A0A096NIT3_PAPAN Loading...

Docking protein 4

AlphaFold DB (Q8TEW6), UniProt , Accession A0A096NIT3, Species PAPAN (Papio anubis, Olive baboon), Gene DOK4, Length 326 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	46.1	Very low	74.7	Confident	166 Å²	166	65.9 Å²	65.9	82%	0.818	36%	0.363	S	S	*	.				0	123.8	0	-82.3	-164.8	-87.6	0	0	111.7	D150 Y152	M1-D150 PolarHBondContact N-O 3.48Å; M1-D150 PolarHBondContact N-OD1 3.06Å; M1-Y152 VanDerWaalsContact O-O 3.06Å
2	A	48	Very low	76.5	Confident	49 Å²	49	61.3 Å²	61.3	41%	0.405	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	116.6	166.6	0	0	0	0	0	109.8	N4 Y152	A2-N4 PolarHBondContact O-N 2.92Å; A2-Y152 HydrophobicContact CB-CD2 4.17Å; A2-Y152 HydrophobicContact CB-CE2 3.24Å; A2-Y152 WeakPolarHBondContact CB-OH 3.46Å
3	T	56.9	Low	78	Confident	33 Å²	33	60.8 Å²	60.8	20%	0.202	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	99.6	163.7	51.3	0	0	0	0	108	F5 E154	T3-F5 PolarHBondContact O-N 3.49Å; T3-E154 PolarHBondContact OG1-N 2.84Å; T3-E154 PolarHBondContact OG1-O 2.99Å
4	N	56.8	Low	79.2	Confident	168 Å²	168	56.5 Å²	56.5	90%	0.898	31%	0.308	S	S	*	.			trans	-66	78.3	165.9	-85.6	-28.7	0	0	0	108.3	A2	A2-N4 PolarHBondContact O-N 2.92Å
5	F	66.7	Low	80.2	Confident	26 Å²	26	58.5 Å²	58.5	11%	0.114	31%	0.313	C	S	.	.			trans	-91.7	118.5	-176	-176.9	-86.6	0	0	0	109.7	T3 D7 K33 E154 I169	T3-F5 PolarHBondContact O-N 3.49Å; F5-D7 HydrophobicContact CD1-CB 4.44Å; F5-D7 HydrophobicContact CE1-CB 3.89Å; F5-K33 HydrophobicContact CE2-CD 4.46Å; F5-K33 HydrophobicContact CZ-CD 3.81Å; F5-K33 HydrophobicContact CZ-CG 4.3Å; F5-K33 VanDerWaalsContact CZ-NZ 3.27Å; F5-E154 HydrophobicContact CB-CB 3.85Å; F5-E154 HydrophobicContact CB-CG 3.6Å; F5-E154 HydrophobicContact CD1-CB 4.15Å; F5-E154 HydrophobicContact CD1-CG 3.57Å; F5-E154 HydrophobicContact CD2-CB 4.25Å; F5-E154 HydrophobicContact CE1-CG 4.29Å; F5-E154 HydrophobicContact CG-CB 3.85Å; F5-E154 HydrophobicContact CG-CG 3.67Å; F5-I169 HydrophobicContact CD2-CD1 3.78Å; F5-I169 HydrophobicContact CD2-CG1 4.29Å; F5-I169 HydrophobicContact CD2-CG2 4Å; F5-I169 HydrophobicContact CE1-CD1 4.14Å; F5-I169 HydrophobicContact CE2-CD1 3.23Å; F5-I169 HydrophobicContact CE2-CG1 3.66Å; F5-I169 HydrophobicContact CE2-CG2 4.17Å; F5-I169 HydrophobicContact CG-CD1 4.41Å; F5-I169 HydrophobicContact CZ-CD1 3.4Å; F5-I169 HydrophobicContact CZ-CG1 4.19Å
6	S	82.9	Confident	80.9	Confident	67 Å²	67	56.2 Å²	56.2	47%	0.469	30%	0.3	S	S	.	.			trans	-91.3	126.7	161.7	-176.1	0	0	0	0	108.7	I8 K33	S6-I8 WeakPolarHBondContact OG-CB 3.42Å; S6-I8 PolarHBondContact OG-N 3.29Å; S6-K33 WeakPolarHBondContact O-CE 3.31Å
7	D	89	Confident	81.4	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.011	31%	0.313	C	S	.	.			trans	-78.2	-8.9	169.5	67.4	-21.8	0	0	0	111.7	F5 V9 R32 K33 S35 R41	F5-D7 HydrophobicContact CD1-CB 4.44Å; F5-D7 HydrophobicContact CE1-CB 3.89Å; D7-V9 PolarHBondContact O-N 2.74Å; D7-R32 CarbonylContact O-C 3.59Å; D7-R32 WeakPolarHBondContact O-CA 3.21Å; D7-R32 WeakPolarHBondContact O-CB 3.25Å; D7-R32 IonicContact OD1-CZ 3.29Å; D7-R32 IonicContact OD1-NH1 3.54Å; D7-R32 PolarHBondContact OD1-NH1 3.38Å; D7-R32 WeakPolarHBondContact OD2-CD 3.39Å; D7-R32 IonicContact OD2-NH1 2.73Å; D7-K33 WeakPolarHBondContact O-CG 3.41Å; D7-K33 PolarHBondContact O-N 3.07Å; D7-S35 PolarHBondContact OD2-OG 3.4Å; D7-R41 IonicContact OD2-NH2 2.81Å; D7-R41 PolarHBondContact OD2-NH2 3.15Å
8	I	92.8	Very high	81.6	Confident	49 Å²	49	58.3 Å²	58.3	25%	0.251	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	117.2	175.7	-56	174.8	0	0	0	109	S6 Q11 V30 R32	S6-I8 WeakPolarHBondContact OG-CB 3.42Å; S6-I8 PolarHBondContact OG-N 3.29Å; I8-Q11 HydrophobicContact CG2-CB 4.3Å; I8-Q11 HydrophobicContact CG2-CG 4.25Å; I8-V30 HydrophobicContact CB-CG1 4.46Å; I8-V30 HydrophobicContact CD1-CG1 4.28Å; I8-V30 HydrophobicContact CG1-CG1 3.98Å; I8-V30 HydrophobicContact CG2-CG1 3.87Å; I8-R32 HydrophobicContact CG1-CG 4.37Å
9	V	92.8	Very high	81.6	Confident	44 Å²	44	65.6 Å²	65.6	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-48.3	175.8	-178	0	0	0	0	110.3	D7 F31 K33 T106 E110	D7-V9 PolarHBondContact O-N 2.74Å; V9-F31 HydrophobicContact CB-CD1 3.79Å; V9-F31 HydrophobicContact CB-CE1 4.17Å; V9-F31 HydrophobicContact CG1-CD1 4.11Å; V9-F31 HydrophobicContact CG1-CE1 4.26Å; V9-F31 HydrophobicContact CG2-CD1 4.25Å; V9-F31 HydrophobicContact CG2-CE1 4.25Å; V9-F31 PolarHBondContact N-O 3.2Å; V9-K33 HydrophobicContact CG2-CB 3.67Å; V9-K33 HydrophobicContact CG2-CD 4.17Å; V9-K33 HydrophobicContact CG2-CG 3.75Å; V9-T106 HydrophobicContact CB-CG2 4.48Å; V9-T106 HydrophobicContact CG1-CG2 3.3Å; V9-E110 HydrophobicContact CG1-CG 3.91Å
10	K	94.6	Very high	81.6	Confident	37 Å²	37	72.5 Å²	72.5	16%	0.161	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	145.4	178.3	-167.4	170.6	179.2	73.3	0	110.3	F31 E102 W103 T106	K10-F31 PolarHBondContact N-O 2.97Å; K10-F31 PolarHBondContact O-N 3.24Å; K10-E102 IonicContact NZ-OE2 2.82Å; K10-E102 PolarHBondContact NZ-OE2 3.02Å; K10-W103 HydrophobicContact CB-CE3 4.3Å; K10-W103 HydrophobicContact CB-CH2 4.05Å; K10-W103 HydrophobicContact CB-CZ3 3.93Å; K10-W103 HydrophobicContact CD-CD2 3.57Å; K10-W103 HydrophobicContact CD-CE3 3.77Å; K10-W103 HydrophobicContact CD-CG 3.91Å; K10-W103 HydrophobicContact CD-CH2 4.48Å; K10-W103 HydrophobicContact CD-CZ2 4.32Å; K10-W103 HydrophobicContact CD-CZ3 4.23Å; K10-W103 VanDerWaalsContact CE-CD1 3.49Å; K10-W103 HydrophobicContact CG-CD2 4.09Å; K10-W103 HydrophobicContact CG-CE3 4.13Å; K10-W103 HydrophobicContact CG-CH2 3.96Å; K10-W103 HydrophobicContact CG-CZ2 3.92Å; K10-W103 HydrophobicContact CG-CZ3 4.06Å; K10-T106 HydrophobicContact CB-CG2 4.13Å; K10-T106 HydrophobicContact CD-CG2 4.46Å
11	Q	95.3	Very high	81.7	Confident	84 Å²	84	73.6 Å²	73.6	39%	0.393	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.5	175	59.3	-178	-7.1	0	0	110.7	I8 W28 L29 V30	I8-Q11 HydrophobicContact CG2-CB 4.3Å; I8-Q11 HydrophobicContact CG2-CG 4.25Å; Q11-W28 HydrophobicContact CB-CZ2 3.91Å; Q11-W28 HydrophobicContact CG-CZ2 3.7Å; Q11-L29 CarbonylContact C-O 3.49Å; Q11-L29 WeakPolarHBondContact CA-O 3.39Å; Q11-L29 WeakPolarHBondContact CB-O 3.46Å; Q11-V30 HydrophobicContact CB-CB 4.41Å; Q11-V30 HydrophobicContact CB-CG1 4.35Å; Q11-V30 HydrophobicContact CB-CG2 4.05Å
12	G	95.8	Very high	83.5	Confident	11 Å²	11	67.4 Å²	67.4	11%	0.113	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	170.4	179.3	0	0	0	0	0	113.5	W28 L29	G12-W28 VanDerWaalsContact C-CE3 3.41Å; G12-L29 PolarHBondContact N-O 3.11Å; G12-L29 PolarHBondContact O-N 2.7Å
13	Y	96	Very high	85.4	Confident	55 Å²	55	69.8 Å²	69.8	22%	0.216	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135	172	-78.9	-72.5	0	0	0	111	R26 C27 W28 E48	Y13-R26 HydrophobicContact CD1-CG 3.84Å; Y13-R26 HydrophobicContact CG-CG 4.49Å; Y13-C27 WeakPolarHBondContact CA-O 3.31Å; Y13-W28 HydrophobicContact CD1-CE3 4.03Å; Y13-W28 AromaticContact CD2-CE3 3.48Å; Y13-W28 HydrophobicContact CD2-CE3 3.48Å; Y13-W28 VanDerWaalsContact CD2-CE3 3.48Å; Y13-W28 AromaticContact CD2-CZ3 3.46Å; Y13-W28 HydrophobicContact CD2-CZ3 3.46Å; Y13-W28 VanDerWaalsContact CD2-CZ3 3.46Å; Y13-W28 HydrophobicContact CE1-CB 4.38Å; Y13-W28 HydrophobicContact CE1-CE3 4.12Å; Y13-W28 AromaticContact CE2-CE3 3.56Å; Y13-W28 HydrophobicContact CE2-CE3 3.56Å; Y13-W28 AromaticContact CE2-CZ3 3.63Å; Y13-W28 HydrophobicContact CE2-CZ3 3.63Å; Y13-W28 AromaticContact CG-CE3 3.73Å; Y13-W28 HydrophobicContact CG-CE3 3.73Å; Y13-W28 HydrophobicContact CG-CZ3 4.11Å; Y13-W28 AromaticContact CZ-CE3 3.89Å; Y13-E48 PolarHBondContact OH-N 3.18Å
14	V	95.2	Very high	86.9	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	165.1	174	-56.9	0	0	0	0	109.9	M16 R26 C27 L29 F92 T93	V14-M16 HydrophobicContact CG2-CG 4.07Å; V14-R26 CarbonylContact O-C 3.53Å; V14-R26 WeakPolarHBondContact O-CA 3.04Å; V14-C27 PolarHBondContact N-O 3.37Å; V14-C27 PolarHBondContact O-N 2.96Å; V14-L29 HydrophobicContact CG1-CB 4.43Å; V14-L29 HydrophobicContact CG1-CD2 4.37Å; V14-L29 HydrophobicContact CG2-CB 3.8Å; V14-L29 HydrophobicContact CG2-CD2 3.96Å; V14-L29 HydrophobicContact CG2-CG 4.38Å; V14-F92 HydrophobicContact CB-CB 4.11Å; V14-F92 HydrophobicContact CB-CD2 3.99Å; V14-F92 HydrophobicContact CB-CG 4.39Å; V14-F92 HydrophobicContact CG1-CD2 3.64Å; V14-F92 HydrophobicContact CG1-CE2 4.13Å; V14-F92 HydrophobicContact CG1-CG 4.39Å; V14-F92 HydrophobicContact CG2-CB 3.96Å; V14-F92 HydrophobicContact CG2-CD2 4.43Å; V14-F92 HydrophobicContact CG2-CG 4.39Å; V14-T93 CarbonylContact C-O 3.53Å; V14-T93 WeakPolarHBondContact CA-O 3.49Å
15	K	93.7	Very high	88.6	Confident	87 Å²	87	71 Å²	71	38%	0.378	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.1	171.1	-64.9	171.1	-171.4	161.6	0	109.8	Y24 R25 F92 T93 D95	K15-Y24 HydrophobicContact CB-CD1 4.17Å; K15-R25 WeakPolarHBondContact CA-O 3.33Å; K15-F92 WeakPolarHBondContact O-CA 3.26Å; K15-T93 PolarHBondContact N-O 3.46Å; K15-T93 PolarHBondContact O-N 3.49Å; K15-D95 IonicContact NZ-OD1 3.71Å
16	M	92.5	Very high	89.9	Confident	21 Å²	21	76.4 Å²	76.4	10%	0.103	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.3	175.7	-64.4	-173.3	92.3	0	0	111	V14 S18 R25 L29 K44 F92	V14-M16 HydrophobicContact CG2-CG 4.07Å; M16-S18 PolarHBondContact O-N 2.9Å; M16-R25 PolarHBondContact N-O 3.24Å; M16-R25 PolarHBondContact O-N 2.94Å; M16-L29 HydrophobicContact SD-CD1 4.12Å; M16-K44 HydrophobicContact SD-CD 3.96Å; M16-F92 HydrophobicContact CE-CB 4.4Å; M16-F92 HydrophobicContact CG-CB 3.75Å
17	K	89.2	Confident	90.4	Very high	122 Å²	122	73.4 Å²	73.4	53%	0.53	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.8	175.7	-165.4	177.2	-178.8	-178.8	0	110.3	G22 Y24	K17-G22 WeakPolarHBondContact CE-O 3.44Å; K17-G22 WeakPolarHBondContact CG-O 3.48Å; K17-Y24 HydrophobicContact CB-CD1 4.44Å; K17-Y24 HydrophobicContact CB-CD2 4.43Å; K17-Y24 HydrophobicContact CB-CE1 4.1Å; K17-Y24 HydrophobicContact CB-CE2 4.07Å; K17-Y24 HydrophobicContact CD-CE2 4.15Å; K17-Y24 HydrophobicContact CG-CD2 4.41Å; K17-Y24 HydrophobicContact CG-CE2 4.09Å
18	S	85.2	Confident	90.7	Very high	29 Å²	29	74.3 Å²	74.3	20%	0.203	34%	0.339	C	S	.	.			trans	-69.6	130.3	171.2	178.6	0	0	0	0	110.2	M16 K20 L21 G22 I23	M16-S18 PolarHBondContact O-N 2.9Å; S18-K20 VanDerWaalsContact C-N 3.29Å; S18-K20 PolarHBondContact O-N 3.12Å; S18-K20 PolarHBondContact OG-N 3.37Å; S18-L21 PolarHBondContact OG-N 2.66Å; S18-G22 WeakPolarHBondContact O-CA 3.26Å; S18-G22 PolarHBondContact O-N 3.28Å; S18-I23 PolarHBondContact N-O 3.09Å
19	R	80.4	Confident	90.9	Very high	196 Å²	196	72 Å²	72	74%	0.74	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-33.4	172.7	-67.8	-171.5	-178.8	-174.9	-1.7	112.3
20	K	82.4	Confident	91	Very high	204 Å²	204	69.9 Å²	69.9	89%	0.887	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-38.1	-176.9	-66.4	-171.7	177.2	-174	0	113.1	S18	S18-K20 VanDerWaalsContact C-N 3.29Å; S18-K20 PolarHBondContact O-N 3.12Å; S18-K20 PolarHBondContact OG-N 3.37Å
21	L	83.2	Confident	91	Very high	96 Å²	96	68.1 Å²	68.1	50%	0.503	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-13.3	-170.7	-63.1	173.8	0	0	0	113.6	S18 I23	S18-L21 PolarHBondContact OG-N 2.66Å; L21-I23 HydrophobicContact CB-CD1 4.28Å; L21-I23 HydrophobicContact CB-CG1 4.43Å; L21-I23 PolarHBondContact O-N 3.33Å
22	G	84.7	Confident	91	Very high	36 Å²	36	65.5 Å²	65.5	37%	0.371	29%	0.293	S	S	.	.			trans	68.7	-6.6	-173.8	0	0	0	0	0	115.3	K17 S18	K17-G22 WeakPolarHBondContact CE-O 3.44Å; K17-G22 WeakPolarHBondContact CG-O 3.48Å; S18-G22 WeakPolarHBondContact O-CA 3.26Å; S18-G22 PolarHBondContact O-N 3.28Å
23	I	88.1	Confident	90.8	Very high	99 Å²	99	67.7 Å²	67.7	51%	0.508	30%	0.3	S	S	.	.			trans	-86.4	144	-177.9	-59.4	162.2	0	0	0	110.9	S18 L21	S18-I23 PolarHBondContact N-O 3.09Å; L21-I23 HydrophobicContact CB-CD1 4.28Å; L21-I23 HydrophobicContact CB-CG1 4.43Å; L21-I23 PolarHBondContact O-N 3.33Å
24	Y	88.5	Confident	90.5	Very high	84 Å²	84	67.1 Å²	67.1	33%	0.329	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	126.7	170.3	-79.7	-97	0	0	0	110.7	K15 K17 K76	K15-Y24 HydrophobicContact CB-CD1 4.17Å; K17-Y24 HydrophobicContact CB-CD1 4.44Å; K17-Y24 HydrophobicContact CB-CD2 4.43Å; K17-Y24 HydrophobicContact CB-CE1 4.1Å; K17-Y24 HydrophobicContact CB-CE2 4.07Å; K17-Y24 HydrophobicContact CD-CE2 4.15Å; K17-Y24 HydrophobicContact CG-CD2 4.41Å; K17-Y24 HydrophobicContact CG-CE2 4.09Å; Y24-K76 WeakPolarHBondContact OH-CE 3.4Å; Y24-K76 PolarHBondContact OH-NZ 2.79Å
25	R	91.5	Very high	90.3	Very high	143 Å²	143	67.2 Å²	67.2	54%	0.54	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.9	175.7	-68.1	-172.9	174.2	-172.2	-4.5	110.2	K15 M16	K15-R25 WeakPolarHBondContact CA-O 3.33Å; M16-R25 PolarHBondContact N-O 3.24Å; M16-R25 PolarHBondContact O-N 2.94Å
26	R	94.1	Very high	90.2	Very high	139 Å²	139	63.3 Å²	63.3	53%	0.525	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	136.4	170.3	-166.8	174.6	-171.3	-120.9	4.6	109	Y13 V14	Y13-R26 HydrophobicContact CD1-CG 3.84Å; Y13-R26 HydrophobicContact CG-CG 4.49Å; V14-R26 CarbonylContact O-C 3.53Å; V14-R26 WeakPolarHBondContact O-CA 3.04Å
27	C	94.1	Very high	90.1	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.02	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	158.5	177	56.4	0	0	0	0	110	Y13 V14 K44 Y45	Y13-C27 WeakPolarHBondContact CA-O 3.31Å; V14-C27 PolarHBondContact N-O 3.37Å; V14-C27 PolarHBondContact O-N 2.96Å; C27-K44 HydrophobicContact CB-CD 4.48Å; C27-K44 HydrophobicContact CB-CG 4.09Å; C27-K44 VanDerWaalsContact SG-CE 3.59Å; C27-Y45 VanDerWaalsContact CB-O 3.26Å; C27-Y45 WeakPolarHBondContact CB-O 3.34Å
28	W	95.1	Very high	90.1	Very high	21 Å²	21	61.5 Å²	61.5	8%	0.08	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.9	171.5	-173.5	-101.1	0	0	0	109.7	Q11 G12 Y13 Y45 D47 E48 V51	Q11-W28 HydrophobicContact CB-CZ2 3.91Å; Q11-W28 HydrophobicContact CG-CZ2 3.7Å; G12-W28 VanDerWaalsContact C-CE3 3.41Å; Y13-W28 HydrophobicContact CD1-CE3 4.03Å; Y13-W28 AromaticContact CD2-CE3 3.48Å; Y13-W28 HydrophobicContact CD2-CE3 3.48Å; Y13-W28 VanDerWaalsContact CD2-CE3 3.48Å; Y13-W28 AromaticContact CD2-CZ3 3.46Å; Y13-W28 HydrophobicContact CD2-CZ3 3.46Å; Y13-W28 VanDerWaalsContact CD2-CZ3 3.46Å; Y13-W28 HydrophobicContact CE1-CB 4.38Å; Y13-W28 HydrophobicContact CE1-CE3 4.12Å; Y13-W28 AromaticContact CE2-CE3 3.56Å; Y13-W28 HydrophobicContact CE2-CE3 3.56Å; Y13-W28 AromaticContact CE2-CZ3 3.63Å; Y13-W28 HydrophobicContact CE2-CZ3 3.63Å; Y13-W28 AromaticContact CG-CE3 3.73Å; Y13-W28 HydrophobicContact CG-CE3 3.73Å; Y13-W28 HydrophobicContact CG-CZ3 4.11Å; Y13-W28 AromaticContact CZ-CE3 3.89Å; W28-Y45 PolarHBondContact N-O 2.85Å; W28-Y45 PolarHBondContact O-N 3.2Å; W28-D47 VanDerWaalsContact CB-C 3.44Å; W28-E48 HydrophobicContact CD2-CB 3.85Å; W28-E48 HydrophobicContact CD2-CG 4.23Å; W28-E48 HydrophobicContact CE3-CB 3.95Å; W28-E48 HydrophobicContact CE3-CG 4.45Å; W28-E48 HydrophobicContact CG-CB 4.28Å; W28-E48 HydrophobicContact CH2-CB 4.4Å; W28-E48 HydrophobicContact CH2-CG 4.04Å; W28-E48 HydrophobicContact CZ2-CB 4.34Å; W28-E48 HydrophobicContact CZ2-CG 3.82Å; W28-E48 HydrophobicContact CZ3-CB 4.22Å; W28-E48 HydrophobicContact CZ3-CG 4.36Å; W28-V51 VanDerWaalsContact CD1-CG2 3.41Å; W28-V51 HydrophobicContact CG-CG2 4.48Å
29	L	95.7	Very high	90.3	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.9	-177.8	-162.1	69.5	0	0	0	108.9	Q11 G12 V14 M16 L42 E43 K44 F92 W103	Q11-L29 CarbonylContact C-O 3.49Å; Q11-L29 WeakPolarHBondContact CA-O 3.39Å; Q11-L29 WeakPolarHBondContact CB-O 3.46Å; G12-L29 PolarHBondContact N-O 3.11Å; G12-L29 PolarHBondContact O-N 2.7Å; V14-L29 HydrophobicContact CG1-CB 4.43Å; V14-L29 HydrophobicContact CG1-CD2 4.37Å; V14-L29 HydrophobicContact CG2-CB 3.8Å; V14-L29 HydrophobicContact CG2-CD2 3.96Å; V14-L29 HydrophobicContact CG2-CG 4.38Å; M16-L29 HydrophobicContact SD-CD1 4.12Å; L29-L42 HydrophobicContact CD1-CD1 4.03Å; L29-L42 HydrophobicContact CD1-CD2 3.79Å; L29-L42 HydrophobicContact CD1-CG 3.6Å; L29-L42 HydrophobicContact CD2-CD1 3.81Å; L29-L42 HydrophobicContact CD2-CD2 4Å; L29-L42 HydrophobicContact CD2-CG 4.14Å; L29-L42 HydrophobicContact CG-CD1 3.67Å; L29-L42 HydrophobicContact CG-CD2 4.19Å; L29-L42 HydrophobicContact CG-CG 3.86Å; L29-E43 WeakPolarHBondContact CA-O 3.4Å; L29-K44 HydrophobicContact CD1-CB 4.27Å; L29-F92 HydrophobicContact CD2-CD1 3.88Å; L29-F92 HydrophobicContact CD2-CD2 4.4Å; L29-F92 HydrophobicContact CD2-CE1 4.01Å; L29-F92 HydrophobicContact CD2-CG 4.08Å; L29-F92 HydrophobicContact CD2-CZ 4.32Å; L29-W103 HydrophobicContact CB-CH2 4.4Å; L29-W103 HydrophobicContact CD2-CH2 4.25Å; L29-W103 HydrophobicContact CD2-CZ3 4.46Å; L29-W103 HydrophobicContact CG-CH2 4.43Å
30	V	95.2	Very high	90.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.5	176.5	-174.4	0	0	0	0	108	I8 Q11 R32 E43 Y45 V51	I8-V30 HydrophobicContact CB-CG1 4.46Å; I8-V30 HydrophobicContact CD1-CG1 4.28Å; I8-V30 HydrophobicContact CG1-CG1 3.98Å; I8-V30 HydrophobicContact CG2-CG1 3.87Å; Q11-V30 HydrophobicContact CB-CB 4.41Å; Q11-V30 HydrophobicContact CB-CG1 4.35Å; Q11-V30 HydrophobicContact CB-CG2 4.05Å; V30-R32 HydrophobicContact CG1-CG 3.94Å; V30-E43 HydrophobicContact CB-CB 4.29Å; V30-E43 PolarHBondContact N-O 2.81Å; V30-E43 PolarHBondContact O-N 2.85Å; V30-Y45 HydrophobicContact CB-CE2 4.34Å; V30-Y45 HydrophobicContact CG2-CD2 4.02Å; V30-Y45 HydrophobicContact CG2-CE2 3.84Å; V30-V51 HydrophobicContact CG2-CG2 4.27Å
31	F	95.6	Very high	91.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.4	171	177.7	-123.3	0	0	0	109.3	V9 K10 Q40 L42 I62 W103 T106 L107 E110	V9-F31 HydrophobicContact CB-CD1 3.79Å; V9-F31 HydrophobicContact CB-CE1 4.17Å; V9-F31 HydrophobicContact CG1-CD1 4.11Å; V9-F31 HydrophobicContact CG1-CE1 4.26Å; V9-F31 HydrophobicContact CG2-CD1 4.25Å; V9-F31 HydrophobicContact CG2-CE1 4.25Å; V9-F31 PolarHBondContact N-O 3.2Å; K10-F31 PolarHBondContact N-O 2.97Å; K10-F31 PolarHBondContact O-N 3.24Å; F31-Q40 HydrophobicContact CE2-CG 3.59Å; F31-Q40 HydrophobicContact CZ-CG 3.79Å; F31-L42 HydrophobicContact CB-CD1 3.81Å; F31-L42 HydrophobicContact CD2-CD1 4.17Å; F31-L42 HydrophobicContact CG-CD1 4.43Å; F31-I62 HydrophobicContact CE2-CB 4.45Å; F31-I62 HydrophobicContact CE2-CG1 4.29Å; F31-I62 HydrophobicContact CE2-CG2 4.47Å; F31-W103 HydrophobicContact CB-CH2 4.34Å; F31-W103 HydrophobicContact CB-CZ3 3.78Å; F31-T106 HydrophobicContact CD1-CG2 4.48Å; F31-L107 HydrophobicContact CD1-CD2 3.83Å; F31-L107 HydrophobicContact CD2-CD2 3.86Å; F31-L107 HydrophobicContact CE1-CD2 3.88Å; F31-L107 HydrophobicContact CE2-CD2 3.9Å; F31-L107 HydrophobicContact CG-CD2 3.83Å; F31-L107 HydrophobicContact CZ-CD2 3.92Å; F31-E110 HydrophobicContact CE1-CB 3.61Å; F31-E110 HydrophobicContact CE1-CG 3.94Å; F31-E110 HydrophobicContact CZ-CB 3.84Å
32	R	94	Very high	92	Very high	29 Å²	29	41.8 Å²	41.8	11%	0.109	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.5	180	-60.5	-179.4	-175.3	-89.3	-2.4	110.3	D7 I8 V30 Q40 R41 E43	D7-R32 CarbonylContact O-C 3.59Å; D7-R32 WeakPolarHBondContact O-CA 3.21Å; D7-R32 WeakPolarHBondContact O-CB 3.25Å; D7-R32 IonicContact OD1-CZ 3.29Å; D7-R32 IonicContact OD1-NH1 3.54Å; D7-R32 PolarHBondContact OD1-NH1 3.38Å; D7-R32 WeakPolarHBondContact OD2-CD 3.39Å; D7-R32 IonicContact OD2-NH1 2.73Å; I8-R32 HydrophobicContact CG1-CG 4.37Å; V30-R32 HydrophobicContact CG1-CG 3.94Å; R32-Q40 CarbonylContact O-C 3.5Å; R32-Q40 VanDerWaalsContact O-CA 3.28Å; R32-Q40 WeakPolarHBondContact O-CA 3.17Å; R32-Q40 WeakPolarHBondContact O-CG 3.41Å; R32-R41 HydrophobicContact CB-CG 4.24Å; R32-R41 PolarHBondContact N-O 3.46Å; R32-R41 PolarHBondContact O-N 3.4Å; R32-E43 VanDerWaalsContact CD-OE1 3.28Å; R32-E43 WeakPolarHBondContact CD-OE1 3.4Å; R32-E43 IonicContact CZ-OE1 2.92Å; R32-E43 IonicContact CZ-OE2 2.85Å; R32-E43 IonicContact NE-OE1 3.56Å; R32-E43 PolarHBondContact NE-OE1 2.86Å; R32-E43 IonicContact NE-OE2 2.98Å; R32-E43 PolarHBondContact NE-OE2 2.81Å; R32-E43 IonicContact NH2-OE2 2.98Å; R32-E43 PolarHBondContact NH2-OE2 2.92Å; R32-E43 VanDerWaalsContact NH2-OE2 3.12Å
33	K	91.5	Very high	92.5	Very high	56 Å²	56	40.7 Å²	40.7	24%	0.243	19%	0.185	C	C	.	.			trans	-74.8	165.2	168	55.8	175.3	166.9	173.4	0	110.6	F5 S6 D7 V9	F5-K33 HydrophobicContact CE2-CD 4.46Å; F5-K33 HydrophobicContact CZ-CD 3.81Å; F5-K33 HydrophobicContact CZ-CG 4.3Å; F5-K33 VanDerWaalsContact CZ-NZ 3.27Å; S6-K33 WeakPolarHBondContact O-CE 3.31Å; D7-K33 WeakPolarHBondContact O-CG 3.41Å; D7-K33 PolarHBondContact O-N 3.07Å; V9-K33 HydrophobicContact CG2-CB 3.67Å; V9-K33 HydrophobicContact CG2-CD 4.17Å; V9-K33 HydrophobicContact CG2-CG 3.75Å
34	S	89.6	Confident	92.8	Very high	44 Å²	44	39.1 Å²	39.1	31%	0.308	17%	0.174	S	C	.	.			trans	-60.3	138.1	173.2	-58.2	0	0	0	0	111.1	Q40 N140	S34-Q40 PolarHBondContact OG-N 3Å; S34-N140 WeakPolarHBondContact CB-ND2 3.31Å
