A0A077YYH2_TRITR Loading...

Rab GDP dissociation inhibitor

Regulates the GDP/GTP exchange reaction of most RAB proteins by inhibiting the dissociation of GDP from them, and the subsequent binding of GTP.

AlphaFold DB , UniProt , Accession A0A077YYH2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 443 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.8	Low	86.9	Confident	112 Å²	112	52.4 Å²	52.4	55%	0.552	26%	0.259	S	S	*	.				0	25.3	0	-110	-179.6	-85.1	0	0	112	E3 E273 V275	M1-E3 PolarHBondContact O-N 2.58Å; M1-E273 HydrophobicContact CE-CG 4.32Å; M1-E273 VanDerWaalsContact CE-OE1 3.24Å; M1-E273 WeakPolarHBondContact CE-OE1 3.48Å; M1-E273 VanDerWaalsContact CE-OE2 3.22Å; M1-E273 WeakPolarHBondContact CE-OE2 3.38Å; M1-V275 HydrophobicContact SD-CG2 3.68Å
2	D	49.6	Very low	87.6	Confident	175 Å²	175	48 Å²	48	94%	0.936	24%	0.238	S	C	*	.			trans	-76	12.2	179.3	-69.1	-38.1	0	0	0	114.3
3	E	76.9	Confident	88.1	Confident	120 Å²	120	44.5 Å²	44.5	56%	0.561	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-94.1	128.2	177.8	-63.9	-173.2	154.1	0	0	110.1	M1 K29	M1-E3 PolarHBondContact O-N 2.58Å; E3-K29 VanDerWaalsContact CD-NZ 3.29Å; E3-K29 IonicContact OE1-NZ 3.4Å; E3-K29 IonicContact OE2-NZ 3.61Å; E3-K29 PolarHBondContact OE2-NZ 3.37Å
4	E	93.9	Very high	88.4	Confident	113 Å²	113	41.5 Å²	41.5	53%	0.528	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-79.5	129	172.9	-174.2	175.6	-157.1	0	0	109.9	K276	E4-K276 HydrophobicContact CB-CB 4.41Å; E4-K276 HydrophobicContact CG-CB 4.23Å
5	Y	97	Very high	88.9	Confident	18 Å²	18	38.9 Å²	38.9	7%	0.071	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	149.5	174.1	-71.3	-93.5	0	0	0	110.6	K29 L31 V275 K276 C277 K278	Y5-K29 HydrophobicContact CD1-CD 4.18Å; Y5-K29 HydrophobicContact CD1-CG 3.78Å; Y5-K29 HydrophobicContact CE1-CD 4.46Å; Y5-K29 HydrophobicContact CE1-CG 4.17Å; Y5-L31 HydrophobicContact CD1-CB 3.62Å; Y5-L31 HydrophobicContact CD2-CB 4.25Å; Y5-L31 HydrophobicContact CD2-CD2 4.44Å; Y5-L31 HydrophobicContact CE1-CB 3.6Å; Y5-L31 HydrophobicContact CE2-CB 4.21Å; Y5-L31 HydrophobicContact CE2-CD2 4.08Å; Y5-L31 HydrophobicContact CG-CB 3.96Å; Y5-V275 HydrophobicContact CD2-CG1 3.45Å; Y5-V275 VanDerWaalsContact CD2-CG1 3.45Å; Y5-V275 HydrophobicContact CE2-CG1 3.69Å; Y5-K276 PolarHBondContact N-O 3.47Å; Y5-C277 WeakPolarHBondContact O-CA 3.4Å; Y5-K278 PolarHBondContact O-N 3.13Å
6	D	97.3	Very high	89.3	Confident	38 Å²	38	36.8 Å²	36.8	20%	0.203	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-41.8	169.6	-65.9	-53	0	0	0	110	K28 K29 K278 Q279	D6-K28 HydrophobicContact CB-CB 4.18Å; D6-K28 HydrophobicContact CB-CD 4.18Å; D6-K29 PolarHBondContact N-O 3.24Å; D6-K29 PolarHBondContact OD2-N 3.31Å; D6-K278 IonicContact OD1-NZ 3.48Å; D6-K278 PolarHBondContact OD1-NZ 3.38Å; D6-Q279 PolarHBondContact O-N 2.96Å; D6-Q279 VanDerWaalsContact O-N 3.15Å
7	C	97.8	Very high	89.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.7	-175.2	-50.3	0	0	0	0	110.9	L23 K29 V30 L31 Q279 Y281	C7-L23 HydrophobicContact CB-CD1 4.21Å; C7-K29 PolarHBondContact N-O 3.18Å; C7-V30 HydrophobicContact CB-CG2 4.39Å; C7-V30 WeakPolarHBondContact O-CA 3.4Å; C7-L31 PolarHBondContact O-N 2.93Å; C7-Q279 WeakPolarHBondContact CA-O 3.4Å; C7-Y281 HydrophobicContact CB-CD2 4.23Å; C7-Y281 HydrophobicContact CB-CE2 3.93Å
8	V	98.2	Very high	89.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.9	164.2	172.8	0	0	0	0	108.7	L10 L31 I33 V268 V275 C277 Q279 V280 Y281	V8-L10 HydrophobicContact CG1-CD2 3.53Å; V8-L10 HydrophobicContact CG1-CG 4.28Å; V8-L31 CarbonylContact C-O 3.53Å; V8-L31 VanDerWaalsContact CA-O 3.23Å; V8-L31 WeakPolarHBondContact CA-O 2.96Å; V8-L31 HydrophobicContact CG2-CB 4.19Å; V8-L31 HydrophobicContact CG2-CD2 4.44Å; V8-I33 HydrophobicContact CG1-CD1 4.22Å; V8-V268 HydrophobicContact CB-CG2 4.19Å; V8-V268 HydrophobicContact CG1-CB 4.35Å; V8-V268 HydrophobicContact CG1-CG2 3.75Å; V8-V275 HydrophobicContact CG2-CG1 4.31Å; V8-C277 HydrophobicContact CB-CB 4.27Å; V8-C277 HydrophobicContact CG2-CB 3.5Å; V8-C277 VanDerWaalsContact CG2-SG 3.58Å; V8-Q279 PolarHBondContact N-O 2.98Å; V8-V280 HydrophobicContact CB-CG2 4.18Å; V8-V280 CarbonylContact O-C 3.5Å; V8-V280 VanDerWaalsContact O-CA 3.26Å; V8-V280 WeakPolarHBondContact O-CA 3.47Å; V8-Y281 PolarHBondContact O-N 3.07Å
9	I	98.3	Very high	90.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.9	176.4	-43.4	-61.9	0	0	0	108.1	E16 L23 V30 L31 H32 I33 Y281	I9-E16 HydrophobicContact CG2-CB 3.73Å; I9-E16 HydrophobicContact CG2-CG 4.29Å; I9-L23 HydrophobicContact CD1-CD1 3.74Å; I9-V30 HydrophobicContact CD1-CG1 4.4Å; I9-V30 HydrophobicContact CG1-CG1 3.66Å; I9-L31 PolarHBondContact N-O 3.14Å; I9-H32 HydrophobicContact CB-CB 4.29Å; I9-H32 CarbonylContact O-C 3.58Å; I9-H32 WeakPolarHBondContact O-CA 3.43Å; I9-I33 PolarHBondContact O-N 3.19Å; I9-Y281 CarbonylContact C-O 3.55Å; I9-Y281 VanDerWaalsContact CA-O 3.28Å; I9-Y281 WeakPolarHBondContact CA-O 3.27Å; I9-Y281 HydrophobicContact CD1-CD2 3.54Å; I9-Y281 HydrophobicContact CD1-CE2 4.47Å; I9-Y281 HydrophobicContact CD1-CG 3.75Å
10	L	98.2	Very high	90.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121	179.4	-48	177.9	0	0	0	110.9	V8 I33 V255 I258 V268 V280 Y281 C282 D283 Y286	V8-L10 HydrophobicContact CG1-CD2 3.53Å; V8-L10 HydrophobicContact CG1-CG 4.28Å; L10-I33 CarbonylContact C-O 3.5Å; L10-I33 WeakPolarHBondContact CA-O 3.47Å; L10-I33 HydrophobicContact CD2-CB 3.96Å; L10-I33 HydrophobicContact CD2-CD1 4.32Å; L10-V255 HydrophobicContact CD1-CG1 4.12Å; L10-V255 HydrophobicContact CD2-CG2 4.02Å; L10-I258 HydrophobicContact CD1-CD1 3.98Å; L10-I258 HydrophobicContact CD1-CG1 3.83Å; L10-V268 HydrophobicContact CD1-CG1 4.34Å; L10-V268 HydrophobicContact CD1-CG2 4.31Å; L10-V268 HydrophobicContact CD2-CG1 4.05Å; L10-V268 HydrophobicContact CD2-CG2 4.33Å; L10-V280 HydrophobicContact CD1-CG1 3.93Å; L10-V280 HydrophobicContact CG-CG1 4.16Å; L10-Y281 PolarHBondContact N-O 3.3Å; L10-C282 HydrophobicContact CB-CB 3.71Å; L10-C282 HydrophobicContact CD1-CB 4.39Å; L10-C282 HydrophobicContact CG-CB 4.32Å; L10-C282 VanDerWaalsContact O-CA 3.26Å; L10-C282 WeakPolarHBondContact O-CA 3.44Å; L10-C282 WeakPolarHBondContact O-CB 3.48Å; L10-D283 PolarHBondContact O-N 3.06Å; L10-Y286 HydrophobicContact CB-CD1 3.74Å; L10-Y286 HydrophobicContact CB-CD2 3.83Å; L10-Y286 HydrophobicContact CB-CE1 3.99Å; L10-Y286 HydrophobicContact CB-CE2 4.08Å; L10-Y286 HydrophobicContact CB-CG 3.64Å; L10-Y286 HydrophobicContact CD1-CD1 4Å; L10-Y286 HydrophobicContact CD1-CG 4.18Å; L10-Y286 HydrophobicContact CG-CD1 4.45Å
11	G	97	Very high	90.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.			trans	91.6	138.3	-174.7	0	0	0	0	0	112	E16 H32 I33 Y286	G11-E16 WeakPolarHBondContact O-CB 3.23Å; G11-E16 WeakPolarHBondContact O-CG 3.07Å; G11-H32 PolarHBondContact O-NE2 3.14Å; G11-I33 PolarHBondContact N-O 2.84Å; G11-Y286 VanDerWaalsContact CA-CE2 3.47Å; G11-Y286 VanDerWaalsContact N-CE2 3.35Å
12	T	95	Very high	92.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.			trans	-104	32.1	-177.5	57.8	0	0	0	0	112.6	H32 D34 Y39 G40 L251	T12-H32 VanDerWaalsContact CG2-NE2 3.34Å; T12-H32 WeakPolarHBondContact CG2-NE2 3.27Å; T12-D34 VanDerWaalsContact CB-OD2 3.3Å; T12-D34 WeakPolarHBondContact CB-OD2 3.22Å; T12-D34 HydrophobicContact CG2-CB 3.78Å; T12-D34 PolarHBondContact N-OD2 2.69Å; T12-D34 PolarHBondContact OG1-OD2 3.4Å; T12-Y39 HydrophobicContact CG2-CD1 3.82Å; T12-Y39 HydrophobicContact CG2-CE1 4.18Å; T12-Y39 VanDerWaalsContact OG1-CA 3.31Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.31Å; T12-G40 WeakPolarHBondContact O-CA 3.24Å; T12-G40 PolarHBondContact O-N 2.84Å; T12-G40 PolarHBondContact OG1-N 3.37Å; T12-L251 HydrophobicContact CG2-CD2 3.92Å
13	G	94	Very high	94.4	Very high	3 Å²	3	14.6 Å²	14.6	3%	0.031	7%	0.07	C	C	.	.			trans	-57.6	162.1	169.1	0	0	0	0	0	111.5	T15 E16 C17	G13-T15 PolarHBondContact O-N 2.92Å; G13-E16 VanDerWaalsContact CA-OE2 3.24Å; G13-E16 WeakPolarHBondContact CA-OE2 3.46Å; G13-E16 PolarHBondContact N-OE2 3.21Å; G13-E16 PolarHBondContact O-N 3.1Å; G13-C17 WeakPolarHBondContact O-CB 3.32Å; G13-C17 PolarHBondContact O-N 2.97Å
14	L	92.9	Very high	95.1	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.01	4%	0.043	C	C	.	.	H	α-helix	trans	-52.2	-41.3	177.3	-74	165.4	0	0	0	111.7	I18 S43 L234 P235 Y404 F410	L14-I18 WeakPolarHBondContact O-CB 3.41Å; L14-I18 WeakPolarHBondContact O-CD1 3.42Å; L14-I18 WeakPolarHBondContact O-CG1 3.4Å; L14-I18 PolarHBondContact O-N 3.32Å; L14-I18 VanDerWaalsContact O-N 3.07Å; L14-S43 PolarHBondContact N-OG 3Å; L14-L234 HydrophobicContact CD2-CB 3.65Å; L14-L234 HydrophobicContact CD2-CD1 3.93Å; L14-L234 HydrophobicContact CD2-CG 4.45Å; L14-P235 HydrophobicContact CD2-CG 3.89Å; L14-P235 HydrophobicContact CG-CG 4.43Å; L14-Y404 HydrophobicContact CB-CE1 4.34Å; L14-Y404 PolarHBondContact N-OH 3.38Å; L14-F410 HydrophobicContact CD1-CE1 3.96Å; L14-F410 HydrophobicContact CD1-CZ 3.9Å; L14-F410 HydrophobicContact CD2-CZ 4.41Å
15	T	95.1	Very high	94.8	Very high	2 Å²	2	5 Å²	5	1%	0.012	3%	0.027	C	C	.	.	H	α-helix	trans	-66.5	-51.5	-176.7	-54.3	0	0	0	0	110.3	G13 C17 I18 V19 Y404 V417 I420	G13-T15 PolarHBondContact O-N 2.92Å; T15-C17 PolarHBondContact O-N 3.15Å; T15-I18 PolarHBondContact O-N 3.33Å; T15-V19 WeakPolarHBondContact O-CG2 3.23Å; T15-V19 PolarHBondContact O-N 3.29Å; T15-Y404 PolarHBondContact N-OH 2.94Å; T15-Y404 WeakPolarHBondContact OG1-CE1 3.35Å; T15-Y404 PolarHBondContact OG1-OH 3.23Å; T15-Y404 VanDerWaalsContact OG1-OH 3.13Å; T15-V417 HydrophobicContact CG2-CG2 3.77Å; T15-I420 HydrophobicContact CG2-CD1 3.75Å
16	E	96.4	Very high	94.5	Very high	6 Å²	6	6.5 Å²	6.5	3%	0.028	4%	0.04	C	C	.	.	H	α-helix	trans	-64.2	-41.4	-177.6	-68.1	64.3	-127.3	0	0	111.5	I9 G11 G13 V19 S20 D283 S401	I9-E16 HydrophobicContact CG2-CB 3.73Å; I9-E16 HydrophobicContact CG2-CG 4.29Å; G11-E16 WeakPolarHBondContact O-CB 3.23Å; G11-E16 WeakPolarHBondContact O-CG 3.07Å; G13-E16 VanDerWaalsContact CA-OE2 3.24Å; G13-E16 WeakPolarHBondContact CA-OE2 3.46Å; G13-E16 PolarHBondContact N-OE2 3.21Å; G13-E16 PolarHBondContact O-N 3.1Å; E16-V19 PolarHBondContact O-N 2.84Å; E16-S20 WeakPolarHBondContact O-CB 3.24Å; E16-S20 PolarHBondContact O-N 3.39Å; E16-D283 HydrophobicContact CG-CB 4.48Å; E16-S401 WeakPolarHBondContact OE1-CB 3.03Å; E16-S401 PolarHBondContact OE1-OG 3.44Å
17	C	94.5	Very high	94.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.5	-42.8	175.7	-78.4	0	0	0	0	112.1	G13 T15 S20 G21 P235 F238	G13-C17 WeakPolarHBondContact O-CB 3.32Å; G13-C17 PolarHBondContact O-N 2.97Å; T15-C17 PolarHBondContact O-N 3.15Å; C17-S20 WeakPolarHBondContact O-CB 3.27Å; C17-S20 PolarHBondContact O-N 2.85Å; C17-G21 PolarHBondContact O-N 2.96Å; C17-P235 HydrophobicContact CB-CB 4.18Å; C17-F238 HydrophobicContact CB-CB 4.05Å; C17-F238 WeakPolarHBondContact O-CB 3.35Å
18	I	93	Very high	94	Very high	1 Å²	1	11 Å²	11	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-63.6	-47.3	176.9	-63.4	160.3	0	0	0	110.3	L14 T15 S20 G21 M22 L87 L90 F238 V417	L14-I18 WeakPolarHBondContact O-CB 3.41Å; L14-I18 WeakPolarHBondContact O-CD1 3.42Å; L14-I18 WeakPolarHBondContact O-CG1 3.4Å; L14-I18 PolarHBondContact O-N 3.32Å; L14-I18 VanDerWaalsContact O-N 3.07Å; T15-I18 PolarHBondContact O-N 3.33Å; I18-S20 VanDerWaalsContact C-N 3.33Å; I18-S20 PolarHBondContact O-N 3.35Å; I18-G21 PolarHBondContact O-N 3.08Å; I18-G21 VanDerWaalsContact O-N 3.16Å; I18-M22 HydrophobicContact CG2-CG 4.43Å; I18-M22 HydrophobicContact CG2-SD 3.84Å; I18-M22 WeakPolarHBondContact O-CG 3.3Å; I18-M22 PolarHBondContact O-N 3.38Å; I18-L87 HydrophobicContact CD1-CD1 3.86Å; I18-L87 HydrophobicContact CG1-CD1 4.29Å; I18-L90 HydrophobicContact CG2-CD2 3.55Å; I18-F238 HydrophobicContact CB-CE2 4.37Å; I18-F238 HydrophobicContact CB-CZ 4.35Å; I18-F238 HydrophobicContact CD1-CE2 4.45Å; I18-F238 HydrophobicContact CG1-CD2 3.76Å; I18-F238 HydrophobicContact CG1-CE1 4.43Å; I18-F238 HydrophobicContact CG1-CE2 3.46Å; I18-F238 VanDerWaalsContact CG1-CE2 3.46Å; I18-F238 HydrophobicContact CG1-CG 4.38Å; I18-F238 HydrophobicContact CG1-CZ 3.83Å; I18-F238 HydrophobicContact CG2-CE1 4.2Å; I18-F238 HydrophobicContact CG2-CZ 4.07Å; I18-V417 HydrophobicContact CB-CG1 4.17Å; I18-V417 HydrophobicContact CB-CG2 4.04Å; I18-V417 HydrophobicContact CD1-CG2 4.11Å; I18-V417 HydrophobicContact CG2-CB 4.49Å; I18-V417 HydrophobicContact CG2-CG1 3.5Å; I18-V417 HydrophobicContact CG2-CG2 4.16Å
19	V	95	Very high	93.8	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-59.1	-44.7	176.7	170.2	0	0	0	0	110.9	T15 E16 G21 M22 L23 Y281 V417 I420	T15-V19 WeakPolarHBondContact O-CG2 3.23Å; T15-V19 PolarHBondContact O-N 3.29Å; E16-V19 PolarHBondContact O-N 2.84Å; V19-G21 VanDerWaalsContact C-N 3.32Å; V19-G21 PolarHBondContact O-N 3.25Å; V19-M22 PolarHBondContact O-N 3.2Å; V19-L23 HydrophobicContact CG1-CD1 3.69Å; V19-L23 HydrophobicContact CG1-CG 4.23Å; V19-L23 WeakPolarHBondContact O-CB 3.32Å; V19-L23 VanDerWaalsContact O-CG 3.3Å; V19-L23 WeakPolarHBondContact O-CG 3.48Å; V19-L23 PolarHBondContact O-N 2.91Å; V19-Y281 HydrophobicContact CG1-CD1 3.79Å; V19-Y281 HydrophobicContact CG1-CE1 4.18Å; V19-Y281 HydrophobicContact CG1-CG 4.25Å; V19-V417 HydrophobicContact CG2-CB 4.45Å; V19-V417 HydrophobicContact CG2-CG1 4.12Å; V19-V417 HydrophobicContact CG2-CG2 4.45Å; V19-I420 HydrophobicContact CG1-CG2 4.18Å; V19-I420 HydrophobicContact CG2-CB 4.33Å; V19-I420 HydrophobicContact CG2-CG2 4.03Å
