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GTP-binding nuclear protein Ran-1

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 (Q7F7I7), UniProt , Accession A2WSI7, Species ORYSI (Oryza sativa subsp. indica, Rice), Gene RAN1, Length 221 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.1	Very low	66.5	Low	212 Å²	212	112.3 Å²	112.3	100%	1.044	62%	0.619	S	S	*	*				0	114.6	0	-85.6	178.6	-130.5	0	0	107.9	L3	M1-L3 PolarHBondContact O-N 3.05Å
2	A	47.6	Very low	69	Low	85 Å²	85	109.2 Å²	109.2	70%	0.702	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-63.4	132	164.3	0	0	0	0	0	107.4
3	L	51.8	Low	71.1	Confident	65 Å²	65	104.1 Å²	104.1	34%	0.34	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-61.9	135.3	174.4	-75.9	158.3	0	0	0	108.2	M1 N5 V48 V50 W67	M1-L3 PolarHBondContact O-N 3.05Å; L3-N5 PolarHBondContact O-N 3.07Å; L3-V48 HydrophobicContact CD1-CG1 4.07Å; L3-V50 HydrophobicContact CD1-CB 4.31Å; L3-V50 HydrophobicContact CD1-CG2 3.31Å; L3-W67 HydrophobicContact CD1-CE3 4.3Å; L3-W67 HydrophobicContact CD1-CH2 3.65Å; L3-W67 HydrophobicContact CD1-CZ2 4.06Å; L3-W67 HydrophobicContact CD1-CZ3 3.79Å; L3-W67 HydrophobicContact CG-CH2 3.83Å; L3-W67 HydrophobicContact CG-CZ2 4.43Å; L3-W67 HydrophobicContact CG-CZ3 4.25Å
4	P	46.6	Very low	72.9	Confident	113 Å²	113	98.9 Å²	98.9	73%	0.734	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	138.2	176.2	22.1	-29.4	0	0	0	109.5
5	N	54.5	Low	74.6	Confident	161 Å²	161	93.9 Å²	93.9	86%	0.861	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	16.4	178.2	-54.5	-18	0	0	0	119.2	L3 Q7	L3-N5 PolarHBondContact O-N 3.07Å; N5-Q7 PolarHBondContact O-N 3.19Å; N5-Q7 VanDerWaalsContact O-N 3.15Å
6	Q	63.3	Low	76	Confident	61 Å²	61	88.1 Å²	88.1	29%	0.285	49%	0.49	S	S	.	.			trans	-75.1	103.4	163.9	-73.1	177.5	-3	0	0	110	T8 Y65	Q6-T8 PolarHBondContact O-N 3.41Å; Q6-T8 VanDerWaalsContact O-N 3.14Å; Q6-Y65 HydrophobicContact CB-CE1 4.38Å; Q6-Y65 HydrophobicContact CG-CD1 4.28Å; Q6-Y65 HydrophobicContact CG-CE1 4.36Å
7	Q	68.4	Low	77.3	Confident	156 Å²	156	82.9 Å²	82.9	73%	0.729	46%	0.461	S	S	*	.			trans	-59.3	115.4	173.7	-74	-179.9	-10.6	0	0	109.4	N5 V9 Y65	N5-Q7 PolarHBondContact O-N 3.19Å; N5-Q7 VanDerWaalsContact O-N 3.15Å; Q7-V9 PolarHBondContact O-N 3.33Å; Q7-Y65 PolarHBondContact O-OH 3.4Å
8	T	79.9	Confident	78.4	Confident	138 Å²	138	78.3 Å²	78.3	85%	0.847	44%	0.435	S	S	*	.			trans	-61.1	134.7	171.2	50.5	0	0	0	0	109.3	Q6	Q6-T8 PolarHBondContact O-N 3.41Å; Q6-T8 VanDerWaalsContact O-N 3.14Å
9	V	91.1	Very high	79.4	Confident	35 Å²	35	74.2 Å²	74.2	21%	0.212	41%	0.413	C	S	.	.			trans	-105.6	156	177	-67	0	0	0	0	110	Q7 Y11 R63	Q7-V9 PolarHBondContact O-N 3.33Å; V9-Y11 VanDerWaalsContact C-N 3.32Å; V9-Y11 HydrophobicContact CB-CD1 4.03Å; V9-Y11 HydrophobicContact CB-CD2 4.43Å; V9-Y11 HydrophobicContact CB-CE1 3.64Å; V9-Y11 HydrophobicContact CB-CE2 4.12Å; V9-Y11 HydrophobicContact CB-CG 4.39Å; V9-Y11 HydrophobicContact CG1-CE1 3.93Å; V9-Y11 HydrophobicContact CG1-CE2 4.37Å; V9-Y11 WeakPolarHBondContact CG1-OH 3.33Å; V9-Y11 HydrophobicContact CG2-CD2 4.12Å; V9-Y11 HydrophobicContact CG2-CE1 4.35Å; V9-Y11 HydrophobicContact CG2-CE2 3.96Å; V9-Y11 HydrophobicContact CG2-CG 4.41Å; V9-Y11 WeakPolarHBondContact CG2-O 3.19Å; V9-R63 VanDerWaalsContact CG1-NH1 3.29Å
10	D	93.5	Very high	80.3	Confident	162 Å²	162	70.5 Å²	70.5	87%	0.866	39%	0.392	S	S	*	.	S	Bend	trans	-89.7	8.5	-179.6	62.1	-25.5	0	0	0	113.8
11	Y	94.5	Very high	81.1	Confident	47 Å²	47	68.1 Å²	68.1	18%	0.184	38%	0.379	C	S	.	.	S	Bend	trans	-124.7	166.3	175.3	52.1	-91.2	0	0	0	110.9	V9 S13 D54 K61 R63	V9-Y11 VanDerWaalsContact C-N 3.32Å; V9-Y11 HydrophobicContact CB-CD1 4.03Å; V9-Y11 HydrophobicContact CB-CD2 4.43Å; V9-Y11 HydrophobicContact CB-CE1 3.64Å; V9-Y11 HydrophobicContact CB-CE2 4.12Å; V9-Y11 HydrophobicContact CB-CG 4.39Å; V9-Y11 HydrophobicContact CG1-CE1 3.93Å; V9-Y11 HydrophobicContact CG1-CE2 4.37Å; V9-Y11 WeakPolarHBondContact CG1-OH 3.33Å; V9-Y11 HydrophobicContact CG2-CD2 4.12Å; V9-Y11 HydrophobicContact CG2-CE1 4.35Å; V9-Y11 HydrophobicContact CG2-CE2 3.96Å; V9-Y11 HydrophobicContact CG2-CG 4.41Å; V9-Y11 WeakPolarHBondContact CG2-O 3.19Å; Y11-S13 PolarHBondContact O-N 3.3Å; Y11-D54 PolarHBondContact OH-OD1 2.97Å; Y11-K61 HydrophobicContact CD1-CD 4.38Å; Y11-K61 HydrophobicContact CD2-CB 4.13Å; Y11-K61 HydrophobicContact CD2-CD 4.26Å; Y11-K61 HydrophobicContact CD2-CG 3.95Å; Y11-K61 WeakPolarHBondContact CD2-O 3.38Å; Y11-K61 HydrophobicContact CE1-CD 3.95Å; Y11-K61 HydrophobicContact CE2-CB 4.4Å; Y11-K61 HydrophobicContact CE2-CD 3.75Å; Y11-K61 HydrophobicContact CE2-CG 3.73Å; Y11-K61 HydrophobicContact CG-CB 4.31Å; Y11-K61 HydrophobicContact CG-CG 4.48Å; Y11-K61 WeakPolarHBondContact OH-CE 3.33Å; Y11-K61 PolarHBondContact OH-NZ 3.08Å; Y11-R63 HydrophobicContact CE2-CB 3.8Å; Y11-R63 VanDerWaalsContact OH-CZ 3.32Å; Y11-R63 PolarHBondContact OH-NE 2.74Å; Y11-R63 PolarHBondContact OH-NH2 2.9Å; Y11-R63 VanDerWaalsContact OH-NH2 3.11Å
12	P	96.1	Very high	83.7	Confident	75 Å²	75	59.2 Å²	59.2	49%	0.487	34%	0.341	S	S	.	.			trans	-54.5	129.2	-176.7	-27.6	36	0	0	0	112.7	F14 I62 R63	P12-F14 HydrophobicContact CB-CE2 4.06Å; P12-F14 HydrophobicContact CB-CZ 4.13Å; P12-I62 HydrophobicContact CB-CG2 4.34Å; P12-I62 WeakPolarHBondContact O-CA 3.33Å; P12-R63 PolarHBondContact O-N 3.04Å
13	S	96.5	Very high	85.9	Confident	43 Å²	43	56.4 Å²	56.4	30%	0.301	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.6	176.8	70.3	0	0	0	0	111.4	Y11 R63	Y11-S13 PolarHBondContact O-N 3.3Å; S13-R63 CarbonylContact C-O 3.59Å; S13-R63 WeakPolarHBondContact CA-O 3.21Å
14	F	97.2	Very high	88.1	Confident	32 Å²	32	53.3 Å²	53.3	14%	0.14	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.8	-172.6	-54.1	-81.6	0	0	0	111	P12 L16 R63 F64 Y65 Q87 L171	P12-F14 HydrophobicContact CB-CE2 4.06Å; P12-F14 HydrophobicContact CB-CZ 4.13Å; F14-L16 PolarHBondContact O-N 3.34Å; F14-R63 PolarHBondContact N-O 2.79Å; F14-F64 HydrophobicContact CB-CD1 3.92Å; F14-F64 HydrophobicContact CB-CE1 4.03Å; F14-F64 HydrophobicContact CD2-CE1 4.27Å; F14-F64 HydrophobicContact CG-CE1 4.46Å; F14-F64 CarbonylContact O-C 3.59Å; F14-F64 WeakPolarHBondContact O-CA 3.33Å; F14-Y65 PolarHBondContact O-N 3.06Å; F14-Q87 VanDerWaalsContact CA-OE1 3.29Å; F14-L171 HydrophobicContact CB-CD1 4Å; F14-L171 HydrophobicContact CD1-CB 4.19Å; F14-L171 HydrophobicContact CD1-CD1 3.85Å; F14-L171 HydrophobicContact CD1-CD2 4.01Å; F14-L171 HydrophobicContact CD1-CG 4.25Å; F14-L171 HydrophobicContact CD2-CD1 4.09Å; F14-L171 HydrophobicContact CE1-CB 3.86Å; F14-L171 HydrophobicContact CE1-CD1 4.35Å; F14-L171 HydrophobicContact CE1-CD2 4.31Å; F14-L171 HydrophobicContact CE1-CG 4.41Å; F14-L171 HydrophobicContact CE2-CB 4.46Å; F14-L171 HydrophobicContact CG-CD1 3.71Å; F14-L171 HydrophobicContact CZ-CB 4.01Å
15	K	97.1	Very high	90.5	Very high	24 Å²	24	48.5 Å²	48.5	10%	0.104	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	113.1	168.2	179.9	168.8	171.2	174.3	0	109.8	W67 Y82 I84 Q87 C88	K15-W67 HydrophobicContact CD-CD2 4.44Å; K15-W67 HydrophobicContact CD-CZ2 4.35Å; K15-W67 HydrophobicContact CG-CG 4.43Å; K15-Y82 VanDerWaalsContact CE-O 3.23Å; K15-Y82 WeakPolarHBondContact CE-O 3.06Å; K15-Y82 PolarHBondContact NZ-O 2.85Å; K15-I84 PolarHBondContact NZ-O 2.94Å; K15-Q87 PolarHBondContact O-N 2.88Å; K15-C88 PolarHBondContact O-N 3.48Å
16	L	98.2	Very high	92.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.5	172	-174.3	154.1	0	0	0	108.9	F14 I18 F64 Y65 C66 W67 C88 I90 F164 L167	F14-L16 PolarHBondContact O-N 3.34Å; L16-I18 HydrophobicContact CD2-CB 4.2Å; L16-F64 HydrophobicContact CB-CB 4.23Å; L16-F64 HydrophobicContact CB-CD1 3.92Å; L16-F64 HydrophobicContact CB-CG 4.43Å; L16-F64 HydrophobicContact CD1-CB 4.46Å; L16-F64 HydrophobicContact CD1-CD1 3.87Å; L16-F64 HydrophobicContact CD1-CE1 4.28Å; L16-F64 HydrophobicContact CD1-CG 4.14Å; L16-Y65 PolarHBondContact N-O 3.31Å; L16-C66 HydrophobicContact CD2-CB 4.49Å; L16-C66 CarbonylContact O-C 3.48Å; L16-C66 WeakPolarHBondContact O-CA 3.25Å; L16-W67 PolarHBondContact O-N 2.95Å; L16-C88 WeakPolarHBondContact CA-O 3.38Å; L16-I90 HydrophobicContact CD1-CD1 4.11Å; L16-I90 HydrophobicContact CD1-CG1 4.37Å; L16-I90 HydrophobicContact CD2-CD1 4.22Å; L16-I90 HydrophobicContact CD2-CG1 4.28Å; L16-F164 HydrophobicContact CD1-CD1 4.01Å; L16-F164 HydrophobicContact CD1-CE1 3.75Å; L16-L167 HydrophobicContact CD1-CD1 3.53Å; L16-L167 HydrophobicContact CG-CD1 4.35Å
17	V	97.1	Very high	94	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.9	172.6	-171.2	0	0	0	0	108.9	V19 T69 Y83 C88 A89 I90 L111	V17-V19 HydrophobicContact CG1-CG1 3.64Å; V17-T69 HydrophobicContact CG1-CG2 4Å; V17-Y83 HydrophobicContact CG1-CD1 3.67Å; V17-Y83 HydrophobicContact CG1-CE1 3.9Å; V17-C88 PolarHBondContact N-O 3.5Å; V17-A89 HydrophobicContact CB-CB 4.43Å; V17-A89 CarbonylContact O-C 3.58Å; V17-A89 WeakPolarHBondContact O-CA 3.42Å; V17-A89 VanDerWaalsContact O-CB 3.3Å; V17-A89 WeakPolarHBondContact O-CB 3.43Å; V17-I90 PolarHBondContact O-N 2.95Å; V17-L111 HydrophobicContact CB-CD1 4.46Å
18	I	97.8	Very high	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.5	170.6	-171.3	171.7	0	0	0	109.9	L16 K26 F29 V30 W67 D68 T69 I90 M92	L16-I18 HydrophobicContact CD2-CB 4.2Å; I18-K26 HydrophobicContact CD1-CB 3.88Å; I18-K26 HydrophobicContact CD1-CG 4.04Å; I18-K26 HydrophobicContact CG1-CB 4.1Å; I18-K26 HydrophobicContact CG1-CD 4.02Å; I18-K26 HydrophobicContact CG1-CG 3.91Å; I18-K26 HydrophobicContact CG2-CB 4.45Å; I18-F29 HydrophobicContact CD1-CD1 4.14Å; I18-V30 HydrophobicContact CD1-CG2 4.15Å; I18-V30 HydrophobicContact CG2-CG2 4.03Å; I18-W67 WeakPolarHBondContact CG2-O 3.46Å; I18-W67 PolarHBondContact N-O 3.39Å; I18-D68 VanDerWaalsContact CG2-CA 3.5Å; I18-D68 HydrophobicContact CG2-CB 4.09Å; I18-T69 PolarHBondContact O-N 3.31Å; I18-T69 PolarHBondContact O-OG1 3.27Å; I18-I90 WeakPolarHBondContact CA-O 3.31Å; I18-I90 HydrophobicContact CB-CB 4.4Å; I18-I90 HydrophobicContact CD1-CB 4.38Å; I18-I90 HydrophobicContact CD1-CG2 4.15Å; I18-I90 HydrophobicContact CG1-CB 4.01Å; I18-I90 HydrophobicContact CG1-CG2 4.07Å; I18-M92 HydrophobicContact CD1-CE 4.01Å
19	V	97	Very high	96.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	166.5	-174.4	-57.8	0	0	0	0	111.3	V17 K26 T69 Y83 I90 I91 M92 W107	V17-V19 HydrophobicContact CG1-CG1 3.64Å; V19-K26 VanDerWaalsContact C-CD 3.47Å; V19-T69 HydrophobicContact CG1-CG2 4.46Å; V19-Y83 HydrophobicContact CG1-CD1 4.48Å; V19-Y83 HydrophobicContact CG1-CE1 3.55Å; V19-I90 PolarHBondContact N-O 3.02Å; V19-I91 HydrophobicContact CG2-CB 4.21Å; V19-I91 HydrophobicContact CG2-CG1 3.7Å; V19-I91 HydrophobicContact CG2-CG2 4.28Å; V19-M92 PolarHBondContact O-N 3.36Å; V19-W107 HydrophobicContact CB-CD2 4.34Å; V19-W107 HydrophobicContact CB-CE3 3.7Å; V19-W107 HydrophobicContact CB-CZ3 4.11Å; V19-W107 HydrophobicContact CG1-CE3 4.37Å; V19-W107 HydrophobicContact CG2-CB 4.22Å; V19-W107 HydrophobicContact CG2-CE3 4.29Å
20	G	97.4	Very high	96.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.01	15%	0.15	C	C	.	.			trans	133.6	167.3	-176.8	0	0	0	0	0	111.8	K26 G71 M92 W107	G20-K26 WeakPolarHBondContact O-CE 3.43Å; G20-K26 PolarHBondContact O-NZ 2.84Å; G20-G71 WeakPolarHBondContact O-CA 3.47Å; G20-M92 WeakPolarHBondContact CA-O 3.48Å; G20-W107 VanDerWaalsContact C-CE2 3.4Å; G20-W107 VanDerWaalsContact C-CZ2 3.43Å; G20-W107 VanDerWaalsContact O-CZ2 3.32Å; G20-W107 WeakPolarHBondContact O-CZ2 3.43Å
21	D	96.7	Very high	96.2	Very high	20 Å²	20	19.5 Å²	19.5	11%	0.107	12%	0.12	C	C	.	.			trans	-56.3	160.6	-174.2	-77.9	13.2	0	0	0	114.1	T24 K26 T100 N103 W107	D21-T24 HydrophobicContact CB-CG2 3.84Å; D21-T24 WeakPolarHBondContact O-CG2 3.3Å; D21-T24 PolarHBondContact O-N 3.49Å; D21-T24 PolarHBondContact O-OG1 3.16Å; D21-K26 PolarHBondContact O-NZ 3.22Å; D21-T100 HydrophobicContact CB-CG2 3.8Å; D21-T100 WeakPolarHBondContact OD2-CA 3Å; D21-N103 WeakPolarHBondContact OD1-CB 3.14Å; D21-N103 PolarHBondContact OD1-ND2 3.26Å; D21-N103 PolarHBondContact OD2-ND2 2.89Å; D21-W107 PolarHBondContact OD1-NE1 3.29Å
22	G	94.9	Very high	96.2	Very high	25 Å²	25	17.3 Å²	17.3	26%	0.258	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	141.3	170.6	0	0	0	0	0	111.3	T24 G71	G22-T24 VanDerWaalsContact C-N 3.26Å; G22-T24 PolarHBondContact O-N 3.31Å; G22-G71 VanDerWaalsContact N-C 3.31Å; G22-G71 PolarHBondContact N-O 3.29Å; G22-G71 VanDerWaalsContact N-O 3.11Å
23	G	94.9	Very high	96	Very high	26 Å²	26	14.7 Å²	14.7	27%	0.268	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	2.4	177.2	0	0	0	0	0	115.9	G25 Y42 K126	G23-G25 PolarHBondContact O-N 2.92Å; G23-Y42 PolarHBondContact N-OH 2.81Å; G23-K126 WeakPolarHBondContact O-CE 3.12Å; G23-K126 PolarHBondContact O-NZ 3.07Å
24	T	97.2	Very high	95.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-68.6	-20	175.5	57	0	0	0	0	113.4	D21 G22 D94 T100 N125	D21-T24 HydrophobicContact CB-CG2 3.84Å; D21-T24 WeakPolarHBondContact O-CG2 3.3Å; D21-T24 PolarHBondContact O-N 3.49Å; D21-T24 PolarHBondContact O-OG1 3.16Å; G22-T24 VanDerWaalsContact C-N 3.26Å; G22-T24 PolarHBondContact O-N 3.31Å; T24-D94 HydrophobicContact CG2-CB 4.32Å; T24-T100 HydrophobicContact CG2-CG2 3.81Å; T24-N125 PolarHBondContact O-ND2 3.08Å
25	G	96.4	Very high	95.2	Very high	13 Å²	13	18.8 Å²	18.8	13%	0.134	12%	0.115	C	C	.	.	S	Bend	trans	105.1	17.4	175.6	0	0	0	0	0	115.4	G23 T28 F29 M92	G23-G25 PolarHBondContact O-N 2.92Å; G25-T28 PolarHBondContact O-N 2.98Å; G25-F29 VanDerWaalsContact O-CB 3.29Å; G25-F29 WeakPolarHBondContact O-CB 3.49Å; G25-F29 PolarHBondContact O-N 3.24Å; G25-M92 VanDerWaalsContact C-SD 3.6Å
26	K	97.1	Very high	94.7	Very high	8 Å²	8	17.7 Å²	17.7	4%	0.035	11%	0.111	C	C	.	.	H	α-helix	trans	-51.7	-57.3	178.3	-60.1	-176.3	-58.3	-68.7	0	112.7	I18 V19 G20 D21 T28 F29 V30 D68 T69 M92	I18-K26 HydrophobicContact CD1-CB 3.88Å; I18-K26 HydrophobicContact CD1-CG 4.04Å; I18-K26 HydrophobicContact CG1-CB 4.1Å; I18-K26 HydrophobicContact CG1-CD 4.02Å; I18-K26 HydrophobicContact CG1-CG 3.91Å; I18-K26 HydrophobicContact CG2-CB 4.45Å; V19-K26 VanDerWaalsContact C-CD 3.47Å; G20-K26 WeakPolarHBondContact O-CE 3.43Å; G20-K26 PolarHBondContact O-NZ 2.84Å; D21-K26 PolarHBondContact O-NZ 3.22Å; K26-T28 PolarHBondContact O-N 3.43Å; K26-F29 WeakPolarHBondContact O-CB 3.33Å; K26-F29 PolarHBondContact O-N 2.99Å; K26-F29 VanDerWaalsContact O-N 3.1Å; K26-V30 WeakPolarHBondContact O-CG2 3.12Å; K26-V30 PolarHBondContact O-N 2.91Å; K26-D68 VanDerWaalsContact CB-OD1 3.31Å; K26-D68 WeakPolarHBondContact CB-OD1 2.97Å; K26-T69 WeakPolarHBondContact CE-O 3.43Å; K26-M92 HydrophobicContact CG-CB 4.06Å; K26-M92 HydrophobicContact CG-SD 4.12Å
27	T	95.5	Very high	94.2	Very high	18 Å²	18	24.1 Å²	24.1	11%	0.11	14%	0.141	C	C	.	.	H	α-helix	trans	-58.2	-46.7	179.7	-46.3	0	0	0	0	112	F29 V30 K31 T45 D68	T27-F29 VanDerWaalsContact C-N 3.31Å; T27-F29 PolarHBondContact O-N 3.21Å; T27-V30 PolarHBondContact O-N 3.02Å; T27-K31 HydrophobicContact CG2-CD 3.94Å; T27-K31 HydrophobicContact CG2-CG 4.29Å; T27-K31 WeakPolarHBondContact O-CB 2.83Å; T27-K31 WeakPolarHBondContact O-CG 3.4Å; T27-K31 PolarHBondContact O-N 3.46Å; T27-T45 PolarHBondContact OG1-OG1 3.47Å; T27-D68 VanDerWaalsContact CA-OD2 3.28Å; T27-D68 WeakPolarHBondContact CA-OD2 3.49Å; T27-D68 VanDerWaalsContact CB-OD2 3.23Å; T27-D68 WeakPolarHBondContact CB-OD2 3.43Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.47Å; T27-D68 PolarHBondContact OG1-OD2 3.16Å
28	T	95.4	Very high	93.6	Very high	25 Å²	25	26.6 Å²	26.6	15%	0.153	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-41.2	176.4	-47.7	0	0	0	0	111.8	G25 K26 R32 F38 A154	G25-T28 PolarHBondContact O-N 2.98Å; K26-T28 PolarHBondContact O-N 3.43Å; T28-R32 WeakPolarHBondContact O-CB 3.42Å; T28-R32 PolarHBondContact O-N 2.63Å; T28-F38 HydrophobicContact CG2-CD2 3.55Å; T28-F38 HydrophobicContact CG2-CE2 3.35Å; T28-F38 HydrophobicContact CG2-CZ 4.18Å; T28-A154 HydrophobicContact CG2-CB 4.25Å
29	F	96	Very high	93.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-41.2	177.9	-178.9	-96.7	0	0	0	112	I18 G25 K26 T27 H33 I90 M92 V152 A154 F160 P163 F164	I18-F29 HydrophobicContact CD1-CD1 4.14Å; G25-F29 VanDerWaalsContact O-CB 3.29Å; G25-F29 WeakPolarHBondContact O-CB 3.49Å; G25-F29 PolarHBondContact O-N 3.24Å; K26-F29 WeakPolarHBondContact O-CB 3.33Å; K26-F29 PolarHBondContact O-N 2.99Å; K26-F29 VanDerWaalsContact O-N 3.1Å; T27-F29 VanDerWaalsContact C-N 3.31Å; T27-F29 PolarHBondContact O-N 3.21Å; F29-H33 AromaticContact CE1-CE1 3.92Å; F29-H33 AromaticContact CE2-CE1 3.88Å; F29-H33 AromaticContact CZ-CE1 3.61Å; F29-H33 PolarHBondContact O-N 2.96Å; F29-H33 PolarHBondContact O-ND1 3.38Å; F29-I90 HydrophobicContact CE1-CD1 4.18Å; F29-M92 HydrophobicContact CB-CE 3.77Å; F29-M92 HydrophobicContact CD1-CE 3.87Å; F29-M92 HydrophobicContact CD2-CE 4.04Å; F29-M92 HydrophobicContact CE1-CE 4.47Å; F29-M92 HydrophobicContact CG-CE 3.63Å; F29-V152 HydrophobicContact CE2-CB 4.39Å; F29-V152 HydrophobicContact CE2-CG2 4.3Å; F29-A154 HydrophobicContact CB-CB 4.17Å; F29-A154 HydrophobicContact CD2-CB 4.31Å; F29-F160 AromaticContact CD2-CD2 3.64Å; F29-F160 HydrophobicContact CD2-CD2 3.64Å; F29-F160 AromaticContact CD2-CE2 3.37Å; F29-F160 HydrophobicContact CD2-CE2 3.37Å; F29-F160 HydrophobicContact CD2-CZ 4.42Å; F29-F160 AromaticContact CE2-CD2 3.47Å; F29-F160 HydrophobicContact CE2-CD2 3.47Å; F29-F160 VanDerWaalsContact CE2-CD2 3.47Å; F29-F160 AromaticContact CE2-CE2 3.66Å; F29-F160 HydrophobicContact CE2-CE2 3.66Å; F29-F160 HydrophobicContact CE2-CG 4.35Å; F29-F160 HydrophobicContact CG-CE2 4.07Å; F29-F160 HydrophobicContact CZ-CD2 4.43Å; F29-F160 WeakPolarHBondContact CZ-O 3.02Å; F29-F160 VanDerWaalsContact O-CZ 3.26Å; F29-F160 WeakPolarHBondContact O-CZ 3.38Å; F29-P163 HydrophobicContact CZ-CG 4.14Å; F29-F164 HydrophobicContact CD1-CE2 4.37Å; F29-F164 HydrophobicContact CE1-CD2 4.4Å; F29-F164 AromaticContact CE1-CE2 3.39Å; F29-F164 HydrophobicContact CE1-CE2 3.39Å; F29-F164 AromaticContact CE1-CZ 3.86Å; F29-F164 HydrophobicContact CE1-CZ 3.86Å; F29-F164 HydrophobicContact CZ-CD2 4.4Å; F29-F164 AromaticContact CZ-CE2 3.73Å; F29-F164 HydrophobicContact CZ-CE2 3.73Å