35	S	91.8	Very high	93	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-155.5	-179.6	178.6	65.2	0	0	0	0	110.4	D7 K37 G38 N140	D7-S35 PolarHBondContact OD2-OG 3.4Å; S35-K37 PolarHBondContact O-N 3.38Å; S35-K37 PolarHBondContact OG-N 3.48Å; S35-G38 PolarHBondContact N-O 3.22Å; S35-G38 PolarHBondContact O-N 3.43Å; S35-G38 VanDerWaalsContact O-O 3.11Å; S35-N140 WeakPolarHBondContact O-CB 3.41Å
36	S	91.3	Very high	93	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.028	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.4	172	72.7	0	0	0	0	114.5	G38 F142 E154 Q212	S36-G38 VanDerWaalsContact C-N 3.32Å; S36-F142 VanDerWaalsContact CB-N 3.35Å; S36-E154 WeakPolarHBondContact CB-OE1 3.4Å; S36-E154 WeakPolarHBondContact CB-OE2 3.41Å; S36-E154 PolarHBondContact N-OE2 3.32Å; S36-E154 VanDerWaalsContact OG-CD 3.31Å; S36-E154 PolarHBondContact OG-OE1 3.07Å; S36-E154 PolarHBondContact OG-OE2 3.19Å; S36-Q212 WeakPolarHBondContact CB-O 3.5Å
37	K	90	Very high	92.8	Very high	97 Å²	97	29.7 Å²	29.7	42%	0.422	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.1	-178	-59	174.8	-172.7	165.5	0	113.5	S35 Q214	S35-K37 PolarHBondContact O-N 3.38Å; S35-K37 PolarHBondContact OG-N 3.48Å; K37-Q214 PolarHBondContact O-NE2 3.34Å
38	G	89.4	Confident	92.8	Very high	9 Å²	9	34.1 Å²	34.1	9%	0.093	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	135	179.8	177.4	0	0	0	0	0	113.6	S35 S36 R41	S35-G38 PolarHBondContact N-O 3.22Å; S35-G38 PolarHBondContact O-N 3.43Å; S35-G38 VanDerWaalsContact O-O 3.11Å; S36-G38 VanDerWaalsContact C-N 3.32Å; G38-R41 PolarHBondContact O-NH1 2.74Å
39	P	90.7	Very high	92.4	Very high	55 Å²	55	41.1 Å²	41.1	36%	0.357	21%	0.206	S	C	.	.	S	Bend	trans	-69.4	167.1	-175.1	30.1	-36.5	0	0	0	112.4	R41 E61	P39-R41 WeakPolarHBondContact O-CG 3.09Å; P39-R41 PolarHBondContact O-N 3.35Å; P39-R41 PolarHBondContact O-NH1 2.65Å; P39-E61 HydrophobicContact CB-CG 4.27Å; P39-E61 HydrophobicContact CG-CG 4.02Å
40	Q	92.3	Very high	92	Very high	26 Å²	26	42.2 Å²	42.2	12%	0.121	21%	0.214	C	C	.	.	S	Bend	trans	-54.2	127.9	171	-174.9	176.2	-83.9	0	0	110.6	F31 R32 S34 I62 E110 C111	F31-Q40 HydrophobicContact CE2-CG 3.59Å; F31-Q40 HydrophobicContact CZ-CG 3.79Å; R32-Q40 CarbonylContact O-C 3.5Å; R32-Q40 VanDerWaalsContact O-CA 3.28Å; R32-Q40 WeakPolarHBondContact O-CA 3.17Å; R32-Q40 WeakPolarHBondContact O-CG 3.41Å; S34-Q40 PolarHBondContact OG-N 3Å; Q40-I62 HydrophobicContact CG-CB 4.19Å; Q40-I62 PolarHBondContact NE2-O 3.02Å; Q40-I62 PolarHBondContact O-N 3.3Å; Q40-E110 PolarHBondContact OE1-O 3.39Å; Q40-C111 PolarHBondContact NE2-SG 2.89Å
41	R	94.4	Very high	91.2	Very high	25 Å²	25	43.7 Å²	43.7	9%	0.094	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	157	-169.4	64.8	-169.1	178.9	-81.1	-1.3	112.9	D7 R32 G38 P39 E43 V59 T60	D7-R41 IonicContact OD2-NH2 2.81Å; D7-R41 PolarHBondContact OD2-NH2 3.15Å; R32-R41 HydrophobicContact CB-CG 4.24Å; R32-R41 PolarHBondContact N-O 3.46Å; R32-R41 PolarHBondContact O-N 3.4Å; G38-R41 PolarHBondContact O-NH1 2.74Å; P39-R41 WeakPolarHBondContact O-CG 3.09Å; P39-R41 PolarHBondContact O-N 3.35Å; P39-R41 PolarHBondContact O-NH1 2.65Å; R41-E43 HydrophobicContact CG-CG 4.27Å; R41-E43 IonicContact CZ-OE1 2.82Å; R41-E43 IonicContact NE-OE1 3.76Å; R41-E43 PolarHBondContact NE-OE1 2.82Å; R41-E43 IonicContact NH2-OE1 3.05Å; R41-E43 PolarHBondContact NH2-OE1 2.96Å; R41-V59 HydrophobicContact CB-CG1 3.95Å; R41-V59 HydrophobicContact CG-CG1 4.3Å; R41-T60 CarbonylContact C-O 3.6Å; R41-T60 WeakPolarHBondContact CA-O 3.35Å
42	L	94.8	Very high	90.1	Very high	5 Å²	5	49 Å²	49	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.7	171.6	-161.2	69.8	0	0	0	109.1	L29 F31 T60 I62	L29-L42 HydrophobicContact CD1-CD1 4.03Å; L29-L42 HydrophobicContact CD1-CD2 3.79Å; L29-L42 HydrophobicContact CD1-CG 3.6Å; L29-L42 HydrophobicContact CD2-CD1 3.81Å; L29-L42 HydrophobicContact CD2-CD2 4Å; L29-L42 HydrophobicContact CD2-CG 4.14Å; L29-L42 HydrophobicContact CG-CD1 3.67Å; L29-L42 HydrophobicContact CG-CD2 4.19Å; L29-L42 HydrophobicContact CG-CG 3.86Å; F31-L42 HydrophobicContact CB-CD1 3.81Å; F31-L42 HydrophobicContact CD2-CD1 4.17Å; F31-L42 HydrophobicContact CG-CD1 4.43Å; L42-T60 PolarHBondContact N-O 3.26Å; L42-T60 PolarHBondContact O-N 3.4Å; L42-I62 HydrophobicContact CB-CD1 3.95Å; L42-I62 HydrophobicContact CB-CG1 4.02Å
43	E	94.8	Very high	89.1	Confident	12 Å²	12	54.5 Å²	54.5	6%	0.056	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.2	178.4	-61	177.8	177.8	0	0	109.4	L29 V30 R32 R41 Y45 P57 V59	L29-E43 WeakPolarHBondContact CA-O 3.4Å; V30-E43 HydrophobicContact CB-CB 4.29Å; V30-E43 PolarHBondContact N-O 2.81Å; V30-E43 PolarHBondContact O-N 2.85Å; R32-E43 VanDerWaalsContact CD-OE1 3.28Å; R32-E43 WeakPolarHBondContact CD-OE1 3.4Å; R32-E43 IonicContact CZ-OE1 2.92Å; R32-E43 IonicContact CZ-OE2 2.85Å; R32-E43 IonicContact NE-OE1 3.56Å; R32-E43 PolarHBondContact NE-OE1 2.86Å; R32-E43 IonicContact NE-OE2 2.98Å; R32-E43 PolarHBondContact NE-OE2 2.81Å; R32-E43 IonicContact NH2-OE2 2.98Å; R32-E43 PolarHBondContact NH2-OE2 2.92Å; R32-E43 VanDerWaalsContact NH2-OE2 3.12Å; R41-E43 HydrophobicContact CG-CG 4.27Å; R41-E43 IonicContact CZ-OE1 2.82Å; R41-E43 IonicContact NE-OE1 3.76Å; R41-E43 PolarHBondContact NE-OE1 2.82Å; R41-E43 IonicContact NH2-OE1 3.05Å; R41-E43 PolarHBondContact NH2-OE1 2.96Å; E43-Y45 HydrophobicContact CB-CD2 4.26Å; E43-Y45 HydrophobicContact CB-CE2 3.49Å; E43-Y45 VanDerWaalsContact CB-CE2 3.49Å; E43-Y45 PolarHBondContact OE2-OH 2.91Å; E43-P57 HydrophobicContact CB-CB 3.98Å; E43-P57 HydrophobicContact CB-CG 4.2Å; E43-P57 HydrophobicContact CG-CG 4.19Å; E43-V59 HydrophobicContact CG-CG2 4.37Å
44	K	93.8	Very high	87.9	Confident	67 Å²	67	63 Å²	63	29%	0.291	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.8	176.3	179.1	-175.5	175.6	171.8	0	110.5	M16 C27 L29 K58	M16-K44 HydrophobicContact SD-CD 3.96Å; C27-K44 HydrophobicContact CB-CD 4.48Å; C27-K44 HydrophobicContact CB-CG 4.09Å; C27-K44 VanDerWaalsContact SG-CE 3.59Å; L29-K44 HydrophobicContact CD1-CB 4.27Å; K44-K58 HydrophobicContact CB-CB 4.36Å; K44-K58 PolarHBondContact N-O 3.4Å; K44-K58 PolarHBondContact O-N 2.82Å; K44-K58 VanDerWaalsContact O-N 3.12Å
45	Y	93.3	Very high	86.7	Confident	15 Å²	15	62.4 Å²	62.4	6%	0.059	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	153.8	175.3	-61.3	-95.7	0	0	0	110.7	C27 W28 V30 E43 D47 V51 P57	C27-Y45 VanDerWaalsContact CB-O 3.26Å; C27-Y45 WeakPolarHBondContact CB-O 3.34Å; W28-Y45 PolarHBondContact N-O 2.85Å; W28-Y45 PolarHBondContact O-N 3.2Å; V30-Y45 HydrophobicContact CB-CE2 4.34Å; V30-Y45 HydrophobicContact CG2-CD2 4.02Å; V30-Y45 HydrophobicContact CG2-CE2 3.84Å; E43-Y45 HydrophobicContact CB-CD2 4.26Å; E43-Y45 HydrophobicContact CB-CE2 3.49Å; E43-Y45 VanDerWaalsContact CB-CE2 3.49Å; E43-Y45 PolarHBondContact OE2-OH 2.91Å; Y45-D47 VanDerWaalsContact C-N 3.31Å; Y45-D47 WeakPolarHBondContact CB-O 3.35Å; Y45-D47 PolarHBondContact O-N 3.16Å; Y45-V51 HydrophobicContact CD1-CB 4.5Å; Y45-V51 HydrophobicContact CD1-CG2 3.94Å; Y45-V51 HydrophobicContact CD2-CG2 3.69Å; Y45-V51 HydrophobicContact CE1-CB 4.35Å; Y45-V51 HydrophobicContact CE1-CG2 4.12Å; Y45-V51 HydrophobicContact CE2-CG2 3.88Å; Y45-V51 HydrophobicContact CG-CG2 3.72Å; Y45-P57 HydrophobicContact CD1-CB 4.08Å; Y45-P57 HydrophobicContact CD2-CB 4.28Å; Y45-P57 HydrophobicContact CE1-CB 3.64Å; Y45-P57 HydrophobicContact CE1-CG 4.07Å; Y45-P57 HydrophobicContact CE2-CB 3.86Å; Y45-P57 HydrophobicContact CE2-CG 4.44Å; Y45-P57 HydrophobicContact CG-CB 4.38Å
46	P	91.2	Very high	85.9	Confident	94 Å²	94	68.6 Å²	68.6	61%	0.61	36%	0.363	S	S	*	.	S	Bend	trans	-58.7	-42.9	171.8	-23.3	34.3	0	0	0	112.4
47	D	91.3	Very high	85.6	Confident	58 Å²	58	70.1 Å²	70.1	31%	0.31	37%	0.373	S	S	.	.	S	Bend	trans	-152.2	174.3	-178.4	55.4	54.8	0	0	0	111.2	W28 Y45 K49 S50	W28-D47 VanDerWaalsContact CB-C 3.44Å; Y45-D47 VanDerWaalsContact C-N 3.31Å; Y45-D47 WeakPolarHBondContact CB-O 3.35Å; Y45-D47 PolarHBondContact O-N 3.16Å; D47-K49 PolarHBondContact OD1-N 3.26Å; D47-K49 VanDerWaalsContact OD1-N 3.13Å; D47-S50 VanDerWaalsContact CG-OG 3.31Å; D47-S50 WeakPolarHBondContact O-CB 3.39Å; D47-S50 PolarHBondContact O-N 3.31Å; D47-S50 WeakPolarHBondContact OD1-CB 3.47Å; D47-S50 PolarHBondContact OD1-N 3.4Å; D47-S50 PolarHBondContact OD1-OG 3.26Å
48	E	92	Very high	85.5	Confident	97 Å²	97	72 Å²	72	45%	0.453	38%	0.381	S	S	.	.	S	Bend	trans	-64	-38.5	179.5	-176.1	177	-169	0	0	112.7	Y13 W28 S50 V51	Y13-E48 PolarHBondContact OH-N 3.18Å; W28-E48 HydrophobicContact CD2-CB 3.85Å; W28-E48 HydrophobicContact CD2-CG 4.23Å; W28-E48 HydrophobicContact CE3-CB 3.95Å; W28-E48 HydrophobicContact CE3-CG 4.45Å; W28-E48 HydrophobicContact CG-CB 4.28Å; W28-E48 HydrophobicContact CH2-CB 4.4Å; W28-E48 HydrophobicContact CH2-CG 4.04Å; W28-E48 HydrophobicContact CZ2-CB 4.34Å; W28-E48 HydrophobicContact CZ2-CG 3.82Å; W28-E48 HydrophobicContact CZ3-CB 4.22Å; W28-E48 HydrophobicContact CZ3-CG 4.36Å; E48-S50 PolarHBondContact O-N 2.98Å; E48-V51 WeakPolarHBondContact O-CB 3.3Å; E48-V51 WeakPolarHBondContact O-CG2 3.4Å; E48-V51 PolarHBondContact O-N 2.9Å; E48-V51 VanDerWaalsContact O-N 3.1Å
49	K	88.4	Confident	85.6	Confident	167 Å²	167	75.2 Å²	75.2	73%	0.726	40%	0.399	S	S	*	.	H	α-helix	trans	-63.7	-31	-178.5	-62.1	-177.7	-179.7	-179.2	0	112	D47 V51 C52 L53	D47-K49 PolarHBondContact OD1-N 3.26Å; D47-K49 VanDerWaalsContact OD1-N 3.13Å; K49-V51 PolarHBondContact O-N 2.94Å; K49-C52 PolarHBondContact O-N 2.86Å; K49-L53 PolarHBondContact O-N 2.84Å
50	S	86.5	Confident	85.7	Confident	24 Å²	24	73.9 Å²	73.9	17%	0.168	39%	0.39	C	S	.	.	H	α-helix	trans	-64	-23.8	177.7	-60.1	0	0	0	0	113.3	D47 E48 G55	D47-S50 VanDerWaalsContact CG-OG 3.31Å; D47-S50 WeakPolarHBondContact O-CB 3.39Å; D47-S50 PolarHBondContact O-N 3.31Å; D47-S50 WeakPolarHBondContact OD1-CB 3.47Å; D47-S50 PolarHBondContact OD1-N 3.4Å; D47-S50 PolarHBondContact OD1-OG 3.26Å; E48-S50 PolarHBondContact O-N 2.98Å; S50-G55 PolarHBondContact O-N 3.22Å
51	V	78.5	Confident	85.7	Confident	32 Å²	32	77.6 Å²	77.6	19%	0.194	41%	0.407	C	S	.	.	H	α-helix	trans	-67	-43.1	176.2	-175.1	0	0	0	0	110.5	W28 V30 Y45 E48 K49 L53	W28-V51 VanDerWaalsContact CD1-CG2 3.41Å; W28-V51 HydrophobicContact CG-CG2 4.48Å; V30-V51 HydrophobicContact CG2-CG2 4.27Å; Y45-V51 HydrophobicContact CD1-CB 4.5Å; Y45-V51 HydrophobicContact CD1-CG2 3.94Å; Y45-V51 HydrophobicContact CD2-CG2 3.69Å; Y45-V51 HydrophobicContact CE1-CB 4.35Å; Y45-V51 HydrophobicContact CE1-CG2 4.12Å; Y45-V51 HydrophobicContact CE2-CG2 3.88Å; Y45-V51 HydrophobicContact CG-CG2 3.72Å; E48-V51 WeakPolarHBondContact O-CB 3.3Å; E48-V51 WeakPolarHBondContact O-CG2 3.4Å; E48-V51 PolarHBondContact O-N 2.9Å; E48-V51 VanDerWaalsContact O-N 3.1Å; K49-V51 PolarHBondContact O-N 2.94Å; V51-L53 VanDerWaalsContact C-N 3.35Å
52	C	72.2	Confident	85.5	Confident	112 Å²	112	76.7 Å²	76.7	76%	0.757	40%	0.404	S	S	*	.	H	α-helix	trans	-69.7	-33.4	-179	-60.7	0	0	0	0	112.3	K49 R54	K49-C52 PolarHBondContact O-N 2.86Å; C52-R54 PolarHBondContact O-N 3.44Å; C52-R54 VanDerWaalsContact O-N 3.12Å
53	L	74.2	Confident	85.2	Confident	144 Å²	144	78.7 Å²	78.7	75%	0.754	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	12.3	-176.6	-65.8	172	0	0	0	113.9	K49 V51 G55	K49-L53 PolarHBondContact O-N 2.84Å; V51-L53 VanDerWaalsContact C-N 3.35Å; L53-G55 PolarHBondContact O-N 3.49Å
54	R	65.7	Low	84.8	Confident	233 Å²	233	83.5 Å²	83.5	88%	0.879	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	33.1	-172.9	-70.4	-164.9	-170.3	-113.8	6.6	113.2	C52 C56	C52-R54 PolarHBondContact O-N 3.44Å; C52-R54 VanDerWaalsContact O-N 3.12Å; R54-C56 PolarHBondContact O-N 2.9Å
55	G	64.9	Low	84.6	Confident	33 Å²	33	81.1 Å²	81.1	34%	0.34	44%	0.435	S	S	.	.			trans	-60.3	138.5	173.3	0	0	0	0	0	109.4	S50 L53 P57	S50-G55 PolarHBondContact O-N 3.22Å; L53-G55 PolarHBondContact O-N 3.49Å; G55-P57 WeakPolarHBondContact O-CD 3.45Å
56	C	73.7	Confident	84.4	Confident	131 Å²	131	86 Å²	86	89%	0.885	46%	0.457	S	S	*	.			trans	-64.9	105	178.5	-62.4	0	0	0	0	109.7	R54	R54-C56 PolarHBondContact O-N 2.9Å
57	P	85	Confident	84.5	Confident	36 Å²	36	83.7 Å²	83.7	23%	0.234	44%	0.442	C	S	.	.			trans	-71.4	160.5	-179.2	30.4	-32.8	0	0	0	110.4	E43 Y45 G55 V59	E43-P57 HydrophobicContact CB-CB 3.98Å; E43-P57 HydrophobicContact CB-CG 4.2Å; E43-P57 HydrophobicContact CG-CG 4.19Å; Y45-P57 HydrophobicContact CD1-CB 4.08Å; Y45-P57 HydrophobicContact CD2-CB 4.28Å; Y45-P57 HydrophobicContact CE1-CB 3.64Å; Y45-P57 HydrophobicContact CE1-CG 4.07Å; Y45-P57 HydrophobicContact CE2-CB 3.86Å; Y45-P57 HydrophobicContact CE2-CG 4.44Å; Y45-P57 HydrophobicContact CG-CB 4.38Å; G55-P57 WeakPolarHBondContact O-CD 3.45Å; P57-V59 HydrophobicContact CG-CG2 3.83Å; P57-V59 PolarHBondContact O-N 2.89Å
58	K	89.3	Confident	84.6	Confident	138 Å²	138	81.3 Å²	81.3	60%	0.6	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	105.3	160.7	-175.7	171.2	-176.7	168.1	0	108.3	K44	K44-K58 HydrophobicContact CB-CB 4.36Å; K44-K58 PolarHBondContact N-O 3.4Å; K44-K58 PolarHBondContact O-N 2.82Å; K44-K58 VanDerWaalsContact O-N 3.12Å
59	V	91.5	Very high	84.6	Confident	76 Å²	76	79.3 Å²	79.3	46%	0.461	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.9	178.5	-173.8	0	0	0	0	110.2	R41 E43 P57	R41-V59 HydrophobicContact CB-CG1 3.95Å; R41-V59 HydrophobicContact CG-CG1 4.3Å; E43-V59 HydrophobicContact CG-CG2 4.37Å; P57-V59 HydrophobicContact CG-CG2 3.83Å; P57-V59 PolarHBondContact O-N 2.89Å
60	T	92.3	Very high	84.8	Confident	27 Å²	27	73.3 Å²	73.3	17%	0.166	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	113.7	163.7	-58.8	0	0	0	0	107.1	R41 L42 I62 R90	R41-T60 CarbonylContact C-O 3.6Å; R41-T60 WeakPolarHBondContact CA-O 3.35Å; L42-T60 PolarHBondContact N-O 3.26Å; L42-T60 PolarHBondContact O-N 3.4Å; T60-I62 HydrophobicContact CG2-CD1 4.26Å; T60-R90 HydrophobicContact CG2-CG 4.32Å
61	E	91.7	Very high	84.6	Confident	104 Å²	104	74.5 Å²	74.5	49%	0.486	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	136.7	170.8	-167.1	-174.7	131.1	0	0	109.6	P39 S63	P39-E61 HydrophobicContact CB-CG 4.27Å; P39-E61 HydrophobicContact CG-CG 4.02Å; E61-S63 WeakPolarHBondContact OE1-CB 3.38Å; E61-S63 PolarHBondContact OE1-OG 2.92Å
62	I	91.6	Very high	84.4	Confident	6 Å²	6	76.6 Å²	76.6	3%	0.031	42%	0.416	C	S	.	.			trans	-109.1	74.6	178.9	-54.5	-62.4	0	0	0	107.7	F31 Q40 L42 T60 V65 I82 F84 C111	F31-I62 HydrophobicContact CE2-CB 4.45Å; F31-I62 HydrophobicContact CE2-CG1 4.29Å; F31-I62 HydrophobicContact CE2-CG2 4.47Å; Q40-I62 HydrophobicContact CG-CB 4.19Å; Q40-I62 PolarHBondContact NE2-O 3.02Å; Q40-I62 PolarHBondContact O-N 3.3Å; L42-I62 HydrophobicContact CB-CD1 3.95Å; L42-I62 HydrophobicContact CB-CG1 4.02Å; T60-I62 HydrophobicContact CG2-CD1 4.26Å; I62-V65 HydrophobicContact CG2-CG2 3.42Å; I62-V65 VanDerWaalsContact CG2-CG2 3.42Å; I62-I82 HydrophobicContact CD1-CD1 4.17Å; I62-F84 HydrophobicContact CD1-CE1 4.16Å; I62-F84 HydrophobicContact CD1-CZ 3.76Å; I62-C111 VanDerWaalsContact CG2-SG 3.58Å
63	S	86.8	Confident	84.1	Confident	47 Å²	47	79.2 Å²	79.2	33%	0.329	41%	0.414	S	S	.	.			trans	-111.9	156.3	170.1	47.5	0	0	0	0	109.7	E61 V65 F84	E61-S63 WeakPolarHBondContact OE1-CB 3.38Å; E61-S63 PolarHBondContact OE1-OG 2.92Å; S63-V65 PolarHBondContact O-N 3.38Å; S63-F84 WeakPolarHBondContact O-CD1 3.35Å
64	N	86.4	Confident	83.5	Confident	113 Å²	113	80.4 Å²	80.4	60%	0.604	42%	0.416	S	S	*	.	S	Bend	trans	54.9	48.2	176.7	-49.9	-40.8	0	0	0	114.2	K66 F84 T85	N64-K66 PolarHBondContact O-N 3.41Å; N64-F84 CarbonylContact O-C 3.55Å; N64-F84 WeakPolarHBondContact O-CA 3.47Å; N64-T85 HydrophobicContact CB-CG2 4.1Å; N64-T85 WeakPolarHBondContact CB-OG1 3.42Å; N64-T85 WeakPolarHBondContact O-CG2 3.27Å; N64-T85 PolarHBondContact O-N 2.9Å
65	V	90.1	Very high	83.6	Confident	16 Å²	16	74 Å²	74	10%	0.097	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	122.7	175.2	-179.3	0	0	0	0	109.5	I62 S63 V68 I82 F84 C111 L112	I62-V65 HydrophobicContact CG2-CG2 3.42Å; I62-V65 VanDerWaalsContact CG2-CG2 3.42Å; S63-V65 PolarHBondContact O-N 3.38Å; V65-V68 HydrophobicContact CG1-CG2 4.12Å; V65-I82 HydrophobicContact CG1-CG2 3.82Å; V65-I82 HydrophobicContact CG2-CG2 3.88Å; V65-F84 HydrophobicContact CG2-CE1 4.35Å; V65-C111 HydrophobicContact CB-CB 4Å; V65-C111 HydrophobicContact CG1-CB 4.04Å; V65-C111 HydrophobicContact CG2-CB 3.9Å; V65-L112 HydrophobicContact CB-CD2 4.36Å; V65-L112 HydrophobicContact CG1-CD2 3.98Å
66	K	90.3	Very high	84.1	Confident	118 Å²	118	76.2 Å²	76.2	51%	0.513	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-49.7	175.5	179	174.5	176.2	173.5	0	110.7	N64 I83 T85 D87	N64-K66 PolarHBondContact O-N 3.41Å; K66-I83 HydrophobicContact CB-CG2 4.4Å; K66-I83 WeakPolarHBondContact CB-O 3.39Å; K66-I83 HydrophobicContact CD-CG2 4.26Å; K66-I83 PolarHBondContact N-O 2.97Å; K66-T85 HydrophobicContact CB-CG2 4.41Å; K66-D87 IonicContact NZ-OD1 2.65Å; K66-D87 PolarHBondContact NZ-OD1 3.46Å
67	C	91.8	Very high	84.4	Confident	45 Å²	45	76.5 Å²	76.5	30%	0.304	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	163.2	172.8	60.7	0	0	0	0	111.6	I83	C67-I83 PolarHBondContact N-O 3.22Å; C67-I83 PolarHBondContact O-N 3.31Å
68	V	93.1	Very high	84.6	Confident	9 Å²	9	78 Å²	78	6%	0.055	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.1	168	-171.7	0	0	0	0	106.8	V65 V80 A81 Y104 L107 C111	V65-V68 HydrophobicContact CG1-CG2 4.12Å; V68-V80 HydrophobicContact CG1-CG1 3.91Å; V68-A81 CarbonylContact C-O 3.55Å; V68-A81 WeakPolarHBondContact CA-O 3.49Å; V68-Y104 HydrophobicContact CB-CD2 4.42Å; V68-Y104 HydrophobicContact CB-CE2 4.48Å; V68-Y104 HydrophobicContact CG1-CD2 3.91Å; V68-Y104 HydrophobicContact CG1-CE2 4.45Å; V68-Y104 WeakPolarHBondContact O-CE2 3.15Å; V68-L107 HydrophobicContact CG1-CB 3.91Å; V68-L107 HydrophobicContact CG1-CD1 4.41Å; V68-L107 HydrophobicContact CG2-CB 4.1Å; V68-C111 HydrophobicContact CG2-CB 4.48Å
69	T	93.4	Very high	84.8	Confident	54 Å²	54	71.4 Å²	71.4	33%	0.331	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.7	-176	-170.8	0	0	0	0	113.2	A81 I83	T69-A81 HydrophobicContact CG2-CB 4Å; T69-A81 PolarHBondContact N-O 3.01Å; T69-A81 PolarHBondContact O-N 2.81Å; T69-I83 HydrophobicContact CG2-CD1 3.85Å
70	R	92.1	Very high	85	Confident	41 Å²	41	67.8 Å²	67.8	16%	0.155	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.8	170.8	-55.9	-77	-73.9	114.7	4.6	108.3	R77 A79 E97 A100 E101 Y104	R70-R77 PolarHBondContact NH1-O 3.12Å; R70-R77 PolarHBondContact NH2-O 2.7Å; R70-A79 PolarHBondContact NH1-O 2.87Å; R70-E97 IonicContact CZ-OE1 2.72Å; R70-E97 IonicContact NH2-OE1 2.79Å; R70-E97 PolarHBondContact NH2-OE1 3.03Å; R70-E97 IonicContact NH2-OE2 3.53Å; R70-E97 PolarHBondContact NH2-OE2 3.38Å; R70-A100 VanDerWaalsContact CZ-CB 3.4Å; R70-E101 IonicContact NE-OE2 3.81Å; R70-Y104 HydrophobicContact CG-CD1 4.22Å; R70-Y104 HydrophobicContact CG-CD2 4.11Å; R70-Y104 HydrophobicContact CG-CG 3.93Å
71	L	83.1	Confident	85.1	Confident	50 Å²	50	66.7 Å²	66.7	26%	0.262	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-77.9	147.7	175.7	-68.4	-178.1	0	0	0	111.6	K76 A79 T91	L71-K76 HydrophobicContact CB-CB 4.43Å; L71-K76 HydrophobicContact CD1-CB 4.2Å; L71-K76 HydrophobicContact CD1-CD 4.26Å; L71-A79 HydrophobicContact CB-CB 4.15Å; L71-A79 HydrophobicContact CD1-CB 3.74Å; L71-A79 HydrophobicContact CG-CB 4.09Å; L71-A79 PolarHBondContact N-O 2.85Å; L71-T91 HydrophobicContact CD1-CG2 3.91Å
72	P	73.2	Confident	85.2	Confident	76 Å²	76	61.8 Å²	61.8	49%	0.494	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-55.5	149.4	179.4	-26.2	34.3	0	0	0	113.7	E74 T75 K76	P72-E74 PolarHBondContact O-N 2.93Å; P72-T75 PolarHBondContact O-N 3.49Å; P72-T75 VanDerWaalsContact O-N 3.16Å; P72-T75 PolarHBondContact O-OG1 3.16Å; P72-K76 PolarHBondContact O-N 3.37Å
73	K	66.8	Low	85.3	Confident	166 Å²	166	63.6 Å²	63.6	72%	0.722	32%	0.319	S	S	*	.	H	α-helix	trans	-57.2	-33.4	-172.5	-68.2	-176.1	177.9	172.8	0	113	T75 R77	K73-T75 VanDerWaalsContact C-N 3.27Å; K73-T75 PolarHBondContact O-N 3.02Å; K73-R77 HydrophobicContact CG-CG 4.28Å
74	E	61.6	Low	85.5	Confident	170 Å²	170	62.1 Å²	62.1	79%	0.794	31%	0.307	S	S	*	.	H	α-helix	trans	-71.2	-22	-175.9	-54.9	90.3	-173.9	0	0	113.4	P72	P72-E74 PolarHBondContact O-N 2.93Å
75	T	66.2	Low	85.8	Confident	98 Å²	98	61 Å²	61	60%	0.601	30%	0.304	S	S	*	.	H	α-helix	trans	-104.7	-54.6	-172.9	59.6	0	0	0	0	112.2	P72 K73	P72-T75 PolarHBondContact O-N 3.49Å; P72-T75 VanDerWaalsContact O-N 3.16Å; P72-T75 PolarHBondContact O-OG1 3.16Å; K73-T75 VanDerWaalsContact C-N 3.27Å; K73-T75 PolarHBondContact O-N 3.02Å
76	K	75.7	Confident	85.9	Confident	80 Å²	80	65.6 Å²	65.6	35%	0.348	33%	0.328	S	S	.	.	H	α-helix	trans	-157.9	70.3	-172.5	-61.5	-175.6	-177	142.9	0	110.9	Y24 L71 P72 Q78 A79	Y24-K76 WeakPolarHBondContact OH-CE 3.4Å; Y24-K76 PolarHBondContact OH-NZ 2.79Å; L71-K76 HydrophobicContact CB-CB 4.43Å; L71-K76 HydrophobicContact CD1-CB 4.2Å; L71-K76 HydrophobicContact CD1-CD 4.26Å; P72-K76 PolarHBondContact O-N 3.37Å; K76-Q78 PolarHBondContact O-N 3.07Å; K76-A79 HydrophobicContact CB-CB 3.6Å; K76-A79 VanDerWaalsContact O-CB 3.26Å; K76-A79 WeakPolarHBondContact O-CB 3.4Å; K76-A79 PolarHBondContact O-N 2.93Å
