanDerWaalsContact O-N 3.09Å
188	L	95.9	Very high	96.4	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.047	18%	0.175	C	C	.	.	H	α-helix	trans	-59.5	-48.5	-177.2	-179	65.6	0	0	0	111.3	L42 S45 Q185 V186 E190 V191 F192	L42-L188 HydrophobicContact CD1-CD1 3.4Å; L42-L188 VanDerWaalsContact CD1-CD1 3.4Å; L42-L188 HydrophobicContact CG-CD1 4.14Å; S45-L188 VanDerWaalsContact OG-CD2 3.29Å; S45-L188 WeakPolarHBondContact OG-CD2 3.31Å; Q185-L188 HydrophobicContact CB-CB 4.41Å; Q185-L188 HydrophobicContact CB-CD2 4.13Å; Q185-L188 HydrophobicContact CG-CD2 4Å; Q185-L188 WeakPolarHBondContact O-CB 3.31Å; Q185-L188 PolarHBondContact O-N 3.49Å; V186-L188 PolarHBondContact O-N 3.12Å; L188-E190 VanDerWaalsContact C-N 3.34Å; L188-E190 PolarHBondContact O-N 2.97Å; L188-V191 PolarHBondContact O-N 3.35Å; L188-F192 HydrophobicContact CD1-CE2 4.1Å; L188-F192 VanDerWaalsContact O-CD2 3.3Å; L188-F192 WeakPolarHBondContact O-CD2 3.35Å
189	K	94.3	Very high	96.2	Very high	91 Å²	91	33.6 Å²	33.6	40%	0.396	18%	0.179	S	C	.	.	H	α-helix	trans	-61.6	-42	175.9	-170.8	-171	-174.4	-56.9	0	111.7	N187 V191 F192 D193 I210	N187-K189 PolarHBondContact O-N 3.21Å; K189-V191 VanDerWaalsContact C-N 3.33Å; K189-V191 PolarHBondContact O-N 3.34Å; K189-F192 PolarHBondContact O-N 3.45Å; K189-D193 IonicContact NZ-OD1 3.91Å; K189-D193 PolarHBondContact NZ-OD1 3.01Å; K189-D193 IonicContact NZ-OD2 3.56Å; K189-D193 PolarHBondContact NZ-OD2 3.29Å; K189-D193 WeakPolarHBondContact O-CB 3.42Å; K189-D193 VanDerWaalsContact O-CG 3.3Å; K189-D193 PolarHBondContact O-N 2.9Å; K189-I210 WeakPolarHBondContact CE-O 3.44Å; K189-I210 PolarHBondContact NZ-O 3.33Å
190	E	96.2	Very high	95.8	Very high	75 Å²	75	35 Å²	35	35%	0.35	19%	0.187	S	C	.	.	H	α-helix	trans	-60.5	-41.1	-177.8	-168.6	-178.9	177.1	0	0	111.9	I178 N187 L188 F192 D193 V194	I178-E190 HydrophobicContact CD1-CG 4.19Å; N187-E190 HydrophobicContact CB-CB 4.3Å; N187-E190 WeakPolarHBondContact O-CB 3.2Å; N187-E190 PolarHBondContact O-N 3.39Å; N187-E190 VanDerWaalsContact O-N 3.16Å; L188-E190 VanDerWaalsContact C-N 3.34Å; L188-E190 PolarHBondContact O-N 2.97Å; E190-F192 VanDerWaalsContact C-N 3.32Å; E190-F192 PolarHBondContact O-N 2.91Å; E190-D193 PolarHBondContact O-N 2.78Å; E190-V194 HydrophobicContact CG-CG2 4.34Å; E190-V194 WeakPolarHBondContact O-CB 3.21Å; E190-V194 WeakPolarHBondContact O-CG2 3.46Å; E190-V194 PolarHBondContact O-N 2.86Å
191	V	97.9	Very high	95.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.2	-48.2	176.1	172.6	0	0	0	0	111.5	L42 L102 V136 I178 C180 N187 L188 K189 A195	L42-V191 HydrophobicContact CD2-CG1 4.24Å; L102-V191 HydrophobicContact CD1-CG1 3.82Å; L102-V191 HydrophobicContact CD2-CG1 4.13Å; V136-V191 HydrophobicContact CG1-CG1 4.28Å; V136-V191 HydrophobicContact CG1-CG2 4.08Å; V136-V191 HydrophobicContact CG2-CG1 3.86Å; I178-V191 HydrophobicContact CB-CG2 4.07Å; I178-V191 HydrophobicContact CD1-CG2 4.42Å; I178-V191 HydrophobicContact CG2-CG2 3.61Å; C180-V191 HydrophobicContact CB-CG2 3.9Å; N187-V191 WeakPolarHBondContact O-CG2 3.37Å; N187-V191 PolarHBondContact O-N 2.94Å; N187-V191 VanDerWaalsContact O-N 3.09Å; L188-V191 PolarHBondContact O-N 3.35Å; K189-V191 VanDerWaalsContact C-N 3.33Å; K189-V191 PolarHBondContact O-N 3.34Å; V191-A195 WeakPolarHBondContact O-CB 3.35Å; V191-A195 PolarHBondContact O-N 3.46Å; V191-A195 VanDerWaalsContact O-N 3.13Å
192	F	96.4	Very high	93.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-77.9	-34.8	-178.2	-68	-79.9	0	0	0	112.5	L42 Y46 L76 L78 L102 L188 K189 E190 A195 I196	L42-F192 HydrophobicContact CD2-CE2 4.48Å; L42-F192 HydrophobicContact CD2-CZ 4.3Å; L42-F192 HydrophobicContact CG-CE2 3.99Å; L42-F192 HydrophobicContact CG-CZ 4.04Å; Y46-F192 AromaticContact CD1-CD1 3.95Å; Y46-F192 HydrophobicContact CD1-CD1 3.95Å; Y46-F192 AromaticContact CD1-CD2 3.7Å; Y46-F192 HydrophobicContact CD1-CD2 3.7Å; Y46-F192 HydrophobicContact CD1-CE1 4.03Å; Y46-F192 AromaticContact CD1-CE2 3.81Å; Y46-F192 HydrophobicContact CD1-CE2 3.81Å; Y46-F192 AromaticContact CD1-CG 3.78Å; Y46-F192 HydrophobicContact CD1-CG 3.78Å; Y46-F192 AromaticContact CD1-CZ 3.96Å; Y46-F192 HydrophobicContact CD1-CZ 3.96Å; Y46-F192 HydrophobicContact CD2-CB 4.14Å; Y46-F192 AromaticContact CD2-CD2 3.23Å; Y46-F192 HydrophobicContact CD2-CD2 3.23Å; Y46-F192 AromaticContact CD2-CE2 3.79Å; Y46-F192 HydrophobicContact CD2-CE2 3.79Å; Y46-F192 AromaticContact CD2-CG 3.81Å; Y46-F192 HydrophobicContact CD2-CG 3.81Å; Y46-F192 HydrophobicContact CE1-CB 4Å; Y46-F192 AromaticContact CE1-CD1 3.9Å; Y46-F192 HydrophobicContact CE1-CD1 3.9Å; Y46-F192 HydrophobicContact CE1-CD2 4.05Å; Y46-F192 HydrophobicContact