30	V	95.3	Very high	92.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-71.1	-54.4	178.2	173.9	0	0	0	0	111.4	I18 K26 T27 R32 H33 L34 H51 L53 C66	I18-V30 HydrophobicContact CD1-CG2 4.15Å; I18-V30 HydrophobicContact CG2-CG2 4.03Å; K26-V30 WeakPolarHBondContact O-CG2 3.12Å; K26-V30 PolarHBondContact O-N 2.91Å; T27-V30 PolarHBondContact O-N 3.02Å; V30-R32 PolarHBondContact O-N 3.41Å; V30-H33 WeakPolarHBondContact O-CB 3.05Å; V30-H33 PolarHBondContact O-N 2.9Å; V30-L34 PolarHBondContact O-N 2.78Å; V30-H51 HydrophobicContact CG1-CB 3.55Å; V30-L53 HydrophobicContact CG1-CD1 4.34Å; V30-C66 HydrophobicContact CG1-CB 4.19Å; V30-C66 WeakPolarHBondContact CG2-SG 3.15Å
31	K	92.7	Very high	92.2	Very high	53 Å²	53	43.3 Å²	43.3	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-35.8	-178.8	-74.3	-177	-179.4	175.6	0	111.8	T27 H33 L34 T35 E39	T27-K31 HydrophobicContact CG2-CD 3.94Å; T27-K31 HydrophobicContact CG2-CG 4.29Å; T27-K31 WeakPolarHBondContact O-CB 2.83Å; T27-K31 WeakPolarHBondContact O-CG 3.4Å; T27-K31 PolarHBondContact O-N 3.46Å; K31-H33 VanDerWaalsContact C-N 3.32Å; K31-H33 PolarHBondContact O-N 2.88Å; K31-L34 CarbonylContact O-C 3.47Å; K31-L34 WeakPolarHBondContact O-CA 3.15Å; K31-L34 WeakPolarHBondContact O-CB 3.41Å; K31-L34 PolarHBondContact O-N 3.26Å; K31-T35 PolarHBondContact O-N 3.13Å; K31-T35 PolarHBondContact O-OG1 3.43Å; K31-T35 VanDerWaalsContact O-OG1 3.12Å; K31-E39 WeakPolarHBondContact CD-OE2 3.44Å; K31-E39 WeakPolarHBondContact CE-OE2 3.46Å; K31-E39 IonicContact NZ-OE1 3.43Å; K31-E39 PolarHBondContact NZ-OE1 2.72Å; K31-E39 IonicContact NZ-OE2 3.05Å; K31-E39 PolarHBondContact NZ-OE2 3.1Å
32	R	92.6	Very high	91.8	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-28.9	177	-175.4	168.3	-157.1	173.4	-0.9	113.4	T28 V30 L34 G36 E37 A154 K155 N157 F160 L185 A186 P187	T28-R32 WeakPolarHBondContact O-CB 3.42Å; T28-R32 PolarHBondContact O-N 2.63Å; V30-R32 PolarHBondContact O-N 3.41Å; R32-L34 VanDerWaalsContact C-N 3.3Å; R32-G36 WeakPolarHBondContact O-CA 3.4Å; R32-G36 PolarHBondContact O-N 2.91Å; R32-E37 WeakPolarHBondContact CA-O 3.29Å; R32-E37 WeakPolarHBondContact CB-O 3.31Å; R32-A154 WeakPolarHBondContact CD-O 3.37Å; R32-A154 PolarHBondContact NH1-O 2.9Å; R32-K155 PolarHBondContact NH1-O 2.93Å; R32-N157 WeakPolarHBondContact CD-OD1 3.47Å; R32-N157 PolarHBondContact NE-OD1 2.66Å; R32-N157 PolarHBondContact NH1-OD1 3.28Å; R32-N157 PolarHBondContact NH2-ND2 2.94Å; R32-N157 PolarHBondContact NH2-OD1 3.04Å; R32-F160 HydrophobicContact CB-CE1 4.39Å; R32-F160 HydrophobicContact CB-CE2 4.41Å; R32-F160 HydrophobicContact CB-CZ 3.63Å; R32-F160 HydrophobicContact CG-CE1 4.1Å; R32-F160 HydrophobicContact CG-CE2 4.5Å; R32-F160 HydrophobicContact CG-CZ 3.7Å; R32-L185 HydrophobicContact CG-CD2 4.34Å; R32-L185 VanDerWaalsContact O-CD2 3.25Å; R32-L185 WeakPolarHBondContact O-CD2 3.3Å; R32-A186 PolarHBondContact NH2-O 3.36Å; R32-P187 PolarHBondContact NH2-O 3.25Å
33	H	92.1	Very high	91.5	Very high	19 Å²	19	51.8 Å²	51.8	9%	0.088	25%	0.253	C	S	.	.	H	α-helix	trans	-69.5	-30.6	167.8	-79	88.7	0	0	0	112.3	F29 V30 K31 L53 F55 F160 F164	F29-H33 AromaticContact CE1-CE1 3.92Å; F29-H33 AromaticContact CE2-CE1 3.88Å; F29-H33 AromaticContact CZ-CE1 3.61Å; F29-H33 PolarHBondContact O-N 2.96Å; F29-H33 PolarHBondContact O-ND1 3.38Å; V30-H33 WeakPolarHBondContact O-CB 3.05Å; V30-H33 PolarHBondContact O-N 2.9Å; K31-H33 VanDerWaalsContact C-N 3.32Å; K31-H33 PolarHBondContact O-N 2.88Å; H33-L53 HydrophobicContact CB-CD1 4.01Å; H33-L53 HydrophobicContact CB-CD2 3.96Å; H33-F55 AromaticContact CD2-CZ 3.85Å; H33-F160 HydrophobicContact CB-CE1 4.21Å; H33-F160 HydrophobicContact CB-CZ 4.48Å; H33-F160 AromaticContact CD2-CD1 3.77Å; H33-F160 AromaticContact CD2-CE1 3.53Å; H33-F160 AromaticContact CE1-CD1 3.14Å; H33-F160 WeakPolarHBondContact CE1-CD1 3.42Å; H33-F160 AromaticContact CE1-CD2 3.59Å; H33-F160 AromaticContact CE1-CE1 3Å; H33-F160 WeakPolarHBondContact CE1-CE1 3.33Å; H33-F160 AromaticContact CE1-CE2 3.43Å; H33-F160 VanDerWaalsContact CE1-CE2 3.43Å; H33-F160 WeakPolarHBondContact CE1-CE2 3.41Å; H33-F160 AromaticContact CE1-CG 3.43Å; H33-F160 VanDerWaalsContact CE1-CG 3.43Å; H33-F160 WeakPolarHBondContact CE1-CG 3.34Å; H33-F160 AromaticContact CE1-CZ 3.13Å; H33-F160 WeakPolarHBondContact CE1-CZ 3.47Å; H33-F160 PolarHBondContact CE1-O 3.02Å; H33-F160 AromaticContact CG-CE1 3.36Å; H33-F160 AromaticContact CG-CZ 3.71Å; H33-F160 AromaticContact ND1-CD1 3.74Å; H33-F160 AromaticContact ND1-CE1 3.06Å; H33-F160 WeakPolarHBondContact ND1-CE1 3.36Å; H33-F160 AromaticContact ND1-CE2 3.63Å; H33-F160 AromaticContact ND1-CZ 2.97Å; H33-F160 WeakPolarHBondContact ND1-CZ 3.3Å; H33-F160 AromaticContact NE2-CD1 3.18Å; H33-F160 WeakPolarHBondContact NE2-CD1 3.49Å; H33-F160 AromaticContact NE2-CE1 3.33Å; H33-F160 VanDerWaalsContact NE2-CE1 3.33Å; H33-F160 WeakPolarHBondContact NE2-CE1 3.27Å; H33-F160 AromaticContact NE2-CG 3.72Å; H33-F160 AromaticContact NE2-CZ 3.95Å; H33-F160 PolarHBondContact NE2-O 3.39Å; H33-F164 AromaticContact CD2-CE2 3.85Å; H33-F164 AromaticContact CE1-CD2 3.82Å; H33-F164 AromaticContact CE1-CE2 3.28Å; H33-F164 WeakPolarHBondContact CE1-CE2 3.36Å; H33-F164 AromaticContact CG-CE2 3.96Å; H33-F164 AromaticContact ND1-CE2 3.59Å; H33-F164 AromaticContact NE2-CD2 3.51Å; H33-F164 AromaticContact NE2-CE2 3.41Å; H33-F164 WeakPolarHBondContact NE2-CE2 3.49Å
34	L	89.5	Confident	91.3	Very high	81 Å²	81	52.9 Å²	52.9	42%	0.424	26%	0.255	S	S	.	.	H	α-helix	trans	-80.5	-48.4	-177.2	-177.4	62.7	0	0	0	112.9	V30 K31 R32 H51 P52 L53	V30-L34 PolarHBondContact O-N 2.78Å; K31-L34 CarbonylContact O-C 3.47Å; K31-L34 WeakPolarHBondContact O-CA 3.15Å; K31-L34 WeakPolarHBondContact O-CB 3.41Å; K31-L34 PolarHBondContact O-N 3.26Å; R32-L34 VanDerWaalsContact C-N 3.3Å; L34-H51 HydrophobicContact CD2-CB 4.42Å; L34-P52 WeakPolarHBondContact CD1-O 3.45Å; L34-L53 HydrophobicContact CB-CD2 3.79Å; L34-L53 HydrophobicContact CD1-CD2 4.25Å
35	T	88.4	Confident	90.8	Very high	80 Å²	80	53.4 Å²	53.4	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-109.1	-13.2	-171.6	66.8	0	0	0	0	113.3	K31 E37	K31-T35 PolarHBondContact O-N 3.13Å; K31-T35 PolarHBondContact O-OG1 3.43Å; K31-T35 VanDerWaalsContact O-OG1 3.12Å; T35-E37 PolarHBondContact O-N 3.39Å; T35-E37 PolarHBondContact OG1-N 3.48Å
36	G	87.4	Confident	90.4	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.01	29%	0.285	C	S	.	.	S	Bend	trans	77.2	-15	-170.3	0	0	0	0	0	114.5	R32 A184 A186	R32-G36 WeakPolarHBondContact O-CA 3.4Å; R32-G36 PolarHBondContact O-N 2.91Å; G36-A184 WeakPolarHBondContact CA-O 3.12Å; G36-A186 WeakPolarHBondContact O-CB 3.41Å; G36-A186 PolarHBondContact O-N 2.93Å
37	E	85.8	Confident	90	Very high	135 Å²	135	59.2 Å²	59.2	63%	0.631	29%	0.287	S	S	*	.			trans	-84.9	148	-173.3	-62.4	-175.7	171.1	0	0	113.1	R32 T35	R32-E37 WeakPolarHBondContact CA-O 3.29Å; R32-E37 WeakPolarHBondContact CB-O 3.31Å; T35-E37 PolarHBondContact O-N 3.39Å; T35-E37 PolarHBondContact OG1-N 3.48Å
38	F	86.2	Confident	89.8	Confident	52 Å²	52	59.5 Å²	59.5	23%	0.228	29%	0.289	C	S	.	.			trans	-95	112.4	173.4	-176.5	-104.7	0	0	0	111.3	T28 K40 A154 K155 D189	T28-F38 HydrophobicContact CG2-CD2 3.55Å; T28-F38 HydrophobicContact CG2-CE2 3.35Å; T28-F38 HydrophobicContact CG2-CZ 4.18Å; F38-K40 HydrophobicContact CD1-CG 3.75Å; F38-K40 HydrophobicContact CE1-CG 3.91Å; F38-K40 PolarHBondContact O-N 2.75Å; F38-A154 WeakPolarHBondContact CD2-O 3.14Å; F38-K155 HydrophobicContact CD1-CG 4.24Å; F38-K155 HydrophobicContact CD2-CB 4.24Å; F38-K155 HydrophobicContact CD2-CG 4.23Å; F38-K155 HydrophobicContact CE1-CD 4.18Å; F38-K155 HydrophobicContact CE1-CG 3.81Å; F38-K155 VanDerWaalsContact CE2-CA 3.49Å; F38-K155 HydrophobicContact CE2-CB 3.62Å; F38-K155 HydrophobicContact CE2-CG 3.76Å; F38-K155 HydrophobicContact CG-CG 4.44Å; F38-K155 HydrophobicContact CZ-CB 3.82Å; F38-K155 HydrophobicContact CZ-CD 4.01Å; F38-K155 HydrophobicContact CZ-CG 3.56Å; F38-D189 WeakPolarHBondContact CD1-OD2 3.36Å
39	E	85.5	Confident	89.7	Confident	60 Å²	60	61.9 Å²	61.9	28%	0.28	30%	0.299	S	S	.	.			trans	-77.6	106.9	175.8	-168.7	167.7	-154.6	0	0	110.9	K31	K31-E39 WeakPolarHBondContact CD-OE2 3.44Å; K31-E39 WeakPolarHBondContact CE-OE2 3.46Å; K31-E39 IonicContact NZ-OE1 3.43Å; K31-E39 PolarHBondContact NZ-OE1 2.72Å; K31-E39 IonicContact NZ-OE2 3.05Å; K31-E39 PolarHBondContact NZ-OE2 3.1Å
40	K	86.4	Confident	89.6	Confident	155 Å²	155	63.8 Å²	63.8	67%	0.674	31%	0.31	S	S	*	.			trans	-75.8	-30.1	-177.7	-67.5	178.6	-179.6	174.5	0	113.5	F38 D189	F38-K40 HydrophobicContact CD1-CG 3.75Å; F38-K40 HydrophobicContact CE1-CG 3.91Å; F38-K40 PolarHBondContact O-N 2.75Å; K40-D189 WeakPolarHBondContact CE-OD2 3.35Å; K40-D189 IonicContact NZ-OD1 3.57Å; K40-D189 IonicContact NZ-OD2 3.34Å; K40-D189 PolarHBondContact NZ-OD2 3.32Å
41	K	89.6	Confident	89.6	Confident	138 Å²	138	64.8 Å²	64.8	60%	0.6	32%	0.315	S	S	*	.	S	Bend	trans	-86.8	129.3	-176.2	-171.9	-177	176.1	-162.1	0	109.2	E43	K41-E43 HydrophobicContact CD-CG 4.13Å; K41-E43 WeakPolarHBondContact CD-OE1 3.47Å; K41-E43 WeakPolarHBondContact CE-OE1 3.35Å; K41-E43 HydrophobicContact CG-CG 4.21Å; K41-E43 IonicContact NZ-OE1 2.67Å; K41-E43 PolarHBondContact NZ-OE1 3.13Å; K41-E43 PolarHBondContact O-N 3.31Å
42	Y	88.1	Confident	89.7	Confident	120 Å²	120	64.8 Å²	64.8	47%	0.471	32%	0.32	S	S	.	.			trans	-82.9	113.2	171.5	176.2	-112.4	0	0	0	110	G23 P44 Q72	G23-Y42 PolarHBondContact N-OH 2.81Å; Y42-P44 HydrophobicContact CD1-CG 4.45Å; Y42-P44 HydrophobicContact CE1-CB 4.42Å; Y42-P44 HydrophobicContact CE1-CG 3.69Å; Y42-Q72 PolarHBondContact OH-NE2 2.57Å
43	E	89.6	Confident	89.8	Confident	102 Å²	102	64.9 Å²	64.9	48%	0.477	32%	0.321	S	S	.	.			trans	-115.5	117.5	167.4	-62.2	-169.4	169.1	0	0	107.8	K41 T45	K41-E43 HydrophobicContact CD-CG 4.13Å; K41-E43 WeakPolarHBondContact CD-OE1 3.47Å; K41-E43 WeakPolarHBondContact CE-OE1 3.35Å; K41-E43 HydrophobicContact CG-CG 4.21Å; K41-E43 IonicContact NZ-OE1 2.67Å; K41-E43 PolarHBondContact NZ-OE1 3.13Å; K41-E43 PolarHBondContact O-N 3.31Å; E43-T45 PolarHBondContact O-N 3.18Å
44	P	90.1	Very high	89.9	Confident	49 Å²	49	66.5 Å²	66.5	32%	0.318	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-61.2	128.9	179.1	-19.2	28.6	0	0	0	111.3	Y42 I46 F75	Y42-P44 HydrophobicContact CD1-CG 4.45Å; Y42-P44 HydrophobicContact CE1-CB 4.42Å; Y42-P44 HydrophobicContact CE1-CG 3.69Å; P44-I46 PolarHBondContact O-N 2.82Å; P44-F75 HydrophobicContact CB-CD2 3.71Å; P44-F75 HydrophobicContact CB-CE2 3.61Å; P44-F75 HydrophobicContact CG-CE2 3.95Å
45	T	87.6	Confident	90.2	Very high	12 Å²	12	63 Å²	63	7%	0.074	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-59.3	135.4	168.5	-38.5	0	0	0	0	109.9	T27 E43 E49 D68 A70	T27-T45 PolarHBondContact OG1-OG1 3.47Å; E43-T45 PolarHBondContact O-N 3.18Å; T45-E49 HydrophobicContact CG2-CG 4.07Å; T45-D68 PolarHBondContact OG1-OD2 2.87Å; T45-A70 WeakPolarHBondContact O-CB 3.41Å
46	I	87.8	Confident	90.6	Very high	134 Å²	134	63 Å²	63	69%	0.687	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-103.8	117.3	174	-59.9	176.6	0	0	0	108	P44 V48	P44-I46 PolarHBondContact O-N 2.82Å; I46-V48 PolarHBondContact O-N 3.06Å; I46-V48 VanDerWaalsContact O-N 3.09Å
47	G	88.9	Confident	91.1	Very high	8 Å²	8	63.4 Å²	63.4	8%	0.082	31%	0.307	C	S	.	.	S	Bend	trans	67.2	-104.4	-176.3	0	0	0	0	0	112.3	A70 F75 Y82	G47-A70 WeakPolarHBondContact O-CB 3.1Å; G47-A70 PolarHBondContact O-N 3.29Å; G47-F75 PolarHBondContact N-O 3.12Å; G47-Y82 VanDerWaalsContact CA-OH 3.23Å; G47-Y82 WeakPolarHBondContact CA-OH 3.04Å
48	V	91.3	Very high	91.6	Very high	25 Å²	25	60.2 Å²	60.2	15%	0.152	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	140.7	-179.8	67.2	0	0	0	0	111.5	L3 I46 V50 W67 D68 T69 Y82	L3-V48 HydrophobicContact CD1-CG1 4.07Å; I46-V48 PolarHBondContact O-N 3.06Å; I46-V48 VanDerWaalsContact O-N 3.09Å; V48-V50 HydrophobicContact CG2-CG2 4.36Å; V48-W67 HydrophobicContact CG1-CE3 4.27Å; V48-W67 HydrophobicContact CG1-CZ3 4.38Å; V48-W67 HydrophobicContact CG2-CB 3.91Å; V48-W67 HydrophobicContact CG2-CD2 4.34Å; V48-W67 HydrophobicContact CG2-CE3 3.85Å; V48-W67 HydrophobicContact CG2-CG 4.43Å; V48-D68 VanDerWaalsContact CA-O 3.29Å; V48-D68 WeakPolarHBondContact CA-O 3.26Å; V48-D68 WeakPolarHBondContact CG2-O 3.13Å; V48-T69 HydrophobicContact CG2-CG2 4.37Å; V48-Y82 HydrophobicContact CB-CD1 3.92Å; V48-Y82 HydrophobicContact CB-CD2 4.19Å; V48-Y82 HydrophobicContact CB-CE1 3.89Å; V48-Y82 HydrophobicContact CB-CE2 4.14Å; V48-Y82 HydrophobicContact CB-CG 4.08Å; V48-Y82 HydrophobicContact CG1-CD1 3.51Å; V48-Y82 HydrophobicContact CG1-CE1 3.29Å; V48-Y82 HydrophobicContact CG1-CE2 4.42Å; V48-Y82 HydrophobicContact CG1-CG 4.19Å
49	E	92.8	Very high	92	Very high	75 Å²	75	61.9 Å²	61.9	35%	0.35	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.5	163.7	-67.6	-177.4	-176	0	0	109.6	T45 H51 D68	T45-E49 HydrophobicContact CG2-CG 4.07Å; E49-H51 WeakPolarHBondContact CB-NE2 3.28Å; E49-H51 IonicContact OE2-CE1 3.95Å; E49-H51 PolarHBondContact OE2-CE1 2.92Å; E49-H51 IonicContact OE2-NE2 2.7Å; E49-H51 PolarHBondContact OE2-NE2 3.02Å; E49-D68 PolarHBondContact N-O 3.33Å; E49-D68 PolarHBondContact O-N 2.84Å
50	V	94.2	Very high	92.5	Very high	39 Å²	39	60.8 Å²	60.8	24%	0.236	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.6	176.7	-175.5	0	0	0	0	112.1	L3 V48 Y65 C66 W67	L3-V50 HydrophobicContact CD1-CB 4.31Å; L3-V50 HydrophobicContact CD1-CG2 3.31Å; V48-V50 HydrophobicContact CG2-CG2 4.36Å; V50-Y65 HydrophobicContact CG1-CD1 4.32Å; V50-C66 WeakPolarHBondContact CA-O 3.5Å; V50-W67 HydrophobicContact CG2-CB 4.37Å; V50-W67 HydrophobicContact CG2-CD2 3.6Å; V50-W67 HydrophobicContact CG2-CE3 4.18Å; V50-W67 HydrophobicContact CG2-CG 3.71Å; V50-W67 HydrophobicContact CG2-CZ2 4.27Å
51	H	94.6	Very high	92.9	Very high	21 Å²	21	56.2 Å²	56.2	10%	0.097	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.9	-176.1	-61.3	-82.3	0	0	0	109.9	V30 L34 E49 L53 C66	V30-H51 HydrophobicContact CG1-CB 3.55Å; L34-H51 HydrophobicContact CD2-CB 4.42Å; E49-H51 WeakPolarHBondContact CB-NE2 3.28Å; E49-H51 IonicContact OE2-CE1 3.95Å; E49-H51 PolarHBondContact OE2-CE1 2.92Å; E49-H51 IonicContact OE2-NE2 2.7Å; E49-H51 PolarHBondContact OE2-NE2 3.02Å; H51-L53 PolarHBondContact O-N 3.38Å; H51-C66 PolarHBondContact N-O 3.18Å; H51-C66 PolarHBondContact O-N 3.32Å
52	P	95	Very high	93.3	Very high	53 Å²	53	50.3 Å²	50.3	34%	0.344	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	116	171.6	30	-31	0	0	0	109.8	L34 R63 Y65	L34-P52 WeakPolarHBondContact CD1-O 3.45Å; P52-R63 HydrophobicContact CB-CG 4.45Å; P52-Y65 HydrophobicContact CB-CD1 4.31Å; P52-Y65 HydrophobicContact CB-CE1 4.08Å
53	L	95	Very high	93.7	Very high	4 Å²	4	46 Å²	46	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.2	177	-57.9	-177.7	0	0	0	109.8	V30 H33 L34 H51 F55 R63 F64 C66 F164	V30-L53 HydrophobicContact CG1-CD1 4.34Å; H33-L53 HydrophobicContact CB-CD1 4.01Å; H33-L53 HydrophobicContact CB-CD2 3.96Å; L34-L53 HydrophobicContact CB-CD2 3.79Å; L34-L53 HydrophobicContact CD1-CD2 4.25Å; H51-L53 PolarHBondContact O-N 3.38Å; L53-F55 HydrophobicContact CB-CE2 3.81Å; L53-R63 CarbonylContact O-C 3.58Å; L53-R63 WeakPolarHBondContact O-CA 3.04Å; L53-F64 HydrophobicContact CB-CB 4.49Å; L53-F64 PolarHBondContact N-O 2.9Å; L53-F64 PolarHBondContact O-N 2.72Å; L53-C66 HydrophobicContact CD1-CB 4.04Å; L53-C66 HydrophobicContact CG-CB 4.34Å; L53-F164 HydrophobicContact CD1-CE1 3.77Å; L53-F164 HydrophobicContact CD1-CZ 3.68Å
54	D	94.6	Very high	94	Very high	53 Å²	53	41.1 Å²	41.1	28%	0.283	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.6	180	-74.4	-23.6	0	0	0	111.4	Y11 K61 I62 R63	Y11-D54 PolarHBondContact OH-OD1 2.97Å; D54-K61 VanDerWaalsContact CB-CE 3.42Å; D54-K61 VanDerWaalsContact CG-NZ 3.35Å; D54-K61 IonicContact OD1-NZ 2.54Å; D54-K61 WeakPolarHBondContact OD2-CE 3.48Å; D54-K61 IonicContact OD2-NZ 3.21Å; D54-K61 PolarHBondContact OD2-NZ 3.45Å; D54-I62 WeakPolarHBondContact CA-O 3.13Å; D54-R63 VanDerWaalsContact CG-NH2 3.33Å; D54-R63 WeakPolarHBondContact OD1-CB 3.42Å; D54-R63 IonicContact OD1-CZ 3.34Å; D54-R63 IonicContact OD1-NE 2.68Å; D54-R63 PolarHBondContact OD1-NE 3.1Å; D54-R63 IonicContact OD1-NH2 3.16Å; D54-R63 PolarHBondContact OD1-NH2 3.06Å; D54-R63 VanDerWaalsContact OD1-NH2 3.16Å; D54-R63 IonicContact OD2-CZ 3.7Å; D54-R63 IonicContact OD2-NE 3.82Å; D54-R63 IonicContact OD2-NH2 2.75Å; D54-R63 PolarHBondContact OD2-NH2 3.38Å
55	F	95.7	Very high	94.4	Very high	7 Å²	7	39.8 Å²	39.8	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.3	174	-63.2	-95	0	0	0	109.6	H33 L53 I62 F64 F164 F179 P183	H33-F55 AromaticContact CD2-CZ 3.85Å; L53-F55 HydrophobicContact CB-CE2 3.81Å; F55-I62 HydrophobicContact CB-CD1 4.42Å; F55-I62 HydrophobicContact CB-CG1 3.93Å; F55-I62 PolarHBondContact N-O 3.29Å; F55-I62 PolarHBondContact O-N 3.17Å; F55-F64 AromaticContact CD2-CD2 3.8Å; F55-F64 HydrophobicContact CD2-CD2 3.8Å; F55-F64 HydrophobicContact CD2-CE2 4.22Å; F55-F64 AromaticContact CE2-CD2 3.74Å; F55-F64 HydrophobicContact CE2-CD2 3.74Å; F55-F64 HydrophobicContact CE2-CE2 4.36Å; F55-F164 HydrophobicContact CE1-CB 3.97Å; F55-F164 HydrophobicContact CE1-CD2 4.35Å; F55-F164 HydrophobicContact CE1-CG 4.1Å; F55-F164 HydrophobicContact CE2-CB 4.16Å; F55-F164 AromaticContact CE2-CD1 3.69Å; F55-F164 HydrophobicContact CE2-CD1 3.69Å; F55-F164 HydrophobicContact CE2-CE1 4.21Å; F55-F164 AromaticContact CE2-CG 3.91Å; F55-F164 HydrophobicContact CE2-CG 3.91Å; F55-F164 HydrophobicContact CZ-CB 3.71Å; F55-F164 AromaticContact CZ-CD1 3.65Å; F55-F164 HydrophobicContact CZ-CD1 3.65Å; F55-F164 AromaticContact CZ-CD2 3.76Å; F55-F164 HydrophobicContact CZ-CD2 3.76Å; F55-F164 HydrophobicContact CZ-CE1 4.17Å; F55-F164 HydrophobicContact CZ-CE2 4.28Å; F55-F164 AromaticContact CZ-CG 3.41Å; F55-F164 HydrophobicContact CZ-CG 3.41Å; F55-F164 VanDerWaalsContact CZ-CG 3.41Å; F55-F164 HydrophobicContact CZ-CZ 4.46Å; F55-F179 HydrophobicContact CB-CD1 4Å; F55-F179 HydrophobicContact CB-CE1 3.62Å; F55-F179 HydrophobicContact CB-CZ 4.01Å; F55-F179 HydrophobicContact CD1-CD1 4.39Å; F55-F179 HydrophobicContact CD1-CD2 4.02Å; F55-F179 AromaticContact CD1-CE1 3.95Å; F55-F179 HydrophobicContact CD1-CE1 3.95Å; F55-F179 AromaticContact CD1-CE2 3.52Å; F55-F179 HydrophobicContact CD1-CE2 3.52Å; F55-F179 HydrophobicContact CD1-CG 4.44Å; F55-F179 AromaticContact CD1-CZ 3.48Å; F55-F179 HydrophobicContact CD1-CZ 3.48Å; F55-F179 VanDerWaalsContact CD1-CZ 3.48Å; F55-F179 AromaticContact CE1-CE2 3.91Å; F55-F179 HydrophobicContact CE1-CE2 3.91Å; F55-F179 HydrophobicContact CE1-CZ 4.1Å; F55-F179 AromaticContact CG-CE1 3.97Å; F55-F179 HydrophobicContact CG-CE1 3.97Å; F55-F179 HydrophobicContact CG-CE2 4.32Å; F55-F179 AromaticContact CG-CZ 3.81Å; F55-F179 HydrophobicContact CG-CZ 3.81Å; F55-P183 HydrophobicContact CE1-CG 4.45Å
