RAN3_ORYSJ Loading...

GTP-binding nuclear protein Ran-3

GTP-binding protein involved in nucleocytoplasmic transport. Required for the import of protein into the nucleus and also for RNA export. Involved in chromatin condensation and control of cell cycle (By similarity).

AlphaFold DB , UniProt , Accession Q69XM7, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene RAN3, Length 226 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	50.2	Low	243 Å²	243	117 Å²	117	100%	1.197	65%	0.651	S	S	*	*				0	109.3	0	-66.3	-179.2	-160.8	0	0	107.6	R3	M1-R3 PolarHBondContact O-N 3.37Å
2	S	35.3	Very low	52.5	Low	119 Å²	119	116.3 Å²	116.3	83%	0.832	67%	0.672	S	S	*	*			trans	-66.5	114.8	173.1	170.2	0	0	0	0	107.7	A4	S2-A4 PolarHBondContact O-N 2.96Å
3	R	35.7	Very low	55.4	Low	235 Å²	235	110.9 Å²	110.9	89%	0.887	64%	0.642	S	S	*	*			trans	-65.6	103	167.5	-90.7	-179.3	164.8	175.4	-4.9	106	M1 Q5	M1-R3 PolarHBondContact O-N 3.37Å; R3-Q5 VanDerWaalsContact C-N 3.33Å; R3-Q5 PolarHBondContact O-N 3.29Å
4	A	41.2	Very low	58.1	Low	53 Å²	53	109.6 Å²	109.6	44%	0.438	66%	0.664	S	S	.	*			trans	-58.8	101.4	167.6	0	0	0	0	0	107.3	S2 A6	S2-A4 PolarHBondContact O-N 2.96Å; A4-A6 PolarHBondContact O-N 2.86Å
5	Q	44.4	Very low	60.5	Low	184 Å²	184	106.3 Å²	106.3	86%	0.86	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-65.9	118	170.3	-78	177	-28.9	0	0	106.5	R3 L7	R3-Q5 VanDerWaalsContact C-N 3.33Å; R3-Q5 PolarHBondContact O-N 3.29Å; Q5-L7 PolarHBondContact O-N 3.2Å
6	A	53.7	Low	62.7	Low	42 Å²	42	103.8 Å²	103.8	35%	0.347	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-54.4	132.5	173.4	0	0	0	0	0	108.5	A4	A4-A6 PolarHBondContact O-N 2.86Å
7	L	56.3	Low	64.6	Low	87 Å²	87	100.4 Å²	100.4	46%	0.455	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-54.9	142.9	171.5	-68.5	164.3	0	0	0	108.8	Q5 D9 V52 W71	Q5-L7 PolarHBondContact O-N 3.2Å; L7-D9 PolarHBondContact O-N 3.36Å; L7-V52 HydrophobicContact CD1-CG1 3.36Å; L7-W71 HydrophobicContact CB-CH2 3.66Å; L7-W71 HydrophobicContact CB-CZ3 4.09Å; L7-W71 HydrophobicContact CD1-CZ3 4.28Å; L7-W71 WeakPolarHBondContact O-CH2 3.31Å
8	P	57.5	Low	66.4	Low	116 Å²	116	96.5 Å²	96.5	75%	0.753	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-58.9	129.7	-176.5	22.7	-31.7	0	0	0	110.2
9	D	60.2	Low	68	Low	88 Å²	88	91.7 Å²	91.7	47%	0.471	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-61.4	150.2	174.8	-88.3	-36.6	0	0	0	110.4	L7	L7-D9 PolarHBondContact O-N 3.36Å
10	P	63.9	Low	69.5	Low	37 Å²	37	87.2 Å²	87.2	24%	0.24	52%	0.522	C	S	.	.	S	Bend	trans	-53.7	152.1	175.4	-24.5	34.6	0	0	0	111.8	A12 V54 C69	P10-A12 PolarHBondContact O-N 3.33Å; P10-V54 HydrophobicContact CG-CG1 3.6Å; P10-C69 HydrophobicContact CG-CB 3.91Å; P10-C69 VanDerWaalsContact CG-SG 3.55Å
11	A	69.4	Low	70.8	Confident	83 Å²	83	83 Å²	83	69%	0.686	50%	0.497	S	S	*	.			trans	-43.1	133.5	-175.7	0	0	0	0	0	113.1	V13	A11-V13 PolarHBondContact O-N 3.17Å
12	A	77.7	Confident	73.7	Confident	109 Å²	109	71.5 Å²	71.5	90%	0.901	44%	0.441	S	S	*	.			trans	-56.4	136.1	178.7	0	0	0	0	0	110.8	P10	P10-A12 PolarHBondContact O-N 3.33Å
13	V	90	Very high	76.6	Confident	46 Å²	46	65.8 Å²	65.8	28%	0.279	40%	0.401	S	S	.	.			trans	-118.9	155.6	-180	-72.2	0	0	0	0	110.5	A11 Y15	A11-V13 PolarHBondContact O-N 3.17Å; V13-Y15 HydrophobicContact CB-CD1 4.09Å; V13-Y15 HydrophobicContact CB-CE1 3.75Å; V13-Y15 HydrophobicContact CB-CE2 4.35Å; V13-Y15 HydrophobicContact CB-CG 4.49Å; V13-Y15 HydrophobicContact CG1-CE1 4.14Å; V13-Y15 HydrophobicContact CG2-CD1 4.42Å; V13-Y15 HydrophobicContact CG2-CD2 4.11Å; V13-Y15 HydrophobicContact CG2-CE1 4.24Å; V13-Y15 HydrophobicContact CG2-CE2 3.96Å; V13-Y15 HydrophobicContact CG2-CG 4.34Å; V13-Y15 WeakPolarHBondContact CG2-O 3.49Å; V13-Y15 PolarHBondContact O-N 3.3Å; V13-Y15 VanDerWaalsContact O-N 3.12Å
14	G	93.1	Very high	79.5	Confident	92 Å²	92	54.6 Å²	54.6	95%	0.948	36%	0.359	S	S	*	.	S	Bend	trans	-77.3	17.6	179.9	0	0	0	0	0	115.4
15	Y	94.2	Very high	82	Confident	60 Å²	60	53.1 Å²	53.1	24%	0.235	34%	0.343	C	S	.	.	S	Bend	trans	-143.6	164.7	-179.2	53.5	-92.8	0	0	0	110	V13 S17 D58 K65 R67	V13-Y15 HydrophobicContact CB-CD1 4.09Å; V13-Y15 HydrophobicContact CB-CE1 3.75Å; V13-Y15 HydrophobicContact CB-CE2 4.35Å; V13-Y15 HydrophobicContact CB-CG 4.49Å; V13-Y15 HydrophobicContact CG1-CE1 4.14Å; V13-Y15 HydrophobicContact CG2-CD1 4.42Å; V13-Y15 HydrophobicContact CG2-CD2 4.11Å; V13-Y15 HydrophobicContact CG2-CE1 4.24Å; V13-Y15 HydrophobicContact CG2-CE2 3.96Å; V13-Y15 HydrophobicContact CG2-CG 4.34Å; V13-Y15 WeakPolarHBondContact CG2-O 3.49Å; V13-Y15 PolarHBondContact O-N 3.3Å; V13-Y15 VanDerWaalsContact O-N 3.12Å; Y15-S17 PolarHBondContact O-N 2.96Å; Y15-D58 PolarHBondContact OH-OD1 3.04Å; Y15-D58 PolarHBondContact OH-OD2 2.64Å; Y15-K65 HydrophobicContact CD1-CB 4.48Å; Y15-K65 HydrophobicContact CD1-CD 4.44Å; Y15-K65 HydrophobicContact CD2-CB 3.92Å; Y15-K65 HydrophobicContact CD2-CD 4.33Å; Y15-K65 HydrophobicContact CD2-CG 3.91Å; Y15-K65 HydrophobicContact CE1-CD 3.95Å; Y15-K65 HydrophobicContact CE2-CB 4.18Å; Y15-K65 HydrophobicContact CE2-CD 3.78Å; Y15-K65 HydrophobicContact CE2-CG 3.66Å; Y15-K65 HydrophobicContact CG-CB 4.07Å; Y15-K65 HydrophobicContact CG-CG 4.44Å; Y15-K65 WeakPolarHBondContact OH-CE 3.31Å; Y15-K65 PolarHBondContact OH-NZ 3.17Å; Y15-R67 HydrophobicContact CD2-CB 4.49Å; Y15-R67 HydrophobicContact CE2-CB 3.83Å; Y15-R67 PolarHBondContact OH-NH2 3.48Å
16	P	95.5	Very high	84.4	Confident	67 Å²	67	45.3 Å²	45.3	44%	0.435	31%	0.312	S	S	.	.			trans	-54.6	128.6	-176.1	-27.7	35.7	0	0	0	112.8	F18 V66 R67	P16-F18 HydrophobicContact CB-CE2 3.89Å; P16-F18 HydrophobicContact CB-CZ 4.03Å; P16-V66 HydrophobicContact CB-CG2 4.5Å; P16-R67 PolarHBondContact O-N 2.96Å
17	S	96.1	Very high	86.3	Confident	46 Å²	46	44.5 Å²	44.5	32%	0.322	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.4	179.4	-173.7	0	0	0	0	109.5	Y15 R67 C69	Y15-S17 PolarHBondContact O-N 2.96Å; S17-R67 CarbonylContact C-O 3.55Å; S17-R67 WeakPolarHBondContact CA-O 3.47Å; S17-C69 PolarHBondContact OG-SG 3.35Å; S17-C69 VanDerWaalsContact OG-SG 3.35Å
18	F	96.9	Very high	88.2	Confident	30 Å²	30	40.4 Å²	40.4	13%	0.132	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.2	-174.9	-57.8	-73.4	0	0	0	110.6	P16 L20 V66 R67 F68 C69 H91 L175	P16-F18 HydrophobicContact CB-CE2 3.89Å; P16-F18 HydrophobicContact CB-CZ 4.03Å; F18-L20 PolarHBondContact O-N 3.3Å; F18-V66 HydrophobicContact CD2-CG1 3.76Å; F18-V66 HydrophobicContact CE2-CG1 3.75Å; F18-R67 PolarHBondContact N-O 3.07Å; F18-F68 HydrophobicContact CB-CD1 4.11Å; F18-F68 HydrophobicContact CB-CE1 4.3Å; F18-F68 CarbonylContact O-C 3.54Å; F18-F68 VanDerWaalsContact O-CA 3.3Å; F18-F68 WeakPolarHBondContact O-CA 3.14Å; F18-C69 PolarHBondContact O-N 2.75Å; F18-H91 HydrophobicContact CB-CB 4.07Å; F18-H91 HydrophobicContact CD1-CB 4.23Å; F18-L175 HydrophobicContact CB-CD1 3.9Å; F18-L175 HydrophobicContact CD1-CB 4.25Å; F18-L175 HydrophobicContact CD1-CD1 4.01Å; F18-L175 HydrophobicContact CD1-CD2 4.32Å; F18-L175 HydrophobicContact CD1-CG 4.44Å; F18-L175 HydrophobicContact CD2-CB 4.4Å; F18-L175 HydrophobicContact CD2-CD1 3.89Å; F18-L175 HydrophobicContact CE1-CB 3.93Å; F18-L175 HydrophobicContact CE2-CB 4.08Å; F18-L175 HydrophobicContact CE2-CD1 4.39Å; F18-L175 HydrophobicContact CG-CB 4.47Å; F18-L175 HydrophobicContact CG-CD1 3.67Å; F18-L175 HydrophobicContact CZ-CB 3.84Å
19	K	96.5	Very high	90.1	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.022	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	116.3	169.1	-178.7	168.4	170.6	172.4	0	110	W71 Y86 I88 H91 C92	K19-W71 HydrophobicContact CD-CD2 4.44Å; K19-W71 HydrophobicContact CD-CZ2 4.2Å; K19-W71 HydrophobicContact CG-CG 4.42Å; K19-Y86 WeakPolarHBondContact CE-O 3.41Å; K19-Y86 PolarHBondContact NZ-O 2.98Å; K19-I88 PolarHBondContact NZ-O 2.79Å; K19-H91 WeakPolarHBondContact CB-ND1 3.43Å; K19-H91 PolarHBondContact N-ND1 2.89Å; K19-H91 WeakPolarHBondContact O-CB 3.42Å; K19-H91 PolarHBondContact O-N 3.07Å; K19-C92 PolarHBondContact O-N 2.78Å
20	L	97.8	Very high	91.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.5	175.5	170.1	65.6	0	0	0	109.3	F18 F68 C69 C70 W71 C92 I94 F168 L171	F18-L20 PolarHBondContact O-N 3.3Å; L20-F68 HydrophobicContact CB-CB 4.1Å; L20-F68 HydrophobicContact CB-CD1 3.99Å; L20-F68 HydrophobicContact CB-CG 4.44Å; L20-F68 HydrophobicContact CD2-CB 4.16Å; L20-F68 HydrophobicContact CD2-CD1 4.42Å; L20-F68 HydrophobicContact CD2-CG 4.38Å; L20-C69 PolarHBondContact N-O 3.02Å; L20-C70 HydrophobicContact CD2-CB 4.28Å; L20-C70 CarbonylContact O-C 3.44Å; L20-C70 WeakPolarHBondContact O-CA 3.01Å; L20-W71 PolarHBondContact O-N 3.34Å; L20-C92 HydrophobicContact CD1-CB 4.47Å; L20-C92 VanDerWaalsContact CD1-SG 3.53Å; L20-I94 HydrophobicContact CD1-CD1 4.18Å; L20-I94 HydrophobicContact CD1-CG1 4.01Å; L20-I94 HydrophobicContact CD2-CD1 4.12Å; L20-F168 HydrophobicContact CD2-CD1 4.11Å; L20-F168 HydrophobicContact CD2-CE1 3.56Å; L20-L171 HydrophobicContact CD1-CD1 3.67Å
21	I	96.3	Very high	93.3	Very high	0 Å²	0	31 Å²	31	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.6	174.4	-50	164.8	0	0	0	108.7	V23 T73 Y87 C92 A93 I94 I122	I21-V23 HydrophobicContact CG2-CG1 3.6Å; I21-T73 HydrophobicContact CG2-CG2 4.49Å; I21-Y87 HydrophobicContact CD1-CD1 4.02Å; I21-Y87 HydrophobicContact CD1-CG 4.34Å; I21-Y87 HydrophobicContact CG2-CD1 3.46Å; I21-Y87 VanDerWaalsContact CG2-CD1 3.46Å; I21-Y87 HydrophobicContact CG2-CE1 3.64Å; I21-C92 PolarHBondContact N-O 3.31Å; I21-A93 HydrophobicContact CB-CB 4.29Å; I21-A93 CarbonylContact O-C 3.58Å; I21-A93 VanDerWaalsContact O-CA 3.24Å; I21-A93 WeakPolarHBondContact O-CA 3.46Å; I21-I94 PolarHBondContact O-N 3.05Å; I21-I122 HydrophobicContact CD1-CD1 4.48Å
22	L	97	Very high	94.5	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	112	175.6	178.1	61.4	0	0	0	110.1	K30 V34 W71 T73 I94 M96	L22-K30 HydrophobicContact CD1-CB 4.43Å; L22-K30 HydrophobicContact CD1-CD 4.42Å; L22-K30 HydrophobicContact CD1-CG 4.17Å; L22-K30 HydrophobicContact CD2-CB 3.68Å; L22-K30 HydrophobicContact CD2-CG 4.31Å; L22-K30 HydrophobicContact CG-CB 3.88Å; L22-K30 HydrophobicContact CG-CD 4.06Å; L22-K30 HydrophobicContact CG-CG 4Å; L22-V34 HydrophobicContact CD2-CG2 3.32Å; L22-W71 PolarHBondContact N-O 3.46Å; L22-T73 PolarHBondContact O-N 3.43Å; L22-T73 VanDerWaalsContact O-N 3.16Å; L22-T73 PolarHBondContact O-OG1 2.93Å; L22-I94 HydrophobicContact CD1-CB 3.74Å; L22-I94 HydrophobicContact CD1-CG2 3.56Å; L22-M96 HydrophobicContact CD1-CE 4.3Å
23	V	95.7	Very high	95.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	168.7	-176.4	-53.6	0	0	0	0	112.5	I21 K30 T73 Y87 I94 I95 M96 W111 I115	I21-V23 HydrophobicContact CG2-CG1 3.6Å; V23-K30 WeakPolarHBondContact O-CD 3.44Å; V23-T73 HydrophobicContact CG1-CG2 4.38Å; V23-Y87 HydrophobicContact CG1-CE1 3.61Å; V23-I94 PolarHBondContact N-O 3.5Å; V23-I95 HydrophobicContact CG2-CB 4.24Å; V23-I95 HydrophobicContact CG2-CG1 3.77Å; V23-I95 HydrophobicContact CG2-CG2 4.25Å; V23-M96 PolarHBondContact O-N 3.44Å; V23-W111 HydrophobicContact CB-CD2 4.25Å; V23-W111 HydrophobicContact CB-CE3 3.67Å; V23-W111 HydrophobicContact CB-CZ3 4.06Å; V23-W111 HydrophobicContact CG1-CE3 4.31Å; V23-W111 HydrophobicContact CG1-CZ3 4.5Å; V23-W111 HydrophobicContact CG2-CB 3.99Å; V23-W111 HydrophobicContact CG2-CD2 4.41Å; V23-W111 HydrophobicContact CG2-CE3 4.14Å; V23-W111 HydrophobicContact CG2-CG 4.39Å; V23-I115 HydrophobicContact CG1-CD1 4.35Å; V23-I115 HydrophobicContact CG2-CD1 3.56Å; V23-I115 HydrophobicContact CG2-CG1 4.45Å
24	G	95.8	Very high	95.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	15%	0.15	C	C	.	.			trans	137.9	166.1	-178.9	0	0	0	0	0	110.9	K30 G75 M96 W111	G24-K30 WeakPolarHBondContact O-CE 3.44Å; G24-K30 PolarHBondContact O-NZ 3.08Å; G24-G75 VanDerWaalsContact O-CA 3.23Å; G24-G75 WeakPolarHBondContact O-CA 3.35Å; G24-M96 WeakPolarHBondContact CA-O 3.39Å; G24-W111 VanDerWaalsContact C-CE2 3.44Å; G24-W111 VanDerWaalsContact C-CZ2 3.42Å; G24-W111 WeakPolarHBondContact O-CZ2 3.28Å
25	D	95.1	Very high	95.6	Very high	21 Å²	21	18.6 Å²	18.6	11%	0.112	11%	0.114	C	C	.	.			trans	-55.9	157.8	-177.8	-77.2	19.1	0	0	0	112.7	T28 K30 T104 N107 W111	D25-T28 HydrophobicContact CB-CG2 3.9Å; D25-T28 VanDerWaalsContact O-CG2 3.28Å; D25-T28 WeakPolarHBondContact O-CG2 3.4Å; D25-T28 PolarHBondContact O-N 2.69Å; D25-T28 PolarHBondContact O-OG1 2.8Å; D25-K30 PolarHBondContact O-NZ 3.24Å; D25-T104 HydrophobicContact CB-CG2 3.8Å; D25-T104 WeakPolarHBondContact OD2-CA 3.31Å; D25-N107 WeakPolarHBondContact OD1-CB 3.35Å; D25-N107 PolarHBondContact OD2-ND2 2.88Å; D25-W111 PolarHBondContact OD1-NE1 3.17Å
26	G	93.7	Very high	95.6	Very high	20 Å²	20	16.1 Å²	16.1	21%	0.206	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	144.4	172.5	0	0	0	0	0	111.4	T28 G75	G26-T28 VanDerWaalsContact C-N 3.26Å; G26-T28 PolarHBondContact O-N 3.44Å; G26-G75 PolarHBondContact N-O 3.4Å
27	G	94	Very high	95.4	Very high	26 Å²	26	13.9 Å²	13.9	27%	0.268	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	0.1	-180	0	0	0	0	0	115.9	G29 Y46 K130	G27-G29 PolarHBondContact O-N 3.09Å; G27-Y46 PolarHBondContact N-OH 2.86Å; G27-K130 VanDerWaalsContact O-CE 3.32Å; G27-K130 WeakPolarHBondContact O-CE 3.32Å; G27-K130 PolarHBondContact O-NZ 3.33Å
28	T	96.4	Very high	95.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-69.2	-19.7	176.6	54.2	0	0	0	0	113.6	D25 G26 D98 T104 N129	D25-T28 HydrophobicContact CB-CG2 3.9Å; D25-T28 VanDerWaalsContact O-CG2 3.28Å; D25-T28 WeakPolarHBondContact O-CG2 3.4Å; D25-T28 PolarHBondContact O-N 2.69Å; D25-T28 PolarHBondContact O-OG1 2.8Å; G26-T28 VanDerWaalsContact C-N 3.26Å; G26-T28 PolarHBondContact O-N 3.44Å; T28-D98 HydrophobicContact CG2-CB 4.29Å; T28-T104 HydrophobicContact CG2-CG2 3.85Å; T28-N129 PolarHBondContact O-ND2 2.86Å
29	G	96.2	Very high	94.7	Very high	13 Å²	13	17.5 Å²	17.5	13%	0.134	11%	0.107	C	C	.	.	S	Bend	trans	105.9	17	175.7	0	0	0	0	0	115.4	G27 T32 F33 M96	G27-G29 PolarHBondContact O-N 3.09Å; G29-T32 PolarHBondContact O-N 3.18Å; G29-F33 WeakPolarHBondContact O-CB 3.36Å; G29-F33 PolarHBondContact O-N 3.49Å; G29-M96 VanDerWaalsContact C-SD 3.59Å
30	K	96.5	Very high	94.3	Very high	9 Å²	9	17.3 Å²	17.3	4%	0.039	11%	0.106	C	C	.	.	H	α-helix	trans	-52.6	-56.7	178.4	-60.7	-175.2	-51.8	-73.5	0	112.9	L22 V23 G24 D25 T32 F33 V34 D72 T73 M96	L22-K30 HydrophobicContact CD1-CB 4.43Å; L22-K30 HydrophobicContact CD1-CD 4.42Å; L22-K30 HydrophobicContact CD1-CG 4.17Å; L22-K30 HydrophobicContact CD2-CB 3.68Å; L22-K30 HydrophobicContact CD2-CG 4.31Å; L22-K30 HydrophobicContact CG-CB 3.88Å; L22-K30 HydrophobicContact CG-CD 4.06Å; L22-K30 HydrophobicContact CG-CG 4Å; V23-K30 WeakPolarHBondContact O-CD 3.44Å; G24-K30 WeakPolarHBondContact O-CE 3.44Å; G24-K30 PolarHBondContact O-NZ 3.08Å; D25-K30 PolarHBondContact O-NZ 3.24Å; K30-T32 VanDerWaalsContact C-N 3.35Å; K30-T32 PolarHBondContact O-N 2.89Å; K30-F33 WeakPolarHBondContact O-CB 3.5Å; K30-F33 PolarHBondContact O-N 3.29Å; K30-F33 VanDerWaalsContact O-N 3.15Å; K30-V34 WeakPolarHBondContact O-CG2 3.37Å; K30-V34 PolarHBondContact O-N 3.36Å; K30-D72 VanDerWaalsContact CB-OD1 3.25Å; K30-D72 WeakPolarHBondContact CB-OD1 3.2Å; K30-T73 WeakPolarHBondContact CE-O 3.48Å; K30-M96 HydrophobicContact CG-CB 4.03Å; K30-M96 HydrophobicContact CG-SD 4.07Å
31	T	95	Very high	93.8	Very high	23 Å²	23	22.9 Å²	22.9	14%	0.141	13%	0.132	C	C	.	.	H	α-helix	trans	-61.7	-41.9	179.2	-46	0	0	0	0	112.1	F33 V34 K35 T49 D72	T31-F33 VanDerWaalsContact C-N 3.34Å; T31-F33 PolarHBondContact O-N 2.89Å; T31-V34 PolarHBondContact O-N 3.21Å; T31-K35 HydrophobicContact CG2-CD 4.11Å; T31-K35 HydrophobicContact CG2-CG 4.31Å; T31-K35 WeakPolarHBondContact O-CB 3.32Å; T31-K35 WeakPolarHBondContact O-CG 3.24Å; T31-K35 PolarHBondContact O-N 3.33Å; T31-T49 PolarHBondContact OG1-OG1 2.93Å; T31-D72 WeakPolarHBondContact CA-OD2 3.48Å; T31-D72 VanDerWaalsContact CB-OD2 3.25Å; T31-D72 WeakPolarHBondContact CB-OD2 3.42Å; T31-D72 PolarHBondContact OG1-OD2 3.28Å
32	T	95.5	Very high	93.4	Very high	23 Å²	23	25.3 Å²	25.3	14%	0.141	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-43	175.5	-51.7	0	0	0	0	111.5	G29 K30 R36 F42 E43 A158	G29-T32 PolarHBondContact O-N 3.18Å; K30-T32 VanDerWaalsContact C-N 3.35Å; K30-T32 PolarHBondContact O-N 2.89Å; T32-R36 WeakPolarHBondContact O-CB 3.36Å; T32-R36 PolarHBondContact O-N 3.38Å; T32-F42 HydrophobicContact CG2-CD2 3.55Å; T32-F42 HydrophobicContact CG2-CE2 3.42Å; T32-F42 VanDerWaalsContact CG2-CE2 3.42Å; T32-F42 HydrophobicContact CG2-CZ 4.29Å; T32-E43 HydrophobicContact CG2-CB 4.28Å; T32-A158 HydrophobicContact CG2-CB 4.3Å
33	F	96	Very high	92.9	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-44.7	176.9	179.1	-108.3	0	0	0	111.6	G29 K30 T31 H37 I94 M96 I156 A158 F164 P167 F168	G29-F33 WeakPolarHBondContact O-CB 3.36Å; G29-F33 PolarHBondContact O-N 3.49Å; K30-F33 WeakPolarHBondContact O-CB 3.5Å; K30-F33 PolarHBondContact O-N 3.29Å; K30-F33 VanDerWaalsContact O-N 3.15Å; T31-F33 VanDerWaalsContact C-N 3.34Å; T31-F33 PolarHBondContact O-N 2.89Å; F33-H37 PolarHBondContact O-N 3.36Å; F33-I94 HydrophobicContact CE1-CD1 4.29Å; F33-M96 HydrophobicContact CB-CE 3.87Å; F33-M96 HydrophobicContact CD1-CE 3.94Å; F33-M96 HydrophobicContact CG-CE 3.88Å; F33-I156 HydrophobicContact CD2-CD1 3.93Å; F33-I156 HydrophobicContact CE2-CD1 3.85Å; F33-I156 HydrophobicContact CZ-CD1 4.41Å; F33-A158 HydrophobicContact CB-CB 4.22Å; F33-A158 HydrophobicContact CD2-CB 4.39Å; F33-F164 AromaticContact CD2-CD2 3.66Å; F33-F164 HydrophobicContact CD2-CD2 3.66Å; F33-F164 AromaticContact CD2-CE2 3.34Å; F33-F164 HydrophobicContact CD2-CE2 3.34Å; F33-F164 HydrophobicContact CD2-CZ 4.02Å; F33-F164 HydrophobicContact CE2-CD1 4.47Å; F33-F164 AromaticContact CE2-CD2 3.54Å; F33-F164 HydrophobicContact CE2-CD2 3.54Å; F33-F164 HydrophobicContact CE2-CE1 4.49Å; F33-F164 AromaticContact CE2-CE2 3.57Å; F33-F164 HydrophobicContact CE2-CE2 3.57Å; F33-F164 HydrophobicContact CE2-CG 4.02Å; F33-F164 HydrophobicContact CE2-CZ 4.06Å; F33-F164 HydrophobicContact CG-CE2 4.21Å; F33-F164 WeakPolarHBondContact O-CZ 3.39Å; F33-P167 HydrophobicContact CZ-CG 4.48Å; F33-F168 HydrophobicContact CD1-CZ 4.34Å; F33-F168 HydrophobicContact CE1-CE1 4.48Å; F33-F168 AromaticContact CE1-CE2 3.45Å; F33-F168 HydrophobicContact CE1-CE2 3.45Å; F33-F168 VanDerWaalsContact CE1-CE2 3.45Å; F33-F168 AromaticContact CE1-CZ 3.41Å; F33-F168 HydrophobicContact CE1-CZ 3.41Å; F33-F168 VanDerWaalsContact CE1-CZ 3.41Å; F33-F168 HydrophobicContact CE2-CE2 4.29Å; F33-F168 HydrophobicContact CZ-CD2 4.14Å; F33-F168 AromaticContact CZ-CE2 3.28Å; F33-F168 HydrophobicContact CZ-CE2 3.28Å; F33-F168 AromaticContact CZ-CZ 3.8Å; F33-F168 HydrophobicContact CZ-CZ 3.8Å