20	S	95.1	Very high	93.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.2	-45.4	175	-177.4	0	0	0	0	112	E16 C17 I18 S24 H32 S242 Y249	E16-S20 WeakPolarHBondContact O-CB 3.24Å; E16-S20 PolarHBondContact O-N 3.39Å; C17-S20 WeakPolarHBondContact O-CB 3.27Å; C17-S20 PolarHBondContact O-N 2.85Å; I18-S20 VanDerWaalsContact C-N 3.33Å; I18-S20 PolarHBondContact O-N 3.35Å; S20-S24 PolarHBondContact O-N 2.92Å; S20-S24 PolarHBondContact O-OG 2.97Å; S20-S24 VanDerWaalsContact O-OG 3.05Å; S20-H32 VanDerWaalsContact CB-ND1 3.28Å; S20-H32 WeakPolarHBondContact CB-ND1 3.39Å; S20-H32 PolarHBondContact OG-ND1 2.7Å; S20-H32 VanDerWaalsContact OG-ND1 3.12Å; S20-S242 PolarHBondContact OG-OG 3.23Å; S20-Y249 WeakPolarHBondContact CB-OH 3.06Å; S20-Y249 PolarHBondContact OG-OH 3.37Å
21	G	91.7	Very high	93.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63	-45.9	177	0	0	0	0	0	112.3	C17 I18 V19 S24 V25	C17-G21 PolarHBondContact O-N 2.96Å; I18-G21 PolarHBondContact O-N 3.08Å; I18-G21 VanDerWaalsContact O-N 3.16Å; V19-G21 VanDerWaalsContact C-N 3.32Å; V19-G21 PolarHBondContact O-N 3.25Å; G21-S24 PolarHBondContact O-N 3.02Å; G21-V25 VanDerWaalsContact O-CG2 3.29Å; G21-V25 WeakPolarHBondContact O-CG2 3.49Å; G21-V25 PolarHBondContact O-N 3.29Å
22	M	91.9	Very high	93.7	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-61.4	-45.7	177.8	-68.5	165.2	67.9	0	0	111.9	I18 V19 S24 V25 S26 L90 V417 L418 F421 F429	I18-M22 HydrophobicContact CG2-CG 4.43Å; I18-M22 HydrophobicContact CG2-SD 3.84Å; I18-M22 WeakPolarHBondContact O-CG 3.3Å; I18-M22 PolarHBondContact O-N 3.38Å; V19-M22 PolarHBondContact O-N 3.2Å; M22-S24 PolarHBondContact O-N 2.62Å; M22-V25 PolarHBondContact O-N 3.31Å; M22-S26 PolarHBondContact O-N 3.31Å; M22-S26 PolarHBondContact O-OG 2.97Å; M22-S26 VanDerWaalsContact O-OG 3.06Å; M22-L90 HydrophobicContact CG-CD1 4.14Å; M22-L90 HydrophobicContact CG-CD2 4Å; M22-L90 HydrophobicContact SD-CD2 4.13Å; M22-V417 HydrophobicContact CE-CG1 4.25Å; M22-V417 HydrophobicContact SD-CG1 3.39Å; M22-V417 WeakPolarHBondContact SD-CG1 3.43Å; M22-L418 HydrophobicContact CE-CD2 3.94Å; M22-F421 HydrophobicContact CB-CD2 3.71Å; M22-F421 HydrophobicContact CB-CE2 3.81Å; M22-F421 HydrophobicContact CE-CB 3.7Å; M22-F421 HydrophobicContact CE-CD1 4.19Å; M22-F421 HydrophobicContact CE-CD2 3.7Å; M22-F421 HydrophobicContact CE-CE2 4.4Å; M22-F421 HydrophobicContact CE-CG 3.58Å; M22-F429 HydrophobicContact CB-CD2 4.17Å; M22-F429 HydrophobicContact CB-CE2 3.83Å; M22-F429 HydrophobicContact CB-CZ 4.5Å; M22-F429 HydrophobicContact CE-CB 3.55Å; M22-F429 HydrophobicContact CE-CD1 3.96Å; M22-F429 HydrophobicContact CE-CD2 3.43Å; M22-F429 VanDerWaalsContact CE-CD2 3.43Å; M22-F429 HydrophobicContact CE-CE1 4.49Å; M22-F429 HydrophobicContact CE-CE2 4.04Å; M22-F429 HydrophobicContact CE-CG 3.37Å; M22-F429 HydrophobicContact CG-CD2 4.24Å; M22-F429 HydrophobicContact CG-CE2 3.88Å; M22-F429 HydrophobicContact CG-CZ 4.1Å
23	L	94	Very high	93.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-42.4	178.2	-70.7	168.1	0	0	0	112.1	C7 I9 V19 S26 G27 K28 V30 Y281 F421 T425	C7-L23 HydrophobicContact CB-CD1 4.21Å; I9-L23 HydrophobicContact CD1-CD1 3.74Å; V19-L23 HydrophobicContact CG1-CD1 3.69Å; V19-L23 HydrophobicContact CG1-CG 4.23Å; V19-L23 WeakPolarHBondContact O-CB 3.32Å; V19-L23 VanDerWaalsContact O-CG 3.3Å; V19-L23 WeakPolarHBondContact O-CG 3.48Å; V19-L23 PolarHBondContact O-N 2.91Å; L23-S26 CarbonylContact O-C 3.42Å; L23-S26 PolarHBondContact O-N 3.29Å; L23-G27 PolarHBondContact O-N 2.9Å; L23-K28 HydrophobicContact CB-CB 4.28Å; L23-K28 HydrophobicContact CB-CG 4.33Å; L23-K28 HydrophobicContact CD2-CG 4.22Å; L23-K28 VanDerWaalsContact O-CB 3.27Å; L23-K28 WeakPolarHBondContact O-CB 3.5Å; L23-K28 WeakPolarHBondContact O-CG 3.49Å; L23-K28 PolarHBondContact O-N 2.99Å; L23-V30 HydrophobicContact CB-CG2 3.92Å; L23-Y281 HydrophobicContact CD1-CD1 4.49Å; L23-Y281 HydrophobicContact CD1-CD2 3.93Å; L23-Y281 HydrophobicContact CD1-CE1 4.22Å; L23-Y281 HydrophobicContact CD1-CE2 3.62Å; L23-Y281 HydrophobicContact CD1-CG 4.36Å; L23-F421 HydrophobicContact CD2-CD2 4.2Å; L23-F421 HydrophobicContact CD2-CE2 4.06Å; L23-F421 HydrophobicContact CG-CD2 4.42Å; L23-F421 HydrophobicContact CG-CE2 4.45Å; L23-T425 HydrophobicContact CD2-CG2 3.73Å
24	S	91.5	Very high	93.9	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-64.3	-41.7	176	-60.6	0	0	0	0	112.2	S20 G21 M22 S26 G27 V30 S242	S20-S24 PolarHBondContact O-N 2.92Å; S20-S24 PolarHBondContact O-OG 2.97Å; S20-S24 VanDerWaalsContact O-OG 3.05Å; G21-S24 PolarHBondContact O-N 3.02Å; M22-S24 PolarHBondContact O-N 2.62Å; S24-S26 PolarHBondContact O-N 3.22Å; S24-G27 WeakPolarHBondContact O-CA 3.44Å; S24-G27 PolarHBondContact O-N 3.23Å; S24-V30 WeakPolarHBondContact OG-CG2 3.21Å; S24-S242 WeakPolarHBondContact OG-CB 3.4Å; S24-S242 PolarHBondContact OG-OG 2.98Å
25	V	87.6	Confident	94.1	Very high	30 Å²	30	19.4 Å²	19.4	18%	0.182	11%	0.109	C	C	.	.	H	α-helix	trans	-63.5	-32.4	174.5	171.9	0	0	0	0	111.5	G21 M22 G27 T94 L241 Y245	G21-V25 VanDerWaalsContact O-CG2 3.29Å; G21-V25 WeakPolarHBondContact O-CG2 3.49Å; G21-V25 PolarHBondContact O-N 3.29Å; M22-V25 PolarHBondContact O-N 3.31Å; V25-G27 PolarHBondContact O-N 3.1Å; V25-T94 HydrophobicContact CG2-CG2 4.28Å; V25-L241 HydrophobicContact CG2-CD1 4.34Å; V25-L241 HydrophobicContact CG2-CD2 4.07Å; V25-L241 HydrophobicContact CG2-CG 4.27Å; V25-Y245 HydrophobicContact CG2-CD2 3.99Å; V25-Y245 HydrophobicContact CG2-CE1 4.43Å; V25-Y245 HydrophobicContact CG2-CE2 3.76Å; V25-Y245 HydrophobicContact CG2-CG 4.44Å
26	S	89.7	Confident	94	Very high	50 Å²	50	21.2 Å²	21.2	35%	0.35	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	9.6	171.5	-56.8	0	0	0	0	114.1	M22 L23 S24 K28 F421	M22-S26 PolarHBondContact O-N 3.31Å; M22-S26 PolarHBondContact O-OG 2.97Å; M22-S26 VanDerWaalsContact O-OG 3.06Å; L23-S26 CarbonylContact O-C 3.42Å; L23-S26 PolarHBondContact O-N 3.29Å; S24-S26 PolarHBondContact O-N 3.22Å; S26-K28 PolarHBondContact O-N 2.84Å; S26-F421 WeakPolarHBondContact OG-CZ 3.35Å
27	G	90.4	Very high	93.8	Very high	63 Å²	63	26.3 Å²	26.3	65%	0.649	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	13.9	174.8	0	0	0	0	0	114.8	L23 S24 V25	L23-G27 PolarHBondContact O-N 2.9Å; S24-G27 WeakPolarHBondContact O-CA 3.44Å; S24-G27 PolarHBondContact O-N 3.23Å; V25-G27 PolarHBondContact O-N 3.1Å
28	K	93.9	Very high	93.6	Very high	70 Å²	70	31.2 Å²	31.2	30%	0.304	17%	0.165	S	C	.	.			trans	-76	141	175.5	-57.3	-64	-176.6	175.6	0	110.4	D6 L23 S26 V30	D6-K28 HydrophobicContact CB-CB 4.18Å; D6-K28 HydrophobicContact CB-CD 4.18Å; L23-K28 HydrophobicContact CB-CB 4.28Å; L23-K28 HydrophobicContact CB-CG 4.33Å; L23-K28 HydrophobicContact CD2-CG 4.22Å; L23-K28 VanDerWaalsContact O-CB 3.27Å; L23-K28 WeakPolarHBondContact O-CB 3.5Å; L23-K28 WeakPolarHBondContact O-CG 3.49Å; L23-K28 PolarHBondContact O-N 2.99Å; S26-K28 PolarHBondContact O-N 2.84Å; K28-V30 HydrophobicContact CB-CG2 4.14Å; K28-V30 PolarHBondContact O-N 3.33Å
29	K	95.5	Very high	93.6	Very high	69 Å²	69	34.3 Å²	34.3	30%	0.3	18%	0.177	S	C	.	.			trans	-77.6	108.1	169	-169.6	-179.3	179.7	173.2	0	109.8	E3 Y5 D6 C7	E3-K29 VanDerWaalsContact CD-NZ 3.29Å; E3-K29 IonicContact OE1-NZ 3.4Å; E3-K29 IonicContact OE2-NZ 3.61Å; E3-K29 PolarHBondContact OE2-NZ 3.37Å; Y5-K29 HydrophobicContact CD1-CD 4.18Å; Y5-K29 HydrophobicContact CD1-CG 3.78Å; Y5-K29 HydrophobicContact CE1-CD 4.46Å; Y5-K29 HydrophobicContact CE1-CG 4.17Å; D6-K29 PolarHBondContact N-O 3.24Å; D6-K29 PolarHBondContact OD2-N 3.31Å; C7-K29 PolarHBondContact N-O 3.18Å
30	V	97	Very high	93.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.4	-172.4	-177.4	0	0	0	0	111.8	C7 I9 L23 S24 K28 G247 T248	C7-V30 HydrophobicContact CB-CG2 4.39Å; C7-V30 WeakPolarHBondContact O-CA 3.4Å; I9-V30 HydrophobicContact CD1-CG1 4.4Å; I9-V30 HydrophobicContact CG1-CG1 3.66Å; L23-V30 HydrophobicContact CB-CG2 3.92Å; S24-V30 WeakPolarHBondContact OG-CG2 3.21Å; K28-V30 HydrophobicContact CB-CG2 4.14Å; K28-V30 PolarHBondContact O-N 3.33Å; V30-G247 WeakPolarHBondContact O-CA 3.38Å; V30-T248 PolarHBondContact O-N 2.88Å
31	L	97	Very high	93.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.2	161.6	176.6	65.6	0	0	0	109.2	Y5 C7 V8 I9 I33 T248 M250 V275	Y5-L31 HydrophobicContact CD1-CB 3.62Å; Y5-L31 HydrophobicContact CD2-CB 4.25Å; Y5-L31 HydrophobicContact CD2-CD2 4.44Å; Y5-L31 HydrophobicContact CE1-CB 3.6Å; Y5-L31 HydrophobicContact CE2-CB 4.21Å; Y5-L31 HydrophobicContact CE2-CD2 4.08Å; Y5-L31 HydrophobicContact CG-CB 3.96Å; C7-L31 PolarHBondContact O-N 2.93Å; V8-L31 CarbonylContact C-O 3.53Å; V8-L31 VanDerWaalsContact CA-O 3.23Å; V8-L31 WeakPolarHBondContact CA-O 2.96Å; V8-L31 HydrophobicContact CG2-CB 4.19Å; V8-L31 HydrophobicContact CG2-CD2 4.44Å; I9-L31 PolarHBondContact N-O 3.14Å; L31-I33 HydrophobicContact CD1-CG1 4.44Å; L31-I33 HydrophobicContact CD2-CD1 3.76Å; L31-I33 HydrophobicContact CD2-CG1 4.06Å; L31-I33 HydrophobicContact CG-CD1 4.14Å; L31-I33 HydrophobicContact CG-CG1 3.88Å; L31-T248 CarbonylContact C-O 3.48Å; L31-T248 HydrophobicContact CD1-CG2 3.8Å; L31-M250 HydrophobicContact CD1-CE 3.7Å; L31-M250 HydrophobicContact CD1-CG 4.04Å; L31-M250 HydrophobicContact CD1-SD 3.92Å; L31-V275 HydrophobicContact CD2-CB 4.27Å; L31-V275 HydrophobicContact CD2-CG1 3.68Å; L31-V275 HydrophobicContact CD2-CG2 3.94Å
32	H	97.2	Very high	93.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.8	179.7	-161.3	136.7	0	0	0	109.4	I9 G11 T12 S20 T248 Y249 M250	I9-H32 HydrophobicContact CB-CB 4.29Å; I9-H32 CarbonylContact O-C 3.58Å; I9-H32 WeakPolarHBondContact O-CA 3.43Å; G11-H32 PolarHBondContact O-NE2 3.14Å; T12-H32 VanDerWaalsContact CG2-NE2 3.34Å; T12-H32 WeakPolarHBondContact CG2-NE2 3.27Å; S20-H32 VanDerWaalsContact CB-ND1 3.28Å; S20-H32 WeakPolarHBondContact CB-ND1 3.39Å; S20-H32 PolarHBondContact OG-ND1 2.7Å; S20-H32 VanDerWaalsContact OG-ND1 3.12Å; H32-T248 PolarHBondContact N-O 3.3Å; H32-Y249 HydrophobicContact CB-CD1 3.78Å; H32-Y249 HydrophobicContact CB-CD2 4.02Å; H32-Y249 HydrophobicContact CB-CE1 3.61Å; H32-Y249 HydrophobicContact CB-CE2 3.79Å; H32-Y249 HydrophobicContact CB-CG 3.99Å; H32-Y249 AromaticContact CD2-CE1 3.78Å; H32-Y249 AromaticContact CE1-CE1 3.78Å; H32-Y249 AromaticContact CE1-CZ 3.99Å; H32-Y249 AromaticContact CG-CD1 3.84Å; H32-Y249 AromaticContact CG-CE1 3.29Å; H32-Y249 AromaticContact CG-CZ 3.5Å; H32-Y249 VanDerWaalsContact CG-CZ 3.5Å; H32-Y249 AromaticContact ND1-CE1 3.3Å; H32-Y249 VanDerWaalsContact ND1-CE1 3.3Å; H32-Y249 WeakPolarHBondContact ND1-CE1 3.41Å; H32-Y249 AromaticContact ND1-CZ 3.2Å; H32-Y249 PolarHBondContact ND1-OH 2.82Å; H32-Y249 CarbonylContact O-C 3.53Å; H32-Y249 WeakPolarHBondContact O-CA 3.35Å; H32-M250 PolarHBondContact O-N 3.32Å
33	I	96.7	Very high	93.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.8	-175.1	-56.9	177.2	0	0	0	109.5	V8 I9 L10 G11 L31 M250 K253 V255	V8-I33 HydrophobicContact CG1-CD1 4.22Å; I9-I33 PolarHBondContact O-N 3.19Å; L10-I33 CarbonylContact C-O 3.5Å; L10-I33 WeakPolarHBondContact CA-O 3.47Å; L10-I33 HydrophobicContact CD2-CB 3.96Å; L10-I33 HydrophobicContact CD2-CD1 4.32Å; G11-I33 PolarHBondContact N-O 2.84Å; L31-I33 HydrophobicContact CD1-CG1 4.44Å; L31-I33 HydrophobicContact CD2-CD1 3.76Å; L31-I33 HydrophobicContact CD2-CG1 4.06Å; L31-I33 HydrophobicContact CG-CD1 4.14Å; L31-I33 HydrophobicContact CG-CG1 3.88Å; I33-M250 CarbonylContact C-O 3.46Å; I33-M250 WeakPolarHBondContact CA-O 3.21Å; I33-K253 HydrophobicContact CG2-CB 3.89Å; I33-K253 HydrophobicContact CG2-CG 4.01Å; I33-V255 HydrophobicContact CB-CG2 4.48Å; I33-V255 HydrophobicContact CG2-CG2 3.68Å
34	D	96.7	Very high	93.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.203	C	C	.	.			trans	-130.1	138.7	164.9	-154.1	-40.9	0	0	0	110.7	T12 N36 M250 L251 D252 K253 Y286	T12-D34 VanDerWaalsContact CB-OD2 3.3Å; T12-D34 WeakPolarHBondContact CB-OD2 3.22Å; T12-D34 HydrophobicContact CG2-CB 3.78Å; T12-D34 PolarHBondContact N-OD2 2.69Å; T12-D34 PolarHBondContact OG1-OD2 3.4Å; D34-N36 PolarHBondContact O-N 3.29Å; D34-N36 WeakPolarHBondContact OD1-CB 3.44Å; D34-N36 PolarHBondContact OD1-N 3.29Å; D34-N36 PolarHBondContact OD1-ND2 2.89Å; D34-M250 PolarHBondContact N-O 3.37Å; D34-L251 HydrophobicContact CB-CD2 3.71Å; D34-L251 CarbonylContact O-C 3.59Å; D34-D252 PolarHBondContact O-N 3.1Å; D34-D252 VanDerWaalsContact O-N 3.13Å; D34-K253 PolarHBondContact O-N 3.28Å; D34-Y286 PolarHBondContact OD1-OH 2.75Å
35	R	96.2	Very high	93.5	Very high	111 Å²	111	39.9 Å²	39.9	42%	0.419	21%	0.21	S	C	.	.	S	Bend	trans	-69	-23	170.3	71.5	-173.4	174.7	-150	-12.2	112.6	S285 Y286	R35-S285 PolarHBondContact NH2-OG 2.86Å; R35-Y286 WeakPolarHBondContact CG-OH 3.47Å; R35-Y286 PolarHBondContact N-OH 3.42Å