56	F	96.2	Very high	94.8	Very high	81 Å²	81	39.3 Å²	39.3	36%	0.355	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.9	175.2	-65.8	-90.6	0	0	0	109	K61 F179 V180 E181	F56-K61 HydrophobicContact CD1-CB 4.32Å; F56-K61 HydrophobicContact CD1-CG 4.32Å; F56-K61 HydrophobicContact CE1-CB 4.37Å; F56-K61 HydrophobicContact CE1-CD 3.92Å; F56-K61 HydrophobicContact CE1-CG 4.14Å; F56-K61 HydrophobicContact CZ-CD 4.1Å; F56-F179 CarbonylContact O-C 3.57Å; F56-F179 VanDerWaalsContact O-CA 3.26Å; F56-F179 WeakPolarHBondContact O-CA 3.17Å; F56-V180 HydrophobicContact CB-CG2 3.84Å; F56-V180 WeakPolarHBondContact O-CG2 3.48Å; F56-V180 PolarHBondContact O-N 3.45Å; F56-E181 HydrophobicContact CB-CB 4.27Å; F56-E181 HydrophobicContact CB-CG 4.26Å; F56-E181 VanDerWaalsContact CD2-OE2 3.28Å; F56-E181 WeakPolarHBondContact CD2-OE2 3.44Å
57	T	97	Very high	95.2	Very high	8 Å²	8	33.4 Å²	33.4	5%	0.049	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	166.9	180	80.8	0	0	0	0	110.7	C59 G60 I62 L177 H178 F179	T57-C59 PolarHBondContact O-N 3.03Å; T57-C59 VanDerWaalsContact O-N 3.11Å; T57-C59 PolarHBondContact OG1-N 3.27Å; T57-G60 WeakPolarHBondContact CA-O 3.41Å; T57-G60 WeakPolarHBondContact CB-O 3.38Å; T57-G60 PolarHBondContact N-O 3.37Å; T57-G60 PolarHBondContact O-N 2.63Å; T57-G60 VanDerWaalsContact O-N 3.09Å; T57-G60 PolarHBondContact OG1-N 3.07Å; T57-G60 PolarHBondContact OG1-O 2.87Å; T57-I62 HydrophobicContact CG2-CD1 3.94Å; T57-I62 HydrophobicContact CG2-CG1 3.97Å; T57-I62 HydrophobicContact CG2-CG2 4.23Å; T57-L177 HydrophobicContact CG2-CD1 4.27Å; T57-L177 HydrophobicContact CG2-CD2 3.9Å; T57-L177 HydrophobicContact CG2-CG 4.18Å; T57-H178 CarbonylContact C-O 3.53Å; T57-H178 VanDerWaalsContact CA-O 3.23Å; T57-H178 WeakPolarHBondContact CA-O 3.28Å; T57-F179 HydrophobicContact CG2-CD1 4.02Å; T57-F179 HydrophobicContact CG2-CE1 4.15Å
58	N	97	Very high	95.5	Very high	68 Å²	68	33 Å²	33	36%	0.364	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-11.6	169.8	65.3	-58.4	0	0	0	114.2	L177 H178 V180	N58-L177 VanDerWaalsContact OD1-CA 3.31Å; N58-L177 WeakPolarHBondContact OD1-CA 3.2Å; N58-H178 VanDerWaalsContact CB-CE1 3.42Å; N58-H178 WeakPolarHBondContact CB-CE1 3.29Å; N58-H178 PolarHBondContact N-O 3.21Å; N58-H178 PolarHBondContact OD1-N 2.93Å; N58-H178 PolarHBondContact OD1-O 3.21Å; N58-V180 HydrophobicContact CB-CG1 4.03Å
59	C	94.7	Very high	95.6	Very high	88 Å²	88	32 Å²	32	60%	0.595	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	9.6	177.4	-59.6	0	0	0	0	112.6	T57	T57-C59 PolarHBondContact O-N 3.03Å; T57-C59 VanDerWaalsContact O-N 3.11Å; T57-C59 PolarHBondContact OG1-N 3.27Å
60	G	95.9	Very high	95.4	Very high	37 Å²	37	28.5 Å²	28.5	38%	0.381	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	109.9	-174.3	-177.3	0	0	0	0	0	113.6	T57	T57-G60 WeakPolarHBondContact CA-O 3.41Å; T57-G60 WeakPolarHBondContact CB-O 3.38Å; T57-G60 PolarHBondContact N-O 3.37Å; T57-G60 PolarHBondContact O-N 2.63Å; T57-G60 VanDerWaalsContact O-N 3.09Å; T57-G60 PolarHBondContact OG1-N 3.07Å; T57-G60 PolarHBondContact OG1-O 2.87Å
61	K	95.9	Very high	94.7	Very high	59 Å²	59	27.2 Å²	27.2	26%	0.257	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	138.4	-176.6	-169.7	177.5	-179.8	-178.9	0	111.3	Y11 D54 F56	Y11-K61 HydrophobicContact CD1-CD 4.38Å; Y11-K61 HydrophobicContact CD2-CB 4.13Å; Y11-K61 HydrophobicContact CD2-CD 4.26Å; Y11-K61 HydrophobicContact CD2-CG 3.95Å; Y11-K61 WeakPolarHBondContact CD2-O 3.38Å; Y11-K61 HydrophobicContact CE1-CD 3.95Å; Y11-K61 HydrophobicContact CE2-CB 4.4Å; Y11-K61 HydrophobicContact CE2-CD 3.75Å; Y11-K61 HydrophobicContact CE2-CG 3.73Å; Y11-K61 HydrophobicContact CG-CB 4.31Å; Y11-K61 HydrophobicContact CG-CG 4.48Å; Y11-K61 WeakPolarHBondContact OH-CE 3.33Å; Y11-K61 PolarHBondContact OH-NZ 3.08Å; D54-K61 VanDerWaalsContact CB-CE 3.42Å; D54-K61 VanDerWaalsContact CG-NZ 3.35Å; D54-K61 IonicContact OD1-NZ 2.54Å; D54-K61 WeakPolarHBondContact OD2-CE 3.48Å; D54-K61 IonicContact OD2-NZ 3.21Å; D54-K61 PolarHBondContact OD2-NZ 3.45Å; F56-K61 HydrophobicContact CD1-CB 4.32Å; F56-K61 HydrophobicContact CD1-CG 4.32Å; F56-K61 HydrophobicContact CE1-CB 4.37Å; F56-K61 HydrophobicContact CE1-CD 3.92Å; F56-K61 HydrophobicContact CE1-CG 4.14Å; F56-K61 HydrophobicContact CZ-CD 4.1Å
62	I	96.3	Very high	93.8	Very high	13 Å²	13	28.7 Å²	28.7	7%	0.067	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.6	169.9	66.8	173.9	0	0	0	110.2	P12 D54 F55 T57 F64 A168 F179	P12-I62 HydrophobicContact CB-CG2 4.34Å; P12-I62 WeakPolarHBondContact O-CA 3.33Å; D54-I62 WeakPolarHBondContact CA-O 3.13Å; F55-I62 HydrophobicContact CB-CD1 4.42Å; F55-I62 HydrophobicContact CB-CG1 3.93Å; F55-I62 PolarHBondContact N-O 3.29Å; F55-I62 PolarHBondContact O-N 3.17Å; T57-I62 HydrophobicContact CG2-CD1 3.94Å; T57-I62 HydrophobicContact CG2-CG1 3.97Å; T57-I62 HydrophobicContact CG2-CG2 4.23Å; I62-F64 HydrophobicContact CD1-CE2 4Å; I62-F64 HydrophobicContact CD1-CZ 4.42Å; I62-A168 HydrophobicContact CD1-CB 3.45Å; I62-A168 VanDerWaalsContact CD1-CB 3.45Å; I62-F179 HydrophobicContact CD1-CE1 4.43Å
63	R	96.3	Very high	92.9	Very high	29 Å²	29	33.9 Å²	33.9	11%	0.109	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.2	173.5	176.9	167.8	-71.4	-171.7	-5.4	112.1	V9 Y11 P12 S13 F14 P52 L53 D54 Y65	V9-R63 VanDerWaalsContact CG1-NH1 3.29Å; Y11-R63 HydrophobicContact CE2-CB 3.8Å; Y11-R63 VanDerWaalsContact OH-CZ 3.32Å; Y11-R63 PolarHBondContact OH-NE 2.74Å; Y11-R63 PolarHBondContact OH-NH2 2.9Å; Y11-R63 VanDerWaalsContact OH-NH2 3.11Å; P12-R63 PolarHBondContact O-N 3.04Å; S13-R63 CarbonylContact C-O 3.59Å; S13-R63 WeakPolarHBondContact CA-O 3.21Å; F14-R63 PolarHBondContact N-O 2.79Å; P52-R63 HydrophobicContact CB-CG 4.45Å; L53-R63 CarbonylContact O-C 3.58Å; L53-R63 WeakPolarHBondContact O-CA 3.04Å; D54-R63 VanDerWaalsContact CG-NH2 3.33Å; D54-R63 WeakPolarHBondContact OD1-CB 3.42Å; D54-R63 IonicContact OD1-CZ 3.34Å; D54-R63 IonicContact OD1-NE 2.68Å; D54-R63 PolarHBondContact OD1-NE 3.1Å; D54-R63 IonicContact OD1-NH2 3.16Å; D54-R63 PolarHBondContact OD1-NH2 3.06Å; D54-R63 VanDerWaalsContact OD1-NH2 3.16Å; D54-R63 IonicContact OD2-CZ 3.7Å; D54-R63 IonicContact OD2-NE 3.82Å; D54-R63 IonicContact OD2-NH2 2.75Å; D54-R63 PolarHBondContact OD2-NH2 3.38Å; R63-Y65 VanDerWaalsContact CD-OH 3.29Å; R63-Y65 WeakPolarHBondContact CD-OH 3.42Å; R63-Y65 HydrophobicContact CG-CD2 4.47Å; R63-Y65 HydrophobicContact CG-CE1 4.44Å; R63-Y65 HydrophobicContact CG-CE2 4.24Å; R63-Y65 PolarHBondContact NH1-OH 2.86Å
64	F	97.4	Very high	92.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.1	159.7	-68.8	-74.9	0	0	0	109.4	F14 L16 L53 F55 I62 C66 F164 L167 A168 L171	F14-F64 HydrophobicContact CB-CD1 3.92Å; F14-F64 HydrophobicContact CB-CE1 4.03Å; F14-F64 HydrophobicContact CD2-CE1 4.27Å; F14-F64 HydrophobicContact CG-CE1 4.46Å; F14-F64 CarbonylContact O-C 3.59Å; F14-F64 WeakPolarHBondContact O-CA 3.33Å; L16-F64 HydrophobicContact CB-CB 4.23Å; L16-F64 HydrophobicContact CB-CD1 3.92Å; L16-F64 HydrophobicContact CB-CG 4.43Å; L16-F64 HydrophobicContact CD1-CB 4.46Å; L16-F64 HydrophobicContact CD1-CD1 3.87Å; L16-F64 HydrophobicContact CD1-CE1 4.28Å; L16-F64 HydrophobicContact CD1-CG 4.14Å; L53-F64 HydrophobicContact CB-CB 4.49Å; L53-F64 PolarHBondContact N-O 2.9Å; L53-F64 PolarHBondContact O-N 2.72Å; F55-F64 AromaticContact CD2-CD2 3.8Å; F55-F64 HydrophobicContact CD2-CD2 3.8Å; F55-F64 HydrophobicContact CD2-CE2 4.22Å; F55-F64 AromaticContact CE2-CD2 3.74Å; F55-F64 HydrophobicContact CE2-CD2 3.74Å; F55-F64 HydrophobicContact CE2-CE2 4.36Å; I62-F64 HydrophobicContact CD1-CE2 4Å; I62-F64 HydrophobicContact CD1-CZ 4.42Å; F64-C66 PolarHBondContact O-N 2.84Å; F64-F164 AromaticContact CD2-CD1 3.7Å; F64-F164 HydrophobicContact CD2-CD1 3.7Å; F64-F164 HydrophobicContact CD2-CE1 4.38Å; F64-F164 HydrophobicContact CE2-CB 4.3Å; F64-F164 AromaticContact CE2-CD1 3.99Å; F64-F164 HydrophobicContact CE2-CD1 3.99Å; F64-F164 HydrophobicContact CG-CD1 4.26Å; F64-L167 HydrophobicContact CE1-CB 4.33Å; F64-L167 HydrophobicContact CZ-CB 4.08Å; F64-A168 HydrophobicContact CZ-CB 4.27Å; F64-L171 HydrophobicContact CE1-CD1 3.64Å; F64-L171 HydrophobicContact CZ-CD1 4.2Å
65	Y	97	Very high	91	Very high	22 Å²	22	41.8 Å²	41.8	9%	0.086	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	96.4	159.2	-70.9	-70.3	0	0	0	107	Q6 Q7 F14 L16 V50 P52 R63 W67	Q6-Y65 HydrophobicContact CB-CE1 4.38Å; Q6-Y65 HydrophobicContact CG-CD1 4.28Å; Q6-Y65 HydrophobicContact CG-CE1 4.36Å; Q7-Y65 PolarHBondContact O-OH 3.4Å; F14-Y65 PolarHBondContact O-N 3.06Å; L16-Y65 PolarHBondContact N-O 3.31Å; V50-Y65 HydrophobicContact CG1-CD1 4.32Å; P52-Y65 HydrophobicContact CB-CD1 4.31Å; P52-Y65 HydrophobicContact CB-CE1 4.08Å; R63-Y65 VanDerWaalsContact CD-OH 3.29Å; R63-Y65 WeakPolarHBondContact CD-OH 3.42Å; R63-Y65 HydrophobicContact CG-CD2 4.47Å; R63-Y65 HydrophobicContact CG-CE1 4.44Å; R63-Y65 HydrophobicContact CG-CE2 4.24Å; R63-Y65 PolarHBondContact NH1-OH 2.86Å; Y65-W67 PolarHBondContact O-N 3.38Å
66	C	96.8	Very high	89.4	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111.5	-178.3	-170.9	0	0	0	0	110.1	L16 V30 V50 H51 L53 F64 D68	L16-C66 HydrophobicContact CD2-CB 4.49Å; L16-C66 CarbonylContact O-C 3.48Å; L16-C66 WeakPolarHBondContact O-CA 3.25Å; V30-C66 HydrophobicContact CG1-CB 4.19Å; V30-C66 WeakPolarHBondContact CG2-SG 3.15Å; V50-C66 WeakPolarHBondContact CA-O 3.5Å; H51-C66 PolarHBondContact N-O 3.18Å; H51-C66 PolarHBondContact O-N 3.32Å; L53-C66 HydrophobicContact CD1-CB 4.04Å; L53-C66 HydrophobicContact CG-CB 4.34Å; F64-C66 PolarHBondContact O-N 2.84Å; C66-D68 PolarHBondContact O-N 2.92Å
67	W	95.9	Very high	88	Confident	10 Å²	10	40.8 Å²	40.8	4%	0.038	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	94.1	174.1	-71	56.4	0	0	0	108.2	L3 K15 L16 I18 V48 V50 Y65 T69 Y82	L3-W67 HydrophobicContact CD1-CE3 4.3Å; L3-W67 HydrophobicContact CD1-CH2 3.65Å; L3-W67 HydrophobicContact CD1-CZ2 4.06Å; L3-W67 HydrophobicContact CD1-CZ3 3.79Å; L3-W67 HydrophobicContact CG-CH2 3.83Å; L3-W67 HydrophobicContact CG-CZ2 4.43Å; L3-W67 HydrophobicContact CG-CZ3 4.25Å; K15-W67 HydrophobicContact CD-CD2 4.44Å; K15-W67 HydrophobicContact CD-CZ2 4.35Å; K15-W67 HydrophobicContact CG-CG 4.43Å; L16-W67 PolarHBondContact O-N 2.95Å; I18-W67 WeakPolarHBondContact CG2-O 3.46Å; I18-W67 PolarHBondContact N-O 3.39Å; V48-W67 HydrophobicContact CG1-CE3 4.27Å; V48-W67 HydrophobicContact CG1-CZ3 4.38Å; V48-W67 HydrophobicContact CG2-CB 3.91Å; V48-W67 HydrophobicContact CG2-CD2 4.34Å; V48-W67 HydrophobicContact CG2-CE3 3.85Å; V48-W67 HydrophobicContact CG2-CG 4.43Å; V50-W67 HydrophobicContact CG2-CB 4.37Å; V50-W67 HydrophobicContact CG2-CD2 3.6Å; V50-W67 HydrophobicContact CG2-CE3 4.18Å; V50-W67 HydrophobicContact CG2-CG 3.71Å; V50-W67 HydrophobicContact CG2-CZ2 4.27Å; Y65-W67 PolarHBondContact O-N 3.38Å; W67-T69 PolarHBondContact O-N 2.89Å; W67-Y82 HydrophobicContact CE3-CD1 4.34Å; W67-Y82 HydrophobicContact CZ3-CD1 4.13Å
68	D	95.2	Very high	86.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	106	174.7	-177.6	35.6	0	0	0	110.4	I18 K26 T27 T45 V48 E49 C66	I18-D68 VanDerWaalsContact CG2-CA 3.5Å; I18-D68 HydrophobicContact CG2-CB 4.09Å; K26-D68 VanDerWaalsContact CB-OD1 3.31Å; K26-D68 WeakPolarHBondContact CB-OD1 2.97Å; T27-D68 VanDerWaalsContact CA-OD2 3.28Å; T27-D68 WeakPolarHBondContact CA-OD2 3.49Å; T27-D68 VanDerWaalsContact CB-OD2 3.23Å; T27-D68 WeakPolarHBondContact CB-OD2 3.43Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.47Å; T27-D68 PolarHBondContact OG1-OD2 3.16Å; T45-D68 PolarHBondContact OG1-OD2 2.87Å; V48-D68 VanDerWaalsContact CA-O 3.29Å; V48-D68 WeakPolarHBondContact CA-O 3.26Å; V48-D68 WeakPolarHBondContact CG2-O 3.13Å; E49-D68 PolarHBondContact N-O 3.33Å; E49-D68 PolarHBondContact O-N 2.84Å; C66-D68 PolarHBondContact O-N 2.92Å
69	T	93	Very high	85.9	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.025	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	149.2	-173.7	66.9	0	0	0	0	112.7	V17 I18 V19 K26 V48 W67 G71 Y82	V17-T69 HydrophobicContact CG1-CG2 4Å; I18-T69 PolarHBondContact O-N 3.31Å; I18-T69 PolarHBondContact O-OG1 3.27Å; V19-T69 HydrophobicContact CG1-CG2 4.46Å; K26-T69 WeakPolarHBondContact CE-O 3.43Å; V48-T69 HydrophobicContact CG2-CG2 4.37Å; W67-T69 PolarHBondContact O-N 2.89Å; T69-G71 PolarHBondContact O-N 3.19Å; T69-Y82 HydrophobicContact CG2-CD2 4.45Å
70	A	89.3	Confident	85.3	Confident	2 Å²	2	45.2 Å²	45.2	2%	0.017	24%	0.241	C	C	.	.			trans	-63.3	118	173	0	0	0	0	0	112.2	T45 G47 Q72 F75	T45-A70 WeakPolarHBondContact O-CB 3.41Å; G47-A70 WeakPolarHBondContact O-CB 3.1Å; G47-A70 PolarHBondContact O-N 3.29Å; A70-Q72 VanDerWaalsContact C-N 3.34Å; A70-F75 HydrophobicContact CB-CB 3.88Å; A70-F75 WeakPolarHBondContact CB-O 3.41Å
71	G	79.2	Confident	85	Confident	12 Å²	12	45.1 Å²	45.1	12%	0.124	24%	0.24	C	C	.	.			trans	-80.1	-12.2	179.6	0	0	0	0	0	114.9	G20 G22 T69	G20-G71 WeakPolarHBondContact O-CA 3.47Å; G22-G71 VanDerWaalsContact N-C 3.31Å; G22-G71 PolarHBondContact N-O 3.29Å; G22-G71 VanDerWaalsContact N-O 3.11Å; T69-G71 PolarHBondContact O-N 3.19Å
72	Q	77.1	Confident	84.8	Confident	52 Å²	52	44.5 Å²	44.5	24%	0.243	24%	0.236	C	C	.	.	S	Bend	trans	-95.9	134.2	176.5	-59.9	-171.7	6.7	0	0	109.5	Y42 A70 K74 F75 G76 R79	Y42-Q72 PolarHBondContact OH-NE2 2.57Å; A70-Q72 VanDerWaalsContact C-N 3.34Å; Q72-K74 VanDerWaalsContact C-N 3.32Å; Q72-K74 HydrophobicContact CB-CG 4.26Å; Q72-K74 PolarHBondContact O-N 3.43Å; Q72-F75 HydrophobicContact CB-CB 4.48Å; Q72-F75 HydrophobicContact CB-CD2 3.76Å; Q72-F75 HydrophobicContact CB-CE2 4.48Å; Q72-F75 HydrophobicContact CB-CG 4.44Å; Q72-F75 HydrophobicContact CG-CD2 4.23Å; Q72-F75 CarbonylContact O-C 3.52Å; Q72-F75 PolarHBondContact O-N 3.23Å; Q72-G76 PolarHBondContact O-N 2.68Å; Q72-R79 VanDerWaalsContact C-NH2 3.26Å; Q72-R79 PolarHBondContact O-NH2 2.67Å
73	E	75.2	Confident	84.6	Confident	162 Å²	162	44 Å²	44	76%	0.757	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-57.2	-45.1	-176.6	-63	-171.9	161.9	0	0	112.3	F75 G76 R79	E73-F75 PolarHBondContact O-N 3.22Å; E73-G76 PolarHBondContact O-N 3.33Å; E73-R79 VanDerWaalsContact CA-NH2 3.26Å
74	K	77.5	Confident	84.5	Confident	162 Å²	162	46 Å²	46	70%	0.704	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-58.9	-19.2	176.4	63.5	174.9	176.7	175.8	0	114.9	Q72	Q72-K74 VanDerWaalsContact C-N 3.32Å; Q72-K74 HydrophobicContact CB-CG 4.26Å; Q72-K74 PolarHBondContact O-N 3.43Å
75	F	72.8	Confident	84.3	Confident	61 Å²	61	53.4 Å²	53.4	27%	0.268	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-110.3	-1.4	178.6	-58.8	-41.9	0	0	0	112.6	P44 G47 A70 Q72 E73 G77	P44-F75 HydrophobicContact CB-CD2 3.71Å; P44-F75 HydrophobicContact CB-CE2 3.61Å; P44-F75 HydrophobicContact CG-CE2 3.95Å; G47-F75 PolarHBondContact N-O 3.12Å; A70-F75 HydrophobicContact CB-CB 3.88Å; A70-F75 WeakPolarHBondContact CB-O 3.41Å; Q72-F75 HydrophobicContact CB-CB 4.48Å; Q72-F75 HydrophobicContact CB-CD2 3.76Å; Q72-F75 HydrophobicContact CB-CE2 4.48Å; Q72-F75 HydrophobicContact CB-CG 4.44Å; Q72-F75 HydrophobicContact CG-CD2 4.23Å; Q72-F75 CarbonylContact O-C 3.52Å; Q72-F75 PolarHBondContact O-N 3.23Å; E73-F75 PolarHBondContact O-N 3.22Å; F75-G77 PolarHBondContact O-N 2.77Å
76	G	60.7	Low	84.3	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.01	28%	0.28	C	S	.	.			trans	-71.5	-24.2	-172.7	0	0	0	0	0	114.9	Q72 E73 L78 R79 Y82	Q72-G76 PolarHBondContact O-N 2.68Å; E73-G76 PolarHBondContact O-N 3.33Å; G76-L78 PolarHBondContact O-N 3.01Å; G76-R79 VanDerWaalsContact O-CG 3.3Å; G76-R79 WeakPolarHBondContact O-CG 2.9Å; G76-R79 PolarHBondContact O-N 3.38Å; G76-Y82 WeakPolarHBondContact O-CE2 3.18Å
77	G	68.1	Low	84.3	Confident	66 Å²	66	56.6 Å²	56.6	68%	0.68	30%	0.298	S	S	*	.	S	Bend	trans	50.3	-136.5	-176.6	0	0	0	0	0	112.8	F75 R79	F75-G77 PolarHBondContact O-N 2.77Å; G77-R79 VanDerWaalsContact C-N 3.28Å; G77-R79 PolarHBondContact O-N 2.82Å
78	L	71.5	Confident	84.4	Confident	144 Å²	144	56.1 Å²	56.1	75%	0.754	30%	0.296	S	S	*	.	S	Bend	trans	-79.7	66.8	175.5	-67.3	169.6	0	0	0	111.3	G76 D80 G81 Y82	G76-L78 PolarHBondContact O-N 3.01Å; L78-D80 VanDerWaalsContact C-N 3.32Å; L78-D80 PolarHBondContact O-N 3.03Å; L78-G81 WeakPolarHBondContact O-CA 3.33Å; L78-G81 PolarHBondContact O-N 3.27Å; L78-Y82 PolarHBondContact O-N 3.09Å
79	R	77.4	Confident	84.6	Confident	45 Å²	45	56.1 Å²	56.1	17%	0.17	30%	0.296	C	S	.	.	H	α-helix	trans	-47.4	-50.2	-176	-73	-176.2	167.5	177.2	-4.8	113.4	Q72 E73 G76 G77 G81 Y82 W107	Q72-R79 VanDerWaalsContact C-NH2 3.26Å; Q72-R79 PolarHBondContact O-NH2 2.67Å; E73-R79 VanDerWaalsContact CA-NH2 3.26Å; G76-R79 VanDerWaalsContact O-CG 3.3Å; G76-R79 WeakPolarHBondContact O-CG 2.9Å; G76-R79 PolarHBondContact O-N 3.38Å; G77-R79 VanDerWaalsContact C-N 3.28Å; G77-R79 PolarHBondContact O-N 2.82Å; R79-G81 PolarHBondContact O-N 3Å; R79-Y82 WeakPolarHBondContact O-CB 3Å; R79-Y82 PolarHBondContact O-N 2.98Å; R79-W107 VanDerWaalsContact CZ-CH2 3.46Å
80	D	83.1	Confident	84.9	Confident	67 Å²	67	55.9 Å²	55.9	36%	0.358	30%	0.295	S	S	.	.	H	α-helix	trans	-58.4	-34.6	179.7	-66.1	4.1	0	0	0	112.1	L78 Y82 Y83 I84 V114	L78-D80 VanDerWaalsContact C-N 3.32Å; L78-D80 PolarHBondContact O-N 3.03Å; D80-Y82 VanDerWaalsContact C-N 3.25Å; D80-Y82 PolarHBondContact O-N 2.93Å; D80-Y83 PolarHBondContact O-N 2.76Å; D80-Y83 VanDerWaalsContact O-N 3.07Å; D80-I84 PolarHBondContact O-N 3.2Å; D80-V114 HydrophobicContact CB-CG2 3.98Å
81	G	89.1	Confident	85.3	Confident	35 Å²	35	55.9 Å²	55.9	36%	0.361	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-30.1	177.1	0	0	0	0	0	113.4	L78 R79 Y83	L78-G81 WeakPolarHBondContact O-CA 3.33Å; L78-G81 PolarHBondContact O-N 3.27Å; R79-G81 PolarHBondContact O-N 3Å; G81-Y83 VanDerWaalsContact C-N 3.33Å