34	V	95.1	Very high	92.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.1	-48	178	178.6	0	0	0	0	111.9	L22 K30 T31 R36 H37 I38 R55 L57 C70 D72	L22-V34 HydrophobicContact CD2-CG2 3.32Å; K30-V34 WeakPolarHBondContact O-CG2 3.37Å; K30-V34 PolarHBondContact O-N 3.36Å; T31-V34 PolarHBondContact O-N 3.21Å; V34-R36 VanDerWaalsContact C-N 3.3Å; V34-R36 PolarHBondContact O-N 3.05Å; V34-H37 WeakPolarHBondContact O-CB 3.25Å; V34-H37 PolarHBondContact O-N 3.4Å; V34-I38 HydrophobicContact CG1-CD1 4Å; V34-I38 WeakPolarHBondContact O-CG1 3.21Å; V34-I38 PolarHBondContact O-N 3.01Å; V34-R55 HydrophobicContact CG1-CB 3.99Å; V34-R55 HydrophobicContact CG1-CG 4.36Å; V34-L57 HydrophobicContact CG1-CD1 4.43Å; V34-L57 HydrophobicContact CG1-CD2 4.01Å; V34-C70 VanDerWaalsContact CG2-SG 3.58Å; V34-D72 HydrophobicContact CG2-CB 4.49Å
35	K	93.2	Very high	92	Very high	44 Å²	44	44.6 Å²	44.6	19%	0.191	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-43.2	178.1	-77.1	-177.2	172.9	-176.7	0	111.3	T31 H37 I38 T39 E43	T31-K35 HydrophobicContact CG2-CD 4.11Å; T31-K35 HydrophobicContact CG2-CG 4.31Å; T31-K35 WeakPolarHBondContact O-CB 3.32Å; T31-K35 WeakPolarHBondContact O-CG 3.24Å; T31-K35 PolarHBondContact O-N 3.33Å; K35-H37 PolarHBondContact O-N 3Å; K35-I38 PolarHBondContact O-N 3.43Å; K35-T39 PolarHBondContact O-N 2.88Å; K35-T39 PolarHBondContact O-OG1 2.79Å; K35-T39 VanDerWaalsContact O-OG1 3.09Å; K35-E43 HydrophobicContact CD-CB 4.37Å; K35-E43 HydrophobicContact CD-CG 4.49Å; K35-E43 IonicContact NZ-OE2 3.42Å; K35-E43 PolarHBondContact NZ-OE2 2.89Å
36	R	92.4	Very high	91.7	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-58.5	-35.6	178.6	-173.9	68.2	168.5	-178.8	-7.6	112.3	T32 V34 G40 E41 N161 F164 L189 L190 P191	T32-R36 WeakPolarHBondContact O-CB 3.36Å; T32-R36 PolarHBondContact O-N 3.38Å; V34-R36 VanDerWaalsContact C-N 3.3Å; V34-R36 PolarHBondContact O-N 3.05Å; R36-G40 WeakPolarHBondContact CD-O 3.49Å; R36-G40 PolarHBondContact NE-O 3.28Å; R36-G40 PolarHBondContact NH1-O 3.4Å; R36-G40 WeakPolarHBondContact O-CA 3.39Å; R36-G40 PolarHBondContact O-N 3.33Å; R36-E41 WeakPolarHBondContact CA-O 3.37Å; R36-E41 WeakPolarHBondContact CD-O 3.49Å; R36-N161 PolarHBondContact NE-OD1 3.28Å; R36-N161 PolarHBondContact NH2-ND2 3.42Å; R36-N161 PolarHBondContact NH2-OD1 3.49Å; R36-F164 HydrophobicContact CB-CE2 3.91Å; R36-F164 HydrophobicContact CB-CZ 4.02Å; R36-F164 HydrophobicContact CG-CE2 3.82Å; R36-F164 HydrophobicContact CG-CZ 4.11Å; R36-L189 HydrophobicContact CG-CD2 4.21Å; R36-L189 WeakPolarHBondContact O-CD2 3.05Å; R36-L190 PolarHBondContact NH2-O 3.44Å; R36-P191 PolarHBondContact NH2-O 3.22Å
37	H	91.6	Very high	91.4	Very high	21 Å²	21	54.6 Å²	54.6	10%	0.097	26%	0.259	C	S	.	.	H	α-helix	trans	-67	-38.1	175.1	179.1	91.2	0	0	0	112	F33 V34 K35 L57 F59 F164 L187	F33-H37 PolarHBondContact O-N 3.36Å; V34-H37 WeakPolarHBondContact O-CB 3.25Å; V34-H37 PolarHBondContact O-N 3.4Å; K35-H37 PolarHBondContact O-N 3Å; H37-L57 HydrophobicContact CB-CD2 4.38Å; H37-L57 VanDerWaalsContact CD2-CD2 3.46Å; H37-L57 WeakPolarHBondContact CD2-CD2 3.32Å; H37-F59 AromaticContact CE1-CE1 3.33Å; H37-F59 WeakPolarHBondContact CE1-CE1 3.34Å; H37-F59 AromaticContact CE1-CE2 3.54Å; H37-F59 AromaticContact CE1-CZ 3.05Å; H37-F59 WeakPolarHBondContact CE1-CZ 3.39Å; H37-F59 AromaticContact ND1-CE1 3.84Å; H37-F59 AromaticContact ND1-CZ 3.52Å; H37-F59 AromaticContact NE2-CE2 3.95Å; H37-F59 AromaticContact NE2-CZ 3.88Å; H37-F164 HydrophobicContact CB-CE1 3.76Å; H37-F164 HydrophobicContact CB-CZ 3.76Å; H37-L187 WeakPolarHBondContact CE1-CD2 3.48Å; H37-L187 VanDerWaalsContact ND1-CD1 3.3Å; H37-L187 WeakPolarHBondContact ND1-CD1 3.2Å
38	I	89.7	Confident	91.1	Very high	76 Å²	76	56.9 Å²	56.9	39%	0.39	27%	0.269	S	S	.	.	H	α-helix	trans	-80.9	-48.4	-172.9	-63.3	164	0	0	0	111.4	V34 K35 R55 L57	V34-I38 HydrophobicContact CG1-CD1 4Å; V34-I38 WeakPolarHBondContact O-CG1 3.21Å; V34-I38 PolarHBondContact O-N 3.01Å; K35-I38 PolarHBondContact O-N 3.43Å; I38-R55 HydrophobicContact CD1-CB 3.71Å; I38-R55 HydrophobicContact CD1-CG 4.02Å; I38-L57 HydrophobicContact CD1-CD2 3.81Å; I38-L57 HydrophobicContact CG1-CD2 3.53Å
39	T	88.5	Confident	90.5	Very high	75 Å²	75	57.9 Å²	57.9	46%	0.46	28%	0.275	S	S	.	.	H	α-helix	trans	-101.5	-12.7	-171.5	64.7	0	0	0	0	112.5	K35 E41	K35-T39 PolarHBondContact O-N 2.88Å; K35-T39 PolarHBondContact O-OG1 2.79Å; K35-T39 VanDerWaalsContact O-OG1 3.09Å; T39-E41 PolarHBondContact O-N 3.18Å; T39-E41 VanDerWaalsContact O-N 3.14Å; T39-E41 WeakPolarHBondContact OG1-CB 3.46Å; T39-E41 PolarHBondContact OG1-N 3.43Å; T39-E41 VanDerWaalsContact OG1-N 3.14Å
40	G	87.9	Confident	90	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.01	31%	0.308	C	S	.	.	S	Bend	trans	70.9	-6.9	-168	0	0	0	0	0	113.5	R36 A188 L190	R36-G40 WeakPolarHBondContact CD-O 3.49Å; R36-G40 PolarHBondContact NE-O 3.28Å; R36-G40 PolarHBondContact NH1-O 3.4Å; R36-G40 WeakPolarHBondContact O-CA 3.39Å; R36-G40 PolarHBondContact O-N 3.33Å; G40-A188 WeakPolarHBondContact CA-O 3.41Å; G40-L190 VanDerWaalsContact O-CB 3.25Å; G40-L190 WeakPolarHBondContact O-CB 3.26Å; G40-L190 WeakPolarHBondContact O-CG 3.31Å; G40-L190 PolarHBondContact O-N 2.98Å
41	E	87.9	Confident	89.4	Confident	118 Å²	118	65.2 Å²	65.2	55%	0.551	31%	0.314	S	S	*	.			trans	-90.8	145.8	-175	-70.4	175.3	-177.2	0	0	112.7	R36 T39 L190	R36-E41 WeakPolarHBondContact CA-O 3.37Å; R36-E41 WeakPolarHBondContact CD-O 3.49Å; T39-E41 PolarHBondContact O-N 3.18Å; T39-E41 VanDerWaalsContact O-N 3.14Å; T39-E41 WeakPolarHBondContact OG1-CB 3.46Å; T39-E41 PolarHBondContact OG1-N 3.43Å; T39-E41 VanDerWaalsContact OG1-N 3.14Å; E41-L190 HydrophobicContact CB-CD1 4.37Å; E41-L190 HydrophobicContact CG-CD1 3.42Å; E41-L190 VanDerWaalsContact CG-CD1 3.42Å
42	F	87.7	Confident	89.2	Confident	51 Å²	51	65.3 Å²	65.3	22%	0.224	31%	0.314	C	S	.	.			trans	-92.9	112.3	173.5	177.4	-101.1	0	0	0	109.5	T32 K44 K159	T32-F42 HydrophobicContact CG2-CD2 3.55Å; T32-F42 HydrophobicContact CG2-CE2 3.42Å; T32-F42 VanDerWaalsContact CG2-CE2 3.42Å; T32-F42 HydrophobicContact CG2-CZ 4.29Å; F42-K44 HydrophobicContact CD1-CG 3.85Å; F42-K44 HydrophobicContact CE1-CG 4.03Å; F42-K44 PolarHBondContact O-N 3.42Å; F42-K159 HydrophobicContact CD1-CG 4.16Å; F42-K159 VanDerWaalsContact CD2-CA 3.49Å; F42-K159 HydrophobicContact CD2-CB 3.96Å; F42-K159 HydrophobicContact CD2-CG 4.05Å; F42-K159 HydrophobicContact CE1-CD 4.16Å; F42-K159 HydrophobicContact CE1-CG 3.89Å; F42-K159 HydrophobicContact CE2-CB 3.51Å; F42-K159 HydrophobicContact CE2-CD 4.49Å; F42-K159 HydrophobicContact CE2-CG 3.74Å; F42-K159 HydrophobicContact CG-CG 4.24Å; F42-K159 HydrophobicContact CZ-CB 3.85Å; F42-K159 HydrophobicContact CZ-CD 3.98Å; F42-K159 HydrophobicContact CZ-CG 3.67Å
43	E	85.9	Confident	89	Confident	64 Å²	64	67.6 Å²	67.6	30%	0.299	32%	0.324	S	S	.	.			trans	-69.5	112.5	175.3	-178.5	61.1	-96.2	0	0	110.4	T32 K35 R45	T32-E43 HydrophobicContact CG2-CB 4.28Å; K35-E43 HydrophobicContact CD-CB 4.37Å; K35-E43 HydrophobicContact CD-CG 4.49Å; K35-E43 IonicContact NZ-OE2 3.42Å; K35-E43 PolarHBondContact NZ-OE2 2.89Å; E43-R45 WeakPolarHBondContact CG-O 3.24Å; E43-R45 PolarHBondContact OE1-N 2.92Å
44	K	86.5	Confident	88.8	Confident	150 Å²	150	69.8 Å²	69.8	65%	0.652	34%	0.337	S	S	*	.			trans	-83	-26	-178.8	-68.1	179.9	-178.4	178.4	0	112.3	F42 D193	F42-K44 HydrophobicContact CD1-CG 3.85Å; F42-K44 HydrophobicContact CE1-CG 4.03Å; F42-K44 PolarHBondContact O-N 3.42Å; K44-D193 WeakPolarHBondContact CE-OD2 3.21Å; K44-D193 IonicContact NZ-OD2 2.77Å; K44-D193 PolarHBondContact NZ-OD2 2.83Å
45	R	87.9	Confident	88.8	Confident	192 Å²	192	73.1 Å²	73.1	73%	0.725	35%	0.35	S	S	*	.	S	Bend	trans	-93.1	131.3	-177.7	-69.1	-174.4	-179.2	-151.3	0.8	110.5	E43 E47	E43-R45 WeakPolarHBondContact CG-O 3.24Å; E43-R45 PolarHBondContact OE1-N 2.92Å; R45-E47 PolarHBondContact O-N 2.81Å
46	Y	87.4	Confident	88.8	Confident	126 Å²	126	74 Å²	74	49%	0.494	36%	0.36	S	S	.	.			trans	-84.6	108	171.1	176.4	-114.1	0	0	0	109.7	G27 P48 Q76	G27-Y46 PolarHBondContact N-OH 2.86Å; Y46-P48 HydrophobicContact CD1-CG 4.43Å; Y46-P48 HydrophobicContact CE1-CB 4.46Å; Y46-P48 HydrophobicContact CE1-CG 3.72Å; Y46-Q76 PolarHBondContact OH-NE2 3.44Å
47	E	87.6	Confident	89	Confident	126 Å²	126	73.6 Å²	73.6	59%	0.589	36%	0.358	S	S	*	.			trans	-109.7	115.7	167.6	-68.2	178.6	177.4	0	0	107.5	R45 T49	R45-E47 PolarHBondContact O-N 2.81Å; E47-T49 PolarHBondContact O-N 2.93Å
48	P	87.8	Confident	89.1	Confident	73 Å²	73	74.6 Å²	74.6	47%	0.474	36%	0.364	S	S	.	.			trans	-59.7	128.9	177.5	-20.2	29.9	0	0	0	110.9	Y46	Y46-P48 HydrophobicContact CD1-CG 4.43Å; Y46-P48 HydrophobicContact CE1-CB 4.46Å; Y46-P48 HydrophobicContact CE1-CG 3.72Å
49	T	84.6	Confident	89.3	Confident	21 Å²	21	71.2 Å²	71.2	13%	0.129	35%	0.347	C	S	.	.			trans	-57.9	142.3	168.1	-41.1	0	0	0	0	109.4	T31 E47 E53 A74	T31-T49 PolarHBondContact OG1-OG1 2.93Å; E47-T49 PolarHBondContact O-N 2.93Å; T49-E53 HydrophobicContact CG2-CG 4.18Å; T49-A74 HydrophobicContact CG2-CB 4.4Å; T49-A74 WeakPolarHBondContact O-CB 3.38Å
50	I	84.7	Confident	89.7	Confident	160 Å²	160	70.9 Å²	70.9	82%	0.821	34%	0.34	S	S	*	.			trans	-110.1	111.7	173.7	-59.6	176.2	0	0	0	107.5	V52	I50-V52 PolarHBondContact O-N 3.38Å
51	G	85	Confident	90.1	Very high	17 Å²	17	71.2 Å²	71.2	18%	0.175	34%	0.342	C	S	.	.	S	Bend	trans	70.7	-106.8	-177	0	0	0	0	0	112.4	A74	G51-A74 PolarHBondContact O-N 3.26Å
52	V	89.5	Confident	90.6	Very high	24 Å²	24	67.1 Å²	67.1	15%	0.145	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	138.1	-179.2	64.8	0	0	0	0	111.9	L7 I50 V54 W71 D72 T73 Y86	L7-V52 HydrophobicContact CD1-CG1 3.36Å; I50-V52 PolarHBondContact O-N 3.38Å; V52-V54 HydrophobicContact CG2-CG2 4.42Å; V52-W71 HydrophobicContact CG1-CE3 4.4Å; V52-W71 HydrophobicContact CG2-CB 3.98Å; V52-W71 HydrophobicContact CG2-CD2 4.41Å; V52-W71 HydrophobicContact CG2-CE3 3.91Å; V52-W71 HydrophobicContact CG2-CG 4.5Å; V52-D72 WeakPolarHBondContact CA-O 3.31Å; V52-D72 WeakPolarHBondContact CG2-O 3.38Å; V52-T73 HydrophobicContact CG2-CG2 4.31Å; V52-Y86 HydrophobicContact CB-CD1 4.18Å; V52-Y86 HydrophobicContact CB-CE1 4.16Å; V52-Y86 HydrophobicContact CB-CE2 4.49Å; V52-Y86 HydrophobicContact CB-CG 4.37Å; V52-Y86 HydrophobicContact CG1-CD1 3.69Å; V52-Y86 HydrophobicContact CG1-CE1 3.53Å; V52-Y86 HydrophobicContact CG1-CG 4.37Å
53	E	91.2	Very high	90.9	Very high	71 Å²	71	72.4 Å²	72.4	33%	0.332	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.6	166.2	-70.7	-169.6	173.6	0	0	110.2	T49 R55 D72	T49-E53 HydrophobicContact CG2-CG 4.18Å; E53-R55 IonicContact OE1-NH2 3.43Å; E53-R55 IonicContact OE2-CZ 3.29Å; E53-R55 VanDerWaalsContact OE2-CZ 3.23Å; E53-R55 IonicContact OE2-NE 3.58Å; E53-R55 PolarHBondContact OE2-NE 2.87Å; E53-R55 IonicContact OE2-NH2 3.92Å; E53-R55 PolarHBondContact OE2-NH2 3.28Å; E53-D72 PolarHBondContact N-O 3.34Å; E53-D72 PolarHBondContact O-N 2.83Å
54	V	93.4	Very high	91.4	Very high	48 Å²	48	71.2 Å²	71.2	29%	0.291	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.7	178.8	-173.3	0	0	0	0	109.7	P10 V52 C70 W71	P10-V54 HydrophobicContact CG-CG1 3.6Å; V52-V54 HydrophobicContact CG2-CG2 4.42Å; V54-C70 CarbonylContact C-O 3.56Å; V54-C70 WeakPolarHBondContact CA-O 3.47Å; V54-W71 HydrophobicContact CG2-CD2 3.73Å; V54-W71 HydrophobicContact CG2-CE3 4.18Å; V54-W71 HydrophobicContact CG2-CG 4.01Å; V54-W71 HydrophobicContact CG2-CZ2 4.28Å
55	R	94	Very high	91.8	Very high	70 Å²	70	66.9 Å²	66.9	26%	0.264	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.8	-176.9	-63.8	172.8	178.3	-87.1	3.1	110.7	V34 I38 E53 C70	V34-R55 HydrophobicContact CG1-CB 3.99Å; V34-R55 HydrophobicContact CG1-CG 4.36Å; I38-R55 HydrophobicContact CD1-CB 3.71Å; I38-R55 HydrophobicContact CD1-CG 4.02Å; E53-R55 IonicContact OE1-NH2 3.43Å; E53-R55 IonicContact OE2-CZ 3.29Å; E53-R55 VanDerWaalsContact OE2-CZ 3.23Å; E53-R55 IonicContact OE2-NE 3.58Å; E53-R55 PolarHBondContact OE2-NE 2.87Å; E53-R55 IonicContact OE2-NH2 3.92Å; E53-R55 PolarHBondContact OE2-NH2 3.28Å; R55-C70 PolarHBondContact N-O 3.34Å; R55-C70 WeakPolarHBondContact O-CB 3.24Å; R55-C70 PolarHBondContact O-N 3.29Å
56	P	94.6	Very high	92.2	Very high	62 Å²	62	58 Å²	58	40%	0.403	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.4	174.6	30.5	-32.6	0	0	0	110.4	R67	P56-R67 HydrophobicContact CB-CG 4.33Å
57	L	94.9	Very high	92.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.6	177.4	-50.3	-177.8	0	0	0	108.4	V34 H37 I38 F59 R67 F68 C70 F168	V34-L57 HydrophobicContact CG1-CD1 4.43Å; V34-L57 HydrophobicContact CG1-CD2 4.01Å; H37-L57 HydrophobicContact CB-CD2 4.38Å; H37-L57 VanDerWaalsContact CD2-CD2 3.46Å; H37-L57 WeakPolarHBondContact CD2-CD2 3.32Å; I38-L57 HydrophobicContact CD1-CD2 3.81Å; I38-L57 HydrophobicContact CG1-CD2 3.53Å; L57-F59 HydrophobicContact CB-CE2 3.9Å; L57-R67 CarbonylContact O-C 3.59Å; L57-R67 WeakPolarHBondContact O-CA 3.27Å; L57-F68 HydrophobicContact CB-CB 4.37Å; L57-F68 PolarHBondContact N-O 3.09Å; L57-F68 PolarHBondContact O-N 3.46Å; L57-C70 HydrophobicContact CD1-CB 3.63Å; L57-C70 HydrophobicContact CG-CB 3.94Å; L57-F168 HydrophobicContact CD1-CE1 3.71Å; L57-F168 HydrophobicContact CD1-CZ 3.76Å
58	D	93.7	Very high	93.1	Very high	42 Å²	42	47.7 Å²	47.7	23%	0.225	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.6	-171.9	-83.1	-12.7	0	0	0	110.8	Y15 K65 R67	Y15-D58 PolarHBondContact OH-OD1 3.04Å; Y15-D58 PolarHBondContact OH-OD2 2.64Å; D58-K65 WeakPolarHBondContact OD2-CE 3.44Å; D58-K65 IonicContact OD2-NZ 3.74Å; D58-K65 PolarHBondContact OD2-NZ 3.06Å; D58-R67 WeakPolarHBondContact OD1-CB 3.32Å; D58-R67 IonicContact OD1-CZ 2.78Å; D58-R67 IonicContact OD1-NE 3.35Å; D58-R67 PolarHBondContact OD1-NE 3.02Å; D58-R67 IonicContact OD1-NH2 2.81Å; D58-R67 PolarHBondContact OD1-NH2 2.89Å; D58-R67 IonicContact OD2-CZ 3.11Å; D58-R67 IonicContact OD2-NE 3.68Å; D58-R67 IonicContact OD2-NH2 3.63Å; D58-R67 PolarHBondContact OD2-NH2 2.93Å
59	F	95.5	Very high	93.5	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.3	178.8	-63.4	-97.1	0	0	0	110.4	H37 L57 K65 V66 F68 F168 F183 L187	H37-F59 AromaticContact CE1-CE1 3.33Å; H37-F59 WeakPolarHBondContact CE1-CE1 3.34Å; H37-F59 AromaticContact CE1-CE2 3.54Å; H37-F59 AromaticContact CE1-CZ 3.05Å; H37-F59 WeakPolarHBondContact CE1-CZ 3.39Å; H37-F59 AromaticContact ND1-CE1 3.84Å; H37-F59 AromaticContact ND1-CZ 3.52Å; H37-F59 AromaticContact NE2-CE2 3.95Å; H37-F59 AromaticContact NE2-CZ 3.88Å; L57-F59 HydrophobicContact CB-CE2 3.9Å; F59-K65 WeakPolarHBondContact O-CA 3.5Å; F59-V66 PolarHBondContact N-O 3.15Å; F59-V66 PolarHBondContact O-N 2.98Å; F59-F68 AromaticContact CD2-CD2 3.76Å; F59-F68 HydrophobicContact CD2-CD2 3.76Å; F59-F68 HydrophobicContact CD2-CE2 4.18Å; F59-F68 AromaticContact CE2-CD2 3.63Å; F59-F68 HydrophobicContact CE2-CD2 3.63Å; F59-F68 HydrophobicContact CE2-CE2 4.24Å; F59-F168 HydrophobicContact CE1-CB 3.81Å; F59-F168 HydrophobicContact CE1-CD2 4.01Å; F59-F168 AromaticContact CE1-CG 3.94Å; F59-F168 HydrophobicContact CE1-CG 3.94Å; F59-F168 HydrophobicContact CE2-CB 4.13Å; F59-F168 AromaticContact CE2-CD1 3.85Å; F59-F168 HydrophobicContact CE2-CD1 3.85Å; F59-F168 HydrophobicContact CE2-CE1 4.34Å; F59-F168 AromaticContact CE2-CG 3.94Å; F59-F168 HydrophobicContact CE2-CG 3.94Å; F59-F168 HydrophobicContact CZ-CB 3.57Å; F59-F168 AromaticContact CZ-CD1 3.62Å; F59-F168 HydrophobicContact CZ-CD1 3.62Å; F59-F168 AromaticContact CZ-CD2 3.52Å; F59-F168 HydrophobicContact CZ-CD2 3.52Å; F59-F168 HydrophobicContact CZ-CE1 4.11Å; F59-F168 HydrophobicContact CZ-CE2 4Å; F59-F168 AromaticContact CZ-CG 3.28Å; F59-F168 HydrophobicContact CZ-CG 3.28Å; F59-F168 HydrophobicContact CZ-CZ 4.28Å; F59-F183 HydrophobicContact CB-CD1 4Å; F59-F183 HydrophobicContact CB-CE1 3.62Å; F59-F183 HydrophobicContact CB-CZ 4.04Å; F59-F183 HydrophobicContact CD1-CD1 4.28Å; F59-F183 AromaticContact CD1-CD2 3.93Å; F59-F183 HydrophobicContact CD1-CD2 3.93Å; F59-F183 AromaticContact CD1-CE1 3.84Å; F59-F183 HydrophobicContact CD1-CE1 3.84Å; F59-F183 AromaticContact CD1-CE2 3.43Å; F59-F183 HydrophobicContact CD1-CE2 3.43Å; F59-F183 VanDerWaalsContact CD1-CE2 3.43Å; F59-F183 HydrophobicContact CD1-CG 4.34Å; F59-F183 AromaticContact CD1-CZ 3.38Å; F59-F183 HydrophobicContact CD1-CZ 3.38Å; F59-F183 HydrophobicContact CE1-CD2 4.45Å; F59-F183 AromaticContact CE1-CE2 3.74Å; F59-F183 HydrophobicContact CE1-CE2 3.74Å; F59-F183 AromaticContact CE1-CZ 3.92Å; F59-F183 HydrophobicContact CE1-CZ 3.92Å; F59-F183 AromaticContact CG-CE1 3.91Å; F59-F183 HydrophobicContact CG-CE1 3.91Å; F59-F183 HydrophobicContact CG-CE2 4.29Å; F59-F183 AromaticContact CG-CZ 3.77Å; F59-F183 HydrophobicContact CG-CZ 3.77Å; F59-L187 HydrophobicContact CD1-CD2 4.45Å; F59-L187 HydrophobicContact CE1-CD1 4.25Å; F59-L187 HydrophobicContact CE1-CD2 4.34Å
60	H	95.8	Very high	94.1	Very high	68 Å²	68	43.4 Å²	43.4	32%	0.315	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	122	170.5	-66.2	103.2	0	0	0	109.7	F183 V184 E185	H60-F183 WeakPolarHBondContact O-CA 3.22Å; H60-V184 HydrophobicContact CB-CG2 4Å; H60-V184 PolarHBondContact O-N 2.81Å; H60-E185 HydrophobicContact CB-CB 4.19Å; H60-E185 HydrophobicContact CB-CG 3.99Å; H60-E185 IonicContact CE1-OE2 3.96Å; H60-E185 PolarHBondContact CE1-OE2 2.84Å; H60-E185 IonicContact CG-OE1 2.67Å; H60-E185 IonicContact CG-OE2 2.7Å; H60-E185 VanDerWaalsContact ND1-CD 3.32Å; H60-E185 IonicContact ND1-OE1 2.99Å; H60-E185 IonicContact ND1-OE2 2.93Å; H60-E185 PolarHBondContact ND1-OE2 3.34Å