CE1-CE1 4.41Å; Y46-F192 AromaticContact CE1-CG 3.7Å; Y46-F192 HydrophobicContact CE1-CG 3.7Å; Y46-F192 HydrophobicContact CE2-CB 3.57Å; Y46-F192 AromaticContact CE2-CD2 3.62Å; Y46-F192 HydrophobicContact CE2-CD2 3.62Å; Y46-F192 AromaticContact CE2-CG 3.72Å; Y46-F192 HydrophobicContact CE2-CG 3.72Å; Y46-F192 HydrophobicContact CG-CD1 4.36Å; Y46-F192 AromaticContact CG-CD2 3.26Å; Y46-F192 HydrophobicContact CG-CD2 3.26Å; Y46-F192 HydrophobicContact CG-CE1 4.41Å; Y46-F192 AromaticContact CG-CE2 3.35Å; Y46-F192 HydrophobicContact CG-CE2 3.35Å; Y46-F192 AromaticContact CG-CG 3.82Å; Y46-F192 HydrophobicContact CG-CG 3.82Å; Y46-F192 AromaticContact CG-CZ 3.94Å; Y46-F192 HydrophobicContact CG-CZ 3.94Å; Y46-F192 VanDerWaalsContact CZ-CB 3.49Å; Y46-F192 AromaticContact CZ-CG 3.67Å; L76-F192 HydrophobicContact CD2-CD1 4.38Å; L78-F192 HydrophobicContact CD1-CD1 4.43Å; L78-F192 HydrophobicContact CD1-CE1 3.82Å; L78-F192 HydrophobicContact CD1-CZ 4.42Å; L78-F192 HydrophobicContact CD2-CD1 3.93Å; L78-F192 HydrophobicContact CD2-CE1 3.66Å; L78-F192 HydrophobicContact CG-CE1 4.39Å; L102-F192 HydrophobicContact CD1-CE1 4.15Å; L188-F192 HydrophobicContact CD1-CE2 4.1Å; L188-F192 VanDerWaalsContact O-CD2 3.3Å; L188-F192 WeakPolarHBondContact O-CD2 3.35Å; K189-F192 PolarHBondContact O-N 3.45Å; E190-F192 VanDerWaalsContact C-N 3.32Å; E190-F192 PolarHBondContact O-N 2.91Å; F192-A195 PolarHBondContact O-N 3.34Å; F192-I196 WeakPolarHBondContact O-CB 3.35Å; F192-I196 VanDerWaalsContact O-CD1 3.3Å; F192-I196 WeakPolarHBondContact O-CD1 3.37Å; F192-I196 WeakPolarHBondContact O-CG1 3.5Å; F192-I196 PolarHBondContact O-N 3.4Å
193	D	94.6	Very high	91.7	Very high	31 Å²	31	50 Å²	50	17%	0.166	27%	0.27	C	S	.	.	H	α-helix	trans	-56.8	-53	172.4	-76.3	-4.2	0	0	0	110.2	K189 E190 A195 I196 L197 I210	K189-D193 IonicContact NZ-OD1 3.91Å; K189-D193 PolarHBondContact NZ-OD1 3.01Å; K189-D193 IonicContact NZ-OD2 3.56Å; K189-D193 PolarHBondContact NZ-OD2 3.29Å; K189-D193 WeakPolarHBondContact O-CB 3.42Å; K189-D193 VanDerWaalsContact O-CG 3.3Å; K189-D193 PolarHBondContact O-N 2.9Å; E190-D193 PolarHBondContact O-N 2.78Å; D193-A195 VanDerWaalsContact C-N 3.3Å; D193-A195 PolarHBondContact O-N 3.09Å; D193-I196 PolarHBondContact O-N 2.97Å; D193-L197 VanDerWaalsContact O-CG 3.27Å; D193-L197 WeakPolarHBondContact O-CG 3.35Å; D193-L197 PolarHBondContact O-N 3.48Å; D193-I210 HydrophobicContact CB-CD1 3.79Å; D193-I210 WeakPolarHBondContact OD1-CB 3.19Å; D193-I210 VanDerWaalsContact OD1-CG2 3.28Å; D193-I210 WeakPolarHBondContact OD1-CG2 3.3Å
194	V	95.7	Very high	89.5	Confident	18 Å²	18	48.7 Å²	48.7	11%	0.109	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-38.3	179.3	172.1	0	0	0	0	111.5	V134 V175 Q176 I178 E190 L197 A198	V134-V194 HydrophobicContact CG1-CG1 4.23Å; V134-V194 HydrophobicContact CG2-CG1 3.99Å; V175-V194 HydrophobicContact CG1-CG1 4.28Å; Q176-V194 HydrophobicContact CB-CG1 3.99Å; Q176-V194 VanDerWaalsContact OE1-CG2 3.31Å; I178-V194 HydrophobicContact CD1-CB 3.83Å; I178-V194 HydrophobicContact CD1-CG1 4.19Å; I178-V194 HydrophobicContact CD1-CG2 3.77Å; E190-V194 HydrophobicContact CG-CG2 4.34Å; E190-V194 WeakPolarHBondContact O-CB 3.21Å; E190-V194 WeakPolarHBondContact O-CG2 3.46Å; E190-V194 PolarHBondContact O-N 2.86Å; V194-L197 PolarHBondContact O-N 2.92Å; V194-A198 VanDerWaalsContact O-CB 3.23Å; V194-A198 WeakPolarHBondContact O-CB 3.45Å; V194-A198 PolarHBondContact O-N 3.28Å
195	A	96.7	Very high	87.4	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-44.1	175.4	0	0	0	0	0	112.7	V100 L102 V191 F192 D193 A198 A199	V100-A195 HydrophobicContact CG1-CB 4.11Å; V100-A195 HydrophobicContact CG2-CB 4.14Å; L102-A195 HydrophobicContact CD2-CB 3.89Å; V191-A195 WeakPolarHBondContact O-CB 3.35Å; V191-A195 PolarHBondContact O-N 3.46Å; V191-A195 VanDerWaalsContact O-N 3.13Å; F192-A195 PolarHBondContact O-N 3.34Å; D193-A195 VanDerWaalsContact C-N 3.3Å; D193-A195 PolarHBondContact O-N 3.09Å; A195-A198 PolarHBondContact O-N 3.48Å; A195-A199 WeakPolarHBondContact O-CB 3.33Å; A195-A199 PolarHBondContact O-N 3.2Å
196	I	95.1	Very high	85.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-44.8	177.3	-69.4	158.1	0	0	0	110.2	I27 V67 V69 L76 F192 D193 A199 L200 I210	I27-I196 HydrophobicContact CD1-CG2 4.24Å; V67-I196 HydrophobicContact CB-CD1 4.41Å; V67-I196 HydrophobicContact CG1-CD1 4.3Å; V67-I196 HydrophobicContact CG2-CD1 3.93Å; V69-I196 HydrophobicContact CG2-CG2 3.68Å; L76-I196 HydrophobicContact CD1-CG1 4.3Å; L76-I196 HydrophobicContact CD2-CD1 4.1Å; L76-I196 HydrophobicContact CD2-CG1 4.06Å; F192-I196 WeakPolarHBondContact O-CB 3.35Å; F192-I196 VanDerWaalsContact O-CD1 3.3Å; F192-I196 WeakPolarHBondContact O-CD1 3.37Å; F192-I196 WeakPolarHBondContact O-CG1 3.5Å; F192-I196 PolarHBondContact O-N 3.4Å; D193-I196 PolarHBondContact O-N 2.97Å; I196-A199 PolarHBondContact O-N 3.39Å; I196-L200 HydrophobicContact CG2-CD1 3.88Å; I196-L200 WeakPolarHBondContact O-CG 3.43Å; I196-L200 PolarHBondContact O-N 3.42Å; I196-I210 HydrophobicContact CD1-CG2 4.26Å