36	N	93.8	Very high	93.9	Very high	39 Å²	39	39.2 Å²	39.2	21%	0.209	21%	0.206	C	C	.	.	S	Bend	trans	-84	152.6	177.6	-54.6	-69	0	0	0	110.6	D34 Y38 D252	D34-N36 PolarHBondContact O-N 3.29Å; D34-N36 WeakPolarHBondContact OD1-CB 3.44Å; D34-N36 PolarHBondContact OD1-N 3.29Å; D34-N36 PolarHBondContact OD1-ND2 2.89Å; N36-Y38 HydrophobicContact CB-CD1 4.2Å; N36-Y38 HydrophobicContact CB-CD2 4.39Å; N36-Y38 HydrophobicContact CB-CE1 4.01Å; N36-Y38 HydrophobicContact CB-CE2 4.22Å; N36-Y38 HydrophobicContact CB-CG 4.38Å; N36-Y38 PolarHBondContact O-N 2.89Å; N36-D252 PolarHBondContact O-N 3.18Å
37	N	92	Very high	94.2	Very high	114 Å²	114	39.3 Å²	39.3	61%	0.61	20%	0.204	S	C	*	.	S	Bend	trans	-86.7	10.6	173.6	67.5	-14.7	0	0	0	113.3	D252	N37-D252 HydrophobicContact CB-CB 3.98Å
38	Y	90.7	Very high	94.5	Very high	103 Å²	103	38.6 Å²	38.6	40%	0.404	19%	0.188	S	C	.	.	S	Bend	trans	-138.1	161.5	179.7	59.8	-100.2	0	0	0	110.4	N36 A44	N36-Y38 HydrophobicContact CB-CD1 4.2Å; N36-Y38 HydrophobicContact CB-CD2 4.39Å; N36-Y38 HydrophobicContact CB-CE1 4.01Å; N36-Y38 HydrophobicContact CB-CE2 4.22Å; N36-Y38 HydrophobicContact CB-CG 4.38Å; N36-Y38 PolarHBondContact O-N 2.89Å; Y38-A44 HydrophobicContact CD2-CB 4.11Å; Y38-A44 HydrophobicContact CE2-CB 3.92Å
39	Y	91.3	Very high	94.7	Very high	66 Å²	66	35.3 Å²	35.3	26%	0.259	17%	0.174	S	C	.	.	S	Bend	trans	-84	152.4	178.3	-68.6	-81	0	0	0	113.3	T12 A44 P235 Q236 A239 Y249 L251	T12-Y39 HydrophobicContact CG2-CD1 3.82Å; T12-Y39 HydrophobicContact CG2-CE1 4.18Å; T12-Y39 VanDerWaalsContact OG1-CA 3.31Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.31Å; Y39-A44 WeakPolarHBondContact O-CB 3.38Å; Y39-P235 HydrophobicContact CD1-CB 4.34Å; Y39-P235 HydrophobicContact CG-CB 4.46Å; Y39-Q236 HydrophobicContact CD2-CG 3.62Å; Y39-Q236 HydrophobicContact CE2-CG 3.95Å; Y39-Q236 HydrophobicContact CG-CG 4.1Å; Y39-A239 HydrophobicContact CE1-CB 3.89Å; Y39-Y249 HydrophobicContact CE1-CD1 4.03Å; Y39-Y249 HydrophobicContact CE1-CE1 4.28Å; Y39-L251 HydrophobicContact CD1-CD2 4.33Å; Y39-L251 HydrophobicContact CD2-CD1 4.21Å; Y39-L251 HydrophobicContact CE1-CD1 4.33Å; Y39-L251 HydrophobicContact CE1-CD2 4.14Å; Y39-L251 HydrophobicContact CE2-CD1 3.8Å
40	G	90.8	Very high	94.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	18%	0.175	C	C	.	.			trans	106.8	-16	162.9	0	0	0	0	0	115.6	T12 E42 S43 A44	T12-G40 WeakPolarHBondContact O-CA 3.24Å; T12-G40 PolarHBondContact O-N 2.84Å; T12-G40 PolarHBondContact OG1-N 3.37Å; G40-E42 PolarHBondContact O-N 2.87Å; G40-S43 CarbonylContact O-C 3.58Å; G40-S43 WeakPolarHBondContact O-CA 3.31Å; G40-S43 PolarHBondContact O-N 2.88Å; G40-S43 PolarHBondContact O-OG 3.23Å; G40-A44 PolarHBondContact O-N 3.48Å
41	G	90.6	Very high	94.8	Very high	16 Å²	16	39.8 Å²	39.8	17%	0.165	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	51.6	-121.8	-180	0	0	0	0	0	113	S43 A44	G41-S43 VanDerWaalsContact C-N 3.25Å; G41-S43 PolarHBondContact O-N 2.88Å; G41-A44 WeakPolarHBondContact O-CB 3.13Å; G41-A44 PolarHBondContact O-N 3.07Å
42	E	92	Very high	94.8	Very high	77 Å²	77	39.8 Å²	39.8	36%	0.36	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-66	-27.3	176	-159.4	-167.4	164.2	0	0	112.8	G40 L76 I77 R299 S384	G40-E42 PolarHBondContact O-N 2.87Å; E42-L76 WeakPolarHBondContact O-CB 3.2Å; E42-I77 HydrophobicContact CB-CD1 4.39Å; E42-I77 HydrophobicContact CG-CD1 3.95Å; E42-R299 IonicContact OE1-NH1 3.36Å; E42-S384 WeakPolarHBondContact OE1-CB 3.28Å; E42-S384 PolarHBondContact OE1-OG 3.34Å
43	S	94	Very high	94.8	Very high	2 Å²	2	40 Å²	40	1%	0.014	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-92.6	11.6	179.2	63	0	0	0	0	114.3	L14 G40 G41	L14-S43 PolarHBondContact N-OG 3Å; G40-S43 CarbonylContact O-C 3.58Å; G40-S43 WeakPolarHBondContact O-CA 3.31Å; G40-S43 PolarHBondContact O-N 2.88Å; G40-S43 PolarHBondContact O-OG 3.23Å; G41-S43 VanDerWaalsContact C-N 3.25Å; G41-S43 PolarHBondContact O-N 2.88Å
44	A	94.5	Very high	94.8	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-59.5	153.1	-177.6	0	0	0	0	0	113.4	Y38 Y39 G40 G41 L76	Y38-A44 HydrophobicContact CD2-CB 4.11Å; Y38-A44 HydrophobicContact CE2-CB 3.92Å; Y39-A44 WeakPolarHBondContact O-CB 3.38Å; G40-A44 PolarHBondContact O-N 3.48Å; G41-A44 WeakPolarHBondContact O-CB 3.13Å; G41-A44 PolarHBondContact O-N 3.07Å; A44-L76 WeakPolarHBondContact O-CG 3.41Å; A44-L76 PolarHBondContact O-N 2.84Å
45	S	95.6	Very high	94.8	Very high	23 Å²	23	50.6 Å²	50.6	16%	0.161	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.4	168.8	-50.2	0	0	0	0	109.4	V74 D75 G232	S45-V74 WeakPolarHBondContact CA-O 3.24Å; S45-D75 WeakPolarHBondContact CB-OD1 3.31Å; S45-D75 PolarHBondContact OG-OD1 2.67Å; S45-G232 VanDerWaalsContact OG-CA 3.29Å; S45-G232 WeakPolarHBondContact OG-CA 3.22Å; S45-G232 PolarHBondContact OG-N 2.74Å
46	L	96.2	Very high	94.8	Very high	16 Å²	16	47.3 Å²	47.3	8%	0.084	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.1	-179.2	-57.3	-174.9	0	0	0	110.5	Q51 L52 K55 V74 L76	L46-Q51 HydrophobicContact CB-CB 4.17Å; L46-L52 HydrophobicContact CB-CB 4.5Å; L46-L52 HydrophobicContact CD1-CB 4.28Å; L46-L52 HydrophobicContact CD1-CD1 3.95Å; L46-K55 HydrophobicContact CD1-CB 4.25Å; L46-K55 HydrophobicContact CD1-CD 3.69Å; L46-V74 PolarHBondContact N-O 2.89Å; L46-V74 PolarHBondContact O-N 3.09Å; L46-L76 HydrophobicContact CD1-CD2 3.85Å; L46-L76 HydrophobicContact CD1-CG 4.37Å; L46-L76 HydrophobicContact CG-CD2 4.27Å; L46-L76 HydrophobicContact CG-CG 4.29Å
47	T	96.2	Very high	94.9	Very high	53 Å²	53	48.1 Å²	48.1	33%	0.325	24%	0.237	S	C	.	.			trans	-153.7	135.2	178.3	-175.1	0	0	0	0	110.3	Q51 W72 N73	T47-Q51 PolarHBondContact O-NE2 3Å; T47-Q51 PolarHBondContact O-OE1 3.02Å; T47-W72 VanDerWaalsContact CB-O 3.31Å; T47-W72 WeakPolarHBondContact CB-O 3.49Å; T47-W72 PolarHBondContact OG1-O 3.21Å; T47-N73 WeakPolarHBondContact CB-OD1 3.25Å; T47-N73 WeakPolarHBondContact CG2-OD1 3.41Å; T47-N73 PolarHBondContact OG1-OD1 3.12Å; T47-N73 VanDerWaalsContact OG1-OD1 3.09Å
48	P	96.7	Very high	95	Very high	48 Å²	48	46.2 Å²	46.2	31%	0.312	23%	0.231	S	C	.	.	S	Bend	cis	-74	176.3	-0.3	35.6	-39.1	0	0	0	112.1	E50 Q51 G69	P48-E50 WeakPolarHBondContact CB-OE2 2.74Å; P48-E50 VanDerWaalsContact CG-OE2 3.25Å; P48-E50 WeakPolarHBondContact CG-OE2 3.49Å; P48-E50 PolarHBondContact O-N 3.13Å; P48-Q51 WeakPolarHBondContact O-CB 3.1Å; P48-Q51 PolarHBondContact O-N 3.17Å; P48-G69 WeakPolarHBondContact CA-O 3.34Å; P48-G69 WeakPolarHBondContact CB-O 3.22Å
49	L	97.8	Very high	95.1	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-48.6	-31.8	-177.7	-176.4	59.3	0	0	0	114.4	Q51 L52 Y53 P62 M66 G69 W72 L303	L49-Q51 PolarHBondContact O-N 3Å; L49-L52 HydrophobicContact CD1-CB 4.38Å; L49-L52 HydrophobicContact CD1-CD2 3.98Å; L49-L52 WeakPolarHBondContact O-CB 3.23Å; L49-L52 PolarHBondContact O-N 3.26Å; L49-Y53 HydrophobicContact CD1-CD2 4.3Å; L49-Y53 HydrophobicContact CD1-CE2 4.13Å; L49-Y53 HydrophobicContact CD2-CE2 4.27Å; L49-Y53 HydrophobicContact CG-CD2 4.11Å; L49-Y53 HydrophobicContact CG-CE2 4.03Å; L49-Y53 PolarHBondContact O-N 3.46Å; L49-P62 HydrophobicContact CD2-CB 3.52Å; L49-P62 HydrophobicContact CD2-CG 4.27Å; L49-P62 HydrophobicContact CG-CB 3.87Å; L49-P62 HydrophobicContact CG-CG 4.28Å; L49-M66 HydrophobicContact CD2-CB 3.86Å; L49-M66 HydrophobicContact CD2-CG 4.42Å; L49-M66 HydrophobicContact CD2-SD 3.77Å; L49-G69 PolarHBondContact N-O 3.23Å; L49-W72 HydrophobicContact CB-CB 3.91Å; L49-W72 HydrophobicContact CB-CG 3.84Å; L49-W72 HydrophobicContact CD1-CB 4.32Å; L49-W72 HydrophobicContact CD1-CD2 3.99Å; L49-W72 HydrophobicContact CD1-CE3 4.13Å; L49-W72 HydrophobicContact CD1-CG 4.11Å; L49-W72 HydrophobicContact CD2-CD2 4.03Å; L49-W72 HydrophobicContact CD2-CG 4.11Å; L49-W72 HydrophobicContact CD2-CZ2 4.27Å; L49-W72 HydrophobicContact CG-CD2 4.41Å; L49-W72 HydrophobicContact CG-CG 4.23Å; L49-L303 HydrophobicContact CD1-CD1 4.11Å
50	E	97.4	Very high	95.3	Very high	67 Å²	67	52.1 Å²	52.1	31%	0.313	26%	0.26	S	S	.	.	H	α-helix	trans	-55.9	-32.9	176.8	-65.8	74.8	-171.5	0	0	112.1	P48 L52 Y53 E54 P62	P48-E50 WeakPolarHBondContact CB-OE2 2.74Å; P48-E50 VanDerWaalsContact CG-OE2 3.25Å; P48-E50 WeakPolarHBondContact CG-OE2 3.49Å; P48-E50 PolarHBondContact O-N 3.13Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 3.44Å; E50-Y53 PolarHBondContact O-N 3.39Å; E50-E54 WeakPolarHBondContact O-CB 3.25Å; E50-E54 PolarHBondContact O-N 3.41Å; E50-P62 HydrophobicContact CG-CG 3.8Å
51	Q	96.4	Very high	95.5	Very high	95 Å²	95	58.2 Å²	58.2	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-66.6	-34.6	176.5	-67.7	-171.3	5.6	0	0	112.7	L46 T47 P48 L49 K55	L46-Q51 HydrophobicContact CB-CB 4.17Å; T47-Q51 PolarHBondContact O-NE2 3Å; T47-Q51 PolarHBondContact O-OE1 3.02Å; P48-Q51 WeakPolarHBondContact O-CB 3.1Å; P48-Q51 PolarHBondContact O-N 3.17Å; L49-Q51 PolarHBondContact O-N 3Å; Q51-K55 WeakPolarHBondContact O-CB 3.17Å; Q51-K55 PolarHBondContact O-N 3.15Å
52	L	97.6	Very high	95.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-45.1	173.9	-178.2	70.9	0	0	0	110.4	L46 L49 E50 K55 F56 V74 I301 L303 F380	L46-L52 HydrophobicContact CB-CB 4.5Å; L46-L52 HydrophobicContact CD1-CB 4.28Å; L46-L52 HydrophobicContact CD1-CD1 3.95Å; L49-L52 HydrophobicContact CD1-CB 4.38Å; L49-L52 HydrophobicContact CD1-CD2 3.98Å; L49-L52 WeakPolarHBondContact O-CB 3.23Å; L49-L52 PolarHBondContact O-N 3.26Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 3.44Å; L52-K55 PolarHBondContact O-N 3.36Å; L52-F56 HydrophobicContact CD1-CD2 3.69Å; L52-F56 HydrophobicContact CD1-CE2 3.64Å; L52-F56 HydrophobicContact CG-CD2 4.38Å; L52-F56 WeakPolarHBondContact O-CD2 3.41Å; L52-F56 PolarHBondContact O-N 3.25Å; L52-V74 HydrophobicContact CD1-CG1 4.05Å; L52-V74 HydrophobicContact CD2-CB 4.27Å; L52-V74 HydrophobicContact CD2-CG1 4.01Å; L52-V74 HydrophobicContact CD2-CG2 4.1Å; L52-I301 HydrophobicContact CD1-CD1 4.1Å; L52-L303 HydrophobicContact CD2-CD1 4.25Å; L52-F380 HydrophobicContact CD2-CD2 3.91Å; L52-F380 HydrophobicContact CD2-CE2 3.43Å; L52-F380 VanDerWaalsContact CD2-CE2 3.43Å; L52-F380 HydrophobicContact CD2-CZ 3.95Å; L52-F380 HydrophobicContact CG-CD2 4.21Å; L52-F380 HydrophobicContact CG-CE2 3.94Å; L52-F380 HydrophobicContact CG-CZ 4.13Å
53	Y	98	Very high	96	Very high	6 Å²	6	56.9 Å²	56.9	2%	0.024	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-45.9	176.5	-85.3	-105	0	0	0	111.4	L49 E50 K55 F56 L57 C60 P62 P63 M66 F380	L49-Y53 HydrophobicContact CD1-CD2 4.3Å; L49-Y53 HydrophobicContact CD1-CE2 4.13Å; L49-Y53 HydrophobicContact CD2-CE2 4.27Å; L49-Y53 HydrophobicContact CG-CD2 4.11Å; L49-Y53 HydrophobicContact CG-CE2 4.03Å; L49-Y53 PolarHBondContact O-N 3.46Å; E50-Y53 PolarHBondContact O-N 3.39Å; Y53-K55 VanDerWaalsContact C-N 3.27Å; Y53-K55 PolarHBondContact O-N 2.98Å; Y53-F56 PolarHBondContact O-N 3.17Å; Y53-L57 HydrophobicContact CD1-CD1 4.12Å; Y53-L57 HydrophobicContact CE1-CD1 4.17Å; Y53-L57 CarbonylContact O-C 3.42Å; Y53-L57 WeakPolarHBondContact O-CA 3.22Å; Y53-L57 PolarHBondContact O-N 3.06Å; Y53-C60 HydrophobicContact CD1-CB 4.11Å; Y53-P62 HydrophobicContact CD2-CB 3.82Å; Y53-P62 HydrophobicContact CD2-CG 4.4Å; Y53-P62 HydrophobicContact CE2-CB 3.62Å; Y53-P62 HydrophobicContact CG-CB 4.36Å; Y53-P63 VanDerWaalsContact OH-CD 3.23Å; Y53-P63 WeakPolarHBondContact OH-CD 3.46Å; Y53-M66 HydrophobicContact CE2-SD 4.22Å; Y53-M66 PolarHBondContact OH-SD 3.37Å; Y53-F380 HydrophobicContact CD2-CZ 4.08Å; Y53-F380 HydrophobicContact CE1-CZ 4.44Å; Y53-F380 AromaticContact CE2-CZ 3.82Å; Y53-F380 HydrophobicContact CE2-CZ 3.82Å
54	E	96.6	Very high	96.1	Very high	108 Å²	108	61.4 Å²	61.4	51%	0.505	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-38.3	178.8	-174.8	58.4	-159.1	0	0	111.9	E50 P58	E50-E54 WeakPolarHBondContact O-CB 3.25Å; E50-E54 PolarHBondContact O-N 3.41Å; E54-P58 WeakPolarHBondContact O-CG 3.46Å
55	K	95.7	Very high	96.2	Very high	115 Å²	115	67.4 Å²	67.4	50%	0.5	35%	0.349	S	S	.	.	H	α-helix	trans	-66.5	-43	179	-175.8	177.6	179.1	67.7	0	113.3	L46 Q51 L52 Y53 L76	L46-K55 HydrophobicContact CD1-CB 4.25Å; L46-K55 HydrophobicContact CD1-CD 3.69Å; Q51-K55 WeakPolarHBondContact O-CB 3.17Å; Q51-K55 PolarHBondContact O-N 3.15Å; L52-K55 PolarHBondContact O-N 3.36Å; Y53-K55 VanDerWaalsContact C-N 3.27Å; Y53-K55 PolarHBondContact O-N 2.98Å; K55-L76 HydrophobicContact CD-CD1 4.35Å; K55-L76 HydrophobicContact CD-CD2 4.18Å
56	F	97.4	Very high	96.3	Very high	43 Å²	43	66.3 Å²	66.3	19%	0.189	34%	0.342	C	S	.	.	H	α-helix	trans	-108.1	-25.5	-169.7	-71.7	-84.3	0	0	0	114.5	L52 Y53 L76 I301 F380	L52-F56 HydrophobicContact CD1-CD2 3.69Å; L52-F56 HydrophobicContact CD1-CE2 3.64Å; L52-F56 HydrophobicContact CG-CD2 4.38Å; L52-F56 WeakPolarHBondContact O-CD2 3.41Å; L52-F56 PolarHBondContact O-N 3.25Å; Y53-F56 PolarHBondContact O-N 3.17Å; F56-L76 HydrophobicContact CE2-CD2 3.84Å; F56-L76 HydrophobicContact CZ-CD2 4.06Å; F56-I301 HydrophobicContact CE2-CD1 4.17Å; F56-I301 HydrophobicContact CZ-CD1 4.2Å; F56-F380 HydrophobicContact CB-CB 4.01Å; F56-F380 HydrophobicContact CB-CD1 3.4Å; F56-F380 VanDerWaalsContact CB-CD1 3.4Å; F56-F380 HydrophobicContact CB-CE1 4.18Å; F56-F380 HydrophobicContact CB-CG 4.05Å; F56-F380 HydrophobicContact CD1-CB 3.84Å; F56-F380 HydrophobicContact CD2-CB 4.04Å; F56-F380 HydrophobicContact CD2-CD1 4.36Å; F56-F380 HydrophobicContact CD2-CG 4.3Å; F56-F380 HydrophobicContact CE1-CB 4.24Å; F56-F380 HydrophobicContact CE2-CB 4.44Å; F56-F380 HydrophobicContact CG-CB 3.72Å; F56-F380 HydrophobicContact CG-CD1 4Å; F56-F380 HydrophobicContact CG-CG 4.15Å