61	T	97.1	Very high	94.5	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.049	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	167.3	-177.3	87.4	0	0	0	0	111.3	R63 G64 V66 L181 R182 F183	T61-R63 PolarHBondContact O-N 2.87Å; T61-R63 PolarHBondContact OG1-N 3.19Å; T61-G64 WeakPolarHBondContact CA-O 3.4Å; T61-G64 VanDerWaalsContact CB-O 3.27Å; T61-G64 WeakPolarHBondContact CB-O 3.43Å; T61-G64 WeakPolarHBondContact CG2-O 3.49Å; T61-G64 PolarHBondContact N-O 2.98Å; T61-G64 PolarHBondContact O-N 3.04Å; T61-G64 PolarHBondContact OG1-N 3.46Å; T61-G64 PolarHBondContact OG1-O 2.79Å; T61-V66 HydrophobicContact CG2-CB 4.22Å; T61-V66 HydrophobicContact CG2-CG2 3.89Å; T61-L181 HydrophobicContact CG2-CD1 4.29Å; T61-L181 HydrophobicContact CG2-CD2 3.93Å; T61-L181 HydrophobicContact CG2-CG 4.34Å; T61-R182 CarbonylContact C-O 3.58Å; T61-R182 WeakPolarHBondContact CA-O 3.28Å; T61-R182 WeakPolarHBondContact CB-O 3Å; T61-F183 HydrophobicContact CG2-CD1 3.97Å; T61-F183 HydrophobicContact CG2-CE1 4.08Å
62	S	97	Very high	95	Very high	33 Å²	33	35 Å²	35	23%	0.231	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-2.1	170.8	57.1	0	0	0	0	115.1	R182	S62-R182 PolarHBondContact N-O 3.26Å; S62-R182 PolarHBondContact OG-N 3.16Å
63	R	96	Very high	95.1	Very high	161 Å²	161	33.9 Å²	33.9	61%	0.608	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122	12.4	177.1	-57.2	-62.4	-178.9	-109.8	-6.6	112.5	T61 D178 L181	T61-R63 PolarHBondContact O-N 2.87Å; T61-R63 PolarHBondContact OG1-N 3.19Å; R63-D178 IonicContact CZ-OD2 2.67Å; R63-D178 VanDerWaalsContact CZ-OD2 3.26Å; R63-D178 IonicContact NE-OD2 3.36Å; R63-D178 PolarHBondContact NE-OD2 2.82Å; R63-D178 IonicContact NH2-OD2 3.73Å; R63-D178 PolarHBondContact NH2-OD2 2.7Å; R63-L181 HydrophobicContact CB-CD1 4.49Å; R63-L181 HydrophobicContact CG-CD1 4.34Å
64	G	95.8	Very high	94.9	Very high	40 Å²	40	30.6 Å²	30.6	41%	0.412	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	101.7	-170	-173.2	0	0	0	0	0	112.6	T61	T61-G64 WeakPolarHBondContact CA-O 3.4Å; T61-G64 VanDerWaalsContact CB-O 3.27Å; T61-G64 WeakPolarHBondContact CB-O 3.43Å; T61-G64 WeakPolarHBondContact CG2-O 3.49Å; T61-G64 PolarHBondContact N-O 2.98Å; T61-G64 PolarHBondContact O-N 3.04Å; T61-G64 PolarHBondContact OG1-N 3.46Å; T61-G64 PolarHBondContact OG1-O 2.79Å
65	K	95.6	Very high	94.4	Very high	59 Å²	59	28.9 Å²	28.9	26%	0.257	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	141.2	-171.9	-163.6	170.3	178.2	177	0	111.7	Y15 D58 F59	Y15-K65 HydrophobicContact CD1-CB 4.48Å; Y15-K65 HydrophobicContact CD1-CD 4.44Å; Y15-K65 HydrophobicContact CD2-CB 3.92Å; Y15-K65 HydrophobicContact CD2-CD 4.33Å; Y15-K65 HydrophobicContact CD2-CG 3.91Å; Y15-K65 HydrophobicContact CE1-CD 3.95Å; Y15-K65 HydrophobicContact CE2-CB 4.18Å; Y15-K65 HydrophobicContact CE2-CD 3.78Å; Y15-K65 HydrophobicContact CE2-CG 3.66Å; Y15-K65 HydrophobicContact CG-CB 4.07Å; Y15-K65 HydrophobicContact CG-CG 4.44Å; Y15-K65 WeakPolarHBondContact OH-CE 3.31Å; Y15-K65 PolarHBondContact OH-NZ 3.17Å; D58-K65 WeakPolarHBondContact OD2-CE 3.44Å; D58-K65 IonicContact OD2-NZ 3.74Å; D58-K65 PolarHBondContact OD2-NZ 3.06Å; F59-K65 WeakPolarHBondContact O-CA 3.5Å
66	V	96	Very high	93.5	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.1	172	174.4	0	0	0	0	108.6	P16 F18 F59 T61 F68	P16-V66 HydrophobicContact CB-CG2 4.5Å; F18-V66 HydrophobicContact CD2-CG1 3.76Å; F18-V66 HydrophobicContact CE2-CG1 3.75Å; F59-V66 PolarHBondContact N-O 3.15Å; F59-V66 PolarHBondContact O-N 2.98Å; T61-V66 HydrophobicContact CG2-CB 4.22Å; T61-V66 HydrophobicContact CG2-CG2 3.89Å; V66-F68 HydrophobicContact CG1-CE2 4.45Å
67	R	95.9	Very high	92.1	Very high	35 Å²	35	30.5 Å²	30.5	13%	0.132	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.2	173.5	176.1	167.4	-70.1	-171.6	-5.3	111.2	Y15 P16 S17 F18 P56 L57 D58	Y15-R67 HydrophobicContact CD2-CB 4.49Å; Y15-R67 HydrophobicContact CE2-CB 3.83Å; Y15-R67 PolarHBondContact OH-NH2 3.48Å; P16-R67 PolarHBondContact O-N 2.96Å; S17-R67 CarbonylContact C-O 3.55Å; S17-R67 WeakPolarHBondContact CA-O 3.47Å; F18-R67 PolarHBondContact N-O 3.07Å; P56-R67 HydrophobicContact CB-CG 4.33Å; L57-R67 CarbonylContact O-C 3.59Å; L57-R67 WeakPolarHBondContact O-CA 3.27Å; D58-R67 WeakPolarHBondContact OD1-CB 3.32Å; D58-R67 IonicContact OD1-CZ 2.78Å; D58-R67 IonicContact OD1-NE 3.35Å; D58-R67 PolarHBondContact OD1-NE 3.02Å; D58-R67 IonicContact OD1-NH2 2.81Å; D58-R67 PolarHBondContact OD1-NH2 2.89Å; D58-R67 IonicContact OD2-CZ 3.11Å; D58-R67 IonicContact OD2-NE 3.68Å; D58-R67 IonicContact OD2-NH2 3.63Å; D58-R67 PolarHBondContact OD2-NH2 2.93Å
68	F	97.2	Very high	90.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.3	158.3	-68.1	-78	0	0	0	109.2	F18 L20 L57 F59 V66 C70 F168 L171 A172 L175	F18-F68 HydrophobicContact CB-CD1 4.11Å; F18-F68 HydrophobicContact CB-CE1 4.3Å; F18-F68 CarbonylContact O-C 3.54Å; F18-F68 VanDerWaalsContact O-CA 3.3Å; F18-F68 WeakPolarHBondContact O-CA 3.14Å; L20-F68 HydrophobicContact CB-CB 4.1Å; L20-F68 HydrophobicContact CB-CD1 3.99Å; L20-F68 HydrophobicContact CB-CG 4.44Å; L20-F68 HydrophobicContact CD2-CB 4.16Å; L20-F68 HydrophobicContact CD2-CD1 4.42Å; L20-F68 HydrophobicContact CD2-CG 4.38Å; L57-F68 HydrophobicContact CB-CB 4.37Å; L57-F68 PolarHBondContact N-O 3.09Å; L57-F68 PolarHBondContact O-N 3.46Å; F59-F68 AromaticContact CD2-CD2 3.76Å; F59-F68 HydrophobicContact CD2-CD2 3.76Å; F59-F68 HydrophobicContact CD2-CE2 4.18Å; F59-F68 AromaticContact CE2-CD2 3.63Å; F59-F68 HydrophobicContact CE2-CD2 3.63Å; F59-F68 HydrophobicContact CE2-CE2 4.24Å; V66-F68 HydrophobicContact CG1-CE2 4.45Å; F68-C70 PolarHBondContact O-N 2.96Å; F68-C70 VanDerWaalsContact O-N 3.1Å; F68-F168 AromaticContact CD2-CD1 3.89Å; F68-F168 HydrophobicContact CD2-CD1 3.89Å; F68-F168 HydrophobicContact CE2-CB 4.14Å; F68-F168 HydrophobicContact CE2-CD1 4.16Å; F68-F168 HydrophobicContact CG-CD1 4.36Å; F68-L171 HydrophobicContact CE1-CB 4.02Å; F68-L171 HydrophobicContact CZ-CB 3.89Å; F68-A172 HydrophobicContact CE2-CB 4.32Å; F68-A172 HydrophobicContact CZ-CB 4.07Å; F68-L175 HydrophobicContact CE1-CD1 3.69Å; F68-L175 HydrophobicContact CZ-CD1 4.34Å
69	C	96.5	Very high	88.4	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.027	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	93.8	165.1	-65.9	0	0	0	0	106.9	P10 S17 F18 L20	P10-C69 HydrophobicContact CG-CB 3.91Å; P10-C69 VanDerWaalsContact CG-SG 3.55Å; S17-C69 PolarHBondContact OG-SG 3.35Å; S17-C69 VanDerWaalsContact OG-SG 3.35Å; F18-C69 PolarHBondContact O-N 2.75Å; L20-C69 PolarHBondContact N-O 3.02Å
70	C	96.1	Very high	86.5	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	118.8	-175.1	-172.6	0	0	0	0	110.4	L20 V34 V54 R55 L57 F68	L20-C70 HydrophobicContact CD2-CB 4.28Å; L20-C70 CarbonylContact O-C 3.44Å; L20-C70 WeakPolarHBondContact O-CA 3.01Å; V34-C70 VanDerWaalsContact CG2-SG 3.58Å; V54-C70 CarbonylContact C-O 3.56Å; V54-C70 WeakPolarHBondContact CA-O 3.47Å; R55-C70 PolarHBondContact N-O 3.34Å; R55-C70 WeakPolarHBondContact O-CB 3.24Å; R55-C70 PolarHBondContact O-N 3.29Å; L57-C70 HydrophobicContact CD1-CB 3.63Å; L57-C70 HydrophobicContact CG-CB 3.94Å; F68-C70 PolarHBondContact O-N 2.96Å; F68-C70 VanDerWaalsContact O-N 3.1Å
71	W	95	Very high	84.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	91.9	173.1	-72	56.1	0	0	0	108.1	L7 K19 L20 L22 V52 V54 T73 Y86	L7-W71 HydrophobicContact CB-CH2 3.66Å; L7-W71 HydrophobicContact CB-CZ3 4.09Å; L7-W71 HydrophobicContact CD1-CZ3 4.28Å; L7-W71 WeakPolarHBondContact O-CH2 3.31Å; K19-W71 HydrophobicContact CD-CD2 4.44Å; K19-W71 HydrophobicContact CD-CZ2 4.2Å; K19-W71 HydrophobicContact CG-CG 4.42Å; L20-W71 PolarHBondContact O-N 3.34Å; L22-W71 PolarHBondContact N-O 3.46Å; V52-W71 HydrophobicContact CG1-CE3 4.4Å; V52-W71 HydrophobicContact CG2-CB 3.98Å; V52-W71 HydrophobicContact CG2-CD2 4.41Å; V52-W71 HydrophobicContact CG2-CE3 3.91Å; V52-W71 HydrophobicContact CG2-CG 4.5Å; V54-W71 HydrophobicContact CG2-CD2 3.73Å; V54-W71 HydrophobicContact CG2-CE3 4.18Å; V54-W71 HydrophobicContact CG2-CG 4.01Å; V54-W71 HydrophobicContact CG2-CZ2 4.28Å; W71-T73 PolarHBondContact O-N 2.94Å; W71-Y86 HydrophobicContact CZ3-CD1 4.26Å
72	D	94.3	Very high	83	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	103.9	174.9	-178.3	32.2	0	0	0	109.6	K30 T31 V34 V52 E53	K30-D72 VanDerWaalsContact CB-OD1 3.25Å; K30-D72 WeakPolarHBondContact CB-OD1 3.2Å; T31-D72 WeakPolarHBondContact CA-OD2 3.48Å; T31-D72 VanDerWaalsContact CB-OD2 3.25Å; T31-D72 WeakPolarHBondContact CB-OD2 3.42Å; T31-D72 PolarHBondContact OG1-OD2 3.28Å; V34-D72 HydrophobicContact CG2-CB 4.49Å; V52-D72 WeakPolarHBondContact CA-O 3.31Å; V52-D72 WeakPolarHBondContact CG2-O 3.38Å; E53-D72 PolarHBondContact N-O 3.34Å; E53-D72 PolarHBondContact O-N 2.83Å
73	T	91.6	Very high	81.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	148.8	-177.5	65.5	0	0	0	0	111.8	I21 L22 V23 K30 V52 W71 Y86 Y87	I21-T73 HydrophobicContact CG2-CG2 4.49Å; L22-T73 PolarHBondContact O-N 3.43Å; L22-T73 VanDerWaalsContact O-N 3.16Å; L22-T73 PolarHBondContact O-OG1 2.93Å; V23-T73 HydrophobicContact CG1-CG2 4.38Å; K30-T73 WeakPolarHBondContact CE-O 3.48Å; V52-T73 HydrophobicContact CG2-CG2 4.31Å; W71-T73 PolarHBondContact O-N 2.94Å; T73-Y86 HydrophobicContact CG2-CD2 4.4Å; T73-Y87 HydrophobicContact CG2-CE1 4.46Å
74	A	87.9	Confident	81.3	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.008	24%	0.242	C	C	.	.			trans	-69.9	140.5	171.8	0	0	0	0	0	111.4	T49 G51 E77	T49-A74 HydrophobicContact CG2-CB 4.4Å; T49-A74 WeakPolarHBondContact O-CB 3.38Å; G51-A74 PolarHBondContact O-N 3.26Å; A74-E77 VanDerWaalsContact CB-OE1 3.28Å; A74-E77 WeakPolarHBondContact CB-OE1 3.3Å
75	G	81.6	Confident	80.8	Confident	12 Å²	12	43 Å²	43	12%	0.124	23%	0.226	C	C	.	.	S	Bend	trans	-100.1	6.5	-174.7	0	0	0	0	0	114.3	G24 G26	G24-G75 VanDerWaalsContact O-CA 3.23Å; G24-G75 WeakPolarHBondContact O-CA 3.35Å; G26-G75 PolarHBondContact N-O 3.4Å
76	Q	75.6	Confident	80.5	Confident	112 Å²	112	42.7 Å²	42.7	52%	0.523	22%	0.223	S	C	.	.			trans	-101.9	-19.3	-174.4	-65.4	-67.4	-17.8	0	0	112.6	Y46 K78	Y46-Q76 PolarHBondContact OH-NE2 3.44Å; Q76-K78 PolarHBondContact O-N 3.02Å; Q76-K78 VanDerWaalsContact O-N 3.13Å
77	E	65.1	Low	80.3	Confident	55 Å²	55	42.4 Å²	42.4	26%	0.257	22%	0.222	S	C	.	.			trans	-60.9	116.8	175.5	20.9	-92.7	-143.9	0	0	111.2	A74 F79 R83	A74-E77 VanDerWaalsContact CB-OE1 3.28Å; A74-E77 WeakPolarHBondContact CB-OE1 3.3Å; E77-F79 VanDerWaalsContact C-N 3.28Å; E77-R83 HydrophobicContact CG-CG 4.16Å; E77-R83 PolarHBondContact O-NH1 3.45Å
78	K	58.1	Low	80	Confident	183 Å²	183	43.2 Å²	43.2	80%	0.796	23%	0.228	S	C	*	.			trans	-80.7	-8.6	176.4	-64	-174.8	178.3	-178.1	0	113.2	Q76	Q76-K78 PolarHBondContact O-N 3.02Å; Q76-K78 VanDerWaalsContact O-N 3.13Å
79	F	52.7	Low	79.8	Confident	158 Å²	158	50.1 Å²	50.1	69%	0.693	26%	0.26	S	S	*	.			trans	-116.3	103.4	-169.4	-56.8	-70.9	0	0	0	111	E77 G81	E77-F79 VanDerWaalsContact C-N 3.28Å; F79-G81 PolarHBondContact O-N 3.07Å; F79-G81 VanDerWaalsContact O-N 3.14Å
80	G	55.8	Low	79.7	Confident	17 Å²	17	50.4 Å²	50.4	18%	0.175	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-59.6	-23.6	-173	0	0	0	0	0	115.8	L82 R83 R117	G80-L82 PolarHBondContact O-N 3.17Å; G80-R83 PolarHBondContact O-N 3.48Å; G80-R117 PolarHBondContact O-NH2 2.93Å
81	G	57.5	Low	79.8	Confident	62 Å²	62	54.3 Å²	54.3	64%	0.639	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-68.5	-28.7	-173.6	0	0	0	0	0	115.5	F79 R83	F79-G81 PolarHBondContact O-N 3.07Å; F79-G81 VanDerWaalsContact O-N 3.14Å; G81-R83 VanDerWaalsContact C-N 3.26Å; G81-R83 PolarHBondContact O-N 2.97Å
82	L	61.3	Low	80	Confident	139 Å²	139	54.3 Å²	54.3	73%	0.728	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-72.9	-21.8	176.2	-83.2	157.7	0	0	0	112.3	G80	G80-L82 PolarHBondContact O-N 3.17Å
83	R	74.6	Confident	80.2	Confident	10 Å²	10	54.3 Å²	54.3	4%	0.038	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-20.7	-174.1	-62.2	-169	-72.2	-129.8	-1.1	113.8	E77 G80 G81 G85 Y86 Y87 W111 D114	E77-R83 HydrophobicContact CG-CG 4.16Å; E77-R83 PolarHBondContact O-NH1 3.45Å; G80-R83 PolarHBondContact O-N 3.48Å; G81-R83 VanDerWaalsContact C-N 3.26Å; G81-R83 PolarHBondContact O-N 2.97Å; R83-G85 PolarHBondContact O-N 2.82Å; R83-G85 VanDerWaalsContact O-N 3.16Å; R83-Y86 HydrophobicContact CB-CD2 4.32Å; R83-Y86 HydrophobicContact CG-CD2 4.44Å; R83-Y86 WeakPolarHBondContact O-CA 3.32Å; R83-Y86 VanDerWaalsContact O-CB 3.32Å; R83-Y86 WeakPolarHBondContact O-CB 3.5Å; R83-Y86 PolarHBondContact O-N 3.43Å; R83-Y87 HydrophobicContact CB-CE1 4.45Å; R83-Y87 HydrophobicContact CB-CE2 3.77Å; R83-Y87 WeakPolarHBondContact CD-OH 3.27Å; R83-Y87 PolarHBondContact O-N 2.96Å; R83-W111 VanDerWaalsContact CZ-CZ3 3.44Å; R83-W111 VanDerWaalsContact NH1-CZ3 3.27Å; R83-D114 IonicContact CZ-OD2 2.69Å; R83-D114 IonicContact NE-OD2 3.38Å; R83-D114 IonicContact NH2-OD2 2.74Å; R83-D114 PolarHBondContact NH2-OD2 2.67Å
84	D	82.7	Confident	80.5	Confident	42 Å²	42	54.3 Å²	54.3	23%	0.225	28%	0.282	C	S	.	.	H	α-helix	trans	-57	-37.8	-175.6	-71.9	7.4	0	0	0	111.7	Y86 Y87 I88 R117 V118	D84-Y86 PolarHBondContact O-N 2.83Å; D84-Y87 PolarHBondContact O-N 2.97Å; D84-I88 WeakPolarHBondContact O-CG1 3.17Å; D84-I88 PolarHBondContact O-N 2.78Å; D84-R117 IonicContact OD1-CZ 2.96Å; D84-R117 IonicContact OD1-NE 2.75Å; D84-R117 PolarHBondContact OD1-NE 2.87Å; D84-R117 IonicContact OD1-NH2 2.62Å; D84-R117 PolarHBondContact OD1-NH2 2.83Å; D84-R117 IonicContact OD2-CZ 2.79Å; D84-R117 IonicContact OD2-NE 2.96Å; D84-R117 PolarHBondContact OD2-NE 3.42Å; D84-R117 IonicContact OD2-NH2 3.45Å; D84-R117 PolarHBondContact OD2-NH2 2.89Å; D84-V118 HydrophobicContact CB-CG2 3.81Å
85	G	85.7	Confident	81	Confident	8 Å²	8	54.3 Å²	54.3	8%	0.082	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-30.8	175.1	0	0	0	0	0	114.1	R83 Y87	R83-G85 PolarHBondContact O-N 2.82Å; R83-G85 VanDerWaalsContact O-N 3.16Å; G85-Y87 VanDerWaalsContact C-N 3.35Å
86	Y	88.8	Confident	81.8	Confident	51 Å²	51	53.8 Å²	53.8	20%	0.2	28%	0.275	C	S	.	.	H	α-helix	trans	-74.3	-28.9	176.8	-53.4	-35.1	0	0	0	112	K19 V52 W71 T73 R83 D84	K19-Y86 WeakPolarHBondContact CE-O 3.41Å; K19-Y86 PolarHBondContact NZ-O 2.98Å; V52-Y86 HydrophobicContact CB-CD1 4.18Å; V52-Y86 HydrophobicContact CB-CE1 4.16Å; V52-Y86 HydrophobicContact CB-CE2 4.49Å; V52-Y86 HydrophobicContact CB-CG 4.37Å; V52-Y86 HydrophobicContact CG1-CD1 3.69Å; V52-Y86 HydrophobicContact CG1-CE1 3.53Å; V52-Y86 HydrophobicContact CG1-CG 4.37Å; W71-Y86 HydrophobicContact CZ3-CD1 4.26Å; T73-Y86 HydrophobicContact CG2-CD2 4.4Å; R83-Y86 HydrophobicContact CB-CD2 4.32Å; R83-Y86 HydrophobicContact CG-CD2 4.44Å; R83-Y86 WeakPolarHBondContact O-CA 3.32Å; R83-Y86 VanDerWaalsContact O-CB 3.32Å; R83-Y86 WeakPolarHBondContact O-CB 3.5Å; R83-Y86 PolarHBondContact O-N 3.43Å; D84-Y86 PolarHBondContact O-N 2.83Å
87	Y	91.6	Very high	82.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-85	-25.7	-175.7	-53.9	-27	0	0	0	113.5	I21 V23 T73 R83 D84 G85 H89 G90 D114 V118 C119	I21-Y87 HydrophobicContact CD1-CD1 4.02Å; I21-Y87 HydrophobicContact CD1-CG 4.34Å; I21-Y87 HydrophobicContact CG2-CD1 3.46Å; I21-Y87 VanDerWaalsContact CG2-CD1 3.46Å; I21-Y87 HydrophobicContact CG2-CE1 3.64Å; V23-Y87 HydrophobicContact CG1-CE1 3.61Å; T73-Y87 HydrophobicContact CG2-CE1 4.46Å; R83-Y87 HydrophobicContact CB-CE1 4.45Å; R83-Y87 HydrophobicContact CB-CE2 3.77Å; R83-Y87 WeakPolarHBondContact CD-OH 3.27Å; R83-Y87 PolarHBondContact O-N 2.96Å; D84-Y87 PolarHBondContact O-N 2.97Å; G85-Y87 VanDerWaalsContact C-N 3.35Å; Y87-H89 PolarHBondContact O-N 2.93Å; Y87-G90 PolarHBondContact O-N 3.03Å; Y87-D114 HydrophobicContact CE2-CB 3.96Å; Y87-V118 HydrophobicContact CD2-CB 4.49Å; Y87-V118 HydrophobicContact CD2-CG2 4.11Å; Y87-C119 PolarHBondContact O-SG 3.16Å
88	I	91.2	Very high	84.4	Confident	51 Å²	51	46.3 Å²	46.3	26%	0.262	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	130.5	179.6	-71.1	170.1	0	0	0	111	K19 D84 G90 V118	K19-I88 PolarHBondContact NZ-O 2.79Å; D84-I88 WeakPolarHBondContact O-CG1 3.17Å; D84-I88 PolarHBondContact O-N 2.78Å; I88-G90 PolarHBondContact O-N 2.94Å; I88-V118 HydrophobicContact CB-CG1 4.47Å; I88-V118 HydrophobicContact CG1-CG1 3.81Å
89	H	91.9	Very high	86.3	Confident	146 Å²	146	37.6 Å²	37.6	68%	0.676	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	24	-177.7	-51.4	-51.9	0	0	0	115.2	Y87 H91	Y87-H89 PolarHBondContact O-N 2.93Å; H89-H91 PolarHBondContact O-N 3.27Å; H89-H91 PolarHBondContact O-ND1 3.27Å
90	G	95.4	Very high	88.5	Confident	9 Å²	9	30.9 Å²	30.9	9%	0.093	18%	0.175	C	C	.	.			trans	-57.1	132.6	166.7	0	0	0	0	0	111.1	Y87 I88 I122	Y87-G90 PolarHBondContact O-N 3.03Å; I88-G90 PolarHBondContact O-N 2.94Å; G90-I122 WeakPolarHBondContact O-CG2 3.35Å
91	H	97.5	Very high	90.4	Very high	84 Å²	84	31.9 Å²	31.9	39%	0.389	18%	0.18	S	C	.	.	S	Bend	trans	-93.9	-29.5	174	-63.5	88.9	0	0	0	111.2	F18 K19 H89 I122 P123 L175	F18-H91 HydrophobicContact CB-CB 4.07Å; F18-H91 HydrophobicContact CD1-CB 4.23Å; K19-H91 WeakPolarHBondContact CB-ND1 3.43Å; K19-H91 PolarHBondContact N-ND1 2.89Å; K19-H91 WeakPolarHBondContact O-CB 3.42Å; K19-H91 PolarHBondContact O-N 3.07Å; H89-H91 PolarHBondContact O-N 3.27Å; H89-H91 PolarHBondContact O-ND1 3.27Å; H91-I122 WeakPolarHBondContact O-CB 3.47Å; H91-P123 WeakPolarHBondContact O-CD 3.33Å; H91-L175 HydrophobicContact CB-CD2 4.25Å; H91-L175 WeakPolarHBondContact O-CD2 3.19Å
92	C	98.5	Very high	92.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	166.8	179.4	57.9	0	0	0	0	110.8	K19 L20 I21 P123 L171 L175	K19-C92 PolarHBondContact O-N 2.78Å; L20-C92 HydrophobicContact CD1-CB 4.47Å; L20-C92 VanDerWaalsContact CD1-SG 3.53Å; I21-C92 PolarHBondContact N-O 3.31Å; C92-P123 VanDerWaalsContact CA-O 3.32Å; C92-P123 WeakPolarHBondContact CA-O 3.49Å; C92-P123 HydrophobicContact CB-CG 3.97Å; C92-P123 WeakPolarHBondContact CB-O 3.47Å; C92-L171 HydrophobicContact CB-CD1 4.15Å; C92-L171 HydrophobicContact CB-CD2 3.82Å; C92-L171 HydrophobicContact CB-CG 4.41Å; C92-L175 HydrophobicContact CB-CD1 4Å; C92-L175 HydrophobicContact CB-CD2 4.42Å