77	R	80	Confident	85.9	Confident	137 Å²	137	65.4 Å²	65.4	52%	0.517	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-38.1	-177.2	-164	-166.3	158.2	174.7	1.2	114.4	R70 K73 A79 E97	R70-R77 PolarHBondContact NH1-O 3.12Å; R70-R77 PolarHBondContact NH2-O 2.7Å; K73-R77 HydrophobicContact CG-CG 4.28Å; R77-A79 PolarHBondContact O-N 3.45Å; R77-E97 WeakPolarHBondContact CD-OE2 3.39Å; R77-E97 VanDerWaalsContact CG-OE2 3.24Å; R77-E97 WeakPolarHBondContact CG-OE2 3.43Å; R77-E97 IonicContact CZ-OE2 2.85Å; R77-E97 IonicContact NE-OE2 3.89Å; R77-E97 PolarHBondContact NE-OE2 2.98Å; R77-E97 IonicContact NH2-OE2 3.38Å
78	Q	90.6	Very high	85.9	Confident	67 Å²	67	65 Å²	65	31%	0.313	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	12.9	-177.1	-60.6	168	-29.5	0	0	113.9	K76 T93 C94 D95 A100	K76-Q78 PolarHBondContact O-N 3.07Å; Q78-T93 HydrophobicContact CB-CG2 3.81Å; Q78-T93 WeakPolarHBondContact O-CA 3.33Å; Q78-C94 WeakPolarHBondContact CB-O 3.44Å; Q78-C94 PolarHBondContact O-N 3.34Å; Q78-C94 PolarHBondContact OE1-O 2.93Å; Q78-C94 VanDerWaalsContact OE1-O 3.08Å; Q78-D95 PolarHBondContact NE2-O 3.41Å; Q78-A100 HydrophobicContact CB-CB 4.48Å; Q78-A100 WeakPolarHBondContact O-CB 3.45Å
79	A	93.2	Very high	85.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138.8	-175.7	0	0	0	0	0	114.1	R70 L71 K76 R77 T91 F92	R70-A79 PolarHBondContact NH1-O 2.87Å; L71-A79 HydrophobicContact CB-CB 4.15Å; L71-A79 HydrophobicContact CD1-CB 3.74Å; L71-A79 HydrophobicContact CG-CB 4.09Å; L71-A79 PolarHBondContact N-O 2.85Å; K76-A79 HydrophobicContact CB-CB 3.6Å; K76-A79 VanDerWaalsContact O-CB 3.26Å; K76-A79 WeakPolarHBondContact O-CB 3.4Å; K76-A79 PolarHBondContact O-N 2.93Å; R77-A79 PolarHBondContact O-N 3.45Å; A79-T91 HydrophobicContact CB-CG2 4.17Å; A79-F92 CarbonylContact C-O 3.53Å; A79-F92 WeakPolarHBondContact CA-O 3.36Å
80	V	94.8	Very high	85.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.6	174.1	-176.4	0	0	0	0	107.8	V68 T91 F92 A100 W103 L107	V68-V80 HydrophobicContact CG1-CG1 3.91Å; V80-T91 VanDerWaalsContact O-CA 3.3Å; V80-T91 WeakPolarHBondContact O-CA 3.1Å; V80-F92 HydrophobicContact CB-CD2 4.42Å; V80-F92 HydrophobicContact CB-CE1 4.18Å; V80-F92 HydrophobicContact CB-CE2 3.85Å; V80-F92 HydrophobicContact CB-CZ 3.72Å; V80-F92 HydrophobicContact CG1-CE1 4.33Å; V80-F92 HydrophobicContact CG1-CZ 3.97Å; V80-F92 HydrophobicContact CG2-CE2 4.11Å; V80-F92 HydrophobicContact CG2-CZ 4.31Å; V80-F92 PolarHBondContact N-O 3.26Å; V80-F92 PolarHBondContact O-N 3.08Å; V80-A100 HydrophobicContact CG2-CB 4.18Å; V80-A100 VanDerWaalsContact CG2-O 3.25Å; V80-A100 WeakPolarHBondContact CG2-O 3.39Å; V80-W103 HydrophobicContact CG2-CB 4.15Å; V80-L107 HydrophobicContact CG1-CD1 4.02Å
81	A	93.9	Very high	85.8	Confident	4 Å²	4	67.4 Å²	67.4	3%	0.033	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.3	177.6	0	0	0	0	0	110.6	V68 T69 R90 T91	V68-A81 CarbonylContact C-O 3.55Å; V68-A81 WeakPolarHBondContact CA-O 3.49Å; T69-A81 HydrophobicContact CG2-CB 4Å; T69-A81 PolarHBondContact N-O 3.01Å; T69-A81 PolarHBondContact O-N 2.81Å; A81-R90 WeakPolarHBondContact CA-O 3.38Å; A81-T91 HydrophobicContact CB-CG2 4.27Å
82	I	94.3	Very high	86.3	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.7	167.7	-53.4	170	0	0	0	106.3	I62 V65 F84 A89 R90 L107	I62-I82 HydrophobicContact CD1-CD1 4.17Å; V65-I82 HydrophobicContact CG1-CG2 3.82Å; V65-I82 HydrophobicContact CG2-CG2 3.88Å; I82-F84 HydrophobicContact CB-CE2 4.35Å; I82-F84 HydrophobicContact CG2-CE1 4.4Å; I82-F84 HydrophobicContact CG2-CE2 4.01Å; I82-F84 HydrophobicContact CG2-CZ 3.9Å; I82-A89 CarbonylContact O-C 3.54Å; I82-A89 VanDerWaalsContact O-CA 3.24Å; I82-A89 WeakPolarHBondContact O-CA 3.47Å; I82-R90 PolarHBondContact N-O 3.46Å; I82-R90 PolarHBondContact O-N 3.39Å; I82-L107 HydrophobicContact CD1-CD1 3.95Å; I82-L107 HydrophobicContact CD1-CD2 3.94Å; I82-L107 HydrophobicContact CG1-CD1 4.03Å
83	I	93.3	Very high	87.4	Confident	44 Å²	44	62.3 Å²	62.3	23%	0.226	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.7	179.8	-58	175.1	0	0	0	107.5	K66 C67 T69	K66-I83 HydrophobicContact CB-CG2 4.4Å; K66-I83 WeakPolarHBondContact CB-O 3.39Å; K66-I83 HydrophobicContact CD-CG2 4.26Å; K66-I83 PolarHBondContact N-O 2.97Å; C67-I83 PolarHBondContact N-O 3.22Å; C67-I83 PolarHBondContact O-N 3.31Å; T69-I83 HydrophobicContact CG2-CD1 3.85Å
84	F	92.6	Very high	88.7	Confident	16 Å²	16	54.4 Å²	54.4	7%	0.07	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	165.8	-179.3	-63.2	-90.8	0	0	0	110.3	I62 S63 N64 V65 I82 D86 D87 S88 R90	I62-F84 HydrophobicContact CD1-CE1 4.16Å; I62-F84 HydrophobicContact CD1-CZ 3.76Å; S63-F84 WeakPolarHBondContact O-CD1 3.35Å; N64-F84 CarbonylContact O-C 3.55Å; N64-F84 WeakPolarHBondContact O-CA 3.47Å; V65-F84 HydrophobicContact CG2-CE1 4.35Å; I82-F84 HydrophobicContact CB-CE2 4.35Å; I82-F84 HydrophobicContact CG2-CE1 4.4Å; I82-F84 HydrophobicContact CG2-CE2 4.01Å; I82-F84 HydrophobicContact CG2-CZ 3.9Å; F84-D86 WeakPolarHBondContact CB-OD1 3.25Å; F84-D86 PolarHBondContact O-N 3.46Å; F84-D87 PolarHBondContact O-N 2.75Å; F84-D87 VanDerWaalsContact O-N 3.11Å; F84-S88 WeakPolarHBondContact CD2-O 3.5Å; F84-S88 PolarHBondContact N-O 3.39Å; F84-R90 HydrophobicContact CE2-CB 4.17Å; F84-R90 HydrophobicContact CE2-CG 3.67Å; F84-R90 HydrophobicContact CZ-CG 4.12Å
85	T	91.7	Very high	90.1	Very high	91 Å²	91	49.4 Å²	49.4	56%	0.558	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.5	177.4	53.2	0	0	0	0	113.6	N64 K66 D87	N64-T85 HydrophobicContact CB-CG2 4.1Å; N64-T85 WeakPolarHBondContact CB-OG1 3.42Å; N64-T85 WeakPolarHBondContact O-CG2 3.27Å; N64-T85 PolarHBondContact O-N 2.9Å; K66-T85 HydrophobicContact CB-CG2 4.41Å; T85-D87 PolarHBondContact O-N 3.21Å
86	D	92.8	Very high	91.4	Very high	112 Å²	112	46.7 Å²	46.7	60%	0.599	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	11.7	174	71.9	-10.2	0	0	0	113.2	F84 S88	F84-D86 WeakPolarHBondContact CB-OD1 3.25Å; F84-D86 PolarHBondContact O-N 3.46Å; D86-S88 PolarHBondContact O-N 2.81Å; D86-S88 WeakPolarHBondContact OD1-CA 3.32Å; D86-S88 WeakPolarHBondContact OD1-CB 3.5Å; D86-S88 PolarHBondContact OD1-N 3.27Å; D86-S88 PolarHBondContact OD1-OG 2.64Å; D86-S88 PolarHBondContact OD2-OG 3Å
87	D	89.5	Confident	92.2	Very high	114 Å²	114	45.9 Å²	45.9	61%	0.61	25%	0.245	S	C	*	.	S	Bend	trans	58.1	7.9	-173.4	-63.4	-44.1	0	0	0	114.8	K66 F84 T85	K66-D87 IonicContact NZ-OD1 2.65Å; K66-D87 PolarHBondContact NZ-OD1 3.46Å; F84-D87 PolarHBondContact O-N 2.75Å; F84-D87 VanDerWaalsContact O-N 3.11Å; T85-D87 PolarHBondContact O-N 3.21Å
88	S	92.5	Very high	92.8	Very high	36 Å²	36	44.7 Å²	44.7	25%	0.252	25%	0.248	S	C	.	.			trans	-69.5	154.5	166.6	83.6	0	0	0	0	109.9	F84 D86	F84-S88 WeakPolarHBondContact CD2-O 3.5Å; F84-S88 PolarHBondContact N-O 3.39Å; D86-S88 PolarHBondContact O-N 2.81Å; D86-S88 WeakPolarHBondContact OD1-CA 3.32Å; D86-S88 WeakPolarHBondContact OD1-CB 3.5Å; D86-S88 PolarHBondContact OD1-N 3.27Å; D86-S88 PolarHBondContact OD1-OG 2.64Å; D86-S88 PolarHBondContact OD2-OG 3Å
89	A	91.2	Very high	93	Very high	49 Å²	49	44.8 Å²	44.8	41%	0.405	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.6	177.9	0	0	0	0	0	112.1	I82	I82-A89 CarbonylContact O-C 3.54Å; I82-A89 VanDerWaalsContact O-CA 3.24Å; I82-A89 WeakPolarHBondContact O-CA 3.47Å
90	R	91.8	Very high	93.1	Very high	59 Å²	59	44.8 Å²	44.8	22%	0.223	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.3	163.3	-67.3	-64.9	-179.3	-71.6	-12.4	108.1	T60 A81 I82 F84	T60-R90 HydrophobicContact CG2-CG 4.32Å; A81-R90 WeakPolarHBondContact CA-O 3.38Å; I82-R90 PolarHBondContact N-O 3.46Å; I82-R90 PolarHBondContact O-N 3.39Å; F84-R90 HydrophobicContact CE2-CB 4.17Å; F84-R90 HydrophobicContact CE2-CG 3.67Å; F84-R90 HydrophobicContact CZ-CG 4.12Å
91	T	93.2	Very high	93	Very high	47 Å²	47	47.5 Å²	47.5	29%	0.288	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.3	-179	-48.3	0	0	0	0	110.4	L71 A79 V80 A81	L71-T91 HydrophobicContact CD1-CG2 3.91Å; A79-T91 HydrophobicContact CB-CG2 4.17Å; V80-T91 VanDerWaalsContact O-CA 3.3Å; V80-T91 WeakPolarHBondContact O-CA 3.1Å; A81-T91 HydrophobicContact CB-CG2 4.27Å
92	F	94.6	Very high	93.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	160.5	170.6	59.4	-92.6	0	0	0	110	V14 K15 M16 L29 A79 V80 W103 L107	V14-F92 HydrophobicContact CB-CB 4.11Å; V14-F92 HydrophobicContact CB-CD2 3.99Å; V14-F92 HydrophobicContact CB-CG 4.39Å; V14-F92 HydrophobicContact CG1-CD2 3.64Å; V14-F92 HydrophobicContact CG1-CE2 4.13Å; V14-F92 HydrophobicContact CG1-CG 4.39Å; V14-F92 HydrophobicContact CG2-CB 3.96Å; V14-F92 HydrophobicContact CG2-CD2 4.43Å; V14-F92 HydrophobicContact CG2-CG 4.39Å; K15-F92 WeakPolarHBondContact O-CA 3.26Å; M16-F92 HydrophobicContact CE-CB 4.4Å; M16-F92 HydrophobicContact CG-CB 3.75Å; L29-F92 HydrophobicContact CD2-CD1 3.88Å; L29-F92 HydrophobicContact CD2-CD2 4.4Å; L29-F92 HydrophobicContact CD2-CE1 4.01Å; L29-F92 HydrophobicContact CD2-CG 4.08Å; L29-F92 HydrophobicContact CD2-CZ 4.32Å; A79-F92 CarbonylContact C-O 3.53Å; A79-F92 WeakPolarHBondContact CA-O 3.36Å; V80-F92 HydrophobicContact CB-CD2 4.42Å; V80-F92 HydrophobicContact CB-CE1 4.18Å; V80-F92 HydrophobicContact CB-CE2 3.85Å; V80-F92 HydrophobicContact CB-CZ 3.72Å; V80-F92 HydrophobicContact CG1-CE1 4.33Å; V80-F92 HydrophobicContact CG1-CZ 3.97Å; V80-F92 HydrophobicContact CG2-CE2 4.11Å; V80-F92 HydrophobicContact CG2-CZ 4.31Å; V80-F92 PolarHBondContact N-O 3.26Å; V80-F92 PolarHBondContact O-N 3.08Å; F92-W103 HydrophobicContact CE2-CB 3.95Å; F92-W103 AromaticContact CE2-CD2 3.93Å; F92-W103 HydrophobicContact CE2-CD2 3.93Å; F92-W103 HydrophobicContact CE2-CE3 4.34Å; F92-W103 AromaticContact CE2-CG 3.76Å; F92-W103 HydrophobicContact CE2-CG 3.76Å; F92-W103 HydrophobicContact CZ-CB 4.01Å; F92-W103 AromaticContact CZ-CD2 3.94Å; F92-W103 HydrophobicContact CZ-CD2 3.94Å; F92-W103 AromaticContact CZ-CE3 3.89Å; F92-W103 HydrophobicContact CZ-CE3 3.89Å; F92-W103 HydrophobicContact CZ-CG 4.03Å; F92-L107 HydrophobicContact CE1-CD1 3.92Å; F92-L107 HydrophobicContact CZ-CD1 3.76Å
93	T	94.3	Very high	93.2	Very high	19 Å²	19	51.5 Å²	51.5	12%	0.117	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128	179.7	-52.2	0	0	0	0	109.1	V14 K15 Q78	V14-T93 CarbonylContact C-O 3.53Å; V14-T93 WeakPolarHBondContact CA-O 3.49Å; K15-T93 PolarHBondContact N-O 3.46Å; K15-T93 PolarHBondContact O-N 3.49Å; Q78-T93 HydrophobicContact CB-CG2 3.81Å; Q78-T93 WeakPolarHBondContact O-CA 3.33Å
94	C	94.6	Very high	93.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.			trans	-88.1	171.2	180	-47	0	0	0	0	110.9	Q78 E99 A100 W103	Q78-C94 WeakPolarHBondContact CB-O 3.44Å; Q78-C94 PolarHBondContact O-N 3.34Å; Q78-C94 PolarHBondContact OE1-O 2.93Å; Q78-C94 VanDerWaalsContact OE1-O 3.08Å; C94-E99 HydrophobicContact CB-CB 3.85Å; C94-A100 HydrophobicContact CB-CB 3.86Å; C94-A100 VanDerWaalsContact SG-CA 3.53Å; C94-W103 VanDerWaalsContact SG-CD1 3.58Å
95	D	91.6	Very high	93.2	Very high	64 Å²	64	57.7 Å²	57.7	34%	0.342	30%	0.303	S	S	.	.	S	Bend	trans	-83.8	-23	-177.6	-72.2	-31.2	0	0	0	111.7	K15 Q78 E99	K15-D95 IonicContact NZ-OD1 3.71Å; Q78-D95 PolarHBondContact NE2-O 3.41Å; D95-E99 PolarHBondContact N-OE2 2.84Å
96	S	92.7	Very high	93.3	Very high	42 Å²	42	55.1 Å²	55.1	29%	0.294	29%	0.287	S	S	.	.	S	Bend	trans	-132.1	163.1	174.8	76.9	0	0	0	0	113.8	L98 E99 A100	S96-L98 VanDerWaalsContact C-N 3.3Å; S96-E99 PolarHBondContact N-OE2 2.87Å; S96-E99 WeakPolarHBondContact OG-CG 3.5Å; S96-E99 PolarHBondContact OG-N 2.77Å; S96-E99 VanDerWaalsContact OG-N 3.08Å; S96-A100 WeakPolarHBondContact O-CB 3.33Å; S96-A100 PolarHBondContact O-N 3.33Å
97	E	92.4	Very high	93.3	Very high	62 Å²	62	49.8 Å²	49.8	29%	0.29	26%	0.259	S	S	.	.	H	α-helix	trans	-61.3	-41.9	171.7	-177	63.3	-153.3	0	0	111.4	R70 R77 A100 E101	R70-E97 IonicContact CZ-OE1 2.72Å; R70-E97 IonicContact NH2-OE1 2.79Å; R70-E97 PolarHBondContact NH2-OE1 3.03Å; R70-E97 IonicContact NH2-OE2 3.53Å; R70-E97 PolarHBondContact NH2-OE2 3.38Å; R77-E97 WeakPolarHBondContact CD-OE2 3.39Å; R77-E97 VanDerWaalsContact CG-OE2 3.24Å; R77-E97 WeakPolarHBondContact CG-OE2 3.43Å; R77-E97 IonicContact CZ-OE2 2.85Å; R77-E97 IonicContact NE-OE2 3.89Å; R77-E97 PolarHBondContact NE-OE2 2.98Å; R77-E97 IonicContact NH2-OE2 3.38Å; E97-A100 PolarHBondContact O-N 2.78Å; E97-E101 WeakPolarHBondContact O-CB 3.48Å; E97-E101 PolarHBondContact O-N 3.37Å
98	L	93.4	Very high	93.4	Very high	113 Å²	113	44.5 Å²	44.5	59%	0.592	23%	0.23	S	C	*	.	H	α-helix	trans	-62.6	-48	-178.1	-178.8	150.6	0	0	0	110.9	S96 A100 E101 E102	S96-L98 VanDerWaalsContact C-N 3.3Å; L98-A100 VanDerWaalsContact C-N 3.27Å; L98-A100 PolarHBondContact O-N 3Å; L98-E101 PolarHBondContact O-N 2.82Å; L98-E102 HydrophobicContact CD2-CG 4.33Å; L98-E102 VanDerWaalsContact CD2-OE1 3.26Å; L98-E102 WeakPolarHBondContact CD2-OE1 3.31Å; L98-E102 WeakPolarHBondContact O-CG 3.31Å; L98-E102 PolarHBondContact O-N 2.93Å
99	E	95.1	Very high	93.2	Very high	68 Å²	68	46.9 Å²	46.9	32%	0.318	24%	0.244	S	C	.	.	H	α-helix	trans	-59.6	-41.1	176.1	-76.3	-179.9	164.2	0	0	111.9	C94 D95 S96 E101 E102 W103	C94-E99 HydrophobicContact CB-CB 3.85Å; D95-E99 PolarHBondContact N-OE2 2.84Å; S96-E99 PolarHBondContact N-OE2 2.87Å; S96-E99 WeakPolarHBondContact OG-CG 3.5Å; S96-E99 PolarHBondContact OG-N 2.77Å; S96-E99 VanDerWaalsContact OG-N 3.08Å; E99-E101 VanDerWaalsContact C-N 3.33Å; E99-E102 PolarHBondContact O-N 2.88Å; E99-W103 WeakPolarHBondContact O-CB 3.48Å; E99-W103 PolarHBondContact O-N 3.03Å
100	A	94.7	Very high	93.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.1	-36.5	-178.6	0	0	0	0	0	111.9	R70 Q78 V80 C94 S96 E97 L98 Y104	R70-A100 VanDerWaalsContact CZ-CB 3.4Å; Q78-A100 HydrophobicContact CB-CB 4.48Å; Q78-A100 WeakPolarHBondContact O-CB 3.45Å; V80-A100 HydrophobicContact CG2-CB 4.18Å; V80-A100 VanDerWaalsContact CG2-O 3.25Å; V80-A100 WeakPolarHBondContact CG2-O 3.39Å; C94-A100 HydrophobicContact CB-CB 3.86Å; C94-A100 VanDerWaalsContact SG-CA 3.53Å; S96-A100 WeakPolarHBondContact O-CB 3.33Å; S96-A100 PolarHBondContact O-N 3.33Å; E97-A100 PolarHBondContact O-N 2.78Å; L98-A100 VanDerWaalsContact C-N 3.27Å; L98-A100 PolarHBondContact O-N 3Å; A100-Y104 VanDerWaalsContact O-CB 3.31Å; A100-Y104 WeakPolarHBondContact O-CB 3.37Å; A100-Y104 PolarHBondContact O-N 2.8Å
101	E	93.5	Very high	92.9	Very high	58 Å²	58	46.4 Å²	46.4	27%	0.271	24%	0.237	S	C	.	.	H	α-helix	trans	-66.1	-42	172.6	-169.7	58.1	-152.7	0	0	112	R70 E97 L98 E99 Y104 K105	R70-E101 IonicContact NE-OE2 3.81Å; E97-E101 WeakPolarHBondContact O-CB 3.48Å; E97-E101 PolarHBondContact O-N 3.37Å; L98-E101 PolarHBondContact O-N 2.82Å; E99-E101 VanDerWaalsContact C-N 3.33Å; E101-Y104 PolarHBondContact O-N 2.74Å; E101-K105 HydrophobicContact CG-CD 4.4Å; E101-K105 WeakPolarHBondContact O-CB 3.39Å; E101-K105 WeakPolarHBondContact O-CG 3.38Å; E101-K105 PolarHBondContact O-N 3.21Å; E101-K105 WeakPolarHBondContact OE1-CE 3.23Å
102	E	95	Very high	92.3	Very high	84 Å²	84	45.5 Å²	45.5	39%	0.393	23%	0.231	S	C	.	.	H	α-helix	trans	-62.5	-47.6	174.1	-70.4	178.5	174.8	0	0	112.1	K10 L98 E99 Y104 K105 T106	K10-E102 IonicContact NZ-OE2 2.82Å; K10-E102 PolarHBondContact NZ-OE2 3.02Å; L98-E102 HydrophobicContact CD2-CG 4.33Å; L98-E102 VanDerWaalsContact CD2-OE1 3.26Å; L98-E102 WeakPolarHBondContact CD2-OE1 3.31Å; L98-E102 WeakPolarHBondContact O-CG 3.31Å; L98-E102 PolarHBondContact O-N 2.93Å; E99-E102 PolarHBondContact O-N 2.88Å; E102-Y104 VanDerWaalsContact C-N 3.29Å; E102-Y104 PolarHBondContact O-N 2.95Å; E102-K105 PolarHBondContact O-N 3.37Å; E102-T106 WeakPolarHBondContact O-CB 3.41Å; E102-T106 PolarHBondContact O-N 3.25Å; E102-T106 PolarHBondContact O-OG1 3.45Å
103	W	95.9	Very high	91.1	Very high	4 Å²	4	47 Å²	47	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-44.2	176.1	-88.6	108.6	0	0	0	111.4	K10 L29 F31 V80 F92 C94 E99 L107	K10-W103 HydrophobicContact CB-CE3 4.3Å; K10-W103 HydrophobicContact CB-CH2 4.05Å; K10-W103 HydrophobicContact CB-CZ3 3.93Å; K10-W103 HydrophobicContact CD-CD2 3.57Å; K10-W103 HydrophobicContact CD-CE3 3.77Å; K10-W103 HydrophobicContact CD-CG 3.91Å; K10-W103 HydrophobicContact CD-CH2 4.48Å; K10-W103 HydrophobicContact CD-CZ2 4.32Å; K10-W103 HydrophobicContact CD-CZ3 4.23Å; K10-W103 VanDerWaalsContact CE-CD1 3.49Å; K10-W103 HydrophobicContact CG-CD2 4.09Å; K10-W103 HydrophobicContact CG-CE3 4.13Å; K10-W103 HydrophobicContact CG-CH2 3.96Å; K10-W103 HydrophobicContact CG-CZ2 3.92Å; K10-W103 HydrophobicContact CG-CZ3 4.06Å; L29-W103 HydrophobicContact CB-CH2 4.4Å; L29-W103 HydrophobicContact CD2-CH2 4.25Å; L29-W103 HydrophobicContact CD2-CZ3 4.46Å; L29-W103 HydrophobicContact CG-CH2 4.43Å; F31-W103 HydrophobicContact CB-CH2 4.34Å; F31-W103 HydrophobicContact CB-CZ3 3.78Å; V80-W103 HydrophobicContact CG2-CB 4.15Å; F92-W103 HydrophobicContact CE2-CB 3.95Å; F92-W103 AromaticContact CE2-CD2 3.93Å; F92-W103 HydrophobicContact CE2-CD2 3.93Å; F92-W103 HydrophobicContact CE2-CE3 4.34Å; F92-W103 AromaticContact CE2-CG 3.76Å; F92-W103 HydrophobicContact CE2-CG 3.76Å; F92-W103 HydrophobicContact CZ-CB 4.01Å; F92-W103 AromaticContact CZ-CD2 3.94Å; F92-W103 HydrophobicContact CZ-CD2 3.94Å; F92-W103 AromaticContact CZ-CE3 3.89Å; F92-W103 HydrophobicContact CZ-CE3 3.89Å; F92-W103 HydrophobicContact CZ-CG 4.03Å; C94-W103 VanDerWaalsContact SG-CD1 3.58Å; E99-W103 WeakPolarHBondContact O-CB 3.48Å; E99-W103 PolarHBondContact O-N 3.03Å; W103-L107 HydrophobicContact CE3-CD1 4.22Å; W103-L107 HydrophobicContact CE3-CG 4.4Å; W103-L107 VanDerWaalsContact O-CB 3.27Å; W103-L107 WeakPolarHBondContact O-CB 3.45Å; W103-L107 WeakPolarHBondContact O-CD1 3.44Å; W103-L107 VanDerWaalsContact O-CG 3.25Å; W103-L107 WeakPolarHBondContact O-CG 3.47Å; W103-L107 PolarHBondContact O-N 3Å
104	Y	94.1	Very high	89	Confident	66 Å²	66	50.8 Å²	50.8	26%	0.259	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-50.5	176.4	166.1	-108.7	0	0	0	112.3	V68 R70 A100 E101 E102 L107 S108	V68-Y104 HydrophobicContact CB-CD2 4.42Å; V68-Y104 HydrophobicContact CB-CE2 4.48Å; V68-Y104 HydrophobicContact CG1-CD2 3.91Å; V68-Y104 HydrophobicContact CG1-CE2 4.45Å; V68-Y104 WeakPolarHBondContact O-CE2 3.15Å; R70-Y104 HydrophobicContact CG-CD1 4.22Å; R70-Y104 HydrophobicContact CG-CD2 4.11Å; R70-Y104 HydrophobicContact CG-CG 3.93Å; A100-Y104 VanDerWaalsContact O-CB 3.31Å; A100-Y104 WeakPolarHBondContact O-CB 3.37Å; A100-Y104 PolarHBondContact O-N 2.8Å; E101-Y104 PolarHBondContact O-N 2.74Å; E102-Y104 VanDerWaalsContact C-N 3.29Å; E102-Y104 PolarHBondContact O-N 2.95Å; Y104-L107 PolarHBondContact O-N 2.92Å; Y104-S108 WeakPolarHBondContact CE2-OG 3.37Å; Y104-S108 VanDerWaalsContact O-CB 3.28Å; Y104-S108 WeakPolarHBondContact O-CB 3.25Å; Y104-S108 PolarHBondContact O-N 2.97Å; Y104-S108 PolarHBondContact O-OG 2.92Å
105	K	93.3	Very high	87	Confident	123 Å²	123	58.5 Å²	58.5	54%	0.535	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-49.5	178.8	-75	176	179	174.5	0	111.5	E101 E102 S108 V109	E101-K105 HydrophobicContact CG-CD 4.4Å; E101-K105 WeakPolarHBondContact O-CB 3.39Å; E101-K105 WeakPolarHBondContact O-CG 3.38Å; E101-K105 PolarHBondContact O-N 3.21Å; E101-K105 WeakPolarHBondContact OE1-CE 3.23Å; E102-K105 PolarHBondContact O-N 3.37Å; K105-S108 PolarHBondContact O-N 2.87Å; K105-V109 WeakPolarHBondContact O-CG2 3.17Å; K105-V109 PolarHBondContact O-N 2.83Å
106	T	93.2	Very high	84.9	Confident	38 Å²	38	60.2 Å²	60.2	23%	0.233	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-49.8	179.5	-61.8	0	0	0	0	112	V9 K10 F31 E102 S108 V109 E110	V9-T106 HydrophobicContact CB-CG2 4.48Å; V9-T106 HydrophobicContact CG1-CG2 3.3Å; K10-T106 HydrophobicContact CB-CG2 4.13Å; K10-T106 HydrophobicContact CD-CG2 4.46Å; F31-T106 HydrophobicContact CD1-CG2 4.48Å; E102-T106 WeakPolarHBondContact O-CB 3.41Å; E102-T106 PolarHBondContact O-N 3.25Å; E102-T106 PolarHBondContact O-OG1 3.45Å; T106-S108 VanDerWaalsContact C-N 3.31Å; T106-S108 PolarHBondContact O-N 3.14Å; T106-V109 PolarHBondContact O-N 3.04Å; T106-E110 HydrophobicContact CG2-CG 4.49Å; T106-E110 WeakPolarHBondContact O-CB 3.45Å; T106-E110 VanDerWaalsContact O-CG 3.31Å; T106-E110 WeakPolarHBondContact O-CG 3.5Å; T106-E110 PolarHBondContact O-N 2.85Å
107	L	93.7	Very high	82.4	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64	-38.2	179.4	-74.6	167.8	0	0	0	111.7	F31 V68 V80 I82 F92 W103 Y104 C111	F31-L107 HydrophobicContact CD1-CD2 3.83Å; F31-L107 HydrophobicContact CD2-CD2 3.86Å; F31-L107 HydrophobicContact CE1-CD2 3.88Å; F31-L107 HydrophobicContact CE2-CD2 3.9Å; F31-L107 HydrophobicContact CG-CD2 3.83Å; F31-L107 HydrophobicContact CZ-CD2 3.92Å; V68-L107 HydrophobicContact CG1-CB 3.91Å; V68-L107 HydrophobicContact CG1-CD1 4.41Å; V68-L107 HydrophobicContact CG2-CB 4.1Å; V80-L107 HydrophobicContact CG1-CD1 4.02Å; I82-L107 HydrophobicContact CD1-CD1 3.95Å; I82-L107 HydrophobicContact CD1-CD2 3.94Å; I82-L107 HydrophobicContact CG1-CD1 4.03Å; F92-L107 HydrophobicContact CE1-CD1 3.92Å; F92-L107 HydrophobicContact CZ-CD1 3.76Å; W103-L107 HydrophobicContact CE3-CD1 4.22Å; W103-L107 HydrophobicContact CE3-CG 4.4Å; W103-L107 VanDerWaalsContact O-CB 3.27Å; W103-L107 WeakPolarHBondContact O-CB 3.45Å; W103-L107 WeakPolarHBondContact O-CD1 3.44Å; W103-L107 VanDerWaalsContact O-CG 3.25Å; W103-L107 WeakPolarHBondContact O-CG 3.47Å; W103-L107 PolarHBondContact O-N 3Å; Y104-L107 PolarHBondContact O-N 2.92Å; L107-C111 WeakPolarHBondContact O-CB 3.44Å; L107-C111 PolarHBondContact O-N 3.17Å; L107-C111 PolarHBondContact O-SG 3.33Å