82	Y	91.1	Very high	86.2	Confident	47 Å²	47	55.3 Å²	55.3	18%	0.184	29%	0.289	C	S	.	.	H	α-helix	trans	-74	-25.9	175.3	-56.5	-39.5	0	0	0	112.4	K15 G47 V48 W67 T69 G76 L78 R79 D80	K15-Y82 VanDerWaalsContact CE-O 3.23Å; K15-Y82 WeakPolarHBondContact CE-O 3.06Å; K15-Y82 PolarHBondContact NZ-O 2.85Å; G47-Y82 VanDerWaalsContact CA-OH 3.23Å; G47-Y82 WeakPolarHBondContact CA-OH 3.04Å; V48-Y82 HydrophobicContact CB-CD1 3.92Å; V48-Y82 HydrophobicContact CB-CD2 4.19Å; V48-Y82 HydrophobicContact CB-CE1 3.89Å; V48-Y82 HydrophobicContact CB-CE2 4.14Å; V48-Y82 HydrophobicContact CB-CG 4.08Å; V48-Y82 HydrophobicContact CG1-CD1 3.51Å; V48-Y82 HydrophobicContact CG1-CE1 3.29Å; V48-Y82 HydrophobicContact CG1-CE2 4.42Å; V48-Y82 HydrophobicContact CG1-CG 4.19Å; W67-Y82 HydrophobicContact CE3-CD1 4.34Å; W67-Y82 HydrophobicContact CZ3-CD1 4.13Å; T69-Y82 HydrophobicContact CG2-CD2 4.45Å; G76-Y82 WeakPolarHBondContact O-CE2 3.18Å; L78-Y82 PolarHBondContact O-N 3.09Å; R79-Y82 WeakPolarHBondContact O-CB 3Å; R79-Y82 PolarHBondContact O-N 2.98Å; D80-Y82 VanDerWaalsContact C-N 3.25Å; D80-Y82 PolarHBondContact O-N 2.93Å
83	Y	93.5	Very high	87.2	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-78.2	-29.5	-179.3	-55.1	-21.4	0	0	0	112.7	V17 V19 D80 G81 H85 G86 D110 L111 V114 C115	V17-Y83 HydrophobicContact CG1-CD1 3.67Å; V17-Y83 HydrophobicContact CG1-CE1 3.9Å; V19-Y83 HydrophobicContact CG1-CD1 4.48Å; V19-Y83 HydrophobicContact CG1-CE1 3.55Å; D80-Y83 PolarHBondContact O-N 2.76Å; D80-Y83 VanDerWaalsContact O-N 3.07Å; G81-Y83 VanDerWaalsContact C-N 3.33Å; Y83-H85 PolarHBondContact O-N 3.1Å; Y83-G86 WeakPolarHBondContact O-CA 3.14Å; Y83-G86 PolarHBondContact O-N 3.34Å; Y83-D110 HydrophobicContact CE2-CB 4.22Å; Y83-L111 HydrophobicContact CD1-CD1 4.12Å; Y83-L111 HydrophobicContact CD2-CD1 4.48Å; Y83-L111 HydrophobicContact CG-CD1 4.1Å; Y83-V114 HydrophobicContact CD2-CB 4.31Å; Y83-V114 HydrophobicContact CD2-CG2 4.03Å; Y83-C115 PolarHBondContact O-SG 3.2Å
84	I	93.1	Very high	88.3	Confident	71 Å²	71	45.6 Å²	45.6	36%	0.364	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	127.3	-176.4	-57.9	177.4	0	0	0	111.7	K15 D80 G86 V114	K15-I84 PolarHBondContact NZ-O 2.94Å; D80-I84 PolarHBondContact O-N 3.2Å; I84-G86 VanDerWaalsContact C-N 3.26Å; I84-G86 PolarHBondContact O-N 2.92Å; I84-V114 HydrophobicContact CG1-CG1 3.99Å
85	H	93.6	Very high	89.3	Confident	156 Å²	156	37.9 Å²	37.9	72%	0.722	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	20.5	-175.5	-47.5	-55.2	0	0	0	115.6	Y83 Q87	Y83-H85 PolarHBondContact O-N 3.1Å; H85-Q87 PolarHBondContact O-N 3.29Å
86	G	96.1	Very high	90.5	Very high	9 Å²	9	36.8 Å²	36.8	9%	0.093	21%	0.208	C	C	.	.			trans	-57	134.8	167.1	0	0	0	0	0	110.3	Y83 I84 I118	Y83-G86 WeakPolarHBondContact O-CA 3.14Å; Y83-G86 PolarHBondContact O-N 3.34Å; I84-G86 VanDerWaalsContact C-N 3.26Å; I84-G86 PolarHBondContact O-N 2.92Å; G86-I118 WeakPolarHBondContact O-CG2 3.44Å
87	Q	97.8	Very high	92.2	Very high	80 Å²	80	38.6 Å²	38.6	37%	0.374	22%	0.221	S	C	.	.			trans	-105.8	-22.9	179.2	-68.8	168.6	-85.2	0	0	111.7	F14 K15 H85 I118 P119 L171	F14-Q87 VanDerWaalsContact CA-OE1 3.29Å; K15-Q87 PolarHBondContact O-N 2.88Å; H85-Q87 PolarHBondContact O-N 3.29Å; Q87-I118 WeakPolarHBondContact O-CB 3.43Å; Q87-P119 WeakPolarHBondContact O-CD 3.42Å; Q87-L171 HydrophobicContact CB-CD2 4.32Å
88	C	98.6	Very high	93.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	165.6	173.3	58.5	0	0	0	0	110.2	K15 L16 V17 P119 L167 L171	K15-C88 PolarHBondContact O-N 3.48Å; L16-C88 WeakPolarHBondContact CA-O 3.38Å; V17-C88 PolarHBondContact N-O 3.5Å; C88-P119 CarbonylContact C-O 3.57Å; C88-P119 VanDerWaalsContact CA-O 3.26Å; C88-P119 WeakPolarHBondContact CA-O 3.4Å; C88-P119 WeakPolarHBondContact CB-O 3.29Å; C88-L167 HydrophobicContact CB-CD1 4.18Å; C88-L167 HydrophobicContact CB-CD2 3.8Å; C88-L167 HydrophobicContact CB-CG 4.39Å; C88-L171 HydrophobicContact CB-CD1 4.05Å
89	A	98.5	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	158.8	177	0	0	0	0	0	114.6	V17 L111 I118 P119 I120 V121	V17-A89 HydrophobicContact CB-CB 4.43Å; V17-A89 CarbonylContact O-C 3.58Å; V17-A89 WeakPolarHBondContact O-CA 3.42Å; V17-A89 VanDerWaalsContact O-CB 3.3Å; V17-A89 WeakPolarHBondContact O-CB 3.43Å; A89-L111 HydrophobicContact CB-CD1 4.2Å; A89-L111 HydrophobicContact CB-CD2 3.4Å; A89-L111 VanDerWaalsContact CB-CD2 3.4Å; A89-L111 HydrophobicContact CB-CG 4.43Å; A89-I118 HydrophobicContact CB-CD1 4.06Å; A89-P119 PolarHBondContact N-O 2.94Å; A89-I120 HydrophobicContact CB-CG1 4.2Å; A89-I120 WeakPolarHBondContact O-CA 3.39Å; A89-V121 PolarHBondContact O-N 2.81Å
90	I	98.7	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.8	166.5	-64	175.7	0	0	0	107.8	L16 V17 I18 V19 F29 V121 C123 P163 F164 L167	L16-I90 HydrophobicContact CD1-CD1 4.11Å; L16-I90 HydrophobicContact CD1-CG1 4.37Å; L16-I90 HydrophobicContact CD2-CD1 4.22Å; L16-I90 HydrophobicContact CD2-CG1 4.28Å; V17-I90 PolarHBondContact O-N 2.95Å; I18-I90 WeakPolarHBondContact CA-O 3.31Å; I18-I90 HydrophobicContact CB-CB 4.4Å; I18-I90 HydrophobicContact CD1-CB 4.38Å; I18-I90 HydrophobicContact CD1-CG2 4.15Å; I18-I90 HydrophobicContact CG1-CB 4.01Å; I18-I90 HydrophobicContact CG1-CG2 4.07Å; V19-I90 PolarHBondContact N-O 3.02Å; F29-I90 HydrophobicContact CE1-CD1 4.18Å; I90-V121 CarbonylContact C-O 3.54Å; I90-V121 WeakPolarHBondContact CA-O 3.46Å; I90-V121 HydrophobicContact CG1-CB 4.45Å; I90-C123 HydrophobicContact CG2-CB 4.16Å; I90-P163 HydrophobicContact CD1-CB 3.87Å; I90-P163 HydrophobicContact CG1-CB 4.46Å; I90-F164 HydrophobicContact CD1-CZ 4.34Å; I90-L167 HydrophobicContact CD1-CD1 4.36Å; I90-L167 HydrophobicContact CG1-CD1 3.95Å
91	I	98.4	Very high	96.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.7	168.5	-53.4	179.5	0	0	0	107.1	V19 V104 W107 H108 I120 V121 L122 C123	V19-I91 HydrophobicContact CG2-CB 4.21Å; V19-I91 HydrophobicContact CG2-CG1 3.7Å; V19-I91 HydrophobicContact CG2-CG2 4.28Å; I91-V104 HydrophobicContact CG2-CG1 4.18Å; I91-V104 HydrophobicContact CG2-CG2 4.32Å; I91-W107 HydrophobicContact CG2-CB 4.15Å; I91-H108 HydrophobicContact CD1-CB 3.73Å; I91-I120 HydrophobicContact CD1-CG2 3.88Å; I91-I120 HydrophobicContact CG1-CG2 3.87Å; I91-V121 PolarHBondContact N-O 3.1Å; I91-L122 HydrophobicContact CB-CD1 4.12Å; I91-L122 HydrophobicContact CG2-CD1 4.12Å; I91-L122 CarbonylContact O-C 3.56Å; I91-L122 WeakPolarHBondContact O-CA 3.28Å; I91-C123 PolarHBondContact O-N 2.94Å
92	M	98.7	Very high	96.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.2	-176.1	-172.3	175.7	-74.5	0	0	111.8	I18 V19 G20 G25 K26 F29 C123 N125	I18-M92 HydrophobicContact CD1-CE 4.01Å; V19-M92 PolarHBondContact O-N 3.36Å; G20-M92 WeakPolarHBondContact CA-O 3.48Å; G25-M92 VanDerWaalsContact C-SD 3.6Å; K26-M92 HydrophobicContact CG-CB 4.06Å; K26-M92 HydrophobicContact CG-SD 4.12Å; F29-M92 HydrophobicContact CB-CE 3.77Å; F29-M92 HydrophobicContact CD1-CE 3.87Å; F29-M92 HydrophobicContact CD2-CE 4.04Å; F29-M92 HydrophobicContact CE1-CE 4.47Å; F29-M92 HydrophobicContact CG-CE 3.63Å; M92-C123 WeakPolarHBondContact CA-O 3.28Å; M92-C123 HydrophobicContact CE-CB 4.39Å; M92-C123 HydrophobicContact CG-CB 4.44Å; M92-N125 HydrophobicContact CG-CB 3.97Å; M92-N125 HydrophobicContact SD-CB 3.89Å
93	F	98.6	Very high	97.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	168.9	167.2	73.8	-85.9	0	0	0	110.8	V95 Y101 V104 L122 C123 G124 N125 V134 V139 Y149	F93-V95 HydrophobicContact CE2-CG1 3.94Å; F93-V95 HydrophobicContact CZ-CG1 4.46Å; F93-Y101 AromaticContact CD1-CD2 3.93Å; F93-Y101 HydrophobicContact CD1-CD2 3.93Å; F93-Y101 AromaticContact CD2-CD2 3.95Å; F93-Y101 HydrophobicContact CD2-CD2 3.95Å; F93-Y101 HydrophobicContact CD2-CG 4.32Å; F93-Y101 AromaticContact CE1-CD2 3.8Å; F93-Y101 HydrophobicContact CE1-CD2 3.8Å; F93-Y101 HydrophobicContact CE1-CE2 4.24Å; F93-Y101 AromaticContact CE2-CD2 3.85Å; F93-Y101 HydrophobicContact CE2-CD2 3.85Å; F93-Y101 HydrophobicContact CE2-CG 4.36Å; F93-Y101 AromaticContact CG-CD2 3.99Å; F93-Y101 HydrophobicContact CG-CD2 3.99Å; F93-Y101 AromaticContact CZ-CD2 3.77Å; F93-Y101 HydrophobicContact CZ-CD2 3.77Å; F93-Y101 HydrophobicContact CZ-CE2 4.31Å; F93-V104 HydrophobicContact CB-CG2 4.03Å; F93-V104 HydrophobicContact CD1-CG2 4.2Å; F93-V104 HydrophobicContact CG-CG2 4.39Å; F93-L122 HydrophobicContact CD1-CD1 3.84Å; F93-L122 HydrophobicContact CD1-CG 4.25Å; F93-L122 HydrophobicContact CE1-CD1 4.1Å; F93-L122 HydrophobicContact CE1-CD2 4.22Å; F93-L122 HydrophobicContact CE1-CG 3.99Å; F93-C123 VanDerWaalsContact CD1-O 3.27Å; F93-C123 WeakPolarHBondContact CD1-O 3.5Å; F93-C123 PolarHBondContact N-O 3.45Å; F93-G124 VanDerWaalsContact CE1-CA 3.48Å; F93-G124 VanDerWaalsContact CZ-CA 3.47Å; F93-N125 PolarHBondContact O-N 3.22Å; F93-V134 HydrophobicContact CE2-CB 4.3Å; F93-V134 HydrophobicContact CE2-CG1 4.04Å; F93-V134 HydrophobicContact CE2-CG2 4.36Å; F93-V139 HydrophobicContact CZ-CG1 4.41Å; F93-V139 HydrophobicContact CZ-CG2 4.3Å; F93-Y149 AromaticContact CE1-CE2 3.7Å; F93-Y149 HydrophobicContact CE1-CE2 3.7Å; F93-Y149 AromaticContact CZ-CE2 3.85Å; F93-Y149 HydrophobicContact CZ-CE2 3.85Å
94	D	98.1	Very high	97.3	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.053	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.4	177.6	-178.8	-15	0	0	0	109.7	T24 T96 S97 T100 K126	T24-D94 HydrophobicContact CG2-CB 4.32Å; D94-T96 PolarHBondContact O-N 3.01Å; D94-T96 WeakPolarHBondContact OD1-CA 3.39Å; D94-T96 VanDerWaalsContact OD1-CB 3.31Å; D94-T96 WeakPolarHBondContact OD1-CB 3.29Å; D94-T96 PolarHBondContact OD1-N 2.9Å; D94-T96 PolarHBondContact OD1-OG1 3.04Å; D94-T96 PolarHBondContact OD2-OG1 3.34Å; D94-T96 VanDerWaalsContact OD2-OG1 3.13Å; D94-S97 PolarHBondContact O-N 3.05Å; D94-T100 HydrophobicContact CB-CG2 4.3Å; D94-T100 PolarHBondContact N-OG1 2.97Å; D94-T100 PolarHBondContact O-OG1 3.15Å; D94-K126 WeakPolarHBondContact OD2-CD 3.44Å; D94-K126 WeakPolarHBondContact OD2-CE 3.31Å; D94-K126 IonicContact OD2-NZ 2.68Å; D94-K126 PolarHBondContact OD2-NZ 2.97Å
95	V	97.7	Very high	97.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.3	-179.5	-56.7	0	0	0	0	113.2	F93 N125 V127 R132 Q133 V134	F93-V95 HydrophobicContact CE2-CG1 3.94Å; F93-V95 HydrophobicContact CZ-CG1 4.46Å; V95-N125 WeakPolarHBondContact CG2-O 3.31Å; V95-N125 PolarHBondContact N-O 3.49Å; V95-V127 HydrophobicContact CG1-CG1 3.94Å; V95-V127 HydrophobicContact CG2-CG1 4.1Å; V95-R132 HydrophobicContact CB-CG 4.29Å; V95-R132 HydrophobicContact CG2-CG 4.31Å; V95-Q133 PolarHBondContact O-N 2.75Å; V95-V134 PolarHBondContact O-N 3.02Å
96	T	97.3	Very high	97.5	Very high	37 Å²	37	36.6 Å²	36.6	23%	0.227	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5	176.3	75	0	0	0	0	113.4	D94 K126 V129 Q133	D94-T96 PolarHBondContact O-N 3.01Å; D94-T96 WeakPolarHBondContact OD1-CA 3.39Å; D94-T96 VanDerWaalsContact OD1-CB 3.31Å; D94-T96 WeakPolarHBondContact OD1-CB 3.29Å; D94-T96 PolarHBondContact OD1-N 2.9Å; D94-T96 PolarHBondContact OD1-OG1 3.04Å; D94-T96 PolarHBondContact OD2-OG1 3.34Å; D94-T96 VanDerWaalsContact OD2-OG1 3.13Å; T96-K126 HydrophobicContact CG2-CB 4.49Å; T96-V129 HydrophobicContact CG2-CB 3.64Å; T96-V129 HydrophobicContact CG2-CG1 3.67Å; T96-V129 HydrophobicContact CG2-CG2 4.29Å; T96-Q133 WeakPolarHBondContact O-CB 3.45Å; T96-Q133 WeakPolarHBondContact O-CG 3.36Å
97	S	97.3	Very high	97.5	Very high	40 Å²	40	36.6 Å²	36.6	28%	0.28	18%	0.182	S	C	.	.			trans	-131.9	105.1	-179.7	-178.1	0	0	0	0	112.2	D94 L99 T100	D94-S97 PolarHBondContact O-N 3.05Å; S97-L99 PolarHBondContact O-N 3.45Å; S97-T100 PolarHBondContact O-N 3.11Å; S97-T100 VanDerWaalsContact O-N 3.1Å; S97-T100 PolarHBondContact O-OG1 3.26Å
98	R	97	Very high	97.4	Very high	141 Å²	141	33.8 Å²	33.8	53%	0.532	17%	0.169	S	C	.	.	H	α-helix	trans	-56.5	-35.1	178.8	-61.3	-173.4	-173.2	161.9	13.2	113	T100 Y101 K102 Q133 V134	R98-T100 VanDerWaalsContact C-N 3.29Å; R98-T100 PolarHBondContact O-N 3.33Å; R98-Y101 PolarHBondContact O-N 3.39Å; R98-K102 PolarHBondContact O-N 3.04Å; R98-Q133 HydrophobicContact CG-CB 3.94Å; R98-Q133 PolarHBondContact NE-O 2.73Å; R98-V134 HydrophobicContact CG-CG2 4.44Å
99	L	96.8	Very high	97.2	Very high	105 Å²	105	41 Å²	41	55%	0.55	20%	0.196	S	C	.	.	H	α-helix	trans	-59.2	-42.7	179.5	-178.9	61	0	0	0	111.3	S97 Y101 K102 N103	S97-L99 PolarHBondContact O-N 3.45Å; L99-Y101 VanDerWaalsContact C-N 3.27Å; L99-Y101 PolarHBondContact O-N 3.03Å; L99-K102 WeakPolarHBondContact O-CB 3.29Å; L99-K102 PolarHBondContact O-N 2.99Å; L99-K102 VanDerWaalsContact O-N 3.12Å; L99-N103 PolarHBondContact O-N 2.8Å; L99-N103 PolarHBondContact O-ND2 3.21Å
100	T	97.9	Very high	97	Very high	10 Å²	10	42.3 Å²	42.3	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-32	-178.8	68.2	0	0	0	0	112.7	D21 T24 D94 S97 R98	D21-T100 HydrophobicContact CB-CG2 3.8Å; D21-T100 WeakPolarHBondContact OD2-CA 3Å; T24-T100 HydrophobicContact CG2-CG2 3.81Å; D94-T100 HydrophobicContact CB-CG2 4.3Å; D94-T100 PolarHBondContact N-OG1 2.97Å; D94-T100 PolarHBondContact O-OG1 3.15Å; S97-T100 PolarHBondContact O-N 3.11Å; S97-T100 VanDerWaalsContact O-N 3.1Å; S97-T100 PolarHBondContact O-OG1 3.26Å; R98-T100 VanDerWaalsContact C-N 3.29Å; R98-T100 PolarHBondContact O-N 3.33Å
101	Y	98.1	Very high	96.8	Very high	33 Å²	33	42.3 Å²	42.3	13%	0.129	20%	0.203	C	C	.	.	H	α-helix	trans	-75.6	-39.9	172.7	-177.5	-103.2	0	0	0	111.8	F93 R98 L99 N103 V104 L122 V134 Q138 V139 T140 F141	F93-Y101 AromaticContact CD1-CD2 3.93Å; F93-Y101 HydrophobicContact CD1-CD2 3.93Å; F93-Y101 AromaticContact CD2-CD2 3.95Å; F93-Y101 HydrophobicContact CD2-CD2 3.95Å; F93-Y101 HydrophobicContact CD2-CG 4.32Å; F93-Y101 AromaticContact CE1-CD2 3.8Å; F93-Y101 HydrophobicContact CE1-CD2 3.8Å; F93-Y101 HydrophobicContact CE1-CE2 4.24Å; F93-Y101 AromaticContact CE2-CD2 3.85Å; F93-Y101 HydrophobicContact CE2-CD2 3.85Å; F93-Y101 HydrophobicContact CE2-CG 4.36Å; F93-Y101 AromaticContact CG-CD2 3.99Å; F93-Y101 HydrophobicContact CG-CD2 3.99Å; F93-Y101 AromaticContact CZ-CD2 3.77Å; F93-Y101 HydrophobicContact CZ-CD2 3.77Å; F93-Y101 HydrophobicContact CZ-CE2 4.31Å; R98-Y101 PolarHBondContact O-N 3.39Å; L99-Y101 VanDerWaalsContact C-N 3.27Å; L99-Y101 PolarHBondContact O-N 3.03Å; Y101-N103 PolarHBondContact O-N 2.98Å; Y101-V104 HydrophobicContact CD2-CG2 4.2Å; Y101-V104 VanDerWaalsContact O-CB 3.31Å; Y101-V104 WeakPolarHBondContact O-CB 3.42Å; Y101-V104 WeakPolarHBondContact O-CG2 3.49Å; Y101-V104 PolarHBondContact O-N 2.8Å; Y101-V104 VanDerWaalsContact O-N 3.08Å; Y101-L122 HydrophobicContact CE2-CD2 4.39Å; Y101-V134 HydrophobicContact CD1-CG1 4.2Å; Y101-V134 HydrophobicContact CD2-CG1 4.43Å; Y101-V134 HydrophobicContact CG-CG1 4Å; Y101-Q138 WeakPolarHBondContact CE1-O 3.49Å; Y101-Q138 PolarHBondContact OH-O 3.43Å; Y101-V139 HydrophobicContact CE2-CB 4.41Å; Y101-V139 HydrophobicContact CE2-CG1 3.95Å; Y101-V139 HydrophobicContact CE2-CG2 4.39Å; Y101-V139 VanDerWaalsContact OH-CA 3.29Å; Y101-V139 WeakPolarHBondContact OH-CA 3.23Å; Y101-T140 PolarHBondContact OH-N 2.78Å; Y101-F141 WeakPolarHBondContact OH-CB 3.26Å; Y101-F141 PolarHBondContact OH-N 3.41Å
102	K	97	Very high	96.6	Very high	147 Å²	147	44.4 Å²	44.4	64%	0.639	22%	0.217	S	C	*	.	H	α-helix	trans	-57.2	-31.6	174.9	-175.8	178.8	176.9	179.9	0	112.3	R98 L99 P105	R98-K102 PolarHBondContact O-N 3.04Å; L99-K102 WeakPolarHBondContact O-CB 3.29Å; L99-K102 PolarHBondContact O-N 2.99Å; L99-K102 VanDerWaalsContact O-N 3.12Å; K102-P105 VanDerWaalsContact O-CD 3.27Å; K102-P105 WeakPolarHBondContact O-CD 3.37Å
103	N	96.7	Very high	96.3	Very high	45 Å²	45	53.4 Å²	53.4	24%	0.241	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-7.7	-179.9	-67.9	-18.5	0	0	0	114.3	D21 L99 Y101 P105 T106 W107	D21-N103 WeakPolarHBondContact OD1-CB 3.14Å; D21-N103 PolarHBondContact OD1-ND2 3.26Å; D21-N103 PolarHBondContact OD2-ND2 2.89Å; L99-N103 PolarHBondContact O-N 2.8Å; L99-N103 PolarHBondContact O-ND2 3.21Å; Y101-N103 PolarHBondContact O-N 2.98Å; N103-P105 VanDerWaalsContact C-CD 3.49Å; N103-T106 WeakPolarHBondContact O-CB 3.4Å; N103-T106 PolarHBondContact O-N 3.41Å; N103-T106 VanDerWaalsContact O-N 3.11Å; N103-W107 VanDerWaalsContact O-CD1 3.23Å; N103-W107 PolarHBondContact O-N 2.82Å
104	V	97.6	Very high	96.1	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-53.9	-44.4	178.2	166.9	0	0	0	0	113	I91 F93 Y101 T106 W107 H108 L122 F141	I91-V104 HydrophobicContact CG2-CG1 4.18Å; I91-V104 HydrophobicContact CG2-CG2 4.32Å; F93-V104 HydrophobicContact CB-CG2 4.03Å; F93-V104 HydrophobicContact CD1-CG2 4.2Å; F93-V104 HydrophobicContact CG-CG2 4.39Å; Y101-V104 HydrophobicContact CD2-CG2 4.2Å; Y101-V104 VanDerWaalsContact O-CB 3.31Å; Y101-V104 WeakPolarHBondContact O-CB 3.42Å; Y101-V104 WeakPolarHBondContact O-CG2 3.49Å; Y101-V104 PolarHBondContact O-N 2.8Å; Y101-V104 VanDerWaalsContact O-N 3.08Å; V104-T106 VanDerWaalsContact C-N 3.28Å; V104-T106 PolarHBondContact O-N 3.39Å; V104-W107 PolarHBondContact O-N 3.4Å; V104-H108 WeakPolarHBondContact O-CB 3.45Å; V104-H108 PolarHBondContact O-N 3.35Å; V104-L122 HydrophobicContact CG1-CD1 3.68Å; V104-L122 HydrophobicContact CG2-CD1 3.96Å; V104-F141 HydrophobicContact CG1-CD1 3.45Å; V104-F141 VanDerWaalsContact CG1-CD1 3.45Å; V104-F141 HydrophobicContact CG1-CE1 3.75Å; V104-F141 HydrophobicContact CG1-CG 4.02Å
105	P	96.7	Very high	95.9	Very high	57 Å²	57	55.5 Å²	55.5	37%	0.37	27%	0.265	S	S	.	.	H	α-helix	trans	-56.4	-39.5	176	-25.3	34.9	0	0	0	113.7	K102 N103 H108 R109 F141	K102-P105 VanDerWaalsContact O-CD 3.27Å; K102-P105 WeakPolarHBondContact O-CD 3.37Å; N103-P105 VanDerWaalsContact C-CD 3.49Å; P105-H108 PolarHBondContact O-N 3.5Å; P105-R109 VanDerWaalsContact O-CB 3.32Å; P105-R109 WeakPolarHBondContact O-CB 3.28Å; P105-R109 PolarHBondContact O-N 3.48Å; P105-F141 HydrophobicContact CB-CD2 4.35Å; P105-F141 HydrophobicContact CB-CE2 3.72Å; P105-F141 HydrophobicContact CB-CZ 4.26Å; P105-F141 HydrophobicContact CG-CD2 3.8Å; P105-F141 HydrophobicContact CG-CE2 3.69Å; P105-F141 HydrophobicContact CG-CZ 4.46Å
106	T	94.6	Very high	95.5	Very high	51 Å²	51	63 Å²	63	31%	0.313	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-50.5	177.3	-53.3	0	0	0	0	110.9	N103 V104 H108 R109 D110	N103-T106 WeakPolarHBondContact O-CB 3.4Å; N103-T106 PolarHBondContact O-N 3.41Å; N103-T106 VanDerWaalsContact O-N 3.11Å; V104-T106 VanDerWaalsContact C-N 3.28Å; V104-T106 PolarHBondContact O-N 3.39Å; T106-H108 VanDerWaalsContact C-N 3.31Å; T106-H108 PolarHBondContact O-N 2.9Å; T106-R109 PolarHBondContact O-N 2.91Å; T106-D110 PolarHBondContact O-N 2.61Å