93	A	98.3	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151.1	178.5	0	0	0	0	0	113.6	I21 I115 I122 P123 I124 V125	I21-A93 HydrophobicContact CB-CB 4.29Å; I21-A93 CarbonylContact O-C 3.58Å; I21-A93 VanDerWaalsContact O-CA 3.24Å; I21-A93 WeakPolarHBondContact O-CA 3.46Å; A93-I115 HydrophobicContact CB-CD1 3.82Å; A93-I115 HydrophobicContact CB-CG2 4.48Å; A93-I122 HydrophobicContact CB-CD1 4.02Å; A93-P123 PolarHBondContact N-O 3.24Å; A93-I124 HydrophobicContact CB-CG1 3.99Å; A93-I124 HydrophobicContact CB-CG2 4.32Å; A93-I124 VanDerWaalsContact O-CA 3.31Å; A93-I124 WeakPolarHBondContact O-CA 3.31Å; A93-V125 PolarHBondContact O-N 3.42Å
94	I	98.7	Very high	95	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.2	162.3	-69.2	168.4	0	0	0	107.9	L20 I21 L22 V23 F33 V125 C127 P167 F168 L171	L20-I94 HydrophobicContact CD1-CD1 4.18Å; L20-I94 HydrophobicContact CD1-CG1 4.01Å; L20-I94 HydrophobicContact CD2-CD1 4.12Å; I21-I94 PolarHBondContact O-N 3.05Å; L22-I94 HydrophobicContact CD1-CB 3.74Å; L22-I94 HydrophobicContact CD1-CG2 3.56Å; V23-I94 PolarHBondContact N-O 3.5Å; F33-I94 HydrophobicContact CE1-CD1 4.29Å; I94-V125 CarbonylContact C-O 3.51Å; I94-V125 VanDerWaalsContact CA-O 3.32Å; I94-V125 WeakPolarHBondContact CA-O 3.47Å; I94-V125 HydrophobicContact CG1-CB 4.29Å; I94-C127 HydrophobicContact CG2-CB 4.21Å; I94-P167 HydrophobicContact CD1-CB 3.85Å; I94-P167 HydrophobicContact CG1-CB 4.39Å; I94-F168 HydrophobicContact CD1-CE1 4.38Å; I94-L171 HydrophobicContact CD1-CD1 4.27Å; I94-L171 HydrophobicContact CG1-CD1 3.96Å
95	I	98.1	Very high	95.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	119.2	168.8	-53.4	177.5	0	0	0	107.3	V23 V108 W111 H112 I115 I124 V125 L126 C127	V23-I95 HydrophobicContact CG2-CB 4.24Å; V23-I95 HydrophobicContact CG2-CG1 3.77Å; V23-I95 HydrophobicContact CG2-CG2 4.25Å; I95-V108 HydrophobicContact CG2-CG1 4.18Å; I95-V108 HydrophobicContact CG2-CG2 4.29Å; I95-W111 HydrophobicContact CG2-CB 4.06Å; I95-H112 HydrophobicContact CD1-CB 3.78Å; I95-I115 HydrophobicContact CD1-CD1 4.08Å; I95-I115 HydrophobicContact CG1-CD1 3.9Å; I95-I124 HydrophobicContact CD1-CG2 3.92Å; I95-I124 HydrophobicContact CG1-CG2 3.94Å; I95-V125 PolarHBondContact N-O 2.85Å; I95-L126 HydrophobicContact CB-CD1 4.15Å; I95-L126 HydrophobicContact CG2-CD1 4.16Å; I95-L126 WeakPolarHBondContact O-CA 3.32Å; I95-C127 PolarHBondContact O-N 3.27Å
96	M	98.6	Very high	96.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.3	-178.4	-168.7	176	-66.6	0	0	111.6	L22 V23 G24 G29 K30 F33 C127 N129 I156	L22-M96 HydrophobicContact CD1-CE 4.3Å; V23-M96 PolarHBondContact O-N 3.44Å; G24-M96 WeakPolarHBondContact CA-O 3.39Å; G29-M96 VanDerWaalsContact C-SD 3.59Å; K30-M96 HydrophobicContact CG-CB 4.03Å; K30-M96 HydrophobicContact CG-SD 4.07Å; F33-M96 HydrophobicContact CB-CE 3.87Å; F33-M96 HydrophobicContact CD1-CE 3.94Å; F33-M96 HydrophobicContact CG-CE 3.88Å; M96-C127 WeakPolarHBondContact CA-O 3.38Å; M96-C127 HydrophobicContact CG-CB 4.49Å; M96-N129 HydrophobicContact CG-CB 3.98Å; M96-N129 HydrophobicContact SD-CB 3.88Å; M96-I156 HydrophobicContact CE-CD1 3.92Å
97	F	98.4	Very high	96.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	167.3	166.4	74.5	-85.9	0	0	0	110.5	V99 Y105 V108 L126 C127 G128 N129 V138 V143 Y153	F97-V99 HydrophobicContact CE2-CG1 4.01Å; F97-Y105 AromaticContact CD1-CD2 3.89Å; F97-Y105 HydrophobicContact CD1-CD2 3.89Å; F97-Y105 HydrophobicContact CD1-CE2 4.47Å; F97-Y105 AromaticContact CD2-CD2 3.84Å; F97-Y105 HydrophobicContact CD2-CD2 3.84Å; F97-Y105 HydrophobicContact CD2-CG 4.31Å; F97-Y105 AromaticContact CE1-CD2 3.84Å; F97-Y105 HydrophobicContact CE1-CD2 3.84Å; F97-Y105 HydrophobicContact CE1-CE2 4.14Å; F97-Y105 AromaticContact CE2-CD2 3.81Å; F97-Y105 HydrophobicContact CE2-CD2 3.81Å; F97-Y105 HydrophobicContact CE2-CG 4.36Å; F97-Y105 AromaticContact CG-CD2 3.88Å; F97-Y105 HydrophobicContact CG-CD2 3.88Å; F97-Y105 AromaticContact CZ-CD2 3.8Å; F97-Y105 HydrophobicContact CZ-CD2 3.8Å; F97-Y105 HydrophobicContact CZ-CE2 4.23Å; F97-V108 HydrophobicContact CB-CG2 4.01Å; F97-V108 HydrophobicContact CD1-CG2 4.24Å; F97-V108 HydrophobicContact CG-CG2 4.38Å; F97-L126 HydrophobicContact CD1-CD1 3.8Å; F97-L126 HydrophobicContact CD1-CG 4.19Å; F97-L126 HydrophobicContact CE1-CD1 4.06Å; F97-L126 HydrophobicContact CE1-CD2 4.18Å; F97-L126 HydrophobicContact CE1-CG 3.94Å; F97-C127 VanDerWaalsContact CD1-O 3.28Å; F97-C127 WeakPolarHBondContact CD1-O 3.39Å; F97-C127 PolarHBondContact N-O 3.02Å; F97-G128 VanDerWaalsContact CE1-CA 3.46Å; F97-G128 VanDerWaalsContact CZ-CA 3.48Å; F97-N129 PolarHBondContact O-N 2.86Å; F97-V138 HydrophobicContact CE2-CB 4.24Å; F97-V138 HydrophobicContact CE2-CG1 3.91Å; F97-V138 HydrophobicContact CE2-CG2 4.41Å; F97-V143 HydrophobicContact CE1-CG1 4.45Å; F97-V143 HydrophobicContact CZ-CG1 4.2Å; F97-V143 HydrophobicContact CZ-CG2 4.07Å; F97-Y153 AromaticContact CE1-CE2 3.75Å; F97-Y153 HydrophobicContact CE1-CE2 3.75Å; F97-Y153 AromaticContact CZ-CE2 3.89Å; F97-Y153 HydrophobicContact CZ-CE2 3.89Å
98	D	97.9	Very high	96.8	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.053	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121	179	-177.9	-16.7	0	0	0	109.6	T28 T100 S101 T104 K130	T28-D98 HydrophobicContact CG2-CB 4.29Å; D98-T100 PolarHBondContact O-N 3.05Å; D98-T100 VanDerWaalsContact O-N 3.08Å; D98-T100 WeakPolarHBondContact OD1-CA 3.32Å; D98-T100 WeakPolarHBondContact OD1-CB 3.43Å; D98-T100 PolarHBondContact OD1-N 2.81Å; D98-T100 PolarHBondContact OD1-OG1 3.45Å; D98-T100 PolarHBondContact OD2-OG1 2.99Å; D98-S101 PolarHBondContact O-N 3.42Å; D98-T104 HydrophobicContact CB-CG2 4.31Å; D98-T104 PolarHBondContact N-OG1 3.28Å; D98-T104 PolarHBondContact O-OG1 3.12Å; D98-K130 VanDerWaalsContact OD2-CD 3.3Å; D98-K130 WeakPolarHBondContact OD2-CD 3.29Å; D98-K130 WeakPolarHBondContact OD2-CE 3.33Å; D98-K130 IonicContact OD2-NZ 3.23Å; D98-K130 PolarHBondContact OD2-NZ 3.48Å
99	V	97.7	Very high	97.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.1	-179.5	-57.1	0	0	0	0	113.2	F97 N129 V131 R136 Q137 V138	F97-V99 HydrophobicContact CE2-CG1 4.01Å; V99-N129 WeakPolarHBondContact CG2-O 3.2Å; V99-N129 PolarHBondContact N-O 2.93Å; V99-V131 HydrophobicContact CG1-CG1 3.91Å; V99-V131 HydrophobicContact CG2-CG1 4.07Å; V99-R136 HydrophobicContact CB-CG 4.34Å; V99-R136 HydrophobicContact CG2-CG 4.36Å; V99-Q137 PolarHBondContact O-N 2.86Å; V99-V138 PolarHBondContact O-N 2.79Å
100	T	97.4	Very high	97.1	Very high	18 Å²	18	36.5 Å²	36.5	11%	0.11	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.3	176.3	73.8	0	0	0	0	113.4	D98 M133 N135 Q137	D98-T100 PolarHBondContact O-N 3.05Å; D98-T100 VanDerWaalsContact O-N 3.08Å; D98-T100 WeakPolarHBondContact OD1-CA 3.32Å; D98-T100 WeakPolarHBondContact OD1-CB 3.43Å; D98-T100 PolarHBondContact OD1-N 2.81Å; D98-T100 PolarHBondContact OD1-OG1 3.45Å; D98-T100 PolarHBondContact OD2-OG1 2.99Å; T100-M133 HydrophobicContact CG2-CB 3.55Å; T100-M133 HydrophobicContact CG2-CE 4.18Å; T100-M133 HydrophobicContact CG2-CG 4.21Å; T100-M133 HydrophobicContact CG2-SD 3.85Å; T100-N135 WeakPolarHBondContact CB-O 3.19Å; T100-Q137 WeakPolarHBondContact O-CG 3.39Å; T100-Q137 PolarHBondContact O-NE2 3.2Å; T100-Q137 VanDerWaalsContact O-NE2 3.17Å
101	S	97.3	Very high	97.1	Very high	38 Å²	38	36.5 Å²	36.5	27%	0.266	18%	0.182	S	C	.	.			trans	-133.2	107.1	-179.6	-179.6	0	0	0	0	112.3	D98 L103 T104	D98-S101 PolarHBondContact O-N 3.42Å; S101-L103 PolarHBondContact O-N 2.86Å; S101-T104 PolarHBondContact O-N 2.88Å; S101-T104 VanDerWaalsContact O-N 3.17Å; S101-T104 PolarHBondContact O-OG1 2.92Å
102	R	96.9	Very high	96.9	Very high	139 Å²	139	33.5 Å²	33.5	53%	0.525	17%	0.168	S	C	.	.	H	α-helix	trans	-58.2	-35.3	178.7	-66.7	-175.6	-179.8	173.7	7.7	113.2	T104 Y105 K106 Q137 V138 M142	R102-T104 VanDerWaalsContact C-N 3.29Å; R102-T104 PolarHBondContact O-N 2.84Å; R102-Y105 PolarHBondContact O-N 2.82Å; R102-Y105 VanDerWaalsContact O-N 3.16Å; R102-K106 PolarHBondContact O-N 2.95Å; R102-Q137 HydrophobicContact CG-CB 3.92Å; R102-Q137 PolarHBondContact NE-O 2.95Å; R102-Q137 VanDerWaalsContact NE-O 3.11Å; R102-V138 HydrophobicContact CG-CG2 4.32Å; R102-M142 HydrophobicContact CG-CE 4.41Å
103	L	96.1	Very high	96.7	Very high	105 Å²	105	40.8 Å²	40.8	55%	0.55	20%	0.2	S	C	.	.	H	α-helix	trans	-58.6	-42.9	179.4	-179.7	61.1	0	0	0	111.4	S101 Y105 K106 N107	S101-L103 PolarHBondContact O-N 2.86Å; L103-Y105 PolarHBondContact O-N 3.43Å; L103-K106 WeakPolarHBondContact O-CB 3.47Å; L103-K106 PolarHBondContact O-N 3.18Å; L103-K106 VanDerWaalsContact O-N 3.13Å; L103-N107 PolarHBondContact O-N 3.02Å; L103-N107 PolarHBondContact O-ND2 2.9Å
104	T	97.1	Very high	96.4	Very high	10 Å²	10	41.4 Å²	41.4	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-31.2	-179.5	68.6	0	0	0	0	112.5	D25 T28 D98 S101 R102	D25-T104 HydrophobicContact CB-CG2 3.8Å; D25-T104 WeakPolarHBondContact OD2-CA 3.31Å; T28-T104 HydrophobicContact CG2-CG2 3.85Å; D98-T104 HydrophobicContact CB-CG2 4.31Å; D98-T104 PolarHBondContact N-OG1 3.28Å; D98-T104 PolarHBondContact O-OG1 3.12Å; S101-T104 PolarHBondContact O-N 2.88Å; S101-T104 VanDerWaalsContact O-N 3.17Å; S101-T104 PolarHBondContact O-OG1 2.92Å; R102-T104 VanDerWaalsContact C-N 3.29Å; R102-T104 PolarHBondContact O-N 2.84Å
105	Y	97.8	Very high	96.2	Very high	28 Å²	28	41.3 Å²	41.3	11%	0.11	20%	0.203	C	C	.	.	H	α-helix	trans	-75.1	-42.1	172.8	-173.5	-108.1	0	0	0	112.1	F97 R102 L103 N107 V108 L126 V138 M142 V143 T144 F145	F97-Y105 AromaticContact CD1-CD2 3.89Å; F97-Y105 HydrophobicContact CD1-CD2 3.89Å; F97-Y105 HydrophobicContact CD1-CE2 4.47Å; F97-Y105 AromaticContact CD2-CD2 3.84Å; F97-Y105 HydrophobicContact CD2-CD2 3.84Å; F97-Y105 HydrophobicContact CD2-CG 4.31Å; F97-Y105 AromaticContact CE1-CD2 3.84Å; F97-Y105 HydrophobicContact CE1-CD2 3.84Å; F97-Y105 HydrophobicContact CE1-CE2 4.14Å; F97-Y105 AromaticContact CE2-CD2 3.81Å; F97-Y105 HydrophobicContact CE2-CD2 3.81Å; F97-Y105 HydrophobicContact CE2-CG 4.36Å; F97-Y105 AromaticContact CG-CD2 3.88Å; F97-Y105 HydrophobicContact CG-CD2 3.88Å; F97-Y105 AromaticContact CZ-CD2 3.8Å; F97-Y105 HydrophobicContact CZ-CD2 3.8Å; F97-Y105 HydrophobicContact CZ-CE2 4.23Å; R102-Y105 PolarHBondContact O-N 2.82Å; R102-Y105 VanDerWaalsContact O-N 3.16Å; L103-Y105 PolarHBondContact O-N 3.43Å; Y105-N107 PolarHBondContact O-N 3.32Å; Y105-N107 VanDerWaalsContact O-N 3.13Å; Y105-V108 HydrophobicContact CD2-CG2 4.05Å; Y105-V108 HydrophobicContact CE2-CG2 4.43Å; Y105-V108 VanDerWaalsContact O-CB 3.31Å; Y105-V108 WeakPolarHBondContact O-CB 3.37Å; Y105-V108 WeakPolarHBondContact O-CG2 3.46Å; Y105-V108 PolarHBondContact O-N 3.02Å; Y105-L126 HydrophobicContact CE2-CD2 4.28Å; Y105-V138 HydrophobicContact CD1-CG1 4.25Å; Y105-V138 HydrophobicContact CD2-CG1 4.49Å; Y105-V138 HydrophobicContact CG-CG1 4.03Å; Y105-M142 WeakPolarHBondContact CE1-O 3.39Å; Y105-V143 HydrophobicContact CE2-CB 4.39Å; Y105-V143 HydrophobicContact CE2-CG1 3.76Å; Y105-V143 HydrophobicContact CE2-CG2 4.43Å; Y105-V143 VanDerWaalsContact OH-CA 3.29Å; Y105-V143 WeakPolarHBondContact OH-CA 3.39Å; Y105-T144 PolarHBondContact OH-N 2.96Å; Y105-F145 VanDerWaalsContact OH-CB 3.27Å; Y105-F145 WeakPolarHBondContact OH-CB 3.05Å; Y105-F145 PolarHBondContact OH-N 3.4Å
106	K	96.5	Very high	95.9	Very high	141 Å²	141	43.9 Å²	43.9	61%	0.613	22%	0.22	S	C	*	.	H	α-helix	trans	-56.2	-29.3	175.6	-173.4	172.8	180	170.5	0	112.1	R102 L103 P109	R102-K106 PolarHBondContact O-N 2.95Å; L103-K106 WeakPolarHBondContact O-CB 3.47Å; L103-K106 PolarHBondContact O-N 3.18Å; L103-K106 VanDerWaalsContact O-N 3.13Å; K106-P109 WeakPolarHBondContact O-CD 3.49Å
107	N	95.6	Very high	95.6	Very high	49 Å²	49	49.6 Å²	49.6	26%	0.262	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.5	179.2	-69.6	-22.5	0	0	0	114.9	D25 L103 Y105 P109 T110 W111	D25-N107 WeakPolarHBondContact OD1-CB 3.35Å; D25-N107 PolarHBondContact OD2-ND2 2.88Å; L103-N107 PolarHBondContact O-N 3.02Å; L103-N107 PolarHBondContact O-ND2 2.9Å; Y105-N107 PolarHBondContact O-N 3.32Å; Y105-N107 VanDerWaalsContact O-N 3.13Å; N107-P109 VanDerWaalsContact C-CD 3.45Å; N107-T110 WeakPolarHBondContact O-CB 3.46Å; N107-T110 PolarHBondContact O-N 3.28Å; N107-T110 VanDerWaalsContact O-N 3.07Å; N107-W111 VanDerWaalsContact O-CD1 3.22Å; N107-W111 PolarHBondContact O-N 3.13Å
108	V	96.7	Very high	95.4	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-52.6	-44	178.2	167.2	0	0	0	0	113.3	I95 F97 Y105 T110 W111 H112 L126 F145	I95-V108 HydrophobicContact CG2-CG1 4.18Å; I95-V108 HydrophobicContact CG2-CG2 4.29Å; F97-V108 HydrophobicContact CB-CG2 4.01Å; F97-V108 HydrophobicContact CD1-CG2 4.24Å; F97-V108 HydrophobicContact CG-CG2 4.38Å; Y105-V108 HydrophobicContact CD2-CG2 4.05Å; Y105-V108 HydrophobicContact CE2-CG2 4.43Å; Y105-V108 VanDerWaalsContact O-CB 3.31Å; Y105-V108 WeakPolarHBondContact O-CB 3.37Å; Y105-V108 WeakPolarHBondContact O-CG2 3.46Å; Y105-V108 PolarHBondContact O-N 3.02Å; V108-T110 VanDerWaalsContact C-N 3.26Å; V108-T110 PolarHBondContact O-N 3.31Å; V108-W111 PolarHBondContact O-N 3.11Å; V108-H112 PolarHBondContact O-N 3.14Å; V108-L126 HydrophobicContact CG1-CD1 3.68Å; V108-L126 HydrophobicContact CG2-CD1 3.95Å; V108-F145 HydrophobicContact CG1-CD1 3.46Å; V108-F145 VanDerWaalsContact CG1-CD1 3.46Å; V108-F145 HydrophobicContact CG1-CE1 3.8Å; V108-F145 HydrophobicContact CG1-CG 4.04Å
109	P	95.8	Very high	95.2	Very high	58 Å²	58	51.6 Å²	51.6	38%	0.377	25%	0.254	S	S	.	.	H	α-helix	trans	-57.8	-36.3	177.3	-25	34.8	0	0	0	113.7	K106 N107 H112 K113 F145	K106-P109 WeakPolarHBondContact O-CD 3.49Å; N107-P109 VanDerWaalsContact C-CD 3.45Å; P109-H112 PolarHBondContact O-N 3.13Å; P109-K113 VanDerWaalsContact O-CB 3.32Å; P109-K113 WeakPolarHBondContact O-CB 3.33Å; P109-K113 PolarHBondContact O-N 3.07Å; P109-F145 HydrophobicContact CB-CD2 4.33Å; P109-F145 HydrophobicContact CB-CE2 3.68Å; P109-F145 HydrophobicContact CB-CZ 4.16Å; P109-F145 HydrophobicContact CG-CD2 3.81Å; P109-F145 HydrophobicContact CG-CE2 3.68Å; P109-F145 HydrophobicContact CG-CZ 4.41Å
110	T	93.3	Very high	94.7	Very high	74 Å²	74	58.2 Å²	58.2	45%	0.454	29%	0.29	S	S	.	.	H	α-helix	trans	-65.2	-48.2	177.8	-56.7	0	0	0	0	110.9	N107 V108 H112 K113 D114	N107-T110 WeakPolarHBondContact O-CB 3.46Å; N107-T110 PolarHBondContact O-N 3.28Å; N107-T110 VanDerWaalsContact O-N 3.07Å; V108-T110 VanDerWaalsContact C-N 3.26Å; V108-T110 PolarHBondContact O-N 3.31Å; T110-H112 VanDerWaalsContact C-N 3.33Å; T110-H112 PolarHBondContact O-N 2.62Å; T110-K113 PolarHBondContact O-N 3.24Å; T110-D114 PolarHBondContact O-N 2.81Å
111	W	94.2	Very high	94.4	Very high	9 Å²	9	65.4 Å²	65.4	3%	0.034	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-42.3	176.7	-69.6	111.1	0	0	0	112.5	V23 G24 D25 R83 I95 N107 V108 D114 I115	V23-W111 HydrophobicContact CB-CD2 4.25Å; V23-W111 HydrophobicContact CB-CE3 3.67Å; V23-W111 HydrophobicContact CB-CZ3 4.06Å; V23-W111 HydrophobicContact CG1-CE3 4.31Å; V23-W111 HydrophobicContact CG1-CZ3 4.5Å; V23-W111 HydrophobicContact CG2-CB 3.99Å; V23-W111 HydrophobicContact CG2-CD2 4.41Å; V23-W111 HydrophobicContact CG2-CE3 4.14Å; V23-W111 HydrophobicContact CG2-CG 4.39Å; G24-W111 VanDerWaalsContact C-CE2 3.44Å; G24-W111 VanDerWaalsContact C-CZ2 3.42Å; G24-W111 WeakPolarHBondContact O-CZ2 3.28Å; D25-W111 PolarHBondContact OD1-NE1 3.17Å; R83-W111 VanDerWaalsContact CZ-CZ3 3.44Å; R83-W111 VanDerWaalsContact NH1-CZ3 3.27Å; I95-W111 HydrophobicContact CG2-CB 4.06Å; N107-W111 VanDerWaalsContact O-CD1 3.22Å; N107-W111 PolarHBondContact O-N 3.13Å; V108-W111 PolarHBondContact O-N 3.11Å; W111-D114 PolarHBondContact O-N 3.06Å; W111-I115 WeakPolarHBondContact O-CG1 3.23Å; W111-I115 PolarHBondContact O-N 3.45Å; W111-I115 VanDerWaalsContact O-N 3.07Å
112	H	95.1	Very high	94.4	Very high	22 Å²	22	65 Å²	65	10%	0.102	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-46.6	175.9	177.7	-80.9	0	0	0	111.7	I95 V108 P109 T110 D114 I115 C116 F145	I95-H112 HydrophobicContact CD1-CB 3.78Å; V108-H112 PolarHBondContact O-N 3.14Å; P109-H112 PolarHBondContact O-N 3.13Å; T110-H112 VanDerWaalsContact C-N 3.33Å; T110-H112 PolarHBondContact O-N 2.62Å; H112-D114 VanDerWaalsContact C-N 3.29Å; H112-D114 PolarHBondContact O-N 2.78Å; H112-I115 PolarHBondContact O-N 2.97Å; H112-C116 PolarHBondContact CE1-SG 3.37Å; H112-C116 PolarHBondContact O-N 3.44Å; H112-C116 PolarHBondContact O-SG 3.46Å; H112-C116 VanDerWaalsContact O-SG 3.4Å; H112-F145 HydrophobicContact CB-CE1 3.64Å; H112-F145 HydrophobicContact CB-CZ 3.63Å; H112-F145 AromaticContact CD2-CE1 3.81Å; H112-F145 AromaticContact CG-CE1 3.68Å; H112-F145 AromaticContact CG-CZ 3.63Å; H112-F145 AromaticContact ND1-CZ 3.98Å
113	K	93	Very high	94.5	Very high	153 Å²	153	59.9 Å²	59.9	67%	0.665	31%	0.307	S	S	*	.	H	α-helix	trans	-59.3	-41.6	177.8	-177.8	179.3	179.1	178.4	0	111.8	P109 T110 C116 R117	P109-K113 VanDerWaalsContact O-CB 3.32Å; P109-K113 WeakPolarHBondContact O-CB 3.33Å; P109-K113 PolarHBondContact O-N 3.07Å; T110-K113 PolarHBondContact O-N 3.24Å; K113-C116 PolarHBondContact O-N 3.38Å; K113-R117 PolarHBondContact O-N 2.86Å
114	D	92.1	Very high	94.6	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.064	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-42.5	177.6	-86.2	-11.1	0	0	0	111.9	R83 Y87 T110 W111 H112 R117	R83-D114 IonicContact CZ-OD2 2.69Å; R83-D114 IonicContact NE-OD2 3.38Å; R83-D114 IonicContact NH2-OD2 2.74Å; R83-D114 PolarHBondContact NH2-OD2 2.67Å; Y87-D114 HydrophobicContact CE2-CB 3.96Å; T110-D114 PolarHBondContact O-N 2.81Å; W111-D114 PolarHBondContact O-N 3.06Å; H112-D114 VanDerWaalsContact C-N 3.29Å; H112-D114 PolarHBondContact O-N 2.78Å; D114-R117 PolarHBondContact O-N 3.42Å; D114-R117 IonicContact OD1-CZ 2.69Å; D114-R117 IonicContact OD1-NH1 3.69Å; D114-R117 PolarHBondContact OD1-NH1 2.83Å; D114-R117 IonicContact OD1-NH2 3.42Å; D114-R117 PolarHBondContact OD1-NH2 3.42Å