108	S	91.5	Very high	79.9	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.014	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-45.7	179.9	-57.1	0	0	0	0	111.6	Y104 K105 T106 L112	Y104-S108 WeakPolarHBondContact CE2-OG 3.37Å; Y104-S108 VanDerWaalsContact O-CB 3.28Å; Y104-S108 WeakPolarHBondContact O-CB 3.25Å; Y104-S108 PolarHBondContact O-N 2.97Å; Y104-S108 PolarHBondContact O-OG 2.92Å; K105-S108 PolarHBondContact O-N 2.87Å; T106-S108 VanDerWaalsContact C-N 3.31Å; T106-S108 PolarHBondContact O-N 3.14Å; S108-L112 VanDerWaalsContact O-CB 3.27Å; S108-L112 WeakPolarHBondContact O-CB 3.35Å; S108-L112 PolarHBondContact O-N 2.86Å; S108-L112 VanDerWaalsContact O-N 3.13Å
109	V	88.5	Confident	77.7	Confident	87 Å²	87	65.5 Å²	65.5	53%	0.527	34%	0.338	S	S	.	.	H	α-helix	trans	-63	-46.2	177.9	171.3	0	0	0	0	111.3	K105 T106 G113	K105-V109 WeakPolarHBondContact O-CG2 3.17Å; K105-V109 PolarHBondContact O-N 2.83Å; T106-V109 PolarHBondContact O-N 3.04Å; V109-G113 CarbonylContact O-C 3.56Å; V109-G113 WeakPolarHBondContact O-CA 3.44Å; V109-G113 PolarHBondContact O-N 2.81Å
110	E	88.2	Confident	75.3	Confident	75 Å²	75	68.2 Å²	68.2	35%	0.35	37%	0.365	S	S	.	.	H	α-helix	trans	-78.8	-39.7	-173.8	-65.4	-77	153.4	0	0	112.8	V9 F31 Q40 T106	V9-E110 HydrophobicContact CG1-CG 3.91Å; F31-E110 HydrophobicContact CE1-CB 3.61Å; F31-E110 HydrophobicContact CE1-CG 3.94Å; F31-E110 HydrophobicContact CZ-CB 3.84Å; Q40-E110 PolarHBondContact OE1-O 3.39Å; T106-E110 HydrophobicContact CG2-CG 4.49Å; T106-E110 WeakPolarHBondContact O-CB 3.45Å; T106-E110 VanDerWaalsContact O-CG 3.31Å; T106-E110 WeakPolarHBondContact O-CG 3.5Å; T106-E110 PolarHBondContact O-N 2.85Å
111	C	86.6	Confident	73.1	Confident	22 Å²	22	75.6 Å²	75.6	15%	0.149	40%	0.403	C	S	.	.	H	α-helix	trans	-81.9	-32.2	-175.9	-59.9	0	0	0	0	113.5	Q40 I62 V65 V68 L107	Q40-C111 PolarHBondContact NE2-SG 2.89Å; I62-C111 VanDerWaalsContact CG2-SG 3.58Å; V65-C111 HydrophobicContact CB-CB 4Å; V65-C111 HydrophobicContact CG1-CB 4.04Å; V65-C111 HydrophobicContact CG2-CB 3.9Å; V68-C111 HydrophobicContact CG2-CB 4.48Å; L107-C111 WeakPolarHBondContact O-CB 3.44Å; L107-C111 PolarHBondContact O-N 3.17Å; L107-C111 PolarHBondContact O-SG 3.33Å
112	L	82	Confident	70.9	Confident	28 Å²	28	76.5 Å²	76.5	15%	0.147	43%	0.428	C	S	.	.	H	α-helix	trans	-101.9	-8	-178.1	-52.1	173.7	0	0	0	111.5	V65 S108 R115	V65-L112 HydrophobicContact CB-CD2 4.36Å; V65-L112 HydrophobicContact CG1-CD2 3.98Å; S108-L112 VanDerWaalsContact O-CB 3.27Å; S108-L112 WeakPolarHBondContact O-CB 3.35Å; S108-L112 PolarHBondContact O-N 2.86Å; S108-L112 VanDerWaalsContact O-N 3.13Å; L112-R115 HydrophobicContact CB-CB 4.37Å; L112-R115 VanDerWaalsContact O-CB 3.29Å; L112-R115 WeakPolarHBondContact O-CB 3.34Å; L112-R115 VanDerWaalsContact O-CD 3.32Å; L112-R115 WeakPolarHBondContact O-CD 3.43Å; L112-R115 WeakPolarHBondContact O-CG 3.4Å
113	G	68.7	Low	68.5	Low	33 Å²	33	79 Å²	79	34%	0.34	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	61.4	-156.5	-172	0	0	0	0	0	111.7	V109 R115	V109-G113 CarbonylContact O-C 3.56Å; V109-G113 WeakPolarHBondContact O-CA 3.44Å; V109-G113 PolarHBondContact O-N 2.81Å; G113-R115 PolarHBondContact O-N 2.85Å
114	S	51.3	Low	66.5	Low	98 Å²	98	83 Å²	83	69%	0.685	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-63.3	9.2	175.9	-32.7	0	0	0	0	114.9	L116 N117	S114-L116 PolarHBondContact O-N 2.87Å; S114-N117 PolarHBondContact O-N 2.92Å
115	R	50.7	Low	64.9	Low	161 Å²	161	83.8 Å²	83.8	61%	0.608	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-60.9	-12.8	175.4	-70.3	-178.5	-169.9	-161.4	2.4	113.4	L112 G113	L112-R115 HydrophobicContact CB-CB 4.37Å; L112-R115 VanDerWaalsContact O-CB 3.29Å; L112-R115 WeakPolarHBondContact O-CB 3.34Å; L112-R115 VanDerWaalsContact O-CD 3.32Å; L112-R115 WeakPolarHBondContact O-CD 3.43Å; L112-R115 WeakPolarHBondContact O-CG 3.4Å; G113-R115 PolarHBondContact O-N 2.85Å
116	L	48	Very low	63.4	Low	101 Å²	101	84.6 Å²	84.6	53%	0.529	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-87.8	-5.2	170.7	-71.6	-178.7	0	0	0	114.4	S114 D118	S114-L116 PolarHBondContact O-N 2.87Å; L116-D118 VanDerWaalsContact C-N 3.31Å
117	N	40.8	Very low	61.8	Low	142 Å²	142	89 Å²	89	76%	0.759	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-94.9	16.7	169	-72.5	-10.6	0	0	0	112.4	S114 I119	S114-N117 PolarHBondContact O-N 2.92Å; N117-I119 PolarHBondContact O-N 2.98Å
118	D	39.8	Very low	60	Low	99 Å²	99	90.3 Å²	90.3	53%	0.529	52%	0.516	S	S	.	.			trans	-69.7	97.1	168.9	-107	-19.2	0	0	0	109.4	L116 S120	L116-D118 VanDerWaalsContact C-N 3.31Å; D118-S120 PolarHBondContact O-N 2.88Å
119	I	47	Very low	58.3	Low	87 Å²	87	94.3 Å²	94.3	45%	0.446	54%	0.542	S	S	.	.				30	103.2	129	-38.1	156.1	0	0	0	111.7	N117 L121 E123	N117-I119 PolarHBondContact O-N 2.98Å; I119-L121 PolarHBondContact O-N 3.48Å; I119-E123 WeakPolarHBondContact CD1-O 3.4Å
120	S	45	Very low	56.7	Low	124 Å²	124	92.6 Å²	92.6	87%	0.867	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	6.9	-180	-53.4	0	0	0	0	116.3	D118	D118-S120 PolarHBondContact O-N 2.88Å
121	L	48.3	Very low	55.1	Low	156 Å²	156	92.7 Å²	92.7	82%	0.817	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.8	30.8	-153.8	-77.1	164.7	0	0	0	116.4	I119	I119-L121 PolarHBondContact O-N 3.48Å
122	G	47.1	Very low	53.4	Low	76 Å²	76	96.2 Å²	96.2	78%	0.784	56%	0.562	S	S	*	*			trans	80.4	27.7	150.8	0	0	0	0	0	120.1
123	E	44.9	Very low	52	Low	138 Å²	138	98.7 Å²	98.7	65%	0.645	58%	0.581	S	S	*	*			trans	-114.4	123.4	168.9	-99	-87.5	145.8	0	0	109.9	I119 D125	I119-E123 WeakPolarHBondContact CD1-O 3.4Å; E123-D125 PolarHBondContact O-N 3.43Å
124	P	54.1	Low	51.4	Low	86 Å²	86	101.5 Å²	101.5	56%	0.558	59%	0.585	S	S	*	*			trans	-69.6	125.9	174.1	26.1	-28.9	0	0	0	110.2	L126	P124-L126 PolarHBondContact O-N 2.88Å
125	D	61	Low	51.8	Low	83 Å²	83	100.1 Å²	100.1	44%	0.444	57%	0.567	S	S	.	*			trans	-62.4	100.6	172	-179.6	-2.1	0	0	0	109.8	E123 L127 A128 P129	E123-D125 PolarHBondContact O-N 3.43Å; D125-L127 PolarHBondContact O-N 3.41Å; D125-L127 WeakPolarHBondContact OD1-CB 3.36Å; D125-L127 PolarHBondContact OD1-N 3.49Å; D125-A128 HydrophobicContact CB-CB 3.81Å; D125-A128 WeakPolarHBondContact O-CB 3.49Å; D125-A128 PolarHBondContact O-N 3Å; D125-A128 PolarHBondContact OD1-N 3.46Å; D125-P129 WeakPolarHBondContact O-CD 3.35Å
126	L	60.7	Low	52.5	Low	141 Å²	141	97.6 Å²	97.6	74%	0.738	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-17.9	-178.3	-61.6	179.1	0	0	0	113.1	P124	P124-L126 PolarHBondContact O-N 2.88Å
127	L	60.6	Low	54.2	Low	131 Å²	131	95.6 Å²	95.6	69%	0.686	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-23.9	178.1	-57.3	179.9	0	0	0	112	D125 G130 V131	D125-L127 PolarHBondContact O-N 3.41Å; D125-L127 WeakPolarHBondContact OD1-CB 3.36Å; D125-L127 PolarHBondContact OD1-N 3.49Å; L127-G130 PolarHBondContact O-N 2.97Å; L127-G130 VanDerWaalsContact O-N 3.15Å; L127-V131 PolarHBondContact O-N 3.48Å; L127-V131 VanDerWaalsContact O-N 3.12Å
128	A	56.3	Low	56.7	Low	26 Å²	26	89.8 Å²	89.8	22%	0.215	53%	0.528	C	S	.	.	H	α-helix	trans	-55.4	-42.5	179.3	0	0	0	0	0	113.4	D125 G130 V131 Q132	D125-A128 HydrophobicContact CB-CB 3.81Å; D125-A128 WeakPolarHBondContact O-CB 3.49Å; D125-A128 PolarHBondContact O-N 3Å; D125-A128 PolarHBondContact OD1-N 3.46Å; A128-G130 PolarHBondContact O-N 3.26Å; A128-V131 PolarHBondContact O-N 3.39Å; A128-Q132 VanDerWaalsContact O-CB 3.28Å; A128-Q132 WeakPolarHBondContact O-CB 3.29Å; A128-Q132 VanDerWaalsContact O-CG 3.3Å; A128-Q132 WeakPolarHBondContact O-CG 3.34Å; A128-Q132 PolarHBondContact O-N 2.9Å
129	P	55.1	Low	59.3	Low	87 Å²	87	85.6 Å²	85.6	57%	0.565	50%	0.504	S	S	*	.	H	α-helix	trans	-60.4	-41.4	176.7	-24.6	33.2	0	0	0	113.2	D125 C133	D125-P129 WeakPolarHBondContact O-CD 3.35Å; P129-C133 WeakPolarHBondContact O-CB 3.42Å; P129-C133 PolarHBondContact O-N 3.03Å
130	G	53.9	Low	61.5	Low	50 Å²	50	82.4 Å²	82.4	52%	0.515	49%	0.488	S	S	.	.	H	α-helix	trans	-66.4	-45.4	-179.7	0	0	0	0	0	112.2	L127 A128 C133 E134	L127-G130 PolarHBondContact O-N 2.97Å; L127-G130 VanDerWaalsContact O-N 3.15Å; A128-G130 PolarHBondContact O-N 3.26Å; G130-C133 PolarHBondContact O-N 3.23Å; G130-E134 PolarHBondContact O-N 2.88Å
131	V	55.8	Low	63.9	Low	78 Å²	78	76.5 Å²	76.5	47%	0.473	45%	0.447	S	S	.	.	H	α-helix	trans	-69.4	-35.7	178.2	179.7	0	0	0	0	111.8	L127 A128 Q135	L127-V131 PolarHBondContact O-N 3.48Å; L127-V131 VanDerWaalsContact O-N 3.12Å; A128-V131 PolarHBondContact O-N 3.39Å; V131-Q135 PolarHBondContact O-N 3.49Å
132	Q	51.5	Low	66.2	Low	95 Å²	95	71.9 Å²	71.9	44%	0.444	42%	0.42	S	S	.	.	H	α-helix	trans	-70.2	-42.3	175.3	-75.4	-168.8	36.6	0	0	111.9	A128 E134 Q135 T136	A128-Q132 VanDerWaalsContact O-CB 3.28Å; A128-Q132 WeakPolarHBondContact O-CB 3.29Å; A128-Q132 VanDerWaalsContact O-CG 3.3Å; A128-Q132 WeakPolarHBondContact O-CG 3.34Å; A128-Q132 PolarHBondContact O-N 2.9Å; Q132-E134 VanDerWaalsContact C-N 3.28Å; Q132-E134 PolarHBondContact O-N 3.48Å; Q132-Q135 PolarHBondContact O-N 3.09Å; Q132-Q135 VanDerWaalsContact O-N 3.09Å; Q132-T136 WeakPolarHBondContact O-CG2 3.4Å; Q132-T136 PolarHBondContact O-N 2.83Å; Q132-T136 PolarHBondContact O-OG1 2.78Å; Q132-T136 VanDerWaalsContact O-OG1 3.11Å
133	C	51.7	Low	68.5	Low	81 Å²	81	68.2 Å²	68.2	55%	0.547	38%	0.383	S	S	.	.	H	α-helix	trans	-55	-45.5	177.5	-173.1	0	0	0	0	111.2	P129 G130 Q135 T136 D137	P129-C133 WeakPolarHBondContact O-CB 3.42Å; P129-C133 PolarHBondContact O-N 3.03Å; G130-C133 PolarHBondContact O-N 3.23Å; C133-Q135 VanDerWaalsContact C-N 3.3Å; C133-Q135 PolarHBondContact O-N 2.85Å; C133-T136 VanDerWaalsContact CA-OG1 3.3Å; C133-T136 WeakPolarHBondContact CA-OG1 3.36Å; C133-T136 PolarHBondContact O-N 2.84Å; C133-T136 PolarHBondContact O-OG1 3.02Å; C133-D137 PolarHBondContact O-N 2.92Å
134	E	55.7	Low	70.8	Confident	92 Å²	92	63.7 Å²	63.7	43%	0.43	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-29.7	179.9	-153.5	-157.9	135.5	0	0	113.4	G130 Q132 R138	G130-E134 PolarHBondContact O-N 2.88Å; Q132-E134 VanDerWaalsContact C-N 3.28Å; Q132-E134 PolarHBondContact O-N 3.48Å; E134-R138 WeakPolarHBondContact O-CG 3.29Å; E134-R138 PolarHBondContact O-NE 2.82Å; E134-R138 VanDerWaalsContact O-NE 3.15Å; E134-R138 IonicContact OE1-NH2 3.84Å; E134-R138 PolarHBondContact OE1-NH2 3.46Å
135	Q	59.7	Low	72.6	Confident	68 Å²	68	64 Å²	64	32%	0.318	37%	0.365	S	S	.	.	H	α-helix	trans	-83.3	-32.3	176	-72.8	-172.1	23.2	0	0	113.3	V131 Q132 C133 D137 R138	V131-Q135 PolarHBondContact O-N 3.49Å; Q132-Q135 PolarHBondContact O-N 3.09Å; Q132-Q135 VanDerWaalsContact O-N 3.09Å; C133-Q135 VanDerWaalsContact C-N 3.3Å; C133-Q135 PolarHBondContact O-N 2.85Å; Q135-D137 PolarHBondContact O-N 3.15Å; Q135-R138 PolarHBondContact O-N 2.89Å
136	T	65.1	Low	74	Confident	108 Å²	108	61.1 Å²	61.1	66%	0.663	35%	0.351	S	S	*	.	H	α-helix	trans	-68.2	-20.6	176.9	48.2	0	0	0	0	112.5	Q132 C133 R138	Q132-T136 WeakPolarHBondContact O-CG2 3.4Å; Q132-T136 PolarHBondContact O-N 2.83Å; Q132-T136 PolarHBondContact O-OG1 2.78Å; Q132-T136 VanDerWaalsContact O-OG1 3.11Å; C133-T136 VanDerWaalsContact CA-OG1 3.3Å; C133-T136 WeakPolarHBondContact CA-OG1 3.36Å; C133-T136 PolarHBondContact O-N 2.84Å; C133-T136 PolarHBondContact O-OG1 3.02Å; T136-R138 PolarHBondContact O-N 2.86Å
137	D	84.8	Confident	75.2	Confident	60 Å²	60	60.6 Å²	60.6	32%	0.321	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	13.6	179.9	-157.1	38.7	0	0	0	114.3	C133 Q135 R222	C133-D137 PolarHBondContact O-N 2.92Å; Q135-D137 PolarHBondContact O-N 3.15Å; D137-R222 VanDerWaalsContact CG-NH1 3.26Å; D137-R222 PolarHBondContact O-NH1 2.82Å; D137-R222 IonicContact OD1-CZ 3.46Å; D137-R222 IonicContact OD1-NH1 3.4Å; D137-R222 PolarHBondContact OD1-NH1 2.98Å; D137-R222 IonicContact OD1-NH2 2.74Å; D137-R222 PolarHBondContact OD1-NH2 2.82Å; D137-R222 IonicContact OD2-NH1 3.09Å
138	R	93.1	Very high	76.2	Confident	20 Å²	20	58.5 Å²	58.5	8%	0.075	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.3	-176.3	-48.9	-175.8	-177.5	178.8	-3.9	111.2	E134 Q135 T136 K156 L157 Q158 P172	E134-R138 WeakPolarHBondContact O-CG 3.29Å; E134-R138 PolarHBondContact O-NE 2.82Å; E134-R138 VanDerWaalsContact O-NE 3.15Å; E134-R138 IonicContact OE1-NH2 3.84Å; E134-R138 PolarHBondContact OE1-NH2 3.46Å; Q135-R138 PolarHBondContact O-N 2.89Å; T136-R138 PolarHBondContact O-N 2.86Å; R138-K156 HydrophobicContact CB-CB 4.08Å; R138-K156 HydrophobicContact CB-CD 4.14Å; R138-L157 CarbonylContact C-O 3.58Å; R138-L157 WeakPolarHBondContact CA-O 3.21Å; R138-Q158 HydrophobicContact CG-CB 4.04Å; R138-Q158 HydrophobicContact CG-CG 4.19Å; R138-P172 PolarHBondContact NH1-O 3.43Å
139	F	94.6	Very high	77.6	Confident	10 Å²	10	58.5 Å²	58.5	4%	0.044	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	142.8	177.3	-59.3	-85.6	0	0	0	111.2	V141 K156 L157 I159 E215 Q218 I219 R222	F139-V141 HydrophobicContact CB-CG1 4.22Å; F139-K156 CarbonylContact O-C 3.59Å; F139-K156 VanDerWaalsContact O-CA 3.29Å; F139-K156 WeakPolarHBondContact O-CA 3.49Å; F139-L157 HydrophobicContact CB-CB 4.41Å; F139-L157 PolarHBondContact N-O 3.5Å; F139-L157 PolarHBondContact O-N 3.07Å; F139-I159 HydrophobicContact CD2-CD1 3.71Å; F139-I159 HydrophobicContact CE2-CD1 3.63Å; F139-E215 HydrophobicContact CD1-CB 3.73Å; F139-E215 HydrophobicContact CD1-CG 4.3Å; F139-E215 HydrophobicContact CE1-CB 4.21Å; F139-Q218 HydrophobicContact CE1-CB 3.81Å; F139-Q218 HydrophobicContact CZ-CB 4.11Å; F139-I219 HydrophobicContact CB-CD1 3.88Å; F139-I219 HydrophobicContact CB-CG1 4.04Å; F139-I219 HydrophobicContact CD1-CD1 4.25Å; F139-I219 HydrophobicContact CD1-CG1 3.77Å; F139-I219 HydrophobicContact CD2-CD1 4.34Å; F139-I219 HydrophobicContact CD2-CG1 3.57Å; F139-I219 HydrophobicContact CE1-CG1 4.04Å; F139-I219 HydrophobicContact CE2-CG1 3.86Å; F139-I219 HydrophobicContact CG-CD1 3.9Å; F139-I219 HydrophobicContact CG-CG1 3.5Å; F139-I219 VanDerWaalsContact CG-CG1 3.5Å; F139-I219 HydrophobicContact CZ-CG1 4.06Å; F139-R222 VanDerWaalsContact CE2-NH1 3.31Å
140	N	93.7	Very high	79.1	Confident	20 Å²	20	60.4 Å²	60.4	11%	0.107	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126.2	171.1	-57	-73.9	0	0	0	109	S34 S35 T213	S34-N140 WeakPolarHBondContact CB-ND2 3.31Å; S35-N140 WeakPolarHBondContact O-CB 3.41Å; N140-T213 PolarHBondContact O-OG1 3.06Å
141	V	95.4	Very high	80.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.1	-175.8	-58.8	0	0	0	0	110.8	F139 E154 C155 L157 L166 F211 T213 I219	F139-V141 HydrophobicContact CB-CG1 4.22Å; V141-E154 WeakPolarHBondContact O-CA 3.47Å; V141-C155 PolarHBondContact N-O 2.72Å; V141-C155 PolarHBondContact O-N 3.33Å; V141-C155 VanDerWaalsContact O-O 3.07Å; V141-L157 HydrophobicContact CG1-CB 3.84Å; V141-L157 HydrophobicContact CG1-CD2 4.29Å; V141-L157 HydrophobicContact CG2-CB 3.83Å; V141-L166 HydrophobicContact CG2-CD1 4.19Å; V141-F211 HydrophobicContact CB-CB 4.1Å; V141-F211 HydrophobicContact CB-CD1 4.06Å; V141-F211 HydrophobicContact CB-CG 4.49Å; V141-F211 HydrophobicContact CG1-CB 4.38Å; V141-F211 HydrophobicContact CG2-CD1 3.61Å; V141-F211 HydrophobicContact CG2-CE1 4.3Å; V141-F211 HydrophobicContact CG2-CG 4.46Å; V141-T213 HydrophobicContact CG1-CG2 4.36Å; V141-I219 HydrophobicContact CG1-CD1 3.98Å
142	F	95.1	Very high	82.5	Confident	59 Å²	59	59.9 Å²	59.9	26%	0.259	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	109.5	170	-173.8	-72.9	0	0	0	108.7	S36 L144 G153 E154 F211 Q212	S36-F142 VanDerWaalsContact CB-N 3.35Å; F142-L144 HydrophobicContact CD1-CD2 4.01Å; F142-L144 HydrophobicContact CE1-CD2 4.11Å; F142-L144 PolarHBondContact O-N 2.73Å; F142-G153 CarbonylContact C-O 3.55Å; F142-G153 WeakPolarHBondContact CA-O 3.34Å; F142-E154 HydrophobicContact CD2-CG 3.88Å; F142-F211 CarbonylContact O-C 3.58Å; F142-F211 WeakPolarHBondContact O-CA 3.4Å; F142-Q212 HydrophobicContact CB-CB 4.21Å; F142-Q212 PolarHBondContact N-O 3.03Å; F142-Q212 PolarHBondContact O-N 2.73Å
143	L	95.3	Very high	84.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	122.1	175.9	173.6	59.5	0	0	0	109.5	L149 V151 G153 L166 F211	L143-L149 HydrophobicContact CD2-CD2 3.73Å; L143-V151 HydrophobicContact CD2-CG1 4.45Å; L143-V151 WeakPolarHBondContact CD2-O 3.43Å; L143-G153 PolarHBondContact N-O 3.16Å; L143-G153 PolarHBondContact O-N 2.98Å; L143-L166 HydrophobicContact CD2-CD2 3.63Å; L143-F211 HydrophobicContact CB-CD1 4.14Å; L143-F211 HydrophobicContact CB-CE1 4.05Å; L143-F211 HydrophobicContact CD1-CD1 4.16Å; L143-F211 HydrophobicContact CD1-CE1 3.72Å; L143-F211 HydrophobicContact CD1-CE2 4.46Å; L143-F211 HydrophobicContact CD1-CZ 3.89Å; L143-F211 HydrophobicContact CG-CE1 4.32Å
144	L	93.7	Very high	86.5	Confident	43 Å²	43	52 Å²	52	23%	0.225	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-71.8	148	173.3	-61.9	-176.7	0	0	0	110.9	F142 C146 R193 T210	F142-L144 HydrophobicContact CD1-CD2 4.01Å; F142-L144 HydrophobicContact CE1-CD2 4.11Å; F142-L144 PolarHBondContact O-N 2.73Å; L144-C146 PolarHBondContact O-N 3.31Å; L144-R193 VanDerWaalsContact CD1-NH1 3.28Å; L144-T210 HydrophobicContact CD1-CG2 3.47Å; L144-T210 VanDerWaalsContact CD1-CG2 3.47Å; L144-T210 HydrophobicContact CG-CG2 4.18Å; L144-T210 PolarHBondContact N-O 2.91Å
145	P	92.5	Very high	88.3	Confident	91 Å²	91	47.7 Å²	47.7	59%	0.591	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-53.7	134.8	174.2	-24.9	33.8	0	0	0	111.9	Y152	P145-Y152 HydrophobicContact CB-CG 4.47Å; P145-Y152 HydrophobicContact CG-CD2 4.01Å; P145-Y152 HydrophobicContact CG-CG 4.08Å
146	C	89.2	Confident	89.9	Confident	23 Å²	23	46.6 Å²	46.6	16%	0.155	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-139.7	154.7	175.3	59.8	0	0	0	0	110.8	L144 N148	L144-C146 PolarHBondContact O-N 3.31Å; C146-N148 VanDerWaalsContact C-N 3.31Å; C146-N148 PolarHBondContact O-N 3.01Å
147	P	86.1	Confident	91.4	Very high	130 Å²	130	41.5 Å²	41.5	84%	0.844	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-30	-171.3	-25.2	35.4	0	0	0	115.2
148	N	81.7	Confident	92	Very high	88 Å²	88	39.4 Å²	39.4	47%	0.471	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	4.2	-168	-60	-26.7	0	0	0	113.7	C146 E206	C146-N148 VanDerWaalsContact C-N 3.31Å; C146-N148 PolarHBondContact O-N 3.01Å; N148-E206 PolarHBondContact ND2-O 3.42Å
149	L	86.6	Confident	92.1	Very high	25 Å²	25	38.9 Å²	38.9	13%	0.131	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-146	115	-176.7	-178.5	61.5	0	0	0	110.3	L143 V151 V177 W179 Y209	L143-L149 HydrophobicContact CD2-CD2 3.73Å; L149-V151 HydrophobicContact CD1-CB 4Å; L149-V151 HydrophobicContact CD1-CG2 3.86Å; L149-V151 HydrophobicContact CD2-CB 4.2Å; L149-V151 HydrophobicContact CG-CB 3.8Å; L149-V151 HydrophobicContact CG-CG2 4.22Å; L149-V151 PolarHBondContact O-N 2.57Å; L149-V177 HydrophobicContact CD1-CB 4.44Å; L149-V177 HydrophobicContact CD2-CG1 4.03Å; L149-W179 HydrophobicContact CD2-CH2 4.47Å; L149-W179 HydrophobicContact CD2-CZ2 4.07Å; L149-Y209 HydrophobicContact CB-CE1 4.2Å; L149-Y209 HydrophobicContact CD2-CD1 4.32Å; L149-Y209 HydrophobicContact CD2-CE1 3.97Å
150	D	86.8	Confident	92.1	Very high	128 Å²	128	40.2 Å²	40.2	68%	0.684	22%	0.22	S	C	*	.	S	Bend	trans	-79.1	37.7	173.5	-173.6	23	0	0	0	112.5	M1	M1-D150 PolarHBondContact N-O 3.48Å; M1-D150 PolarHBondContact N-OD1 3.06Å
151	V	87.6	Confident	92	Very high	35 Å²	35	46.9 Å²	46.9	21%	0.212	25%	0.25	C	S	.	.			trans	-129.3	125.9	175.1	-178.7	0	0	0	0	106.9	L143 L149 L166 L176	L143-V151 HydrophobicContact CD2-CG1 4.45Å; L143-V151 WeakPolarHBondContact CD2-O 3.43Å; L149-V151 HydrophobicContact CD1-CB 4Å; L149-V151 HydrophobicContact CD1-CG2 3.86Å; L149-V151 HydrophobicContact CD2-CB 4.2Å; L149-V151 HydrophobicContact CG-CB 3.8Å; L149-V151 HydrophobicContact CG-CG2 4.22Å; L149-V151 PolarHBondContact O-N 2.57Å; V151-L166 HydrophobicContact CG1-CD2 4.36Å; V151-L176 HydrophobicContact CG1-CB 4.43Å; V151-L176 HydrophobicContact CG1-CD1 3.86Å
152	Y	92	Very high	91.8	Very high	82 Å²	82	53.2 Å²	53.2	32%	0.322	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	159	175.8	60.3	-86.6	0	0	0	109.5	M1 A2 P145	M1-Y152 VanDerWaalsContact O-O 3.06Å; A2-Y152 HydrophobicContact CB-CD2 4.17Å; A2-Y152 HydrophobicContact CB-CE2 3.24Å; A2-Y152 WeakPolarHBondContact CB-OH 3.46Å; P145-Y152 HydrophobicContact CB-CG 4.47Å; P145-Y152 HydrophobicContact CG-CD2 4.01Å; P145-Y152 HydrophobicContact CG-CG 4.08Å
153	G	93.3	Very high	91.7	Very high	2 Å²	2	51.7 Å²	51.7	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	107.4	-163.3	-176.1	0	0	0	0	0	113.7	F142 L143 C155	F142-G153 CarbonylContact C-O 3.55Å; F142-G153 WeakPolarHBondContact CA-O 3.34Å; L143-G153 PolarHBondContact N-O 3.16Å; L143-G153 PolarHBondContact O-N 2.98Å; G153-C155 PolarHBondContact O-SG 2.96Å