57	L	96.2	Very high	96.3	Very high	56 Å²	56	67.8 Å²	67.8	29%	0.293	36%	0.36	S	S	.	.	S	Bend	trans	-133.5	65.7	178.8	-59.4	178.5	0	0	0	109.9	Y53 R59 C60 F380	Y53-L57 HydrophobicContact CD1-CD1 4.12Å; Y53-L57 HydrophobicContact CE1-CD1 4.17Å; Y53-L57 CarbonylContact O-C 3.42Å; Y53-L57 WeakPolarHBondContact O-CA 3.22Å; Y53-L57 PolarHBondContact O-N 3.06Å; L57-R59 PolarHBondContact O-N 3.35Å; L57-C60 HydrophobicContact CB-CB 3.8Å; L57-C60 VanDerWaalsContact O-CB 3.27Å; L57-C60 WeakPolarHBondContact O-CB 3.26Å; L57-C60 PolarHBondContact O-N 2.91Å; L57-F380 HydrophobicContact CD1-CD1 4.25Å; L57-F380 HydrophobicContact CD1-CE1 3.63Å; L57-F380 HydrophobicContact CG-CD1 4.14Å; L57-F380 HydrophobicContact CG-CE1 3.88Å
58	P	93.4	Very high	96.3	Very high	73 Å²	73	72.8 Å²	72.8	47%	0.474	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	135.6	-178.3	-21.5	29.4	0	0	0	111.1	E54 C60	E54-P58 WeakPolarHBondContact O-CG 3.46Å; P58-C60 VanDerWaalsContact C-N 3.3Å
59	R	91.9	Very high	96.3	Very high	233 Å²	233	70.9 Å²	70.9	88%	0.879	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	1.4	-174.6	-48.2	170.5	-76.9	-163.3	-4.5	115.8	L57	L57-R59 PolarHBondContact O-N 3.35Å
60	C	95.3	Very high	96.3	Very high	60 Å²	60	78.9 Å²	78.9	41%	0.405	39%	0.393	S	S	.	.			trans	-95.2	145.6	168.5	-64.6	0	0	0	0	110.4	Y53 L57 P58	Y53-C60 HydrophobicContact CD1-CB 4.11Å; L57-C60 HydrophobicContact CB-CB 3.8Å; L57-C60 VanDerWaalsContact O-CB 3.27Å; L57-C60 WeakPolarHBondContact O-CB 3.26Å; L57-C60 PolarHBondContact O-N 2.91Å; P58-C60 VanDerWaalsContact C-N 3.3Å
61	Q	95.8	Very high	96.3	Very high	129 Å²	129	78.7 Å²	78.7	60%	0.603	39%	0.394	S	S	*	.			trans	-107.6	148.2	172	-68.7	-64.8	-47.9	0	0	109.6
62	P	97	Very high	96.4	Very high	21 Å²	21	74.1 Å²	74.1	14%	0.136	37%	0.372	C	S	.	.			trans	-60	135.6	172.2	23.7	-31.3	0	0	0	110.8	L49 E50 Y53 M66	L49-P62 HydrophobicContact CD2-CB 3.52Å; L49-P62 HydrophobicContact CD2-CG 4.27Å; L49-P62 HydrophobicContact CG-CB 3.87Å; L49-P62 HydrophobicContact CG-CG 4.28Å; E50-P62 HydrophobicContact CG-CG 3.8Å; Y53-P62 HydrophobicContact CD2-CB 3.82Å; Y53-P62 HydrophobicContact CD2-CG 4.4Å; Y53-P62 HydrophobicContact CE2-CB 3.62Å; Y53-P62 HydrophobicContact CG-CB 4.36Å; P62-M66 HydrophobicContact CB-SD 4.47Å
63	P	96.7	Very high	96.4	Very high	44 Å²	44	75.2 Å²	75.2	29%	0.286	38%	0.378	S	S	.	.			trans	-58	139.5	173.9	-28.1	37.6	0	0	0	112.3	Y53 E65 M66 Y377	Y53-P63 VanDerWaalsContact OH-CD 3.23Å; Y53-P63 WeakPolarHBondContact OH-CD 3.46Å; P63-E65 HydrophobicContact CB-CG 4.04Å; P63-E65 PolarHBondContact O-N 2.96Å; P63-E65 VanDerWaalsContact O-N 3.07Å; P63-M66 WeakPolarHBondContact O-CB 3.49Å; P63-M66 PolarHBondContact O-N 3.32Å; P63-Y377 WeakPolarHBondContact CB-OH 3.28Å; P63-Y377 HydrophobicContact CG-CE1 4.07Å
64	A	96.1	Very high	96.4	Very high	97 Å²	97	75 Å²	75	80%	0.802	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-59.6	-25.4	-174.8	0	0	0	0	0	114.3	M66 G67	A64-M66 PolarHBondContact O-N 2.91Å; A64-G67 PolarHBondContact O-N 2.75Å; A64-G67 VanDerWaalsContact O-N 3.14Å
65	E	96.7	Very high	96.4	Very high	127 Å²	127	70 Å²	70	59%	0.593	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-68.4	-16.1	175.6	60.2	-168.1	-133.3	0	0	114.4	P63 G67 W348 Y377	P63-E65 HydrophobicContact CB-CG 4.04Å; P63-E65 PolarHBondContact O-N 2.96Å; P63-E65 VanDerWaalsContact O-N 3.07Å; E65-G67 PolarHBondContact O-N 2.81Å; E65-W348 PolarHBondContact O-NE1 2.83Å; E65-Y377 WeakPolarHBondContact OE1-CE2 3.15Å; E65-Y377 PolarHBondContact OE1-OH 2.89Å
66	M	97.1	Very high	96.5	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.005	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-72	-1.6	169.6	-70.9	-179.5	159.2	0	0	113.1	L49 Y53 P62 P63 A64 W72 L303 A345 W348 Y377 Q378	L49-M66 HydrophobicContact CD2-CB 3.86Å; L49-M66 HydrophobicContact CD2-CG 4.42Å; L49-M66 HydrophobicContact CD2-SD 3.77Å; Y53-M66 HydrophobicContact CE2-SD 4.22Å; Y53-M66 PolarHBondContact OH-SD 3.37Å; P62-M66 HydrophobicContact CB-SD 4.47Å; P63-M66 WeakPolarHBondContact O-CB 3.49Å; P63-M66 PolarHBondContact O-N 3.32Å; A64-M66 PolarHBondContact O-N 2.91Å; M66-W72 HydrophobicContact CB-CZ2 3.94Å; M66-W72 HydrophobicContact CG-CZ2 4.29Å; M66-W72 PolarHBondContact O-NE1 2.82Å; M66-L303 HydrophobicContact CE-CB 4.15Å; M66-L303 HydrophobicContact CE-CD1 3.84Å; M66-L303 HydrophobicContact SD-CD1 4.31Å; M66-A345 VanDerWaalsContact O-CB 3.3Å; M66-A345 WeakPolarHBondContact O-CB 3.42Å; M66-W348 HydrophobicContact CB-CZ2 4.21Å; M66-W348 HydrophobicContact CE-CE3 4.41Å; M66-W348 HydrophobicContact CE-CH2 3.75Å; M66-W348 HydrophobicContact CE-CZ3 3.58Å; M66-W348 HydrophobicContact CG-CD2 4.5Å; M66-W348 HydrophobicContact CG-CE3 4.46Å; M66-W348 HydrophobicContact CG-CH2 3.52Å; M66-W348 HydrophobicContact CG-CZ2 3.56Å; M66-W348 HydrophobicContact CG-CZ3 3.99Å; M66-Y377 HydrophobicContact CE-CD1 3.17Å; M66-Y377 HydrophobicContact CE-CE1 3.32Å; M66-Y377 HydrophobicContact CE-CG 4.16Å; M66-Y377 HydrophobicContact SD-CE1 4.41Å; M66-Q378 HydrophobicContact CE-CB 4.24Å
67	G	95.9	Very high	96.5	Very high	46 Å²	46	63.5 Å²	63.5	47%	0.474	33%	0.327	S	S	.	.			trans	77.5	-152	178.4	0	0	0	0	0	112.2	A64 E65	A64-G67 PolarHBondContact O-N 2.75Å; A64-G67 VanDerWaalsContact O-N 3.14Å; E65-G67 PolarHBondContact O-N 2.81Å
68	R	96.7	Very high	96.3	Very high	159 Å²	159	61.3 Å²	61.3	60%	0.6	32%	0.316	S	S	*	.			trans	-82.4	130.1	-174.6	-60.5	171.2	176.3	169.6	-3.5	109.4	R70 D71	R68-R70 HydrophobicContact CB-CG 4.26Å; R68-R70 PolarHBondContact O-N 2.9Å; R68-R70 VanDerWaalsContact O-N 3.12Å; R68-D71 WeakPolarHBondContact O-CB 3.19Å; R68-D71 PolarHBondContact O-N 2.96Å
69	G	97.3	Very high	96.4	Very high	8 Å²	8	57.9 Å²	57.9	8%	0.082	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-54	-35.2	179.5	0	0	0	0	0	114.2	P48 L49 D71 W72	P48-G69 WeakPolarHBondContact CA-O 3.34Å; P48-G69 WeakPolarHBondContact CB-O 3.22Å; L49-G69 PolarHBondContact N-O 3.23Å; G69-D71 PolarHBondContact O-N 3.43Å; G69-W72 WeakPolarHBondContact O-CB 3.49Å; G69-W72 PolarHBondContact O-N 2.88Å; G69-W72 VanDerWaalsContact O-N 3.13Å
70	R	97	Very high	96.7	Very high	169 Å²	169	46.8 Å²	46.8	64%	0.638	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-66.7	-15.4	178.6	75.2	-177.9	-173	-174.5	4.1	115.3	R68 W72	R68-R70 HydrophobicContact CB-CG 4.26Å; R68-R70 PolarHBondContact O-N 2.9Å; R68-R70 VanDerWaalsContact O-N 3.12Å; R70-W72 PolarHBondContact O-N 3.07Å
71	D	97.6	Very high	96.7	Very high	62 Å²	62	44 Å²	44	33%	0.332	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-82.2	0.1	177.1	-58.9	-18.5	0	0	0	110.9	R68 G69 V343 A344 A345	R68-D71 WeakPolarHBondContact O-CB 3.19Å; R68-D71 PolarHBondContact O-N 2.96Å; G69-D71 PolarHBondContact O-N 3.43Å; D71-V343 CarbonylContact O-C 3.48Å; D71-A344 CarbonylContact O-C 3.5Å; D71-A344 WeakPolarHBondContact O-CA 3.31Å; D71-A344 PolarHBondContact O-N 3.09Å; D71-A344 VanDerWaalsContact O-N 3.17Å; D71-A345 HydrophobicContact CB-CB 4.24Å; D71-A345 PolarHBondContact O-N 2.72Å
72	W	98.2	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.			trans	-111	133	-179.7	-62.5	80.5	0	0	0	111.3	T47 L49 M66 G69 R70 V74 L303 V343 A344 A345 W348 V350	T47-W72 VanDerWaalsContact CB-O 3.31Å; T47-W72 WeakPolarHBondContact CB-O 3.49Å; T47-W72 PolarHBondContact OG1-O 3.21Å; L49-W72 HydrophobicContact CB-CB 3.91Å; L49-W72 HydrophobicContact CB-CG 3.84Å; L49-W72 HydrophobicContact CD1-CB 4.32Å; L49-W72 HydrophobicContact CD1-CD2 3.99Å; L49-W72 HydrophobicContact CD1-CE3 4.13Å; L49-W72 HydrophobicContact CD1-CG 4.11Å; L49-W72 HydrophobicContact CD2-CD2 4.03Å; L49-W72 HydrophobicContact CD2-CG 4.11Å; L49-W72 HydrophobicContact CD2-CZ2 4.27Å; L49-W72 HydrophobicContact CG-CD2 4.41Å; L49-W72 HydrophobicContact CG-CG 4.23Å; M66-W72 HydrophobicContact CB-CZ2 3.94Å; M66-W72 HydrophobicContact CG-CZ2 4.29Å; M66-W72 PolarHBondContact O-NE1 2.82Å; G69-W72 WeakPolarHBondContact O-CB 3.49Å; G69-W72 PolarHBondContact O-N 2.88Å; G69-W72 VanDerWaalsContact O-N 3.13Å; R70-W72 PolarHBondContact O-N 3.07Å; W72-V74 HydrophobicContact CE3-CG2 4.25Å; W72-L303 HydrophobicContact CH2-CD1 4.35Å; W72-L303 HydrophobicContact CZ3-CD1 4.16Å; W72-L303 HydrophobicContact CZ3-CD2 3.98Å; W72-L303 HydrophobicContact CZ3-CG 4.49Å; W72-V343 WeakPolarHBondContact CA-O 3.21Å; W72-A344 HydrophobicContact CD2-CB 4.24Å; W72-A344 HydrophobicContact CE3-CB 3.72Å; W72-A344 HydrophobicContact CH2-CB 4.27Å; W72-A344 HydrophobicContact CZ3-CB 3.73Å; W72-A345 HydrophobicContact CZ2-CB 4.24Å; W72-W348 HydrophobicContact CH2-CB 3.43Å; W72-W348 VanDerWaalsContact CH2-CB 3.43Å; W72-W348 AromaticContact CH2-CD2 3.72Å; W72-W348 HydrophobicContact CH2-CD2 3.72Å; W72-W348 AromaticContact CH2-CE3 3.68Å; W72-W348 HydrophobicContact CH2-CE3 3.68Å; W72-W348 AromaticContact CH2-CG 3.66Å; W72-W348 HydrophobicContact CH2-CG 3.66Å; W72-W348 HydrophobicContact CZ2-CB 3.69Å; W72-W348 AromaticContact CZ2-CD2 3.77Å; W72-W348 HydrophobicContact CZ2-CD2 3.77Å; W72-W348 HydrophobicContact CZ2-CE3 4.14Å; W72-W348 AromaticContact CZ2-CG 3.58Å; W72-W348 HydrophobicContact CZ2-CG 3.58Å; W72-W348 HydrophobicContact CZ3-CB 4.24Å; W72-V350 HydrophobicContact CE3-CG2 4.05Å; W72-V350 HydrophobicContact CZ3-CG2 3.84Å
73	N	97.5	Very high	96.4	Very high	22 Å²	22	38.1 Å²	38.1	12%	0.118	20%	0.203	C	C	.	.			trans	-135.6	93.3	172.2	-61.9	-68.1	0	0	0	107.3	T47 Y229 M342 V343	T47-N73 WeakPolarHBondContact CB-OD1 3.25Å; T47-N73 WeakPolarHBondContact CG2-OD1 3.41Å; T47-N73 PolarHBondContact OG1-OD1 3.12Å; T47-N73 VanDerWaalsContact OG1-OD1 3.09Å; N73-Y229 WeakPolarHBondContact CB-O 3.35Å; N73-M342 PolarHBondContact ND2-O 3.01Å; N73-V343 HydrophobicContact CB-CB 4.42Å; N73-V343 HydrophobicContact CB-CG1 4.32Å; N73-V343 PolarHBondContact N-O 3.18Å; N73-V343 VanDerWaalsContact O-CB 3.32Å; N73-V343 WeakPolarHBondContact O-CB 3.49Å
74	V	98.1	Very high	96.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	106.1	-169.8	-179.7	0	0	0	0	110.2	S45 L46 L52 W72 L76 I301 V350	S45-V74 WeakPolarHBondContact CA-O 3.24Å; L46-V74 PolarHBondContact N-O 2.89Å; L46-V74 PolarHBondContact O-N 3.09Å; L52-V74 HydrophobicContact CD1-CG1 4.05Å; L52-V74 HydrophobicContact CD2-CB 4.27Å; L52-V74 HydrophobicContact CD2-CG1 4.01Å; L52-V74 HydrophobicContact CD2-CG2 4.1Å; W72-V74 HydrophobicContact CE3-CG2 4.25Å; V74-L76 PolarHBondContact O-N 3.42Å; V74-I301 HydrophobicContact CG1-CD1 4.33Å; V74-I301 HydrophobicContact CG1-CG2 3.86Å; V74-V350 HydrophobicContact CG1-CG1 4.1Å; V74-V350 HydrophobicContact CG2-CG2 4.16Å
75	D	97.7	Very high	95.9	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	130.3	172.2	-63.5	-15.6	0	0	0	110.9	S45 I77 P78 Y226 L231 I352	S45-D75 WeakPolarHBondContact CB-OD1 3.31Å; S45-D75 PolarHBondContact OG-OD1 2.67Å; D75-I77 VanDerWaalsContact C-N 3.29Å; D75-P78 HydrophobicContact CB-CB 4.49Å; D75-Y226 VanDerWaalsContact CG-OH 3.28Å; D75-Y226 WeakPolarHBondContact OD2-CE2 3.35Å; D75-Y226 VanDerWaalsContact OD2-CZ 3.27Å; D75-Y226 PolarHBondContact OD2-OH 2.82Å; D75-L231 PolarHBondContact OD1-N 2.84Å; D75-L231 WeakPolarHBondContact OD2-CB 3.32Å; D75-L231 WeakPolarHBondContact OD2-CD1 3.3Å; D75-L231 WeakPolarHBondContact OD2-CG 3.24Å; D75-L231 PolarHBondContact OD2-N 3.02Å; D75-L231 VanDerWaalsContact OD2-N 3.1Å; D75-I352 WeakPolarHBondContact O-CD1 3.41Å
76	L	97.4	Very high	95.5	Very high	20 Å²	20	30.9 Å²	30.9	11%	0.105	15%	0.153	C	C	.	.	S	Bend	trans	-69.4	-30.8	172.5	-67.5	176.8	0	0	0	112.3	E42 A44 L46 K55 F56 V74 I301	E42-L76 WeakPolarHBondContact O-CB 3.2Å; A44-L76 WeakPolarHBondContact O-CG 3.41Å; A44-L76 PolarHBondContact O-N 2.84Å; L46-L76 HydrophobicContact CD1-CD2 3.85Å; L46-L76 HydrophobicContact CD1-CG 4.37Å; L46-L76 HydrophobicContact CG-CD2 4.27Å; L46-L76 HydrophobicContact CG-CG 4.29Å; K55-L76 HydrophobicContact CD-CD1 4.35Å; K55-L76 HydrophobicContact CD-CD2 4.18Å; F56-L76 HydrophobicContact CE2-CD2 3.84Å; F56-L76 HydrophobicContact CZ-CD2 4.06Å; V74-L76 PolarHBondContact O-N 3.42Å; L76-I301 HydrophobicContact CD2-CD1 4.01Å
77	I	96.4	Very high	95	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	-135	89.1	-178.3	-53.4	-175.5	0	0	0	109.3	E42 D75 K79 Y404	E42-I77 HydrophobicContact CB-CD1 4.39Å; E42-I77 HydrophobicContact CG-CD1 3.95Å; D75-I77 VanDerWaalsContact C-N 3.29Å; I77-K79 HydrophobicContact CG2-CG 4.31Å; I77-Y404 HydrophobicContact CD1-CD2 3.58Å; I77-Y404 HydrophobicContact CD1-CG 3.88Å; I77-Y404 HydrophobicContact CG2-CG 4.27Å
78	P	92.8	Very high	94.8	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.058	14%	0.136	C	C	.	.			trans	-77.8	131.7	-178.2	32.3	-36	0	0	0	110.5	D75 S335 I352	D75-P78 HydrophobicContact CB-CB 4.49Å; P78-S335 WeakPolarHBondContact CB-OG 3.31Å; P78-S335 WeakPolarHBondContact CG-OG 3.4Å; P78-I352 HydrophobicContact CB-CD1 4.35Å; P78-I352 HydrophobicContact CG-CB 3.66Å; P78-I352 HydrophobicContact CG-CD1 3.47Å; P78-I352 VanDerWaalsContact CG-CD1 3.47Å; P78-I352 HydrophobicContact CG-CG1 3.88Å; P78-I352 HydrophobicContact CG-CG2 4.05Å