197	L	93.9	Very high	83.9	Confident	30 Å²	30	60.3 Å²	60.3	16%	0.157	33%	0.329	C	S	.	.	H	α-helix	trans	-67.4	-41	179.9	-63.8	-176	0	0	0	113	D193 V194 A199 L200 N201 L202 P208 I210	D193-L197 VanDerWaalsContact O-CG 3.27Å; D193-L197 WeakPolarHBondContact O-CG 3.35Å; D193-L197 PolarHBondContact O-N 3.48Å; V194-L197 PolarHBondContact O-N 2.92Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 3.48Å; L197-L200 PolarHBondContact O-N 3.03Å; L197-N201 PolarHBondContact O-N 3.31Å; L197-L202 HydrophobicContact CD2-CB 4.11Å; L197-L202 HydrophobicContact CD2-CD1 4.25Å; L197-L202 PolarHBondContact O-N 2.94Å; L197-P208 HydrophobicContact CD1-CG 3.37Å; L197-P208 HydrophobicContact CD2-CB 4.06Å; L197-P208 HydrophobicContact CD2-CG 3.18Å; L197-P208 HydrophobicContact CG-CG 3.83Å; L197-I210 HydrophobicContact CD1-CD1 4.35Å; L197-I210 HydrophobicContact CD2-CD1 3.95Å; L197-I210 HydrophobicContact CG-CD1 3.99Å
198	A	94.7	Very high	82.4	Confident	5 Å²	5	58.2 Å²	58.2	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-59.1	-45.3	172.1	0	0	0	0	0	111.5	V100 P132 V175 V194 A195 L200 N201	V100-A198 HydrophobicContact CG2-CB 4.16Å; P132-A198 HydrophobicContact CB-CB 3.93Å; P132-A198 HydrophobicContact CG-CB 3.98Å; V175-A198 HydrophobicContact CG1-CB 4.22Å; V175-A198 HydrophobicContact CG2-CB 4.04Å; V194-A198 VanDerWaalsContact O-CB 3.23Å; V194-A198 WeakPolarHBondContact O-CB 3.45Å; V194-A198 PolarHBondContact O-N 3.28Å; A195-A198 PolarHBondContact O-N 3.48Å; A198-L200 VanDerWaalsContact C-N 3.3Å; A198-L200 PolarHBondContact O-N 3.48Å; A198-N201 PolarHBondContact O-N 2.95Å
199	A	94.3	Very high	81.4	Confident	15 Å²	15	65.1 Å²	65.1	12%	0.124	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-32.8	178.7	0	0	0	0	0	113.6	I27 H99 V100 A195 I196 L197 N201	I27-A199 HydrophobicContact CD1-CB 4.32Å; I27-A199 HydrophobicContact CG2-CB 3.45Å; I27-A199 VanDerWaalsContact CG2-CB 3.45Å; H99-A199 HydrophobicContact CB-CB 3.82Å; V100-A199 HydrophobicContact CB-CB 4.06Å; V100-A199 HydrophobicContact CG1-CB 4.01Å; A195-A199 WeakPolarHBondContact O-CB 3.33Å; A195-A199 PolarHBondContact O-N 3.2Å; I196-A199 PolarHBondContact O-N 3.39Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 3.48Å; A199-N201 VanDerWaalsContact C-N 3.31Å
200	L	90.7	Very high	80.8	Confident	58 Å²	58	61.7 Å²	61.7	30%	0.304	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	0.7	178.5	-68.2	172.3	0	0	0	113.4	I27 V69 I74 I196 L197 A198 L202	I27-L200 HydrophobicContact CD1-CD1 4.06Å; I27-L200 HydrophobicContact CD1-CD2 3.64Å; I27-L200 HydrophobicContact CD1-CG 3.62Å; I27-L200 HydrophobicContact CG1-CD2 4.39Å; V69-L200 HydrophobicContact CG1-CD1 4.22Å; I74-L200 HydrophobicContact CD1-CD1 3.66Å; I74-L200 HydrophobicContact CD1-CD2 4.28Å; I196-L200 HydrophobicContact CG2-CD1 3.88Å; I196-L200 WeakPolarHBondContact O-CG 3.43Å; I196-L200 PolarHBondContact O-N 3.42Å; L197-L200 PolarHBondContact O-N 3.03Å; A198-L200 VanDerWaalsContact C-N 3.3Å; A198-L200 PolarHBondContact O-N 3.48Å; L200-L202 HydrophobicContact CB-CB 4.31Å; L200-L202 HydrophobicContact CB-CD1 3.7Å; L200-L202 HydrophobicContact CB-CG 3.68Å; L200-L202 HydrophobicContact CD1-CD1 3.79Å; L200-L202 HydrophobicContact CG-CD1 4.39Å; L200-L202 PolarHBondContact O-N 3.19Å
201	N	84.7	Confident	80.1	Confident	137 Å²	137	64.3 Å²	64.3	73%	0.733	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	29.5	-168.9	-60.3	-51.9	0	0	0	113	L197 A198 A199 T203	L197-N201 PolarHBondContact O-N 3.31Å; A198-N201 PolarHBondContact O-N 2.95Å; A199-N201 VanDerWaalsContact C-N 3.31Å; N201-T203 PolarHBondContact O-N 3.29Å
202	L	68.8	Low	79.1	Confident	73 Å²	73	65 Å²	65	38%	0.382	35%	0.349	S	S	.	.			trans	-91.8	74.9	177.7	-65.7	175.9	0	0	0	108.7	L197 L200	L197-L202 HydrophobicContact CD2-CB 4.11Å; L197-L202 HydrophobicContact CD2-CD1 4.25Å; L197-L202 PolarHBondContact O-N 2.94Å; L200-L202 HydrophobicContact CB-CB 4.31Å; L200-L202 HydrophobicContact CB-CD1 3.7Å; L200-L202 HydrophobicContact CB-CG 3.68Å; L200-L202 HydrophobicContact CD1-CD1 3.79Å; L200-L202 HydrophobicContact CG-CD1 4.39Å; L200-L202 PolarHBondContact O-N 3.19Å
203	T	55.2	Low	78	Confident	119 Å²	119	68.2 Å²	68.2	73%	0.73	36%	0.364	S	S	*	.			trans	-102.2	8.2	172.6	59.1	0	0	0	0	112.5	N201	N201-T203 PolarHBondContact O-N 3.29Å