154	E	94.2	Very high	91.7	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.033	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	132.7	-177.3	-68.4	-79.7	169	0	0	111.4	T3 F5 S36 V141 F142 I169	T3-E154 PolarHBondContact OG1-N 2.84Å; T3-E154 PolarHBondContact OG1-O 2.99Å; F5-E154 HydrophobicContact CB-CB 3.85Å; F5-E154 HydrophobicContact CB-CG 3.6Å; F5-E154 HydrophobicContact CD1-CB 4.15Å; F5-E154 HydrophobicContact CD1-CG 3.57Å; F5-E154 HydrophobicContact CD2-CB 4.25Å; F5-E154 HydrophobicContact CE1-CG 4.29Å; F5-E154 HydrophobicContact CG-CB 3.85Å; F5-E154 HydrophobicContact CG-CG 3.67Å; S36-E154 WeakPolarHBondContact CB-OE1 3.4Å; S36-E154 WeakPolarHBondContact CB-OE2 3.41Å; S36-E154 PolarHBondContact N-OE2 3.32Å; S36-E154 VanDerWaalsContact OG-CD 3.31Å; S36-E154 PolarHBondContact OG-OE1 3.07Å; S36-E154 PolarHBondContact OG-OE2 3.19Å; V141-E154 WeakPolarHBondContact O-CA 3.47Å; F142-E154 HydrophobicContact CD2-CG 3.88Å; E154-I169 HydrophobicContact CB-CD1 3.62Å; E154-I169 HydrophobicContact CB-CG2 4.46Å; E154-I169 WeakPolarHBondContact O-CG2 3.29Å
155	C	93.6	Very high	91.8	Very high	3 Å²	3	52 Å²	52	2%	0.02	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	171.8	-176.8	43.1	0	0	0	0	110.2	V141 G153 L166 W167 L176	V141-C155 PolarHBondContact N-O 2.72Å; V141-C155 PolarHBondContact O-N 3.33Å; V141-C155 VanDerWaalsContact O-O 3.07Å; G153-C155 PolarHBondContact O-SG 2.96Å; C155-L166 HydrophobicContact CB-CD1 3.92Å; C155-L166 HydrophobicContact CB-CD2 4.2Å; C155-L166 HydrophobicContact CB-CG 3.87Å; C155-L166 VanDerWaalsContact SG-CD1 3.52Å; C155-W167 WeakPolarHBondContact CB-O 3.43Å; C155-L176 HydrophobicContact CB-CD1 4.35Å
156	K	94.4	Very high	91.9	Very high	45 Å²	45	47.7 Å²	47.7	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.9	175.2	-74.7	-164.9	175.9	-165.6	0	110.9	R138 F139 W167	R138-K156 HydrophobicContact CB-CB 4.08Å; R138-K156 HydrophobicContact CB-CD 4.14Å; F139-K156 CarbonylContact O-C 3.59Å; F139-K156 VanDerWaalsContact O-CA 3.29Å; F139-K156 WeakPolarHBondContact O-CA 3.49Å; K156-W167 HydrophobicContact CB-CB 4.11Å; K156-W167 PolarHBondContact N-O 3.42Å; K156-W167 PolarHBondContact O-N 3.21Å
157	L	96.3	Very high	92.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.1	177.6	-167.7	73.8	0	0	0	109.9	R138 F139 V141 I159 I164 Y165 L166 F194 F211 I219	R138-L157 CarbonylContact C-O 3.58Å; R138-L157 WeakPolarHBondContact CA-O 3.21Å; F139-L157 HydrophobicContact CB-CB 4.41Å; F139-L157 PolarHBondContact N-O 3.5Å; F139-L157 PolarHBondContact O-N 3.07Å; V141-L157 HydrophobicContact CG1-CB 3.84Å; V141-L157 HydrophobicContact CG1-CD2 4.29Å; V141-L157 HydrophobicContact CG2-CB 3.83Å; L157-I159 HydrophobicContact CD2-CD1 4.09Å; L157-I159 HydrophobicContact CG-CD1 4.17Å; L157-I164 HydrophobicContact CD1-CG2 3.49Å; L157-I164 VanDerWaalsContact CD1-CG2 3.49Å; L157-I164 HydrophobicContact CG-CG2 4.21Å; L157-Y165 WeakPolarHBondContact CA-O 3.35Å; L157-L166 HydrophobicContact CD1-CD1 3.89Å; L157-F194 HydrophobicContact CD2-CD1 4.27Å; L157-F194 HydrophobicContact CD2-CE1 4.48Å; L157-F211 HydrophobicContact CD1-CE1 4.08Å; L157-F211 HydrophobicContact CD1-CZ 4.19Å; L157-I219 HydrophobicContact CD2-CD1 4.15Å; L157-I219 HydrophobicContact CD2-CG1 4.36Å; L157-I219 HydrophobicContact CD2-CG2 3.64Å
158	Q	96	Very high	92.4	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.075	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.9	173.9	-171.1	-175.8	13	0	0	109.4	R138 T160 I164 Y165	R138-Q158 HydrophobicContact CG-CB 4.04Å; R138-Q158 HydrophobicContact CG-CG 4.19Å; Q158-T160 HydrophobicContact CG-CG2 4.34Å; Q158-I164 WeakPolarHBondContact O-CA 3.45Å; Q158-Y165 PolarHBondContact N-O 2.8Å; Q158-Y165 PolarHBondContact O-N 3.42Å
159	I	95.5	Very high	92.7	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.051	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.5	177.2	-57.7	92.4	0	0	0	107.1	F139 L157 I219 R222 V223	F139-I159 HydrophobicContact CD2-CD1 3.71Å; F139-I159 HydrophobicContact CE2-CD1 3.63Å; L157-I159 HydrophobicContact CD2-CD1 4.09Å; L157-I159 HydrophobicContact CG-CD1 4.17Å; I159-I219 HydrophobicContact CD1-CG2 4.09Å; I159-R222 HydrophobicContact CB-CB 4.26Å; I159-R222 HydrophobicContact CG2-CB 4.19Å; I159-V223 HydrophobicContact CG1-CG2 3.79Å; I159-V223 HydrophobicContact CG2-CG2 3.99Å
160	T	94.1	Very high	92.6	Very high	38 Å²	38	45.4 Å²	45.4	23%	0.233	22%	0.218	C	C	.	.			trans	-101.9	179.6	174.8	65.8	0	0	0	0	110.1	Q158 E162 N163 Y165 L181	Q158-T160 HydrophobicContact CG-CG2 4.34Å; T160-E162 PolarHBondContact O-N 2.97Å; T160-N163 PolarHBondContact N-O 3Å; T160-N163 PolarHBondContact OG1-N 3.21Å; T160-N163 PolarHBondContact OG1-O 3.4Å; T160-Y165 HydrophobicContact CG2-CD2 3.78Å; T160-Y165 HydrophobicContact CG2-CE2 3.63Å; T160-L181 WeakPolarHBondContact O-CD1 3.46Å
161	H	92.1	Very high	92.6	Very high	159 Å²	159	42.9 Å²	42.9	74%	0.736	20%	0.204	S	C	*	.	S	Bend	trans	-62.3	-23	177.4	-58.5	98.4	0	0	0	113.7	I230	H161-I230 WeakPolarHBondContact O-CD1 3.25Å
162	E	91.2	Very high	92.4	Very high	133 Å²	133	43.1 Å²	43.1	62%	0.621	21%	0.206	S	C	*	.	S	Bend	trans	-123.4	-26.2	-173.3	-65.6	-178.6	175	0	0	113.7	T160 L181	T160-E162 PolarHBondContact O-N 2.97Å; E162-L181 WeakPolarHBondContact O-CB 3.31Å; E162-L181 PolarHBondContact O-N 3.3Å
163	N	94	Very high	92.1	Very high	27 Å²	27	49.6 Å²	49.6	14%	0.144	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149	-167.7	-68.3	-80.1	0	0	0	112.3	T160 Y165 W179 P180	T160-N163 PolarHBondContact N-O 3Å; T160-N163 PolarHBondContact OG1-N 3.21Å; T160-N163 PolarHBondContact OG1-O 3.4Å; N163-Y165 HydrophobicContact CB-CD1 4.46Å; N163-Y165 HydrophobicContact CB-CD2 4.37Å; N163-Y165 HydrophobicContact CB-CE1 3.85Å; N163-Y165 HydrophobicContact CB-CE2 3.73Å; N163-Y165 VanDerWaalsContact CB-CZ 3.45Å; N163-Y165 PolarHBondContact ND2-OH 3.34Å; N163-W179 WeakPolarHBondContact CA-O 3.26Å; N163-P180 VanDerWaalsContact OD1-CA 3.3Å; N163-P180 WeakPolarHBondContact OD1-CA 3.39Å
164	I	95.5	Very high	92	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.9	160.6	-58.6	178.7	0	0	0	107.7	L157 Q158 S178 W179 L181 L184 F196 V223	L157-I164 HydrophobicContact CD1-CG2 3.49Å; L157-I164 VanDerWaalsContact CD1-CG2 3.49Å; L157-I164 HydrophobicContact CG-CG2 4.21Å; Q158-I164 WeakPolarHBondContact O-CA 3.45Å; I164-S178 CarbonylContact O-C 3.59Å; I164-S178 WeakPolarHBondContact O-CA 3.33Å; I164-W179 HydrophobicContact CB-CB 4.45Å; I164-W179 HydrophobicContact CB-CE3 4.2Å; I164-W179 HydrophobicContact CG2-CE3 3.91Å; I164-W179 HydrophobicContact CG2-CZ3 4.27Å; I164-W179 PolarHBondContact N-O 3.28Å; I164-W179 PolarHBondContact O-N 3.37Å; I164-L181 HydrophobicContact CD1-CD2 3.92Å; I164-L181 HydrophobicContact CG1-CD2 3.65Å; I164-L181 HydrophobicContact CG1-CG 4.44Å; I164-L184 HydrophobicContact CD1-CD1 3.89Å; I164-F196 HydrophobicContact CD1-CD1 4.29Å; I164-F196 HydrophobicContact CD1-CE1 4.19Å; I164-F196 HydrophobicContact CG2-CE1 4.44Å; I164-V223 HydrophobicContact CD1-CG1 4.38Å; I164-V223 HydrophobicContact CD1-CG2 3.87Å; I164-V223 HydrophobicContact CG1-CG2 4.4Å
165	Y	94.9	Very high	91.9	Very high	51 Å²	51	57.1 Å²	57.1	20%	0.2	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.9	176.3	-62.6	-62.4	0	0	0	111.1	L157 Q158 T160 N163 K175	L157-Y165 WeakPolarHBondContact CA-O 3.35Å; Q158-Y165 PolarHBondContact N-O 2.8Å; Q158-Y165 PolarHBondContact O-N 3.42Å; T160-Y165 HydrophobicContact CG2-CD2 3.78Å; T160-Y165 HydrophobicContact CG2-CE2 3.63Å; N163-Y165 HydrophobicContact CB-CD1 4.46Å; N163-Y165 HydrophobicContact CB-CD2 4.37Å; N163-Y165 HydrophobicContact CB-CE1 3.85Å; N163-Y165 HydrophobicContact CB-CE2 3.73Å; N163-Y165 VanDerWaalsContact CB-CZ 3.45Å; N163-Y165 PolarHBondContact ND2-OH 3.34Å; Y165-K175 HydrophobicContact CD1-CD 3.53Å; Y165-K175 HydrophobicContact CD1-CG 4.3Å; Y165-K175 HydrophobicContact CE1-CD 3.87Å; Y165-K175 HydrophobicContact CG-CD 4.42Å
166	L	94.8	Very high	91.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131	165.6	-155	67.4	0	0	0	109.7	V141 L143 V151 C155 L157 L176 V177 W179 F211	V141-L166 HydrophobicContact CG2-CD1 4.19Å; L143-L166 HydrophobicContact CD2-CD2 3.63Å; V151-L166 HydrophobicContact CG1-CD2 4.36Å; C155-L166 HydrophobicContact CB-CD1 3.92Å; C155-L166 HydrophobicContact CB-CD2 4.2Å; C155-L166 HydrophobicContact CB-CG 3.87Å; C155-L166 VanDerWaalsContact SG-CD1 3.52Å; L157-L166 HydrophobicContact CD1-CD1 3.89Å; L166-L176 HydrophobicContact CB-CB 4.32Å; L166-L176 HydrophobicContact CD2-CD1 4.31Å; L166-L176 HydrophobicContact CG-CD1 4.35Å; L166-L176 PolarHBondContact O-N 3.37Å; L166-V177 HydrophobicContact CB-CG1 3.47Å; L166-V177 VanDerWaalsContact CB-CG1 3.47Å; L166-V177 HydrophobicContact CD2-CG1 3.85Å; L166-V177 HydrophobicContact CG-CG1 4.33Å; L166-V177 PolarHBondContact N-O 3.04Å; L166-W179 HydrophobicContact CB-CH2 4.27Å; L166-W179 HydrophobicContact CB-CZ3 4.02Å; L166-W179 HydrophobicContact CD2-CH2 4.36Å; L166-F211 HydrophobicContact CD1-CD1 4.46Å; L166-F211 HydrophobicContact CD1-CE1 3.69Å
167	W	93.8	Very high	91.8	Very high	31 Å²	31	58 Å²	58	12%	0.117	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.8	-179.1	-60.9	92.1	0	0	0	111	C155 K156 V174 K175	C155-W167 WeakPolarHBondContact CB-O 3.43Å; K156-W167 HydrophobicContact CB-CB 4.11Å; K156-W167 PolarHBondContact N-O 3.42Å; K156-W167 PolarHBondContact O-N 3.21Å; W167-V174 WeakPolarHBondContact CA-O 3.47Å; W167-K175 HydrophobicContact CE3-CB 4Å; W167-K175 HydrophobicContact CH2-CB 4.17Å; W167-K175 HydrophobicContact CZ3-CB 3.79Å
168	D	91.3	Very high	91.6	Very high	34 Å²	34	58.6 Å²	58.6	18%	0.182	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	138.7	174	-170.6	-84.2	0	0	0	111.1	H170 N171 V174 L176	D168-H170 VanDerWaalsContact OD1-CA 3.31Å; D168-H170 WeakPolarHBondContact OD1-CA 3.47Å; D168-H170 VanDerWaalsContact OD1-CB 3.31Å; D168-H170 WeakPolarHBondContact OD1-CB 3.1Å; D168-H170 PolarHBondContact OD1-N 3.04Å; D168-N171 CarbonylContact O-C 3.48Å; D168-N171 PolarHBondContact OD1-N 3.03Å; D168-V174 HydrophobicContact CB-CB 3.97Å; D168-V174 HydrophobicContact CB-CG1 4.21Å; D168-V174 PolarHBondContact N-O 2.65Å; D168-L176 HydrophobicContact CB-CD1 4.33Å; D168-L176 HydrophobicContact CB-CD2 4.07Å; D168-L176 HydrophobicContact CB-CG 4.21Å
169	I	88.5	Confident	91.5	Very high	29 Å²	29	57.9 Å²	57.9	15%	0.149	28%	0.275	C	S	.	.	S	Bend	trans	-78.5	-25.7	-177.8	-166.6	160.4	0	0	0	113.1	F5 E154	F5-I169 HydrophobicContact CD2-CD1 3.78Å; F5-I169 HydrophobicContact CD2-CG1 4.29Å; F5-I169 HydrophobicContact CD2-CG2 4Å; F5-I169 HydrophobicContact CE1-CD1 4.14Å; F5-I169 HydrophobicContact CE2-CD1 3.23Å; F5-I169 HydrophobicContact CE2-CG1 3.66Å; F5-I169 HydrophobicContact CE2-CG2 4.17Å; F5-I169 HydrophobicContact CG-CD1 4.41Å; F5-I169 HydrophobicContact CZ-CD1 3.4Å; F5-I169 HydrophobicContact CZ-CG1 4.19Å; E154-I169 HydrophobicContact CB-CD1 3.62Å; E154-I169 HydrophobicContact CB-CG2 4.46Å; E154-I169 WeakPolarHBondContact O-CG2 3.29Å
170	H	85.1	Confident	91.4	Very high	124 Å²	124	58.9 Å²	58.9	57%	0.574	28%	0.282	S	S	*	.	S	Bend	trans	-89.4	-36.6	179.2	-58.5	-69.8	0	0	0	111.6	D168	D168-H170 VanDerWaalsContact OD1-CA 3.31Å; D168-H170 WeakPolarHBondContact OD1-CA 3.47Å; D168-H170 VanDerWaalsContact OD1-CB 3.31Å; D168-H170 WeakPolarHBondContact OD1-CB 3.1Å; D168-H170 PolarHBondContact OD1-N 3.04Å
171	N	86.1	Confident	91.3	Very high	74 Å²	74	57 Å²	57	40%	0.396	27%	0.271	S	S	.	.			trans	-120.4	97.5	176.5	-169.5	-19.3	0	0	0	110.9	D168 R173 V174	D168-N171 CarbonylContact O-C 3.48Å; D168-N171 PolarHBondContact OD1-N 3.03Å; N171-R173 PolarHBondContact O-N 3.05Å; N171-R173 WeakPolarHBondContact OD1-CB 3.28Å; N171-R173 PolarHBondContact OD1-N 2.81Å; N171-R173 VanDerWaalsContact OD1-N 3.14Å; N171-V174 HydrophobicContact CB-CB 4.29Å; N171-V174 HydrophobicContact CB-CG2 3.86Å; N171-V174 WeakPolarHBondContact ND2-CG2 3.47Å; N171-V174 PolarHBondContact O-N 3.33Å
172	P	83.8	Confident	91.3	Very high	40 Å²	40	51.1 Å²	51.1	26%	0.26	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-8	-175.8	27.4	-35.3	0	0	0	114	R138	R138-P172 PolarHBondContact NH1-O 3.43Å
173	R	86.6	Confident	91.2	Very high	218 Å²	218	45.6 Å²	45.6	82%	0.823	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.8	175.9	-58.6	-178	-178.1	174.5	0.3	113.3	N171	N171-R173 PolarHBondContact O-N 3.05Å; N171-R173 WeakPolarHBondContact OD1-CB 3.28Å; N171-R173 PolarHBondContact OD1-N 2.81Å; N171-R173 VanDerWaalsContact OD1-N 3.14Å
174	V	90.6	Very high	91.1	Very high	62 Å²	62	44.4 Å²	44.4	38%	0.376	22%	0.216	S	C	.	.			trans	-94	111.9	-177.4	175	0	0	0	0	109.8	W167 D168 N171 L176	W167-V174 WeakPolarHBondContact CA-O 3.47Å; D168-V174 HydrophobicContact CB-CB 3.97Å; D168-V174 HydrophobicContact CB-CG1 4.21Å; D168-V174 PolarHBondContact N-O 2.65Å; N171-V174 HydrophobicContact CB-CB 4.29Å; N171-V174 HydrophobicContact CB-CG2 3.86Å; N171-V174 WeakPolarHBondContact ND2-CG2 3.47Å; N171-V174 PolarHBondContact O-N 3.33Å; V174-L176 HydrophobicContact CG1-CD2 4.3Å
175	K	92.2	Very high	90.9	Very high	105 Å²	105	48.1 Å²	48.1	46%	0.457	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.3	169.8	-176.6	-178.5	62.8	163.6	0	109	Y165 W167	Y165-K175 HydrophobicContact CD1-CD 3.53Å; Y165-K175 HydrophobicContact CD1-CG 4.3Å; Y165-K175 HydrophobicContact CE1-CD 3.87Å; Y165-K175 HydrophobicContact CG-CD 4.42Å; W167-K175 HydrophobicContact CE3-CB 4Å; W167-K175 HydrophobicContact CH2-CB 4.17Å; W167-K175 HydrophobicContact CZ3-CB 3.79Å
176	L	91.9	Very high	90.8	Very high	55 Å²	55	51 Å²	51	29%	0.288	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-46.8	-179.9	-61.6	173.6	0	0	0	111.7	V151 C155 L166 D168 V174	V151-L176 HydrophobicContact CG1-CB 4.43Å; V151-L176 HydrophobicContact CG1-CD1 3.86Å; C155-L176 HydrophobicContact CB-CD1 4.35Å; L166-L176 HydrophobicContact CB-CB 4.32Å; L166-L176 HydrophobicContact CD2-CD1 4.31Å; L166-L176 HydrophobicContact CG-CD1 4.35Å; L166-L176 PolarHBondContact O-N 3.37Å; D168-L176 HydrophobicContact CB-CD1 4.33Å; D168-L176 HydrophobicContact CB-CD2 4.07Å; D168-L176 HydrophobicContact CB-CG 4.21Å; V174-L176 HydrophobicContact CG1-CD2 4.3Å
177	V	92.5	Very high	90.8	Very high	13 Å²	13	51.6 Å²	51.6	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	154.4	-177.3	55.2	0	0	0	0	110.7	L149 L166 W179 A204	L149-V177 HydrophobicContact CD1-CB 4.44Å; L149-V177 HydrophobicContact CD2-CG1 4.03Å; L166-V177 HydrophobicContact CB-CG1 3.47Å; L166-V177 VanDerWaalsContact CB-CG1 3.47Å; L166-V177 HydrophobicContact CD2-CG1 3.85Å; L166-V177 HydrophobicContact CG-CG1 4.33Å; L166-V177 PolarHBondContact N-O 3.04Å; V177-W179 HydrophobicContact CB-CH2 4.29Å; V177-W179 HydrophobicContact CB-CZ2 4.31Å; V177-W179 HydrophobicContact CG1-CE3 4.41Å; V177-W179 HydrophobicContact CG1-CH2 3.18Å; V177-W179 HydrophobicContact CG1-CZ2 3.58Å; V177-W179 HydrophobicContact CG1-CZ3 3.65Å; V177-W179 HydrophobicContact CG2-CD2 4.24Å; V177-W179 HydrophobicContact CG2-CH2 4.13Å; V177-W179 HydrophobicContact CG2-CZ2 3.7Å; V177-A204 HydrophobicContact CG2-CB 3.9Å
178	S	93.2	Very high	90.9	Very high	12 Å²	12	50.8 Å²	50.8	8%	0.084	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.3	175.1	35.1	0	0	0	0	111.9	I164 D203	I164-S178 CarbonylContact O-C 3.59Å; I164-S178 WeakPolarHBondContact O-CA 3.33Å; S178-D203 PolarHBondContact OG-OD2 3.12Å
179	W	93.8	Very high	91.1	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	116.4	170	-57.3	-87.5	0	0	0	109.8	L149 N163 I164 L166 V177 L181 F196 Y209 F211	L149-W179 HydrophobicContact CD2-CH2 4.47Å; L149-W179 HydrophobicContact CD2-CZ2 4.07Å; N163-W179 WeakPolarHBondContact CA-O 3.26Å; I164-W179 HydrophobicContact CB-CB 4.45Å; I164-W179 HydrophobicContact CB-CE3 4.2Å; I164-W179 HydrophobicContact CG2-CE3 3.91Å; I164-W179 HydrophobicContact CG2-CZ3 4.27Å; I164-W179 PolarHBondContact N-O 3.28Å; I164-W179 PolarHBondContact O-N 3.37Å; L166-W179 HydrophobicContact CB-CH2 4.27Å; L166-W179 HydrophobicContact CB-CZ3 4.02Å; L166-W179 HydrophobicContact CD2-CH2 4.36Å; V177-W179 HydrophobicContact CB-CH2 4.29Å; V177-W179 HydrophobicContact CB-CZ2 4.31Å; V177-W179 HydrophobicContact CG1-CE3 4.41Å; V177-W179 HydrophobicContact CG1-CH2 3.18Å; V177-W179 HydrophobicContact CG1-CZ2 3.58Å; V177-W179 HydrophobicContact CG1-CZ3 3.65Å; V177-W179 HydrophobicContact CG2-CD2 4.24Å; V177-W179 HydrophobicContact CG2-CH2 4.13Å; V177-W179 HydrophobicContact CG2-CZ2 3.7Å; W179-L181 PolarHBondContact O-N 3.09Å; W179-F196 HydrophobicContact CB-CE2 4.32Å; W179-F196 HydrophobicContact CB-CZ 4.46Å; W179-F196 AromaticContact CD1-CE2 3.92Å; W179-F196 AromaticContact CD2-CE2 3.88Å; W179-F196 HydrophobicContact CD2-CE2 3.88Å; W179-F196 AromaticContact CD2-CZ 3.47Å; W179-F196 HydrophobicContact CD2-CZ 3.47Å; W179-F196 VanDerWaalsContact CD2-CZ 3.47Å; W179-F196 AromaticContact CE2-CZ 3.72Å; W179-F196 HydrophobicContact CE3-CE1 4.43Å; W179-F196 HydrophobicContact CE3-CE2 4.45Å; W179-F196 AromaticContact CE3-CZ 3.62Å; W179-F196 HydrophobicContact CE3-CZ 3.62Å; W179-F196 AromaticContact CG-CE2 3.8Å; W179-F196 HydrophobicContact CG-CE2 3.8Å; W179-F196 AromaticContact CG-CZ 3.87Å; W179-F196 HydrophobicContact CG-CZ 3.87Å; W179-F196 HydrophobicContact CH2-CZ 4.14Å; W179-F196 HydrophobicContact CZ2-CZ 4.06Å; W179-F196 AromaticContact CZ3-CZ 3.94Å; W179-F196 HydrophobicContact CZ3-CZ 3.94Å; W179-Y209 HydrophobicContact CH2-CD1 4.46Å; W179-Y209 AromaticContact CZ2-CD1 3.61Å; W179-Y209 HydrophobicContact CZ2-CD1 3.61Å; W179-Y209 HydrophobicContact CZ2-CD2 4.38Å; W179-Y209 AromaticContact CZ2-CE1 3.66Å; W179-Y209 HydrophobicContact CZ2-CE1 3.66Å; W179-Y209 HydrophobicContact CZ2-CE2 4.43Å; W179-Y209 AromaticContact CZ2-CG 3.98Å; W179-Y209 HydrophobicContact CZ2-CG 3.98Å; W179-Y209 AromaticContact NE1-CD2 3.89Å; W179-Y209 AromaticContact NE1-CE1 3.91Å; W179-Y209 AromaticContact NE1-CE2 3.39Å; W179-Y209 AromaticContact NE1-CZ 3.38Å; W179-F211 AromaticContact CH2-CZ 3.97Å; W179-F211 HydrophobicContact CH2-CZ 3.97Å; W179-F211 HydrophobicContact CZ3-CZ 4.23Å
180	P	93.4	Very high	91.3	Very high	31 Å²	31	56.2 Å²	56.2	20%	0.201	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.5	169.9	-23.4	33.4	0	0	0	110.7	N163 C182 S183	N163-P180 VanDerWaalsContact OD1-CA 3.3Å; N163-P180 WeakPolarHBondContact OD1-CA 3.39Å; P180-C182 PolarHBondContact O-N 2.87Å; P180-S183 WeakPolarHBondContact O-CB 3.3Å; P180-S183 PolarHBondContact O-N 3.42Å
181	L	92.8	Very high	91.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-59.5	-35.1	178.2	-74.3	172.3	0	0	0	111.4	T160 E162 I164 W179 S183 L184 V223 A226 I230	T160-L181 WeakPolarHBondContact O-CD1 3.46Å; E162-L181 WeakPolarHBondContact O-CB 3.31Å; E162-L181 PolarHBondContact O-N 3.3Å; I164-L181 HydrophobicContact CD1-CD2 3.92Å; I164-L181 HydrophobicContact CG1-CD2 3.65Å; I164-L181 HydrophobicContact CG1-CG 4.44Å; W179-L181 PolarHBondContact O-N 3.09Å; L181-S183 PolarHBondContact O-N 3.34Å; L181-S183 VanDerWaalsContact O-N 3.16Å; L181-L184 HydrophobicContact CD2-CD1 3.87Å; L181-L184 WeakPolarHBondContact O-CB 3.41Å; L181-L184 WeakPolarHBondContact O-CG 3.36Å; L181-L184 PolarHBondContact O-N 2.79Å; L181-V223 HydrophobicContact CD2-CG1 4.02Å; L181-A226 HydrophobicContact CD1-CB 3.49Å; L181-A226 VanDerWaalsContact CD1-CB 3.49Å; L181-I230 HydrophobicContact CB-CD1 3.47Å; L181-I230 VanDerWaalsContact CB-CD1 3.47Å; L181-I230 HydrophobicContact CD1-CD1 3.84Å; L181-I230 HydrophobicContact CG-CD1 4.32Å
182	C	90.6	Very high	92	Very high	35 Å²	35	54.6 Å²	54.6	24%	0.236	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-67.6	-7.4	174.7	66	0	0	0	0	114.2	P180 P266	P180-C182 PolarHBondContact O-N 2.87Å; C182-P266 WeakPolarHBondContact O-CB 3.46Å; C182-P266 WeakPolarHBondContact O-CG 3.26Å
183	S	90	Very high	92.5	Very high	16 Å²	16	57.2 Å²	57.2	11%	0.112	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-102.2	-2.5	176.8	-65	0	0	0	0	112.8	P180 L181 G199 C202	P180-S183 WeakPolarHBondContact O-CB 3.3Å; P180-S183 PolarHBondContact O-N 3.42Å; L181-S183 PolarHBondContact O-N 3.34Å; L181-S183 VanDerWaalsContact O-N 3.16Å; S183-G199 WeakPolarHBondContact O-CA 3.5Å; S183-G199 PolarHBondContact O-N 3.29Å; S183-C202 WeakPolarHBondContact CB-SG 3.13Å
184	L	92.2	Very high	93	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	135.3	178	-58.3	-175.6	0	0	0	111.3	I164 L181 Y187 F196 V223	I164-L184 HydrophobicContact CD1-CD1 3.89Å; L181-L184 HydrophobicContact CD2-CD1 3.87Å; L181-L184 WeakPolarHBondContact O-CB 3.41Å; L181-L184 WeakPolarHBondContact O-CG 3.36Å; L181-L184 PolarHBondContact O-N 2.79Å; L184-Y187 HydrophobicContact CD1-CD1 4.22Å; L184-F196 HydrophobicContact CD2-CB 4.41Å; L184-F196 HydrophobicContact CD2-CD2 3.5Å; L184-F196 VanDerWaalsContact CD2-CD2 3.5Å; L184-F196 HydrophobicContact CD2-CE2 3.98Å; L184-F196 HydrophobicContact CD2-CG 4.12Å; L184-V223 HydrophobicContact CD1-CG1 4.07Å