107	W	95.7	Very high	95.2	Very high	8 Å²	8	68.9 Å²	68.9	3%	0.03	33%	0.33	C	S	.	.	H	α-helix	trans	-59.6	-41.5	177	-72.9	108.1	0	0	0	112.6	V19 G20 D21 R79 I91 N103 V104 L111	V19-W107 HydrophobicContact CB-CD2 4.34Å; V19-W107 HydrophobicContact CB-CE3 3.7Å; V19-W107 HydrophobicContact CB-CZ3 4.11Å; V19-W107 HydrophobicContact CG1-CE3 4.37Å; V19-W107 HydrophobicContact CG2-CB 4.22Å; V19-W107 HydrophobicContact CG2-CE3 4.29Å; G20-W107 VanDerWaalsContact C-CE2 3.4Å; G20-W107 VanDerWaalsContact C-CZ2 3.43Å; G20-W107 VanDerWaalsContact O-CZ2 3.32Å; G20-W107 WeakPolarHBondContact O-CZ2 3.43Å; D21-W107 PolarHBondContact OD1-NE1 3.29Å; R79-W107 VanDerWaalsContact CZ-CH2 3.46Å; I91-W107 HydrophobicContact CG2-CB 4.15Å; N103-W107 VanDerWaalsContact O-CD1 3.23Å; N103-W107 PolarHBondContact O-N 2.82Å; V104-W107 PolarHBondContact O-N 3.4Å; W107-L111 VanDerWaalsContact O-CB 3.27Å; W107-L111 WeakPolarHBondContact O-CB 3.35Å; W107-L111 PolarHBondContact O-N 2.95Å
108	H	96.1	Very high	95.2	Very high	22 Å²	22	68.4 Å²	68.4	10%	0.102	32%	0.323	C	S	.	.	H	α-helix	trans	-64.1	-47.6	176.4	176.3	-80.7	0	0	0	111.8	I91 V104 P105 T106 D110 L111 C112 F141	I91-H108 HydrophobicContact CD1-CB 3.73Å; V104-H108 WeakPolarHBondContact O-CB 3.45Å; V104-H108 PolarHBondContact O-N 3.35Å; P105-H108 PolarHBondContact O-N 3.5Å; T106-H108 VanDerWaalsContact C-N 3.31Å; T106-H108 PolarHBondContact O-N 2.9Å; H108-D110 PolarHBondContact O-N 2.98Å; H108-L111 PolarHBondContact O-N 2.8Å; H108-C112 PolarHBondContact CE1-SG 3.23Å; H108-C112 WeakPolarHBondContact O-CB 3.23Å; H108-C112 PolarHBondContact O-N 3.19Å; H108-C112 PolarHBondContact O-SG 3.04Å; H108-C112 VanDerWaalsContact O-SG 3.35Å; H108-F141 HydrophobicContact CB-CE1 3.69Å; H108-F141 HydrophobicContact CB-CZ 3.6Å; H108-F141 AromaticContact CD2-CE1 3.8Å; H108-F141 AromaticContact CG-CE1 3.69Å; H108-F141 AromaticContact CG-CZ 3.58Å; H108-F141 AromaticContact ND1-CZ 3.92Å
109	R	94.1	Very high	95.3	Very high	151 Å²	151	63.2 Å²	63.2	57%	0.57	31%	0.308	S	S	*	.	H	α-helix	trans	-56.8	-49.9	177.9	179.1	-163.2	67	-166.8	-0.6	111	P105 T106 L111 C112 R113	P105-R109 VanDerWaalsContact O-CB 3.32Å; P105-R109 WeakPolarHBondContact O-CB 3.28Å; P105-R109 PolarHBondContact O-N 3.48Å; T106-R109 PolarHBondContact O-N 2.91Å; R109-L111 PolarHBondContact O-N 2.86Å; R109-C112 PolarHBondContact O-N 3.31Å; R109-R113 WeakPolarHBondContact O-CB 3.41Å; R109-R113 PolarHBondContact O-N 3.4Å
110	D	93.2	Very high	95.4	Very high	28 Å²	28	58.6 Å²	58.6	15%	0.15	28%	0.284	C	S	.	.	H	α-helix	trans	-66.7	-38.9	-176.3	-61.7	-9.4	0	0	0	111.3	Y83 T106 H108	Y83-D110 HydrophobicContact CE2-CB 4.22Å; T106-D110 PolarHBondContact O-N 2.61Å; H108-D110 PolarHBondContact O-N 2.98Å
111	L	94.5	Very high	95.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-50.8	173.2	179.9	73	0	0	0	111.7	V17 Y83 A89 W107 H108 R109 R113 V114 C115 I118 I120	V17-L111 HydrophobicContact CB-CD1 4.46Å; Y83-L111 HydrophobicContact CD1-CD1 4.12Å; Y83-L111 HydrophobicContact CD2-CD1 4.48Å; Y83-L111 HydrophobicContact CG-CD1 4.1Å; A89-L111 HydrophobicContact CB-CD1 4.2Å; A89-L111 HydrophobicContact CB-CD2 3.4Å; A89-L111 VanDerWaalsContact CB-CD2 3.4Å; A89-L111 HydrophobicContact CB-CG 4.43Å; W107-L111 VanDerWaalsContact O-CB 3.27Å; W107-L111 WeakPolarHBondContact O-CB 3.35Å; W107-L111 PolarHBondContact O-N 2.95Å; H108-L111 PolarHBondContact O-N 2.8Å; R109-L111 PolarHBondContact O-N 2.86Å; L111-R113 PolarHBondContact O-N 3.49Å; L111-V114 PolarHBondContact O-N 3.1Å; L111-C115 PolarHBondContact O-N 2.85Å; L111-I118 HydrophobicContact CD1-CD1 4.44Å; L111-I118 HydrophobicContact CD2-CD1 4.36Å; L111-I118 HydrophobicContact CG-CD1 4.47Å; L111-I120 HydrophobicContact CD2-CD1 3.7Å; L111-I120 HydrophobicContact CD2-CG1 4.04Å
112	C	94.5	Very high	95.4	Very high	44 Å²	44	56.6 Å²	56.6	30%	0.297	28%	0.275	S	S	.	.	H	α-helix	trans	-68.2	-21.4	-177.6	-70.5	0	0	0	0	113.4	H108 R109 V114	H108-C112 PolarHBondContact CE1-SG 3.23Å; H108-C112 WeakPolarHBondContact O-CB 3.23Å; H108-C112 PolarHBondContact O-N 3.19Å; H108-C112 PolarHBondContact O-SG 3.04Å; H108-C112 VanDerWaalsContact O-SG 3.35Å; R109-C112 PolarHBondContact O-N 3.31Å; C112-V114 PolarHBondContact O-N 3.04Å
113	R	93.2	Very high	95.5	Very high	191 Å²	191	49.6 Å²	49.6	72%	0.721	25%	0.245	S	C	*	.	H	α-helix	trans	-63.4	-28.4	171	-175.2	-178.7	177.7	-169.4	0.7	112.5	R109 L111	R109-R113 WeakPolarHBondContact O-CB 3.41Å; R109-R113 PolarHBondContact O-N 3.4Å; L111-R113 PolarHBondContact O-N 3.49Å
114	V	94.8	Very high	95.6	Very high	47 Å²	47	47.4 Å²	47.4	29%	0.285	23%	0.233	S	C	.	.	H	α-helix	trans	-106.5	-35.5	-178	-175.5	0	0	0	0	112.2	D80 Y83 I84 L111 C112	D80-V114 HydrophobicContact CB-CG2 3.98Å; Y83-V114 HydrophobicContact CD2-CB 4.31Å; Y83-V114 HydrophobicContact CD2-CG2 4.03Å; I84-V114 HydrophobicContact CG1-CG1 3.99Å; L111-V114 PolarHBondContact O-N 3.1Å; C112-V114 PolarHBondContact O-N 3.04Å
115	C	93.5	Very high	95.6	Very high	7 Å²	7	47.5 Å²	47.5	5%	0.047	23%	0.234	C	C	.	.	S	Bend	trans	-117.7	99	-179.2	-60.2	0	0	0	0	110.7	Y83 L111 I118	Y83-C115 PolarHBondContact O-SG 3.2Å; L111-C115 PolarHBondContact O-N 2.85Å; C115-I118 HydrophobicContact CB-CD1 3.55Å; C115-I118 HydrophobicContact CB-CG1 3.86Å; C115-I118 HydrophobicContact CB-CG2 4.07Å
116	E	88.9	Confident	95.6	Very high	156 Å²	156	47.5 Å²	47.5	73%	0.729	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	136	174.4	-63.3	-178	-173.5	0	0	110.7	I118	E116-I118 VanDerWaalsContact C-N 3.33Å; E116-I118 PolarHBondContact O-N 3.12Å
117	N	91.6	Very high	95.7	Very high	162 Å²	162	45.9 Å²	45.9	87%	0.866	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	28.5	168.9	-55.2	-48.8	0	0	0	116.9
118	I	97.3	Very high	95.6	Very high	29 Å²	29	47.2 Å²	47.2	15%	0.149	23%	0.225	C	C	.	.			trans	-84.4	148.6	173	61	163.9	0	0	0	112	G86 Q87 A89 L111 C115 E116 I120	G86-I118 WeakPolarHBondContact O-CG2 3.44Å; Q87-I118 WeakPolarHBondContact O-CB 3.43Å; A89-I118 HydrophobicContact CB-CD1 4.06Å; L111-I118 HydrophobicContact CD1-CD1 4.44Å; L111-I118 HydrophobicContact CD2-CD1 4.36Å; L111-I118 HydrophobicContact CG-CD1 4.47Å; C115-I118 HydrophobicContact CB-CD1 3.55Å; C115-I118 HydrophobicContact CB-CG1 3.86Å; C115-I118 HydrophobicContact CB-CG2 4.07Å; E116-I118 VanDerWaalsContact C-N 3.33Å; E116-I118 PolarHBondContact O-N 3.12Å; I118-I120 HydrophobicContact CD1-CG1 4.39Å; I118-I120 HydrophobicContact CG1-CD1 4.33Å; I118-I120 HydrophobicContact CG1-CG1 4.05Å; I118-I120 PolarHBondContact O-N 2.94Å
119	P	98.2	Very high	95.5	Very high	32 Å²	32	48.9 Å²	48.9	21%	0.208	24%	0.237	C	C	.	.			trans	-63.3	128.5	169.9	-21.3	33.8	0	0	0	111.2	Q87 C88 A89 L167 K170 L171	Q87-P119 WeakPolarHBondContact O-CD 3.42Å; C88-P119 CarbonylContact C-O 3.57Å; C88-P119 VanDerWaalsContact CA-O 3.26Å; C88-P119 WeakPolarHBondContact CA-O 3.4Å; C88-P119 WeakPolarHBondContact CB-O 3.29Å; A89-P119 PolarHBondContact N-O 2.94Å; P119-L167 HydrophobicContact CB-CD2 3.78Å; P119-L167 WeakPolarHBondContact O-CD2 3.23Å; P119-K170 HydrophobicContact CB-CB 3.85Å; P119-K170 HydrophobicContact CB-CG 4.26Å; P119-K170 HydrophobicContact CG-CB 3.74Å; P119-L171 HydrophobicContact CG-CD2 4.47Å
120	I	98.5	Very high	95.3	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.046	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.1	-179.9	-58.1	165.7	0	0	0	109.6	A89 I91 L111 I118 L147	A89-I120 HydrophobicContact CB-CG1 4.2Å; A89-I120 WeakPolarHBondContact O-CA 3.39Å; I91-I120 HydrophobicContact CD1-CG2 3.88Å; I91-I120 HydrophobicContact CG1-CG2 3.87Å; L111-I120 HydrophobicContact CD2-CD1 3.7Å; L111-I120 HydrophobicContact CD2-CG1 4.04Å; I118-I120 HydrophobicContact CD1-CG1 4.39Å; I118-I120 HydrophobicContact CG1-CD1 4.33Å; I118-I120 HydrophobicContact CG1-CG1 4.05Å; I118-I120 PolarHBondContact O-N 2.94Å; I120-L147 HydrophobicContact CB-CD2 3.97Å; I120-L147 HydrophobicContact CG2-CD1 4.21Å; I120-L147 HydrophobicContact CG2-CD2 4.35Å
121	V	98.7	Very high	95.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.5	170.3	-177.8	0	0	0	0	109.6	A89 I90 I91 Q148 Y150 P163 Y166 L167	A89-V121 PolarHBondContact O-N 2.81Å; I90-V121 CarbonylContact C-O 3.54Å; I90-V121 WeakPolarHBondContact CA-O 3.46Å; I90-V121 HydrophobicContact CG1-CB 4.45Å; I91-V121 PolarHBondContact N-O 3.1Å; V121-Q148 CarbonylContact C-O 3.56Å; V121-Q148 WeakPolarHBondContact CA-O 3.43Å; V121-Q148 HydrophobicContact CG2-CB 4.39Å; V121-Y150 HydrophobicContact CG1-CD2 3.79Å; V121-Y150 HydrophobicContact CG1-CE2 4.42Å; V121-P163 HydrophobicContact CB-CB 4.47Å; V121-P163 HydrophobicContact CG1-CB 4.01Å; V121-P163 HydrophobicContact CG1-CG 4.41Å; V121-Y166 HydrophobicContact CG2-CD1 3.42Å; V121-Y166 VanDerWaalsContact CG2-CD1 3.42Å; V121-Y166 HydrophobicContact CG2-CE1 4Å; V121-Y166 HydrophobicContact CG2-CG 4.27Å; V121-L167 HydrophobicContact CG2-CD1 4.31Å; V121-L167 HydrophobicContact CG2-CD2 3.78Å; V121-L167 HydrophobicContact CG2-CG 3.78Å
122	L	98.6	Very high	95.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.8	166.8	-178.3	65.7	0	0	0	109.3	I91 F93 Y101 V104 H142 Q148 Y149 Y150	I91-L122 HydrophobicContact CB-CD1 4.12Å; I91-L122 HydrophobicContact CG2-CD1 4.12Å; I91-L122 CarbonylContact O-C 3.56Å; I91-L122 WeakPolarHBondContact O-CA 3.28Å; F93-L122 HydrophobicContact CD1-CD1 3.84Å; F93-L122 HydrophobicContact CD1-CG 4.25Å; F93-L122 HydrophobicContact CE1-CD1 4.1Å; F93-L122 HydrophobicContact CE1-CD2 4.22Å; F93-L122 HydrophobicContact CE1-CG 3.99Å; Y101-L122 HydrophobicContact CE2-CD2 4.39Å; V104-L122 HydrophobicContact CG1-CD1 3.68Å; V104-L122 HydrophobicContact CG2-CD1 3.96Å; L122-H142 HydrophobicContact CB-CB 4.47Å; L122-H142 HydrophobicContact CD2-CB 4Å; L122-Q148 PolarHBondContact N-O 3.08Å; L122-Y149 HydrophobicContact CB-CD2 4.12Å; L122-Y149 HydrophobicContact CD2-CD2 3.94Å; L122-Y149 HydrophobicContact CD2-CE2 4.47Å; L122-Y149 HydrophobicContact CG-CD2 3.88Å; L122-Y149 HydrophobicContact CG-CE2 4.4Å; L122-Y149 WeakPolarHBondContact O-CA 3.45Å; L122-Y149 VanDerWaalsContact O-CD2 3.29Å; L122-Y149 WeakPolarHBondContact O-CD2 3.31Å; L122-Y150 PolarHBondContact O-N 3.16Å
123	C	98.6	Very high	95.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.6	179.1	-72.2	0	0	0	0	111.4	I90 I91 M92 F93 Y150 V152 P163	I90-C123 HydrophobicContact CG2-CB 4.16Å; I91-C123 PolarHBondContact O-N 2.94Å; M92-C123 WeakPolarHBondContact CA-O 3.28Å; M92-C123 HydrophobicContact CE-CB 4.39Å; M92-C123 HydrophobicContact CG-CB 4.44Å; F93-C123 VanDerWaalsContact CD1-O 3.27Å; F93-C123 WeakPolarHBondContact CD1-O 3.5Å; F93-C123 PolarHBondContact N-O 3.45Å; C123-Y150 VanDerWaalsContact CA-O 3.31Å; C123-Y150 WeakPolarHBondContact CA-O 3.41Å; C123-V152 HydrophobicContact CB-CG2 4.15Å; C123-P163 WeakPolarHBondContact SG-CG 3.43Å
124	G	98.4	Very high	95.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	102.1	166.1	0	0	0	0	0	109.8	F93 Y150 E151 V152	F93-G124 VanDerWaalsContact CE1-CA 3.48Å; F93-G124 VanDerWaalsContact CZ-CA 3.47Å; G124-Y150 PolarHBondContact N-O 3.12Å; G124-E151 WeakPolarHBondContact O-CA 3.27Å; G124-V152 PolarHBondContact O-N 3.37Å
125	N	98.1	Very high	95.3	Very high	4 Å²	4	54 Å²	54	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	165.7	-177.3	-169.5	29.7	0	0	0	112.3	T24 M92 F93 V95 V152 S153 A154	T24-N125 PolarHBondContact O-ND2 3.08Å; M92-N125 HydrophobicContact CG-CB 3.97Å; M92-N125 HydrophobicContact SD-CB 3.89Å; F93-N125 PolarHBondContact O-N 3.22Å; V95-N125 WeakPolarHBondContact CG2-O 3.31Å; V95-N125 PolarHBondContact N-O 3.49Å; N125-V152 CarbonylContact C-O 3.56Å; N125-V152 VanDerWaalsContact CA-O 3.28Å; N125-V152 WeakPolarHBondContact CA-O 3.4Å; N125-V152 HydrophobicContact CB-CG2 3.97Å; N125-V152 PolarHBondContact OD1-O 3.44Å; N125-S153 WeakPolarHBondContact OD1-CA 3.45Å; N125-A154 PolarHBondContact OD1-N 2.86Å; N125-A154 VanDerWaalsContact OD1-N 3.09Å
126	K	96.5	Very high	95.1	Very high	56 Å²	56	53.8 Å²	53.8	24%	0.243	26%	0.261	C	S	.	.			trans	70	32.8	176.7	-46.9	-168.2	-166.2	165.7	0	114.8	G23 D94 T96 D128 V129 V152	G23-K126 WeakPolarHBondContact O-CE 3.12Å; G23-K126 PolarHBondContact O-NZ 3.07Å; D94-K126 WeakPolarHBondContact OD2-CD 3.44Å; D94-K126 WeakPolarHBondContact OD2-CE 3.31Å; D94-K126 IonicContact OD2-NZ 2.68Å; D94-K126 PolarHBondContact OD2-NZ 2.97Å; T96-K126 HydrophobicContact CG2-CB 4.49Å; K126-D128 WeakPolarHBondContact CA-OD1 3.29Å; K126-D128 PolarHBondContact O-N 3.07Å; K126-D128 VanDerWaalsContact O-N 3.16Å; K126-V129 HydrophobicContact CB-CG2 4.15Å; K126-V129 WeakPolarHBondContact O-CB 3.45Å; K126-V129 PolarHBondContact O-N 3.09Å; K126-V152 PolarHBondContact N-O 2.79Å
127	V	96.2	Very high	95.1	Very high	17 Å²	17	54.8 Å²	54.8	10%	0.103	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.6	175.5	-57.2	0	0	0	0	114.1	V95 V129 E151 V152 Y158 I192	V95-V127 HydrophobicContact CG1-CG1 3.94Å; V95-V127 HydrophobicContact CG2-CG1 4.1Å; V127-V129 PolarHBondContact O-N 3.11Å; V127-E151 HydrophobicContact CG1-CB 3.86Å; V127-E151 HydrophobicContact CG1-CG 4.22Å; V127-V152 WeakPolarHBondContact CG2-O 3.13Å; V127-Y158 HydrophobicContact CG2-CD1 3.67Å; V127-Y158 HydrophobicContact CG2-CE1 4.13Å; V127-I192 HydrophobicContact CG2-CD1 3.66Å
128	D	94	Very high	95.1	Very high	36 Å²	36	50.9 Å²	50.9	19%	0.193	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.6	168.1	59.3	-72.3	0	0	0	113.6	K126 S153 K155 V190 I192	K126-D128 WeakPolarHBondContact CA-OD1 3.29Å; K126-D128 PolarHBondContact O-N 3.07Å; K126-D128 VanDerWaalsContact O-N 3.16Å; D128-S153 VanDerWaalsContact OD1-CB 3.29Å; D128-S153 WeakPolarHBondContact OD1-CB 3.33Å; D128-S153 PolarHBondContact OD1-OG 2.84Å; D128-K155 WeakPolarHBondContact OD2-CD 3.31Å; D128-V190 HydrophobicContact CB-CG2 3.91Å; D128-I192 HydrophobicContact CB-CD1 4.2Å
129	V	93.6	Very high	94.9	Very high	57 Å²	57	49.7 Å²	49.7	35%	0.345	23%	0.234	S	C	.	.			trans	-90.6	118.8	-177.8	-176.9	0	0	0	0	110.8	T96 K126 V127 N131	T96-V129 HydrophobicContact CG2-CB 3.64Å; T96-V129 HydrophobicContact CG2-CG1 3.67Å; T96-V129 HydrophobicContact CG2-CG2 4.29Å; K126-V129 HydrophobicContact CB-CG2 4.15Å; K126-V129 WeakPolarHBondContact O-CB 3.45Å; K126-V129 PolarHBondContact O-N 3.09Å; V127-V129 PolarHBondContact O-N 3.11Å; V129-N131 VanDerWaalsContact C-N 3.28Å; V129-N131 PolarHBondContact O-N 3.22Å
130	K	90.2	Very high	94.8	Very high	204 Å²	204	49.2 Å²	49.2	89%	0.887	23%	0.23	S	C	*	.	S	Bend	trans	-58.8	-32.9	-177.9	-63.7	-172.2	178.6	-173.3	0	114.4	R132	K130-R132 PolarHBondContact O-N 2.94Å
131	N	91.5	Very high	94.6	Very high	107 Å²	107	49.6 Å²	49.6	57%	0.572	23%	0.232	S	C	*	.			trans	-79.7	60	-179.3	-172.3	26.6	0	0	0	112	V129 Q133	V129-N131 VanDerWaalsContact C-N 3.28Å; V129-N131 PolarHBondContact O-N 3.22Å; N131-Q133 PolarHBondContact O-N 3.03Å; N131-Q133 PolarHBondContact OD1-NE2 3.01Å
132	R	94.5	Very high	94.4	Very high	57 Å²	57	51 Å²	51	22%	0.215	24%	0.238	C	C	.	.			trans	-68.5	128	177.6	-177.4	175.2	-174.8	130.9	12.9	110.8	V95 K130 V134 E151 H200	V95-R132 HydrophobicContact CB-CG 4.29Å; V95-R132 HydrophobicContact CG2-CG 4.31Å; K130-R132 PolarHBondContact O-N 2.94Å; R132-V134 PolarHBondContact NE-O 3.43Å; R132-V134 PolarHBondContact NH2-O 2.89Å; R132-E151 IonicContact CZ-OE1 3.25Å; R132-E151 VanDerWaalsContact CZ-OE1 3.25Å; R132-E151 IonicContact CZ-OE2 3.82Å; R132-E151 VanDerWaalsContact NH1-CD 3.29Å; R132-E151 IonicContact NH1-OE1 3.08Å; R132-E151 PolarHBondContact NH1-OE1 3.29Å; R132-E151 VanDerWaalsContact NH1-OE1 3.08Å; R132-E151 IonicContact NH1-OE2 2.87Å; R132-E151 PolarHBondContact NH1-OE2 3.24Å; R132-E151 IonicContact NH2-OE1 2.63Å; R132-E151 PolarHBondContact NH2-OE1 3.11Å; R132-E151 IonicContact NH2-OE2 3.92Å; R132-H200 PolarHBondContact NE-CE1 2.99Å; R132-H200 VanDerWaalsContact NE-CE1 3.29Å; R132-H200 PolarHBondContact NH1-CD2 3.28Å; R132-H200 PolarHBondContact NH1-CE1 3.48Å; R132-H200 PolarHBondContact NH1-ND1 2.54Å; R132-H200 PolarHBondContact NH1-NE2 3.41Å; R132-H200 PolarHBondContact NH2-CE1 3.33Å; R132-H200 VanDerWaalsContact NH2-CE1 3.27Å; R132-H200 PolarHBondContact NH2-NE2 2.91Å
133	Q	95.9	Very high	94.2	Very high	57 Å²	57	54.6 Å²	54.6	27%	0.266	25%	0.252	S	S	.	.			trans	-109	-23.7	-177.5	-67.5	-65.3	-27.1	0	0	113.8	V95 T96 R98 N131	V95-Q133 PolarHBondContact O-N 2.75Å; T96-Q133 WeakPolarHBondContact O-CB 3.45Å; T96-Q133 WeakPolarHBondContact O-CG 3.36Å; R98-Q133 HydrophobicContact CG-CB 3.94Å; R98-Q133 PolarHBondContact NE-O 2.73Å; N131-Q133 PolarHBondContact O-N 3.03Å; N131-Q133 PolarHBondContact OD1-NE2 3.01Å
134	V	95.2	Very high	93.9	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.012	27%	0.269	C	S	.	.	S	Bend	trans	-99	103.5	176.7	-175.2	0	0	0	0	109.3	F93 V95 R98 Y101 R132 Q138 V139	F93-V134 HydrophobicContact CE2-CB 4.3Å; F93-V134 HydrophobicContact CE2-CG1 4.04Å; F93-V134 HydrophobicContact CE2-CG2 4.36Å; V95-V134 PolarHBondContact O-N 3.02Å; R98-V134 HydrophobicContact CG-CG2 4.44Å; Y101-V134 HydrophobicContact CD1-CG1 4.2Å; Y101-V134 HydrophobicContact CD2-CG1 4.43Å; Y101-V134 HydrophobicContact CG-CG1 4Å; R132-V134 PolarHBondContact NE-O 3.43Å; R132-V134 PolarHBondContact NH2-O 2.89Å; V134-Q138 HydrophobicContact CG1-CB 4.46Å; V134-V139 HydrophobicContact CG1-CG2 3.62Å
135	K	92.2	Very high	93.7	Very high	142 Å²	142	63.7 Å²	63.7	62%	0.617	29%	0.292	S	S	*	.			trans	-76	154.9	-177.9	-61.5	-175.5	177.9	-176.7	0	111.5	K137 Q138	K135-K137 VanDerWaalsContact C-N 3.26Å; K135-K137 PolarHBondContact O-N 3.05Å; K135-Q138 HydrophobicContact CB-CG 4.37Å; K135-Q138 WeakPolarHBondContact O-CB 3.48Å; K135-Q138 PolarHBondContact O-N 3.45Å
136	A	89.9	Confident	93.5	Very high	2 Å²	2	70.6 Å²	70.6	2%	0.017	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-49.6	-46.1	179.6	0	0	0	0	0	112.9	Q138 V139 E203 L204	A136-Q138 PolarHBondContact O-N 2.84Å; A136-Q138 VanDerWaalsContact O-N 3.15Å; A136-V139 PolarHBondContact O-N 3.4Å; A136-E203 HydrophobicContact CB-CB 3.78Å; A136-L204 HydrophobicContact CB-CB 4.49Å; A136-L204 HydrophobicContact CB-CD2 3.78Å; A136-L204 HydrophobicContact CB-CG 3.85Å
137	K	89.9	Confident	93.5	Very high	177 Å²	177	68.9 Å²	68.9	77%	0.77	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-61.6	-21.5	179.2	-64.3	-175.3	178.2	-176.1	0	114.7	K135 A207	K135-K137 VanDerWaalsContact C-N 3.26Å; K135-K137 PolarHBondContact O-N 3.05Å; K137-A207 HydrophobicContact CG-CB 4.25Å
138	Q	90.7	Very high	93.5	Very high	81 Å²	81	70.9 Å²	70.9	38%	0.379	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-84.4	-20.6	178.4	-61.2	177.2	-64.8	0	0	111.8	Y101 V134 K135 A136 T140	Y101-Q138 WeakPolarHBondContact CE1-O 3.49Å; Y101-Q138 PolarHBondContact OH-O 3.43Å; V134-Q138 HydrophobicContact CG1-CB 4.46Å; K135-Q138 HydrophobicContact CB-CG 4.37Å; K135-Q138 WeakPolarHBondContact O-CB 3.48Å; K135-Q138 PolarHBondContact O-N 3.45Å; A136-Q138 PolarHBondContact O-N 2.84Å; A136-Q138 VanDerWaalsContact O-N 3.15Å; Q138-T140 VanDerWaalsContact C-N 3.34Å; Q138-T140 PolarHBondContact O-N 3.47Å