115	I	93.8	Very high	94.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-51.9	173.5	-70	164.3	0	0	0	110.8	V23 A93 I95 W111 H112 R117 V118 C119 I122 I124	V23-I115 HydrophobicContact CG1-CD1 4.35Å; V23-I115 HydrophobicContact CG2-CD1 3.56Å; V23-I115 HydrophobicContact CG2-CG1 4.45Å; A93-I115 HydrophobicContact CB-CD1 3.82Å; A93-I115 HydrophobicContact CB-CG2 4.48Å; I95-I115 HydrophobicContact CD1-CD1 4.08Å; I95-I115 HydrophobicContact CG1-CD1 3.9Å; W111-I115 WeakPolarHBondContact O-CG1 3.23Å; W111-I115 PolarHBondContact O-N 3.45Å; W111-I115 VanDerWaalsContact O-N 3.07Å; H112-I115 PolarHBondContact O-N 2.97Å; I115-R117 PolarHBondContact O-N 3.14Å; I115-V118 PolarHBondContact O-N 3.18Å; I115-C119 HydrophobicContact CG2-CB 4.23Å; I115-C119 PolarHBondContact O-N 2.97Å; I115-I122 HydrophobicContact CG2-CD1 3.86Å; I115-I122 HydrophobicContact CG2-CG1 4.4Å; I115-I124 HydrophobicContact CG2-CD1 4.06Å
116	C	93.7	Very high	94.7	Very high	53 Å²	53	53.5 Å²	53.5	36%	0.358	28%	0.275	S	S	.	.	H	α-helix	trans	-66.9	-15.9	-176.9	-67.1	0	0	0	0	113.9	H112 K113 V118	H112-C116 PolarHBondContact CE1-SG 3.37Å; H112-C116 PolarHBondContact O-N 3.44Å; H112-C116 PolarHBondContact O-SG 3.46Å; H112-C116 VanDerWaalsContact O-SG 3.4Å; K113-C116 PolarHBondContact O-N 3.38Å; C116-V118 VanDerWaalsContact C-N 3.27Å
117	R	91.8	Very high	94.8	Very high	121 Å²	121	46.8 Å²	46.8	46%	0.457	25%	0.246	S	C	.	.	H	α-helix	trans	-68.4	-29.3	170.6	176.6	171.8	67.3	-119.5	-0.2	111.9	G80 D84 K113 D114 I115	G80-R117 PolarHBondContact O-NH2 2.93Å; D84-R117 IonicContact OD1-CZ 2.96Å; D84-R117 IonicContact OD1-NE 2.75Å; D84-R117 PolarHBondContact OD1-NE 2.87Å; D84-R117 IonicContact OD1-NH2 2.62Å; D84-R117 PolarHBondContact OD1-NH2 2.83Å; D84-R117 IonicContact OD2-CZ 2.79Å; D84-R117 IonicContact OD2-NE 2.96Å; D84-R117 PolarHBondContact OD2-NE 3.42Å; D84-R117 IonicContact OD2-NH2 3.45Å; D84-R117 PolarHBondContact OD2-NH2 2.89Å; K113-R117 PolarHBondContact O-N 2.86Å; D114-R117 PolarHBondContact O-N 3.42Å; D114-R117 IonicContact OD1-CZ 2.69Å; D114-R117 IonicContact OD1-NH1 3.69Å; D114-R117 PolarHBondContact OD1-NH1 2.83Å; D114-R117 IonicContact OD1-NH2 3.42Å; D114-R117 PolarHBondContact OD1-NH2 3.42Å; I115-R117 PolarHBondContact O-N 3.14Å
118	V	93.6	Very high	95	Very high	43 Å²	43	44.5 Å²	44.5	26%	0.261	23%	0.233	S	C	.	.	H	α-helix	trans	-112.2	-34.9	-171	-175.1	0	0	0	0	112.3	D84 Y87 I88 I115 C116	D84-V118 HydrophobicContact CB-CG2 3.81Å; Y87-V118 HydrophobicContact CD2-CB 4.49Å; Y87-V118 HydrophobicContact CD2-CG2 4.11Å; I88-V118 HydrophobicContact CB-CG1 4.47Å; I88-V118 HydrophobicContact CG1-CG1 3.81Å; I115-V118 PolarHBondContact O-N 3.18Å; C116-V118 VanDerWaalsContact C-N 3.27Å
119	C	94.1	Very high	95	Very high	10 Å²	10	44.6 Å²	44.6	7%	0.068	23%	0.234	C	C	.	.			trans	-114.1	116.8	-178.1	-57.7	0	0	0	0	110.5	Y87 I115 I122	Y87-C119 PolarHBondContact O-SG 3.16Å; I115-C119 HydrophobicContact CG2-CB 4.23Å; I115-C119 PolarHBondContact O-N 2.97Å; C119-I122 HydrophobicContact CB-CD1 3.66Å; C119-I122 HydrophobicContact CB-CG1 3.95Å; C119-I122 HydrophobicContact CB-CG2 4.01Å
120	D	87.5	Confident	95.1	Very high	139 Å²	139	44.4 Å²	44.4	74%	0.743	23%	0.227	S	C	*	.	S	Bend	trans	-84.2	125.9	173.7	-71.5	-31.5	0	0	0	110.9	I122	D120-I122 PolarHBondContact O-N 3.03Å
121	N	91.1	Very high	95.2	Very high	168 Å²	168	41.7 Å²	41.7	90%	0.898	21%	0.21	S	C	*	.	S	Bend	trans	56.3	34.3	166.6	-62.5	-34.4	0	0	0	117
122	I	97.3	Very high	95.2	Very high	30 Å²	30	42.7 Å²	42.7	15%	0.154	22%	0.216	C	C	.	.			trans	-79.9	147.5	173.4	64.1	169	0	0	0	111.7	I21 G90 H91 A93 I115 C119 D120 I124	I21-I122 HydrophobicContact CD1-CD1 4.48Å; G90-I122 WeakPolarHBondContact O-CG2 3.35Å; H91-I122 WeakPolarHBondContact O-CB 3.47Å; A93-I122 HydrophobicContact CB-CD1 4.02Å; I115-I122 HydrophobicContact CG2-CD1 3.86Å; I115-I122 HydrophobicContact CG2-CG1 4.4Å; C119-I122 HydrophobicContact CB-CD1 3.66Å; C119-I122 HydrophobicContact CB-CG1 3.95Å; C119-I122 HydrophobicContact CB-CG2 4.01Å; D120-I122 PolarHBondContact O-N 3.03Å; I122-I124 HydrophobicContact CG1-CD1 4.42Å; I122-I124 HydrophobicContact CG1-CG1 4.11Å; I122-I124 PolarHBondContact O-N 3.22Å
123	P	98.2	Very high	95.1	Very high	32 Å²	32	45.6 Å²	45.6	21%	0.208	23%	0.231	C	C	.	.			trans	-65.3	130.9	170.9	26.4	-34.4	0	0	0	111	H91 C92 A93 L171 K174 L175	H91-P123 WeakPolarHBondContact O-CD 3.33Å; C92-P123 VanDerWaalsContact CA-O 3.32Å; C92-P123 WeakPolarHBondContact CA-O 3.49Å; C92-P123 HydrophobicContact CB-CG 3.97Å; C92-P123 WeakPolarHBondContact CB-O 3.47Å; A93-P123 PolarHBondContact N-O 3.24Å; P123-L171 HydrophobicContact CB-CD2 3.88Å; P123-L171 HydrophobicContact CG-CD2 4.21Å; P123-L171 WeakPolarHBondContact O-CD2 3.2Å; P123-K174 HydrophobicContact CB-CB 3.9Å; P123-K174 HydrophobicContact CB-CG 4.28Å; P123-K174 HydrophobicContact CG-CB 4.19Å; P123-L175 HydrophobicContact CG-CD2 3.79Å; P123-L175 HydrophobicContact CG-CG 4.12Å
124	I	98.6	Very high	94.9	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.046	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.1	-179.1	-56.7	177.2	0	0	0	109.7	A93 I95 I115 I122 L151 Q152	A93-I124 HydrophobicContact CB-CG1 3.99Å; A93-I124 HydrophobicContact CB-CG2 4.32Å; A93-I124 VanDerWaalsContact O-CA 3.31Å; A93-I124 WeakPolarHBondContact O-CA 3.31Å; I95-I124 HydrophobicContact CD1-CG2 3.92Å; I95-I124 HydrophobicContact CG1-CG2 3.94Å; I115-I124 HydrophobicContact CG2-CD1 4.06Å; I122-I124 HydrophobicContact CG1-CD1 4.42Å; I122-I124 HydrophobicContact CG1-CG1 4.11Å; I122-I124 PolarHBondContact O-N 3.22Å; I124-L151 HydrophobicContact CB-CD2 4.07Å; I124-L151 HydrophobicContact CG2-CD1 4.31Å; I124-L151 HydrophobicContact CG2-CD2 4.44Å; I124-Q152 PolarHBondContact O-N 3.07Å
125	V	98.7	Very high	94.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.9	169.6	-177.1	0	0	0	0	109.6	A93 I94 I95 Q152 Y154 P167 Y170 L171	A93-V125 PolarHBondContact O-N 3.42Å; I94-V125 CarbonylContact C-O 3.51Å; I94-V125 VanDerWaalsContact CA-O 3.32Å; I94-V125 WeakPolarHBondContact CA-O 3.47Å; I94-V125 HydrophobicContact CG1-CB 4.29Å; I95-V125 PolarHBondContact N-O 2.85Å; V125-Q152 CarbonylContact C-O 3.58Å; V125-Q152 WeakPolarHBondContact CA-O 3.05Å; V125-Q152 HydrophobicContact CG2-CB 4.32Å; V125-Y154 HydrophobicContact CG1-CD2 3.75Å; V125-Y154 HydrophobicContact CG1-CE2 4.33Å; V125-P167 HydrophobicContact CB-CB 4.46Å; V125-P167 HydrophobicContact CG1-CB 4.01Å; V125-P167 HydrophobicContact CG1-CG 4.44Å; V125-Y170 HydrophobicContact CG2-CD1 3.45Å; V125-Y170 VanDerWaalsContact CG2-CD1 3.45Å; V125-Y170 HydrophobicContact CG2-CE1 4.02Å; V125-Y170 HydrophobicContact CG2-CG 4.33Å; V125-L171 HydrophobicContact CG2-CD1 4.25Å; V125-L171 HydrophobicContact CG2-CD2 3.76Å; V125-L171 HydrophobicContact CG2-CG 3.74Å
126	L	98.7	Very high	95	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.5	166.6	-177.9	65.3	0	0	0	109.1	I95 F97 Y105 V108 V143 H146 Q152 Y153 Y154	I95-L126 HydrophobicContact CB-CD1 4.15Å; I95-L126 HydrophobicContact CG2-CD1 4.16Å; I95-L126 WeakPolarHBondContact O-CA 3.32Å; F97-L126 HydrophobicContact CD1-CD1 3.8Å; F97-L126 HydrophobicContact CD1-CG 4.19Å; F97-L126 HydrophobicContact CE1-CD1 4.06Å; F97-L126 HydrophobicContact CE1-CD2 4.18Å; F97-L126 HydrophobicContact CE1-CG 3.94Å; Y105-L126 HydrophobicContact CE2-CD2 4.28Å; V108-L126 HydrophobicContact CG1-CD1 3.68Å; V108-L126 HydrophobicContact CG2-CD1 3.95Å; L126-V143 HydrophobicContact CD2-CG1 4.16Å; L126-H146 HydrophobicContact CB-CB 4.49Å; L126-H146 HydrophobicContact CD2-CB 4Å; L126-Q152 PolarHBondContact N-O 3.13Å; L126-Y153 HydrophobicContact CB-CD2 4.18Å; L126-Y153 HydrophobicContact CD2-CD2 4.04Å; L126-Y153 HydrophobicContact CG-CD2 3.96Å; L126-Y153 WeakPolarHBondContact O-CA 3.42Å; L126-Y153 VanDerWaalsContact O-CD2 3.31Å; L126-Y153 WeakPolarHBondContact O-CD2 3.49Å; L126-Y154 PolarHBondContact O-N 3.29Å
127	C	98.7	Very high	95.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.3	179.5	-71.3	0	0	0	0	111	I94 I95 M96 F97 Y154 I156 P167	I94-C127 HydrophobicContact CG2-CB 4.21Å; I95-C127 PolarHBondContact O-N 3.27Å; M96-C127 WeakPolarHBondContact CA-O 3.38Å; M96-C127 HydrophobicContact CG-CB 4.49Å; F97-C127 VanDerWaalsContact CD1-O 3.28Å; F97-C127 WeakPolarHBondContact CD1-O 3.39Å; F97-C127 PolarHBondContact N-O 3.02Å; C127-Y154 WeakPolarHBondContact CA-O 3.36Å; C127-I156 HydrophobicContact CB-CD1 3.89Å; C127-I156 HydrophobicContact CB-CG1 4.26Å; C127-P167 VanDerWaalsContact SG-CG 3.5Å
128	G	98.4	Very high	95.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	102.8	167.2	0	0	0	0	0	109.5	F97 Y154 E155 I156	F97-G128 VanDerWaalsContact CE1-CA 3.46Å; F97-G128 VanDerWaalsContact CZ-CA 3.48Å; G128-Y154 PolarHBondContact N-O 3.17Å; G128-E155 WeakPolarHBondContact O-CA 3.42Å; G128-I156 PolarHBondContact O-N 2.61Å
129	N	98.2	Very high	95.2	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	167	-177.2	-168.8	28.4	0	0	0	112.3	T28 M96 F97 V99 I156 S157 A158	T28-N129 PolarHBondContact O-ND2 2.86Å; M96-N129 HydrophobicContact CG-CB 3.98Å; M96-N129 HydrophobicContact SD-CB 3.88Å; F97-N129 PolarHBondContact O-N 2.86Å; V99-N129 WeakPolarHBondContact CG2-O 3.2Å; V99-N129 PolarHBondContact N-O 2.93Å; N129-I156 CarbonylContact C-O 3.58Å; N129-I156 VanDerWaalsContact CA-O 3.31Å; N129-I156 WeakPolarHBondContact CA-O 3.25Å; N129-I156 HydrophobicContact CB-CD1 4.27Å; N129-I156 HydrophobicContact CB-CG1 3.95Å; N129-I156 PolarHBondContact OD1-O 2.93Å; N129-S157 WeakPolarHBondContact OD1-CA 3.19Å; N129-A158 PolarHBondContact OD1-N 2.78Å; N129-A158 VanDerWaalsContact OD1-N 3.12Å
130	K	96.5	Very high	95	Very high	54 Å²	54	53.5 Å²	53.5	24%	0.235	26%	0.263	C	S	.	.			trans	68.8	33.4	177.4	-47.8	-167.9	-166.1	165.5	0	114.6	G27 D98 D132 M133 I156	G27-K130 VanDerWaalsContact O-CE 3.32Å; G27-K130 WeakPolarHBondContact O-CE 3.32Å; G27-K130 PolarHBondContact O-NZ 3.33Å; D98-K130 VanDerWaalsContact OD2-CD 3.3Å; D98-K130 WeakPolarHBondContact OD2-CD 3.29Å; D98-K130 WeakPolarHBondContact OD2-CE 3.33Å; D98-K130 IonicContact OD2-NZ 3.23Å; D98-K130 PolarHBondContact OD2-NZ 3.48Å; K130-D132 WeakPolarHBondContact CA-OD1 3.05Å; K130-D132 PolarHBondContact O-N 2.95Å; K130-D132 VanDerWaalsContact O-N 3.16Å; K130-M133 HydrophobicContact CB-CG 4.27Å; K130-M133 HydrophobicContact CB-SD 4.23Å; K130-M133 HydrophobicContact CD-SD 4.03Å; K130-M133 WeakPolarHBondContact O-CB 3.47Å; K130-M133 PolarHBondContact O-N 3.25Å; K130-I156 PolarHBondContact N-O 3.23Å
131	V	96.4	Very high	95.1	Very high	16 Å²	16	53.7 Å²	53.7	10%	0.097	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.7	176	-54.1	0	0	0	0	113.9	V99 M133 E155 I156 Y162 I196	V99-V131 HydrophobicContact CG1-CG1 3.91Å; V99-V131 HydrophobicContact CG2-CG1 4.07Å; V131-M133 PolarHBondContact O-N 2.87Å; V131-E155 HydrophobicContact CG1-CB 3.87Å; V131-E155 HydrophobicContact CG1-CG 4.15Å; V131-E155 WeakPolarHBondContact CG1-OE2 3.31Å; V131-I156 WeakPolarHBondContact CG2-O 3.47Å; V131-I156 PolarHBondContact N-O 2.93Å; V131-Y162 HydrophobicContact CG2-CD1 3.64Å; V131-Y162 HydrophobicContact CG2-CE1 3.97Å; V131-I196 HydrophobicContact CG2-CD1 4.02Å
132	D	94.4	Very high	95.1	Very high	31 Å²	31	48.8 Å²	48.8	17%	0.166	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.6	167.6	58.7	-72.3	0	0	0	113.5	K130 S157 K159 V194 I196	K130-D132 WeakPolarHBondContact CA-OD1 3.05Å; K130-D132 PolarHBondContact O-N 2.95Å; K130-D132 VanDerWaalsContact O-N 3.16Å; D132-S157 VanDerWaalsContact CG-OG 3.26Å; D132-S157 VanDerWaalsContact OD1-CB 3.31Å; D132-S157 WeakPolarHBondContact OD1-CB 3.16Å; D132-S157 PolarHBondContact OD1-OG 2.9Å; D132-K159 VanDerWaalsContact OD2-CD 3.3Å; D132-K159 WeakPolarHBondContact OD2-CD 3.46Å; D132-V194 HydrophobicContact CB-CG1 4.14Å; D132-I196 HydrophobicContact CB-CD1 3.55Å
133	M	93.2	Very high	95	Very high	83 Å²	83	47.7 Å²	47.7	41%	0.409	22%	0.224	S	C	.	.			trans	-86.2	128.5	-178.5	-66.5	-168.5	62.1	0	0	112.1	T100 K130 V131 N135	T100-M133 HydrophobicContact CG2-CB 3.55Å; T100-M133 HydrophobicContact CG2-CE 4.18Å; T100-M133 HydrophobicContact CG2-CG 4.21Å; T100-M133 HydrophobicContact CG2-SD 3.85Å; K130-M133 HydrophobicContact CB-CG 4.27Å; K130-M133 HydrophobicContact CB-SD 4.23Å; K130-M133 HydrophobicContact CD-SD 4.03Å; K130-M133 WeakPolarHBondContact O-CB 3.47Å; K130-M133 PolarHBondContact O-N 3.25Å; V131-M133 PolarHBondContact O-N 2.87Å; M133-N135 VanDerWaalsContact C-N 3.31Å; M133-N135 PolarHBondContact O-N 3.13Å
134	K	88.7	Confident	94.8	Very high	213 Å²	213	47.3 Å²	47.3	93%	0.926	22%	0.221	S	C	*	.	S	Bend	trans	-65	-30	178.4	-63.8	-173.8	178.5	-176.4	0	113.9	R136	K134-R136 PolarHBondContact O-N 3.16Å
135	N	91.7	Very high	94.6	Very high	106 Å²	106	47.8 Å²	47.8	57%	0.567	22%	0.223	S	C	*	.			trans	-80.9	56.1	-178.4	-170	27.1	0	0	0	112.3	T100 M133 Q137	T100-N135 WeakPolarHBondContact CB-O 3.19Å; M133-N135 VanDerWaalsContact C-N 3.31Å; M133-N135 PolarHBondContact O-N 3.13Å; N135-Q137 PolarHBondContact O-N 3.1Å
136	R	94.9	Very high	94.4	Very high	49 Å²	49	48.9 Å²	48.9	19%	0.185	23%	0.228	C	C	.	.			trans	-69.8	123.7	178.2	-179.9	175.4	-178.3	134.7	3.9	110.5	V99 K134 V138 E155 I204	V99-R136 HydrophobicContact CB-CG 4.34Å; V99-R136 HydrophobicContact CG2-CG 4.36Å; K134-R136 PolarHBondContact O-N 3.16Å; R136-V138 VanDerWaalsContact CZ-O 3.32Å; R136-V138 PolarHBondContact NE-O 3.28Å; R136-V138 PolarHBondContact NH2-O 2.9Å; R136-E155 IonicContact CZ-OE1 3.18Å; R136-E155 IonicContact CZ-OE2 3.06Å; R136-E155 IonicContact NH1-OE1 3.84Å; R136-E155 PolarHBondContact NH1-OE1 3.46Å; R136-E155 IonicContact NH1-OE2 2.83Å; R136-E155 PolarHBondContact NH1-OE2 3.14Å; R136-E155 IonicContact NH2-OE1 2.79Å; R136-E155 PolarHBondContact NH2-OE1 2.77Å; R136-I204 VanDerWaalsContact NH1-CG2 3.29Å
137	Q	96.6	Very high	94.2	Very high	74 Å²	74	52.3 Å²	52.3	35%	0.346	24%	0.241	S	C	.	.			trans	-107.2	-25.1	178.9	-60.5	-166.1	21	0	0	114	V99 T100 R102 N135	V99-Q137 PolarHBondContact O-N 2.86Å; T100-Q137 WeakPolarHBondContact O-CG 3.39Å; T100-Q137 PolarHBondContact O-NE2 3.2Å; T100-Q137 VanDerWaalsContact O-NE2 3.17Å; R102-Q137 HydrophobicContact CG-CB 3.92Å; R102-Q137 PolarHBondContact NE-O 2.95Å; R102-Q137 VanDerWaalsContact NE-O 3.11Å; N135-Q137 PolarHBondContact O-N 3.1Å
138	V	95.9	Very high	93.8	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-96.7	97.7	176.5	-173.4	0	0	0	0	108.6	F97 V99 R102 Y105 R136 M142 V143	F97-V138 HydrophobicContact CE2-CB 4.24Å; F97-V138 HydrophobicContact CE2-CG1 3.91Å; F97-V138 HydrophobicContact CE2-CG2 4.41Å; V99-V138 PolarHBondContact O-N 2.79Å; R102-V138 HydrophobicContact CG-CG2 4.32Å; Y105-V138 HydrophobicContact CD1-CG1 4.25Å; Y105-V138 HydrophobicContact CD2-CG1 4.49Å; Y105-V138 HydrophobicContact CG-CG1 4.03Å; R136-V138 VanDerWaalsContact CZ-O 3.32Å; R136-V138 PolarHBondContact NE-O 3.28Å; R136-V138 PolarHBondContact NH2-O 2.9Å; V138-M142 HydrophobicContact CG1-CB 4.3Å; V138-V143 HydrophobicContact CG1-CG2 3.66Å
139	K	92.4	Very high	93.7	Very high	113 Å²	113	60 Å²	60	49%	0.491	27%	0.274	S	S	.	.			trans	-72.4	154.1	-179.3	-62	-176.3	178.7	-177.3	0	110.7	K141 M142	K139-K141 VanDerWaalsContact C-N 3.25Å; K139-K141 HydrophobicContact CB-CG 4.18Å; K139-K141 PolarHBondContact O-N 3.29Å; K139-M142 HydrophobicContact CB-CG 4.28Å; K139-M142 HydrophobicContact CB-SD 4.28Å; K139-M142 WeakPolarHBondContact O-CB 3.43Å; K139-M142 PolarHBondContact O-N 2.8Å
140	A	88.8	Confident	93.4	Very high	3 Å²	3	67 Å²	67	3%	0.025	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-47.5	-47.3	178.4	0	0	0	0	0	112.9	M142 V143 E207 I208	A140-M142 PolarHBondContact O-N 2.81Å; A140-M142 VanDerWaalsContact O-N 3.13Å; A140-V143 PolarHBondContact O-N 3.35Å; A140-E207 HydrophobicContact CB-CB 3.75Å; A140-I208 HydrophobicContact CB-CG1 3.66Å
141	K	89	Confident	93.4	Very high	142 Å²	142	65.4 Å²	65.4	62%	0.617	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-60.2	-21.7	177.7	67.4	175.8	-173.9	169.1	0	115.8	K139 V143	K139-K141 VanDerWaalsContact C-N 3.25Å; K139-K141 HydrophobicContact CB-CG 4.18Å; K139-K141 PolarHBondContact O-N 3.29Å; K141-V143 VanDerWaalsContact C-N 3.35Å
142	M	91.9	Very high	93.4	Very high	66 Å²	66	67.5 Å²	67.5	33%	0.325	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-79.9	-21.5	177.7	-60.8	175.5	68.2	0	0	111.6	R102 Y105 V138 K139 A140 T144	R102-M142 HydrophobicContact CG-CE 4.41Å; Y105-M142 WeakPolarHBondContact CE1-O 3.39Å; V138-M142 HydrophobicContact CG1-CB 4.3Å; K139-M142 HydrophobicContact CB-CG 4.28Å; K139-M142 HydrophobicContact CB-SD 4.28Å; K139-M142 WeakPolarHBondContact O-CB 3.43Å; K139-M142 PolarHBondContact O-N 2.8Å; A140-M142 PolarHBondContact O-N 2.81Å; A140-M142 VanDerWaalsContact O-N 3.13Å; M142-T144 PolarHBondContact O-N 2.69Å
143	V	94.3	Very high	93.6	Very high	7 Å²	7	66.7 Å²	66.7	4%	0.042	31%	0.309	C	S	.	.			trans	-86.7	77.9	-171.9	-168.9	0	0	0	0	110.7	F97 Y105 L126 V138 A140 K141 H146 Y153	F97-V143 HydrophobicContact CE1-CG1 4.45Å; F97-V143 HydrophobicContact CZ-CG1 4.2Å; F97-V143 HydrophobicContact CZ-CG2 4.07Å; Y105-V143 HydrophobicContact CE2-CB 4.39Å; Y105-V143 HydrophobicContact CE2-CG1 3.76Å; Y105-V143 HydrophobicContact CE2-CG2 4.43Å; Y105-V143 VanDerWaalsContact OH-CA 3.29Å; Y105-V143 WeakPolarHBondContact OH-CA 3.39Å; L126-V143 HydrophobicContact CD2-CG1 4.16Å; V138-V143 HydrophobicContact CG1-CG2 3.66Å; A140-V143 PolarHBondContact O-N 3.35Å; K141-V143 VanDerWaalsContact C-N 3.35Å; V143-H146 PolarHBondContact O-CE1 3.18Å; V143-H146 PolarHBondContact O-ND1 2.79Å; V143-Y153 HydrophobicContact CB-CE1 4.31Å; V143-Y153 HydrophobicContact CG1-CD1 4.22Å; V143-Y153 HydrophobicContact CG1-CD2 4.21Å; V143-Y153 HydrophobicContact CG1-CE1 3.87Å; V143-Y153 HydrophobicContact CG1-CE2 3.92Å; V143-Y153 HydrophobicContact CG1-CG 4.38Å
144	T	94.2	Very high	93.8	Very high	24 Å²	24	64.8 Å²	64.8	15%	0.147	30%	0.298	C	S	.	.			trans	-105.2	-18.7	-176.7	60.4	0	0	0	0	114	Y105 M142 H146 R147 K148	Y105-T144 PolarHBondContact OH-N 2.96Å; M142-T144 PolarHBondContact O-N 2.69Å; T144-H146 VanDerWaalsContact C-N 3.28Å; T144-H146 PolarHBondContact O-N 3.24Å; T144-H146 VanDerWaalsContact O-N 3.15Å; T144-R147 WeakPolarHBondContact O-CB 3.33Å; T144-R147 PolarHBondContact O-N 2.74Å; T144-K148 PolarHBondContact O-N 2.77Å