185	R	90.8	Very high	93.3	Very high	79 Å²	79	44.7 Å²	44.7	30%	0.298	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-45.2	173.6	-69.8	175.9	177.1	163.9	7.5	111.6	E197 E206 S268	R185-E197 HydrophobicContact CB-CB 4.3Å; R185-E197 HydrophobicContact CB-CG 4.34Å; R185-E197 WeakPolarHBondContact CD-OE1 3.14Å; R185-E197 IonicContact CZ-OE1 3.37Å; R185-E197 PolarHBondContact N-O 3.19Å; R185-E197 IonicContact NE-OE1 3.18Å; R185-E197 IonicContact NH1-OE1 2.7Å; R185-E197 PolarHBondContact NH1-OE1 2.88Å; R185-E206 IonicContact CZ-OE2 3.53Å; R185-E206 IonicContact NH1-OE2 3.97Å; R185-E206 PolarHBondContact NH1-OE2 3.19Å; R185-E206 IonicContact NH2-OE2 3.43Å; R185-E206 PolarHBondContact NH2-OE2 3.07Å; R185-S268 VanDerWaalsContact O-CB 3.25Å; R185-S268 WeakPolarHBondContact O-CB 3.19Å; R185-S268 PolarHBondContact O-OG 2.84Å
186	R	92.2	Very high	93.4	Very high	112 Å²	112	39.7 Å²	39.7	42%	0.423	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	158.3	177.6	69.4	-173.8	84.2	-155.6	1.1	110.4	F196 E197 F306	R186-F196 CarbonylContact O-C 2.91Å; R186-F196 WeakPolarHBondContact O-CA 3.28Å; R186-E197 HydrophobicContact CG-CB 3.77Å; R186-E197 IonicContact CZ-OE2 3.77Å; R186-E197 IonicContact NE-OE2 3.89Å; R186-E197 PolarHBondContact NE-OE2 3.03Å; R186-E197 IonicContact NH2-OE2 2.9Å; R186-E197 PolarHBondContact NH2-OE2 3.48Å; R186-E197 PolarHBondContact O-N 2.95Å; R186-F306 HydrophobicContact CG-CD1 4.46Å; R186-F306 HydrophobicContact CG-CE1 4.48Å
187	Y	95.9	Very high	93.6	Very high	11 Å²	11	38.8 Å²	38.8	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156.9	172	52	-93.4	0	0	0	110.2	L184 T195 Y220 V223 H224 T227 Y270	L184-Y187 HydrophobicContact CD1-CD1 4.22Å; Y187-T195 CarbonylContact C-O 3.54Å; Y187-T195 VanDerWaalsContact CA-O 3.25Å; Y187-T195 WeakPolarHBondContact CA-O 3.3Å; Y187-Y220 AromaticContact CD2-CD2 3.72Å; Y187-Y220 HydrophobicContact CD2-CD2 3.72Å; Y187-Y220 AromaticContact CD2-CE2 3.56Å; Y187-Y220 HydrophobicContact CD2-CE2 3.56Å; Y187-Y220 HydrophobicContact CE2-CD2 4.08Å; Y187-Y220 AromaticContact CE2-CE2 3.62Å; Y187-Y220 HydrophobicContact CE2-CE2 3.62Å; Y187-V223 HydrophobicContact CD1-CG1 3.98Å; Y187-V223 HydrophobicContact CD2-CG1 4.1Å; Y187-V223 HydrophobicContact CE1-CG1 4.18Å; Y187-V223 HydrophobicContact CE2-CG1 4.3Å; Y187-V223 HydrophobicContact CG-CG1 3.95Å; Y187-H224 HydrophobicContact CE2-CB 3.98Å; Y187-H224 AromaticContact CE2-ND1 3.92Å; Y187-H224 AromaticContact CZ-ND1 3.84Å; Y187-H224 PolarHBondContact OH-ND1 2.9Å; Y187-T227 HydrophobicContact CE1-CG2 3.9Å; Y187-Y270 HydrophobicContact CE1-CE1 4.46Å
188	G	94.5	Very high	93.6	Very high	14 Å²	14	38.2 Å²	38.2	14%	0.144	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	172	-175.9	0	0	0	0	0	111.5	F194 T195	G188-F194 VanDerWaalsContact O-CD2 3.23Å; G188-F194 WeakPolarHBondContact O-CD2 3.28Å; G188-T195 PolarHBondContact N-O 3.33Å; G188-T195 PolarHBondContact O-N 2.87Å
189	R	95.7	Very high	93.3	Very high	102 Å²	102	38 Å²	38	39%	0.385	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	158.2	-178.9	76.9	-53.7	-171.8	-156.1	-2.5	111.5	R193 F194 G216 E217 Y220	R189-R193 CarbonylContact C-O 3.59Å; R189-R193 VanDerWaalsContact CA-O 3.25Å; R189-R193 WeakPolarHBondContact CA-O 3.04Å; R189-R193 WeakPolarHBondContact CB-O 3.4Å; R189-F194 HydrophobicContact CB-CD2 4.23Å; R189-G216 WeakPolarHBondContact CB-O 3.14Å; R189-E217 IonicContact CZ-OE2 3.43Å; R189-E217 VanDerWaalsContact CZ-OE2 3.29Å; R189-E217 IonicContact NE-OE2 2.73Å; R189-E217 PolarHBondContact NE-OE2 2.87Å; R189-E217 IonicContact NH2-OE1 3.49Å; R189-E217 IonicContact NH2-OE2 3.19Å; R189-E217 PolarHBondContact NH2-OE2 3.06Å; R189-Y220 VanDerWaalsContact CD-CG 3.45Å; R189-Y220 HydrophobicContact CG-CD2 4.41Å; R189-Y220 HydrophobicContact CG-CG 4.07Å
190	D	93.4	Very high	92.9	Very high	75 Å²	75	46.9 Å²	46.9	40%	0.401	23%	0.232	S	C	.	.			trans	-132.1	-171.1	164.4	66	48.3	0	0	0	109.5	T192 R193	D190-T192 PolarHBondContact O-N 3.27Å; D190-T192 VanDerWaalsContact O-N 3.16Å; D190-T192 WeakPolarHBondContact OD1-CA 3.43Å; D190-T192 PolarHBondContact OD1-N 3.46Å; D190-T192 PolarHBondContact OD1-OG1 3.42Å; D190-R193 PolarHBondContact N-O 3.15Å; D190-R193 PolarHBondContact OD1-N 3.17Å
191	A	91.9	Very high	92.1	Very high	90 Å²	90	51.4 Å²	51.4	74%	0.744	25%	0.252	S	S	*	.	S	Bend	trans	-65.4	-14.6	-177.9	0	0	0	0	0	114.4
192	T	93.5	Very high	91.4	Very high	75 Å²	75	51.7 Å²	51.7	46%	0.46	25%	0.254	S	S	.	.	S	Bend	trans	-130.2	-6.7	-171.8	63.4	0	0	0	0	113.7	D190 Q212 T213	D190-T192 PolarHBondContact O-N 3.27Å; D190-T192 VanDerWaalsContact O-N 3.16Å; D190-T192 WeakPolarHBondContact OD1-CA 3.43Å; D190-T192 PolarHBondContact OD1-N 3.46Å; D190-T192 PolarHBondContact OD1-OG1 3.42Å; T192-Q212 CarbonylContact O-C 3.56Å; T192-Q212 WeakPolarHBondContact O-CA 3.4Å; T192-T213 CarbonylContact C-O 3.55Å; T192-T213 VanDerWaalsContact CA-O 3.29Å; T192-T213 WeakPolarHBondContact CA-O 3.13Å; T192-T213 PolarHBondContact O-N 3.12Å
193	R	95.3	Very high	90.6	Very high	95 Å²	95	56.6 Å²	56.6	36%	0.358	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	150	-171.5	-60.9	173.2	-175.5	-127.4	-5.7	112.5	L144 R189 D190 T210 F211 T213	L144-R193 VanDerWaalsContact CD1-NH1 3.28Å; R189-R193 CarbonylContact C-O 3.59Å; R189-R193 VanDerWaalsContact CA-O 3.25Å; R189-R193 WeakPolarHBondContact CA-O 3.04Å; R189-R193 WeakPolarHBondContact CB-O 3.4Å; D190-R193 PolarHBondContact N-O 3.15Å; D190-R193 PolarHBondContact OD1-N 3.17Å; R193-T210 HydrophobicContact CB-CG2 4.5Å; R193-T210 HydrophobicContact CG-CG2 4.48Å; R193-F211 CarbonylContact C-O 3.57Å; R193-F211 WeakPolarHBondContact CA-O 3.43Å; R193-T213 PolarHBondContact N-O 3.23Å
194	F	96.7	Very high	90	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.9	161.2	174.1	-107.1	0	0	0	108.4	L157 G188 R189 F196 F211 T213 I219 V223	L157-F194 HydrophobicContact CD2-CD1 4.27Å; L157-F194 HydrophobicContact CD2-CE1 4.48Å; G188-F194 VanDerWaalsContact O-CD2 3.23Å; G188-F194 WeakPolarHBondContact O-CD2 3.28Å; R189-F194 HydrophobicContact CB-CD2 4.23Å; F194-F196 HydrophobicContact CD1-CD1 4.41Å; F194-F196 AromaticContact CE1-CD1 3.64Å; F194-F196 HydrophobicContact CE1-CD1 3.64Å; F194-F196 HydrophobicContact CE1-CE1 4.33Å; F194-F196 HydrophobicContact CZ-CD1 4.28Å; F194-F211 HydrophobicContact CD1-CD2 4.03Å; F194-F211 PolarHBondContact N-O 3.01Å; F194-F211 PolarHBondContact O-N 3.36Å; F194-T213 HydrophobicContact CB-CG2 4.24Å; F194-I219 HydrophobicContact CB-CG2 4.18Å; F194-I219 HydrophobicContact CD1-CG2 3.46Å; F194-I219 VanDerWaalsContact CD1-CG2 3.46Å; F194-I219 HydrophobicContact CD2-CB 4.34Å; F194-I219 HydrophobicContact CD2-CG2 3.73Å; F194-I219 HydrophobicContact CE1-CG2 3.64Å; F194-I219 HydrophobicContact CE2-CG2 3.94Å; F194-I219 HydrophobicContact CG-CB 4.24Å; F194-I219 HydrophobicContact CG-CG2 3.5Å; F194-I219 HydrophobicContact CZ-CG2 3.91Å; F194-V223 HydrophobicContact CE1-CG2 4.37Å; F194-V223 HydrophobicContact CE2-CG2 4.44Å; F194-V223 HydrophobicContact CZ-CB 4.26Å; F194-V223 HydrophobicContact CZ-CG1 4.41Å; F194-V223 HydrophobicContact CZ-CG2 3.76Å
195	T	96.5	Very high	89.4	Confident	16 Å²	16	57.8 Å²	57.8	10%	0.098	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	140.7	-178.2	-64.8	0	0	0	0	110.8	Y187 G188 L208 Y209 T210 F306	Y187-T195 CarbonylContact C-O 3.54Å; Y187-T195 VanDerWaalsContact CA-O 3.25Å; Y187-T195 WeakPolarHBondContact CA-O 3.3Å; G188-T195 PolarHBondContact N-O 3.33Å; G188-T195 PolarHBondContact O-N 2.87Å; T195-L208 HydrophobicContact CG2-CD1 3.52Å; T195-L208 HydrophobicContact CG2-CD2 4.49Å; T195-L208 HydrophobicContact CG2-CG 3.95Å; T195-Y209 VanDerWaalsContact CA-O 3.27Å; T195-Y209 WeakPolarHBondContact CA-O 3.45Å; T195-T210 WeakPolarHBondContact CG2-OG1 3.49Å; T195-T210 WeakPolarHBondContact OG1-CB 3.1Å; T195-T210 WeakPolarHBondContact OG1-CG2 3.36Å; T195-T210 PolarHBondContact OG1-OG1 2.9Å; T195-F306 HydrophobicContact CG2-CZ 4.24Å
196	F	95.2	Very high	89.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.7	170	66.8	-97.4	0	0	0	112.2	I164 W179 L184 R186 F194 A198 Y209 F211	I164-F196 HydrophobicContact CD1-CD1 4.29Å; I164-F196 HydrophobicContact CD1-CE1 4.19Å; I164-F196 HydrophobicContact CG2-CE1 4.44Å; W179-F196 HydrophobicContact CB-CE2 4.32Å; W179-F196 HydrophobicContact CB-CZ 4.46Å; W179-F196 AromaticContact CD1-CE2 3.92Å; W179-F196 AromaticContact CD2-CE2 3.88Å; W179-F196 HydrophobicContact CD2-CE2 3.88Å; W179-F196 AromaticContact CD2-CZ 3.47Å; W179-F196 HydrophobicContact CD2-CZ 3.47Å; W179-F196 VanDerWaalsContact CD2-CZ 3.47Å; W179-F196 AromaticContact CE2-CZ 3.72Å; W179-F196 HydrophobicContact CE3-CE1 4.43Å; W179-F196 HydrophobicContact CE3-CE2 4.45Å; W179-F196 AromaticContact CE3-CZ 3.62Å; W179-F196 HydrophobicContact CE3-CZ 3.62Å; W179-F196 AromaticContact CG-CE2 3.8Å; W179-F196 HydrophobicContact CG-CE2 3.8Å; W179-F196 AromaticContact CG-CZ 3.87Å; W179-F196 HydrophobicContact CG-CZ 3.87Å; W179-F196 HydrophobicContact CH2-CZ 4.14Å; W179-F196 HydrophobicContact CZ2-CZ 4.06Å; W179-F196 AromaticContact CZ3-CZ 3.94Å; W179-F196 HydrophobicContact CZ3-CZ 3.94Å; L184-F196 HydrophobicContact CD2-CB 4.41Å; L184-F196 HydrophobicContact CD2-CD2 3.5Å; L184-F196 VanDerWaalsContact CD2-CD2 3.5Å; L184-F196 HydrophobicContact CD2-CE2 3.98Å; L184-F196 HydrophobicContact CD2-CG 4.12Å; R186-F196 CarbonylContact O-C 2.91Å; R186-F196 WeakPolarHBondContact O-CA 3.28Å; F194-F196 HydrophobicContact CD1-CD1 4.41Å; F194-F196 AromaticContact CE1-CD1 3.64Å; F194-F196 HydrophobicContact CE1-CD1 3.64Å; F194-F196 HydrophobicContact CE1-CE1 4.33Å; F194-F196 HydrophobicContact CZ-CD1 4.28Å; F196-A198 HydrophobicContact CD2-CB 4.38Å; F196-A198 HydrophobicContact CE2-CB 4.19Å; F196-Y209 AromaticContact CD2-CD2 3.94Å; F196-Y209 HydrophobicContact CD2-CD2 3.94Å; F196-Y209 AromaticContact CE2-CD2 3.35Å; F196-Y209 HydrophobicContact CE2-CD2 3.35Å; F196-Y209 HydrophobicContact CE2-CE2 4.14Å; F196-Y209 AromaticContact CE2-CG 3.89Å; F196-Y209 HydrophobicContact CE2-CG 3.89Å; F196-Y209 AromaticContact CZ-CD2 3.92Å; F196-Y209 HydrophobicContact CZ-CD2 3.92Å; F196-Y209 AromaticContact CZ-CG 3.98Å; F196-Y209 HydrophobicContact CZ-CG 3.98Å; F196-Y209 PolarHBondContact N-O 3.35Å; F196-Y209 PolarHBondContact O-N 3.45Å; F196-F211 HydrophobicContact CD1-CD2 4.5Å; F196-F211 AromaticContact CD1-CE2 3.83Å; F196-F211 HydrophobicContact CD1-CE2 3.83Å; F196-F211 HydrophobicContact CE1-CD2 4.25Å; F196-F211 AromaticContact CE1-CE2 3.25Å; F196-F211 HydrophobicContact CE1-CE2 3.25Å; F196-F211 AromaticContact CE1-CZ 3.8Å; F196-F211 HydrophobicContact CE1-CZ 3.8Å; F196-F211 HydrophobicContact CZ-CE2 4.01Å; F196-F211 HydrophobicContact CZ-CZ 4.25Å
197	E	94.8	Very high	89.2	Confident	37 Å²	37	53.3 Å²	53.3	17%	0.173	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.4	170.8	-169.7	-165.2	157.4	0	0	108.6	R185 R186 G207 L208	R185-E197 HydrophobicContact CB-CB 4.3Å; R185-E197 HydrophobicContact CB-CG 4.34Å; R185-E197 WeakPolarHBondContact CD-OE1 3.14Å; R185-E197 IonicContact CZ-OE1 3.37Å; R185-E197 PolarHBondContact N-O 3.19Å; R185-E197 IonicContact NE-OE1 3.18Å; R185-E197 IonicContact NH1-OE1 2.7Å; R185-E197 PolarHBondContact NH1-OE1 2.88Å; R186-E197 HydrophobicContact CG-CB 3.77Å; R186-E197 IonicContact CZ-OE2 3.77Å; R186-E197 IonicContact NE-OE2 3.89Å; R186-E197 PolarHBondContact NE-OE2 3.03Å; R186-E197 IonicContact NH2-OE2 2.9Å; R186-E197 PolarHBondContact NH2-OE2 3.48Å; R186-E197 PolarHBondContact O-N 2.95Å; E197-G207 CarbonylContact C-O 3.51Å; E197-G207 VanDerWaalsContact CA-O 3.31Å; E197-G207 WeakPolarHBondContact CA-O 3.48Å; E197-L208 HydrophobicContact CB-CD1 4.21Å
198	A	92.7	Very high	89.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	146.7	174.8	0	0	0	0	0	111.2	F196 C202 E206 G207 Y209	F196-A198 HydrophobicContact CD2-CB 4.38Å; F196-A198 HydrophobicContact CE2-CB 4.19Å; A198-C202 HydrophobicContact CB-CB 4.37Å; A198-E206 VanDerWaalsContact O-CA 3.26Å; A198-E206 WeakPolarHBondContact O-CA 3.33Å; A198-E206 WeakPolarHBondContact O-CB 3.36Å; A198-G207 PolarHBondContact N-O 2.92Å; A198-G207 PolarHBondContact O-N 2.84Å; A198-G207 VanDerWaalsContact O-N 3.12Å; A198-Y209 HydrophobicContact CB-CD2 4.2Å; A198-Y209 HydrophobicContact CB-CE2 3.7Å
199	G	88	Confident	89.2	Confident	8 Å²	8	56.6 Å²	56.6	8%	0.082	30%	0.298	C	S	.	.			trans	-82.8	175.6	171.5	0	0	0	0	0	113.2	S183 M201 C202	S183-G199 WeakPolarHBondContact O-CA 3.5Å; S183-G199 PolarHBondContact O-N 3.29Å; G199-M201 PolarHBondContact O-N 3.41Å; G199-M201 VanDerWaalsContact O-N 3.09Å; G199-C202 PolarHBondContact O-N 3.24Å
200	R	84.6	Confident	89.2	Confident	186 Å²	186	53 Å²	53	70%	0.702	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-12	-177.3	-68.7	-176.3	-81.3	166.5	-6.2	115	C202 E206	R200-C202 VanDerWaalsContact C-N 3.31Å; R200-E206 HydrophobicContact CG-CB 3.78Å; R200-E206 VanDerWaalsContact CG-CD 3.43Å; R200-E206 HydrophobicContact CG-CG 3.89Å; R200-E206 WeakPolarHBondContact CG-OE2 3.41Å
201	M	76.4	Confident	89.3	Confident	126 Å²	126	49.4 Å²	49.4	62%	0.621	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.3	-178.4	-61.2	-58.6	-61.5	0	0	113.1	G199 M264	G199-M201 PolarHBondContact O-N 3.41Å; G199-M201 VanDerWaalsContact O-N 3.09Å; M201-M264 HydrophobicContact CE-SD 4.49Å
202	C	77.6	Confident	89.5	Confident	7 Å²	7	48.7 Å²	48.7	5%	0.047	25%	0.249	C	C	.	.	S	Bend	trans	-83.4	149.6	175.1	-61.5	0	0	0	0	111.2	S183 A198 G199 R200 A204 G205	S183-C202 WeakPolarHBondContact CB-SG 3.13Å; A198-C202 HydrophobicContact CB-CB 4.37Å; G199-C202 PolarHBondContact O-N 3.24Å; R200-C202 VanDerWaalsContact C-N 3.31Å; C202-A204 PolarHBondContact O-N 2.75Å; C202-G205 WeakPolarHBondContact O-CA 3.38Å; C202-G205 PolarHBondContact O-N 3.43Å
203	D	74.4	Confident	89.6	Confident	138 Å²	138	45.2 Å²	45.2	74%	0.738	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-35	179	-60.3	-33.3	0	0	0	112.7	S178 G205	S178-D203 PolarHBondContact OG-OD2 3.12Å; D203-G205 PolarHBondContact O-N 3.12Å
204	A	78.2	Confident	89.5	Confident	18 Å²	18	46.6 Å²	46.6	15%	0.149	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	4.2	175.5	0	0	0	0	0	113.7	V177 C202 Y209	V177-A204 HydrophobicContact CG2-CB 3.9Å; C202-A204 PolarHBondContact O-N 2.75Å; A204-Y209 VanDerWaalsContact CB-OH 3.26Å; A204-Y209 WeakPolarHBondContact CB-OH 3.27Å; A204-Y209 PolarHBondContact O-OH 3.39Å
205	G	79.8	Confident	89.3	Confident	25 Å²	25	49.9 Å²	49.9	26%	0.258	25%	0.254	S	S	.	.			trans	73.7	-177.7	-173.2	0	0	0	0	0	113.7	C202 D203	C202-G205 WeakPolarHBondContact O-CA 3.38Å; C202-G205 PolarHBondContact O-N 3.43Å; D203-G205 PolarHBondContact O-N 3.12Å
206	E	88	Confident	89.2	Confident	80 Å²	80	49.1 Å²	49.1	37%	0.374	25%	0.249	S	C	.	.	S	Bend	trans	-67.8	147.6	173.3	66.9	-173.2	146.7	0	0	110.8	N148 R185 A198 R200	N148-E206 PolarHBondContact ND2-O 3.42Å; R185-E206 IonicContact CZ-OE2 3.53Å; R185-E206 IonicContact NH1-OE2 3.97Å; R185-E206 PolarHBondContact NH1-OE2 3.19Å; R185-E206 IonicContact NH2-OE2 3.43Å; R185-E206 PolarHBondContact NH2-OE2 3.07Å; A198-E206 VanDerWaalsContact O-CA 3.26Å; A198-E206 WeakPolarHBondContact O-CA 3.33Å; A198-E206 WeakPolarHBondContact O-CB 3.36Å; R200-E206 HydrophobicContact CG-CB 3.78Å; R200-E206 VanDerWaalsContact CG-CD 3.43Å; R200-E206 HydrophobicContact CG-CG 3.89Å; R200-E206 WeakPolarHBondContact CG-OE2 3.41Å
207	G	91	Very high	89.2	Confident	16 Å²	16	52.5 Å²	52.5	17%	0.165	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.7	162.2	179.5	0	0	0	0	0	113.7	E197 A198 Y209	E197-G207 CarbonylContact C-O 3.51Å; E197-G207 VanDerWaalsContact CA-O 3.31Å; E197-G207 WeakPolarHBondContact CA-O 3.48Å; A198-G207 PolarHBondContact N-O 2.92Å; A198-G207 PolarHBondContact O-N 2.84Å; A198-G207 VanDerWaalsContact O-N 3.12Å; G207-Y209 WeakPolarHBondContact O-CD2 3.47Å; G207-Y209 WeakPolarHBondContact O-CE2 3.25Å
208	L	93.8	Very high	89.2	Confident	94 Å²	94	54.9 Å²	54.9	49%	0.492	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.4	172.9	-172.1	72.9	0	0	0	109.1	T195 E197	T195-L208 HydrophobicContact CG2-CD1 3.52Å; T195-L208 HydrophobicContact CG2-CD2 4.49Å; T195-L208 HydrophobicContact CG2-CG 3.95Å; E197-L208 HydrophobicContact CB-CD1 4.21Å
209	Y	95	Very high	89.4	Confident	1 Å²	1	54.9 Å²	54.9	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.1	-179.4	-58.3	-86.7	0	0	0	109.1	L149 W179 T195 F196 A198 A204 G207	L149-Y209 HydrophobicContact CB-CE1 4.2Å; L149-Y209 HydrophobicContact CD2-CD1 4.32Å; L149-Y209 HydrophobicContact CD2-CE1 3.97Å; W179-Y209 HydrophobicContact CH2-CD1 4.46Å; W179-Y209 AromaticContact CZ2-CD1 3.61Å; W179-Y209 HydrophobicContact CZ2-CD1 3.61Å; W179-Y209 HydrophobicContact CZ2-CD2 4.38Å; W179-Y209 AromaticContact CZ2-CE1 3.66Å; W179-Y209 HydrophobicContact CZ2-CE1 3.66Å; W179-Y209 HydrophobicContact CZ2-CE2 4.43Å; W179-Y209 AromaticContact CZ2-CG 3.98Å; W179-Y209 HydrophobicContact CZ2-CG 3.98Å; W179-Y209 AromaticContact NE1-CD2 3.89Å; W179-Y209 AromaticContact NE1-CE1 3.91Å; W179-Y209 AromaticContact NE1-CE2 3.39Å; W179-Y209 AromaticContact NE1-CZ 3.38Å; T195-Y209 VanDerWaalsContact CA-O 3.27Å; T195-Y209 WeakPolarHBondContact CA-O 3.45Å; F196-Y209 AromaticContact CD2-CD2 3.94Å; F196-Y209 HydrophobicContact CD2-CD2 3.94Å; F196-Y209 AromaticContact CE2-CD2 3.35Å; F196-Y209 HydrophobicContact CE2-CD2 3.35Å; F196-Y209 HydrophobicContact CE2-CE2 4.14Å; F196-Y209 AromaticContact CE2-CG 3.89Å; F196-Y209 HydrophobicContact CE2-CG 3.89Å; F196-Y209 AromaticContact CZ-CD2 3.92Å; F196-Y209 HydrophobicContact CZ-CD2 3.92Å; F196-Y209 AromaticContact CZ-CG 3.98Å; F196-Y209 HydrophobicContact CZ-CG 3.98Å; F196-Y209 PolarHBondContact N-O 3.35Å; F196-Y209 PolarHBondContact O-N 3.45Å; A198-Y209 HydrophobicContact CB-CD2 4.2Å; A198-Y209 HydrophobicContact CB-CE2 3.7Å; A204-Y209 VanDerWaalsContact CB-OH 3.26Å; A204-Y209 WeakPolarHBondContact CB-OH 3.27Å; A204-Y209 PolarHBondContact O-OH 3.39Å; G207-Y209 WeakPolarHBondContact O-CD2 3.47Å; G207-Y209 WeakPolarHBondContact O-CE2 3.25Å
210	T	95.9	Very high	89.8	Confident	25 Å²	25	55.6 Å²	55.6	15%	0.153	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128	179.9	-64.2	0	0	0	0	110.2	L144 R193 T195	L144-T210 HydrophobicContact CD1-CG2 3.47Å; L144-T210 VanDerWaalsContact CD1-CG2 3.47Å; L144-T210 HydrophobicContact CG-CG2 4.18Å; L144-T210 PolarHBondContact N-O 2.91Å; R193-T210 HydrophobicContact CB-CG2 4.5Å; R193-T210 HydrophobicContact CG-CG2 4.48Å; T195-T210 WeakPolarHBondContact CG2-OG1 3.49Å; T195-T210 WeakPolarHBondContact OG1-CB 3.1Å; T195-T210 WeakPolarHBondContact OG1-CG2 3.36Å; T195-T210 PolarHBondContact OG1-OG1 2.9Å
211	F	96.6	Very high	90.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.8	-180	-60.1	-88.5	0	0	0	108.4	V141 F142 L143 L157 L166 W179 R193 F194 F196	V141-F211 HydrophobicContact CB-CB 4.1Å; V141-F211 HydrophobicContact CB-CD1 4.06Å; V141-F211 HydrophobicContact CB-CG 4.49Å; V141-F211 HydrophobicContact CG1-CB 4.38Å; V141-F211 HydrophobicContact CG2-CD1 3.61Å; V141-F211 HydrophobicContact CG2-CE1 4.3Å; V141-F211 HydrophobicContact CG2-CG 4.46Å; F142-F211 CarbonylContact O-C 3.58Å; F142-F211 WeakPolarHBondContact O-CA 3.4Å; L143-F211 HydrophobicContact CB-CD1 4.14Å; L143-F211 HydrophobicContact CB-CE1 4.05Å; L143-F211 HydrophobicContact CD1-CD1 4.16Å; L143-F211 HydrophobicContact CD1-CE1 3.72Å; L143-F211 HydrophobicContact CD1-CE2 4.46Å; L143-F211 HydrophobicContact CD1-CZ 3.89Å; L143-F211 HydrophobicContact CG-CE1 4.32Å; L157-F211 HydrophobicContact CD1-CE1 4.08Å; L157-F211 HydrophobicContact CD1-CZ 4.19Å; L166-F211 HydrophobicContact CD1-CD1 4.46Å; L166-F211 HydrophobicContact CD1-CE1 3.69Å; W179-F211 AromaticContact CH2-CZ 3.97Å; W179-F211 HydrophobicContact CH2-CZ 3.97Å; W179-F211 HydrophobicContact CZ3-CZ 4.23Å; R193-F211 CarbonylContact C-O 3.57Å; R193-F211 WeakPolarHBondContact CA-O 3.43Å; F194-F211 HydrophobicContact CD1-CD2 4.03Å; F194-F211 PolarHBondContact N-O 3.01Å; F194-F211 PolarHBondContact O-N 3.36Å; F196-F211 HydrophobicContact CD1-CD2 4.5Å; F196-F211 AromaticContact CD1-CE2 3.83Å; F196-F211 HydrophobicContact CD1-CE2 3.83Å; F196-F211 HydrophobicContact CE1-CD2 4.25Å; F196-F211 AromaticContact CE1-CE2 3.25Å; F196-F211 HydrophobicContact CE1-CE2 3.25Å; F196-F211 AromaticContact CE1-CZ 3.8Å; F196-F211 HydrophobicContact CE1-CZ 3.8Å; F196-F211 HydrophobicContact CZ-CE2 4.01Å; F196-F211 HydrophobicContact CZ-CZ 4.25Å
212	Q	96.1	Very high	91.2	Very high	76 Å²	76	49.9 Å²	49.9	36%	0.355	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.8	167.1	176.7	175.6	-13.7	0	0	109.1	S36 F142 T192	S36-Q212 WeakPolarHBondContact CB-O 3.5Å; F142-Q212 HydrophobicContact CB-CB 4.21Å; F142-Q212 PolarHBondContact N-O 3.03Å; F142-Q212 PolarHBondContact O-N 2.73Å; T192-Q212 CarbonylContact O-C 3.56Å; T192-Q212 WeakPolarHBondContact O-CA 3.4Å