204	A	48.8	Very low	76.5	Confident	64 Å²	64	71.7 Å²	71.7	53%	0.529	38%	0.379	S	S	.	.	S	Bend	trans	-68.9	153	178.2	0	0	0	0	0	111.6	I206	A204-I206 PolarHBondContact O-N 3.2Å
205	P	51.5	Low	74.5	Confident	137 Å²	137	75.2 Å²	75.2	89%	0.89	40%	0.4	S	S	*	.	S	Bend	trans	-66.2	2.3	-168.8	24.6	-34.6	0	0	0	116.1
206	I	56.7	Low	72.3	Confident	136 Å²	136	85 Å²	85	70%	0.697	44%	0.443	S	S	*	.	S	Bend	trans	-87.1	113.4	177.1	-57.2	174.3	0	0	0	108.1	A204 P208	A204-I206 PolarHBondContact O-N 3.2Å; I206-P208 WeakPolarHBondContact O-CD 3.26Å; I206-P208 VanDerWaalsContact O-N 3.11Å
207	K	62.6	Low	70.1	Confident	196 Å²	196	85.8 Å²	85.8	85%	0.852	45%	0.449	S	S	*	.			trans	-62.4	109	172.1	-68.6	-175.3	-179.2	-177.2	0	109.1
208	P	65.5	Low	68	Low	28 Å²	28	95.5 Å²	95.5	18%	0.182	48%	0.484	C	S	.	.			trans	-74.9	146.5	-178.5	28.3	-26.5	0	0	0	110.1	V69 N70 L197 I206 I210	V69-P208 HydrophobicContact CG1-CB 4.27Å; N70-P208 WeakPolarHBondContact OD1-CA 3.43Å; N70-P208 VanDerWaalsContact OD1-CB 3.29Å; N70-P208 WeakPolarHBondContact OD1-CB 3.34Å; L197-P208 HydrophobicContact CD1-CG 3.37Å; L197-P208 HydrophobicContact CD2-CB 4.06Å; L197-P208 HydrophobicContact CD2-CG 3.18Å; L197-P208 HydrophobicContact CG-CG 3.83Å; I206-P208 WeakPolarHBondContact O-CD 3.26Å; I206-P208 VanDerWaalsContact O-N 3.11Å; P208-I210 PolarHBondContact O-N 3.37Å
209	K	76.2	Confident	65.8	Low	154 Å²	154	99.8 Å²	99.8	67%	0.67	51%	0.505	S	S	*	.			trans	-81.7	114.4	175.6	-66.1	179.7	-176.4	174.6	0	108.4	V69 N70	V69-K209 CarbonylContact C-O 3.47Å; V69-K209 WeakPolarHBondContact CA-O 3.43Å; N70-K209 PolarHBondContact N-O 3.4Å; N70-K209 PolarHBondContact OD1-N 2.86Å
210	I	81.5	Confident	63.7	Low	18 Å²	18	102.3 Å²	102.3	9%	0.092	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.3	178.2	-52.8	179.3	0	0	0	110.2	T68 V69 K189 D193 I196 L197 P208	T68-I210 CarbonylContact O-C 3.54Å; T68-I210 VanDerWaalsContact O-CA 3.24Å; T68-I210 WeakPolarHBondContact O-CA 3.24Å; V69-I210 HydrophobicContact CG1-CG1 4.3Å; V69-I210 HydrophobicContact CG2-CG1 4.2Å; V69-I210 HydrophobicContact CG2-CG2 4.37Å; K189-I210 WeakPolarHBondContact CE-O 3.44Å; K189-I210 PolarHBondContact NZ-O 3.33Å; D193-I210 HydrophobicContact CB-CD1 3.79Å; D193-I210 WeakPolarHBondContact OD1-CB 3.19Å; D193-I210 VanDerWaalsContact OD1-CG2 3.28Å; D193-I210 WeakPolarHBondContact OD1-CG2 3.3Å; I196-I210 HydrophobicContact CD1-CG2 4.26Å; L197-I210 HydrophobicContact CD1-CD1 4.35Å; L197-I210 HydrophobicContact CD2-CD1 3.95Å; L197-I210 HydrophobicContact CG-CD1 3.99Å; P208-I210 PolarHBondContact O-N 3.37Å
211	F	80	Confident	61.7	Low	131 Å²	131	103.7 Å²	103.7	58%	0.575	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.7	174.3	-173.7	-95.6	0	0	0	110.4	V67 T68 H213	V67-F211 CarbonylContact C-O 3.5Å; V67-F211 VanDerWaalsContact CA-O 3.31Å; V67-F211 WeakPolarHBondContact CA-O 3.42Å; T68-F211 PolarHBondContact N-O 3.06Å; T68-F211 PolarHBondContact O-N 2.9Å; F211-H213 AromaticContact CD1-CE1 3.83Å; F211-H213 AromaticContact CD1-NE2 3.81Å; F211-H213 AromaticContact CE1-CE1 3.92Å; F211-H213 AromaticContact CE1-ND1 3.91Å
212	V	76.9	Confident	60.4	Low	15 Å²	15	106.6 Å²	106.6	9%	0.091	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.6	-178.6	-176.6	0	0	0	0	108.8	Y46 V67 H214	Y46-V212 HydrophobicContact CE2-CG1 4.31Å; Y46-V212 HydrophobicContact CE2-CG2 3.79Å; Y46-V212 VanDerWaalsContact OH-CG2 3.25Å; Y46-V212 WeakPolarHBondContact OH-CG2 3.29Å; V67-V212 HydrophobicContact CG1-CB 4.45Å; V67-V212 HydrophobicContact CG1-CG1 4.24Å; V67-V212 HydrophobicContact CG1-CG2 4.13Å; V212-H214 PolarHBondContact O-N 2.91Å
213	H	73.8	Confident	59.7	Low	66 Å²	66	106.8 Å²	106.8	31%	0.306	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	105.2	171.9	-61.9	-90.8	0	0	0	108.2	L66 T68 F211 V215	L66-H213 HydrophobicContact CB-CB 4.33Å; L66-H213 WeakPolarHBondContact O-CB 3.32Å; L66-H213 PolarHBondContact O-N 3.29Å; T68-H213 PolarHBondContact OG1-NE2 2.99Å; F211-H213 AromaticContact CD1-CE1 3.83Å; F211-H213 AromaticContact CD1-NE2 3.81Å; F211-H213 AromaticContact CE1-CE1 3.92Å; F211-H213 AromaticContact CE1-ND1 3.91Å; H213-V215 VanDerWaalsContact C-N 3.26Å; H213-V215 HydrophobicContact CB-CG2 4.39Å; H213-V215 PolarHBondContact O-N 3.34Å
214	H	63.8	Low	59.3	Low	105 Å²	105	105.8 Å²	105.8	49%	0.486	51%	0.514	S	S	.	.			trans	-70.3	84.8	173.6	-69.1	-78.2	0	0	0	110	Y46 T47 V212	Y46-H214 PolarHBondContact O-CE1 3.18Å; Y46-H214 PolarHBondContact O-ND1 3.04Å; T47-H214 PolarHBondContact O-ND1 3Å; V212-H214 PolarHBondContact O-N 2.91Å