145	F	95.9	Very high	94.2	Very high	19 Å²	19	55 Å²	55	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-55.2	-38.2	-172.5	-171.8	-99.3	0	0	0	114.4	Y105 V108 P109 H112 R147 K148 K149 L151	Y105-F145 VanDerWaalsContact OH-CB 3.27Å; Y105-F145 WeakPolarHBondContact OH-CB 3.05Å; Y105-F145 PolarHBondContact OH-N 3.4Å; V108-F145 HydrophobicContact CG1-CD1 3.46Å; V108-F145 VanDerWaalsContact CG1-CD1 3.46Å; V108-F145 HydrophobicContact CG1-CE1 3.8Å; V108-F145 HydrophobicContact CG1-CG 4.04Å; P109-F145 HydrophobicContact CB-CD2 4.33Å; P109-F145 HydrophobicContact CB-CE2 3.68Å; P109-F145 HydrophobicContact CB-CZ 4.16Å; P109-F145 HydrophobicContact CG-CD2 3.81Å; P109-F145 HydrophobicContact CG-CE2 3.68Å; P109-F145 HydrophobicContact CG-CZ 4.41Å; H112-F145 HydrophobicContact CB-CE1 3.64Å; H112-F145 HydrophobicContact CB-CZ 3.63Å; H112-F145 AromaticContact CD2-CE1 3.81Å; H112-F145 AromaticContact CG-CE1 3.68Å; H112-F145 AromaticContact CG-CZ 3.63Å; H112-F145 AromaticContact ND1-CZ 3.98Å; F145-R147 VanDerWaalsContact C-N 3.26Å; F145-R147 PolarHBondContact O-N 3.38Å; F145-K148 PolarHBondContact O-N 2.89Å; F145-K149 HydrophobicContact CD1-CG 4.48Å; F145-K149 HydrophobicContact CE1-CB 4.37Å; F145-K149 HydrophobicContact CE1-CG 3.87Å; F145-K149 HydrophobicContact CE2-CG 3.96Å; F145-K149 HydrophobicContact CZ-CG 3.57Å; F145-K149 PolarHBondContact O-N 3.16Å; F145-L151 HydrophobicContact CD1-CD1 4.04Å; F145-L151 HydrophobicContact CE1-CD1 3.93Å
146	H	94.5	Very high	94.4	Very high	23 Å²	23	49.9 Å²	49.9	11%	0.106	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-35.5	178.4	69.9	-83.1	0	0	0	112.2	L126 V143 T144 N150 L151	L126-H146 HydrophobicContact CB-CB 4.49Å; L126-H146 HydrophobicContact CD2-CB 4Å; V143-H146 PolarHBondContact O-CE1 3.18Å; V143-H146 PolarHBondContact O-ND1 2.79Å; T144-H146 VanDerWaalsContact C-N 3.28Å; T144-H146 PolarHBondContact O-N 3.24Å; T144-H146 VanDerWaalsContact O-N 3.15Å; H146-N150 CarbonylContact O-C 3.52Å; H146-N150 WeakPolarHBondContact O-CA 3.38Å; H146-N150 PolarHBondContact O-N 3.45Å; H146-L151 HydrophobicContact CB-CB 4.11Å; H146-L151 PolarHBondContact O-N 3.39Å
147	R	92.7	Very high	94.5	Very high	71 Å²	71	47.6 Å²	47.6	27%	0.268	22%	0.219	S	C	.	.	H	α-helix	trans	-70.9	-44.2	175	-59.5	176	63.8	-146.8	-9.7	111	T144 F145 K149 N150 A211 A212 M214 L216	T144-R147 WeakPolarHBondContact O-CB 3.33Å; T144-R147 PolarHBondContact O-N 2.74Å; F145-R147 VanDerWaalsContact C-N 3.26Å; F145-R147 PolarHBondContact O-N 3.38Å; R147-K149 PolarHBondContact O-N 2.69Å; R147-N150 PolarHBondContact O-N 3.48Å; R147-A211 PolarHBondContact NH1-O 3.09Å; R147-A212 VanDerWaalsContact CZ-O 3.24Å; R147-A212 PolarHBondContact NE-O 3.11Å; R147-A212 PolarHBondContact NH2-O 3.01Å; R147-A212 VanDerWaalsContact NH2-O 3.09Å; R147-M214 PolarHBondContact NH1-O 3.29Å; R147-M214 PolarHBondContact NH2-O 2.71Å; R147-L216 HydrophobicContact CB-CD1 4.41Å; R147-L216 HydrophobicContact CB-CD2 3.78Å
148	K	91.9	Very high	94.4	Very high	56 Å²	56	44.2 Å²	44.2	24%	0.243	20%	0.204	C	C	.	.	H	α-helix	trans	-57.8	-31.9	177.6	-64.1	-172.4	178.6	-169.6	0	112.3	T144 F145 L216 D222	T144-K148 PolarHBondContact O-N 2.77Å; F145-K148 PolarHBondContact O-N 2.89Å; K148-L216 HydrophobicContact CG-CD1 4.11Å; K148-L216 HydrophobicContact CG-CD2 4.18Å; K148-D222 IonicContact NZ-OD2 3.26Å; K148-D222 PolarHBondContact NZ-OD2 2.94Å
149	K	94.7	Very high	94.3	Very high	106 Å²	106	47.3 Å²	47.3	46%	0.461	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	9.7	-177.2	-61.1	-58.3	-179	-166.6	0	115	F145 R147 L151	F145-K149 HydrophobicContact CD1-CG 4.48Å; F145-K149 HydrophobicContact CE1-CB 4.37Å; F145-K149 HydrophobicContact CE1-CG 3.87Å; F145-K149 HydrophobicContact CE2-CG 3.96Å; F145-K149 HydrophobicContact CZ-CG 3.57Å; F145-K149 PolarHBondContact O-N 3.16Å; R147-K149 PolarHBondContact O-N 2.69Å; K149-L151 VanDerWaalsContact C-N 3.31Å; K149-L151 HydrophobicContact CB-CD1 4.13Å; K149-L151 HydrophobicContact CB-CD2 3.84Å; K149-L151 HydrophobicContact CB-CG 3.8Å; K149-L151 VanDerWaalsContact O-CD2 3.24Å; K149-L151 WeakPolarHBondContact O-CD2 3.4Å; K149-L151 PolarHBondContact O-N 3.38Å
150	N	92.9	Very high	94.4	Very high	152 Å²	152	42.7 Å²	42.7	81%	0.813	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	44	-178.2	-166.4	32.9	0	0	0	114.1	H146 R147	H146-N150 CarbonylContact O-C 3.52Å; H146-N150 WeakPolarHBondContact O-CA 3.38Å; H146-N150 PolarHBondContact O-N 3.45Å; R147-N150 PolarHBondContact O-N 3.48Å
151	L	96.6	Very high	94.6	Very high	19 Å²	19	44.4 Å²	44.4	10%	0.099	21%	0.208	C	C	.	.			trans	-96	152.3	176.3	-37.7	178.8	0	0	0	109.7	I124 F145 H146 K149	I124-L151 HydrophobicContact CB-CD2 4.07Å; I124-L151 HydrophobicContact CG2-CD1 4.31Å; I124-L151 HydrophobicContact CG2-CD2 4.44Å; F145-L151 HydrophobicContact CD1-CD1 4.04Å; F145-L151 HydrophobicContact CE1-CD1 3.93Å; H146-L151 HydrophobicContact CB-CB 4.11Å; H146-L151 PolarHBondContact O-N 3.39Å; K149-L151 VanDerWaalsContact C-N 3.31Å; K149-L151 HydrophobicContact CB-CD1 4.13Å; K149-L151 HydrophobicContact CB-CD2 3.84Å; K149-L151 HydrophobicContact CB-CG 3.8Å; K149-L151 VanDerWaalsContact O-CD2 3.24Å; K149-L151 WeakPolarHBondContact O-CD2 3.4Å; K149-L151 PolarHBondContact O-N 3.38Å
152	Q	96.8	Very high	94.8	Very high	60 Å²	60	39.1 Å²	39.1	28%	0.28	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	138.1	167.3	-177.8	60.8	40.6	0	0	109.7	I124 V125 L126 Y154 Y170	I124-Q152 PolarHBondContact O-N 3.07Å; V125-Q152 CarbonylContact C-O 3.58Å; V125-Q152 WeakPolarHBondContact CA-O 3.05Å; V125-Q152 HydrophobicContact CG2-CB 4.32Å; L126-Q152 PolarHBondContact N-O 3.13Å; Q152-Y154 HydrophobicContact CG-CD2 4.04Å; Q152-Y154 HydrophobicContact CG-CE1 4.44Å; Q152-Y154 HydrophobicContact CG-CE2 3.41Å; Q152-Y154 VanDerWaalsContact CG-CE2 3.41Å; Q152-Y170 HydrophobicContact CB-CD1 3.83Å; Q152-Y170 HydrophobicContact CB-CD2 4.05Å; Q152-Y170 HydrophobicContact CB-CE1 3.5Å; Q152-Y170 VanDerWaalsContact CB-CE1 3.5Å; Q152-Y170 HydrophobicContact CB-CE2 3.75Å; Q152-Y170 HydrophobicContact CB-CG 4.08Å; Q152-Y170 VanDerWaalsContact CB-CZ 3.46Å; Q152-Y170 HydrophobicContact CG-CD1 4.13Å; Q152-Y170 HydrophobicContact CG-CD2 3.78Å; Q152-Y170 HydrophobicContact CG-CE1 4.24Å; Q152-Y170 HydrophobicContact CG-CE2 3.91Å; Q152-Y170 HydrophobicContact CG-CG 3.89Å
153	Y	97.4	Very high	95	Very high	14 Å²	14	37.2 Å²	37.2	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137	174.4	175	-127.2	0	0	0	111	F97 L126 V143 E155 I208	F97-Y153 AromaticContact CE1-CE2 3.75Å; F97-Y153 HydrophobicContact CE1-CE2 3.75Å; F97-Y153 AromaticContact CZ-CE2 3.89Å; F97-Y153 HydrophobicContact CZ-CE2 3.89Å; L126-Y153 HydrophobicContact CB-CD2 4.18Å; L126-Y153 HydrophobicContact CD2-CD2 4.04Å; L126-Y153 HydrophobicContact CG-CD2 3.96Å; L126-Y153 WeakPolarHBondContact O-CA 3.42Å; L126-Y153 VanDerWaalsContact O-CD2 3.31Å; L126-Y153 WeakPolarHBondContact O-CD2 3.49Å; V143-Y153 HydrophobicContact CB-CE1 4.31Å; V143-Y153 HydrophobicContact CG1-CD1 4.22Å; V143-Y153 HydrophobicContact CG1-CD2 4.21Å; V143-Y153 HydrophobicContact CG1-CE1 3.87Å; V143-Y153 HydrophobicContact CG1-CE2 3.92Å; V143-Y153 HydrophobicContact CG1-CG 4.38Å; Y153-E155 HydrophobicContact CE1-CG 4.14Å; Y153-E155 HydrophobicContact CE2-CG 4.49Å; Y153-E155 VanDerWaalsContact OH-CG 3.23Å; Y153-E155 WeakPolarHBondContact OH-CG 3.44Å; Y153-E155 PolarHBondContact OH-OE1 3.37Å; Y153-I208 HydrophobicContact CD1-CG2 4.23Å; Y153-I208 HydrophobicContact CE1-CD1 3.8Å; Y153-I208 HydrophobicContact CE1-CG1 4.28Å; Y153-I208 HydrophobicContact CE1-CG2 4.35Å
154	Y	97.3	Very high	94.9	Very high	44 Å²	44	37.1 Å²	37.1	17%	0.173	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141.3	167	-66.5	-62.5	0	0	0	111.3	V125 L126 C127 G128 Q152 K166 P167	V125-Y154 HydrophobicContact CG1-CD2 3.75Å; V125-Y154 HydrophobicContact CG1-CE2 4.33Å; L126-Y154 PolarHBondContact O-N 3.29Å; C127-Y154 WeakPolarHBondContact CA-O 3.36Å; G128-Y154 PolarHBondContact N-O 3.17Å; Q152-Y154 HydrophobicContact CG-CD2 4.04Å; Q152-Y154 HydrophobicContact CG-CE1 4.44Å; Q152-Y154 HydrophobicContact CG-CE2 3.41Å; Q152-Y154 VanDerWaalsContact CG-CE2 3.41Å; Y154-K166 HydrophobicContact CD1-CB 3.98Å; Y154-K166 HydrophobicContact CD1-CD 3.8Å; Y154-K166 HydrophobicContact CD2-CB 3.96Å; Y154-K166 HydrophobicContact CE1-CB 3.96Å; Y154-K166 HydrophobicContact CE1-CD 3.79Å; Y154-K166 HydrophobicContact CE1-CG 4.43Å; Y154-K166 HydrophobicContact CE2-CB 3.93Å; Y154-K166 WeakPolarHBondContact CE2-O 3.46Å; Y154-K166 HydrophobicContact CG-CB 3.99Å; Y154-P167 HydrophobicContact CD2-CG 4.16Å
155	E	97.2	Very high	95	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.028	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132	160	-74.1	-158.2	174.3	0	0	109.8	G128 V131 R136 Y153 Y162 N163 Q201 I204 I208	G128-E155 WeakPolarHBondContact O-CA 3.42Å; V131-E155 HydrophobicContact CG1-CB 3.87Å; V131-E155 HydrophobicContact CG1-CG 4.15Å; V131-E155 WeakPolarHBondContact CG1-OE2 3.31Å; R136-E155 IonicContact CZ-OE1 3.18Å; R136-E155 IonicContact CZ-OE2 3.06Å; R136-E155 IonicContact NH1-OE1 3.84Å; R136-E155 PolarHBondContact NH1-OE1 3.46Å; R136-E155 IonicContact NH1-OE2 2.83Å; R136-E155 PolarHBondContact NH1-OE2 3.14Å; R136-E155 IonicContact NH2-OE1 2.79Å; R136-E155 PolarHBondContact NH2-OE1 2.77Å; Y153-E155 HydrophobicContact CE1-CG 4.14Å; Y153-E155 HydrophobicContact CE2-CG 4.49Å; Y153-E155 VanDerWaalsContact OH-CG 3.23Å; Y153-E155 WeakPolarHBondContact OH-CG 3.44Å; Y153-E155 PolarHBondContact OH-OE1 3.37Å; E155-Y162 HydrophobicContact CB-CE1 4.38Å; E155-Y162 WeakPolarHBondContact O-CE1 3.33Å; E155-N163 WeakPolarHBondContact O-CB 3.23Å; E155-N163 PolarHBondContact O-ND2 3.23Å; E155-Q201 PolarHBondContact OE2-NE2 3.4Å; E155-I204 WeakPolarHBondContact OE1-CG2 3.33Å; E155-I204 WeakPolarHBondContact OE2-CG2 3.21Å; E155-I208 HydrophobicContact CG-CD1 4Å
156	I	97.2	Very high	95	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.194	C	C	.	.			trans	-135.3	160.7	-177.3	68	169.3	0	0	0	110.6	F33 M96 C127 G128 N129 K130 V131 Y162 N163 P167	F33-I156 HydrophobicContact CD2-CD1 3.93Å; F33-I156 HydrophobicContact CE2-CD1 3.85Å; F33-I156 HydrophobicContact CZ-CD1 4.41Å; M96-I156 HydrophobicContact CE-CD1 3.92Å; C127-I156 HydrophobicContact CB-CD1 3.89Å; C127-I156 HydrophobicContact CB-CG1 4.26Å; G128-I156 PolarHBondContact O-N 2.61Å; N129-I156 CarbonylContact C-O 3.58Å; N129-I156 VanDerWaalsContact CA-O 3.31Å; N129-I156 WeakPolarHBondContact CA-O 3.25Å; N129-I156 HydrophobicContact CB-CD1 4.27Å; N129-I156 HydrophobicContact CB-CG1 3.95Å; N129-I156 PolarHBondContact OD1-O 2.93Å; K130-I156 PolarHBondContact N-O 3.23Å; V131-I156 WeakPolarHBondContact CG2-O 3.47Å; V131-I156 PolarHBondContact N-O 2.93Å; I156-Y162 WeakPolarHBondContact CA-O 3.43Å; I156-N163 HydrophobicContact CG2-CB 4.08Å; I156-P167 HydrophobicContact CG2-CG 4.16Å
157	S	96.7	Very high	95.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-139.2	111.7	162.9	161.9	0	0	0	0	109.3	N129 D132 K159 S160 N161 Y162	N129-S157 WeakPolarHBondContact OD1-CA 3.19Å; D132-S157 VanDerWaalsContact CG-OG 3.26Å; D132-S157 VanDerWaalsContact OD1-CB 3.31Å; D132-S157 WeakPolarHBondContact OD1-CB 3.16Å; D132-S157 PolarHBondContact OD1-OG 2.9Å; S157-K159 PolarHBondContact O-N 2.71Å; S157-K159 PolarHBondContact OG-N 3.14Å; S157-S160 WeakPolarHBondContact CB-OG 3.44Å; S157-S160 PolarHBondContact O-N 3.01Å; S157-S160 PolarHBondContact OG-N 3.32Å; S157-S160 VanDerWaalsContact OG-N 3.08Å; S157-S160 PolarHBondContact OG-OG 3.39Å; S157-N161 WeakPolarHBondContact O-CA 3.49Å; S157-N161 PolarHBondContact O-N 2.99Å; S157-Y162 PolarHBondContact N-O 2.75Å; S157-Y162 PolarHBondContact O-N 3.08Å
158	A	94.7	Very high	95.4	Very high	3 Å²	3	37.4 Å²	37.4	3%	0.025	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.1	173.7	0	0	0	0	0	112.4	T32 F33 N129	T32-A158 HydrophobicContact CG2-CB 4.3Å; F33-A158 HydrophobicContact CB-CB 4.22Å; F33-A158 HydrophobicContact CD2-CB 4.39Å; N129-A158 PolarHBondContact OD1-N 2.78Å; N129-A158 VanDerWaalsContact OD1-N 3.12Å
159	K	94	Very high	95.7	Very high	66 Å²	66	36.3 Å²	36.3	29%	0.287	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-41.6	-180	-166.2	179.2	-168.3	-173.1	0	113	F42 D132 S157 A192 V194	F42-K159 HydrophobicContact CD1-CG 4.16Å; F42-K159 VanDerWaalsContact CD2-CA 3.49Å; F42-K159 HydrophobicContact CD2-CB 3.96Å; F42-K159 HydrophobicContact CD2-CG 4.05Å; F42-K159 HydrophobicContact CE1-CD 4.16Å; F42-K159 HydrophobicContact CE1-CG 3.89Å; F42-K159 HydrophobicContact CE2-CB 3.51Å; F42-K159 HydrophobicContact CE2-CD 4.49Å; F42-K159 HydrophobicContact CE2-CG 3.74Å; F42-K159 HydrophobicContact CG-CG 4.24Å; F42-K159 HydrophobicContact CZ-CB 3.85Å; F42-K159 HydrophobicContact CZ-CD 3.98Å; F42-K159 HydrophobicContact CZ-CG 3.67Å; D132-K159 VanDerWaalsContact OD2-CD 3.3Å; D132-K159 WeakPolarHBondContact OD2-CD 3.46Å; S157-K159 PolarHBondContact O-N 2.71Å; S157-K159 PolarHBondContact OG-N 3.14Å; K159-A192 WeakPolarHBondContact O-CB 3.45Å; K159-V194 HydrophobicContact CD-CB 4.21Å; K159-V194 HydrophobicContact CD-CG2 3.76Å; K159-V194 HydrophobicContact CG-CB 4.4Å; K159-V194 HydrophobicContact CG-CG2 4.3Å
160	S	93.2	Very high	95.9	Very high	16 Å²	16	33.4 Å²	33.4	11%	0.112	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-2.7	-176.2	64.6	0	0	0	0	114.2	S157 Y162 V194 I196	S157-S160 WeakPolarHBondContact CB-OG 3.44Å; S157-S160 PolarHBondContact O-N 3.01Å; S157-S160 PolarHBondContact OG-N 3.32Å; S157-S160 VanDerWaalsContact OG-N 3.08Å; S157-S160 PolarHBondContact OG-OG 3.39Å; S160-Y162 PolarHBondContact O-N 2.91Å; S160-Y162 WeakPolarHBondContact OG-CB 3.35Å; S160-Y162 PolarHBondContact OG-N 3.13Å; S160-V194 WeakPolarHBondContact CA-O 3.46Å; S160-V194 VanDerWaalsContact CB-O 3.26Å; S160-V194 WeakPolarHBondContact CB-O 3.31Å; S160-I196 VanDerWaalsContact OG-CD1 3.22Å; S160-I196 WeakPolarHBondContact OG-CD1 3.25Å; S160-I196 WeakPolarHBondContact OG-CG1 3.47Å
161	N	92.7	Very high	96.2	Very high	38 Å²	38	26.2 Å²	26.2	20%	0.203	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	9.2	-169.9	-51.5	-28.2	0	0	0	114.2	R36 S157 N163 F164 L189 L190	R36-N161 PolarHBondContact NE-OD1 3.28Å; R36-N161 PolarHBondContact NH2-ND2 3.42Å; R36-N161 PolarHBondContact NH2-OD1 3.49Å; S157-N161 WeakPolarHBondContact O-CA 3.49Å; S157-N161 PolarHBondContact O-N 2.99Å; N161-N163 PolarHBondContact O-N 3.46Å; N161-F164 WeakPolarHBondContact O-CB 3.36Å; N161-F164 PolarHBondContact O-N 3.44Å; N161-L189 HydrophobicContact CB-CD1 3.85Å; N161-L190 PolarHBondContact ND2-O 2.87Å
162	Y	94.6	Very high	96.2	Very high	31 Å²	31	25.3 Å²	25.3	12%	0.122	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-64.5	127.2	-178.9	174.3	-99.6	0	0	0	111.9	V131 E155 I156 S157 S160 F164 I196 Q201 E205	V131-Y162 HydrophobicContact CG2-CD1 3.64Å; V131-Y162 HydrophobicContact CG2-CE1 3.97Å; E155-Y162 HydrophobicContact CB-CE1 4.38Å; E155-Y162 WeakPolarHBondContact O-CE1 3.33Å; I156-Y162 WeakPolarHBondContact CA-O 3.43Å; S157-Y162 PolarHBondContact N-O 2.75Å; S157-Y162 PolarHBondContact O-N 3.08Å; S160-Y162 PolarHBondContact O-N 2.91Å; S160-Y162 WeakPolarHBondContact OG-CB 3.35Å; S160-Y162 PolarHBondContact OG-N 3.13Å; Y162-F164 PolarHBondContact O-N 3.29Å; Y162-F164 VanDerWaalsContact O-N 3.07Å; Y162-I196 HydrophobicContact CD2-CG1 4.19Å; Y162-I196 HydrophobicContact CG-CG1 3.84Å; Y162-Q201 HydrophobicContact CE1-CG 3.84Å; Y162-Q201 HydrophobicContact CE2-CG 3.95Å; Y162-Q201 WeakPolarHBondContact OH-CG 3.49Å; Y162-Q201 PolarHBondContact OH-NE2 3.32Å; Y162-E205 PolarHBondContact OH-OE1 2.9Å
163	N	94.7	Very high	96.3	Very high	27 Å²	27	26 Å²	26	14%	0.144	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	21.7	-177.4	-72	-20.6	0	0	0	114.9	E155 I156 N161 E165 K166 P167	E155-N163 WeakPolarHBondContact O-CB 3.23Å; E155-N163 PolarHBondContact O-ND2 3.23Å; I156-N163 HydrophobicContact CG2-CB 4.08Å; N161-N163 PolarHBondContact O-N 3.46Å; N163-E165 VanDerWaalsContact C-N 3.27Å; N163-E165 PolarHBondContact O-N 2.93Å; N163-E165 VanDerWaalsContact O-N 3.16Å; N163-K166 HydrophobicContact CB-CD 3.93Å; N163-K166 HydrophobicContact CB-CG 4.24Å; N163-K166 PolarHBondContact O-N 2.83Å; N163-K166 VanDerWaalsContact O-N 3.13Å; N163-K166 WeakPolarHBondContact OD1-CD 3.48Å; N163-K166 WeakPolarHBondContact OD1-CE 3.36Å; N163-K166 PolarHBondContact OD1-NZ 2.93Å; N163-P167 WeakPolarHBondContact O-CD 3.46Å
164	F	93.8	Very high	96.3	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.022	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.7	-169.8	-171.3	-91.8	0	0	0	113.7	F33 R36 H37 N161 Y162 L187 L189	F33-F164 AromaticContact CD2-CD2 3.66Å; F33-F164 HydrophobicContact CD2-CD2 3.66Å; F33-F164 AromaticContact CD2-CE2 3.34Å; F33-F164 HydrophobicContact CD2-CE2 3.34Å; F33-F164 HydrophobicContact CD2-CZ 4.02Å; F33-F164 HydrophobicContact CE2-CD1 4.47Å; F33-F164 AromaticContact CE2-CD2 3.54Å; F33-F164 HydrophobicContact CE2-CD2 3.54Å; F33-F164 HydrophobicContact CE2-CE1 4.49Å; F33-F164 AromaticContact CE2-CE2 3.57Å; F33-F164 HydrophobicContact CE2-CE2 3.57Å; F33-F164 HydrophobicContact CE2-CG 4.02Å; F33-F164 HydrophobicContact CE2-CZ 4.06Å; F33-F164 HydrophobicContact CG-CE2 4.21Å; F33-F164 WeakPolarHBondContact O-CZ 3.39Å; R36-F164 HydrophobicContact CB-CE2 3.91Å; R36-F164 HydrophobicContact CB-CZ 4.02Å; R36-F164 HydrophobicContact CG-CE2 3.82Å; R36-F164 HydrophobicContact CG-CZ 4.11Å; H37-F164 HydrophobicContact CB-CE1 3.76Å; H37-F164 HydrophobicContact CB-CZ 3.76Å; N161-F164 WeakPolarHBondContact O-CB 3.36Å; N161-F164 PolarHBondContact O-N 3.44Å; Y162-F164 PolarHBondContact O-N 3.29Å; Y162-F164 VanDerWaalsContact O-N 3.07Å; F164-L187 HydrophobicContact CD1-CD1 3.8Å; F164-L187 HydrophobicContact CE1-CD1 3.8Å; F164-L189 HydrophobicContact CD1-CD1 4.12Å; F164-L189 HydrophobicContact CE1-CD2 4.25Å; F164-L189 HydrophobicContact CG-CD1 4.32Å