213	T	95.3	Very high	92.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	25%	0.25	C	S	.	.			trans	-169.6	147.4	-175.7	-179.5	0	0	0	0	110.8	N140 V141 T192 R193 F194 E215 I219	N140-T213 PolarHBondContact O-OG1 3.06Å; V141-T213 HydrophobicContact CG1-CG2 4.36Å; T192-T213 CarbonylContact C-O 3.55Å; T192-T213 VanDerWaalsContact CA-O 3.29Å; T192-T213 WeakPolarHBondContact CA-O 3.13Å; T192-T213 PolarHBondContact O-N 3.12Å; R193-T213 PolarHBondContact N-O 3.23Å; F194-T213 HydrophobicContact CB-CG2 4.24Å; T213-E215 VanDerWaalsContact C-N 3.3Å; T213-E215 PolarHBondContact OG1-N 3.44Å; T213-I219 HydrophobicContact CG2-CD1 3.7Å
214	Q	92	Very high	93.1	Very high	124 Å²	124	45.4 Å²	45.4	58%	0.579	23%	0.226	S	C	*	.	S	Bend	trans	-81.5	-12.8	169.8	-66	-174.2	-11.1	0	0	112.7	K37 G216	K37-Q214 PolarHBondContact O-NE2 3.34Å; Q214-G216 VanDerWaalsContact C-N 3.31Å; Q214-G216 PolarHBondContact O-N 3.42Å
215	E	93.8	Very high	93.8	Very high	69 Å²	69	48.2 Å²	48.2	32%	0.322	24%	0.244	S	C	.	.			trans	-96.1	19.9	-175.4	-59.5	-178.9	102.9	0	0	111.9	F139 T213 E217 Q218 I219	F139-E215 HydrophobicContact CD1-CB 3.73Å; F139-E215 HydrophobicContact CD1-CG 4.3Å; F139-E215 HydrophobicContact CE1-CB 4.21Å; T213-E215 VanDerWaalsContact C-N 3.3Å; T213-E215 PolarHBondContact OG1-N 3.44Å; E215-E217 VanDerWaalsContact C-N 3.28Å; E215-E217 PolarHBondContact O-N 3.11Å; E215-Q218 VanDerWaalsContact CA-OE1 3.31Å; E215-Q218 VanDerWaalsContact CB-OE1 3.23Å; E215-Q218 PolarHBondContact O-N 2.97Å; E215-Q218 VanDerWaalsContact O-N 3.07Å; E215-I219 HydrophobicContact CB-CD1 4.37Å; E215-I219 WeakPolarHBondContact O-CG1 3.28Å; E215-I219 PolarHBondContact O-N 3.43Å
216	G	94.6	Very high	94.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-36	-172.1	0	0	0	0	0	114	R189 Q214 Y220	R189-G216 WeakPolarHBondContact CB-O 3.14Å; Q214-G216 VanDerWaalsContact C-N 3.31Å; Q214-G216 PolarHBondContact O-N 3.42Å; G216-Y220 WeakPolarHBondContact O-CB 3.38Å; G216-Y220 PolarHBondContact O-N 3.45Å
217	E	95.1	Very high	94.8	Very high	70 Å²	70	43.8 Å²	43.8	33%	0.327	22%	0.219	S	C	.	.	H	α-helix	trans	-67.7	-44.2	175.2	-178	59	-155.1	0	0	112.3	R189 E215 I219 Y220 Q221	R189-E217 IonicContact CZ-OE2 3.43Å; R189-E217 VanDerWaalsContact CZ-OE2 3.29Å; R189-E217 IonicContact NE-OE2 2.73Å; R189-E217 PolarHBondContact NE-OE2 2.87Å; R189-E217 IonicContact NH2-OE1 3.49Å; R189-E217 IonicContact NH2-OE2 3.19Å; R189-E217 PolarHBondContact NH2-OE2 3.06Å; E215-E217 VanDerWaalsContact C-N 3.28Å; E215-E217 PolarHBondContact O-N 3.11Å; E217-I219 PolarHBondContact O-N 2.85Å; E217-Y220 PolarHBondContact O-N 2.71Å; E217-Q221 VanDerWaalsContact O-CG 3.31Å; E217-Q221 WeakPolarHBondContact O-CG 3.27Å; E217-Q221 PolarHBondContact O-N 3.07Å; E217-Q221 PolarHBondContact OE1-NE2 3.1Å
218	Q	94.8	Very high	94.8	Very high	88 Å²	88	45.5 Å²	45.5	41%	0.411	22%	0.224	S	C	.	.	H	α-helix	trans	-65.6	-41.5	178.3	-65.1	102.8	49.6	0	0	111.2	F139 E215 Q221 R222	F139-Q218 HydrophobicContact CE1-CB 3.81Å; F139-Q218 HydrophobicContact CZ-CB 4.11Å; E215-Q218 VanDerWaalsContact CA-OE1 3.31Å; E215-Q218 VanDerWaalsContact CB-OE1 3.23Å; E215-Q218 PolarHBondContact O-N 2.97Å; E215-Q218 VanDerWaalsContact O-N 3.07Å; Q218-Q221 PolarHBondContact O-N 3.13Å; Q218-R222 WeakPolarHBondContact O-CG 3.29Å; Q218-R222 PolarHBondContact O-N 2.89Å
219	I	96.6	Very high	94.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-48.3	175.5	-66.3	161.9	0	0	0	110.2	F139 V141 L157 I159 F194 T213 E215 E217 Q221 R222 V223	F139-I219 HydrophobicContact CB-CD1 3.88Å; F139-I219 HydrophobicContact CB-CG1 4.04Å; F139-I219 HydrophobicContact CD1-CD1 4.25Å; F139-I219 HydrophobicContact CD1-CG1 3.77Å; F139-I219 HydrophobicContact CD2-CD1 4.34Å; F139-I219 HydrophobicContact CD2-CG1 3.57Å; F139-I219 HydrophobicContact CE1-CG1 4.04Å; F139-I219 HydrophobicContact CE2-CG1 3.86Å; F139-I219 HydrophobicContact CG-CD1 3.9Å; F139-I219 HydrophobicContact CG-CG1 3.5Å; F139-I219 VanDerWaalsContact CG-CG1 3.5Å; F139-I219 HydrophobicContact CZ-CG1 4.06Å; V141-I219 HydrophobicContact CG1-CD1 3.98Å; L157-I219 HydrophobicContact CD2-CD1 4.15Å; L157-I219 HydrophobicContact CD2-CG1 4.36Å; L157-I219 HydrophobicContact CD2-CG2 3.64Å; I159-I219 HydrophobicContact CD1-CG2 4.09Å; F194-I219 HydrophobicContact CB-CG2 4.18Å; F194-I219 HydrophobicContact CD1-CG2 3.46Å; F194-I219 VanDerWaalsContact CD1-CG2 3.46Å; F194-I219 HydrophobicContact CD2-CB 4.34Å; F194-I219 HydrophobicContact CD2-CG2 3.73Å; F194-I219 HydrophobicContact CE1-CG2 3.64Å; F194-I219 HydrophobicContact CE2-CG2 3.94Å; F194-I219 HydrophobicContact CG-CB 4.24Å; F194-I219 HydrophobicContact CG-CG2 3.5Å; F194-I219 HydrophobicContact CZ-CG2 3.91Å; T213-I219 HydrophobicContact CG2-CD1 3.7Å; E215-I219 HydrophobicContact CB-CD1 4.37Å; E215-I219 WeakPolarHBondContact O-CG1 3.28Å; E215-I219 PolarHBondContact O-N 3.43Å; E217-I219 PolarHBondContact O-N 2.85Å; I219-Q221 VanDerWaalsContact C-N 3.34Å; I219-Q221 PolarHBondContact O-N 3.44Å; I219-R222 PolarHBondContact O-N 3.45Å; I219-V223 HydrophobicContact CG2-CG2 4.44Å; I219-V223 WeakPolarHBondContact O-CG2 3.22Å; I219-V223 PolarHBondContact O-N 2.89Å
220	Y	96.3	Very high	94.5	Very high	22 Å²	22	44.5 Å²	44.5	9%	0.086	23%	0.227	C	C	.	.	H	α-helix	trans	-56.4	-47.5	177.2	173.6	-92.2	0	0	0	111.8	Y187 R189 G216 E217 R222 V223 H224	Y187-Y220 AromaticContact CD2-CD2 3.72Å; Y187-Y220 HydrophobicContact CD2-CD2 3.72Å; Y187-Y220 AromaticContact CD2-CE2 3.56Å; Y187-Y220 HydrophobicContact CD2-CE2 3.56Å; Y187-Y220 HydrophobicContact CE2-CD2 4.08Å; Y187-Y220 AromaticContact CE2-CE2 3.62Å; Y187-Y220 HydrophobicContact CE2-CE2 3.62Å; R189-Y220 VanDerWaalsContact CD-CG 3.45Å; R189-Y220 HydrophobicContact CG-CD2 4.41Å; R189-Y220 HydrophobicContact CG-CG 4.07Å; G216-Y220 WeakPolarHBondContact O-CB 3.38Å; G216-Y220 PolarHBondContact O-N 3.45Å; E217-Y220 PolarHBondContact O-N 2.71Å; Y220-R222 VanDerWaalsContact C-N 3.34Å; Y220-R222 PolarHBondContact O-N 2.8Å; Y220-V223 PolarHBondContact O-N 3.25Å; Y220-H224 HydrophobicContact CE1-CB 4.26Å; Y220-H224 WeakPolarHBondContact O-CB 3.26Å; Y220-H224 PolarHBondContact O-N 3.46Å
221	Q	95	Very high	94	Very high	107 Å²	107	44 Å²	44	50%	0.5	23%	0.225	S	C	.	.	H	α-helix	trans	-60.8	-42.4	179.9	-72.3	173.5	3	0	0	112	E217 Q218 I219 H224 S225	E217-Q221 VanDerWaalsContact O-CG 3.31Å; E217-Q221 WeakPolarHBondContact O-CG 3.27Å; E217-Q221 PolarHBondContact O-N 3.07Å; E217-Q221 PolarHBondContact OE1-NE2 3.1Å; Q218-Q221 PolarHBondContact O-N 3.13Å; I219-Q221 VanDerWaalsContact C-N 3.34Å; I219-Q221 PolarHBondContact O-N 3.44Å; Q221-H224 PolarHBondContact O-N 2.82Å; Q221-S225 VanDerWaalsContact O-CB 3.29Å; Q221-S225 WeakPolarHBondContact O-CB 3.32Å; Q221-S225 PolarHBondContact O-N 2.93Å
222	R	95.6	Very high	93.7	Very high	86 Å²	86	47.1 Å²	47.1	33%	0.325	24%	0.24	S	C	.	.	H	α-helix	trans	-65.1	-46.8	177	-71	-167.9	-171.5	-173.8	-3.8	112.6	D137 F139 I159 Q218 I219 Y220 H224 S225 A226	D137-R222 VanDerWaalsContact CG-NH1 3.26Å; D137-R222 PolarHBondContact O-NH1 2.82Å; D137-R222 IonicContact OD1-CZ 3.46Å; D137-R222 IonicContact OD1-NH1 3.4Å; D137-R222 PolarHBondContact OD1-NH1 2.98Å; D137-R222 IonicContact OD1-NH2 2.74Å; D137-R222 PolarHBondContact OD1-NH2 2.82Å; D137-R222 IonicContact OD2-NH1 3.09Å; F139-R222 VanDerWaalsContact CE2-NH1 3.31Å; I159-R222 HydrophobicContact CB-CB 4.26Å; I159-R222 HydrophobicContact CG2-CB 4.19Å; Q218-R222 WeakPolarHBondContact O-CG 3.29Å; Q218-R222 PolarHBondContact O-N 2.89Å; I219-R222 PolarHBondContact O-N 3.45Å; Y220-R222 VanDerWaalsContact C-N 3.34Å; Y220-R222 PolarHBondContact O-N 2.8Å; R222-H224 VanDerWaalsContact C-N 3.33Å; R222-H224 PolarHBondContact O-N 2.8Å; R222-S225 PolarHBondContact O-N 3.49Å; R222-A226 WeakPolarHBondContact O-CB 3.11Å; R222-A226 PolarHBondContact O-N 2.65Å
223	V	96	Very high	93.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-46.8	176	173.1	0	0	0	0	110	I159 I164 L181 L184 Y187 F194 I219 Y220 S225 A226 T227	I159-V223 HydrophobicContact CG1-CG2 3.79Å; I159-V223 HydrophobicContact CG2-CG2 3.99Å; I164-V223 HydrophobicContact CD1-CG1 4.38Å; I164-V223 HydrophobicContact CD1-CG2 3.87Å; I164-V223 HydrophobicContact CG1-CG2 4.4Å; L181-V223 HydrophobicContact CD2-CG1 4.02Å; L184-V223 HydrophobicContact CD1-CG1 4.07Å; Y187-V223 HydrophobicContact CD1-CG1 3.98Å; Y187-V223 HydrophobicContact CD2-CG1 4.1Å; Y187-V223 HydrophobicContact CE1-CG1 4.18Å; Y187-V223 HydrophobicContact CE2-CG1 4.3Å; Y187-V223 HydrophobicContact CG-CG1 3.95Å; F194-V223 HydrophobicContact CE1-CG2 4.37Å; F194-V223 HydrophobicContact CE2-CG2 4.44Å; F194-V223 HydrophobicContact CZ-CB 4.26Å; F194-V223 HydrophobicContact CZ-CG1 4.41Å; F194-V223 HydrophobicContact CZ-CG2 3.76Å; I219-V223 HydrophobicContact CG2-CG2 4.44Å; I219-V223 WeakPolarHBondContact O-CG2 3.22Å; I219-V223 PolarHBondContact O-N 2.89Å; Y220-V223 PolarHBondContact O-N 3.25Å; V223-S225 PolarHBondContact O-N 3.02Å; V223-A226 PolarHBondContact O-N 2.88Å; V223-T227 WeakPolarHBondContact O-CB 3.37Å; V223-T227 PolarHBondContact O-N 2.81Å; V223-T227 PolarHBondContact O-OG1 3.41Å
224	H	94.9	Very high	92.7	Very high	50 Å²	50	52.3 Å²	52.3	23%	0.231	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-46.5	-179.1	-172.7	60	0	0	0	112.1	Y187 Y220 Q221 R222 T227 L228	Y187-H224 HydrophobicContact CE2-CB 3.98Å; Y187-H224 AromaticContact CE2-ND1 3.92Å; Y187-H224 AromaticContact CZ-ND1 3.84Å; Y187-H224 PolarHBondContact OH-ND1 2.9Å; Y220-H224 HydrophobicContact CE1-CB 4.26Å; Y220-H224 WeakPolarHBondContact O-CB 3.26Å; Y220-H224 PolarHBondContact O-N 3.46Å; Q221-H224 PolarHBondContact O-N 2.82Å; R222-H224 VanDerWaalsContact C-N 3.33Å; R222-H224 PolarHBondContact O-N 2.8Å; H224-T227 PolarHBondContact O-N 3.08Å; H224-L228 WeakPolarHBondContact NE2-CD1 3.31Å; H224-L228 WeakPolarHBondContact O-CB 3.42Å; H224-L228 WeakPolarHBondContact O-CG 3.48Å; H224-L228 PolarHBondContact O-N 2.97Å
225	S	93.6	Very high	92.4	Very high	77 Å²	77	51.6 Å²	51.6	54%	0.538	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-46	177.9	-172	0	0	0	0	112.4	Q221 R222 V223 L228 A229	Q221-S225 VanDerWaalsContact O-CB 3.29Å; Q221-S225 WeakPolarHBondContact O-CB 3.32Å; Q221-S225 PolarHBondContact O-N 2.93Å; R222-S225 PolarHBondContact O-N 3.49Å; V223-S225 PolarHBondContact O-N 3.02Å; S225-L228 WeakPolarHBondContact O-CB 3.35Å; S225-L228 PolarHBondContact O-N 3.39Å; S225-A229 PolarHBondContact O-N 2.76Å
226	A	94.8	Very high	92.1	Very high	12 Å²	12	55.2 Å²	55.2	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-42	179.1	0	0	0	0	0	111.6	L181 R222 V223 L228 A229 I230	L181-A226 HydrophobicContact CD1-CB 3.49Å; L181-A226 VanDerWaalsContact CD1-CB 3.49Å; R222-A226 WeakPolarHBondContact O-CB 3.11Å; R222-A226 PolarHBondContact O-N 2.65Å; V223-A226 PolarHBondContact O-N 2.88Å; A226-L228 PolarHBondContact O-N 2.94Å; A226-A229 PolarHBondContact O-N 3.25Å; A226-I230 WeakPolarHBondContact O-CG1 3.48Å; A226-I230 PolarHBondContact O-N 2.86Å
227	T	93.1	Very high	91.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.6	-47.9	173.8	-63.2	0	0	0	0	111.1	Y187 V223 H224 A229 I230 A231 W271 I274	Y187-T227 HydrophobicContact CE1-CG2 3.9Å; V223-T227 WeakPolarHBondContact O-CB 3.37Å; V223-T227 PolarHBondContact O-N 2.81Å; V223-T227 PolarHBondContact O-OG1 3.41Å; H224-T227 PolarHBondContact O-N 3.08Å; T227-A229 PolarHBondContact O-N 2.88Å; T227-I230 PolarHBondContact O-N 3.33Å; T227-A231 PolarHBondContact O-N 2.85Å; T227-A231 VanDerWaalsContact O-N 3.08Å; T227-W271 HydrophobicContact CG2-CE3 4.13Å; T227-W271 HydrophobicContact CG2-CH2 3.04Å; T227-W271 HydrophobicContact CG2-CZ2 3.66Å; T227-W271 HydrophobicContact CG2-CZ3 3.27Å; T227-W271 WeakPolarHBondContact O-CZ3 3.34Å; T227-I274 HydrophobicContact CG2-CD1 4.18Å
228	L	91.1	Very high	91.1	Very high	53 Å²	53	58.8 Å²	58.8	28%	0.277	29%	0.293	S	S	.	.	H	α-helix	trans	-58	-44.7	175.2	-91.5	165.6	0	0	0	112.6	H224 S225 A226 I230 A231 E232 I274	H224-L228 WeakPolarHBondContact NE2-CD1 3.31Å; H224-L228 WeakPolarHBondContact O-CB 3.42Å; H224-L228 WeakPolarHBondContact O-CG 3.48Å; H224-L228 PolarHBondContact O-N 2.97Å; S225-L228 WeakPolarHBondContact O-CB 3.35Å; S225-L228 PolarHBondContact O-N 3.39Å; A226-L228 PolarHBondContact O-N 2.94Å; L228-I230 PolarHBondContact O-N 2.91Å; L228-A231 PolarHBondContact O-N 3.48Å; L228-E232 PolarHBondContact O-N 2.92Å; L228-I274 HydrophobicContact CD1-CG2 4.36Å; L228-I274 HydrophobicContact CD2-CG2 3.13Å; L228-I274 HydrophobicContact CG-CG2 3.45Å; L228-I274 VanDerWaalsContact CG-CG2 3.45Å
229	A	92.4	Very high	90.7	Very high	56 Å²	56	59.2 Å²	59.2	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-42.9	179	0	0	0	0	0	112	S225 A226 T227 A231 E232 Q233	S225-A229 PolarHBondContact O-N 2.76Å; A226-A229 PolarHBondContact O-N 3.25Å; T227-A229 PolarHBondContact O-N 2.88Å; A229-A231 PolarHBondContact O-N 3.48Å; A229-E232 PolarHBondContact O-N 3.24Å; A229-Q233 WeakPolarHBondContact O-CB 3.36Å; A229-Q233 PolarHBondContact O-N 3.13Å
230	I	91.1	Very high	90.2	Very high	17 Å²	17	65 Å²	65	9%	0.087	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-46	174.8	-65.8	164.7	0	0	0	110.7	H161 L181 A226 T227 L228 E232 Q233 H234	H161-I230 WeakPolarHBondContact O-CD1 3.25Å; L181-I230 HydrophobicContact CB-CD1 3.47Å; L181-I230 VanDerWaalsContact CB-CD1 3.47Å; L181-I230 HydrophobicContact CD1-CD1 3.84Å; L181-I230 HydrophobicContact CG-CD1 4.32Å; A226-I230 WeakPolarHBondContact O-CG1 3.48Å; A226-I230 PolarHBondContact O-N 2.86Å; T227-I230 PolarHBondContact O-N 3.33Å; L228-I230 PolarHBondContact O-N 2.91Å; I230-E232 PolarHBondContact O-N 2.67Å; I230-Q233 PolarHBondContact O-N 3.33Å; I230-H234 WeakPolarHBondContact O-CB 3.44Å; I230-H234 PolarHBondContact O-CD2 3.49Å; I230-H234 VanDerWaalsContact O-CD2 3.31Å; I230-H234 PolarHBondContact O-N 3.18Å
231	A	85.9	Confident	89.6	Confident	14 Å²	14	68.1 Å²	68.1	12%	0.116	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-44	179.5	0	0	0	0	0	112.5	T227 L228 A229 H234 K235 W271 T275	T227-A231 PolarHBondContact O-N 2.85Å; T227-A231 VanDerWaalsContact O-N 3.08Å; L228-A231 PolarHBondContact O-N 3.48Å; A229-A231 PolarHBondContact O-N 3.48Å; A231-H234 PolarHBondContact O-N 2.95Å; A231-K235 WeakPolarHBondContact O-CB 3.41Å; A231-K235 PolarHBondContact O-N 2.93Å; A231-W271 HydrophobicContact CB-CE3 3.88Å; A231-W271 HydrophobicContact CB-CZ3 3.79Å; A231-T275 HydrophobicContact CB-CG2 3.81Å
232	E	89.3	Confident	89	Confident	66 Å²	66	67.9 Å²	67.9	31%	0.308	34%	0.34	S	S	.	.	H	α-helix	trans	-65.9	-41.3	179.5	178.3	55.5	-158.4	0	0	111.5	L228 A229 I230 K235 R236	L228-E232 PolarHBondContact O-N 2.92Å; A229-E232 PolarHBondContact O-N 3.24Å; I230-E232 PolarHBondContact O-N 2.67Å; E232-K235 PolarHBondContact O-N 2.83Å; E232-R236 WeakPolarHBondContact O-CG 3.38Å; E232-R236 PolarHBondContact O-N 2.93Å; E232-R236 IonicContact OE1-CZ 3.12Å; E232-R236 IonicContact OE1-NE 2.75Å; E232-R236 PolarHBondContact OE1-NE 2.9Å; E232-R236 IonicContact OE1-NH2 3.71Å; E232-R236 PolarHBondContact OE1-NH2 3.03Å; E232-R236 VanDerWaalsContact OE1-NH2 3.09Å
233	Q	87.8	Confident	88.5	Confident	124 Å²	124	70.6 Å²	70.6	58%	0.579	35%	0.354	S	S	*	.	H	α-helix	trans	-62	-45.6	174	-176.3	177.2	-8.4	0	0	111.6	A229 I230 K235 R236 V237	A229-Q233 WeakPolarHBondContact O-CB 3.36Å; A229-Q233 PolarHBondContact O-N 3.13Å; I230-Q233 PolarHBondContact O-N 3.33Å; Q233-K235 VanDerWaalsContact C-N 3.32Å; Q233-K235 PolarHBondContact O-N 3.12Å; Q233-R236 PolarHBondContact O-N 2.86Å; Q233-V237 WeakPolarHBondContact O-CG2 3.36Å; Q233-V237 PolarHBondContact O-N 3.31Å
234	H	82.7	Confident	87.8	Confident	63 Å²	63	74.8 Å²	74.8	29%	0.292	38%	0.377	S	S	.	.	H	α-helix	trans	-60.5	-41.5	176.8	-74.9	-164.1	0	0	0	111.8	I230 A231 V237 L238 L265	I230-H234 WeakPolarHBondContact O-CB 3.44Å; I230-H234 PolarHBondContact O-CD2 3.49Å; I230-H234 VanDerWaalsContact O-CD2 3.31Å; I230-H234 PolarHBondContact O-N 3.18Å; A231-H234 PolarHBondContact O-N 2.95Å; H234-V237 PolarHBondContact O-N 3.5Å; H234-L238 WeakPolarHBondContact O-CG 3.45Å; H234-L238 PolarHBondContact O-N 2.65Å; H234-L265 HydrophobicContact CB-CD2 4.35Å
235	K	85.4	Confident	87.1	Confident	110 Å²	110	76.3 Å²	76.3	48%	0.478	39%	0.389	S	S	.	.	H	α-helix	trans	-61.4	-43.9	176.3	-176.1	-178.2	177.9	-175.1	0	111.9	A231 E232 Q233 L238 L239	A231-K235 WeakPolarHBondContact O-CB 3.41Å; A231-K235 PolarHBondContact O-N 2.93Å; E232-K235 PolarHBondContact O-N 2.83Å; Q233-K235 VanDerWaalsContact C-N 3.32Å; Q233-K235 PolarHBondContact O-N 3.12Å; K235-L238 PolarHBondContact O-N 2.98Å; K235-L239 HydrophobicContact CG-CD1 4.23Å; K235-L239 WeakPolarHBondContact O-CG 3.24Å; K235-L239 PolarHBondContact O-N 3.18Å
236	R	87	Confident	86.2	Confident	145 Å²	145	81.1 Å²	81.1	55%	0.547	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-47	176.7	-70.4	175.6	-166.2	174.7	3.6	111.9	E232 Q233 L238 L239 E240	E232-R236 WeakPolarHBondContact O-CG 3.38Å; E232-R236 PolarHBondContact O-N 2.93Å; E232-R236 IonicContact OE1-CZ 3.12Å; E232-R236 IonicContact OE1-NE 2.75Å; E232-R236 PolarHBondContact OE1-NE 2.9Å; E232-R236 IonicContact OE1-NH2 3.71Å; E232-R236 PolarHBondContact OE1-NH2 3.03Å; E232-R236 VanDerWaalsContact OE1-NH2 3.09Å; Q233-R236 PolarHBondContact O-N 2.86Å; R236-L238 VanDerWaalsContact C-N 3.32Å; R236-L238 PolarHBondContact O-N 2.84Å; R236-L239 PolarHBondContact O-N 3.44Å; R236-E240 WeakPolarHBondContact O-CG 3.44Å; R236-E240 PolarHBondContact O-N 2.9Å
237	V	86.2	Confident	85.3	Confident	77 Å²	77	85.4 Å²	85.4	47%	0.467	42%	0.417	S	S	.	.	H	α-helix	trans	-60.8	-41.3	178.1	172.7	0	0	0	0	111.4	Q233 H234 E240 M241	Q233-V237 WeakPolarHBondContact O-CG2 3.36Å; Q233-V237 PolarHBondContact O-N 3.31Å; H234-V237 PolarHBondContact O-N 3.5Å; V237-E240 PolarHBondContact O-N 3.37Å; V237-M241 WeakPolarHBondContact O-CB 3.39Å; V237-M241 PolarHBondContact O-N 3.35Å
238	L	83.5	Confident	84.1	Confident	67 Å²	67	92.2 Å²	92.2	35%	0.351	45%	0.452	S	S	.	.	H	α-helix	trans	-62.3	-45.9	175.5	-74.7	171.6	0	0	0	112	H234 K235 R236 E240 M241 E242	H234-L238 WeakPolarHBondContact O-CG 3.45Å; H234-L238 PolarHBondContact O-N 2.65Å; K235-L238 PolarHBondContact O-N 2.98Å; R236-L238 VanDerWaalsContact C-N 3.32Å; R236-L238 PolarHBondContact O-N 2.84Å; L238-E240 PolarHBondContact O-N 3.24Å; L238-M241 HydrophobicContact CD2-CE 4.21Å; L238-M241 PolarHBondContact O-N 3.26Å; L238-E242 WeakPolarHBondContact O-CG 3.46Å; L238-E242 PolarHBondContact O-N 3.05Å
239	L	86.2	Confident	82.6	Confident	97 Å²	97	94.5 Å²	94.5	51%	0.508	46%	0.464	S	S	.	.	H	α-helix	trans	-64	-39.4	177.9	-70.9	170.1	0	0	0	112.5	K235 R236 K243	K235-L239 HydrophobicContact CG-CD1 4.23Å; K235-L239 WeakPolarHBondContact O-CG 3.24Å; K235-L239 PolarHBondContact O-N 3.18Å; R236-L239 PolarHBondContact O-N 3.44Å; L239-K243 WeakPolarHBondContact O-CB 3.45Å; L239-K243 PolarHBondContact O-N 2.92Å
240	E	86.6	Confident	81	Confident	121 Å²	121	100.5 Å²	100.5	57%	0.565	48%	0.48	S	S	*	.	H	α-helix	trans	-64.7	-42.2	174.2	-74.2	176.4	177.1	0	0	111.6	R236 V237 L238 K243 N244	R236-E240 WeakPolarHBondContact O-CG 3.44Å; R236-E240 PolarHBondContact O-N 2.9Å; V237-E240 PolarHBondContact O-N 3.37Å; L238-E240 PolarHBondContact O-N 3.24Å; E240-K243 PolarHBondContact O-N 3.45Å; E240-N244 WeakPolarHBondContact O-CB 3.37Å; E240-N244 PolarHBondContact O-N 2.85Å; E240-N244 PolarHBondContact O-ND2 2.98Å
241	M	83.8	Confident	79.2	Confident	89 Å²	89	103 Å²	103	44%	0.438	51%	0.51	S	S	.	.	H	α-helix	trans	-65.1	-43.4	177.1	-172.7	155.3	65.7	0	0	111.8	V237 L238 K243 N244 V245	V237-M241 WeakPolarHBondContact O-CB 3.39Å; V237-M241 PolarHBondContact O-N 3.35Å; L238-M241 HydrophobicContact CD2-CE 4.21Å; L238-M241 PolarHBondContact O-N 3.26Å; M241-K243 VanDerWaalsContact C-N 3.32Å; M241-K243 PolarHBondContact O-N 2.88Å; M241-N244 PolarHBondContact O-N 3.24Å; M241-V245 WeakPolarHBondContact O-CG2 3.38Å; M241-V245 PolarHBondContact O-N 3.38Å
242	E	82.6	Confident	77.4	Confident	102 Å²	102	107.9 Å²	107.9	48%	0.477	54%	0.538	S	S	.	.	H	α-helix	trans	-59.8	-41.5	173.7	-75.1	-179.7	-177.5	0	0	112.2	L238 R246	L238-E242 WeakPolarHBondContact O-CG 3.46Å; L238-E242 PolarHBondContact O-N 3.05Å; E242-R246 VanDerWaalsContact O-CG 3.31Å; E242-R246 WeakPolarHBondContact O-CG 3.39Å; E242-R246 PolarHBondContact O-N 2.79Å; E242-R246 VanDerWaalsContact O-N 3.07Å
243	K	83.8	Confident	74.9	Confident	142 Å²	142	112.7 Å²	112.7	62%	0.617	56%	0.561	S	S	*	*	H	α-helix	trans	-63.3	-43	175.5	-174.2	-178.5	177.3	-175.5	0	111.5	L239 E240 M241 R246 L247	L239-K243 WeakPolarHBondContact O-CB 3.45Å; L239-K243 PolarHBondContact O-N 2.92Å; E240-K243 PolarHBondContact O-N 3.45Å; M241-K243 VanDerWaalsContact C-N 3.32Å; M241-K243 PolarHBondContact O-N 2.88Å; K243-R246 PolarHBondContact O-N 2.72Å; K243-L247 HydrophobicContact CG-CD1 4.35Å; K243-L247 WeakPolarHBondContact O-CG 3.3Å; K243-L247 PolarHBondContact O-N 3.31Å
244	N	81.6	Confident	72.9	Confident	89 Å²	89	113.9 Å²	113.9	48%	0.476	57%	0.566	S	S	.	*	H	α-helix	trans	-66.4	-41.3	179	-70.4	-17.4	0	0	0	112.2	E240 M241 R246 L247 L248	E240-N244 WeakPolarHBondContact O-CB 3.37Å; E240-N244 PolarHBondContact O-N 2.85Å; E240-N244 PolarHBondContact O-ND2 2.98Å; M241-N244 PolarHBondContact O-N 3.24Å; N244-R246 PolarHBondContact O-N 2.8Å; N244-L247 PolarHBondContact O-N 2.99Å; N244-L248 WeakPolarHBondContact O-CD1 3.38Å; N244-L248 PolarHBondContact O-N 2.79Å