139	V	93.5	Very high	93.7	Very high	4 Å²	4	70.2 Å²	70.2	2%	0.024	33%	0.325	C	S	.	.			trans	-84.8	75	-175.2	-169.9	0	0	0	0	110.5	F93 Y101 V134 A136 H142 Y149 L204	F93-V139 HydrophobicContact CZ-CG1 4.41Å; F93-V139 HydrophobicContact CZ-CG2 4.3Å; Y101-V139 HydrophobicContact CE2-CB 4.41Å; Y101-V139 HydrophobicContact CE2-CG1 3.95Å; Y101-V139 HydrophobicContact CE2-CG2 4.39Å; Y101-V139 VanDerWaalsContact OH-CA 3.29Å; Y101-V139 WeakPolarHBondContact OH-CA 3.23Å; V134-V139 HydrophobicContact CG1-CG2 3.62Å; A136-V139 PolarHBondContact O-N 3.4Å; V139-H142 PolarHBondContact O-CE1 3.05Å; V139-H142 PolarHBondContact O-ND1 3.22Å; V139-Y149 HydrophobicContact CG1-CD1 4.28Å; V139-Y149 HydrophobicContact CG1-CD2 4.15Å; V139-Y149 HydrophobicContact CG1-CE1 3.94Å; V139-Y149 HydrophobicContact CG1-CE2 3.81Å; V139-Y149 HydrophobicContact CG1-CG 4.38Å; V139-L204 HydrophobicContact CB-CD2 4.38Å
140	T	94.9	Very high	93.9	Very high	21 Å²	21	69.6 Å²	69.6	13%	0.129	32%	0.317	C	S	.	.			trans	-109.8	-14.4	-177.4	57.3	0	0	0	0	114.2	Y101 Q138 H142 R143 K144 L212	Y101-T140 PolarHBondContact OH-N 2.78Å; Q138-T140 VanDerWaalsContact C-N 3.34Å; Q138-T140 PolarHBondContact O-N 3.47Å; T140-H142 VanDerWaalsContact C-N 3.31Å; T140-H142 PolarHBondContact O-N 2.87Å; T140-R143 WeakPolarHBondContact O-CB 3.44Å; T140-R143 PolarHBondContact O-N 2.84Å; T140-K144 PolarHBondContact O-N 3.11Å; T140-L212 HydrophobicContact CG2-CD2 4.25Å
141	F	96	Very high	94.2	Very high	18 Å²	18	60.2 Å²	60.2	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-58.6	-40.2	-171.8	-175.2	-98.6	0	0	0	113.3	Y101 V104 P105 H108 R143 K144 K145 L147	Y101-F141 WeakPolarHBondContact OH-CB 3.26Å; Y101-F141 PolarHBondContact OH-N 3.41Å; V104-F141 HydrophobicContact CG1-CD1 3.45Å; V104-F141 VanDerWaalsContact CG1-CD1 3.45Å; V104-F141 HydrophobicContact CG1-CE1 3.75Å; V104-F141 HydrophobicContact CG1-CG 4.02Å; P105-F141 HydrophobicContact CB-CD2 4.35Å; P105-F141 HydrophobicContact CB-CE2 3.72Å; P105-F141 HydrophobicContact CB-CZ 4.26Å; P105-F141 HydrophobicContact CG-CD2 3.8Å; P105-F141 HydrophobicContact CG-CE2 3.69Å; P105-F141 HydrophobicContact CG-CZ 4.46Å; H108-F141 HydrophobicContact CB-CE1 3.69Å; H108-F141 HydrophobicContact CB-CZ 3.6Å; H108-F141 AromaticContact CD2-CE1 3.8Å; H108-F141 AromaticContact CG-CE1 3.69Å; H108-F141 AromaticContact CG-CZ 3.58Å; H108-F141 AromaticContact ND1-CZ 3.92Å; F141-R143 PolarHBondContact O-N 2.9Å; F141-K144 PolarHBondContact O-N 2.77Å; F141-K144 VanDerWaalsContact O-N 3.14Å; F141-K145 HydrophobicContact CD1-CG 4.43Å; F141-K145 HydrophobicContact CE1-CB 4.35Å; F141-K145 HydrophobicContact CE1-CG 3.82Å; F141-K145 HydrophobicContact CE2-CG 3.92Å; F141-K145 HydrophobicContact CZ-CD 4.5Å; F141-K145 HydrophobicContact CZ-CG 3.54Å; F141-K145 PolarHBondContact O-N 3.2Å; F141-L147 HydrophobicContact CD1-CD1 4.22Å; F141-L147 HydrophobicContact CE1-CD1 4.03Å
142	H	94.3	Very high	94.5	Very high	29 Å²	29	55.1 Å²	55.1	13%	0.134	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-33.8	177.7	69.2	-85.8	0	0	0	112.6	L122 V139 T140 N146 L147	L122-H142 HydrophobicContact CB-CB 4.47Å; L122-H142 HydrophobicContact CD2-CB 4Å; V139-H142 PolarHBondContact O-CE1 3.05Å; V139-H142 PolarHBondContact O-ND1 3.22Å; T140-H142 VanDerWaalsContact C-N 3.31Å; T140-H142 PolarHBondContact O-N 2.87Å; H142-N146 CarbonylContact O-C 3.56Å; H142-N146 WeakPolarHBondContact O-CA 3.32Å; H142-N146 PolarHBondContact O-N 3.21Å; H142-L147 HydrophobicContact CB-CB 4.01Å; H142-L147 PolarHBondContact O-N 2.7Å
143	R	93.4	Very high	94.6	Very high	75 Å²	75	52.4 Å²	52.4	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-69.1	-43.6	175.4	-59.9	173.4	59.9	-158.8	-4.4	110.9	T140 F141 K145 N146 A207 A208 Q210 L212	T140-R143 WeakPolarHBondContact O-CB 3.44Å; T140-R143 PolarHBondContact O-N 2.84Å; F141-R143 PolarHBondContact O-N 2.9Å; R143-K145 VanDerWaalsContact C-N 3.3Å; R143-K145 PolarHBondContact O-N 3.11Å; R143-N146 PolarHBondContact O-N 3.21Å; R143-A207 PolarHBondContact NH1-O 3.3Å; R143-A208 VanDerWaalsContact CZ-O 3.27Å; R143-A208 PolarHBondContact NH2-O 3.36Å; R143-A208 VanDerWaalsContact NH2-O 3.11Å; R143-Q210 VanDerWaalsContact CZ-O 3.3Å; R143-Q210 PolarHBondContact NH1-O 2.86Å; R143-Q210 PolarHBondContact NH2-O 2.71Å; R143-L212 HydrophobicContact CB-CD1 4.43Å; R143-L212 HydrophobicContact CB-CD2 3.9Å
144	K	92.4	Very high	94.5	Very high	81 Å²	81	49.9 Å²	49.9	35%	0.352	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-34.7	178.7	-64.8	-177.4	-179.7	-173.8	0	112.9	T140 F141 L212 D215	T140-K144 PolarHBondContact O-N 3.11Å; F141-K144 PolarHBondContact O-N 2.77Å; F141-K144 VanDerWaalsContact O-N 3.14Å; K144-L212 HydrophobicContact CG-CD1 3.97Å; K144-L212 HydrophobicContact CG-CD2 4.29Å; K144-D215 WeakPolarHBondContact CE-OD1 3.35Å; K144-D215 IonicContact NZ-OD1 2.8Å; K144-D215 PolarHBondContact NZ-OD1 3.48Å
145	K	94.6	Very high	94.4	Very high	111 Å²	111	53 Å²	53	48%	0.483	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	7.5	-178	-61.5	-56.9	-175.9	-171.3	0	114.4	F141 R143 L147	F141-K145 HydrophobicContact CD1-CG 4.43Å; F141-K145 HydrophobicContact CE1-CB 4.35Å; F141-K145 HydrophobicContact CE1-CG 3.82Å; F141-K145 HydrophobicContact CE2-CG 3.92Å; F141-K145 HydrophobicContact CZ-CD 4.5Å; F141-K145 HydrophobicContact CZ-CG 3.54Å; F141-K145 PolarHBondContact O-N 3.2Å; R143-K145 VanDerWaalsContact C-N 3.3Å; R143-K145 PolarHBondContact O-N 3.11Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 HydrophobicContact CB-CD1 4.14Å; K145-L147 HydrophobicContact CB-CD2 4.11Å; K145-L147 HydrophobicContact CB-CG 3.81Å; K145-L147 WeakPolarHBondContact O-CD2 3.35Å; K145-L147 PolarHBondContact O-N 2.75Å
146	N	93.5	Very high	94.4	Very high	148 Å²	148	46.9 Å²	46.9	79%	0.791	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	44.9	-177.5	-166.9	30.6	0	0	0	113.8	H142 R143	H142-N146 CarbonylContact O-C 3.56Å; H142-N146 WeakPolarHBondContact O-CA 3.32Å; H142-N146 PolarHBondContact O-N 3.21Å; R143-N146 PolarHBondContact O-N 3.21Å
147	L	96.9	Very high	94.5	Very high	20 Å²	20	48.4 Å²	48.4	11%	0.105	22%	0.224	C	C	.	.			trans	-96.4	151.2	177.3	-46.2	-177.4	0	0	0	110.3	I120 F141 H142 K145	I120-L147 HydrophobicContact CB-CD2 3.97Å; I120-L147 HydrophobicContact CG2-CD1 4.21Å; I120-L147 HydrophobicContact CG2-CD2 4.35Å; F141-L147 HydrophobicContact CD1-CD1 4.22Å; F141-L147 HydrophobicContact CE1-CD1 4.03Å; H142-L147 HydrophobicContact CB-CB 4.01Å; H142-L147 PolarHBondContact O-N 2.7Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 HydrophobicContact CB-CD1 4.14Å; K145-L147 HydrophobicContact CB-CD2 4.11Å; K145-L147 HydrophobicContact CB-CG 3.81Å; K145-L147 WeakPolarHBondContact O-CD2 3.35Å; K145-L147 PolarHBondContact O-N 2.75Å
148	Q	97.2	Very high	94.7	Very high	60 Å²	60	41.4 Å²	41.4	28%	0.28	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	135.9	166.6	-176.8	60.6	38.1	0	0	109.5	V121 L122 Y150 Y166	V121-Q148 CarbonylContact C-O 3.56Å; V121-Q148 WeakPolarHBondContact CA-O 3.43Å; V121-Q148 HydrophobicContact CG2-CB 4.39Å; L122-Q148 PolarHBondContact N-O 3.08Å; Q148-Y150 HydrophobicContact CG-CD2 4.04Å; Q148-Y150 HydrophobicContact CG-CE1 4.44Å; Q148-Y150 HydrophobicContact CG-CE2 3.42Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.42Å; Q148-Y166 HydrophobicContact CB-CD1 3.87Å; Q148-Y166 HydrophobicContact CB-CD2 3.96Å; Q148-Y166 HydrophobicContact CB-CE1 3.56Å; Q148-Y166 HydrophobicContact CB-CE2 3.66Å; Q148-Y166 HydrophobicContact CB-CG 4.05Å; Q148-Y166 VanDerWaalsContact CB-CZ 3.45Å; Q148-Y166 HydrophobicContact CG-CD1 4.19Å; Q148-Y166 HydrophobicContact CG-CD2 3.71Å; Q148-Y166 HydrophobicContact CG-CE1 4.32Å; Q148-Y166 HydrophobicContact CG-CE2 3.87Å; Q148-Y166 HydrophobicContact CG-CG 3.88Å
149	Y	97.8	Very high	94.9	Very high	21 Å²	21	38.7 Å²	38.7	8%	0.082	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.1	174	176	-117.5	0	0	0	110.9	F93 L122 V139 E151 L204	F93-Y149 AromaticContact CE1-CE2 3.7Å; F93-Y149 HydrophobicContact CE1-CE2 3.7Å; F93-Y149 AromaticContact CZ-CE2 3.85Å; F93-Y149 HydrophobicContact CZ-CE2 3.85Å; L122-Y149 HydrophobicContact CB-CD2 4.12Å; L122-Y149 HydrophobicContact CD2-CD2 3.94Å; L122-Y149 HydrophobicContact CD2-CE2 4.47Å; L122-Y149 HydrophobicContact CG-CD2 3.88Å; L122-Y149 HydrophobicContact CG-CE2 4.4Å; L122-Y149 WeakPolarHBondContact O-CA 3.45Å; L122-Y149 VanDerWaalsContact O-CD2 3.29Å; L122-Y149 WeakPolarHBondContact O-CD2 3.31Å; V139-Y149 HydrophobicContact CG1-CD1 4.28Å; V139-Y149 HydrophobicContact CG1-CD2 4.15Å; V139-Y149 HydrophobicContact CG1-CE1 3.94Å; V139-Y149 HydrophobicContact CG1-CE2 3.81Å; V139-Y149 HydrophobicContact CG1-CG 4.38Å; Y149-E151 HydrophobicContact CE1-CG 3.78Å; Y149-E151 WeakPolarHBondContact OH-CG 3.36Å; Y149-E151 PolarHBondContact OH-OE1 2.68Å; Y149-L204 HydrophobicContact CD1-CD2 4.45Å; Y149-L204 HydrophobicContact CE1-CD1 3.77Å; Y149-L204 HydrophobicContact CE1-CD2 3.78Å; Y149-L204 HydrophobicContact CE1-CG 4.45Å
150	Y	97.6	Very high	94.8	Very high	45 Å²	45	38.8 Å²	38.8	18%	0.176	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141	167.6	-68.3	-60.3	0	0	0	111.1	V121 L122 C123 G124 Q148 K162 P163	V121-Y150 HydrophobicContact CG1-CD2 3.79Å; V121-Y150 HydrophobicContact CG1-CE2 4.42Å; L122-Y150 PolarHBondContact O-N 3.16Å; C123-Y150 VanDerWaalsContact CA-O 3.31Å; C123-Y150 WeakPolarHBondContact CA-O 3.41Å; G124-Y150 PolarHBondContact N-O 3.12Å; Q148-Y150 HydrophobicContact CG-CD2 4.04Å; Q148-Y150 HydrophobicContact CG-CE1 4.44Å; Q148-Y150 HydrophobicContact CG-CE2 3.42Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.42Å; Y150-K162 HydrophobicContact CD1-CB 3.98Å; Y150-K162 HydrophobicContact CD1-CD 3.83Å; Y150-K162 HydrophobicContact CD2-CB 3.94Å; Y150-K162 HydrophobicContact CE1-CB 3.98Å; Y150-K162 HydrophobicContact CE1-CD 3.81Å; Y150-K162 HydrophobicContact CE1-CG 4.46Å; Y150-K162 HydrophobicContact CE2-CB 3.91Å; Y150-K162 WeakPolarHBondContact CE2-O 3.36Å; Y150-K162 HydrophobicContact CG-CB 3.98Å; Y150-P163 HydrophobicContact CD2-CG 4.13Å
151	E	97.3	Very high	94.8	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.033	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.5	162.4	-71.3	-159.8	170.6	0	0	109.6	G124 V127 R132 Y149 Y158 N159 Q197 H200 L204	G124-E151 WeakPolarHBondContact O-CA 3.27Å; V127-E151 HydrophobicContact CG1-CB 3.86Å; V127-E151 HydrophobicContact CG1-CG 4.22Å; R132-E151 IonicContact CZ-OE1 3.25Å; R132-E151 VanDerWaalsContact CZ-OE1 3.25Å; R132-E151 IonicContact CZ-OE2 3.82Å; R132-E151 VanDerWaalsContact NH1-CD 3.29Å; R132-E151 IonicContact NH1-OE1 3.08Å; R132-E151 PolarHBondContact NH1-OE1 3.29Å; R132-E151 VanDerWaalsContact NH1-OE1 3.08Å; R132-E151 IonicContact NH1-OE2 2.87Å; R132-E151 PolarHBondContact NH1-OE2 3.24Å; R132-E151 IonicContact NH2-OE1 2.63Å; R132-E151 PolarHBondContact NH2-OE1 3.11Å; R132-E151 IonicContact NH2-OE2 3.92Å; Y149-E151 HydrophobicContact CE1-CG 3.78Å; Y149-E151 WeakPolarHBondContact OH-CG 3.36Å; Y149-E151 PolarHBondContact OH-OE1 2.68Å; E151-Y158 HydrophobicContact CB-CE1 4.5Å; E151-N159 WeakPolarHBondContact O-CB 3.36Å; E151-N159 PolarHBondContact O-ND2 2.88Å; E151-Q197 PolarHBondContact OE2-NE2 3.44Å; E151-H200 VanDerWaalsContact CD-CD2 3.49Å; E151-H200 IonicContact OE1-CD2 3.31Å; E151-H200 PolarHBondContact OE1-CD2 3.03Å; E151-H200 VanDerWaalsContact OE1-CD2 3.31Å; E151-H200 IonicContact OE1-NE2 2.9Å; E151-H200 PolarHBondContact OE1-NE2 3.47Å; E151-H200 IonicContact OE2-CD2 3.06Å; E151-H200 PolarHBondContact OE2-CD2 2.9Å; E151-H200 IonicContact OE2-NE2 3.53Å; E151-L204 HydrophobicContact CG-CD1 4.15Å; E151-L204 WeakPolarHBondContact OE1-CD1 3.48Å
152	V	97.1	Very high	94.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.199	C	C	.	.			trans	-133.6	158.3	-175.8	-59	0	0	0	0	110.5	F29 C123 G124 N125 K126 V127 Y158 N159 P163	F29-V152 HydrophobicContact CE2-CB 4.39Å; F29-V152 HydrophobicContact CE2-CG2 4.3Å; C123-V152 HydrophobicContact CB-CG2 4.15Å; G124-V152 PolarHBondContact O-N 3.37Å; N125-V152 CarbonylContact C-O 3.56Å; N125-V152 VanDerWaalsContact CA-O 3.28Å; N125-V152 WeakPolarHBondContact CA-O 3.4Å; N125-V152 HydrophobicContact CB-CG2 3.97Å; N125-V152 PolarHBondContact OD1-O 3.44Å; K126-V152 PolarHBondContact N-O 2.79Å; V127-V152 WeakPolarHBondContact CG2-O 3.13Å; V152-Y158 WeakPolarHBondContact CA-O 3.48Å; V152-N159 HydrophobicContact CG1-CB 4.16Å; V152-P163 HydrophobicContact CG1-CG 4.12Å
153	S	96.4	Very high	95.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-136.9	109.9	164.1	162.8	0	0	0	0	109.2	N125 D128 K155 S156 N157 Y158	N125-S153 WeakPolarHBondContact OD1-CA 3.45Å; D128-S153 VanDerWaalsContact OD1-CB 3.29Å; D128-S153 WeakPolarHBondContact OD1-CB 3.33Å; D128-S153 PolarHBondContact OD1-OG 2.84Å; S153-K155 PolarHBondContact O-N 3.28Å; S153-K155 VanDerWaalsContact O-N 3.13Å; S153-K155 PolarHBondContact OG-N 3.33Å; S153-S156 WeakPolarHBondContact CB-OG 2.98Å; S153-S156 PolarHBondContact O-N 2.92Å; S153-S156 PolarHBondContact OG-N 2.92Å; S153-S156 VanDerWaalsContact OG-N 3.1Å; S153-S156 PolarHBondContact OG-OG 2.83Å; S153-N157 WeakPolarHBondContact O-CA 3.46Å; S153-N157 PolarHBondContact O-N 3.33Å; S153-Y158 PolarHBondContact N-O 3.37Å; S153-Y158 VanDerWaalsContact N-O 3.1Å; S153-Y158 PolarHBondContact O-N 3.45Å
154	A	93.9	Very high	95.3	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.025	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.8	172.6	0	0	0	0	0	112.3	T28 F29 R32 F38 N125 F160	T28-A154 HydrophobicContact CG2-CB 4.25Å; F29-A154 HydrophobicContact CB-CB 4.17Å; F29-A154 HydrophobicContact CD2-CB 4.31Å; R32-A154 WeakPolarHBondContact CD-O 3.37Å; R32-A154 PolarHBondContact NH1-O 2.9Å; F38-A154 WeakPolarHBondContact CD2-O 3.14Å; N125-A154 PolarHBondContact OD1-N 2.86Å; N125-A154 VanDerWaalsContact OD1-N 3.09Å; A154-F160 HydrophobicContact CB-CE2 4.36Å
155	K	92.7	Very high	95.6	Very high	68 Å²	68	36 Å²	36	30%	0.296	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-33.3	-179.2	-162.6	-179.9	179.8	-168	0	113.5	R32 F38 D128 S153 D189 V190	R32-K155 PolarHBondContact NH1-O 2.93Å; F38-K155 HydrophobicContact CD1-CG 4.24Å; F38-K155 HydrophobicContact CD2-CB 4.24Å; F38-K155 HydrophobicContact CD2-CG 4.23Å; F38-K155 HydrophobicContact CE1-CD 4.18Å; F38-K155 HydrophobicContact CE1-CG 3.81Å; F38-K155 VanDerWaalsContact CE2-CA 3.49Å; F38-K155 HydrophobicContact CE2-CB 3.62Å; F38-K155 HydrophobicContact CE2-CG 3.76Å; F38-K155 HydrophobicContact CG-CG 4.44Å; F38-K155 HydrophobicContact CZ-CB 3.82Å; F38-K155 HydrophobicContact CZ-CD 4.01Å; F38-K155 HydrophobicContact CZ-CG 3.56Å; D128-K155 WeakPolarHBondContact OD2-CD 3.31Å; S153-K155 PolarHBondContact O-N 3.28Å; S153-K155 VanDerWaalsContact O-N 3.13Å; S153-K155 PolarHBondContact OG-N 3.33Å; K155-D189 HydrophobicContact CG-CB 4.47Å; K155-V190 HydrophobicContact CB-CG2 4.11Å; K155-V190 HydrophobicContact CD-CG1 4.07Å; K155-V190 HydrophobicContact CD-CG2 3.7Å; K155-V190 HydrophobicContact CG-CG2 3.72Å
156	S	92.1	Very high	95.8	Very high	13 Å²	13	32.7 Å²	32.7	9%	0.091	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-3	-177.1	62.7	0	0	0	0	114.5	S153 Y158 V190 I192	S153-S156 WeakPolarHBondContact CB-OG 2.98Å; S153-S156 PolarHBondContact O-N 2.92Å; S153-S156 PolarHBondContact OG-N 2.92Å; S153-S156 VanDerWaalsContact OG-N 3.1Å; S153-S156 PolarHBondContact OG-OG 2.83Å; S156-Y158 PolarHBondContact O-N 2.84Å; S156-Y158 WeakPolarHBondContact OG-CB 3.4Å; S156-Y158 PolarHBondContact OG-N 3.37Å; S156-V190 VanDerWaalsContact CB-O 3.31Å; S156-V190 WeakPolarHBondContact CB-O 3.32Å; S156-I192 VanDerWaalsContact OG-CD1 3.3Å; S156-I192 WeakPolarHBondContact OG-CD1 3.19Å; S156-I192 WeakPolarHBondContact OG-CG1 3.44Å
157	N	92.2	Very high	96	Very high	35 Å²	35	25.6 Å²	25.6	19%	0.187	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	15.3	-171	-52.7	-31.1	0	0	0	114.1	R32 S153 N159 F160 L185 A186	R32-N157 WeakPolarHBondContact CD-OD1 3.47Å; R32-N157 PolarHBondContact NE-OD1 2.66Å; R32-N157 PolarHBondContact NH1-OD1 3.28Å; R32-N157 PolarHBondContact NH2-ND2 2.94Å; R32-N157 PolarHBondContact NH2-OD1 3.04Å; S153-N157 WeakPolarHBondContact O-CA 3.46Å; S153-N157 PolarHBondContact O-N 3.33Å; N157-N159 PolarHBondContact O-N 2.95Å; N157-F160 HydrophobicContact CB-CB 4.46Å; N157-F160 WeakPolarHBondContact O-CB 3.08Å; N157-F160 PolarHBondContact O-N 3.21Å; N157-L185 HydrophobicContact CB-CD1 3.97Å; N157-A186 PolarHBondContact ND2-O 2.95Å
158	Y	94.4	Very high	96.1	Very high	30 Å²	30	24.7 Å²	24.7	12%	0.118	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-66.8	126.7	179.4	-179.6	-104.6	0	0	0	111.6	V127 E151 V152 S153 S156 F160 I192 Q197 E201	V127-Y158 HydrophobicContact CG2-CD1 3.67Å; V127-Y158 HydrophobicContact CG2-CE1 4.13Å; E151-Y158 HydrophobicContact CB-CE1 4.5Å; V152-Y158 WeakPolarHBondContact CA-O 3.48Å; S153-Y158 PolarHBondContact N-O 3.37Å; S153-Y158 VanDerWaalsContact N-O 3.1Å; S153-Y158 PolarHBondContact O-N 3.45Å; S156-Y158 PolarHBondContact O-N 2.84Å; S156-Y158 WeakPolarHBondContact OG-CB 3.4Å; S156-Y158 PolarHBondContact OG-N 3.37Å; Y158-F160 PolarHBondContact O-N 2.88Å; Y158-I192 VanDerWaalsContact CB-CD1 3.5Å; Y158-I192 HydrophobicContact CD1-CD1 4.05Å; Y158-I192 HydrophobicContact CD2-CD1 4.34Å; Y158-I192 HydrophobicContact CD2-CG1 4.48Å; Y158-I192 HydrophobicContact CD2-CG2 4.3Å; Y158-I192 HydrophobicContact CG-CD1 3.71Å; Y158-I192 HydrophobicContact CG-CG1 4.19Å; Y158-Q197 HydrophobicContact CE1-CG 3.65Å; Y158-Q197 HydrophobicContact CE2-CG 3.94Å; Y158-Q197 WeakPolarHBondContact OH-CG 3.48Å; Y158-E201 PolarHBondContact OH-OE1 3.47Å
159	N	94.6	Very high	96.1	Very high	24 Å²	24	26 Å²	26	13%	0.128	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	22.7	-178.1	-70.8	-20.4	0	0	0	114.6	E151 V152 N157 E161 K162 P163	E151-N159 WeakPolarHBondContact O-CB 3.36Å; E151-N159 PolarHBondContact O-ND2 2.88Å; V152-N159 HydrophobicContact CG1-CB 4.16Å; N157-N159 PolarHBondContact O-N 2.95Å; N159-E161 VanDerWaalsContact C-N 3.32Å; N159-E161 PolarHBondContact O-N 3.39Å; N159-K162 HydrophobicContact CB-CD 3.85Å; N159-K162 HydrophobicContact CB-CG 4.2Å; N159-K162 WeakPolarHBondContact O-CB 3.41Å; N159-K162 PolarHBondContact O-N 2.81Å; N159-K162 VanDerWaalsContact O-N 3.1Å; N159-K162 WeakPolarHBondContact OD1-CD 3.39Å; N159-K162 WeakPolarHBondContact OD1-CE 3.47Å; N159-K162 PolarHBondContact OD1-NZ 3.24Å; N159-P163 WeakPolarHBondContact O-CD 3.32Å