165	E	94.7	Very high	96.3	Very high	59 Å²	59	30.2 Å²	30.2	28%	0.276	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-18	-176.9	-64.1	-171.1	107.1	0	0	114.5	N163 F168 L169 F183 L187	N163-E165 VanDerWaalsContact C-N 3.27Å; N163-E165 PolarHBondContact O-N 2.93Å; N163-E165 VanDerWaalsContact O-N 3.16Å; E165-F168 PolarHBondContact O-N 2.85Å; E165-F168 VanDerWaalsContact O-N 3.14Å; E165-L169 PolarHBondContact O-N 2.72Å; E165-F183 HydrophobicContact CB-CD2 4.11Å; E165-F183 HydrophobicContact CB-CE2 4.1Å; E165-F183 HydrophobicContact CG-CD2 4.49Å; E165-L187 HydrophobicContact CG-CD1 3.63Å; E165-L187 HydrophobicContact CG-CG 4.31Å; E165-L187 WeakPolarHBondContact OE1-CG 3.34Å
166	K	96.7	Very high	96.3	Very high	84 Å²	84	32.7 Å²	32.7	37%	0.365	15%	0.153	S	C	.	.	H	α-helix	trans	-56.7	-42.5	-173.2	-71.9	-169.8	176.7	165.4	0	113.5	Y154 N163 L169 Y170	Y154-K166 HydrophobicContact CD1-CB 3.98Å; Y154-K166 HydrophobicContact CD1-CD 3.8Å; Y154-K166 HydrophobicContact CD2-CB 3.96Å; Y154-K166 HydrophobicContact CE1-CB 3.96Å; Y154-K166 HydrophobicContact CE1-CD 3.79Å; Y154-K166 HydrophobicContact CE1-CG 4.43Å; Y154-K166 HydrophobicContact CE2-CB 3.93Å; Y154-K166 WeakPolarHBondContact CE2-O 3.46Å; Y154-K166 HydrophobicContact CG-CB 3.99Å; N163-K166 HydrophobicContact CB-CD 3.93Å; N163-K166 HydrophobicContact CB-CG 4.24Å; N163-K166 PolarHBondContact O-N 2.83Å; N163-K166 VanDerWaalsContact O-N 3.13Å; N163-K166 WeakPolarHBondContact OD1-CD 3.48Å; N163-K166 WeakPolarHBondContact OD1-CE 3.36Å; N163-K166 PolarHBondContact OD1-NZ 2.93Å; K166-L169 PolarHBondContact O-N 3.01Å; K166-Y170 WeakPolarHBondContact O-CB 3.45Å; K166-Y170 PolarHBondContact O-N 3.28Å
167	P	98.3	Very high	96.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-48.3	176	-25.2	35.7	0	0	0	112.3	F33 I94 V125 C127 Y154 I156 N163 Y170 L171	F33-P167 HydrophobicContact CZ-CG 4.48Å; I94-P167 HydrophobicContact CD1-CB 3.85Å; I94-P167 HydrophobicContact CG1-CB 4.39Å; V125-P167 HydrophobicContact CB-CB 4.46Å; V125-P167 HydrophobicContact CG1-CB 4.01Å; V125-P167 HydrophobicContact CG1-CG 4.44Å; C127-P167 VanDerWaalsContact SG-CG 3.5Å; Y154-P167 HydrophobicContact CD2-CG 4.16Å; I156-P167 HydrophobicContact CG2-CG 4.16Å; N163-P167 WeakPolarHBondContact O-CD 3.46Å; P167-Y170 PolarHBondContact O-N 3.16Å; P167-L171 VanDerWaalsContact O-CG 3.31Å; P167-L171 WeakPolarHBondContact O-CG 3.32Å; P167-L171 PolarHBondContact O-N 3.22Å
168	F	98	Very high	96.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-42	-178.9	-61.6	-73.9	0	0	0	112.1	L20 F33 L57 F59 F68 I94 E165 Y170 L171 A172 F183	L20-F168 HydrophobicContact CD2-CD1 4.11Å; L20-F168 HydrophobicContact CD2-CE1 3.56Å; F33-F168 HydrophobicContact CD1-CZ 4.34Å; F33-F168 HydrophobicContact CE1-CE1 4.48Å; F33-F168 AromaticContact CE1-CE2 3.45Å; F33-F168 HydrophobicContact CE1-CE2 3.45Å; F33-F168 VanDerWaalsContact CE1-CE2 3.45Å; F33-F168 AromaticContact CE1-CZ 3.41Å; F33-F168 HydrophobicContact CE1-CZ 3.41Å; F33-F168 VanDerWaalsContact CE1-CZ 3.41Å; F33-F168 HydrophobicContact CE2-CE2 4.29Å; F33-F168 HydrophobicContact CZ-CD2 4.14Å; F33-F168 AromaticContact CZ-CE2 3.28Å; F33-F168 HydrophobicContact CZ-CE2 3.28Å; F33-F168 AromaticContact CZ-CZ 3.8Å; F33-F168 HydrophobicContact CZ-CZ 3.8Å; L57-F168 HydrophobicContact CD1-CE1 3.71Å; L57-F168 HydrophobicContact CD1-CZ 3.76Å; F59-F168 HydrophobicContact CE1-CB 3.81Å; F59-F168 HydrophobicContact CE1-CD2 4.01Å; F59-F168 AromaticContact CE1-CG 3.94Å; F59-F168 HydrophobicContact CE1-CG 3.94Å; F59-F168 HydrophobicContact CE2-CB 4.13Å; F59-F168 AromaticContact CE2-CD1 3.85Å; F59-F168 HydrophobicContact CE2-CD1 3.85Å; F59-F168 HydrophobicContact CE2-CE1 4.34Å; F59-F168 AromaticContact CE2-CG 3.94Å; F59-F168 HydrophobicContact CE2-CG 3.94Å; F59-F168 HydrophobicContact CZ-CB 3.57Å; F59-F168 AromaticContact CZ-CD1 3.62Å; F59-F168 HydrophobicContact CZ-CD1 3.62Å; F59-F168 AromaticContact CZ-CD2 3.52Å; F59-F168 HydrophobicContact CZ-CD2 3.52Å; F59-F168 HydrophobicContact CZ-CE1 4.11Å; F59-F168 HydrophobicContact CZ-CE2 4Å; F59-F168 AromaticContact CZ-CG 3.28Å; F59-F168 HydrophobicContact CZ-CG 3.28Å; F59-F168 HydrophobicContact CZ-CZ 4.28Å; F68-F168 AromaticContact CD2-CD1 3.89Å; F68-F168 HydrophobicContact CD2-CD1 3.89Å; F68-F168 HydrophobicContact CE2-CB 4.14Å; F68-F168 HydrophobicContact CE2-CD1 4.16Å; F68-F168 HydrophobicContact CG-CD1 4.36Å; I94-F168 HydrophobicContact CD1-CE1 4.38Å; E165-F168 PolarHBondContact O-N 2.85Å; E165-F168 VanDerWaalsContact O-N 3.14Å; F168-Y170 PolarHBondContact O-N 3.35Å; F168-L171 PolarHBondContact O-N 2.85Å; F168-A172 VanDerWaalsContact O-CB 3.31Å; F168-A172 WeakPolarHBondContact O-CB 3.19Å; F168-A172 PolarHBondContact O-N 2.79Å; F168-F183 HydrophobicContact CB-CE2 4.11Å; F168-F183 HydrophobicContact CB-CZ 3.95Å
169	L	97.9	Very high	96.3	Very high	33 Å²	33	41.5 Å²	41.5	17%	0.173	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-42.9	179.1	-178	58.4	0	0	0	111.7	E165 K166 A172 R173 L181 F183	E165-L169 PolarHBondContact O-N 2.72Å; K166-L169 PolarHBondContact O-N 3.01Å; L169-A172 PolarHBondContact O-N 3.05Å; L169-R173 HydrophobicContact CD1-CG 4.48Å; L169-R173 WeakPolarHBondContact O-CB 3.46Å; L169-R173 VanDerWaalsContact O-CG 3.25Å; L169-R173 WeakPolarHBondContact O-CG 3.33Å; L169-R173 PolarHBondContact O-N 3.07Å; L169-L181 HydrophobicContact CD1-CD2 3.81Å; L169-F183 HydrophobicContact CB-CD2 4.23Å; L169-F183 HydrophobicContact CB-CE2 3.7Å; L169-F183 HydrophobicContact CB-CZ 3.94Å; L169-F183 HydrophobicContact CD1-CD1 4.08Å; L169-F183 HydrophobicContact CD1-CD2 4.37Å; L169-F183 HydrophobicContact CD1-CE1 4.04Å; L169-F183 HydrophobicContact CD1-CE2 4.34Å; L169-F183 HydrophobicContact CD1-CG 4.24Å; L169-F183 HydrophobicContact CD1-CZ 4.18Å
170	Y	98.4	Very high	96.5	Very high	45 Å²	45	44.5 Å²	44.5	18%	0.176	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-47.1	174.8	174	-92.5	0	0	0	111.6	V125 Q152 K166 P167 F168 R173 K174	V125-Y170 HydrophobicContact CG2-CD1 3.45Å; V125-Y170 VanDerWaalsContact CG2-CD1 3.45Å; V125-Y170 HydrophobicContact CG2-CE1 4.02Å; V125-Y170 HydrophobicContact CG2-CG 4.33Å; Q152-Y170 HydrophobicContact CB-CD1 3.83Å; Q152-Y170 HydrophobicContact CB-CD2 4.05Å; Q152-Y170 HydrophobicContact CB-CE1 3.5Å; Q152-Y170 VanDerWaalsContact CB-CE1 3.5Å; Q152-Y170 HydrophobicContact CB-CE2 3.75Å; Q152-Y170 HydrophobicContact CB-CG 4.08Å; Q152-Y170 VanDerWaalsContact CB-CZ 3.46Å; Q152-Y170 HydrophobicContact CG-CD1 4.13Å; Q152-Y170 HydrophobicContact CG-CD2 3.78Å; Q152-Y170 HydrophobicContact CG-CE1 4.24Å; Q152-Y170 HydrophobicContact CG-CE2 3.91Å; Q152-Y170 HydrophobicContact CG-CG 3.89Å; K166-Y170 WeakPolarHBondContact O-CB 3.45Å; K166-Y170 PolarHBondContact O-N 3.28Å; P167-Y170 PolarHBondContact O-N 3.16Å; F168-Y170 PolarHBondContact O-N 3.35Å; Y170-R173 PolarHBondContact O-N 3.29Å; Y170-K174 HydrophobicContact CD1-CG 4.32Å; Y170-K174 HydrophobicContact CE1-CG 3.84Å; Y170-K174 HydrophobicContact CE2-CG 4.21Å; Y170-K174 WeakPolarHBondContact O-CG 3.3Å; Y170-K174 PolarHBondContact O-N 3.31Å; Y170-K174 WeakPolarHBondContact OH-CE 3.47Å
171	L	98.6	Very high	96.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-44	178.5	-70.1	177.7	0	0	0	111.5	L20 F68 C92 I94 P123 V125 P167 F168 R173 K174 L175	L20-L171 HydrophobicContact CD1-CD1 3.67Å; F68-L171 HydrophobicContact CE1-CB 4.02Å; F68-L171 HydrophobicContact CZ-CB 3.89Å; C92-L171 HydrophobicContact CB-CD1 4.15Å; C92-L171 HydrophobicContact CB-CD2 3.82Å; C92-L171 HydrophobicContact CB-CG 4.41Å; I94-L171 HydrophobicContact CD1-CD1 4.27Å; I94-L171 HydrophobicContact CG1-CD1 3.96Å; P123-L171 HydrophobicContact CB-CD2 3.88Å; P123-L171 HydrophobicContact CG-CD2 4.21Å; P123-L171 WeakPolarHBondContact O-CD2 3.2Å; V125-L171 HydrophobicContact CG2-CD1 4.25Å; V125-L171 HydrophobicContact CG2-CD2 3.76Å; V125-L171 HydrophobicContact CG2-CG 3.74Å; P167-L171 VanDerWaalsContact O-CG 3.31Å; P167-L171 WeakPolarHBondContact O-CG 3.32Å; P167-L171 PolarHBondContact O-N 3.22Å; F168-L171 PolarHBondContact O-N 2.85Å; L171-R173 VanDerWaalsContact C-N 3.34Å; L171-R173 PolarHBondContact O-N 2.88Å; L171-K174 PolarHBondContact O-N 3.41Å; L171-L175 WeakPolarHBondContact O-CB 3.46Å; L171-L175 WeakPolarHBondContact O-CD1 3.44Å; L171-L175 WeakPolarHBondContact O-CG 3.23Å; L171-L175 PolarHBondContact O-N 3.17Å
172	A	98.2	Very high	96.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.6	-47.7	178.1	0	0	0	0	0	110.6	F68 F168 L169 K174 L175 T176 L181 F183	F68-A172 HydrophobicContact CE2-CB 4.32Å; F68-A172 HydrophobicContact CZ-CB 4.07Å; F168-A172 VanDerWaalsContact O-CB 3.31Å; F168-A172 WeakPolarHBondContact O-CB 3.19Å; F168-A172 PolarHBondContact O-N 2.79Å; L169-A172 PolarHBondContact O-N 3.05Å; A172-K174 PolarHBondContact O-N 2.85Å; A172-L175 PolarHBondContact O-N 3.25Å; A172-T176 WeakPolarHBondContact O-CB 3.3Å; A172-T176 VanDerWaalsContact O-CG2 3.31Å; A172-T176 WeakPolarHBondContact O-CG2 3.28Å; A172-T176 PolarHBondContact O-N 2.78Å; A172-T176 PolarHBondContact O-OG1 3.01Å; A172-L181 HydrophobicContact CB-CD2 3.94Å; A172-F183 HydrophobicContact CB-CE1 4.4Å
173	R	98.4	Very high	96.9	Very high	76 Å²	76	49.7 Å²	49.7	29%	0.287	25%	0.246	S	C	.	.	H	α-helix	trans	-56.6	-47.6	174.8	-72.7	171.9	173.6	170.3	-2.5	112.1	L169 Y170 L171 G177 D178 M179 L181	L169-R173 HydrophobicContact CD1-CG 4.48Å; L169-R173 WeakPolarHBondContact O-CB 3.46Å; L169-R173 VanDerWaalsContact O-CG 3.25Å; L169-R173 WeakPolarHBondContact O-CG 3.33Å; L169-R173 PolarHBondContact O-N 3.07Å; Y170-R173 PolarHBondContact O-N 3.29Å; L171-R173 VanDerWaalsContact C-N 3.34Å; L171-R173 PolarHBondContact O-N 2.88Å; R173-G177 WeakPolarHBondContact O-CA 3.33Å; R173-G177 PolarHBondContact O-N 3.48Å; R173-D178 WeakPolarHBondContact CG-O 3.38Å; R173-D178 PolarHBondContact O-N 2.73Å; R173-M179 HydrophobicContact CB-CE 3.69Å; R173-M179 HydrophobicContact CB-SD 4.17Å; R173-M179 PolarHBondContact NE-O 3.32Å; R173-M179 WeakPolarHBondContact O-CE 3.41Å; R173-L181 HydrophobicContact CG-CB 4.05Å; R173-L181 VanDerWaalsContact CZ-O 3.3Å; R173-L181 PolarHBondContact NE-O 3.39Å; R173-L181 PolarHBondContact NH2-O 3.02Å
174	K	97.9	Very high	97	Very high	105 Å²	105	52.1 Å²	52.1	46%	0.457	26%	0.262	S	S	.	.	H	α-helix	trans	-64.1	-41.1	-179.7	-76.3	-65.2	-171.4	179.5	0	112.5	P123 Y170 L171 A172 M179	P123-K174 HydrophobicContact CB-CB 3.9Å; P123-K174 HydrophobicContact CB-CG 4.28Å; P123-K174 HydrophobicContact CG-CB 4.19Å; Y170-K174 HydrophobicContact CD1-CG 4.32Å; Y170-K174 HydrophobicContact CE1-CG 3.84Å; Y170-K174 HydrophobicContact CE2-CG 4.21Å; Y170-K174 WeakPolarHBondContact O-CG 3.3Å; Y170-K174 PolarHBondContact O-N 3.31Å; Y170-K174 WeakPolarHBondContact OH-CE 3.47Å; L171-K174 PolarHBondContact O-N 3.41Å; A172-K174 PolarHBondContact O-N 2.85Å; K174-M179 HydrophobicContact CD-CE 4.37Å
175	L	97.3	Very high	96.8	Very high	41 Å²	41	57.2 Å²	57.2	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-75.8	-33.3	-177.2	-67.6	167.1	0	0	0	112.9	F18 F68 H91 C92 P123 L171 A172	F18-L175 HydrophobicContact CB-CD1 3.9Å; F18-L175 HydrophobicContact CD1-CB 4.25Å; F18-L175 HydrophobicContact CD1-CD1 4.01Å; F18-L175 HydrophobicContact CD1-CD2 4.32Å; F18-L175 HydrophobicContact CD1-CG 4.44Å; F18-L175 HydrophobicContact CD2-CB 4.4Å; F18-L175 HydrophobicContact CD2-CD1 3.89Å; F18-L175 HydrophobicContact CE1-CB 3.93Å; F18-L175 HydrophobicContact CE2-CB 4.08Å; F18-L175 HydrophobicContact CE2-CD1 4.39Å; F18-L175 HydrophobicContact CG-CB 4.47Å; F18-L175 HydrophobicContact CG-CD1 3.67Å; F18-L175 HydrophobicContact CZ-CB 3.84Å; F68-L175 HydrophobicContact CE1-CD1 3.69Å; F68-L175 HydrophobicContact CZ-CD1 4.34Å; H91-L175 HydrophobicContact CB-CD2 4.25Å; H91-L175 WeakPolarHBondContact O-CD2 3.19Å; C92-L175 HydrophobicContact CB-CD1 4Å; C92-L175 HydrophobicContact CB-CD2 4.42Å; P123-L175 HydrophobicContact CG-CD2 3.79Å; P123-L175 HydrophobicContact CG-CG 4.12Å; L171-L175 WeakPolarHBondContact O-CB 3.46Å; L171-L175 WeakPolarHBondContact O-CD1 3.44Å; L171-L175 WeakPolarHBondContact O-CG 3.23Å; L171-L175 PolarHBondContact O-N 3.17Å; A172-L175 PolarHBondContact O-N 3.25Å
176	T	96.1	Very high	96	Very high	57 Å²	57	63.1 Å²	63.1	35%	0.35	31%	0.314	S	S	.	.	H	α-helix	trans	-87.5	-14.5	177	63.9	0	0	0	0	113.2	A172 D178 L181	A172-T176 WeakPolarHBondContact O-CB 3.3Å; A172-T176 VanDerWaalsContact O-CG2 3.31Å; A172-T176 WeakPolarHBondContact O-CG2 3.28Å; A172-T176 PolarHBondContact O-N 2.78Å; A172-T176 PolarHBondContact O-OG1 3.01Å; T176-D178 PolarHBondContact O-N 2.91Å; T176-D178 PolarHBondContact OG1-N 3.35Å; T176-L181 HydrophobicContact CG2-CD1 4.06Å
177	G	96.8	Very high	95.2	Very high	61 Å²	61	60.7 Å²	60.7	63%	0.629	31%	0.305	S	S	*	.	S	Bend	trans	72.6	3.3	-172.9	0	0	0	0	0	114.3	R173	R173-G177 WeakPolarHBondContact O-CA 3.33Å; R173-G177 PolarHBondContact O-N 3.48Å
178	D	96.8	Very high	94.6	Very high	32 Å²	32	65.2 Å²	65.2	17%	0.171	34%	0.342	C	S	.	.			trans	-102.1	99.5	179.7	-174.5	-3.6	0	0	0	110.7	R63 R173 T176 N180 L181	R63-D178 IonicContact CZ-OD2 2.67Å; R63-D178 VanDerWaalsContact CZ-OD2 3.26Å; R63-D178 IonicContact NE-OD2 3.36Å; R63-D178 PolarHBondContact NE-OD2 2.82Å; R63-D178 IonicContact NH2-OD2 3.73Å; R63-D178 PolarHBondContact NH2-OD2 2.7Å; R173-D178 WeakPolarHBondContact CG-O 3.38Å; R173-D178 PolarHBondContact O-N 2.73Å; T176-D178 PolarHBondContact O-N 2.91Å; T176-D178 PolarHBondContact OG1-N 3.35Å; D178-N180 PolarHBondContact O-N 2.95Å; D178-N180 WeakPolarHBondContact OD1-CA 3.32Å; D178-N180 WeakPolarHBondContact OD1-CB 2.94Å; D178-N180 PolarHBondContact OD1-N 3.13Å; D178-L181 HydrophobicContact CB-CB 4.22Å; D178-L181 WeakPolarHBondContact O-CB 3.31Å; D178-L181 PolarHBondContact O-N 3.19Å; D178-L181 PolarHBondContact OD1-N 2.64Å
179	M	95.1	Very high	93.8	Very high	95 Å²	95	67.2 Å²	67.2	47%	0.468	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.7	177.3	-64.5	-58.4	104.8	0	0	113.4	R173 K174 L181	R173-M179 HydrophobicContact CB-CE 3.69Å; R173-M179 HydrophobicContact CB-SD 4.17Å; R173-M179 PolarHBondContact NE-O 3.32Å; R173-M179 WeakPolarHBondContact O-CE 3.41Å; K174-M179 HydrophobicContact CD-CE 4.37Å; M179-L181 VanDerWaalsContact C-N 3.32Å
180	N	97.3	Very high	93.2	Very high	129 Å²	129	69.6 Å²	69.6	69%	0.69	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.9	176.7	-61.5	-48.1	0	0	0	112.5	D178 R182	D178-N180 PolarHBondContact O-N 2.95Å; D178-N180 WeakPolarHBondContact OD1-CA 3.32Å; D178-N180 WeakPolarHBondContact OD1-CB 2.94Å; D178-N180 PolarHBondContact OD1-N 3.13Å; N180-R182 PolarHBondContact O-N 2.6Å
181	L	97.6	Very high	92.4	Very high	1 Å²	1	72.7 Å²	72.7	1%	0.005	39%	0.391	C	S	.	.			trans	-57.5	133.8	174.7	-173.4	145.1	0	0	0	109.7	T61 R63 L169 A172 R173 T176 D178 M179 F183	T61-L181 HydrophobicContact CG2-CD1 4.29Å; T61-L181 HydrophobicContact CG2-CD2 3.93Å; T61-L181 HydrophobicContact CG2-CG 4.34Å; R63-L181 HydrophobicContact CB-CD1 4.49Å; R63-L181 HydrophobicContact CG-CD1 4.34Å; L169-L181 HydrophobicContact CD1-CD2 3.81Å; A172-L181 HydrophobicContact CB-CD2 3.94Å; R173-L181 HydrophobicContact CG-CB 4.05Å; R173-L181 VanDerWaalsContact CZ-O 3.3Å; R173-L181 PolarHBondContact NE-O 3.39Å; R173-L181 PolarHBondContact NH2-O 3.02Å; T176-L181 HydrophobicContact CG2-CD1 4.06Å; D178-L181 HydrophobicContact CB-CB 4.22Å; D178-L181 WeakPolarHBondContact O-CB 3.31Å; D178-L181 PolarHBondContact O-N 3.19Å; D178-L181 PolarHBondContact OD1-N 2.64Å; M179-L181 VanDerWaalsContact C-N 3.32Å; L181-F183 HydrophobicContact CD2-CE1 4.46Å
182	R	96.9	Very high	91.7	Very high	162 Å²	162	74.3 Å²	74.3	61%	0.611	40%	0.404	S	S	*	.			trans	-132.5	147.9	176.6	58.7	179.1	-178.5	-175.5	0.7	109.6	T61 S62 N180 V184	T61-R182 CarbonylContact C-O 3.58Å; T61-R182 WeakPolarHBondContact CA-O 3.28Å; T61-R182 WeakPolarHBondContact CB-O 3Å; S62-R182 PolarHBondContact N-O 3.26Å; S62-R182 PolarHBondContact OG-N 3.16Å; N180-R182 PolarHBondContact O-N 2.6Å; R182-V184 HydrophobicContact CG-CG1 4.26Å
183	F	96	Very high	90.9	Very high	31 Å²	31	79.5 Å²	79.5	14%	0.136	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-71.1	139.6	163.7	-60.6	-28.6	0	0	0	109	F59 H60 T61 E165 F168 L169 A172 L181	F59-F183 HydrophobicContact CB-CD1 4Å; F59-F183 HydrophobicContact CB-CE1 3.62Å; F59-F183 HydrophobicContact CB-CZ 4.04Å; F59-F183 HydrophobicContact CD1-CD1 4.28Å; F59-F183 AromaticContact CD1-CD2 3.93Å; F59-F183 HydrophobicContact CD1-CD2 3.93Å; F59-F183 AromaticContact CD1-CE1 3.84Å; F59-F183 HydrophobicContact CD1-CE1 3.84Å; F59-F183 AromaticContact CD1-CE2 3.43Å; F59-F183 HydrophobicContact CD1-CE2 3.43Å; F59-F183 VanDerWaalsContact CD1-CE2 3.43Å; F59-F183 HydrophobicContact CD1-CG 4.34Å; F59-F183 AromaticContact CD1-CZ 3.38Å; F59-F183 HydrophobicContact CD1-CZ 3.38Å; F59-F183 HydrophobicContact CE1-CD2 4.45Å; F59-F183 AromaticContact CE1-CE2 3.74Å; F59-F183 HydrophobicContact CE1-CE2 3.74Å; F59-F183 AromaticContact CE1-CZ 3.92Å; F59-F183 HydrophobicContact CE1-CZ 3.92Å; F59-F183 AromaticContact CG-CE1 3.91Å; F59-F183 HydrophobicContact CG-CE1 3.91Å; F59-F183 HydrophobicContact CG-CE2 4.29Å; F59-F183 AromaticContact CG-CZ 3.77Å; F59-F183 HydrophobicContact CG-CZ 3.77Å; H60-F183 WeakPolarHBondContact O-CA 3.22Å; T61-F183 HydrophobicContact CG2-CD1 3.97Å; T61-F183 HydrophobicContact CG2-CE1 4.08Å; E165-F183 HydrophobicContact CB-CD2 4.11Å; E165-F183 HydrophobicContact CB-CE2 4.1Å; E165-F183 HydrophobicContact CG-CD2 4.49Å; F168-F183 HydrophobicContact CB-CE2 4.11Å; F168-F183 HydrophobicContact CB-CZ 3.95Å; L169-F183 HydrophobicContact CB-CD2 4.23Å; L169-F183 HydrophobicContact CB-CE2 3.7Å; L169-F183 HydrophobicContact CB-CZ 3.94Å; L169-F183 HydrophobicContact CD1-CD1 4.08Å; L169-F183 HydrophobicContact CD1-CD2 4.37Å; L169-F183 HydrophobicContact CD1-CE1 4.04Å; L169-F183 HydrophobicContact CD1-CE2 4.34Å; L169-F183 HydrophobicContact CD1-CG 4.24Å; L169-F183 HydrophobicContact CD1-CZ 4.18Å; A172-F183 HydrophobicContact CB-CE1 4.4Å; L181-F183 HydrophobicContact CD2-CE1 4.46Å
184	V	96	Very high	90.4	Very high	79 Å²	79	77.9 Å²	77.9	48%	0.479	43%	0.43	S	S	.	.			trans	-115.1	-9.5	-174.8	-64.1	0	0	0	0	113	H60 R182	H60-V184 HydrophobicContact CB-CG2 4Å; H60-V184 PolarHBondContact O-N 2.81Å; R182-V184 HydrophobicContact CG-CG1 4.26Å