215	V	53.6	Low	59.3	Low	92 Å²	92	112.4 Å²	112.4	56%	0.558	53%	0.531	S	S	*	.			trans	-97.6	130.1	167.1	-175.7	0	0	0	0	107	H213 A217	H213-V215 VanDerWaalsContact C-N 3.26Å; H213-V215 HydrophobicContact CB-CG2 4.39Å; H213-V215 PolarHBondContact O-N 3.34Å; V215-A217 PolarHBondContact O-N 2.98Å
216	K	49.1	Very low	58.9	Low	206 Å²	206	110.7 Å²	110.7	90%	0.896	51%	0.511	S	S	*	.			trans	-44	110.6	178.7	-79	-179	177.5	175.1	0	109.9	R218	K216-R218 PolarHBondContact O-N 3.37Å
217	A	50	Low	57.8	Low	16 Å²	16	113.8 Å²	113.8	13%	0.132	52%	0.519	C	S	.	.			trans	-59.7	129.3	176.4	0	0	0	0	0	108.8	Y63 V215 L219	Y63-A217 HydrophobicContact CD1-CB 3.88Å; V215-A217 PolarHBondContact O-N 2.98Å; A217-L219 VanDerWaalsContact C-N 3.3Å; A217-L219 PolarHBondContact O-N 3.21Å
218	R	48.9	Very low	56.4	Low	235 Å²	235	110.4 Å²	110.4	89%	0.887	51%	0.51	S	S	*	.			trans	-71.5	92.9	170.3	-173.4	172.4	171.3	154.3	-3	107.4	K216 S220	K216-R218 PolarHBondContact O-N 3.37Å; R218-S220 PolarHBondContact O-N 2.76Å; R218-S220 VanDerWaalsContact O-N 3.08Å
219	L	49.8	Very low	54.9	Low	94 Å²	94	115 Å²	115	49%	0.492	54%	0.538	S	S	.	.			trans	-59.3	106	175.3	-76.7	165.8	0	0	0	109.8	Y63 A217 M221	Y63-L219 HydrophobicContact CE1-CD2 3.51Å; A217-L219 VanDerWaalsContact C-N 3.3Å; A217-L219 PolarHBondContact O-N 3.21Å; L219-M221 HydrophobicContact CB-CG 4.01Å; L219-M221 HydrophobicContact CD2-CG 4.04Å; L219-M221 HydrophobicContact CD2-SD 4.28Å; L219-M221 PolarHBondContact O-N 3.46Å
220	S	49	Very low	52.6	Low	68 Å²	68	117.4 Å²	117.4	48%	0.476	54%	0.542	S	S	.	.			trans	-88.2	59.2	164.2	171.2	0	0	0	0	109.6	R218 R222	R218-S220 PolarHBondContact O-N 2.76Å; R218-S220 VanDerWaalsContact O-N 3.08Å; S220-R222 PolarHBondContact O-N 3.38Å
221	M	49.6	Very low	50.3	Low	87 Å²	87	122.5 Å²	122.5	43%	0.429	58%	0.577	S	S	.	*			trans	-66.5	100.9	-179.3	-59.9	-156.3	-52.9	0	0	111.1	D61 L219 R223	D61-M221 VanDerWaalsContact OD1-CA 3.29Å; D61-M221 WeakPolarHBondContact OD1-CA 3.38Å; L219-M221 HydrophobicContact CB-CG 4.01Å; L219-M221 HydrophobicContact CD2-CG 4.04Å; L219-M221 HydrophobicContact CD2-SD 4.28Å; L219-M221 PolarHBondContact O-N 3.46Å; M221-R223 VanDerWaalsContact C-N 3.33Å; M221-R223 HydrophobicContact CB-CG 4.19Å; M221-R223 PolarHBondContact O-N 2.96Å; M221-R223 PolarHBondContact SD-NE 3.39Å; M221-R223 PolarHBondContact SD-NH2 3.25Å; M221-R223 VanDerWaalsContact SD-NH2 3.37Å
222	R	56.7	Low	48	Very low	199 Å²	199	121.7 Å²	121.7	75%	0.751	59%	0.587	S	S	*	*			trans	-96.1	70.9	158.1	-71.2	-171.3	-178.5	-178.1	1.1	108.1	A59 D61 S220	A59-R222 WeakPolarHBondContact CB-O 3.48Å; D61-R222 PolarHBondContact OD1-N 3.19Å; S220-R222 PolarHBondContact O-N 3.38Å
223	R	54.6	Low	46.1	Very low	76 Å²	76	125.5 Å²	125.5	29%	0.287	62%	0.615	S	S	.	*	B	Isolated β-bridge	trans	-77.3	124.4	174.5	-76.8	169.9	171.5	-164.7	8.7	109.4	V56 M221 K225	V56-R223 HydrophobicContact CB-CG 4.27Å; V56-R223 HydrophobicContact CG1-CB 3.76Å; V56-R223 VanDerWaalsContact CG1-CD 3.49Å; V56-R223 HydrophobicContact CG1-CG 3.64Å; M221-R223 VanDerWaalsContact C-N 3.33Å; M221-R223 HydrophobicContact CB-CG 4.19Å; M221-R223 PolarHBondContact O-N 2.96Å; M221-R223 PolarHBondContact SD-NE 3.39Å; M221-R223 PolarHBondContact SD-NH2 3.25Å; M221-R223 VanDerWaalsContact SD-NH2 3.37Å; R223-K225 PolarHBondContact O-N 3.13Å
224	L	46.5	Very low	44.3	Very low	99 Å²	99	129 Å²	129	52%	0.518	64%	0.64	S	S	.	*			trans	-84	112.1	171.9	-146.9	81.9	0	0	0	108.2	F87 Q226	F87-L224 HydrophobicContact CZ-CD2 4.38Å; L224-Q226 VanDerWaalsContact C-N 3.32Å; L224-Q226 HydrophobicContact CD2-CG 4.23Å; L224-Q226 PolarHBondContact O-N 3.07Å
225	K	49.4	Very low	42.8	Very low	202 Å²	202	132.5 Å²	132.5	88%	0.878	66%	0.657	S	S	*	*			trans	-72.8	89.4	165.4	-75	-173.8	176.8	-176.7	0	108	R223 K227	R223-K225 PolarHBondContact O-N 3.13Å; K225-K227 PolarHBondContact O-N 3.34Å; K225-K227 VanDerWaalsContact O-N 3.09Å
226	Q	43.3	Very low	41.9	Very low	102 Å²	102	132 Å²	132	48%	0.477	66%	0.662	S	S	.	*			trans	-68.6	105.4	164.2	-86.1	-175.5	-14.9	0	0	108.2	L224 L228	L224-Q226 VanDerWaalsContact C-N 3.32Å; L224-Q226 HydrophobicContact CD2-CG 4.23Å; L224-Q226 PolarHBondContact O-N 3.07Å; Q226-L228 HydrophobicContact CB-CD1 4.5Å; Q226-L228 HydrophobicContact CB-CG 4.31Å; Q226-L228 PolarHBondContact O-N 3.14Å
227	K	32.9	Very low	41.2	Very low	201 Å²	201	130 Å²	130	87%	0.874	66%	0.661	S	S	*	*			trans	-67.8	75.9	155.3	-89.7	-178.5	172.2	-179	0	107.4	K225 T229	K225-K227 PolarHBondContact O-N 3.34Å; K225-K227 VanDerWaalsContact O-N 3.09Å; K227-T229 VanDerWaalsContact C-N 3.27Å; K227-T229 PolarHBondContact O-N 3.39Å; K227-T229 VanDerWaalsContact O-N 3.12Å