79	K	96.2	Very high	94.3	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	13%	0.127	C	C	.	.			trans	-137.7	124.8	-178.7	-67	-77.5	-166.5	-85.3	0	108.3	I77 L231 D405 T407 H409 F410	I77-K79 HydrophobicContact CG2-CG 4.31Å; K79-L231 HydrophobicContact CB-CD1 4.05Å; K79-D405 PolarHBondContact NZ-O 2.93Å; K79-D405 IonicContact NZ-OD1 2.84Å; K79-D405 PolarHBondContact NZ-OD1 2.86Å; K79-T407 WeakPolarHBondContact CD-O 3.24Å; K79-T407 WeakPolarHBondContact CE-O 3.22Å; K79-T407 WeakPolarHBondContact CE-OG1 3.41Å; K79-T407 PolarHBondContact NZ-O 3.06Å; K79-H409 VanDerWaalsContact CD-O 3.25Å; K79-H409 WeakPolarHBondContact CD-O 3.27Å; K79-F410 HydrophobicContact CB-CD1 4.24Å; K79-F410 HydrophobicContact CB-CD2 3.53Å; K79-F410 HydrophobicContact CB-CE1 4.11Å; K79-F410 HydrophobicContact CB-CE2 3.39Å; K79-F410 HydrophobicContact CB-CG 3.97Å; K79-F410 HydrophobicContact CB-CZ 3.69Å; K79-F410 WeakPolarHBondContact O-CE2 3.47Å
80	F	96.7	Very high	93.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-90	139.3	174	-62	-38	0	0	0	111.7	I105 Y224 Y226 C317 Q318 V337 S408 H409 F410	F80-I105 HydrophobicContact CD1-CD1 3.83Å; F80-I105 HydrophobicContact CD1-CG1 3.83Å; F80-I105 HydrophobicContact CD2-CG1 4.36Å; F80-I105 HydrophobicContact CE1-CD1 3.46Å; F80-I105 VanDerWaalsContact CE1-CD1 3.46Å; F80-I105 HydrophobicContact CE1-CG1 3.91Å; F80-I105 HydrophobicContact CE2-CG1 4.41Å; F80-I105 HydrophobicContact CE2-CG2 4.39Å; F80-I105 HydrophobicContact CG-CG1 4.09Å; F80-I105 HydrophobicContact CZ-CD1 3.85Å; F80-I105 HydrophobicContact CZ-CG1 4.19Å; F80-Y224 HydrophobicContact CB-CD1 3.99Å; F80-Y224 HydrophobicContact CB-CG 4.03Å; F80-Y226 AromaticContact CD1-CD2 3.64Å; F80-Y226 HydrophobicContact CD1-CD2 3.64Å; F80-Y226 HydrophobicContact CD1-CE2 4.47Å; F80-Y226 HydrophobicContact CD1-CG 4.15Å; F80-Y226 AromaticContact CE1-CD2 3.74Å; F80-Y226 HydrophobicContact CE1-CD2 3.74Å; F80-Y226 HydrophobicContact CE1-CE2 4.31Å; F80-Y226 HydrophobicContact CE1-CG 4.14Å; F80-C317 WeakPolarHBondContact CE2-O 3.15Å; F80-Q318 HydrophobicContact CD2-CB 3.89Å; F80-Q318 HydrophobicContact CD2-CG 4.16Å; F80-Q318 HydrophobicContact CE2-CB 3.76Å; F80-Q318 HydrophobicContact CE2-CG 4.23Å; F80-V337 HydrophobicContact CE1-CG1 3.91Å; F80-V337 HydrophobicContact CZ-CG1 4.2Å; F80-S408 PolarHBondContact N-O 3.44Å; F80-H409 WeakPolarHBondContact O-CA 3.43Å; F80-F410 PolarHBondContact O-N 2.98Å
81	L	95.3	Very high	93.1	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131	177.8	-64.6	85	0	0	0	109	A83 L87 V88 L91 F102 Y224 L225 L231 F410	L81-A83 PolarHBondContact O-N 2.84Å; L81-L87 HydrophobicContact CD2-CD2 3.7Å; L81-L87 HydrophobicContact CD2-CG 3.9Å; L81-L87 HydrophobicContact CG-CD2 4.01Å; L81-V88 HydrophobicContact CB-CG2 3.92Å; L81-V88 HydrophobicContact CD2-CG2 4.02Å; L81-L91 HydrophobicContact CD2-CD1 3.55Å; L81-F102 HydrophobicContact CD1-CE1 4.16Å; L81-F102 HydrophobicContact CD2-CE1 3.99Å; L81-Y224 CarbonylContact O-C 3.45Å; L81-Y224 VanDerWaalsContact O-CA 3.3Å; L81-Y224 WeakPolarHBondContact O-CA 3.37Å; L81-L225 HydrophobicContact CB-CB 4.3Å; L81-L225 PolarHBondContact N-O 3.47Å; L81-L225 PolarHBondContact O-N 3.43Å; L81-L231 HydrophobicContact CD1-CD2 4.36Å; L81-F410 HydrophobicContact CB-CD2 4.43Å; L81-F410 HydrophobicContact CD1-CD2 3.89Å; L81-F410 HydrophobicContact CD1-CE2 3.62Å; L81-F410 HydrophobicContact CG-CD2 3.67Å; L81-F410 HydrophobicContact CG-CE2 3.86Å
82	M	94.6	Very high	92.6	Very high	27 Å²	27	19.6 Å²	19.6	13%	0.133	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.2	168.5	-176.4	65.6	73.2	0	0	108.9	N84 G85 V88 L191 L211 Y212 S215 P223 Y224	M82-N84 VanDerWaalsContact C-N 3.33Å; M82-N84 PolarHBondContact O-N 3.4Å; M82-G85 WeakPolarHBondContact O-CA 3.34Å; M82-G85 PolarHBondContact O-N 2.83Å; M82-V88 VanDerWaalsContact O-CG2 3.23Å; M82-V88 WeakPolarHBondContact O-CG2 3.08Å; M82-L191 HydrophobicContact CE-CD1 3.48Å; M82-L191 VanDerWaalsContact CE-CD1 3.48Å; M82-L211 HydrophobicContact CG-CD1 4.33Å; M82-L211 HydrophobicContact CG-CD2 4.14Å; M82-L211 HydrophobicContact CG-CG 3.96Å; M82-Y212 HydrophobicContact CE-CD2 4.04Å; M82-S215 WeakPolarHBondContact CG-OG 3.41Å; M82-S215 VanDerWaalsContact SD-CB 3.57Å; M82-S215 PolarHBondContact SD-OG 2.91Å; M82-S215 VanDerWaalsContact SD-OG 3.39Å; M82-P223 HydrophobicContact SD-CB 3.71Å; M82-P223 HydrophobicContact SD-CG 4.22Å; M82-Y224 HydrophobicContact CE-CE1 3.82Å; M82-Y224 HydrophobicContact SD-CE1 4.35Å
83	A	92.7	Very high	91.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-38	-169.6	0	0	0	0	0	115.3	L81 V88 Y219 P223 L225	L81-A83 PolarHBondContact O-N 2.84Å; A83-V88 VanDerWaalsContact O-CG1 3.3Å; A83-V88 WeakPolarHBondContact O-CG1 3.38Å; A83-Y219 HydrophobicContact CB-CD2 3.43Å; A83-Y219 VanDerWaalsContact CB-CD2 3.43Å; A83-Y219 HydrophobicContact CB-CE2 3.31Å; A83-P223 VanDerWaalsContact CB-O 3.31Å; A83-P223 WeakPolarHBondContact CB-O 3.13Å; A83-P223 PolarHBondContact N-O 2.92Å; A83-L225 HydrophobicContact CB-CD1 4.2Å; A83-L225 HydrophobicContact CB-CG 4.12Å
84	N	91.2	Very high	90.8	Very high	40 Å²	40	19.5 Å²	19.5	21%	0.214	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	12.7	173	-71.3	-15.7	0	0	0	112.8	M82 K89 L211 A214 S215 R218	M82-N84 VanDerWaalsContact C-N 3.33Å; M82-N84 PolarHBondContact O-N 3.4Å; N84-K89 WeakPolarHBondContact O-CE 3.38Å; N84-L211 HydrophobicContact CB-CD1 3.87Å; N84-L211 VanDerWaalsContact O-CD1 3.28Å; N84-L211 WeakPolarHBondContact O-CD1 3.34Å; N84-A214 PolarHBondContact ND2-O 2.71Å; N84-S215 WeakPolarHBondContact CB-OG 3.16Å; N84-S215 PolarHBondContact N-OG 3.04Å; N84-R218 VanDerWaalsContact OD1-CD 3.29Å; N84-R218 WeakPolarHBondContact OD1-CD 3.35Å; N84-R218 PolarHBondContact OD1-NH1 3.48Å
85	G	91.1	Very high	89.8	Confident	8 Å²	8	20 Å²	20	8%	0.082	11%	0.105	C	C	.	.	S	Bend	trans	-73.2	164.9	178.6	0	0	0	0	0	112.9	M82 L87 V88 K89	M82-G85 WeakPolarHBondContact O-CA 3.34Å; M82-G85 PolarHBondContact O-N 2.83Å; G85-L87 VanDerWaalsContact C-N 3.32Å; G85-L87 PolarHBondContact O-N 2.9Å; G85-V88 PolarHBondContact O-N 3.26Å; G85-V88 VanDerWaalsContact O-N 3.12Å; G85-K89 PolarHBondContact O-N 3.48Å
86	E	87.1	Confident	89.1	Confident	69 Å²	69	19.8 Å²	19.8	32%	0.322	11%	0.105	S	C	.	.	H	α-helix	trans	-60.2	-36.6	-173.6	-62.3	-50.9	141.1	0	0	113.9	V88 K89 L90 F431	E86-V88 VanDerWaalsContact C-N 3.34Å; E86-V88 PolarHBondContact O-N 3.24Å; E86-K89 WeakPolarHBondContact O-CB 3.37Å; E86-K89 PolarHBondContact O-N 3.04Å; E86-K89 IonicContact OE1-NZ 3.47Å; E86-K89 PolarHBondContact OE1-NZ 3.27Å; E86-K89 WeakPolarHBondContact OE2-CD 3.3Å; E86-K89 IonicContact OE2-NZ 3.3Å; E86-K89 PolarHBondContact OE2-NZ 2.8Å; E86-L90 PolarHBondContact O-N 2.92Å; E86-F431 HydrophobicContact CB-CE1 4.23Å; E86-F431 HydrophobicContact CB-CE2 4.49Å; E86-F431 HydrophobicContact CB-CZ 3.78Å; E86-F431 HydrophobicContact CG-CZ 4.31Å; E86-F431 WeakPolarHBondContact O-CE1 3.31Å
87	L	88.2	Confident	88.4	Confident	11 Å²	11	21.2 Å²	21.2	6%	0.058	11%	0.114	C	C	.	.	H	α-helix	trans	-63.4	-38.7	176.7	-178.4	59	0	0	0	112.6	I18 L81 G85 K89 L90 L91 F238 F410 C414	I18-L87 HydrophobicContact CD1-CD1 3.86Å; I18-L87 HydrophobicContact CG1-CD1 4.29Å; L81-L87 HydrophobicContact CD2-CD2 3.7Å; L81-L87 HydrophobicContact CD2-CG 3.9Å; L81-L87 HydrophobicContact CG-CD2 4.01Å; G85-L87 VanDerWaalsContact C-N 3.32Å; G85-L87 PolarHBondContact O-N 2.9Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-L90 HydrophobicContact CD1-CD2 4.32Å; L87-L90 WeakPolarHBondContact O-CB 3.35Å; L87-L90 PolarHBondContact O-N 2.85Å; L87-L91 HydrophobicContact CD1-CG 4.43Å; L87-L91 HydrophobicContact CG-CD1 4.22Å; L87-L91 VanDerWaalsContact O-CG 3.25Å; L87-L91 WeakPolarHBondContact O-CG 3.36Å; L87-L91 PolarHBondContact O-N 2.98Å; L87-F238 HydrophobicContact CD1-CE2 4.41Å; L87-F238 HydrophobicContact CD1-CZ 4.21Å; L87-F410 HydrophobicContact CD2-CB 4.2Å; L87-F410 HydrophobicContact CD2-CD1 3.66Å; L87-F410 HydrophobicContact CD2-CD2 4.09Å; L87-F410 HydrophobicContact CD2-CE1 3.98Å; L87-F410 HydrophobicContact CD2-CE2 4.36Å; L87-F410 HydrophobicContact CD2-CG 3.72Å; L87-F410 HydrophobicContact CD2-CZ 4.32Å; L87-C414 VanDerWaalsContact CB-SG 3.57Å
88	V	90.2	Very high	87.7	Confident	11 Å²	11	25.1 Å²	25.1	7%	0.067	13%	0.128	C	C	.	.	H	α-helix	trans	-67.5	-39.1	176.6	177.3	0	0	0	0	110.3	L81 M82 A83 G85 E86 L90 L91 L92 L225	L81-V88 HydrophobicContact CB-CG2 3.92Å; L81-V88 HydrophobicContact CD2-CG2 4.02Å; M82-V88 VanDerWaalsContact O-CG2 3.23Å; M82-V88 WeakPolarHBondContact O-CG2 3.08Å; A83-V88 VanDerWaalsContact O-CG1 3.3Å; A83-V88 WeakPolarHBondContact O-CG1 3.38Å; G85-V88 PolarHBondContact O-N 3.26Å; G85-V88 VanDerWaalsContact O-N 3.12Å; E86-V88 VanDerWaalsContact C-N 3.34Å; E86-V88 PolarHBondContact O-N 3.24Å; V88-L90 VanDerWaalsContact C-N 3.34Å; V88-L90 PolarHBondContact O-N 3.19Å; V88-L91 PolarHBondContact O-N 3Å; V88-L92 HydrophobicContact CG1-CD1 3.92Å; V88-L92 HydrophobicContact CG1-CG 4.35Å; V88-L92 WeakPolarHBondContact O-CB 3.44Å; V88-L92 VanDerWaalsContact O-CG 3.29Å; V88-L92 WeakPolarHBondContact O-CG 3.41Å; V88-L92 PolarHBondContact O-N 2.93Å; V88-L225 HydrophobicContact CG1-CD1 4.44Å; V88-L225 HydrophobicContact CG2-CD1 4.2Å
89	K	87.2	Confident	87	Confident	96 Å²	96	30.4 Å²	30.4	42%	0.417	15%	0.148	S	C	.	.	H	α-helix	trans	-60.6	-43.7	173.8	-62.1	-179.5	-165.7	162.1	0	111.4	N84 G85 E86 L87 L92 S93 F431	N84-K89 WeakPolarHBondContact O-CE 3.38Å; G85-K89 PolarHBondContact O-N 3.48Å; E86-K89 WeakPolarHBondContact O-CB 3.37Å; E86-K89 PolarHBondContact O-N 3.04Å; E86-K89 IonicContact OE1-NZ 3.47Å; E86-K89 PolarHBondContact OE1-NZ 3.27Å; E86-K89 WeakPolarHBondContact OE2-CD 3.3Å; E86-K89 IonicContact OE2-NZ 3.3Å; E86-K89 PolarHBondContact OE2-NZ 2.8Å; L87-K89 VanDerWaalsContact C-N 3.33Å; K89-L92 PolarHBondContact O-N 3.31Å; K89-S93 WeakPolarHBondContact O-CB 3.33Å; K89-S93 PolarHBondContact O-N 3.45Å; K89-S93 PolarHBondContact O-OG 2.95Å; K89-F431 HydrophobicContact CB-CD1 4.34Å
90	L	83.3	Confident	86.7	Confident	6 Å²	6	30.8 Å²	30.8	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-59.4	-47.9	175.2	-178.2	64.9	0	0	0	111.8	I18 M22 E86 L87 V88 L92 S93 T94 F238 F429 F431 I434	I18-L90 HydrophobicContact CG2-CD2 3.55Å; M22-L90 HydrophobicContact CG-CD1 4.14Å; M22-L90 HydrophobicContact CG-CD2 4Å; M22-L90 HydrophobicContact SD-CD2 4.13Å; E86-L90 PolarHBondContact O-N 2.92Å; L87-L90 HydrophobicContact CD1-CD2 4.32Å; L87-L90 WeakPolarHBondContact O-CB 3.35Å; L87-L90 PolarHBondContact O-N 2.85Å; V88-L90 VanDerWaalsContact C-N 3.34Å; V88-L90 PolarHBondContact O-N 3.19Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.07Å; L90-S93 PolarHBondContact O-N 3.37Å; L90-S93 PolarHBondContact O-OG 2.92Å; L90-S93 VanDerWaalsContact O-OG 3.07Å; L90-T94 HydrophobicContact CD1-CG2 3.79Å; L90-T94 HydrophobicContact CG-CG2 4.32Å; L90-T94 WeakPolarHBondContact O-CB 3.43Å; L90-T94 WeakPolarHBondContact O-CG2 3.18Å; L90-T94 PolarHBondContact O-N 2.96Å; L90-T94 PolarHBondContact O-OG1 3.27Å; L90-F238 HydrophobicContact CD2-CE1 3.89Å; L90-F238 HydrophobicContact CD2-CZ 3.88Å; L90-F238 HydrophobicContact CG-CE1 4.25Å; L90-F238 HydrophobicContact CG-CZ 4.32Å; L90-F429 HydrophobicContact CD1-CE1 3.61Å; L90-F429 HydrophobicContact CD1-CZ 3.65Å; L90-F431 HydrophobicContact CB-CE1 4.09Å; L90-I434 HydrophobicContact CD1-CD1 4.13Å
91	L	86.8	Confident	86.5	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-41.4	-179.9	-71	167.8	0	0	0	112	L81 L87 V88 T94 G95 V96 T97 F102 L234 F238	L81-L91 HydrophobicContact CD2-CD1 3.55Å; L87-L91 HydrophobicContact CD1-CG 4.43Å; L87-L91 HydrophobicContact CG-CD1 4.22Å; L87-L91 VanDerWaalsContact O-CG 3.25Å; L87-L91 WeakPolarHBondContact O-CG 3.36Å; L87-L91 PolarHBondContact O-N 2.98Å; V88-L91 PolarHBondContact O-N 3Å; L91-T94 PolarHBondContact O-OG1 3.13Å; L91-G95 PolarHBondContact O-N 3.39Å; L91-V96 HydrophobicContact CD2-CB 3.96Å; L91-V96 HydrophobicContact CD2-CG1 3.67Å; L91-V96 PolarHBondContact O-N 2.92Å; L91-T97 HydrophobicContact CB-CG2 3.91Å; L91-T97 PolarHBondContact O-N 3.09Å; L91-F102 HydrophobicContact CD1-CE1 4.26Å; L91-F102 HydrophobicContact CD1-CE2 4.38Å; L91-F102 HydrophobicContact CD1-CZ 3.67Å; L91-L234 HydrophobicContact CD1-CD2 4.01Å; L91-L234 HydrophobicContact CD2-CD2 3.96Å; L91-F238 HydrophobicContact CD2-CE2 3.6Å; L91-F238 HydrophobicContact CD2-CZ 3.6Å; L91-F238 HydrophobicContact CG-CZ 4.34Å
92	L	85.9	Confident	86.4	Confident	81 Å²	81	40.3 Å²	40.3	42%	0.424	19%	0.194	S	C	.	.	H	α-helix	trans	-67.8	-45.8	178.6	-73.7	169.1	0	0	0	111.9	V88 K89 L90 G95 T97	V88-L92 HydrophobicContact CG1-CD1 3.92Å; V88-L92 HydrophobicContact CG1-CG 4.35Å; V88-L92 WeakPolarHBondContact O-CB 3.44Å; V88-L92 VanDerWaalsContact O-CG 3.29Å; V88-L92 WeakPolarHBondContact O-CG 3.41Å; V88-L92 PolarHBondContact O-N 2.93Å; K89-L92 PolarHBondContact O-N 3.31Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.07Å; L92-G95 PolarHBondContact O-N 2.65Å; L92-T97 HydrophobicContact CD2-CG2 3.98Å; L92-T97 HydrophobicContact CG-CG2 4.36Å