160	F	92.5	Very high	96.1	Very high	5 Å²	5	30.7 Å²	30.7	2%	0.022	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-40.6	-165.6	-162.9	-123.3	0	0	0	113.5	F29 R32 H33 A154 N157 Y158 L185	F29-F160 AromaticContact CD2-CD2 3.64Å; F29-F160 HydrophobicContact CD2-CD2 3.64Å; F29-F160 AromaticContact CD2-CE2 3.37Å; F29-F160 HydrophobicContact CD2-CE2 3.37Å; F29-F160 HydrophobicContact CD2-CZ 4.42Å; F29-F160 AromaticContact CE2-CD2 3.47Å; F29-F160 HydrophobicContact CE2-CD2 3.47Å; F29-F160 VanDerWaalsContact CE2-CD2 3.47Å; F29-F160 AromaticContact CE2-CE2 3.66Å; F29-F160 HydrophobicContact CE2-CE2 3.66Å; F29-F160 HydrophobicContact CE2-CG 4.35Å; F29-F160 HydrophobicContact CG-CE2 4.07Å; F29-F160 HydrophobicContact CZ-CD2 4.43Å; F29-F160 WeakPolarHBondContact CZ-O 3.02Å; F29-F160 VanDerWaalsContact O-CZ 3.26Å; F29-F160 WeakPolarHBondContact O-CZ 3.38Å; R32-F160 HydrophobicContact CB-CE1 4.39Å; R32-F160 HydrophobicContact CB-CE2 4.41Å; R32-F160 HydrophobicContact CB-CZ 3.63Å; R32-F160 HydrophobicContact CG-CE1 4.1Å; R32-F160 HydrophobicContact CG-CE2 4.5Å; R32-F160 HydrophobicContact CG-CZ 3.7Å; H33-F160 HydrophobicContact CB-CE1 4.21Å; H33-F160 HydrophobicContact CB-CZ 4.48Å; H33-F160 AromaticContact CD2-CD1 3.77Å; H33-F160 AromaticContact CD2-CE1 3.53Å; H33-F160 AromaticContact CE1-CD1 3.14Å; H33-F160 WeakPolarHBondContact CE1-CD1 3.42Å; H33-F160 AromaticContact CE1-CD2 3.59Å; H33-F160 AromaticContact CE1-CE1 3Å; H33-F160 WeakPolarHBondContact CE1-CE1 3.33Å; H33-F160 AromaticContact CE1-CE2 3.43Å; H33-F160 VanDerWaalsContact CE1-CE2 3.43Å; H33-F160 WeakPolarHBondContact CE1-CE2 3.41Å; H33-F160 AromaticContact CE1-CG 3.43Å; H33-F160 VanDerWaalsContact CE1-CG 3.43Å; H33-F160 WeakPolarHBondContact CE1-CG 3.34Å; H33-F160 AromaticContact CE1-CZ 3.13Å; H33-F160 WeakPolarHBondContact CE1-CZ 3.47Å; H33-F160 PolarHBondContact CE1-O 3.02Å; H33-F160 AromaticContact CG-CE1 3.36Å; H33-F160 AromaticContact CG-CZ 3.71Å; H33-F160 AromaticContact ND1-CD1 3.74Å; H33-F160 AromaticContact ND1-CE1 3.06Å; H33-F160 WeakPolarHBondContact ND1-CE1 3.36Å; H33-F160 AromaticContact ND1-CE2 3.63Å; H33-F160 AromaticContact ND1-CZ 2.97Å; H33-F160 WeakPolarHBondContact ND1-CZ 3.3Å; H33-F160 AromaticContact NE2-CD1 3.18Å; H33-F160 WeakPolarHBondContact NE2-CD1 3.49Å; H33-F160 AromaticContact NE2-CE1 3.33Å; H33-F160 VanDerWaalsContact NE2-CE1 3.33Å; H33-F160 WeakPolarHBondContact NE2-CE1 3.27Å; H33-F160 AromaticContact NE2-CG 3.72Å; H33-F160 AromaticContact NE2-CZ 3.95Å; H33-F160 PolarHBondContact NE2-O 3.39Å; A154-F160 HydrophobicContact CB-CE2 4.36Å; N157-F160 HydrophobicContact CB-CB 4.46Å; N157-F160 WeakPolarHBondContact O-CB 3.08Å; N157-F160 PolarHBondContact O-N 3.21Å; Y158-F160 PolarHBondContact O-N 2.88Å; F160-L185 HydrophobicContact CD1-CD1 3.66Å; F160-L185 HydrophobicContact CD1-CD2 4.04Å; F160-L185 HydrophobicContact CE1-CD1 4.09Å; F160-L185 HydrophobicContact CE1-CD2 3.62Å
161	E	94.9	Very high	96.1	Very high	51 Å²	51	30.6 Å²	30.6	24%	0.238	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-17	-178.4	-61	-178.6	98.9	0	0	114.1	N159 F164 L165 F179 P183	N159-E161 VanDerWaalsContact C-N 3.32Å; N159-E161 PolarHBondContact O-N 3.39Å; E161-F164 PolarHBondContact O-N 3.04Å; E161-F164 VanDerWaalsContact O-N 3.12Å; E161-L165 PolarHBondContact O-N 3.19Å; E161-F179 HydrophobicContact CB-CD2 4.17Å; E161-F179 HydrophobicContact CB-CE2 4.09Å; E161-P183 HydrophobicContact CG-CG 4.4Å; E161-P183 WeakPolarHBondContact OE1-CD 3.38Å
162	K	97	Very high	96.1	Very high	80 Å²	80	33.1 Å²	33.1	35%	0.348	16%	0.16	S	C	.	.	H	α-helix	trans	-57	-43	-172.8	-69.8	-170.4	177.1	167.2	0	113.2	Y150 N159 F164 L165 Y166	Y150-K162 HydrophobicContact CD1-CB 3.98Å; Y150-K162 HydrophobicContact CD1-CD 3.83Å; Y150-K162 HydrophobicContact CD2-CB 3.94Å; Y150-K162 HydrophobicContact CE1-CB 3.98Å; Y150-K162 HydrophobicContact CE1-CD 3.81Å; Y150-K162 HydrophobicContact CE1-CG 4.46Å; Y150-K162 HydrophobicContact CE2-CB 3.91Å; Y150-K162 WeakPolarHBondContact CE2-O 3.36Å; Y150-K162 HydrophobicContact CG-CB 3.98Å; N159-K162 HydrophobicContact CB-CD 3.85Å; N159-K162 HydrophobicContact CB-CG 4.2Å; N159-K162 WeakPolarHBondContact O-CB 3.41Å; N159-K162 PolarHBondContact O-N 2.81Å; N159-K162 VanDerWaalsContact O-N 3.1Å; N159-K162 WeakPolarHBondContact OD1-CD 3.39Å; N159-K162 WeakPolarHBondContact OD1-CE 3.47Å; N159-K162 PolarHBondContact OD1-NZ 3.24Å; K162-F164 PolarHBondContact O-N 3.4Å; K162-L165 PolarHBondContact O-N 3.38Å; K162-Y166 PolarHBondContact O-N 2.93Å
163	P	98.4	Very high	96	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-47.2	175.5	-26.2	36.8	0	0	0	112.7	F29 I90 V121 C123 Y150 V152 N159 Y166 L167	F29-P163 HydrophobicContact CZ-CG 4.14Å; I90-P163 HydrophobicContact CD1-CB 3.87Å; I90-P163 HydrophobicContact CG1-CB 4.46Å; V121-P163 HydrophobicContact CB-CB 4.47Å; V121-P163 HydrophobicContact CG1-CB 4.01Å; V121-P163 HydrophobicContact CG1-CG 4.41Å; C123-P163 WeakPolarHBondContact SG-CG 3.43Å; Y150-P163 HydrophobicContact CD2-CG 4.13Å; V152-P163 HydrophobicContact CG1-CG 4.12Å; N159-P163 WeakPolarHBondContact O-CD 3.32Å; P163-Y166 PolarHBondContact O-N 2.93Å; P163-L167 VanDerWaalsContact O-CG 3.29Å; P163-L167 WeakPolarHBondContact O-CG 3.22Å; P163-L167 PolarHBondContact O-N 3.45Å; P163-L167 VanDerWaalsContact O-N 3.08Å
164	F	98.1	Very high	96.1	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-66.6	-41.2	-179.1	-67.2	-80.4	0	0	0	112	L16 F29 H33 L53 F55 F64 I90 E161 K162 L167 A168 F179	L16-F164 HydrophobicContact CD1-CD1 4.01Å; L16-F164 HydrophobicContact CD1-CE1 3.75Å; F29-F164 HydrophobicContact CD1-CE2 4.37Å; F29-F164 HydrophobicContact CE1-CD2 4.4Å; F29-F164 AromaticContact CE1-CE2 3.39Å; F29-F164 HydrophobicContact CE1-CE2 3.39Å; F29-F164 AromaticContact CE1-CZ 3.86Å; F29-F164 HydrophobicContact CE1-CZ 3.86Å; F29-F164 HydrophobicContact CZ-CD2 4.4Å; F29-F164 AromaticContact CZ-CE2 3.73Å; F29-F164 HydrophobicContact CZ-CE2 3.73Å; H33-F164 AromaticContact CD2-CE2 3.85Å; H33-F164 AromaticContact CE1-CD2 3.82Å; H33-F164 AromaticContact CE1-CE2 3.28Å; H33-F164 WeakPolarHBondContact CE1-CE2 3.36Å; H33-F164 AromaticContact CG-CE2 3.96Å; H33-F164 AromaticContact ND1-CE2 3.59Å; H33-F164 AromaticContact NE2-CD2 3.51Å; H33-F164 AromaticContact NE2-CE2 3.41Å; H33-F164 WeakPolarHBondContact NE2-CE2 3.49Å; L53-F164 HydrophobicContact CD1-CE1 3.77Å; L53-F164 HydrophobicContact CD1-CZ 3.68Å; F55-F164 HydrophobicContact CE1-CB 3.97Å; F55-F164 HydrophobicContact CE1-CD2 4.35Å; F55-F164 HydrophobicContact CE1-CG 4.1Å; F55-F164 HydrophobicContact CE2-CB 4.16Å; F55-F164 AromaticContact CE2-CD1 3.69Å; F55-F164 HydrophobicContact CE2-CD1 3.69Å; F55-F164 HydrophobicContact CE2-CE1 4.21Å; F55-F164 AromaticContact CE2-CG 3.91Å; F55-F164 HydrophobicContact CE2-CG 3.91Å; F55-F164 HydrophobicContact CZ-CB 3.71Å; F55-F164 AromaticContact CZ-CD1 3.65Å; F55-F164 HydrophobicContact CZ-CD1 3.65Å; F55-F164 AromaticContact CZ-CD2 3.76Å; F55-F164 HydrophobicContact CZ-CD2 3.76Å; F55-F164 HydrophobicContact CZ-CE1 4.17Å; F55-F164 HydrophobicContact CZ-CE2 4.28Å; F55-F164 AromaticContact CZ-CG 3.41Å; F55-F164 HydrophobicContact CZ-CG 3.41Å; F55-F164 VanDerWaalsContact CZ-CG 3.41Å; F55-F164 HydrophobicContact CZ-CZ 4.46Å; F64-F164 AromaticContact CD2-CD1 3.7Å; F64-F164 HydrophobicContact CD2-CD1 3.7Å; F64-F164 HydrophobicContact CD2-CE1 4.38Å; F64-F164 HydrophobicContact CE2-CB 4.3Å; F64-F164 AromaticContact CE2-CD1 3.99Å; F64-F164 HydrophobicContact CE2-CD1 3.99Å; F64-F164 HydrophobicContact CG-CD1 4.26Å; I90-F164 HydrophobicContact CD1-CZ 4.34Å; E161-F164 PolarHBondContact O-N 3.04Å; E161-F164 VanDerWaalsContact O-N 3.12Å; K162-F164 PolarHBondContact O-N 3.4Å; F164-L167 PolarHBondContact O-N 3.14Å; F164-A168 VanDerWaalsContact O-CB 3.3Å; F164-A168 WeakPolarHBondContact O-CB 3.25Å; F164-A168 PolarHBondContact O-N 3.43Å; F164-F179 HydrophobicContact CB-CE2 4.24Å; F164-F179 HydrophobicContact CB-CZ 4.03Å
165	L	98	Very high	96.2	Very high	34 Å²	34	41.3 Å²	41.3	18%	0.178	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-43.3	177.9	179.9	58.4	0	0	0	112	E161 K162 A168 R169 L177 F179	E161-L165 PolarHBondContact O-N 3.19Å; K162-L165 PolarHBondContact O-N 3.38Å; L165-A168 PolarHBondContact O-N 2.99Å; L165-R169 HydrophobicContact CD1-CG 4.45Å; L165-R169 VanDerWaalsContact O-CG 3.32Å; L165-R169 WeakPolarHBondContact O-CG 3.11Å; L165-R169 PolarHBondContact O-N 3.09Å; L165-L177 HydrophobicContact CD1-CD2 3.73Å; L165-F179 HydrophobicContact CB-CD2 4.35Å; L165-F179 HydrophobicContact CB-CE2 3.77Å; L165-F179 HydrophobicContact CB-CZ 3.97Å; L165-F179 HydrophobicContact CD1-CD1 4.28Å; L165-F179 HydrophobicContact CD1-CE1 4.19Å; L165-F179 HydrophobicContact CD1-CE2 4.45Å; L165-F179 HydrophobicContact CD1-CG 4.44Å; L165-F179 HydrophobicContact CD1-CZ 4.28Å
166	Y	98.5	Very high	96.4	Very high	41 Å²	41	44.2 Å²	44.2	16%	0.161	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-46.8	175.2	173.7	-92	0	0	0	111.6	V121 Q148 K162 P163 R169 K170	V121-Y166 HydrophobicContact CG2-CD1 3.42Å; V121-Y166 VanDerWaalsContact CG2-CD1 3.42Å; V121-Y166 HydrophobicContact CG2-CE1 4Å; V121-Y166 HydrophobicContact CG2-CG 4.27Å; Q148-Y166 HydrophobicContact CB-CD1 3.87Å; Q148-Y166 HydrophobicContact CB-CD2 3.96Å; Q148-Y166 HydrophobicContact CB-CE1 3.56Å; Q148-Y166 HydrophobicContact CB-CE2 3.66Å; Q148-Y166 HydrophobicContact CB-CG 4.05Å; Q148-Y166 VanDerWaalsContact CB-CZ 3.45Å; Q148-Y166 HydrophobicContact CG-CD1 4.19Å; Q148-Y166 HydrophobicContact CG-CD2 3.71Å; Q148-Y166 HydrophobicContact CG-CE1 4.32Å; Q148-Y166 HydrophobicContact CG-CE2 3.87Å; Q148-Y166 HydrophobicContact CG-CG 3.88Å; K162-Y166 PolarHBondContact O-N 2.93Å; P163-Y166 PolarHBondContact O-N 2.93Å; Y166-R169 PolarHBondContact O-N 3.38Å; Y166-K170 HydrophobicContact CD1-CG 4.3Å; Y166-K170 HydrophobicContact CE1-CG 3.82Å; Y166-K170 HydrophobicContact CE2-CG 4.2Å; Y166-K170 WeakPolarHBondContact O-CG 3.38Å; Y166-K170 PolarHBondContact O-N 3.45Å; Y166-K170 WeakPolarHBondContact OH-CE 3.33Å
167	L	98.6	Very high	96.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63	-43.9	178.7	-69.5	177.8	0	0	0	111.5	L16 F64 C88 I90 P119 V121 P163 F164 R169 K170 L171	L16-L167 HydrophobicContact CD1-CD1 3.53Å; L16-L167 HydrophobicContact CG-CD1 4.35Å; F64-L167 HydrophobicContact CE1-CB 4.33Å; F64-L167 HydrophobicContact CZ-CB 4.08Å; C88-L167 HydrophobicContact CB-CD1 4.18Å; C88-L167 HydrophobicContact CB-CD2 3.8Å; C88-L167 HydrophobicContact CB-CG 4.39Å; I90-L167 HydrophobicContact CD1-CD1 4.36Å; I90-L167 HydrophobicContact CG1-CD1 3.95Å; P119-L167 HydrophobicContact CB-CD2 3.78Å; P119-L167 WeakPolarHBondContact O-CD2 3.23Å; V121-L167 HydrophobicContact CG2-CD1 4.31Å; V121-L167 HydrophobicContact CG2-CD2 3.78Å; V121-L167 HydrophobicContact CG2-CG 3.78Å; P163-L167 VanDerWaalsContact O-CG 3.29Å; P163-L167 WeakPolarHBondContact O-CG 3.22Å; P163-L167 PolarHBondContact O-N 3.45Å; P163-L167 VanDerWaalsContact O-N 3.08Å; F164-L167 PolarHBondContact O-N 3.14Å; L167-R169 PolarHBondContact O-N 2.81Å; L167-K170 PolarHBondContact O-N 2.97Å; L167-L171 WeakPolarHBondContact O-CB 3.41Å; L167-L171 WeakPolarHBondContact O-CD1 3.42Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 3.04Å
168	A	98.1	Very high	96.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-46.8	176.5	0	0	0	0	0	111.8	I62 F64 F164 L165 K170 L171 A172 L177 F179	I62-A168 HydrophobicContact CD1-CB 3.45Å; I62-A168 VanDerWaalsContact CD1-CB 3.45Å; F64-A168 HydrophobicContact CZ-CB 4.27Å; F164-A168 VanDerWaalsContact O-CB 3.3Å; F164-A168 WeakPolarHBondContact O-CB 3.25Å; F164-A168 PolarHBondContact O-N 3.43Å; L165-A168 PolarHBondContact O-N 2.99Å; A168-K170 PolarHBondContact O-N 3.04Å; A168-L171 PolarHBondContact O-N 2.99Å; A168-A172 VanDerWaalsContact O-CB 3.22Å; A168-A172 WeakPolarHBondContact O-CB 3.15Å; A168-A172 PolarHBondContact O-N 3.34Å; A168-L177 HydrophobicContact CB-CD1 4.4Å; A168-L177 HydrophobicContact CB-CD2 3.82Å; A168-F179 HydrophobicContact CB-CE1 4.45Å
169	R	98.4	Very high	97	Very high	87 Å²	87	46.2 Å²	46.2	33%	0.328	26%	0.261	S	S	.	.	H	α-helix	trans	-59.3	-45.2	175.5	-73	171.8	173.1	170	-2.1	112.3	L165 Y166 L167 G173 D174 G175 L177	L165-R169 HydrophobicContact CD1-CG 4.45Å; L165-R169 VanDerWaalsContact O-CG 3.32Å; L165-R169 WeakPolarHBondContact O-CG 3.11Å; L165-R169 PolarHBondContact O-N 3.09Å; Y166-R169 PolarHBondContact O-N 3.38Å; L167-R169 PolarHBondContact O-N 2.81Å; R169-G173 PolarHBondContact O-N 3.35Å; R169-D174 WeakPolarHBondContact CA-O 3.29Å; R169-D174 WeakPolarHBondContact CB-O 3.43Å; R169-D174 WeakPolarHBondContact CG-O 3.32Å; R169-D174 PolarHBondContact O-N 3.35Å; R169-G175 PolarHBondContact NE-O 3.49Å; R169-L177 HydrophobicContact CG-CB 4Å; R169-L177 HydrophobicContact CG-CD2 4.39Å; R169-L177 VanDerWaalsContact CZ-O 3.26Å; R169-L177 PolarHBondContact NE-O 2.78Å; R169-L177 PolarHBondContact NH2-O 2.93Å
170	K	98	Very high	97.1	Very high	119 Å²	119	49 Å²	49	52%	0.517	28%	0.278	S	S	.	.	H	α-helix	trans	-65.3	-41.9	178.8	-74.7	-62.1	-168.7	180	0	112.5	P119 Y166 L167 A168	P119-K170 HydrophobicContact CB-CB 3.85Å; P119-K170 HydrophobicContact CB-CG 4.26Å; P119-K170 HydrophobicContact CG-CB 3.74Å; Y166-K170 HydrophobicContact CD1-CG 4.3Å; Y166-K170 HydrophobicContact CE1-CG 3.82Å; Y166-K170 HydrophobicContact CE2-CG 4.2Å; Y166-K170 WeakPolarHBondContact O-CG 3.38Å; Y166-K170 PolarHBondContact O-N 3.45Å; Y166-K170 WeakPolarHBondContact OH-CE 3.33Å; L167-K170 PolarHBondContact O-N 2.97Å; A168-K170 PolarHBondContact O-N 3.04Å
171	L	97.3	Very high	96.9	Very high	44 Å²	44	54 Å²	54	23%	0.23	30%	0.302	C	S	.	.	H	α-helix	trans	-73	-36.2	-179.3	-70.9	164.6	0	0	0	112.6	F14 F64 Q87 C88 P119 L167 A168 G173	F14-L171 HydrophobicContact CB-CD1 4Å; F14-L171 HydrophobicContact CD1-CB 4.19Å; F14-L171 HydrophobicContact CD1-CD1 3.85Å; F14-L171 HydrophobicContact CD1-CD2 4.01Å; F14-L171 HydrophobicContact CD1-CG 4.25Å; F14-L171 HydrophobicContact CD2-CD1 4.09Å; F14-L171 HydrophobicContact CE1-CB 3.86Å; F14-L171 HydrophobicContact CE1-CD1 4.35Å; F14-L171 HydrophobicContact CE1-CD2 4.31Å; F14-L171 HydrophobicContact CE1-CG 4.41Å; F14-L171 HydrophobicContact CE2-CB 4.46Å; F14-L171 HydrophobicContact CG-CD1 3.71Å; F14-L171 HydrophobicContact CZ-CB 4.01Å; F64-L171 HydrophobicContact CE1-CD1 3.64Å; F64-L171 HydrophobicContact CZ-CD1 4.2Å; Q87-L171 HydrophobicContact CB-CD2 4.32Å; C88-L171 HydrophobicContact CB-CD1 4.05Å; P119-L171 HydrophobicContact CG-CD2 4.47Å; L167-L171 WeakPolarHBondContact O-CB 3.41Å; L167-L171 WeakPolarHBondContact O-CD1 3.42Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 3.04Å; A168-L171 PolarHBondContact O-N 2.99Å; L171-G173 VanDerWaalsContact C-N 3.34Å
172	A	96	Very high	96.1	Very high	59 Å²	59	56.7 Å²	56.7	49%	0.488	32%	0.321	S	S	.	.	H	α-helix	trans	-79.2	-17.3	176.2	0	0	0	0	0	113.2	A168 D174 L177	A168-A172 VanDerWaalsContact O-CB 3.22Å; A168-A172 WeakPolarHBondContact O-CB 3.15Å; A168-A172 PolarHBondContact O-N 3.34Å; A172-D174 HydrophobicContact CB-CB 4.41Å; A172-D174 PolarHBondContact O-N 2.98Å; A172-L177 HydrophobicContact CB-CD1 3.84Å
173	G	96.7	Very high	95.1	Very high	73 Å²	73	54.2 Å²	54.2	75%	0.753	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	18.9	-172.2	0	0	0	0	0	113.5	R169 L171	R169-G173 PolarHBondContact O-N 3.35Å; L171-G173 VanDerWaalsContact C-N 3.34Å
174	D	96.9	Very high	94.3	Very high	47 Å²	47	58.9 Å²	58.9	25%	0.251	35%	0.352	S	S	.	.			trans	-121.5	112	-176	-179	9.4	0	0	0	111	R169 A172 N176 L177	R169-D174 WeakPolarHBondContact CA-O 3.29Å; R169-D174 WeakPolarHBondContact CB-O 3.43Å; R169-D174 WeakPolarHBondContact CG-O 3.32Å; R169-D174 PolarHBondContact O-N 3.35Å; A172-D174 HydrophobicContact CB-CB 4.41Å; A172-D174 PolarHBondContact O-N 2.98Å; D174-N176 VanDerWaalsContact C-N 3.27Å; D174-N176 PolarHBondContact O-N 2.92Å; D174-N176 WeakPolarHBondContact OD1-CB 3.42Å; D174-N176 PolarHBondContact OD1-N 3.45Å; D174-L177 HydrophobicContact CB-CB 4.4Å
175	G	96.3	Very high	93.4	Very high	56 Å²	56	60.9 Å²	60.9	58%	0.577	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.5	177	0	0	0	0	0	114.4	R169	R169-G175 PolarHBondContact NE-O 3.49Å
176	N	97.2	Very high	92.5	Very high	128 Å²	128	61 Å²	61	68%	0.684	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-7.5	-178.1	-59.3	-53.1	0	0	0	113.2	D174 H178	D174-N176 VanDerWaalsContact C-N 3.27Å; D174-N176 PolarHBondContact O-N 2.92Å; D174-N176 WeakPolarHBondContact OD1-CB 3.42Å; D174-N176 PolarHBondContact OD1-N 3.45Å; N176-H178 PolarHBondContact O-N 3.38Å; N176-H178 PolarHBondContact O-ND1 3.11Å; N176-H178 VanDerWaalsContact O-ND1 3.11Å
177	L	97.7	Very high	91.7	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	40%	0.396	C	S	.	.			trans	-55.1	131.5	175.6	-174.8	156.4	0	0	0	109.9	T57 N58 L165 A168 R169 A172 D174 F179	T57-L177 HydrophobicContact CG2-CD1 4.27Å; T57-L177 HydrophobicContact CG2-CD2 3.9Å; T57-L177 HydrophobicContact CG2-CG 4.18Å; N58-L177 VanDerWaalsContact OD1-CA 3.31Å; N58-L177 WeakPolarHBondContact OD1-CA 3.2Å; L165-L177 HydrophobicContact CD1-CD2 3.73Å; A168-L177 HydrophobicContact CB-CD1 4.4Å; A168-L177 HydrophobicContact CB-CD2 3.82Å; R169-L177 HydrophobicContact CG-CB 4Å; R169-L177 HydrophobicContact CG-CD2 4.39Å; R169-L177 VanDerWaalsContact CZ-O 3.26Å; R169-L177 PolarHBondContact NE-O 2.78Å; R169-L177 PolarHBondContact NH2-O 2.93Å; A172-L177 HydrophobicContact CB-CD1 3.84Å; D174-L177 HydrophobicContact CB-CB 4.4Å; L177-F179 HydrophobicContact CD2-CE1 4.48Å
178	H	97.1	Very high	90.9	Very high	88 Å²	88	67.2 Å²	67.2	41%	0.407	41%	0.414	S	S	.	.			trans	-143.6	153.2	174.3	59.8	-82.5	0	0	0	110.5	T57 N58 N176	T57-H178 CarbonylContact C-O 3.53Å; T57-H178 VanDerWaalsContact CA-O 3.23Å; T57-H178 WeakPolarHBondContact CA-O 3.28Å; N58-H178 VanDerWaalsContact CB-CE1 3.42Å; N58-H178 WeakPolarHBondContact CB-CE1 3.29Å; N58-H178 PolarHBondContact N-O 3.21Å; N58-H178 PolarHBondContact OD1-N 2.93Å; N58-H178 PolarHBondContact OD1-O 3.21Å; N176-H178 PolarHBondContact O-N 3.38Å; N176-H178 PolarHBondContact O-ND1 3.11Å; N176-H178 VanDerWaalsContact O-ND1 3.11Å