228	L	34.1	Very low	40.5	Very low	124 Å²	124	137.8 Å²	137.8	65%	0.649	69%	0.694	S	S	*	*			trans	-76.6	90.5	159.5	-80.6	165.5	0	0	0	106.5	Q226 R230	Q226-L228 HydrophobicContact CB-CD1 4.5Å; Q226-L228 HydrophobicContact CB-CG 4.31Å; Q226-L228 PolarHBondContact O-N 3.14Å; L228-R230 PolarHBondContact O-N 3.26Å; L228-R230 VanDerWaalsContact O-N 3.11Å
229	T	32.7	Very low	39.7	Very low	125 Å²	125	135.8 Å²	135.8	77%	0.767	69%	0.694	S	S	*	*			trans	-53.6	112.8	160.7	42.2	0	0	0	0	108	K227	K227-T229 VanDerWaalsContact C-N 3.27Å; K227-T229 PolarHBondContact O-N 3.39Å; K227-T229 VanDerWaalsContact O-N 3.12Å
230	R	28.2	Very low	39.1	Very low	204 Å²	204	137.2 Å²	137.2	77%	0.77	71%	0.709	S	S	*	*			trans	-54.5	131	171.3	-71.7	177.6	170.8	-177.5	-3.2	109.2	L228 S232	L228-R230 PolarHBondContact O-N 3.26Å; L228-R230 VanDerWaalsContact O-N 3.11Å; R230-S232 PolarHBondContact O-N 2.72Å
231	P	33.5	Very low	38.7	Very low	125 Å²	125	137.5 Å²	137.5	81%	0.812	72%	0.724	S	S	*	*			trans	-72.2	109.2	153.6	7.2	8.3	0	0	0	107.3	S233	P231-S233 VanDerWaalsContact C-N 3.34Å; P231-S233 PolarHBondContact O-N 3.38Å
232	S	32.3	Very low	38.2	Very low	114 Å²	114	141.7 Å²	141.7	80%	0.797	75%	0.747	S	S	*	*			trans	-80	78.9	167.5	54.3	0	0	0	0	109.4	R230	R230-S232 PolarHBondContact O-N 2.72Å
233	S	35.8	Very low	37.2	Very low	96 Å²	96	137.5 Å²	137.5	67%	0.671	75%	0.746	S	S	*	*			trans	-155	89.6	166.5	-42.3	0	0	0	0	109.6	P231 E235	P231-S233 VanDerWaalsContact C-N 3.34Å; P231-S233 PolarHBondContact O-N 3.38Å; S233-E235 VanDerWaalsContact C-N 3.28Å
234	V	36.9	Very low	36.2	Very low	138 Å²	138	139.4 Å²	139.4	84%	0.836	77%	0.766	S	S	*	*			trans	-88.7	80.5	149.7	-172.6	0	0	0	0	105.1
235	E	31.9	Very low	35.6	Very low	179 Å²	179	143.6 Å²	143.6	84%	0.836	78%	0.78	S	S	*	*			trans	-91.5	91.1	147.6	-80	179.6	141	0	0	103.6	S233	S233-E235 VanDerWaalsContact C-N 3.28Å
236	A	34.9	Very low	34.9	Very low	81 Å²	81	145.1 Å²	145.1	67%	0.669	78%	0.781	S	S	*	*				46.3	80.3	82.3	0	0	0	0	0	110.6	Q238	A236-Q238 PolarHBondContact O-N 3.39Å; A236-Q238 VanDerWaalsContact O-N 3.09Å
237	L	33.9	Very low	34.6	Very low	165 Å²	165	148.3 Å²	148.3	86%	0.864	80%	0.795	S	S	*	*			trans	-46.1	109.1	151.4	-80.7	150.5	0	0	0	109.2
238	Q	36.3	Very low	35	Very low	180 Å²	180	145.8 Å²	145.8	84%	0.841	79%	0.79	S	S	*	*			trans	-170.5	109.7	143.7	-107.4	151.7	-28.6	0	0	109.7	A236 P240	A236-Q238 PolarHBondContact O-N 3.39Å; A236-Q238 VanDerWaalsContact O-N 3.09Å; Q238-P240 WeakPolarHBondContact O-CD 3.5Å
239	H	31.6	Very low	35.3	Very low	192 Å²	192	144.3 Å²	144.3	89%	0.889	79%	0.791	S	S	*	*			trans	-53.1	139.9	160.1	-69.4	-83.7	0	0	0	109.9
240	P	37.2	Very low	35.8	Very low	124 Å²	124	143.4 Å²	143.4	81%	0.805	79%	0.789	S	S	*	*				-145.8	160.6	124.8	34.9	-19	0	0	0	113.1	Q238	Q238-P240 WeakPolarHBondContact O-CD 3.5Å
241	G	40.4	Very low	36.5	Very low	75 Å²	75	139.4 Å²	139.4	77%	0.773	79%	0.788	S	S	*	*			trans	100.6	87.4	142.3	0	0	0	0	0	116.6
242	L	40.3	Very low	36.9	Very low	174 Å²	174	138.5 Å²	138.5	91%	0.911	79%	0.785	S	S	*	*			trans	-49.7	145.7	139.5	-83	123.6	0	0	0	111.3
243	C	33.8	Very low	37.3	Very low	111 Å²	111	138 Å²	138	75%	0.75	79%	0.787	S	S	*	*			trans	82.7	106.1	145.7	-107.9	0	0	0	0	121.8
244	V	35.2	Very low	37.5	Very low	116 Å²	116	141.4 Å²	141.4	70%	0.703	80%	0.796	S	S	*	*				83	111.1	117.4	175.1	0	0	0	0	121
245	K	32.6	Very low	37.7	Very low	187 Å²	187	140 Å²	140	81%	0.813	79%	0.789	S	S	*	*			trans	53.9	121.7	137.1	-65.3	178.6	179.1	177.5	0	121.4
246	R	34.5	Very low	38	Very low	235 Å²	235	138 Å²	138	89%	0.887	79%	0.79	S	S	*	*				165.7	116.5	111.6	-86	171.3	-155.2	-171.9	5.8	108.1
247	H	38.3	Very low	38	Very low	169 Å²	169	141.5 Å²	141.5	78%	0.782	80%	0.796	S	S	*	*				48.3	124.3	94.5	-87.5	-62	0	0	0	112.4
248	L	41.4	Very low	38.2	Very low	147 Å²	147	138.9 Å²	138.9	77%	0.77	79%	0.787	S	S	*	*			cis	-170.2	159.7	37.1	-95.5	136.2	0	0	0	111.4
249	S	40.6	Very low	38.1	Very low	94 Å²	94	138.4 Å²	138.4	66%	0.657	79%	0.785	S	S	*	*			trans	62	113.2	141.9	66.7	0	0	0	0	120.5
250	S	42.5	Very low	38.1	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	78%	0.775	S	S	*	*				99.9	140.6	81.1	76.9	0	0	0	0	109.8
251	T	43.3	Very low	38.1	Very low	120 Å²	120	135.5 Å²	135.5	74%	0.736	78%	0.775	S	S	*	*			cis	-165.9	147.6	8.2	-28.3	0	0	0	0	107.4
252	S	40.5	Very low	37.6	Very low	106 Å²	106	137.1 Å²	137.1	74%	0.741	77%	0.774	S	S	*	*			trans	33.9	127	145.6	64	0	0	0	0	122.5
253	A	41.9	Very low	37.5	Very low	102 Å²	102	133.8 Å²	133.8	84%	0.843	77%	0.766	S	S	*	*				175.3	158.3	100.5	0	0	0	0	0	111.9
254	I	39.6	Very low	37.5	Very low	168 Å²	168	139.5 Å²	139.5	86%	0.862	77%	0.771	S	S	*	*			trans	-100	162.4	-154.5	-76.1	169	0	0	0	112.7
255	P	42.1	Very low	37.6	Very low	108 Å²	108	143.3 Å²	143.3	70%	0.701	78%	0.781	S	S	*	*			trans	-113.5	169.4	-162	40.5	-27.5	0	0	0	115.4