93	S	80.5	Confident	86.4	Confident	17 Å²	17	42.4 Å²	42.4	12%	0.119	20%	0.202	C	C	.	.	H	α-helix	trans	-71.1	-36.8	-175.4	63.1	0	0	0	0	112	K89 L90 G95 I434	K89-S93 WeakPolarHBondContact O-CB 3.33Å; K89-S93 PolarHBondContact O-N 3.45Å; K89-S93 PolarHBondContact O-OG 2.95Å; L90-S93 PolarHBondContact O-N 3.37Å; L90-S93 PolarHBondContact O-OG 2.92Å; L90-S93 VanDerWaalsContact O-OG 3.07Å; S93-G95 VanDerWaalsContact C-N 3.26Å; S93-G95 PolarHBondContact O-N 2.96Å; S93-I434 VanDerWaalsContact CB-CG2 3.47Å; S93-I434 WeakPolarHBondContact O-CG2 3.43Å; S93-I434 WeakPolarHBondContact OG-CD1 3.42Å
94	T	77.3	Confident	86.5	Confident	4 Å²	4	43.6 Å²	43.6	3%	0.025	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-9.6	177.7	57.3	0	0	0	0	113.8	V25 L90 L91 V96 L241 I434	V25-T94 HydrophobicContact CG2-CG2 4.28Å; L90-T94 HydrophobicContact CD1-CG2 3.79Å; L90-T94 HydrophobicContact CG-CG2 4.32Å; L90-T94 WeakPolarHBondContact O-CB 3.43Å; L90-T94 WeakPolarHBondContact O-CG2 3.18Å; L90-T94 PolarHBondContact O-N 2.96Å; L90-T94 PolarHBondContact O-OG1 3.27Å; L91-T94 PolarHBondContact O-OG1 3.13Å; T94-V96 PolarHBondContact O-N 3.45Å; T94-V96 WeakPolarHBondContact OG1-CG2 3.48Å; T94-L241 HydrophobicContact CG2-CD1 4.48Å; T94-L241 HydrophobicContact CG2-CD2 3.67Å; T94-L241 WeakPolarHBondContact O-CD1 3.32Å; T94-I434 HydrophobicContact CG2-CD1 4.42Å
95	G	77.9	Confident	86.7	Confident	10 Å²	10	41.7 Å²	41.7	10%	0.103	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	9.9	-177.4	0	0	0	0	0	114.1	L91 L92 S93 T97 R98	L91-G95 PolarHBondContact O-N 3.39Å; L92-G95 PolarHBondContact O-N 2.65Å; S93-G95 VanDerWaalsContact C-N 3.26Å; S93-G95 PolarHBondContact O-N 2.96Å; G95-T97 PolarHBondContact O-N 3.43Å; G95-R98 VanDerWaalsContact O-CB 3.24Å; G95-R98 WeakPolarHBondContact O-CB 3.28Å; G95-R98 WeakPolarHBondContact O-CG 3.44Å; G95-R98 PolarHBondContact O-N 3Å
96	V	81.6	Confident	86.9	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-59.1	-30.6	174.6	173	0	0	0	0	111.1	L91 T94 R98 Y99 L100 L241	L91-V96 HydrophobicContact CD2-CB 3.96Å; L91-V96 HydrophobicContact CD2-CG1 3.67Å; L91-V96 PolarHBondContact O-N 2.92Å; T94-V96 PolarHBondContact O-N 3.45Å; T94-V96 WeakPolarHBondContact OG1-CG2 3.48Å; V96-R98 PolarHBondContact O-N 2.85Å; V96-Y99 PolarHBondContact O-N 3.36Å; V96-L100 HydrophobicContact CG1-CD1 3.61Å; V96-L100 HydrophobicContact CG1-CG 4.09Å; V96-L100 PolarHBondContact O-N 2.91Å; V96-L241 HydrophobicContact CG2-CB 3.8Å; V96-L241 HydrophobicContact CG2-CD1 4.25Å; V96-L241 HydrophobicContact CG2-CD2 3.86Å; V96-L241 HydrophobicContact CG2-CG 4.18Å
97	T	83.1	Confident	87.2	Confident	49 Å²	49	40.3 Å²	40.3	30%	0.301	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-62.9	-9.1	174.3	57.3	0	0	0	0	114.5	L91 L92 G95 Y99 F102	L91-T97 HydrophobicContact CB-CG2 3.91Å; L91-T97 PolarHBondContact O-N 3.09Å; L92-T97 HydrophobicContact CD2-CG2 3.98Å; L92-T97 HydrophobicContact CG-CG2 4.36Å; G95-T97 PolarHBondContact O-N 3.43Å; T97-Y99 PolarHBondContact O-N 2.93Å; T97-F102 HydrophobicContact CG2-CE2 4.17Å
98	R	81.5	Confident	87.6	Confident	84 Å²	84	40 Å²	40	32%	0.317	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-67.8	-20.7	170.2	-65	177.4	-176.5	-155.8	-0.1	112.5	G95 V96 L437 Q438 L439	G95-R98 VanDerWaalsContact O-CB 3.24Å; G95-R98 WeakPolarHBondContact O-CB 3.28Å; G95-R98 WeakPolarHBondContact O-CG 3.44Å; G95-R98 PolarHBondContact O-N 3Å; V96-R98 PolarHBondContact O-N 2.85Å; R98-L437 PolarHBondContact NH2-O 2.76Å; R98-Q438 PolarHBondContact NH2-O 3.04Å; R98-L439 HydrophobicContact CG-CD2 3.94Å; R98-L439 VanDerWaalsContact CZ-CD2 3.49Å; R98-L439 VanDerWaalsContact NE-CD2 3.29Å
99	Y	79.5	Confident	87.8	Confident	120 Å²	120	39.9 Å²	39.9	47%	0.471	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-11.4	-176.8	-42.9	-69.3	0	0	0	112.5	V96 T97 R240	V96-Y99 PolarHBondContact O-N 3.36Å; T97-Y99 PolarHBondContact O-N 2.93Å; Y99-R240 HydrophobicContact CE2-CG 4.4Å
100	L	89.3	Confident	88.3	Confident	10 Å²	10	35.4 Å²	35.4	5%	0.052	17%	0.17	C	C	.	.			trans	-120.2	122.6	-175.7	-63.5	-172.6	0	0	0	110.9	V96 F102 E233 L234	V96-L100 HydrophobicContact CG1-CD1 3.61Å; V96-L100 HydrophobicContact CG1-CG 4.09Å; V96-L100 PolarHBondContact O-N 2.91Å; L100-F102 HydrophobicContact CB-CD2 4.41Å; L100-F102 HydrophobicContact CB-CE2 3.62Å; L100-F102 HydrophobicContact CB-CZ 4.1Å; L100-F102 HydrophobicContact CD1-CE2 4.4Å; L100-F102 HydrophobicContact CD1-CZ 4.11Å; L100-E233 HydrophobicContact CD2-CB 3.57Å; L100-L234 HydrophobicContact CD1-CD2 3.74Å
101	E	92.2	Very high	88.9	Confident	145 Å²	145	36.7 Å²	36.7	68%	0.678	17%	0.174	S	C	*	.			trans	-94.4	135	170	-70.1	-174.3	-149.6	0	0	110.4	P227 L228	E101-P227 WeakPolarHBondContact O-CA 3.45Å; E101-L228 HydrophobicContact CB-CB 4.48Å; E101-L228 HydrophobicContact CB-CD1 3.78Å; E101-L228 HydrophobicContact CB-CG 4.14Å; E101-L228 PolarHBondContact O-N 2.92Å
102	F	93.4	Very high	89.3	Confident	56 Å²	56	38.6 Å²	38.6	25%	0.246	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145	179.2	-68.9	-93	0	0	0	111	L81 L91 T97 L100 L225 P227 L234	L81-F102 HydrophobicContact CD1-CE1 4.16Å; L81-F102 HydrophobicContact CD2-CE1 3.99Å; L91-F102 HydrophobicContact CD1-CE1 4.26Å; L91-F102 HydrophobicContact CD1-CE2 4.38Å; L91-F102 HydrophobicContact CD1-CZ 3.67Å; T97-F102 HydrophobicContact CG2-CE2 4.17Å; L100-F102 HydrophobicContact CB-CD2 4.41Å; L100-F102 HydrophobicContact CB-CE2 3.62Å; L100-F102 HydrophobicContact CB-CZ 4.1Å; L100-F102 HydrophobicContact CD1-CE2 4.4Å; L100-F102 HydrophobicContact CD1-CZ 4.11Å; F102-L225 HydrophobicContact CB-CB 4.49Å; F102-L225 HydrophobicContact CD1-CB 4.37Å; F102-P227 HydrophobicContact CD1-CB 4.25Å; F102-P227 HydrophobicContact CE1-CB 4.02Å; F102-P227 HydrophobicContact CE1-CG 4.47Å; F102-L234 HydrophobicContact CE1-CD2 4.41Å; F102-L234 HydrophobicContact CZ-CD2 4.07Å
103	K	94	Very high	89.5	Confident	70 Å²	70	37.9 Å²	37.9	30%	0.304	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.5	172.8	-170.8	165.5	-172.3	145.8	0	110.7	L225 Y226 L228 V340	K103-L225 WeakPolarHBondContact O-CA 3.4Å; K103-Y226 PolarHBondContact N-O 3.08Å; K103-Y226 PolarHBondContact O-N 2.85Å; K103-L228 HydrophobicContact CB-CD2 3.83Å; K103-L228 HydrophobicContact CD-CD2 4.09Å; K103-V340 HydrophobicContact CD-CG2 4.46Å; K103-V340 WeakPolarHBondContact CD-O 3.37Å; K103-V340 VanDerWaalsContact CE-O 3.29Å; K103-V340 WeakPolarHBondContact CE-O 3.39Å; K103-V340 PolarHBondContact NZ-O 3.22Å
104	S	95.1	Very high	90	Very high	26 Å²	26	39.2 Å²	39.2	18%	0.182	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	135.7	170.7	179	0	0	0	0	110.7	Y224	S104-Y224 WeakPolarHBondContact CA-O 3.35Å
105	I	96.3	Very high	90.7	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.			trans	-71.1	136.8	173.2	-61.6	-60.5	0	0	0	109	F80 G107 S222 Y224 Y226 S316 V337	F80-I105 HydrophobicContact CD1-CD1 3.83Å; F80-I105 HydrophobicContact CD1-CG1 3.83Å; F80-I105 HydrophobicContact CD2-CG1 4.36Å; F80-I105 HydrophobicContact CE1-CD1 3.46Å; F80-I105 VanDerWaalsContact CE1-CD1 3.46Å; F80-I105 HydrophobicContact CE1-CG1 3.91Å; F80-I105 HydrophobicContact CE2-CG1 4.41Å; F80-I105 HydrophobicContact CE2-CG2 4.39Å; F80-I105 HydrophobicContact CG-CG1 4.09Å; F80-I105 HydrophobicContact CZ-CD1 3.85Å; F80-I105 HydrophobicContact CZ-CG1 4.19Å; I105-G107 VanDerWaalsContact C-N 3.34Å; I105-G107 PolarHBondContact O-N 3.48Å; I105-S222 WeakPolarHBondContact CB-OG 3.34Å; I105-S222 VanDerWaalsContact O-CB 3.27Å; I105-S222 WeakPolarHBondContact O-CB 3.46Å; I105-S222 PolarHBondContact O-OG 3.01Å; I105-Y224 PolarHBondContact N-O 2.92Å; I105-Y226 HydrophobicContact CD1-CG 4.37Å; I105-S316 WeakPolarHBondContact CA-OG 3.35Å; I105-V337 HydrophobicContact CD1-CG1 4.36Å
106	E	95.3	Very high	91.5	Very high	48 Å²	48	45.1 Å²	45.1	22%	0.224	24%	0.235	C	C	.	.	S	Bend	trans	-77.4	-16.9	-169	-64.9	-173.7	174.7	0	0	114.6	K221 K315 S316	E106-K221 HydrophobicContact CB-CD 4.49Å; E106-K221 HydrophobicContact CG-CD 4.47Å; E106-K315 WeakPolarHBondContact OE2-CB 3.39Å; E106-K315 PolarHBondContact OE2-N 3.29Å; E106-S316 WeakPolarHBondContact CB-O 3.43Å; E106-S316 PolarHBondContact N-O 3.2Å; E106-S316 VanDerWaalsContact N-O 3.13Å; E106-S316 PolarHBondContact N-OG 2.74Å; E106-S316 VanDerWaalsContact N-OG 3.07Å
107	G	93.6	Very high	92.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	149.4	177.2	0	0	0	0	0	114.7	I105 S316 C317 Q318	I105-G107 VanDerWaalsContact C-N 3.34Å; I105-G107 PolarHBondContact O-N 3.48Å; G107-S316 PolarHBondContact N-O 3.39Å; G107-C317 CarbonylContact O-C 3.57Å; G107-C317 WeakPolarHBondContact O-CA 3.47Å; G107-C317 WeakPolarHBondContact O-CB 3.29Å; G107-Q318 PolarHBondContact O-N 3.21Å
108	S	95.2	Very high	92.6	Very high	4 Å²	4	49 Å²	49	3%	0.028	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.9	169.2	179.1	0	0	0	0	108.1	V119 Y212	S108-V119 PolarHBondContact O-N 3.49Å; S108-Y212 WeakPolarHBondContact CB-OH 3.48Å; S108-Y212 PolarHBondContact OG-OH 3.36Å
109	Y	95.9	Very high	93	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.035	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.6	-172.1	-56.4	-88.6	0	0	0	112.1	V116 Y117 K118 T311 S314 C317 Q318 I319 I320	Y109-V116 HydrophobicContact CD1-CG1 3.9Å; Y109-V116 HydrophobicContact CG-CG1 3.78Å; Y109-Y117 CarbonylContact C-O 3.49Å; Y109-Y117 WeakPolarHBondContact CA-O 3.44Å; Y109-Y117 WeakPolarHBondContact CB-O 3.31Å; Y109-K118 HydrophobicContact CD1-CB 4.16Å; Y109-K118 HydrophobicContact CE1-CB 4.09Å; Y109-K118 HydrophobicContact CE1-CG 4.48Å; Y109-T311 HydrophobicContact CD2-CG2 4.16Å; Y109-T311 HydrophobicContact CE2-CG2 3.99Å; Y109-T311 VanDerWaalsContact OH-C 3.28Å; Y109-T311 PolarHBondContact OH-O 2.96Å; Y109-S314 PolarHBondContact OH-OG 2.7Å; Y109-C317 HydrophobicContact CD2-CB 3.78Å; Y109-C317 HydrophobicContact CE2-CB 3.58Å; Y109-Q318 PolarHBondContact N-O 2.97Å; Y109-I319 HydrophobicContact CD2-CG1 4.44Å; Y109-I319 WeakPolarHBondContact O-CA 3.45Å; Y109-I320 PolarHBondContact O-N 3.34Å
110	V	96.4	Very high	93.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.3	174.1	65.1	0	0	0	0	110.2	Y117 V119 L131 F184 A188 I320 P322	V110-Y117 PolarHBondContact N-O 2.56Å; V110-Y117 PolarHBondContact O-N 2.94Å; V110-V119 HydrophobicContact CB-CG2 4.01Å; V110-V119 HydrophobicContact CG1-CG2 4.11Å; V110-L131 HydrophobicContact CG1-CD1 3.94Å; V110-L131 HydrophobicContact CG1-CD2 3.76Å; V110-F184 HydrophobicContact CG1-CB 4.18Å; V110-F184 HydrophobicContact CG2-CB 3.95Å; V110-A188 HydrophobicContact CB-CB 4.1Å; V110-A188 HydrophobicContact CG2-CB 4.18Å; V110-I320 CarbonylContact C-O 3.58Å; V110-I320 WeakPolarHBondContact CA-O 3.34Å; V110-P322 HydrophobicContact CG2-CG 3.71Å
111	Y	96.6	Very high	92.7	Very high	34 Å²	34	39.2 Å²	39.2	13%	0.133	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.2	174.2	175.3	-88	0	0	0	111.2	G114 K115 I320 I321 Q325 V326 L372	Y111-G114 VanDerWaalsContact CE2-CA 3.46Å; Y111-G114 VanDerWaalsContact CZ-CA 3.46Å; Y111-G114 VanDerWaalsContact CZ-N 3.29Å; Y111-G114 WeakPolarHBondContact OH-CA 3.4Å; Y111-G114 PolarHBondContact OH-N 2.97Å; Y111-K115 CarbonylContact C-O 3.55Å; Y111-K115 VanDerWaalsContact CA-O 3.31Å; Y111-K115 WeakPolarHBondContact CA-O 3.32Å; Y111-I320 PolarHBondContact N-O 2.94Å; Y111-I321 HydrophobicContact CD1-CG2 3.7Å; Y111-I321 HydrophobicContact CE1-CG2 4.27Å; Y111-I321 HydrophobicContact CG-CG1 4.27Å; Y111-I321 HydrophobicContact CG-CG2 4.02Å; Y111-Q325 HydrophobicContact CD1-CB 3.72Å; Y111-Q325 HydrophobicContact CD1-CG 4.22Å; Y111-Q325 HydrophobicContact CE1-CB 3.79Å; Y111-V326 HydrophobicContact CE1-CG1 4.31Å; Y111-L372 HydrophobicContact CD2-CD1 3.82Å; Y111-L372 HydrophobicContact CD2-CD2 3.95Å; Y111-L372 HydrophobicContact CD2-CG 4.4Å; Y111-L372 HydrophobicContact CE2-CD1 4.46Å; Y111-L372 HydrophobicContact CE2-CD2 3.99Å
112	K	94.4	Very high	91.9	Very high	41 Å²	41	35.1 Å²	35.1	18%	0.178	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	126.5	172.3	-179.3	178.3	179.8	172.3	0	109.9	G114 K115 Y117 L131	K112-G114 VanDerWaalsContact C-N 3.34Å; K112-G114 PolarHBondContact O-N 2.92Å; K112-K115 PolarHBondContact N-O 2.82Å; K112-K115 PolarHBondContact O-N 3.38Å; K112-K115 VanDerWaalsContact O-N 3.1Å; K112-Y117 HydrophobicContact CB-CD2 3.99Å; K112-Y117 HydrophobicContact CB-CE2 3.92Å; K112-Y117 WeakPolarHBondContact O-CE2 3.29Å; K112-L131 HydrophobicContact CB-CD1 3.85Å; K112-L131 HydrophobicContact CD-CD1 3.56Å; K112-L131 HydrophobicContact CD-CG 4.4Å; K112-L131 HydrophobicContact CG-CD1 4.36Å; K112-L131 PolarHBondContact NZ-O 2.81Å
113	G	90.8	Very high	91.2	Very high	66 Å²	66	36.6 Å²	36.6	68%	0.68	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	44.1	172	0	0	0	0	0	115.2	Q325	G113-Q325 VanDerWaalsContact N-OE1 3.13Å
114	G	90.4	Very high	90.6	Very high	45 Å²	45	38 Å²	38	46%	0.464	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	0.8	177.9	0	0	0	0	0	115.4	Y111 K112	Y111-G114 VanDerWaalsContact CE2-CA 3.46Å; Y111-G114 VanDerWaalsContact CZ-CA 3.46Å; Y111-G114 VanDerWaalsContact CZ-N 3.29Å; Y111-G114 WeakPolarHBondContact OH-CA 3.4Å; Y111-G114 PolarHBondContact OH-N 2.97Å; K112-G114 VanDerWaalsContact C-N 3.34Å; K112-G114 PolarHBondContact O-N 2.92Å