179	F	96.7	Very high	89.9	Confident	29 Å²	29	70.9 Å²	70.9	13%	0.127	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-74	135.1	173	-59.3	-30.7	0	0	0	109.8	F55 F56 T57 I62 E161 F164 L165 A168 L177	F55-F179 HydrophobicContact CB-CD1 4Å; F55-F179 HydrophobicContact CB-CE1 3.62Å; F55-F179 HydrophobicContact CB-CZ 4.01Å; F55-F179 HydrophobicContact CD1-CD1 4.39Å; F55-F179 HydrophobicContact CD1-CD2 4.02Å; F55-F179 AromaticContact CD1-CE1 3.95Å; F55-F179 HydrophobicContact CD1-CE1 3.95Å; F55-F179 AromaticContact CD1-CE2 3.52Å; F55-F179 HydrophobicContact CD1-CE2 3.52Å; F55-F179 HydrophobicContact CD1-CG 4.44Å; F55-F179 AromaticContact CD1-CZ 3.48Å; F55-F179 HydrophobicContact CD1-CZ 3.48Å; F55-F179 VanDerWaalsContact CD1-CZ 3.48Å; F55-F179 AromaticContact CE1-CE2 3.91Å; F55-F179 HydrophobicContact CE1-CE2 3.91Å; F55-F179 HydrophobicContact CE1-CZ 4.1Å; F55-F179 AromaticContact CG-CE1 3.97Å; F55-F179 HydrophobicContact CG-CE1 3.97Å; F55-F179 HydrophobicContact CG-CE2 4.32Å; F55-F179 AromaticContact CG-CZ 3.81Å; F55-F179 HydrophobicContact CG-CZ 3.81Å; F56-F179 CarbonylContact O-C 3.57Å; F56-F179 VanDerWaalsContact O-CA 3.26Å; F56-F179 WeakPolarHBondContact O-CA 3.17Å; T57-F179 HydrophobicContact CG2-CD1 4.02Å; T57-F179 HydrophobicContact CG2-CE1 4.15Å; I62-F179 HydrophobicContact CD1-CE1 4.43Å; E161-F179 HydrophobicContact CB-CD2 4.17Å; E161-F179 HydrophobicContact CB-CE2 4.09Å; F164-F179 HydrophobicContact CB-CE2 4.24Å; F164-F179 HydrophobicContact CB-CZ 4.03Å; L165-F179 HydrophobicContact CB-CD2 4.35Å; L165-F179 HydrophobicContact CB-CE2 3.77Å; L165-F179 HydrophobicContact CB-CZ 3.97Å; L165-F179 HydrophobicContact CD1-CD1 4.28Å; L165-F179 HydrophobicContact CD1-CE1 4.19Å; L165-F179 HydrophobicContact CD1-CE2 4.45Å; L165-F179 HydrophobicContact CD1-CG 4.44Å; L165-F179 HydrophobicContact CD1-CZ 4.28Å; A168-F179 HydrophobicContact CB-CE1 4.45Å; L177-F179 HydrophobicContact CD2-CE1 4.48Å
180	V	96.1	Very high	89.2	Confident	81 Å²	81	68.7 Å²	68.7	49%	0.491	43%	0.43	S	S	.	.	S	Bend	trans	-100	-12.9	-180	-66.3	0	0	0	0	112.5	F56 N58	F56-V180 HydrophobicContact CB-CG2 3.84Å; F56-V180 WeakPolarHBondContact O-CG2 3.48Å; F56-V180 PolarHBondContact O-N 3.45Å; N58-V180 HydrophobicContact CB-CG1 4.03Å
181	E	89.4	Confident	88.6	Confident	111 Å²	111	69.1 Å²	69.1	52%	0.519	44%	0.443	S	S	.	.	S	Bend	trans	-131.5	141.3	175	-66	177.2	-166	0	0	108.7	F56	F56-E181 HydrophobicContact CB-CB 4.27Å; F56-E181 HydrophobicContact CB-CG 4.26Å; F56-E181 VanDerWaalsContact CD2-OE2 3.28Å; F56-E181 WeakPolarHBondContact CD2-OE2 3.44Å
182	T	78.6	Confident	88.1	Confident	107 Å²	107	68.3 Å²	68.3	66%	0.656	44%	0.438	S	S	*	.			trans	-86.6	137.8	169.8	-49.7	0	0	0	0	108.7
183	P	75.1	Confident	87.8	Confident	29 Å²	29	70.1 Å²	70.1	19%	0.188	44%	0.439	C	S	.	.			trans	-51.2	143.5	170.6	-26	31.9	0	0	0	111	F55 E161 L185	F55-P183 HydrophobicContact CE1-CG 4.45Å; E161-P183 HydrophobicContact CG-CG 4.4Å; E161-P183 WeakPolarHBondContact OE1-CD 3.38Å; P183-L185 HydrophobicContact CB-CD2 3.95Å; P183-L185 HydrophobicContact CB-CG 4.12Å; P183-L185 PolarHBondContact O-N 2.82Å
184	A	80.9	Confident	87.4	Confident	98 Å²	98	71.7 Å²	71.7	81%	0.81	43%	0.43	S	S	*	.			trans	-71.5	75.8	176.4	0	0	0	0	0	110.6	G36	G36-A184 WeakPolarHBondContact CA-O 3.12Å
185	L	79.7	Confident	87.1	Confident	43 Å²	43	72.6 Å²	72.6	23%	0.225	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-82.5	134.9	-179.1	-56.5	178.8	0	0	0	110.8	R32 N157 F160 P183	R32-L185 HydrophobicContact CG-CD2 4.34Å; R32-L185 VanDerWaalsContact O-CD2 3.25Å; R32-L185 WeakPolarHBondContact O-CD2 3.3Å; N157-L185 HydrophobicContact CB-CD1 3.97Å; F160-L185 HydrophobicContact CD1-CD1 3.66Å; F160-L185 HydrophobicContact CD1-CD2 4.04Å; F160-L185 HydrophobicContact CE1-CD1 4.09Å; F160-L185 HydrophobicContact CE1-CD2 3.62Å; P183-L185 HydrophobicContact CB-CD2 3.95Å; P183-L185 HydrophobicContact CB-CG 4.12Å; P183-L185 PolarHBondContact O-N 2.82Å
186	A	79.3	Confident	86.7	Confident	36 Å²	36	72.2 Å²	72.2	30%	0.298	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-62.5	147.1	167.2	0	0	0	0	0	109.5	R32 G36 N157	R32-A186 PolarHBondContact NH2-O 3.36Å; G36-A186 WeakPolarHBondContact O-CB 3.41Å; G36-A186 PolarHBondContact O-N 2.93Å; N157-A186 PolarHBondContact ND2-O 2.95Å
187	P	81.5	Confident	86.3	Confident	113 Å²	113	66.6 Å²	66.6	73%	0.734	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-49.2	141.2	176	-27.5	34.6	0	0	0	111.6	R32 D189	R32-P187 PolarHBondContact NH2-O 3.25Å; P187-D189 PolarHBondContact O-N 3.01Å
188	P	81.3	Confident	86	Confident	59 Å²	59	72.6 Å²	72.6	38%	0.383	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-66.4	136.9	-179	28.4	-34.5	0	0	0	111.5	V190	P188-V190 WeakPolarHBondContact CB-O 3.27Å; P188-V190 PolarHBondContact O-N 2.9Å
189	D	77.7	Confident	85.6	Confident	78 Å²	78	74.3 Å²	74.3	42%	0.417	44%	0.441	S	S	.	.	S	Bend	trans	-66.2	-19.4	173.4	-82.9	-32.6	0	0	0	112.2	F38 K40 K155 P187	F38-D189 WeakPolarHBondContact CD1-OD2 3.36Å; K40-D189 WeakPolarHBondContact CE-OD2 3.35Å; K40-D189 IonicContact NZ-OD1 3.57Å; K40-D189 IonicContact NZ-OD2 3.34Å; K40-D189 PolarHBondContact NZ-OD2 3.32Å; K155-D189 HydrophobicContact CG-CB 4.47Å; P187-D189 PolarHBondContact O-N 3.01Å
190	V	84.1	Confident	85.2	Confident	41 Å²	41	73.9 Å²	73.9	25%	0.248	44%	0.44	C	S	.	.	S	Bend	trans	-141.9	143.9	179.8	-61.9	0	0	0	0	110.9	D128 K155 S156 P188	D128-V190 HydrophobicContact CB-CG2 3.91Å; K155-V190 HydrophobicContact CB-CG2 4.11Å; K155-V190 HydrophobicContact CD-CG1 4.07Å; K155-V190 HydrophobicContact CD-CG2 3.7Å; K155-V190 HydrophobicContact CG-CG2 3.72Å; S156-V190 VanDerWaalsContact CB-O 3.31Å; S156-V190 WeakPolarHBondContact CB-O 3.32Å; P188-V190 WeakPolarHBondContact CB-O 3.27Å; P188-V190 PolarHBondContact O-N 2.9Å
191	T	85.7	Confident	84.9	Confident	128 Å²	128	73.5 Å²	73.5	79%	0.785	43%	0.433	S	S	*	.			trans	-87.1	140.4	170.6	53.6	0	0	0	0	110.3
192	I	86.9	Confident	85	Confident	26 Å²	26	71.1 Å²	71.1	13%	0.133	43%	0.432	C	S	.	.			trans	-75	137.4	168.1	-71.2	-114.1	0	0	0	109.4	V127 D128 S156 Y158 L194 Q197	V127-I192 HydrophobicContact CG2-CD1 3.66Å; D128-I192 HydrophobicContact CB-CD1 4.2Å; S156-I192 VanDerWaalsContact OG-CD1 3.3Å; S156-I192 WeakPolarHBondContact OG-CD1 3.19Å; S156-I192 WeakPolarHBondContact OG-CG1 3.44Å; Y158-I192 VanDerWaalsContact CB-CD1 3.5Å; Y158-I192 HydrophobicContact CD1-CD1 4.05Å; Y158-I192 HydrophobicContact CD2-CD1 4.34Å; Y158-I192 HydrophobicContact CD2-CG1 4.48Å; Y158-I192 HydrophobicContact CD2-CG2 4.3Å; Y158-I192 HydrophobicContact CG-CD1 3.71Å; Y158-I192 HydrophobicContact CG-CG1 4.19Å; I192-L194 HydrophobicContact CG2-CD2 4.13Å; I192-L194 PolarHBondContact O-N 3.4Å; I192-Q197 HydrophobicContact CG2-CB 3.96Å; I192-Q197 HydrophobicContact CG2-CG 4.34Å
193	D	89.6	Confident	85.6	Confident	97 Å²	97	70.3 Å²	70.3	52%	0.519	42%	0.42	S	S	.	.			trans	-72.2	93.9	164.7	-174.9	-21	0	0	0	108.6	A195 A196 Q197	D193-A195 PolarHBondContact O-N 3.25Å; D193-A195 PolarHBondContact OD1-N 3.47Å; D193-A196 HydrophobicContact CB-CB 3.97Å; D193-A196 PolarHBondContact O-N 2.96Å; D193-A196 PolarHBondContact OD1-N 3.37Å; D193-A196 VanDerWaalsContact OD1-N 3.07Å; D193-Q197 WeakPolarHBondContact O-CB 3.45Å; D193-Q197 PolarHBondContact O-N 3.35Å
194	L	88.4	Confident	86.3	Confident	107 Å²	107	70.2 Å²	70.2	56%	0.56	42%	0.418	S	S	*	.	H	α-helix	trans	-61.6	-31.6	-176.3	-68.1	175.4	0	0	0	112.3	I192 Q197 Q198	I192-L194 HydrophobicContact CG2-CD2 4.13Å; I192-L194 PolarHBondContact O-N 3.4Å; L194-Q197 PolarHBondContact O-N 3.44Å; L194-Q198 WeakPolarHBondContact O-CB 3.47Å; L194-Q198 WeakPolarHBondContact O-CG 3.26Å; L194-Q198 PolarHBondContact O-N 3.04Å
195	A	90.4	Very high	86.8	Confident	65 Å²	65	68.6 Å²	68.6	54%	0.537	41%	0.405	S	S	.	.	H	α-helix	trans	-69.8	-47.5	179.1	0	0	0	0	0	110.7	D193 Q197 Q198 Q199	D193-A195 PolarHBondContact O-N 3.25Å; D193-A195 PolarHBondContact OD1-N 3.47Å; A195-Q197 VanDerWaalsContact C-N 3.28Å; A195-Q197 PolarHBondContact O-N 2.87Å; A195-Q198 PolarHBondContact O-N 2.98Å; A195-Q199 PolarHBondContact O-N 3.33Å
196	A	88	Confident	87.3	Confident	49 Å²	49	69.3 Å²	69.3	41%	0.405	42%	0.417	S	S	.	.	H	α-helix	trans	-61.4	-39.4	174.8	0	0	0	0	0	111.7	D193 Q199 H200	D193-A196 HydrophobicContact CB-CB 3.97Å; D193-A196 PolarHBondContact O-N 2.96Å; D193-A196 PolarHBondContact OD1-N 3.37Å; D193-A196 VanDerWaalsContact OD1-N 3.07Å; A196-Q199 PolarHBondContact O-N 2.83Å; A196-H200 WeakPolarHBondContact O-CB 3.4Å; A196-H200 PolarHBondContact O-N 3.15Å
197	Q	89	Confident	87.7	Confident	10 Å²	10	68.4 Å²	68.4	5%	0.047	41%	0.41	C	S	.	.	H	α-helix	trans	-69.7	-40.6	179.7	-171	59.8	35.5	0	0	112.4	E151 Y158 I192 D193 L194 A195 H200 E201	E151-Q197 PolarHBondContact OE2-NE2 3.44Å; Y158-Q197 HydrophobicContact CE1-CG 3.65Å; Y158-Q197 HydrophobicContact CE2-CG 3.94Å; Y158-Q197 WeakPolarHBondContact OH-CG 3.48Å; I192-Q197 HydrophobicContact CG2-CB 3.96Å; I192-Q197 HydrophobicContact CG2-CG 4.34Å; D193-Q197 WeakPolarHBondContact O-CB 3.45Å; D193-Q197 PolarHBondContact O-N 3.35Å; L194-Q197 PolarHBondContact O-N 3.44Å; A195-Q197 VanDerWaalsContact C-N 3.28Å; A195-Q197 PolarHBondContact O-N 2.87Å; Q197-H200 PolarHBondContact O-N 3.27Å; Q197-E201 WeakPolarHBondContact O-CG 3.34Å; Q197-E201 PolarHBondContact O-N 2.98Å
198	Q	90.2	Very high	87.9	Confident	129 Å²	129	65.2 Å²	65.2	60%	0.603	39%	0.393	S	S	*	.	H	α-helix	trans	-63.1	-41	174.2	-78.2	172.7	-6	0	0	112	L194 A195 H200 E201 A202	L194-Q198 WeakPolarHBondContact O-CB 3.47Å; L194-Q198 WeakPolarHBondContact O-CG 3.26Å; L194-Q198 PolarHBondContact O-N 3.04Å; A195-Q198 PolarHBondContact O-N 2.98Å; Q198-H200 VanDerWaalsContact C-N 3.3Å; Q198-H200 PolarHBondContact O-N 3.43Å; Q198-E201 PolarHBondContact O-N 3.23Å; Q198-A202 PolarHBondContact O-N 3.14Å
199	Q	90.1	Very high	88.1	Confident	125 Å²	125	66.4 Å²	66.4	58%	0.584	41%	0.407	S	S	*	.	H	α-helix	trans	-59.4	-44.8	173.3	-179.3	-180	-10.6	0	0	110.7	A195 A196 A202 E203	A195-Q199 PolarHBondContact O-N 3.33Å; A196-Q199 PolarHBondContact O-N 2.83Å; Q199-A202 WeakPolarHBondContact O-CB 3.23Å; Q199-A202 PolarHBondContact O-N 3.42Å; Q199-E203 WeakPolarHBondContact O-CG 3.39Å; Q199-E203 PolarHBondContact O-N 2.74Å
200	H	88	Confident	88.5	Confident	20 Å²	20	68.5 Å²	68.5	9%	0.093	42%	0.415	C	S	.	.	H	α-helix	trans	-67.4	-38.7	179	-173	83	0	0	0	113	R132 E151 A196 Q197 Q198 A202 E203 L204	R132-H200 PolarHBondContact NE-CE1 2.99Å; R132-H200 VanDerWaalsContact NE-CE1 3.29Å; R132-H200 PolarHBondContact NH1-CD2 3.28Å; R132-H200 PolarHBondContact NH1-CE1 3.48Å; R132-H200 PolarHBondContact NH1-ND1 2.54Å; R132-H200 PolarHBondContact NH1-NE2 3.41Å; R132-H200 PolarHBondContact NH2-CE1 3.33Å; R132-H200 VanDerWaalsContact NH2-CE1 3.27Å; R132-H200 PolarHBondContact NH2-NE2 2.91Å; E151-H200 VanDerWaalsContact CD-CD2 3.49Å; E151-H200 IonicContact OE1-CD2 3.31Å; E151-H200 PolarHBondContact OE1-CD2 3.03Å; E151-H200 VanDerWaalsContact OE1-CD2 3.31Å; E151-H200 IonicContact OE1-NE2 2.9Å; E151-H200 PolarHBondContact OE1-NE2 3.47Å; E151-H200 IonicContact OE2-CD2 3.06Å; E151-H200 PolarHBondContact OE2-CD2 2.9Å; E151-H200 IonicContact OE2-NE2 3.53Å; A196-H200 WeakPolarHBondContact O-CB 3.4Å; A196-H200 PolarHBondContact O-N 3.15Å; Q197-H200 PolarHBondContact O-N 3.27Å; Q198-H200 VanDerWaalsContact C-N 3.3Å; Q198-H200 PolarHBondContact O-N 3.43Å; H200-A202 VanDerWaalsContact C-N 3.29Å; H200-A202 PolarHBondContact O-N 2.68Å; H200-E203 WeakPolarHBondContact O-CB 3.3Å; H200-E203 PolarHBondContact O-N 3.07Å; H200-E203 VanDerWaalsContact O-N 3.16Å; H200-L204 PolarHBondContact O-N 3.47Å
201	E	89.6	Confident	88.5	Confident	73 Å²	73	71.7 Å²	71.7	34%	0.341	44%	0.436	S	S	.	.	H	α-helix	trans	-59.3	-40.2	171.6	-75.6	-175.9	150.3	0	0	111.6	Y158 Q197 Q198 L204 A205	Y158-E201 PolarHBondContact OH-OE1 3.47Å; Q197-E201 WeakPolarHBondContact O-CG 3.34Å; Q197-E201 PolarHBondContact O-N 2.98Å; Q198-E201 PolarHBondContact O-N 3.23Å; E201-L204 PolarHBondContact O-N 3.46Å; E201-A205 PolarHBondContact O-N 2.79Å
202	A	91.8	Very high	88.3	Confident	61 Å²	61	68.4 Å²	68.4	50%	0.504	41%	0.414	S	S	.	.	H	α-helix	trans	-65.1	-38.8	174.1	0	0	0	0	0	112	Q198 Q199 H200 A205 A206	Q198-A202 PolarHBondContact O-N 3.14Å; Q199-A202 WeakPolarHBondContact O-CB 3.23Å; Q199-A202 PolarHBondContact O-N 3.42Å; H200-A202 VanDerWaalsContact C-N 3.29Å; H200-A202 PolarHBondContact O-N 2.68Å; A202-A205 PolarHBondContact O-N 3.37Å; A202-A206 WeakPolarHBondContact O-CB 3.48Å; A202-A206 PolarHBondContact O-N 2.76Å
203	E	91.1	Very high	87.8	Confident	89 Å²	89	70.9 Å²	70.9	42%	0.416	43%	0.431	S	S	.	.	H	α-helix	trans	-64.5	-38.9	173.9	-71	-179.5	-165.2	0	0	112.6	A136 Q199 H200 A207	A136-E203 HydrophobicContact CB-CB 3.78Å; Q199-E203 WeakPolarHBondContact O-CG 3.39Å; Q199-E203 PolarHBondContact O-N 2.74Å; H200-E203 WeakPolarHBondContact O-CB 3.3Å; H200-E203 PolarHBondContact O-N 3.07Å; H200-E203 VanDerWaalsContact O-N 3.16Å; E203-A207 VanDerWaalsContact O-CB 3.28Å; E203-A207 WeakPolarHBondContact O-CB 3.39Å; E203-A207 PolarHBondContact O-N 2.98Å
204	L	89.1	Confident	86.9	Confident	27 Å²	27	73.5 Å²	73.5	14%	0.141	45%	0.445	C	S	.	.	H	α-helix	trans	-63.7	-45.5	173.2	-77.8	167.4	0	0	0	111.7	A136 V139 Y149 E151 H200 E201 A207 A208	A136-L204 HydrophobicContact CB-CB 4.49Å; A136-L204 HydrophobicContact CB-CD2 3.78Å; A136-L204 HydrophobicContact CB-CG 3.85Å; V139-L204 HydrophobicContact CB-CD2 4.38Å; Y149-L204 HydrophobicContact CD1-CD2 4.45Å; Y149-L204 HydrophobicContact CE1-CD1 3.77Å; Y149-L204 HydrophobicContact CE1-CD2 3.78Å; Y149-L204 HydrophobicContact CE1-CG 4.45Å; E151-L204 HydrophobicContact CG-CD1 4.15Å; E151-L204 WeakPolarHBondContact OE1-CD1 3.48Å; H200-L204 PolarHBondContact O-N 3.47Å; E201-L204 PolarHBondContact O-N 3.46Å; L204-A207 PolarHBondContact O-N 3.32Å; L204-A208 WeakPolarHBondContact O-CB 3.41Å; L204-A208 PolarHBondContact O-N 3.2Å
205	A	90.5	Very high	85.6	Confident	65 Å²	65	72.7 Å²	72.7	54%	0.537	44%	0.442	S	S	.	.	H	α-helix	trans	-62.4	-43.4	177.1	0	0	0	0	0	111.4	E201 A202 A208 A209	E201-A205 PolarHBondContact O-N 2.79Å; A202-A205 PolarHBondContact O-N 3.37Å; A205-A208 PolarHBondContact O-N 3.46Å; A205-A209 PolarHBondContact O-N 3.25Å
206	A	91.4	Very high	83.7	Confident	58 Å²	58	76.4 Å²	76.4	48%	0.479	45%	0.453	S	S	.	.	H	α-helix	trans	-63.5	-41.7	175.3	0	0	0	0	0	112.1	A202 A208 A209	A202-A206 WeakPolarHBondContact O-CB 3.48Å; A202-A206 PolarHBondContact O-N 2.76Å; A206-A208 VanDerWaalsContact C-N 3.34Å; A206-A209 PolarHBondContact O-N 3.05Å
207	A	88.1	Confident	82	Confident	16 Å²	16	80.8 Å²	80.8	13%	0.132	47%	0.469	C	S	.	.	H	α-helix	trans	-66.8	-33.9	176	0	0	0	0	0	112.5	K137 R143 E203 L204 A209 Q210	K137-A207 HydrophobicContact CG-CB 4.25Å; R143-A207 PolarHBondContact NH1-O 3.3Å; E203-A207 VanDerWaalsContact O-CB 3.28Å; E203-A207 WeakPolarHBondContact O-CB 3.39Å; E203-A207 PolarHBondContact O-N 2.98Å; L204-A207 PolarHBondContact O-N 3.32Å; A207-A209 VanDerWaalsContact C-N 3.27Å; A207-A209 PolarHBondContact O-N 3.07Å; A207-Q210 PolarHBondContact O-N 2.96Å
208	A	84.8	Confident	80.1	Confident	46 Å²	46	87 Å²	87	38%	0.38	50%	0.503	S	S	.	.	H	α-helix	trans	-67.2	-28.1	175.5	0	0	0	0	0	112.7	R143 L204 A205 A206 Q210	R143-A208 VanDerWaalsContact CZ-O 3.27Å; R143-A208 PolarHBondContact NH2-O 3.36Å; R143-A208 VanDerWaalsContact NH2-O 3.11Å; L204-A208 WeakPolarHBondContact O-CB 3.41Å; L204-A208 PolarHBondContact O-N 3.2Å; A205-A208 PolarHBondContact O-N 3.46Å; A206-A208 VanDerWaalsContact C-N 3.34Å; A208-Q210 VanDerWaalsContact C-N 3.33Å
209	A	85.1	Confident	77.5	Confident	84 Å²	84	88.1 Å²	88.1	69%	0.694	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.4	175.3	0	0	0	0	0	113.9	A205 A206 A207	A205-A209 PolarHBondContact O-N 3.25Å; A206-A209 PolarHBondContact O-N 3.05Å; A207-A209 VanDerWaalsContact C-N 3.27Å; A207-A209 PolarHBondContact O-N 3.07Å
210	Q	85.8	Confident	75.4	Confident	122 Å²	122	88.6 Å²	88.6	57%	0.57	52%	0.517	S	S	*	.	S	Bend	trans	-83.4	149.6	176.6	-64	-61.8	-44.1	0	0	111.2	R143 A207 A208	R143-Q210 VanDerWaalsContact CZ-O 3.3Å; R143-Q210 PolarHBondContact NH1-O 2.86Å; R143-Q210 PolarHBondContact NH2-O 2.71Å; A207-Q210 PolarHBondContact O-N 2.96Å; A208-Q210 VanDerWaalsContact C-N 3.33Å
211	P	84.9	Confident	72.8	Confident	108 Å²	108	99.8 Å²	99.8	70%	0.701	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-50	146.4	169.2	-25	34.4	0	0	0	111.3
212	L	81.9	Confident	71.9	Confident	60 Å²	60	101.2 Å²	101.2	31%	0.314	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-64	139.1	170.2	-71.7	168.4	0	0	0	108.1	T140 R143 K144 D214	T140-L212 HydrophobicContact CG2-CD2 4.25Å; R143-L212 HydrophobicContact CB-CD1 4.43Å; R143-L212 HydrophobicContact CB-CD2 3.9Å; K144-L212 HydrophobicContact CG-CD1 3.97Å; K144-L212 HydrophobicContact CG-CD2 4.29Å; L212-D214 PolarHBondContact O-N 3.24Å
213	P	76.9	Confident	70.9	Confident	77 Å²	77	103.3 Å²	103.3	50%	0.5	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-58.4	139.9	172	25.7	-32.1	0	0	0	108.8	D215	P213-D215 PolarHBondContact O-N 3.49Å
214	D	70.8	Confident	69.7	Low	152 Å²	152	104.1 Å²	104.1	81%	0.813	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-55.5	133.6	175.5	-66.4	-39.4	0	0	0	109.3	L212 D216	L212-D214 PolarHBondContact O-N 3.24Å; D214-D216 PolarHBondContact O-N 3.48Å
215	D	59.9	Low	68.6	Low	91 Å²	91	108.6 Å²	108.6	49%	0.487	62%	0.621	S	S	.	*			trans	-72.6	84.7	-174.4	-79.6	-42.6	0	0	0	111.1	K144 P213 D217	K144-D215 WeakPolarHBondContact CE-OD1 3.35Å; K144-D215 IonicContact NZ-OD1 2.8Å; K144-D215 PolarHBondContact NZ-OD1 3.48Å; P213-D215 PolarHBondContact O-N 3.49Å; D215-D217 VanDerWaalsContact C-N 3.32Å
216	D	51.7	Low	67.2	Low	143 Å²	143	111.3 Å²	111.3	77%	0.765	63%	0.626	S	S	*	*			trans	-85.2	-0.2	170.1	-81.1	-22.9	0	0	0	113.4	D214	D214-D216 PolarHBondContact O-N 3.48Å
217	D	52.1	Low	65.6	Low	140 Å²	140	114.9 Å²	114.9	75%	0.749	64%	0.636	S	S	*	*			trans	-128.6	20.6	-165.6	-89.6	-24.9	0	0	0	116	D215 L219	D215-D217 VanDerWaalsContact C-N 3.32Å; D217-L219 PolarHBondContact O-N 3.41Å
218	D	48.3	Very low	64	Low	142 Å²	142	121.9 Å²	121.9	76%	0.759	67%	0.672	S	S	*	*			trans	-76.3	10.9	166.8	-86.6	-15.5	0	0	0	113	I220	D218-I220 PolarHBondContact O-N 3.39Å
219	L	35.7	Very low	62.4	Low	152 Å²	152	127.8 Å²	127.8	80%	0.796	70%	0.695	S	S	*	*			trans	-89.5	79.5	168.1	-74.4	163.6	0	0	0	110.5	D217	D217-L219 PolarHBondContact O-N 3.41Å
220	I	46.1	Very low	60.5	Low	134 Å²	134	131.4 Å²	131.4	69%	0.687	70%	0.695	S	S	*	*			trans	-118.2	99.7	148.9	-59	171.7	0	0	0	105.8	D218	D218-I220 PolarHBondContact O-N 3.39Å
221	E	32.3	Very low	58.2	Low	256 Å²	256	132.3 Å²	132.3	100%	1.196	71%	0.706	S	S	*	*			trans	-54.2	0	159.1	-74.8	-175.3	155.9	0	0	111.3

Retrieved 221 of 221 residues in 61.3 ms (Link to these results)

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