256	T	37.7	Very low	37.7	Very low	137 Å²	137	143.3 Å²	143.3	84%	0.84	79%	0.785	S	S	*	*			trans	176.1	150.1	156.5	39.6	0	0	0	0	107.7
257	L	35.3	Very low	37.8	Very low	155 Å²	155	139.3 Å²	139.3	81%	0.812	79%	0.786	S	S	*	*			cis	-173.4	157.1	-15.5	-123.7	175.6	0	0	0	104.7
258	V	38.2	Very low	37.6	Very low	110 Å²	110	137.9 Å²	137.9	67%	0.667	78%	0.784	S	S	*	*			trans	87.8	110.1	151.4	179.5	0	0	0	0	120.8
259	E	33.4	Very low	37.2	Very low	170 Å²	170	135.7 Å²	135.7	79%	0.794	78%	0.78	S	S	*	*			trans	71.2	125.5	134.8	-74.8	175.9	178.8	0	0	125.1
260	S	31.5	Very low	37	Very low	97 Å²	97	140.4 Å²	140.4	68%	0.678	79%	0.788	S	S	*	*				98.5	131.5	125.8	-74.5	0	0	0	0	121
261	I	37	Very low	36.3	Very low	159 Å²	159	143.7 Å²	143.7	82%	0.815	80%	0.797	S	S	*	*			trans	92.6	104	152.6	-57.8	147.6	0	0	0	118.4
262	S	30.3	Very low	36.1	Very low	108 Å²	108	144 Å²	144	76%	0.755	80%	0.801	S	S	*	*				26.4	117.8	129.8	-160.4	0	0	0	0	119.3
263	S	37.1	Very low	36	Very low	104 Å²	104	144 Å²	144	73%	0.727	80%	0.801	S	S	*	*				174.5	141.8	122.9	48	0	0	0	0	112.5
264	R	34.9	Very low	35.4	Very low	231 Å²	231	147.7 Å²	147.7	87%	0.872	80%	0.798	S	S	*	*			trans	42.4	120.7	143.1	-65.9	175.4	175.9	-152.2	-2.1	118.7
265	Q	37.6	Very low	35.3	Very low	196 Å²	196	151.6 Å²	151.6	92%	0.916	80%	0.802	S	S	*	*				-170.5	135.4	112	-104.2	164.7	7	0	0	112.2
266	Q	33.3	Very low	34.9	Very low	188 Å²	188	155.8 Å²	155.8	88%	0.879	81%	0.809	S	S	*	*			trans	-66.9	146	171	-67.2	172.6	-50.2	0	0	110.8
267	V	37.9	Very low	34.9	Very low	150 Å²	150	152.4 Å²	152.4	91%	0.909	80%	0.802	S	S	*	*			trans	-132.9	121.8	146.9	-166.6	0	0	0	0	108.3
268	N	32.9	Very low	35	Very low	140 Å²	140	150.1 Å²	150.1	75%	0.749	80%	0.799	S	S	*	*			trans	-101.7	172.3	179.1	-164	2.6	0	0	0	108.7
269	C	33.7	Very low	35	Very low	100 Å²	100	156 Å²	156	68%	0.676	81%	0.809	S	S	*	*			trans	98.9	139.8	169.1	-51	0	0	0	0	116
270	K	36.3	Very low	35.5	Very low	194 Å²	194	153.6 Å²	153.6	84%	0.843	81%	0.806	S	S	*	*			cis	-176.9	134.5	-13.1	-111.1	169.9	-175.9	-178.8	0	104.1
271	L	28.6	Very low	36.1	Very low	174 Å²	174	153.7 Å²	153.7	91%	0.911	81%	0.807	S	S	*	*			trans	-83.8	156.9	163.3	-80.2	155.6	0	0	0	110.2
272	P	39.2	Very low	36.3	Very low	127 Å²	127	153.9 Å²	153.9	83%	0.825	81%	0.809	S	S	*	*			trans	-128.7	154.9	144.8	28.6	-12	0	0	0	114.3
273	S	37.1	Very low	37	Very low	106 Å²	106	152.1 Å²	152.1	74%	0.741	80%	0.801	S	S	*	*			trans	-93.1	154.5	-169.4	54.9	0	0	0	0	114.8
274	F	30.1	Very low	37.2	Very low	180 Å²	180	154.9 Å²	154.9	79%	0.789	81%	0.808	S	S	*	*			trans	53	123	139.1	-107.2	-100.1	0	0	0	121.4
275	R	36.8	Very low	37.2	Very low	250 Å²	250	147.2 Å²	147.2	94%	0.943	80%	0.801	S	S	*	*				-165.8	137.5	118.8	-109.1	177.8	-177.3	-162.2	0.9	112.2
276	K	33.9	Very low	37.4	Very low	196 Å²	196	143.5 Å²	143.5	85%	0.852	79%	0.793	S	S	*	*			trans	-92.5	151.1	173.3	-82	178.5	173.1	177	0	111
277	G	37.7	Very low	37.7	Very low	66 Å²	66	140.1 Å²	140.1	68%	0.68	79%	0.786	S	S	*	*			trans	178.1	101.4	157.2	0	0	0	0	0	107.7
278	S	38.5	Very low	37.6	Very low	107 Å²	107	142 Å²	142	75%	0.748	78%	0.782	S	S	*	*				86.4	117.6	70.8	70.2	0	0	0	0	114.4
279	R	37.4	Very low	37.9	Very low	233 Å²	233	140.8 Å²	140.8	88%	0.879	78%	0.784	S	S	*	*			trans	71.9	141.7	150.3	-68.7	-179.7	-178.3	-175.1	0.2	115.8
280	T	44.6	Very low	37.7	Very low	120 Å²	120	145.3 Å²	145.3	74%	0.736	79%	0.793	S	S	*	*			cis	-172.5	133.4	17.2	20.1	0	0	0	0	106.4
281	S	43.9	Very low	37.2	Very low	99 Å²	99	147.6 Å²	147.6	69%	0.692	80%	0.796	S	S	*	*				102.1	134.4	97.4	67.6	0	0	0	0	115.7
282	N	41.5	Very low	37.1	Very low	162 Å²	162	144.6 Å²	144.6	87%	0.866	79%	0.789	S	S	*	*			trans	68.5	146.5	152.5	-74.1	-1.2	0	0	0	119.1
283	A	44.8	Very low	36.7	Very low	72 Å²	72	144.2 Å²	144.2	60%	0.595	79%	0.787	S	S	*	*			cis	-172.5	161	-8.8	0	0	0	0	0	108.5
284	N	41.1	Very low	36.4	Very low	162 Å²	162	148.9 Å²	148.9	87%	0.866	79%	0.794	S	S	*	*			trans	75.3	119.9	153.5	-61.8	-14.7	0	0	0	121.6
285	G	34.6	Very low	36.4	Very low	70 Å²	70	149 Å²	149	72%	0.722	80%	0.799	S	S	*	*			trans	-86.7	-145.3	161.4	0	0	0	0	0	112.4
286	P	42	Very low	36.1	Very low	117 Å²	117	142.4 Å²	142.4	76%	0.76	79%	0.789	S	S	*	*			cis	-137.3	-174.5	-19.8	28.7	-4.3	0	0	0	114.4
287	T	39.7	Very low	36	Very low	117 Å²	117	137.1 Å²	137.1	72%	0.718	78%	0.781	S	S	*	*			trans	92.8	117.6	151.7	79.4	0	0	0	0	121.5
288	K	35.5	Very low	35.7	Very low	191 Å²	191	140.9 Å²	140.9	83%	0.83	79%	0.786	S	S	*	*				146.1	140.9	107.5	-84.2	-162.1	-179.2	170.7	0	115.2
289	S	38.4	Very low	35.4	Very low	114 Å²	114	142.4 Å²	142.4	80%	0.797	79%	0.791	S	S	*	*			trans	70.1	118.2	157	60.1	0	0	0	0	118.5