245	V	79.8	Confident	70.7	Confident	81 Å²	81	120.8 Å²	120.8	49%	0.491	59%	0.591	S	S	.	*	H	α-helix	trans	-62.4	-42	175	171.8	0	0	0	0	111.2	M241 L247 L248 N249	M241-V245 WeakPolarHBondContact O-CG2 3.38Å; M241-V245 PolarHBondContact O-N 3.38Å; V245-L247 VanDerWaalsContact C-N 3.29Å; V245-L247 PolarHBondContact O-N 3.08Å; V245-L248 PolarHBondContact O-N 2.95Å; V245-N249 WeakPolarHBondContact O-CB 3.17Å; V245-N249 PolarHBondContact O-N 2.89Å
246	R	76.3	Confident	68.7	Low	179 Å²	179	120.5 Å²	120.5	68%	0.675	60%	0.603	S	S	*	*	H	α-helix	trans	-65.5	-30.2	175.7	-70.8	176.5	-169.6	-171.4	6.6	113.1	E242 K243 N244	E242-R246 VanDerWaalsContact O-CG 3.31Å; E242-R246 WeakPolarHBondContact O-CG 3.39Å; E242-R246 PolarHBondContact O-N 2.79Å; E242-R246 VanDerWaalsContact O-N 3.07Å; K243-R246 PolarHBondContact O-N 2.72Å; N244-R246 PolarHBondContact O-N 2.8Å
247	L	74.7	Confident	66.6	Low	102 Å²	102	123.7 Å²	123.7	53%	0.534	62%	0.617	S	S	.	*	H	α-helix	trans	-74.2	-39.6	175.4	-73	167.6	0	0	0	111.9	K243 N244 V245	K243-L247 HydrophobicContact CG-CD1 4.35Å; K243-L247 WeakPolarHBondContact O-CG 3.3Å; K243-L247 PolarHBondContact O-N 3.31Å; N244-L247 PolarHBondContact O-N 2.99Å; V245-L247 VanDerWaalsContact C-N 3.29Å; V245-L247 PolarHBondContact O-N 3.08Å
248	L	67.6	Low	64.7	Low	143 Å²	143	125.6 Å²	125.6	75%	0.749	63%	0.631	S	S	*	*	H	α-helix	trans	-70.5	-33.6	175.4	-93.6	96.4	0	0	0	113.1	N244 V245 K250	N244-L248 WeakPolarHBondContact O-CD1 3.38Å; N244-L248 PolarHBondContact O-N 2.79Å; V245-L248 PolarHBondContact O-N 2.95Å; L248-K250 VanDerWaalsContact C-N 3.28Å; L248-K250 PolarHBondContact O-N 2.86Å
249	N	60.9	Low	62.6	Low	100 Å²	100	128.2 Å²	128.2	54%	0.535	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-82.3	4.8	-179.1	-84.3	19.9	0	0	0	114.8	V245 G251	V245-N249 WeakPolarHBondContact O-CB 3.17Å; V245-N249 PolarHBondContact O-N 2.89Å; N249-G251 PolarHBondContact O-N 3.02Å; N249-G251 VanDerWaalsContact O-N 3.11Å
250	K	57.9	Low	60.6	Low	182 Å²	182	128.3 Å²	128.3	79%	0.791	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-73.6	9.2	176.8	-95.7	-174.7	176.1	-172.2	0	115	L248	L248-K250 VanDerWaalsContact C-N 3.28Å; L248-K250 PolarHBondContact O-N 2.86Å
251	G	54	Low	58.7	Low	69 Å²	69	126.9 Å²	126.9	71%	0.711	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-135.2	1.5	-175.8	0	0	0	0	0	117.6	N249	N249-G251 PolarHBondContact O-N 3.02Å; N249-G251 VanDerWaalsContact O-N 3.11Å
252	T	48.1	Very low	56.7	Low	117 Å²	117	127.6 Å²	127.6	72%	0.718	67%	0.669	S	S	*	*			trans	-145.2	111.2	-177.7	-22.5	0	0	0	0	110.8
253	E	37.1	Very low	54.8	Low	168 Å²	168	127.7 Å²	127.7	79%	0.785	68%	0.676	S	S	*	*			trans	-63.6	153.1	160.7	-62.5	-157.6	154.3	0	0	109.4
254	H	45	Very low	53.1	Low	148 Å²	148	127 Å²	127	69%	0.685	68%	0.677	S	S	*	*	S	Bend	trans	103.1	111.9	171.9	-70.3	-101.5	0	0	0	118.6
255	Y	36.6	Very low	51.6	Low	209 Å²	209	127.6 Å²	127.6	82%	0.82	68%	0.68	S	S	*	*			trans	41.5	94.7	145.9	-64.6	-92.3	0	0	0	118.4
256	S	42.7	Very low	50.2	Low	104 Å²	104	124.7 Å²	124.7	73%	0.727	66%	0.662	S	S	*	*			trans	-127.6	113.2	162.2	-61.9	0	0	0	0	109.9
257	Y	42.8	Very low	48.9	Very low	211 Å²	211	127.1 Å²	127.1	83%	0.827	67%	0.672	S	S	*	*			trans	-53.1	144.5	170.5	-76.2	-96.3	0	0	0	110.5	C259	Y257-C259 VanDerWaalsContact C-N 3.33Å; Y257-C259 PolarHBondContact O-N 3.33Å
258	P	46.8	Very low	47.8	Very low	118 Å²	118	123.3 Å²	123.3	77%	0.766	65%	0.653	S	S	*	*			trans	-69.5	93.7	175	28.5	-30.9	0	0	0	108.7	T260	P258-T260 VanDerWaalsContact C-N 3.31Å; P258-T260 PolarHBondContact O-N 2.87Å
259	C	40.7	Very low	46.8	Very low	122 Å²	122	120.2 Å²	120.2	82%	0.824	65%	0.648	S	S	*	*			trans	-67.4	98.2	161.6	-170.1	0	0	0	0	106.3	Y257 P261	Y257-C259 VanDerWaalsContact C-N 3.33Å; Y257-C259 PolarHBondContact O-N 3.33Å; C259-P261 WeakPolarHBondContact O-CD 3.08Å
260	T	43.4	Very low	46.3	Very low	98 Å²	98	117 Å²	117	60%	0.601	63%	0.629	S	S	*	*			trans	-55.8	122	175.3	44.5	0	0	0	0	108.6	P258 T262	P258-T260 VanDerWaalsContact C-N 3.31Å; P258-T260 PolarHBondContact O-N 2.87Å; T260-T262 PolarHBondContact O-N 2.9Å; T260-T262 PolarHBondContact O-OG1 3.47Å; T260-T262 PolarHBondContact OG1-OG1 2.66Å
261	P	45.5	Very low	46	Very low	91 Å²	91	109.6 Å²	109.6	59%	0.591	60%	0.596	S	S	*	*			trans	-67.7	91.1	170.6	20.7	-18.1	0	0	0	106.9	C259 T263	C259-P261 WeakPolarHBondContact O-CD 3.08Å; P261-T263 PolarHBondContact O-N 2.86Å
262	T	41.9	Very low	45.8	Very low	104 Å²	104	113.2 Å²	113.2	64%	0.638	59%	0.594	S	S	*	*			trans	-79.8	66.4	175.6	-53.6	0	0	0	0	106.8	T260	T260-T262 PolarHBondContact O-N 2.9Å; T260-T262 PolarHBondContact O-OG1 3.47Å; T260-T262 PolarHBondContact OG1-OG1 2.66Å
263	T	43.9	Very low	45.9	Very low	104 Å²	104	110.9 Å²	110.9	64%	0.638	58%	0.575	S	S	*	*			trans	-137.2	100.8	173.2	59.7	0	0	0	0	110.6	P261 L265	P261-T263 PolarHBondContact O-N 2.86Å; T263-L265 PolarHBondContact O-N 2.98Å
264	M	46.9	Very low	46.6	Very low	127 Å²	127	103.6 Å²	103.6	63%	0.626	54%	0.541	S	S	*	.			trans	71.4	17.9	133.5	-54.5	-72.3	-76.6	0	0	120	M201	M201-M264 HydrophobicContact CE-SD 4.49Å
265	L	51.4	Low	46.8	Very low	103 Å²	103	99.4 Å²	99.4	54%	0.539	53%	0.526	S	S	.	.			trans	-67.6	133.8	160	-68.2	176.5	0	0	0	108.9	H234 T263 R267	H234-L265 HydrophobicContact CB-CD2 4.35Å; T263-L265 PolarHBondContact O-N 2.98Å; L265-R267 PolarHBondContact O-N 2.89Å
266	P	49	Very low	47.1	Very low	20 Å²	20	91.9 Å²	91.9	13%	0.13	51%	0.512	C	S	.	.			trans	-54.8	114.4	165.8	8.7	-17.4	0	0	0	108.8	C182 S268 W271	C182-P266 WeakPolarHBondContact O-CB 3.46Å; C182-P266 WeakPolarHBondContact O-CG 3.26Å; P266-S268 PolarHBondContact O-N 2.87Å; P266-W271 HydrophobicContact CB-CD2 4.39Å; P266-W271 HydrophobicContact CB-CG 4.46Å; P266-W271 HydrophobicContact CB-CZ2 3.8Å; P266-W271 HydrophobicContact CG-CD2 3.73Å; P266-W271 HydrophobicContact CG-CE3 4.4Å; P266-W271 HydrophobicContact CG-CG 4.12Å; P266-W271 HydrophobicContact CG-CH2 3.85Å; P266-W271 HydrophobicContact CG-CZ2 3.22Å; P266-W271 HydrophobicContact CG-CZ3 4.42Å; P266-W271 VanDerWaalsContact CG-NE1 3.33Å
267	R	49.7	Very low	47.3	Very low	230 Å²	230	91.5 Å²	91.5	87%	0.868	51%	0.509	S	S	*	.			trans	-65.4	11.4	-175.5	-71	-174.4	167.1	117.6	-5.1	114.6	L265	L265-R267 PolarHBondContact O-N 2.89Å
268	S	51.9	Low	47.3	Very low	21 Å²	21	89.3 Å²	89.3	15%	0.147	51%	0.507	C	S	.	.			trans	-77.8	129.3	-178.2	158.8	0	0	0	0	110.2	R185 P266 Y270 W271	R185-S268 VanDerWaalsContact O-CB 3.25Å; R185-S268 WeakPolarHBondContact O-CB 3.19Å; R185-S268 PolarHBondContact O-OG 2.84Å; P266-S268 PolarHBondContact O-N 2.87Å; S268-Y270 PolarHBondContact O-N 2.85Å; S268-Y270 WeakPolarHBondContact OG-CB 3.24Å; S268-Y270 PolarHBondContact OG-N 2.94Å; S268-Y270 VanDerWaalsContact OG-N 3.15Å; S268-W271 PolarHBondContact O-N 3.21Å
269	A	47.1	Very low	46.8	Very low	78 Å²	78	91 Å²	91	65%	0.645	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-16.2	173	0	0	0	0	0	113.1
270	Y	49.2	Very low	46.6	Very low	34 Å²	34	93.1 Å²	93.1	13%	0.133	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-26.9	-178.3	-176	-118	0	0	0	114.2	Y187 S268 H272 H273 I274 I307	Y187-Y270 HydrophobicContact CE1-CE1 4.46Å; S268-Y270 PolarHBondContact O-N 2.85Å; S268-Y270 WeakPolarHBondContact OG-CB 3.24Å; S268-Y270 PolarHBondContact OG-N 2.94Å; S268-Y270 VanDerWaalsContact OG-N 3.15Å; Y270-H272 PolarHBondContact O-N 2.79Å; Y270-H272 VanDerWaalsContact O-N 3.16Å; Y270-H273 HydrophobicContact CD2-CB 4.42Å; Y270-H273 PolarHBondContact O-N 3.34Å; Y270-I274 HydrophobicContact CD1-CD1 3.46Å; Y270-I274 VanDerWaalsContact CD1-CD1 3.46Å; Y270-I274 HydrophobicContact CD1-CG1 3.89Å; Y270-I274 HydrophobicContact CE1-CD1 3.19Å; Y270-I274 HydrophobicContact CE1-CG1 3.43Å; Y270-I274 VanDerWaalsContact CE1-CG1 3.43Å; Y270-I274 HydrophobicContact CE2-CG1 4.38Å; Y270-I274 HydrophobicContact CG-CD1 4.43Å; Y270-I274 PolarHBondContact O-N 3.27Å; Y270-I307 HydrophobicContact CE2-CB 4.17Å; Y270-I307 HydrophobicContact CE2-CD1 4.36Å; Y270-I307 HydrophobicContact CE2-CG2 3.86Å; Y270-I307 WeakPolarHBondContact OH-CD1 3.2Å
271	W	51.5	Low	45.9	Very low	26 Å²	26	92.7 Å²	92.7	10%	0.098	52%	0.517	C	S	.	.	H	α-helix	trans	-62.6	-27.7	-176.4	-72.3	92.6	0	0	0	113.6	T227 A231 P266 S268 H273 I274 T275	T227-W271 HydrophobicContact CG2-CE3 4.13Å; T227-W271 HydrophobicContact CG2-CH2 3.04Å; T227-W271 HydrophobicContact CG2-CZ2 3.66Å; T227-W271 HydrophobicContact CG2-CZ3 3.27Å; T227-W271 WeakPolarHBondContact O-CZ3 3.34Å; A231-W271 HydrophobicContact CB-CE3 3.88Å; A231-W271 HydrophobicContact CB-CZ3 3.79Å; P266-W271 HydrophobicContact CB-CD2 4.39Å; P266-W271 HydrophobicContact CB-CG 4.46Å; P266-W271 HydrophobicContact CB-CZ2 3.8Å; P266-W271 HydrophobicContact CG-CD2 3.73Å; P266-W271 HydrophobicContact CG-CE3 4.4Å; P266-W271 HydrophobicContact CG-CG 4.12Å; P266-W271 HydrophobicContact CG-CH2 3.85Å; P266-W271 HydrophobicContact CG-CZ2 3.22Å; P266-W271 HydrophobicContact CG-CZ3 4.42Å; P266-W271 VanDerWaalsContact CG-NE1 3.33Å; S268-W271 PolarHBondContact O-N 3.21Å; W271-H273 VanDerWaalsContact C-N 3.32Å; W271-H273 PolarHBondContact O-N 2.99Å; W271-I274 HydrophobicContact CD2-CD1 4.45Å; W271-I274 HydrophobicContact CE3-CD1 4.27Å; W271-T275 PolarHBondContact O-N 3.42Å; W271-T275 PolarHBondContact O-OG1 3.11Å
272	H	51.5	Low	45.2	Very low	145 Å²	145	97.7 Å²	97.7	67%	0.671	53%	0.532	S	S	*	.	H	α-helix	trans	-65.7	-32.6	173.2	-65.4	-66.6	0	0	0	112.8	Y270 G276	Y270-H272 PolarHBondContact O-N 2.79Å; Y270-H272 VanDerWaalsContact O-N 3.16Å; H272-G276 PolarHBondContact O-N 3.28Å
273	H	50	Low	44.7	Very low	68 Å²	68	96.9 Å²	96.9	32%	0.315	54%	0.537	S	S	.	.	H	α-helix	trans	-77.7	-32.5	179.3	-66.5	-72.3	0	0	0	112.8	Y270 W271 S277 L309	Y270-H273 HydrophobicContact CD2-CB 4.42Å; Y270-H273 PolarHBondContact O-N 3.34Å; W271-H273 VanDerWaalsContact C-N 3.32Å; W271-H273 PolarHBondContact O-N 2.99Å; H273-S277 PolarHBondContact O-OG 2.93Å; H273-L309 HydrophobicContact CB-CD1 4.45Å
274	I	50.3	Low	44.2	Very low	15 Å²	15	97 Å²	97	8%	0.077	54%	0.541	C	S	.	.	H	α-helix	trans	-68.4	-43.6	178.7	-62.2	172	0	0	0	110.9	T227 L228 Y270 W271	T227-I274 HydrophobicContact CG2-CD1 4.18Å; L228-I274 HydrophobicContact CD1-CG2 4.36Å; L228-I274 HydrophobicContact CD2-CG2 3.13Å; L228-I274 HydrophobicContact CG-CG2 3.45Å; L228-I274 VanDerWaalsContact CG-CG2 3.45Å; Y270-I274 HydrophobicContact CD1-CD1 3.46Å; Y270-I274 VanDerWaalsContact CD1-CD1 3.46Å; Y270-I274 HydrophobicContact CD1-CG1 3.89Å; Y270-I274 HydrophobicContact CE1-CD1 3.19Å; Y270-I274 HydrophobicContact CE1-CG1 3.43Å; Y270-I274 VanDerWaalsContact CE1-CG1 3.43Å; Y270-I274 HydrophobicContact CE2-CG1 4.38Å; Y270-I274 HydrophobicContact CG-CD1 4.43Å; Y270-I274 PolarHBondContact O-N 3.27Å; W271-I274 HydrophobicContact CD2-CD1 4.45Å; W271-I274 HydrophobicContact CE3-CD1 4.27Å
275	T	50.4	Low	43.4	Very low	59 Å²	59	95.7 Å²	95.7	36%	0.362	55%	0.545	S	S	.	.	H	α-helix	trans	-84	-23	-178.9	53	0	0	0	0	113.5	A231 W271	A231-T275 HydrophobicContact CB-CG2 3.81Å; W271-T275 PolarHBondContact O-N 3.42Å; W271-T275 PolarHBondContact O-OG1 3.11Å
276	G	41.7	Very low	42.4	Very low	51 Å²	51	101.6 Å²	101.6	53%	0.526	56%	0.561	S	S	.	*	H	α-helix	trans	-83.2	-9.2	-175.8	0	0	0	0	0	116.1	H272 Q278	H272-G276 PolarHBondContact O-N 3.28Å; G276-Q278 VanDerWaalsContact C-N 3.34Å; G276-Q278 PolarHBondContact O-N 2.87Å
277	S	48.1	Very low	41.8	Very low	96 Å²	96	105.7 Å²	105.7	67%	0.671	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	4.2	-171.7	-59	0	0	0	0	115	H273	H273-S277 PolarHBondContact O-OG 2.93Å
278	Q	42.6	Very low	41	Very low	166 Å²	166	98.2 Å²	98.2	78%	0.776	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	12.8	-178.7	-76.3	-176.1	-10	0	0	115.2	G276	G276-Q278 VanDerWaalsContact C-N 3.34Å; G276-Q278 PolarHBondContact O-N 2.87Å
279	N	35.9	Very low	40	Very low	152 Å²	152	107 Å²	107	81%	0.813	63%	0.63	S	S	*	*	S	Bend	trans	-136	28.9	-176	-90.9	-39.4	0	0	0	115.9
280	I	36.6	Very low	39.4	Very low	168 Å²	168	107 Å²	107	86%	0.862	64%	0.637	S	S	*	*			trans	-123.2	66.5	169.7	-51.8	178.7	0	0	0	109.1
281	A	29.3	Very low	38.4	Very low	88 Å²	88	117.2 Å²	117.2	73%	0.727	68%	0.678	S	S	*	*			trans	-114.3	137.8	150.1	0	0	0	0	0	105.5
282	E	29.5	Very low	37.5	Very low	196 Å²	196	119.7 Å²	119.7	92%	0.916	71%	0.711	S	S	*	*	S	Bend	trans	79.6	79.4	176.4	-52.3	-178.1	166.1	0	0	116.8
283	A	33	Very low	36.6	Very low	88 Å²	88	117.6 Å²	117.6	73%	0.727	72%	0.719	S	S	*	*			trans	-172.2	113.4	136.9	0	0	0	0	0	112
284	S	32.8	Very low	35.6	Very low	105 Å²	105	118.8 Å²	118.8	73%	0.734	74%	0.74	S	S	*	*			trans	46.8	102.2	142.7	59.9	0	0	0	0	119
285	S	30.4	Very low	34.7	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	78%	0.779	S	S	*	*				84.1	125	72.6	76.3	0	0	0	0	115.9
286	Y	30.7	Very low	33.8	Very low	228 Å²	228	128.5 Å²	128.5	89%	0.894	80%	0.796	S	S	*	*			trans	86.7	131.7	151.2	-83.6	-80.9	0	0	0	122.7
287	A	35.3	Very low	33.2	Very low	106 Å²	106	131.7 Å²	131.7	88%	0.876	81%	0.81	S	S	*	*			trans	78.6	130.2	163.1	0	0	0	0	0	116.8
288	G	32.6	Very low	32.5	Very low	72 Å²	72	130.4 Å²	130.4	74%	0.742	80%	0.801	S	S	*	*			cis	161.3	122.6	6.5	0	0	0	0	0	107.9
289	E	32.5	Very low	32.2	Very low	206 Å²	206	131.9 Å²	131.9	96%	0.963	81%	0.808	S	S	*	*			trans	37.9	138.2	152.5	-61.4	-175.7	140	0	0	123.7
290	G	32.8	Very low	32.3	Very low	78 Å²	78	129.8 Å²	129.8	80%	0.804	80%	0.801	S	S	*	*			trans	164.9	90.5	156.3	0	0	0	0	0	114.9
291	Y	30.2	Very low	32.3	Very low	249 Å²	249	126.4 Å²	126.4	98%	0.976	79%	0.785	S	S	*	*			trans	-67.4	151.9	174.3	-84.9	-99.6	0	0	0	113.6
292	G	32.5	Very low	32.8	Very low	77 Å²	77	129.6 Å²	129.6	79%	0.794	79%	0.788	S	S	*	*			trans	172.2	86.2	163.9	0	0	0	0	0	117.9
293	A	31.5	Very low	33.3	Very low	101 Å²	101	126.5 Å²	126.5	84%	0.835	78%	0.777	S	S	*	*			trans	23.1	121.9	148.9	0	0	0	0	0	123.8
294	A	29.7	Very low	33.5	Very low	93 Å²	93	127.8 Å²	127.8	77%	0.769	77%	0.772	S	S	*	*				36.3	121.3	127	0	0	0	0	0	122.2
295	Q	31.2	Very low	33.8	Very low	193 Å²	193	133.4 Å²	133.4	90%	0.902	78%	0.777	S	S	*	*				-172.1	133.7	125.6	-110	173.2	-14.6	0	0	114.4
296	A	31.7	Very low	34.3	Very low	85 Å²	85	131.1 Å²	131.1	70%	0.702	76%	0.755	S	S	*	*			trans	50.2	108.8	139.3	0	0	0	0	0	122.2
297	S	27.9	Very low	34.8	Very low	118 Å²	118	124.2 Å²	124.2	83%	0.825	73%	0.733	S	S	*	*			trans	37.4	113.3	131.2	65.6	0	0	0	0	120.4
298	S	34.3	Very low	34.8	Very low	70 Å²	70	124.5 Å²	124.5	49%	0.49	72%	0.719	S	S	.	*			trans	-150.1	133.5	135.8	72.2	0	0	0	0	110.4	T300 D301	S298-T300 PolarHBondContact O-N 2.79Å; S298-T300 PolarHBondContact OG-OG1 3.48Å; S298-T300 VanDerWaalsContact OG-OG1 3.04Å; S298-D301 PolarHBondContact O-N 3Å
299	E	35.9	Very low	34.9	Very low	197 Å²	197	126.2 Å²	126.2	92%	0.921	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	7.7	179.9	-80.3	-179.4	113.9	0	0	114.3
300	T	37.9	Very low	34.9	Very low	107 Å²	107	124.8 Å²	124.8	66%	0.656	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-6.5	179.8	31.5	0	0	0	0	114.4	S298	S298-T300 PolarHBondContact O-N 2.79Å; S298-T300 PolarHBondContact OG-OG1 3.48Å; S298-T300 VanDerWaalsContact OG-OG1 3.04Å
301	D	37.3	Very low	35	Very low	98 Å²	98	126.5 Å²	126.5	52%	0.524	70%	0.698	S	S	.	*	G	3₁₀ helix	trans	-87.3	-5.3	-178	-96.8	-33.4	0	0	0	115.5	S298 L303 N304	S298-D301 PolarHBondContact O-N 3Å; D301-L303 PolarHBondContact O-N 3.35Å; D301-N304 PolarHBondContact O-N 3.21Å; D301-N304 PolarHBondContact OD1-ND2 3.16Å
302	L	40.2	Very low	35.3	Very low	154 Å²	154	123.9 Å²	123.9	81%	0.806	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-73.4	-16.6	179.7	-65	179.9	0	0	0	113.4
303	L	39.5	Very low	35.6	Very low	131 Å²	131	125.9 Å²	125.9	69%	0.686	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-83.3	-11.9	172	-72.8	170.4	0	0	0	113.3	D301 R305 F306	D301-L303 PolarHBondContact O-N 3.35Å; L303-R305 VanDerWaalsContact C-N 3.3Å; L303-R305 PolarHBondContact O-N 3.37Å; L303-F306 HydrophobicContact CD2-CE2 4.27Å; L303-F306 WeakPolarHBondContact O-CD2 3.38Å
304	N	36.8	Very low	35.9	Very low	115 Å²	115	126.7 Å²	126.7	62%	0.615	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-86.2	0.8	-179.8	-75.9	-29	0	0	0	113.6	D301	D301-N304 PolarHBondContact O-N 3.21Å; D301-N304 PolarHBondContact OD1-ND2 3.16Å
305	R	39.9	Very low	36.5	Very low	223 Å²	223	131.7 Å²	131.7	84%	0.842	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-89.6	4	175.2	-123.3	-178	-175.7	-176.2	1.7	114.5	L303	L303-R305 VanDerWaalsContact C-N 3.3Å; L303-R305 PolarHBondContact O-N 3.37Å
306	F	39.4	Very low	36.8	Very low	53 Å²	53	126.1 Å²	126.1	23%	0.232	69%	0.692	C	S	.	*	S	Bend	trans	-64.9	132.4	158.1	-77.6	-82.7	0	0	0	107.8	R186 T195 L303 L308	R186-F306 HydrophobicContact CG-CD1 4.46Å; R186-F306 HydrophobicContact CG-CE1 4.48Å; T195-F306 HydrophobicContact CG2-CZ 4.24Å; L303-F306 HydrophobicContact CD2-CE2 4.27Å; L303-F306 WeakPolarHBondContact O-CD2 3.38Å; F306-L308 VanDerWaalsContact C-N 3.27Å; F306-L308 PolarHBondContact O-N 3.17Å
307	I	42.4	Very low	37	Very low	83 Å²	83	130.2 Å²	130.2	43%	0.426	70%	0.702	S	S	.	*			trans	-57.5	93.5	177.4	-60.6	169.3	0	0	0	108.3	Y270 L309	Y270-I307 HydrophobicContact CE2-CB 4.17Å; Y270-I307 HydrophobicContact CE2-CD1 4.36Å; Y270-I307 HydrophobicContact CE2-CG2 3.86Å; Y270-I307 WeakPolarHBondContact OH-CD1 3.2Å; I307-L309 HydrophobicContact CG2-CD1 4.35Å; I307-L309 HydrophobicContact CG2-CG 4.15Å
308	L	35.8	Very low	37.7	Very low	111 Å²	111	130.3 Å²	130.3	58%	0.581	70%	0.703	S	S	*	*			trans	-107.1	75.4	177.4	-155.5	99.6	0	0	0	107.1	F306 K310	F306-L308 VanDerWaalsContact C-N 3.27Å; F306-L308 PolarHBondContact O-N 3.17Å; L308-K310 HydrophobicContact CD2-CD 4.38Å; L308-K310 HydrophobicContact CD2-CG 3.92Å; L308-K310 PolarHBondContact O-N 2.98Å; L308-K310 VanDerWaalsContact O-N 3.12Å
309	L	34.1	Very low	38.1	Very low	109 Å²	109	131.9 Å²	131.9	57%	0.571	71%	0.714	S	S	*	*			trans	-76.7	92.8	165.6	-67.7	174	0	0	0	107.3	H273 I307 P311	H273-L309 HydrophobicContact CB-CD1 4.45Å; I307-L309 HydrophobicContact CG2-CD1 4.35Å; I307-L309 HydrophobicContact CG2-CG 4.15Å; L309-P311 WeakPolarHBondContact O-CD 3.09Å
310	K	32.7	Very low	38.3	Very low	175 Å²	175	131.5 Å²	131.5	76%	0.761	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-66.9	127	167.4	-75	-171.7	176.7	178.8	0	108.9	L308	L308-K310 HydrophobicContact CD2-CD 4.38Å; L308-K310 HydrophobicContact CD2-CG 3.92Å; L308-K310 PolarHBondContact O-N 2.98Å; L308-K310 VanDerWaalsContact O-N 3.12Å
311	P	34.1	Very low	38.4	Very low	114 Å²	114	130.6 Å²	130.6	74%	0.74	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-72.3	135	166	-7.8	24.5	0	0	0	109.6	L309	L309-P311 WeakPolarHBondContact O-CD 3.09Å
312	K	35.8	Very low	38.8	Very low	195 Å²	195	135.3 Å²	135.3	85%	0.848	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-70.5	135.3	175.5	-172.8	173.8	-178.3	171.1	0	109.9	S314	K312-S314 PolarHBondContact O-N 3.47Å
313	P	39.6	Very low	39.4	Very low	119 Å²	119	134.5 Å²	134.5	77%	0.773	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-74.3	120.9	172.5	28.6	-30.3	0	0	0	109.7
314	S	39	Very low	39.5	Very low	118 Å²	118	133.4 Å²	133.4	83%	0.825	73%	0.734	S	S	*	*			trans	-83.1	113.8	169	53.9	0	0	0	0	109.5	K312	K312-S314 PolarHBondContact O-N 3.47Å
315	Q	40.5	Very low	40.2	Very low	198 Å²	198	133.8 Å²	133.8	93%	0.925	75%	0.745	S	S	*	*			trans	-64.1	125.6	159.1	-77.4	-178.9	-32.9	0	0	108.4
316	G	37.7	Very low	40.6	Very low	76 Å²	76	136.3 Å²	136.3	78%	0.784	77%	0.766	S	S	*	*			trans	-104.2	103.7	168.2	0	0	0	0	0	109.1
317	D	35.8	Very low	40.6	Very low	170 Å²	170	140.5 Å²	140.5	91%	0.909	79%	0.793	S	S	*	*			trans	-98.5	122.9	151.8	-96.9	-25.6	0	0	0	106.8
318	S	42.6	Very low	40.6	Very low	120 Å²	120	143.5 Å²	143.5	84%	0.839	81%	0.812	S	S	*	*			trans	-156.7	115.1	152.7	59.9	0	0	0	0	109.8
319	S	42.7	Very low	40.8	Very low	103 Å²	103	145.3 Å²	145.3	72%	0.72	83%	0.825	S	S	*	*			trans	-74.5	167.3	175.4	44.4	0	0	0	0	114
320	E	40.1	Very low	41.2	Very low	189 Å²	189	147.4 Å²	147.4	88%	0.883	84%	0.84	S	S	*	*			trans	74.8	135	162.8	-65.3	179	128.7	0	0	116.6
321	A	41.5	Very low	41.8	Very low	88 Å²	88	145.7 Å²	145.7	73%	0.727	85%	0.845	S	S	*	*			cis	-170.8	166.3	42.1	0	0	0	0	0	113.5
322	K	44.7	Very low	42.3	Very low	197 Å²	197	147.8 Å²	147.8	86%	0.857	85%	0.852	S	S	*	*			trans	80	124.2	160.3	-73.3	173.9	174.8	177	0	116.1
323	T	53.1	Low	42.7	Very low	137 Å²	137	144.4 Å²	144.4	84%	0.84	85%	0.853	S	S	*	*				-160.9	154.2	65.2	-9.5	0	0	0	0	112.2
324	P	42	Very low	43	Very low	109 Å²	109	146.4 Å²	146.4	71%	0.708	86%	0.859	S	S	*	*			trans	-101.5	172.6	172.5	37.8	-27.8	0	0	0	113.8
325	S	51.7	Low	43.3	Very low	123 Å²	123	148.8 Å²	148.8	86%	0.86	86%	0.861	S	S	*	*			trans	81.1	129.3	-180	72.1	0	0	0	0	114.7
326	Q	47.3	Very low	43.6	Very low	275 Å²	275	144.3 Å²	144.3	100%	1.285	86%	0.856	S	S	*	*			cis	-119.4	0	20.9	-78.8	175.8	-25.4	0	0	114.2

Retrieved 326 of 326 residues in 59.9 ms (Link to these results)

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