115	K	92.2	Very high	90.1	Very high	127 Å²	127	38 Å²	38	55%	0.552	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	159	-175.6	-65.3	-177.8	-178.3	-179.1	0	111.7	Y111 K112 Y117	Y111-K115 CarbonylContact C-O 3.55Å; Y111-K115 VanDerWaalsContact CA-O 3.31Å; Y111-K115 WeakPolarHBondContact CA-O 3.32Å; K112-K115 PolarHBondContact N-O 2.82Å; K112-K115 PolarHBondContact O-N 3.38Å; K112-K115 VanDerWaalsContact O-N 3.1Å; K115-Y117 HydrophobicContact CB-CD2 4.47Å; K115-Y117 HydrophobicContact CB-CE2 3.64Å
116	V	95	Very high	89.3	Confident	12 Å²	12	38 Å²	38	7%	0.073	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136	177.9	180	0	0	0	0	109	Y109 T311 I319 L372	Y109-V116 HydrophobicContact CD1-CG1 3.9Å; Y109-V116 HydrophobicContact CG-CG1 3.78Å; V116-T311 HydrophobicContact CG1-CG2 4.44Å; V116-I319 HydrophobicContact CG1-CD1 4.18Å; V116-I319 HydrophobicContact CG1-CG2 4.07Å; V116-I319 HydrophobicContact CG2-CD1 4.38Å; V116-I319 HydrophobicContact CG2-CG2 4.25Å; V116-L372 HydrophobicContact CG2-CD1 3.77Å; V116-L372 HydrophobicContact CG2-CD2 3.84Å; V116-L372 HydrophobicContact CG2-CG 4.3Å
117	Y	94.3	Very high	88.6	Confident	48 Å²	48	39.3 Å²	39.3	19%	0.188	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.5	-178.7	-62	-86.2	0	0	0	110.4	Y109 V110 K112 K115 V119 S130 L131	Y109-Y117 CarbonylContact C-O 3.49Å; Y109-Y117 WeakPolarHBondContact CA-O 3.44Å; Y109-Y117 WeakPolarHBondContact CB-O 3.31Å; V110-Y117 PolarHBondContact N-O 2.56Å; V110-Y117 PolarHBondContact O-N 2.94Å; K112-Y117 HydrophobicContact CB-CD2 3.99Å; K112-Y117 HydrophobicContact CB-CE2 3.92Å; K112-Y117 WeakPolarHBondContact O-CE2 3.29Å; K115-Y117 HydrophobicContact CB-CD2 4.47Å; K115-Y117 HydrophobicContact CB-CE2 3.64Å; Y117-V119 PolarHBondContact O-N 2.93Å; Y117-S130 VanDerWaalsContact CD1-OG 3.22Å; Y117-S130 WeakPolarHBondContact CD1-OG 3.34Å; Y117-S130 VanDerWaalsContact CE1-OG 3.24Å; Y117-S130 WeakPolarHBondContact CE1-OG 3.36Å; Y117-L131 HydrophobicContact CD2-CD1 3.69Å; Y117-L131 HydrophobicContact CE2-CD1 4.46Å; Y117-L131 HydrophobicContact CG-CB 4.29Å; Y117-L131 HydrophobicContact CG-CD1 3.82Å
118	K	93	Very high	88.2	Confident	83 Å²	83	45.4 Å²	45.4	36%	0.361	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	133.6	172.4	-168.3	-176.8	-176.5	-167.5	0	109.1	Y109 P120 E125	Y109-K118 HydrophobicContact CD1-CB 4.16Å; Y109-K118 HydrophobicContact CE1-CB 4.09Å; Y109-K118 HydrophobicContact CE1-CG 4.48Å; K118-P120 VanDerWaalsContact O-CD 3.28Å; K118-P120 WeakPolarHBondContact O-CD 3.06Å; K118-E125 WeakPolarHBondContact CE-OE1 3.31Å; K118-E125 IonicContact NZ-OE1 2.82Å; K118-E125 PolarHBondContact NZ-OE1 3.03Å
119	V	90.9	Very high	87.8	Confident	2 Å²	2	46 Å²	46	1%	0.012	25%	0.254	C	S	.	.			trans	-69.9	115.2	176.4	179.7	0	0	0	0	108.6	S108 V110 Y117 A121 A188 L189	S108-V119 PolarHBondContact O-N 3.49Å; V110-V119 HydrophobicContact CB-CG2 4.01Å; V110-V119 HydrophobicContact CG1-CG2 4.11Å; Y117-V119 PolarHBondContact O-N 2.93Å; V119-A121 PolarHBondContact O-N 3.08Å; V119-A188 HydrophobicContact CG1-CB 4.24Å; V119-A188 HydrophobicContact CG2-CB 3.83Å; V119-L189 HydrophobicContact CG1-CD1 3.74Å; V119-L189 HydrophobicContact CG1-CG 3.9Å
120	P	85.8	Confident	87.5	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.013	28%	0.282	C	S	.	.			trans	-74.6	124.3	175.7	30.9	-32.7	0	0	0	109.7	K118 E125 A126 T129 L131 M132 F140 F184	K118-P120 VanDerWaalsContact O-CD 3.28Å; K118-P120 WeakPolarHBondContact O-CD 3.06Å; P120-E125 HydrophobicContact CB-CB 4.01Å; P120-A126 HydrophobicContact CB-CB 4.42Å; P120-T129 HydrophobicContact CB-CG2 4.13Å; P120-T129 HydrophobicContact CG-CG2 4.05Å; P120-L131 HydrophobicContact CG-CD2 4.45Å; P120-M132 HydrophobicContact CG-CE 3.95Å; P120-F140 HydrophobicContact CB-CE1 4.35Å; P120-F140 HydrophobicContact CG-CD1 4.47Å; P120-F140 HydrophobicContact CG-CE1 3.83Å; P120-F184 HydrophobicContact CG-CE2 4.12Å; P120-F184 HydrophobicContact CG-CZ 4.31Å
121	A	75.9	Confident	87.1	Confident	4 Å²	4	50 Å²	50	3%	0.033	28%	0.283	C	S	.	.			trans	-123.4	-5.4	179.8	0	0	0	0	0	115.6	V119 E125 L189 Y212 S213 L216	V119-A121 PolarHBondContact O-N 3.08Å; A121-E125 PolarHBondContact N-OE2 2.75Å; A121-L189 HydrophobicContact CB-CD2 4.23Å; A121-Y212 HydrophobicContact CB-CD1 3.68Å; A121-Y212 HydrophobicContact CB-CE1 3.38Å; A121-S213 PolarHBondContact O-OG 2.78Å; A121-L216 HydrophobicContact CB-CD2 3.35Å
122	D	76.2	Confident	86.9	Confident	59 Å²	59	49 Å²	49	32%	0.316	28%	0.28	S	S	.	.	S	Bend	trans	-125.9	173.1	170	71.7	44.7	0	0	0	112.2	T124 E125 A126	D122-T124 VanDerWaalsContact C-N 3.29Å; D122-T124 PolarHBondContact O-N 3.16Å; D122-T124 WeakPolarHBondContact OD1-CA 3.12Å; D122-T124 WeakPolarHBondContact OD1-CB 3.39Å; D122-T124 PolarHBondContact OD1-N 2.79Å; D122-E125 PolarHBondContact OD1-N 2.94Å; D122-A126 VanDerWaalsContact O-CB 3.26Å; D122-A126 WeakPolarHBondContact O-CB 3.47Å; D122-A126 PolarHBondContact O-N 3.46Å
123	E	77.7	Confident	86.7	Confident	88 Å²	88	49.3 Å²	49.3	41%	0.411	30%	0.295	S	S	.	.	H	α-helix	trans	-59.1	-37.3	-179.4	-67.5	-175.8	-143.7	0	0	113.7	L127 K141 V145	E123-L127 WeakPolarHBondContact O-CG 3.36Å; E123-L127 PolarHBondContact O-N 3.21Å; E123-K141 HydrophobicContact CB-CD 4.47Å; E123-K141 HydrophobicContact CB-CG 4.28Å; E123-K141 HydrophobicContact CG-CG 4.18Å; E123-K141 WeakPolarHBondContact OE2-CE 3.35Å; E123-K141 IonicContact OE2-NZ 2.92Å; E123-K141 PolarHBondContact OE2-NZ 3.2Å; E123-V145 HydrophobicContact CG-CG2 3.73Å; E123-V145 WeakPolarHBondContact OE1-CG2 3.41Å
124	T	81	Confident	86.7	Confident	99 Å²	99	52.3 Å²	52.3	61%	0.607	29%	0.293	S	S	*	.	H	α-helix	trans	-72.9	-47.8	-176	-56.4	0	0	0	0	109.4	D122 A126 L127 I128	D122-T124 VanDerWaalsContact C-N 3.29Å; D122-T124 PolarHBondContact O-N 3.16Å; D122-T124 WeakPolarHBondContact OD1-CA 3.12Å; D122-T124 WeakPolarHBondContact OD1-CB 3.39Å; D122-T124 PolarHBondContact OD1-N 2.79Å; T124-A126 VanDerWaalsContact C-N 3.33Å; T124-A126 PolarHBondContact O-N 3.4Å; T124-L127 PolarHBondContact O-N 3.02Å; T124-I128 PolarHBondContact O-N 3.42Å
125	E	84	Confident	86.8	Confident	25 Å²	25	57.5 Å²	57.5	12%	0.117	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-40.1	176.1	-68.1	-166.8	150.6	0	0	112.2	K118 P120 A121 D122 L127 I128 T129	K118-E125 WeakPolarHBondContact CE-OE1 3.31Å; K118-E125 IonicContact NZ-OE1 2.82Å; K118-E125 PolarHBondContact NZ-OE1 3.03Å; P120-E125 HydrophobicContact CB-CB 4.01Å; A121-E125 PolarHBondContact N-OE2 2.75Å; D122-E125 PolarHBondContact OD1-N 2.94Å; E125-L127 PolarHBondContact O-N 2.71Å; E125-I128 PolarHBondContact O-N 2.96Å; E125-T129 VanDerWaalsContact O-CB 3.31Å; E125-T129 WeakPolarHBondContact O-CB 3.36Å; E125-T129 WeakPolarHBondContact O-CG2 3.4Å; E125-T129 PolarHBondContact O-N 3.44Å
126	A	81.2	Confident	86.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-31.3	176.5	0	0	0	0	0	113	P120 D122 T124 T129 K137 F140 L144	P120-A126 HydrophobicContact CB-CB 4.42Å; D122-A126 VanDerWaalsContact O-CB 3.26Å; D122-A126 WeakPolarHBondContact O-CB 3.47Å; D122-A126 PolarHBondContact O-N 3.46Å; T124-A126 VanDerWaalsContact C-N 3.33Å; T124-A126 PolarHBondContact O-N 3.4Å; A126-T129 WeakPolarHBondContact O-CG2 3.43Å; A126-K137 WeakPolarHBondContact O-CB 3.2Å; A126-K137 VanDerWaalsContact O-CG 3.29Å; A126-K137 WeakPolarHBondContact O-CG 3.42Å; A126-F140 HydrophobicContact CB-CD1 3.93Å; A126-F140 HydrophobicContact CB-CE1 4.39Å; A126-L144 HydrophobicContact CB-CD1 4.24Å
127	L	80.6	Confident	86.8	Confident	77 Å²	77	52.8 Å²	52.8	40%	0.403	28%	0.282	S	S	.	.	H	α-helix	trans	-83.5	-30	178.8	-69.4	175.9	0	0	0	113.1	E123 T124 E125 K137 K141	E123-L127 WeakPolarHBondContact O-CG 3.36Å; E123-L127 PolarHBondContact O-N 3.21Å; T124-L127 PolarHBondContact O-N 3.02Å; E125-L127 PolarHBondContact O-N 2.71Å; L127-K137 WeakPolarHBondContact O-CD 3.31Å; L127-K137 PolarHBondContact O-NZ 3.31Å; L127-K141 HydrophobicContact CD1-CD 4.1Å; L127-K141 HydrophobicContact CD2-CD 4.23Å; L127-K141 HydrophobicContact CG-CD 4.21Å
128	I	85.5	Confident	86.8	Confident	128 Å²	128	57.3 Å²	57.3	66%	0.656	30%	0.299	S	S	*	.	H	α-helix	trans	-92	-27.7	-177.7	65.6	179.2	0	0	0	113.4	T124 E125 K137	T124-I128 PolarHBondContact O-N 3.42Å; E125-I128 PolarHBondContact O-N 2.96Å; I128-K137 PolarHBondContact O-NZ 2.63Å
129	T	86.2	Confident	87	Confident	16 Å²	16	57.2 Å²	57.2	10%	0.098	30%	0.296	C	S	.	.			trans	-52.8	140.4	-175.1	-176.5	0	0	0	0	113.6	P120 E125 A126 L131 M132 K137	P120-T129 HydrophobicContact CB-CG2 4.13Å; P120-T129 HydrophobicContact CG-CG2 4.05Å; E125-T129 VanDerWaalsContact O-CB 3.31Å; E125-T129 WeakPolarHBondContact O-CB 3.36Å; E125-T129 WeakPolarHBondContact O-CG2 3.4Å; E125-T129 PolarHBondContact O-N 3.44Å; A126-T129 WeakPolarHBondContact O-CG2 3.43Å; T129-L131 VanDerWaalsContact C-N 3.28Å; T129-L131 HydrophobicContact CG2-CB 4.39Å; T129-L131 VanDerWaalsContact OG1-CB 3.31Å; T129-L131 WeakPolarHBondContact OG1-CB 3.32Å; T129-L131 PolarHBondContact OG1-N 2.82Å; T129-M132 HydrophobicContact CG2-CE 3.75Å; T129-K137 WeakPolarHBondContact O-CE 3.43Å; T129-K137 PolarHBondContact O-NZ 2.86Å
130	S	88.4	Confident	87.2	Confident	90 Å²	90	57.1 Å²	57.1	63%	0.629	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	4.3	172.4	54.1	0	0	0	0	113.5	Y117 M132	Y117-S130 VanDerWaalsContact CD1-OG 3.22Å; Y117-S130 WeakPolarHBondContact CD1-OG 3.34Å; Y117-S130 VanDerWaalsContact CE1-OG 3.24Å; Y117-S130 WeakPolarHBondContact CE1-OG 3.36Å; S130-M132 PolarHBondContact O-N 2.89Å
131	L	88.5	Confident	87.6	Confident	5 Å²	5	60 Å²	60	3%	0.026	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-26.5	-178.9	-174.7	64.2	0	0	0	112.7	V110 K112 Y117 P120 T129 F184	V110-L131 HydrophobicContact CG1-CD1 3.94Å; V110-L131 HydrophobicContact CG1-CD2 3.76Å; K112-L131 HydrophobicContact CB-CD1 3.85Å; K112-L131 HydrophobicContact CD-CD1 3.56Å; K112-L131 HydrophobicContact CD-CG 4.4Å; K112-L131 HydrophobicContact CG-CD1 4.36Å; K112-L131 PolarHBondContact NZ-O 2.81Å; Y117-L131 HydrophobicContact CD2-CD1 3.69Å; Y117-L131 HydrophobicContact CE2-CD1 4.46Å; Y117-L131 HydrophobicContact CG-CB 4.29Å; Y117-L131 HydrophobicContact CG-CD1 3.82Å; P120-L131 HydrophobicContact CG-CD2 4.45Å; T129-L131 VanDerWaalsContact C-N 3.28Å; T129-L131 HydrophobicContact CG2-CB 4.39Å; T129-L131 VanDerWaalsContact OG1-CB 3.31Å; T129-L131 WeakPolarHBondContact OG1-CB 3.32Å; T129-L131 PolarHBondContact OG1-N 2.82Å; L131-F184 HydrophobicContact CD2-CB 4.43Å; L131-F184 HydrophobicContact CD2-CD1 3.48Å; L131-F184 VanDerWaalsContact CD2-CD1 3.48Å; L131-F184 HydrophobicContact CD2-CD2 3.89Å; L131-F184 HydrophobicContact CD2-CE1 3.54Å; L131-F184 HydrophobicContact CD2-CE2 3.99Å; L131-F184 HydrophobicContact CD2-CG 3.69Å; L131-F184 HydrophobicContact CD2-CZ 3.85Å; L131-F184 HydrophobicContact CG-CD1 4.08Å; L131-F184 HydrophobicContact CG-CE1 4.1Å
132	M	92.1	Very high	88.5	Confident	11 Å²	11	66.8 Å²	66.8	5%	0.054	34%	0.336	C	S	.	.	S	Bend	trans	-130.7	151.1	-174.1	-73.9	170.8	-74.4	0	0	111.6	P120 T129 S130 E136 K137 F140 T181 F184	P120-M132 HydrophobicContact CG-CE 3.95Å; T129-M132 HydrophobicContact CG2-CE 3.75Å; S130-M132 PolarHBondContact O-N 2.89Å; M132-E136 HydrophobicContact CB-CB 4.02Å; M132-E136 HydrophobicContact CB-CG 3.94Å; M132-E136 HydrophobicContact CG-CB 4.38Å; M132-E136 HydrophobicContact CG-CG 3.73Å; M132-E136 HydrophobicContact SD-CG 3.88Å; M132-K137 HydrophobicContact CB-CG 3.91Å; M132-K137 WeakPolarHBondContact O-CE 3.4Å; M132-F140 HydrophobicContact CE-CB 4.14Å; M132-F140 HydrophobicContact CE-CD1 3.52Å; M132-F140 HydrophobicContact CE-CE1 4.12Å; M132-F140 HydrophobicContact CE-CG 3.91Å; M132-F140 HydrophobicContact SD-CB 3.66Å; M132-F140 HydrophobicContact SD-CD1 4.09Å; M132-F140 HydrophobicContact SD-CD2 4.5Å; M132-F140 HydrophobicContact SD-CG 3.82Å; M132-T181 HydrophobicContact SD-CG2 3.8Å; M132-F184 HydrophobicContact CE-CE1 4.01Å; M132-F184 HydrophobicContact CE-CZ 3.6Å; M132-F184 HydrophobicContact CG-CE1 4.05Å; M132-F184 HydrophobicContact SD-CE1 3.72Å; M132-F184 HydrophobicContact SD-CZ 3.74Å
133	G	90.9	Very high	89.4	Confident	49 Å²	49	64 Å²	64	51%	0.505	32%	0.321	S	S	.	.			trans	-70.5	163.6	170.8	0	0	0	0	0	112.4	F135 E136 K137	G133-F135 VanDerWaalsContact C-N 3.34Å; G133-F135 PolarHBondContact O-N 3.1Å; G133-E136 PolarHBondContact O-N 3.07Å; G133-E136 VanDerWaalsContact O-N 3.07Å; G133-K137 WeakPolarHBondContact O-CG 3.46Å; G133-K137 PolarHBondContact O-N 2.84Å
134	M	89.9	Confident	90.2	Very high	129 Å²	129	60 Å²	60	64%	0.635	30%	0.303	S	S	*	.	H	α-helix	trans	-53.7	-43.2	-172.3	-172.9	-174.5	-65.3	0	0	114.6
135	F	92.5	Very high	90.9	Very high	153 Å²	153	57.3 Å²	57.3	67%	0.671	29%	0.286	S	S	*	.	H	α-helix	trans	-69.8	-41.8	178.5	-67.1	-75.5	0	0	0	111.8	G133 K137 R138 R139	G133-F135 VanDerWaalsContact C-N 3.34Å; G133-F135 PolarHBondContact O-N 3.1Å; F135-K137 VanDerWaalsContact C-N 3.33Å; F135-K137 PolarHBondContact O-N 3.24Å; F135-R138 WeakPolarHBondContact O-CB 3.47Å; F135-R138 PolarHBondContact O-N 3.24Å; F135-R138 VanDerWaalsContact O-N 3.1Å; F135-R139 PolarHBondContact O-N 3.49Å