290	K	30.1	Very low	35.1	Very low	195 Å²	195	139.9 Å²	139.9	85%	0.848	79%	0.789	S	S	*	*			cis	104.3	98.4	42.1	-172.6	-176.4	-160.9	-175.4	0	109.4
291	W	26.9	Very low	34.4	Very low	242 Å²	242	138.7 Å²	138.7	92%	0.917	79%	0.792	S	S	*	*			trans	-152.8	130.8	152.2	-102.1	87.5	0	0	0	109
292	S	25.5	Very low	34	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	80%	0.797	S	S	*	*			trans	-138.9	138.3	170.8	-54.2	0	0	0	0	107.5
293	P	31.7	Very low	33.6	Very low	119 Å²	119	143.4 Å²	143.4	77%	0.773	80%	0.795	S	S	*	*			trans	-116.1	133.9	151.1	10	10.5	0	0	0	111
294	K	29.4	Very low	33	Very low	205 Å²	205	151 Å²	151	89%	0.891	81%	0.808	S	S	*	*			trans	-73.3	140.4	160.5	-77.8	174.9	171	177	0	109.2
295	M	30.6	Very low	32.9	Very low	181 Å²	181	148.3 Å²	148.3	89%	0.892	80%	0.798	S	S	*	*			trans	-144.9	152.1	156.7	-85	-70.4	171.2	0	0	108.9
296	P	31.2	Very low	32.9	Very low	112 Å²	112	147.1 Å²	147.1	73%	0.727	79%	0.786	S	S	*	*			trans	-94.5	171.6	-148.4	36.5	-32.6	0	0	0	114.8
297	A	31.6	Very low	32.4	Very low	85 Å²	85	150 Å²	150	70%	0.702	78%	0.781	S	S	*	*			trans	-53.3	138.7	165.1	0	0	0	0	0	110.9
298	D	31.5	Very low	32.1	Very low	145 Å²	145	154.7 Å²	154.7	78%	0.775	79%	0.786	S	S	*	*			trans	177.8	122	133.6	-80.6	-22.5	0	0	0	110	E300	D298-E300 PolarHBondContact O-N 3.09Å
299	T	31.2	Very low	32.4	Very low	139 Å²	139	149.5 Å²	149.5	85%	0.853	76%	0.761	S	S	*	*	S	Bend	trans	52.9	58.7	140.3	-25.7	0	0	0	0	119.4
300	E	30.5	Very low	32.5	Very low	180 Å²	180	148.2 Å²	148.2	84%	0.841	74%	0.741	S	S	*	*			trans	-141.2	8.4	169.3	-121	-175.4	158	0	0	116.1	D298	D298-E300 PolarHBondContact O-N 3.09Å
301	A	31.1	Very low	32.7	Very low	96 Å²	96	144.8 Å²	144.8	79%	0.793	73%	0.732	S	S	*	*	S	Bend	trans	-99.5	3.6	-174.7	0	0	0	0	0	115.8
302	K	34.5	Very low	33.1	Very low	182 Å²	182	138 Å²	138	79%	0.791	72%	0.72	S	S	*	*	S	Bend	trans	-103.4	-10.6	-175.2	-100.5	-177.6	174.9	-177.5	0	116.4
303	E	33.2	Very low	33.4	Very low	178 Å²	178	138.8 Å²	138.8	83%	0.832	71%	0.71	S	S	*	*	S	Bend	trans	-103.9	-6.8	-172.5	-71.9	-173.1	155.8	0	0	115.4
304	R	33.2	Very low	33.4	Very low	231 Å²	231	142.1 Å²	142.1	87%	0.872	74%	0.736	S	S	*	*	S	Bend	trans	-99.2	-6	-173	-89.2	179.4	159.2	170.7	-3.9	117
305	T	38.7	Very low	33.6	Very low	105 Å²	105	139 Å²	139	64%	0.644	73%	0.728	S	S	*	*	S	Bend	trans	-106.6	-11.6	-176.9	46.6	0	0	0	0	114.8
306	G	33.9	Very low	33.7	Very low	46 Å²	46	136.8 Å²	136.8	47%	0.474	72%	0.72	S	S	.	*	S	Bend	trans	-79.1	-28.1	-171.3	0	0	0	0	0	116.9
307	W	31	Very low	33.9	Very low	177 Å²	177	138.2 Å²	138.2	67%	0.67	72%	0.719	S	S	*	*	S	Bend	trans	-109	-13.4	-166.9	-68.2	89.6	0	0	0	115.6
308	R	34.7	Very low	34	Very low	215 Å²	215	141.3 Å²	141.3	81%	0.811	72%	0.72	S	S	*	*	S	Bend	trans	-95.6	-12	-174.3	-77.5	-176.1	174.6	-112.2	1.1	115.8
309	R	42.2	Very low	34.2	Very low	82 Å²	82	141.1 Å²	141.1	31%	0.309	72%	0.717	S	S	.	*	G	3₁₀ helix	trans	-82.8	-7	177.3	-79.7	-173.4	-171.5	174.1	6.1	114.9	E157 L311	E157-R309 IonicContact OE1-CZ 2.62Å; E157-R309 IonicContact OE1-NH1 3.14Å; E157-R309 PolarHBondContact OE1-NH1 3.26Å; E157-R309 IonicContact OE1-NH2 3.35Å; E157-R309 PolarHBondContact OE1-NH2 3.46Å; E157-R309 IonicContact OE2-CZ 3.44Å; E157-R309 IonicContact OE2-NH1 3.56Å; E157-R309 PolarHBondContact OE2-NH1 3.23Å; E157-R309 IonicContact OE2-NH2 2.85Å; E157-R309 PolarHBondContact OE2-NH2 3.23Å; E157-R309 VanDerWaalsContact OE2-NH2 3.14Å; R309-L311 VanDerWaalsContact C-N 3.3Å; R309-L311 PolarHBondContact O-N 3.48Å
310	F	40.3	Very low	34.4	Very low	87 Å²	87	141.2 Å²	141.2	38%	0.382	71%	0.708	S	S	.	*	G	3₁₀ helix	trans	-79	-6.3	179.7	-87.5	-95.7	0	0	0	114.9	G35 A36	G35-F310 VanDerWaalsContact C-CZ 3.49Å; A36-F310 HydrophobicContact CB-CD1 3.9Å; A36-F310 HydrophobicContact CB-CE1 3.2Å; A36-F310 HydrophobicContact CB-CZ 3.68Å
311	L	33.7	Very low	34.7	Very low	123 Å²	123	138.4 Å²	138.4	64%	0.644	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-94.1	0.1	-173.8	-76.1	164.8	0	0	0	115	R309	R309-L311 VanDerWaalsContact C-N 3.3Å; R309-L311 PolarHBondContact O-N 3.48Å
312	C	35	Very low	34.9	Very low	99 Å²	99	141.7 Å²	141.7	67%	0.669	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-96.7	14.3	177.9	-77	0	0	0	0	114.7
313	F	33.2	Very low	35	Very low	128 Å²	128	138.3 Å²	138.3	56%	0.561	68%	0.683	S	S	*	*			trans	-113.1	82.8	172.8	-71.9	-82.7	0	0	0	109.7	L142	L142-F313 HydrophobicContact CD1-CE1 4.37Å
314	S	30.4	Very low	35.1	Very low	189 Å²	189	134.7 Å²	134.7	100%	1.322	67%	0.669	S	S	*	*			trans	-145.2	0	160.4	-67.2	0	0	0	0	108

Retrieved 314 of 314 residues in 123.7 ms (Link to these results)

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