185	E	88.7	Confident	89.7	Confident	111 Å²	111	78.8 Å²	78.8	52%	0.519	45%	0.445	S	S	.	.	S	Bend	trans	-121.9	139.1	171.9	-69.9	179.5	-171	0	0	108.5	H60	H60-E185 HydrophobicContact CB-CB 4.19Å; H60-E185 HydrophobicContact CB-CG 3.99Å; H60-E185 IonicContact CE1-OE2 3.96Å; H60-E185 PolarHBondContact CE1-OE2 2.84Å; H60-E185 IonicContact CG-OE1 2.67Å; H60-E185 IonicContact CG-OE2 2.7Å; H60-E185 VanDerWaalsContact ND1-CD 3.32Å; H60-E185 IonicContact ND1-OE1 2.99Å; H60-E185 IonicContact ND1-OE2 2.93Å; H60-E185 PolarHBondContact ND1-OE2 3.34Å
186	E	79.2	Confident	89.3	Confident	184 Å²	184	78 Å²	78	86%	0.86	44%	0.44	S	S	*	.			trans	-73.8	139.4	169.3	-70.1	-175.6	171	0	0	109.5	A188	E186-A188 PolarHBondContact O-N 2.78Å
187	L	80.5	Confident	89	Confident	33 Å²	33	80.1 Å²	80.1	17%	0.173	45%	0.449	C	S	.	.			trans	-61.6	137.4	169.5	-64.6	174.2	0	0	0	109.8	H37 F59 F164 E165 L189	H37-L187 WeakPolarHBondContact CE1-CD2 3.48Å; H37-L187 VanDerWaalsContact ND1-CD1 3.3Å; H37-L187 WeakPolarHBondContact ND1-CD1 3.2Å; F59-L187 HydrophobicContact CD1-CD2 4.45Å; F59-L187 HydrophobicContact CE1-CD1 4.25Å; F59-L187 HydrophobicContact CE1-CD2 4.34Å; F164-L187 HydrophobicContact CD1-CD1 3.8Å; F164-L187 HydrophobicContact CE1-CD1 3.8Å; E165-L187 HydrophobicContact CG-CD1 3.63Å; E165-L187 HydrophobicContact CG-CG 4.31Å; E165-L187 WeakPolarHBondContact OE1-CG 3.34Å; L187-L189 HydrophobicContact CB-CD1 4.33Å; L187-L189 HydrophobicContact CB-CD2 4.1Å; L187-L189 HydrophobicContact CB-CG 3.79Å; L187-L189 PolarHBondContact O-N 3.49Å
188	A	84.1	Confident	88.6	Confident	95 Å²	95	82.4 Å²	82.4	79%	0.785	45%	0.447	S	S	*	.			trans	-71.7	58.9	175.1	0	0	0	0	0	111.6	G40 E186	G40-A188 WeakPolarHBondContact CA-O 3.41Å; E186-A188 PolarHBondContact O-N 2.78Å
189	L	82.5	Confident	88.3	Confident	42 Å²	42	87.3 Å²	87.3	22%	0.22	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-77.6	132.1	177.5	-58	179.8	0	0	0	109.1	R36 N161 F164 L187	R36-L189 HydrophobicContact CG-CD2 4.21Å; R36-L189 WeakPolarHBondContact O-CD2 3.05Å; N161-L189 HydrophobicContact CB-CD1 3.85Å; F164-L189 HydrophobicContact CD1-CD1 4.12Å; F164-L189 HydrophobicContact CE1-CD2 4.25Å; F164-L189 HydrophobicContact CG-CD1 4.32Å; L187-L189 HydrophobicContact CB-CD1 4.33Å; L187-L189 HydrophobicContact CB-CD2 4.1Å; L187-L189 HydrophobicContact CB-CG 3.79Å; L187-L189 PolarHBondContact O-N 3.49Å
190	L	84.2	Confident	88	Confident	82 Å²	82	84.9 Å²	84.9	43%	0.429	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-65.4	153	169.5	-62.5	-179.6	0	0	0	109.7	R36 G40 E41 N161 A192	R36-L190 PolarHBondContact NH2-O 3.44Å; G40-L190 VanDerWaalsContact O-CB 3.25Å; G40-L190 WeakPolarHBondContact O-CB 3.26Å; G40-L190 WeakPolarHBondContact O-CG 3.31Å; G40-L190 PolarHBondContact O-N 2.98Å; E41-L190 HydrophobicContact CB-CD1 4.37Å; E41-L190 HydrophobicContact CG-CD1 3.42Å; E41-L190 VanDerWaalsContact CG-CD1 3.42Å; N161-L190 PolarHBondContact ND2-O 2.87Å; L190-A192 PolarHBondContact O-N 3.37Å
191	P	83.3	Confident	87.7	Confident	111 Å²	111	79 Å²	79	72%	0.721	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-48.3	140.9	173.1	-27.5	35.1	0	0	0	111.4	R36	R36-P191 PolarHBondContact NH2-O 3.22Å
192	A	83.7	Confident	87.4	Confident	34 Å²	34	84.7 Å²	84.7	28%	0.281	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-77.2	136.2	177.1	0	0	0	0	0	111.1	K159 L190 V194	K159-A192 WeakPolarHBondContact O-CB 3.45Å; L190-A192 PolarHBondContact O-N 3.37Å; A192-V194 WeakPolarHBondContact CB-O 3.45Å; A192-V194 PolarHBondContact O-N 3.08Å
193	D	80.8	Confident	87.2	Confident	108 Å²	108	83.5 Å²	83.5	58%	0.578	46%	0.461	S	S	*	.	S	Bend	trans	-68.7	-11.9	172.2	-72.6	-7.2	0	0	0	112.5	K44	K44-D193 WeakPolarHBondContact CE-OD2 3.21Å; K44-D193 IonicContact NZ-OD2 2.77Å; K44-D193 PolarHBondContact NZ-OD2 2.83Å
194	V	86.7	Confident	86.9	Confident	42 Å²	42	83.4 Å²	83.4	26%	0.255	46%	0.461	S	S	.	.	S	Bend	trans	-138.6	135.9	-176.4	-178.4	0	0	0	0	109.9	D132 K159 S160 A192	D132-V194 HydrophobicContact CB-CG1 4.14Å; K159-V194 HydrophobicContact CD-CB 4.21Å; K159-V194 HydrophobicContact CD-CG2 3.76Å; K159-V194 HydrophobicContact CG-CB 4.4Å; K159-V194 HydrophobicContact CG-CG2 4.3Å; S160-V194 WeakPolarHBondContact CA-O 3.46Å; S160-V194 VanDerWaalsContact CB-O 3.26Å; S160-V194 WeakPolarHBondContact CB-O 3.31Å; A192-V194 WeakPolarHBondContact CB-O 3.45Å; A192-V194 PolarHBondContact O-N 3.08Å
195	T	84.8	Confident	86.7	Confident	125 Å²	125	83.3 Å²	83.3	77%	0.767	46%	0.456	S	S	*	.			trans	-94.7	144.4	172.4	51.3	0	0	0	0	110.8
196	I	87.9	Confident	86.8	Confident	24 Å²	24	82.6 Å²	82.6	12%	0.123	46%	0.459	C	S	.	.			trans	-74.2	137.5	167.9	-66.7	-56.7	0	0	0	109.2	V131 D132 S160 Y162 L198 Q201	V131-I196 HydrophobicContact CG2-CD1 4.02Å; D132-I196 HydrophobicContact CB-CD1 3.55Å; S160-I196 VanDerWaalsContact OG-CD1 3.22Å; S160-I196 WeakPolarHBondContact OG-CD1 3.25Å; S160-I196 WeakPolarHBondContact OG-CG1 3.47Å; Y162-I196 HydrophobicContact CD2-CG1 4.19Å; Y162-I196 HydrophobicContact CG-CG1 3.84Å; I196-L198 HydrophobicContact CG2-CD2 4.32Å; I196-L198 PolarHBondContact O-N 3.37Å; I196-Q201 HydrophobicContact CG2-CB 3.71Å; I196-Q201 HydrophobicContact CG2-CG 4.03Å
197	D	90	Very high	87.4	Confident	101 Å²	101	77.9 Å²	77.9	54%	0.54	44%	0.437	S	S	.	.			trans	-69.7	94.7	162.2	-177.3	-20	0	0	0	108.8	I199 A200 Q201	D197-I199 PolarHBondContact O-N 3.38Å; D197-I199 PolarHBondContact OD1-N 3.21Å; D197-I199 VanDerWaalsContact OD1-N 3.13Å; D197-A200 HydrophobicContact CB-CB 3.96Å; D197-A200 VanDerWaalsContact CG-CB 3.49Å; D197-A200 PolarHBondContact O-N 2.99Å; D197-A200 PolarHBondContact OD1-N 3.33Å; D197-Q201 VanDerWaalsContact O-CB 3.31Å; D197-Q201 WeakPolarHBondContact O-CB 3.4Å; D197-Q201 PolarHBondContact O-N 2.85Å
198	L	87.9	Confident	87.7	Confident	110 Å²	110	77.8 Å²	77.8	58%	0.576	44%	0.436	S	S	*	.	H	α-helix	trans	-61.6	-30.9	-175.8	-66.1	175.8	0	0	0	112.6	I196 Q201 Q202	I196-L198 HydrophobicContact CG2-CD2 4.32Å; I196-L198 PolarHBondContact O-N 3.37Å; L198-Q201 PolarHBondContact O-N 3.47Å; L198-Q202 WeakPolarHBondContact O-CB 3.12Å; L198-Q202 VanDerWaalsContact O-CG 3.25Å; L198-Q202 WeakPolarHBondContact O-CG 3.25Å; L198-Q202 PolarHBondContact O-N 3Å
199	I	91.2	Very high	87.9	Confident	135 Å²	135	76.3 Å²	76.3	69%	0.692	43%	0.425	S	S	*	.	H	α-helix	trans	-71.3	-48.7	179.9	-62.1	175.1	0	0	0	109.3	D197 Q201 Q202 K203	D197-I199 PolarHBondContact O-N 3.38Å; D197-I199 PolarHBondContact OD1-N 3.21Å; D197-I199 VanDerWaalsContact OD1-N 3.13Å; I199-Q201 VanDerWaalsContact C-N 3.26Å; I199-Q201 PolarHBondContact O-N 3.12Å; I199-Q202 PolarHBondContact O-N 2.64Å; I199-K203 PolarHBondContact O-N 2.93Å; I199-K203 VanDerWaalsContact O-N 3.14Å
200	A	89.5	Confident	88.1	Confident	44 Å²	44	77.1 Å²	77.1	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-60.2	-40.3	175.3	0	0	0	0	0	111.4	D197 K203 I204	D197-A200 HydrophobicContact CB-CB 3.96Å; D197-A200 VanDerWaalsContact CG-CB 3.49Å; D197-A200 PolarHBondContact O-N 2.99Å; D197-A200 PolarHBondContact OD1-N 3.33Å; A200-K203 WeakPolarHBondContact O-CB 3.35Å; A200-K203 PolarHBondContact O-N 3.15Å; A200-I204 WeakPolarHBondContact O-CG1 3.35Å; A200-I204 PolarHBondContact O-N 3.2Å; A200-I204 VanDerWaalsContact O-N 3.11Å
201	Q	90.5	Very high	88.1	Confident	5 Å²	5	74 Å²	74	2%	0.023	42%	0.423	C	S	.	.	H	α-helix	trans	-70.1	-39.5	-179.2	-168.3	60.1	27.4	0	0	112.9	E155 Y162 I196 D197 L198 I199 K203 I204 E205	E155-Q201 PolarHBondContact OE2-NE2 3.4Å; Y162-Q201 HydrophobicContact CE1-CG 3.84Å; Y162-Q201 HydrophobicContact CE2-CG 3.95Å; Y162-Q201 WeakPolarHBondContact OH-CG 3.49Å; Y162-Q201 PolarHBondContact OH-NE2 3.32Å; I196-Q201 HydrophobicContact CG2-CB 3.71Å; I196-Q201 HydrophobicContact CG2-CG 4.03Å; D197-Q201 VanDerWaalsContact O-CB 3.31Å; D197-Q201 WeakPolarHBondContact O-CB 3.4Å; D197-Q201 PolarHBondContact O-N 2.85Å; L198-Q201 PolarHBondContact O-N 3.47Å; I199-Q201 VanDerWaalsContact C-N 3.26Å; I199-Q201 PolarHBondContact O-N 3.12Å; Q201-K203 VanDerWaalsContact C-N 3.29Å; Q201-K203 PolarHBondContact O-N 2.95Å; Q201-I204 WeakPolarHBondContact O-CB 3.37Å; Q201-I204 PolarHBondContact O-N 2.87Å; Q201-E205 WeakPolarHBondContact O-CG 3.32Å; Q201-E205 PolarHBondContact O-N 3.03Å
202	Q	91.3	Very high	87.9	Confident	121 Å²	121	71 Å²	71	57%	0.565	41%	0.408	S	S	*	.	H	α-helix	trans	-61.8	-38	173.1	-80.8	175.1	-5.8	0	0	112.1	L198 I199 I204 E205 T206	L198-Q202 WeakPolarHBondContact O-CB 3.12Å; L198-Q202 VanDerWaalsContact O-CG 3.25Å; L198-Q202 WeakPolarHBondContact O-CG 3.25Å; L198-Q202 PolarHBondContact O-N 3Å; I199-Q202 PolarHBondContact O-N 2.64Å; Q202-I204 VanDerWaalsContact C-N 3.34Å; Q202-E205 PolarHBondContact O-N 3.38Å; Q202-T206 WeakPolarHBondContact O-CB 3.13Å; Q202-T206 PolarHBondContact O-N 3.39Å; Q202-T206 PolarHBondContact O-OG1 2.99Å
203	K	92.2	Very high	87.8	Confident	137 Å²	137	73.7 Å²	73.7	60%	0.596	43%	0.43	S	S	*	.	H	α-helix	trans	-61.6	-44.8	173.7	-175.3	-180	176.4	179.9	0	111.1	I199 A200 Q201 T206 E207	I199-K203 PolarHBondContact O-N 2.93Å; I199-K203 VanDerWaalsContact O-N 3.14Å; A200-K203 WeakPolarHBondContact O-CB 3.35Å; A200-K203 PolarHBondContact O-N 3.15Å; Q201-K203 VanDerWaalsContact C-N 3.29Å; Q201-K203 PolarHBondContact O-N 2.95Å; K203-T206 WeakPolarHBondContact O-CB 3.48Å; K203-T206 PolarHBondContact O-N 2.83Å; K203-E207 WeakPolarHBondContact CE-OE1 3.1Å; K203-E207 WeakPolarHBondContact O-CG 3.3Å; K203-E207 PolarHBondContact O-N 2.67Å
204	I	90.8	Very high	87.8	Confident	28 Å²	28	73.3 Å²	73.3	14%	0.144	43%	0.426	C	S	.	.	H	α-helix	trans	-62.2	-45.5	175.7	-70.7	162.1	0	0	0	111.3	R136 E155 A200 Q201 Q202 T206 E207 I208	R136-I204 VanDerWaalsContact NH1-CG2 3.29Å; E155-I204 WeakPolarHBondContact OE1-CG2 3.33Å; E155-I204 WeakPolarHBondContact OE2-CG2 3.21Å; A200-I204 WeakPolarHBondContact O-CG1 3.35Å; A200-I204 PolarHBondContact O-N 3.2Å; A200-I204 VanDerWaalsContact O-N 3.11Å; Q201-I204 WeakPolarHBondContact O-CB 3.37Å; Q201-I204 PolarHBondContact O-N 2.87Å; Q202-I204 VanDerWaalsContact C-N 3.34Å; I204-T206 PolarHBondContact O-N 3.33Å; I204-E207 CarbonylContact O-C 3.5Å; I204-E207 WeakPolarHBondContact O-CB 3.49Å; I204-E207 PolarHBondContact O-N 3.31Å; I204-E207 VanDerWaalsContact O-N 3.09Å; I204-I208 HydrophobicContact CG2-CD1 3.84Å; I204-I208 HydrophobicContact CG2-CG1 4.32Å; I204-I208 WeakPolarHBondContact O-CG1 3.37Å; I204-I208 PolarHBondContact O-N 3.43Å
205	E	90.1	Very high	87.5	Confident	77 Å²	77	77 Å²	77	36%	0.36	45%	0.451	S	S	.	.	H	α-helix	trans	-58.2	-40	177	-75	-178.5	159.2	0	0	111.3	Y162 Q201 Q202 I208 A209	Y162-E205 PolarHBondContact OH-OE1 2.9Å; Q201-E205 WeakPolarHBondContact O-CG 3.32Å; Q201-E205 PolarHBondContact O-N 3.03Å; Q202-E205 PolarHBondContact O-N 3.38Å; E205-I208 PolarHBondContact O-N 2.99Å; E205-A209 WeakPolarHBondContact O-CB 3.25Å; E205-A209 PolarHBondContact O-N 3Å
206	T	91.9	Very high	87.3	Confident	96 Å²	96	74.2 Å²	74.2	59%	0.589	43%	0.431	S	S	*	.	H	α-helix	trans	-64.5	-42.4	174.6	-53.8	0	0	0	0	111.4	Q202 K203 I204 A209 A210	Q202-T206 WeakPolarHBondContact O-CB 3.13Å; Q202-T206 PolarHBondContact O-N 3.39Å; Q202-T206 PolarHBondContact O-OG1 2.99Å; K203-T206 WeakPolarHBondContact O-CB 3.48Å; K203-T206 PolarHBondContact O-N 2.83Å; I204-T206 PolarHBondContact O-N 3.33Å; T206-A209 PolarHBondContact O-N 3.37Å; T206-A210 WeakPolarHBondContact O-CB 3.45Å; T206-A210 PolarHBondContact O-N 3.27Å
207	E	91.1	Very high	86.7	Confident	85 Å²	85	75.4 Å²	75.4	40%	0.397	44%	0.44	S	S	.	.	H	α-helix	trans	-64.3	-37.8	175.2	-71.7	176	-167.1	0	0	112.3	A140 K203 I204 A211	A140-E207 HydrophobicContact CB-CB 3.75Å; K203-E207 WeakPolarHBondContact CE-OE1 3.1Å; K203-E207 WeakPolarHBondContact O-CG 3.3Å; K203-E207 PolarHBondContact O-N 2.67Å; I204-E207 CarbonylContact O-C 3.5Å; I204-E207 WeakPolarHBondContact O-CB 3.49Å; I204-E207 PolarHBondContact O-N 3.31Å; I204-E207 VanDerWaalsContact O-N 3.09Å; E207-A211 VanDerWaalsContact O-CB 3.24Å; E207-A211 WeakPolarHBondContact O-CB 3.49Å; E207-A211 PolarHBondContact O-N 2.98Å
208	I	87.3	Confident	85.7	Confident	31 Å²	31	76.8 Å²	76.8	16%	0.159	45%	0.448	C	S	.	.	H	α-helix	trans	-64.1	-46.9	174.1	-68	164.4	0	0	0	110.1	A140 Y153 E155 I204 E205 A210 A211 A212	A140-I208 HydrophobicContact CB-CG1 3.66Å; Y153-I208 HydrophobicContact CD1-CG2 4.23Å; Y153-I208 HydrophobicContact CE1-CD1 3.8Å; Y153-I208 HydrophobicContact CE1-CG1 4.28Å; Y153-I208 HydrophobicContact CE1-CG2 4.35Å; E155-I208 HydrophobicContact CG-CD1 4Å; I204-I208 HydrophobicContact CG2-CD1 3.84Å; I204-I208 HydrophobicContact CG2-CG1 4.32Å; I204-I208 WeakPolarHBondContact O-CG1 3.37Å; I204-I208 PolarHBondContact O-N 3.43Å; E205-I208 PolarHBondContact O-N 2.99Å; I208-A210 PolarHBondContact O-N 3.18Å; I208-A211 PolarHBondContact O-N 3.34Å; I208-A212 PolarHBondContact O-N 3.35Å
209	A	87.8	Confident	84.3	Confident	65 Å²	65	78.9 Å²	78.9	54%	0.537	45%	0.454	S	S	.	.	H	α-helix	trans	-62.4	-42.7	178.6	0	0	0	0	0	111.7	E205 T206 A212 A213	E205-A209 WeakPolarHBondContact O-CB 3.25Å; E205-A209 PolarHBondContact O-N 3Å; T206-A209 PolarHBondContact O-N 3.37Å; A209-A212 WeakPolarHBondContact O-CB 3.33Å; A209-A212 PolarHBondContact O-N 3.38Å; A209-A213 PolarHBondContact O-N 3.32Å
210	A	88.2	Confident	82.4	Confident	58 Å²	58	79.3 Å²	79.3	48%	0.479	46%	0.458	S	S	.	.	H	α-helix	trans	-62.9	-44.6	174.2	0	0	0	0	0	111.6	T206 I208 A212 A213 M214	T206-A210 WeakPolarHBondContact O-CB 3.45Å; T206-A210 PolarHBondContact O-N 3.27Å; I208-A210 PolarHBondContact O-N 3.18Å; A210-A212 VanDerWaalsContact C-N 3.25Å; A210-A212 PolarHBondContact O-N 2.89Å; A210-A213 WeakPolarHBondContact O-CB 3.12Å; A210-A213 PolarHBondContact O-N 3.23Å; A210-A213 VanDerWaalsContact O-N 3.08Å; A210-M214 PolarHBondContact O-N 2.86Å
211	A	83.8	Confident	80.5	Confident	16 Å²	16	83.9 Å²	83.9	13%	0.132	47%	0.472	C	S	.	.	H	α-helix	trans	-65.1	-28	177.2	0	0	0	0	0	113	R147 E207 I208 A213 M214	R147-A211 PolarHBondContact NH1-O 3.09Å; E207-A211 VanDerWaalsContact O-CB 3.24Å; E207-A211 WeakPolarHBondContact O-CB 3.49Å; E207-A211 PolarHBondContact O-N 2.98Å; I208-A211 PolarHBondContact O-N 3.34Å; A211-A213 PolarHBondContact O-N 3.5Å; A211-M214 HydrophobicContact CB-CE 4.31Å; A211-M214 PolarHBondContact O-N 3.31Å
212	A	79.6	Confident	78.5	Confident	49 Å²	49	89.1 Å²	89.1	41%	0.405	50%	0.5	S	S	.	.	H	α-helix	trans	-66.9	-26.2	173.7	0	0	0	0	0	112.9	R147 I208 A209 A210	R147-A212 VanDerWaalsContact CZ-O 3.24Å; R147-A212 PolarHBondContact NE-O 3.11Å; R147-A212 PolarHBondContact NH2-O 3.01Å; R147-A212 VanDerWaalsContact NH2-O 3.09Å; I208-A212 PolarHBondContact O-N 3.35Å; A209-A212 WeakPolarHBondContact O-CB 3.33Å; A209-A212 PolarHBondContact O-N 3.38Å; A210-A212 VanDerWaalsContact C-N 3.25Å; A210-A212 PolarHBondContact O-N 2.89Å
213	A	79.6	Confident	76.2	Confident	90 Å²	90	86.6 Å²	86.6	74%	0.744	51%	0.506	S	S	*	.	H	α-helix	trans	-85.7	-12.7	176.6	0	0	0	0	0	114	A209 A210 A211	A209-A213 PolarHBondContact O-N 3.32Å; A210-A213 WeakPolarHBondContact O-CB 3.12Å; A210-A213 PolarHBondContact O-N 3.23Å; A210-A213 VanDerWaalsContact O-N 3.08Å; A211-A213 PolarHBondContact O-N 3.5Å
214	M	81.7	Confident	73.6	Confident	100 Å²	100	87.3 Å²	87.3	49%	0.493	52%	0.516	S	S	.	.	S	Bend	trans	-81.9	152.4	179.5	-60.7	-167.5	-43.2	0	0	112.3	R147 A210 A211	R147-M214 PolarHBondContact NH1-O 3.29Å; R147-M214 PolarHBondContact NH2-O 2.71Å; A210-M214 PolarHBondContact O-N 2.86Å; A211-M214 HydrophobicContact CB-CE 4.31Å; A211-M214 PolarHBondContact O-N 3.31Å
215	P	81.4	Confident	71.1	Confident	121 Å²	121	93.8 Å²	93.8	79%	0.786	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-53.5	147.5	168.7	-23.2	33.5	0	0	0	111.8
216	L	80.1	Confident	68.7	Low	66 Å²	66	100.8 Å²	100.8	35%	0.346	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-72.2	139.8	172.2	-70.3	168.2	0	0	0	108.8	R147 K148	R147-L216 HydrophobicContact CB-CD1 4.41Å; R147-L216 HydrophobicContact CB-CD2 3.78Å; K148-L216 HydrophobicContact CG-CD1 4.11Å; K148-L216 HydrophobicContact CG-CD2 4.18Å
217	P	74.2	Confident	67.5	Low	49 Å²	49	101.1 Å²	101.1	32%	0.318	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-62.5	142.3	172.1	25	-30.6	0	0	0	109.8
218	D	68.6	Low	66.3	Low	130 Å²	130	101.9 Å²	101.9	70%	0.695	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-57.9	142	179	-67.1	-36.9	0	0	0	110.3	D220 E221	D218-D220 PolarHBondContact O-N 3.14Å; D218-E221 PolarHBondContact O-N 3.14Å
219	E	59.1	Low	65.1	Low	154 Å²	154	105.8 Å²	105.8	72%	0.72	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-59.9	-20.4	-172.1	-68.7	-167.2	147.6	0	0	113.4	E221	E219-E221 PolarHBondContact O-N 3.38Å
220	D	52.6	Low	63.8	Low	143 Å²	143	108.2 Å²	108.2	77%	0.765	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-76.1	-17.3	-175.3	-63.2	-31.3	0	0	0	114.2	D218	D218-D220 PolarHBondContact O-N 3.14Å
221	E	48.7	Very low	62.3	Low	140 Å²	140	111.4 Å²	111.4	65%	0.654	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-78.7	-24.4	179.1	-83.1	-167.7	156.2	0	0	113.8	D218 E219 G223 L224	D218-E221 PolarHBondContact O-N 3.14Å; E219-E221 PolarHBondContact O-N 3.38Å; E221-G223 PolarHBondContact O-N 3.24Å; E221-L224 PolarHBondContact O-N 2.77Å
222	D	49.3	Very low	60.8	Low	115 Å²	115	117.7 Å²	117.7	62%	0.615	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-71.2	-12.8	-176.5	-75.9	-33.4	0	0	0	112.5	K148	K148-D222 IonicContact NZ-OD2 3.26Å; K148-D222 PolarHBondContact NZ-OD2 2.94Å
223	G	42.7	Very low	59.5	Low	68 Å²	68	122.6 Å²	122.6	70%	0.701	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-88.3	-5.5	177.5	0	0	0	0	0	115.7	E221	E221-G223 PolarHBondContact O-N 3.24Å
224	L	38	Very low	58	Low	152 Å²	152	125.2 Å²	125.2	80%	0.796	69%	0.685	S	S	*	*			trans	-113.5	9.5	-170.8	-102.9	122.9	0	0	0	115.5	E221 D226	E221-L224 PolarHBondContact O-N 2.77Å; L224-D226 PolarHBondContact O-N 3.24Å
225	M	38.4	Very low	56	Low	164 Å²	164	127.3 Å²	127.3	81%	0.808	70%	0.701	S	S	*	*			trans	-98.4	74.7	169.6	-68.5	-165.5	-171.1	0	0	111
226	D	38.8	Very low	53.7	Low	225 Å²	225	127.8 Å²	127.8	100%	1.203	69%	0.693	S	S	*	*			trans	-90.3	0	153.4	-80.7	-18.4	0	0	0	110.2	L224	L224-D226 PolarHBondContact O-N 3.24Å

Retrieved 226 of 226 residues in 42.6 ms (Link to these results)

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