136	E	94.7	Very high	91.5	Very high	7 Å²	7	57.3 Å²	57.3	3%	0.033	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-40.3	179.7	-171.1	65	-174	0	0	111.9	M132 G133 R138 R139 F140 D178 T181	M132-E136 HydrophobicContact CB-CB 4.02Å; M132-E136 HydrophobicContact CB-CG 3.94Å; M132-E136 HydrophobicContact CG-CB 4.38Å; M132-E136 HydrophobicContact CG-CG 3.73Å; M132-E136 HydrophobicContact SD-CG 3.88Å; G133-E136 PolarHBondContact O-N 3.07Å; G133-E136 VanDerWaalsContact O-N 3.07Å; E136-R138 VanDerWaalsContact C-N 3.26Å; E136-R138 PolarHBondContact O-N 3.16Å; E136-R139 PolarHBondContact O-N 2.88Å; E136-R139 VanDerWaalsContact O-N 3.12Å; E136-R139 IonicContact OE2-CZ 3.34Å; E136-R139 IonicContact OE2-NE 3.77Å; E136-R139 PolarHBondContact OE2-NE 2.86Å; E136-R139 IonicContact OE2-NH2 3.95Å; E136-R139 PolarHBondContact OE2-NH2 3.39Å; E136-F140 WeakPolarHBondContact O-CB 3.03Å; E136-F140 PolarHBondContact O-N 2.65Å; E136-D178 PolarHBondContact OE1-N 2.69Å; E136-T181 VanDerWaalsContact CG-OG1 3.24Å; E136-T181 WeakPolarHBondContact CG-OG1 3.41Å; E136-T181 WeakPolarHBondContact OE1-CB 3.41Å; E136-T181 PolarHBondContact OE1-OG1 2.97Å
137	K	94.1	Very high	92.2	Very high	34 Å²	34	57.3 Å²	57.3	15%	0.148	29%	0.285	C	S	.	.	H	α-helix	trans	-54.7	-40.7	172.4	-67.8	176.2	176.8	-157.1	0	113.3	A126 L127 I128 T129 M132 G133 F135 K141	A126-K137 WeakPolarHBondContact O-CB 3.2Å; A126-K137 VanDerWaalsContact O-CG 3.29Å; A126-K137 WeakPolarHBondContact O-CG 3.42Å; L127-K137 WeakPolarHBondContact O-CD 3.31Å; L127-K137 PolarHBondContact O-NZ 3.31Å; I128-K137 PolarHBondContact O-NZ 2.63Å; T129-K137 WeakPolarHBondContact O-CE 3.43Å; T129-K137 PolarHBondContact O-NZ 2.86Å; M132-K137 HydrophobicContact CB-CG 3.91Å; M132-K137 WeakPolarHBondContact O-CE 3.4Å; G133-K137 WeakPolarHBondContact O-CG 3.46Å; G133-K137 PolarHBondContact O-N 2.84Å; F135-K137 VanDerWaalsContact C-N 3.33Å; F135-K137 PolarHBondContact O-N 3.24Å; K137-K141 VanDerWaalsContact O-CB 3.29Å; K137-K141 WeakPolarHBondContact O-CB 3.36Å; K137-K141 PolarHBondContact O-N 3.12Å
138	R	94.1	Very high	92.8	Very high	143 Å²	143	56.7 Å²	56.7	54%	0.54	28%	0.28	S	S	.	.	H	α-helix	trans	-69	-38.8	179.9	-66.2	177.2	-178.6	176	1.3	111.2	F135 E136 K142	F135-R138 WeakPolarHBondContact O-CB 3.47Å; F135-R138 PolarHBondContact O-N 3.24Å; F135-R138 VanDerWaalsContact O-N 3.1Å; E136-R138 VanDerWaalsContact C-N 3.26Å; E136-R138 PolarHBondContact O-N 3.16Å; R138-K142 WeakPolarHBondContact O-CG 3.47Å; R138-K142 PolarHBondContact O-N 2.65Å
139	R	95.8	Very high	93.3	Very high	80 Å²	80	55.9 Å²	55.9	30%	0.302	28%	0.277	S	S	.	.	H	α-helix	trans	-66.6	-48	175.2	-66.3	-170	-80.1	-155.2	5.2	111.3	F135 E136 K141 K142 F143 E176 L177	F135-R139 PolarHBondContact O-N 3.49Å; E136-R139 PolarHBondContact O-N 2.88Å; E136-R139 VanDerWaalsContact O-N 3.12Å; E136-R139 IonicContact OE2-CZ 3.34Å; E136-R139 IonicContact OE2-NE 3.77Å; E136-R139 PolarHBondContact OE2-NE 2.86Å; E136-R139 IonicContact OE2-NH2 3.95Å; E136-R139 PolarHBondContact OE2-NH2 3.39Å; R139-K141 PolarHBondContact O-N 2.89Å; R139-K142 WeakPolarHBondContact O-CB 3.29Å; R139-K142 PolarHBondContact O-N 3.16Å; R139-K142 VanDerWaalsContact O-N 3.13Å; R139-F143 PolarHBondContact O-N 2.68Å; R139-E176 VanDerWaalsContact CD-O 3.26Å; R139-E176 WeakPolarHBondContact CD-O 3.29Å; R139-E176 PolarHBondContact NE-O 2.95Å; R139-E176 VanDerWaalsContact NE-O 3.16Å; R139-E176 PolarHBondContact NH1-O 3.13Å; R139-E176 IonicContact NH1-OE2 2.97Å; R139-E176 PolarHBondContact NH1-OE2 2.86Å; R139-L177 HydrophobicContact CB-CD2 3.77Å
140	F	95.4	Very high	93.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-40.7	177.6	-172.8	-112.4	0	0	0	112.5	P120 A126 M132 E136 K142 F143 L144 L177 T181 F184 T185 L189	P120-F140 HydrophobicContact CB-CE1 4.35Å; P120-F140 HydrophobicContact CG-CD1 4.47Å; P120-F140 HydrophobicContact CG-CE1 3.83Å; A126-F140 HydrophobicContact CB-CD1 3.93Å; A126-F140 HydrophobicContact CB-CE1 4.39Å; M132-F140 HydrophobicContact CE-CB 4.14Å; M132-F140 HydrophobicContact CE-CD1 3.52Å; M132-F140 HydrophobicContact CE-CE1 4.12Å; M132-F140 HydrophobicContact CE-CG 3.91Å; M132-F140 HydrophobicContact SD-CB 3.66Å; M132-F140 HydrophobicContact SD-CD1 4.09Å; M132-F140 HydrophobicContact SD-CD2 4.5Å; M132-F140 HydrophobicContact SD-CG 3.82Å; E136-F140 WeakPolarHBondContact O-CB 3.03Å; E136-F140 PolarHBondContact O-N 2.65Å; F140-K142 PolarHBondContact O-N 3.01Å; F140-F143 AromaticContact CD2-CD1 3.88Å; F140-F143 HydrophobicContact CD2-CD1 3.88Å; F140-F143 AromaticContact CE2-CD1 3.76Å; F140-F143 HydrophobicContact CE2-CD1 3.76Å; F140-F143 HydrophobicContact CE2-CE1 4.04Å; F140-F143 WeakPolarHBondContact O-CB 3.4Å; F140-F143 PolarHBondContact O-N 2.83Å; F140-L144 HydrophobicContact CD1-CD1 3.99Å; F140-L144 HydrophobicContact CD1-CG 4.24Å; F140-L144 HydrophobicContact CE1-CD1 3.46Å; F140-L144 VanDerWaalsContact CE1-CD1 3.46Å; F140-L144 HydrophobicContact CE1-CD2 4.21Å; F140-L144 HydrophobicContact CE1-CG 3.82Å; F140-L144 HydrophobicContact CE2-CD2 4.23Å; F140-L144 HydrophobicContact CE2-CG 4.29Å; F140-L144 HydrophobicContact CZ-CD1 3.92Å; F140-L144 HydrophobicContact CZ-CD2 3.77Å; F140-L144 HydrophobicContact CZ-CG 3.84Å; F140-L144 PolarHBondContact O-N 3.3Å; F140-L177 HydrophobicContact CB-CD2 4.37Å; F140-L177 HydrophobicContact CD2-CD1 4.24Å; F140-T181 HydrophobicContact CB-CG2 4.23Å; F140-T181 HydrophobicContact CD2-CG2 3.47Å; F140-T181 VanDerWaalsContact CD2-CG2 3.47Å; F140-T181 HydrophobicContact CE2-CG2 4.13Å; F140-T181 HydrophobicContact CG-CG2 4.06Å; F140-F184 HydrophobicContact CD1-CZ 4.27Å; F140-F184 HydrophobicContact CD2-CZ 4.15Å; F140-F184 HydrophobicContact CE1-CE2 4Å; F140-F184 AromaticContact CE1-CZ 3.93Å; F140-F184 HydrophobicContact CE1-CZ 3.93Å; F140-F184 AromaticContact CE2-CE2 3.94Å; F140-F184 HydrophobicContact CE2-CE2 3.94Å; F140-F184 AromaticContact CE2-CZ 3.83Å; F140-F184 HydrophobicContact CE2-CZ 3.83Å; F140-F184 HydrophobicContact CG-CZ 4.36Å; F140-F184 AromaticContact CZ-CE2 3.53Å; F140-F184 HydrophobicContact CZ-CE2 3.53Å; F140-F184 AromaticContact CZ-CZ 3.7Å; F140-F184 HydrophobicContact CZ-CZ 3.7Å; F140-T185 VanDerWaalsContact CE2-OG1 3.3Å; F140-T185 WeakPolarHBondContact CE2-OG1 3.16Å; F140-L189 HydrophobicContact CZ-CD1 4.3Å
141	K	94.2	Very high	94.3	Very high	63 Å²	63	54 Å²	54	27%	0.274	26%	0.26	S	S	.	.	H	α-helix	trans	-55.2	-50.9	171.1	-178.4	-171.4	169.8	165.5	0	111.3	E123 L127 K137 R139 F143 L144 V145	E123-K141 HydrophobicContact CB-CD 4.47Å; E123-K141 HydrophobicContact CB-CG 4.28Å; E123-K141 HydrophobicContact CG-CG 4.18Å; E123-K141 WeakPolarHBondContact OE2-CE 3.35Å; E123-K141 IonicContact OE2-NZ 2.92Å; E123-K141 PolarHBondContact OE2-NZ 3.2Å; L127-K141 HydrophobicContact CD1-CD 4.1Å; L127-K141 HydrophobicContact CD2-CD 4.23Å; L127-K141 HydrophobicContact CG-CD 4.21Å; K137-K141 VanDerWaalsContact O-CB 3.29Å; K137-K141 WeakPolarHBondContact O-CB 3.36Å; K137-K141 PolarHBondContact O-N 3.12Å; R139-K141 PolarHBondContact O-N 2.89Å; K141-F143 VanDerWaalsContact C-N 3.28Å; K141-F143 PolarHBondContact O-N 3.1Å; K141-L144 PolarHBondContact O-N 3.06Å; K141-V145 HydrophobicContact CG-CG2 4.46Å; K141-V145 VanDerWaalsContact O-CG2 3.31Å; K141-V145 WeakPolarHBondContact O-CG2 3.34Å; K141-V145 PolarHBondContact O-N 3.49Å
142	K	95.2	Very high	94.7	Very high	146 Å²	146	56 Å²	56	64%	0.635	27%	0.268	S	S	*	.	H	α-helix	trans	-59.4	-40.9	179.2	-73.9	178.7	178.1	-174.2	0	111.8	R138 R139 F140 V145 W146 F175	R138-K142 WeakPolarHBondContact O-CG 3.47Å; R138-K142 PolarHBondContact O-N 2.65Å; R139-K142 WeakPolarHBondContact O-CB 3.29Å; R139-K142 PolarHBondContact O-N 3.16Å; R139-K142 VanDerWaalsContact O-N 3.13Å; F140-K142 PolarHBondContact O-N 3.01Å; K142-V145 PolarHBondContact O-N 3Å; K142-W146 WeakPolarHBondContact O-CB 3.39Å; K142-W146 PolarHBondContact O-N 3.25Å; K142-F175 HydrophobicContact CB-CD1 4.48Å
143	F	96	Very high	94.9	Very high	1 Å²	1	63.1 Å²	63.1	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-51	174.2	165	-103.8	0	0	0	111.9	R139 F140 K141 V145 W146 V147 M168 V171 F175 L177 T185 I209	R139-F143 PolarHBondContact O-N 2.68Å; F140-F143 AromaticContact CD2-CD1 3.88Å; F140-F143 HydrophobicContact CD2-CD1 3.88Å; F140-F143 AromaticContact CE2-CD1 3.76Å; F140-F143 HydrophobicContact CE2-CD1 3.76Å; F140-F143 HydrophobicContact CE2-CE1 4.04Å; F140-F143 WeakPolarHBondContact O-CB 3.4Å; F140-F143 PolarHBondContact O-N 2.83Å; K141-F143 VanDerWaalsContact C-N 3.28Å; K141-F143 PolarHBondContact O-N 3.1Å; F143-V145 VanDerWaalsContact C-N 3.33Å; F143-V145 PolarHBondContact O-N 2.86Å; F143-W146 HydrophobicContact CD2-CE3 4.21Å; F143-W146 HydrophobicContact CE2-CE3 4.31Å; F143-W146 HydrophobicContact CE2-CZ3 4.24Å; F143-W146 WeakPolarHBondContact O-CB 3.38Å; F143-W146 PolarHBondContact O-N 2.9Å; F143-W146 VanDerWaalsContact O-N 3.14Å; F143-V147 HydrophobicContact CD2-CG2 4.04Å; F143-V147 HydrophobicContact CE1-CG2 4.08Å; F143-V147 HydrophobicContact CE2-CG2 3.52Å; F143-V147 HydrophobicContact CZ-CG2 3.55Å; F143-V147 WeakPolarHBondContact O-CG2 3.29Å; F143-V147 PolarHBondContact O-N 2.8Å; F143-M168 HydrophobicContact CE2-CE 3.76Å; F143-M168 HydrophobicContact CZ-CE 3.8Å; F143-V171 HydrophobicContact CD2-CG1 4.15Å; F143-V171 HydrophobicContact CE2-CG1 3.77Å; F143-F175 HydrophobicContact CB-CB 4.15Å; F143-F175 HydrophobicContact CB-CD1 3.82Å; F143-F175 HydrophobicContact CB-CE1 4.43Å; F143-F175 HydrophobicContact CB-CG 3.89Å; F143-F175 AromaticContact CD2-CD2 3.9Å; F143-F175 HydrophobicContact CD2-CD2 3.9Å; F143-F175 HydrophobicContact CD2-CE2 4.31Å; F143-F175 HydrophobicContact CD2-CG 4.09Å; F143-F175 HydrophobicContact CG-CG 4.49Å; F143-L177 HydrophobicContact CB-CD1 3.98Å; F143-L177 HydrophobicContact CB-CD2 4.49Å; F143-L177 HydrophobicContact CD1-CD1 3.93Å; F143-L177 HydrophobicContact CD2-CD1 4.18Å; F143-L177 HydrophobicContact CE1-CD1 4.48Å; F143-L177 HydrophobicContact CG-CD1 3.74Å; F143-T185 HydrophobicContact CE1-CG2 3.69Å; F143-T185 HydrophobicContact CZ-CG2 3.94Å; F143-I209 HydrophobicContact CE1-CD1 4.11Å; F143-I209 HydrophobicContact CZ-CD1 3.7Å
144	L	94.3	Very high	95.2	Very high	4 Å²	4	64 Å²	64	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-43.6	178.3	-71.5	-176.6	0	0	0	112	A126 F140 K141 W146 V147 Q148 L189 I209	A126-L144 HydrophobicContact CB-CD1 4.24Å; F140-L144 HydrophobicContact CD1-CD1 3.99Å; F140-L144 HydrophobicContact CD1-CG 4.24Å; F140-L144 HydrophobicContact CE1-CD1 3.46Å; F140-L144 VanDerWaalsContact CE1-CD1 3.46Å; F140-L144 HydrophobicContact CE1-CD2 4.21Å; F140-L144 HydrophobicContact CE1-CG 3.82Å; F140-L144 HydrophobicContact CE2-CD2 4.23Å; F140-L144 HydrophobicContact CE2-CG 4.29Å; F140-L144 HydrophobicContact CZ-CD1 3.92Å; F140-L144 HydrophobicContact CZ-CD2 3.77Å; F140-L144 HydrophobicContact CZ-CG 3.84Å; F140-L144 PolarHBondContact O-N 3.3Å; K141-L144 PolarHBondContact O-N 3.06Å; L144-W146 VanDerWaalsContact C-N 3.31Å; L144-W146 PolarHBondContact O-N 2.88Å; L144-V147 PolarHBondContact O-N 3.36Å; L144-Q148 WeakPolarHBondContact O-CG 3.22Å; L144-Q148 PolarHBondContact O-N 3.18Å; L144-L189 HydrophobicContact CD2-CD2 4.31Å; L144-I209 HydrophobicContact CD2-CG2 4.32Å
145	V	94.4	Very high	95.4	Very high	43 Å²	43	67.2 Å²	67.2	26%	0.261	30%	0.304	S	S	.	.	H	α-helix	trans	-59.4	-43.1	175.9	171.6	0	0	0	0	111.2	E123 K141 K142 F143 Q148 N149	E123-V145 HydrophobicContact CG-CG2 3.73Å; E123-V145 WeakPolarHBondContact OE1-CG2 3.41Å; K141-V145 HydrophobicContact CG-CG2 4.46Å; K141-V145 VanDerWaalsContact O-CG2 3.31Å; K141-V145 WeakPolarHBondContact O-CG2 3.34Å; K141-V145 PolarHBondContact O-N 3.49Å; K142-V145 PolarHBondContact O-N 3Å; F143-V145 VanDerWaalsContact C-N 3.33Å; F143-V145 PolarHBondContact O-N 2.86Å; V145-Q148 PolarHBondContact O-N 2.88Å; V145-N149 WeakPolarHBondContact CG1-ND2 3.46Å; V145-N149 WeakPolarHBondContact O-CB 3.48Å; V145-N149 PolarHBondContact O-N 2.82Å; V145-N149 VanDerWaalsContact O-N 3.08Å; V145-N149 PolarHBondContact O-ND2 3.1Å
146	W	96.5	Very high	95.6	Very high	24 Å²	24	64.7 Å²	64.7	9%	0.091	31%	0.306	C	S	.	.	H	α-helix	trans	-63.6	-46.5	175.9	172.2	77.9	0	0	0	111.7	K142 F143 L144 Q148 N149 F150 T157 L161 V171 F175 F202 V206	K142-W146 WeakPolarHBondContact O-CB 3.39Å; K142-W146 PolarHBondContact O-N 3.25Å; F143-W146 HydrophobicContact CD2-CE3 4.21Å; F143-W146 HydrophobicContact CE2-CE3 4.31Å; F143-W146 HydrophobicContact CE2-CZ3 4.24Å; F143-W146 WeakPolarHBondContact O-CB 3.38Å; F143-W146 PolarHBondContact O-N 2.9Å; F143-W146 VanDerWaalsContact O-N 3.14Å; L144-W146 VanDerWaalsContact C-N 3.31Å; L144-W146 PolarHBondContact O-N 2.88Å; W146-Q148 VanDerWaalsContact C-N 3.32Å; W146-Q148 PolarHBondContact O-N 2.9Å; W146-N149 CarbonylContact O-C 3.45Å; W146-N149 PolarHBondContact O-N 3.18Å; W146-F150 AromaticContact CE2-CD2 3.72Å; W146-F150 HydrophobicContact CH2-CD2 4.03Å; W146-F150 HydrophobicContact CH2-CE2 4.2Å; W146-F150 AromaticContact CZ2-CD2 3.45Å; W146-F150 HydrophobicContact CZ2-CD2 3.45Å; W146-F150 VanDerWaalsContact CZ2-CD2 3.45Å; W146-F150 AromaticContact CZ2-CE2 3.62Å; W146-F150 HydrophobicContact CZ2-CE2 3.62Å; W146-F150 WeakPolarHBondContact O-CB 3.47Å; W146-F150 PolarHBondContact O-N 3.48Å; W146-T157 PolarHBondContact NE1-O 2.84Å; W146-L161 HydrophobicContact CH2-CD1 4.12Å; W146-L161 HydrophobicContact CZ2-CB 4.39Å; W146-L161 HydrophobicContact CZ2-CD1 3.98Å; W146-V171 HydrophobicContact CE3-CG1 4.48Å; W146-V171 HydrophobicContact CH2-CG1 4.01Å; W146-V171 HydrophobicContact CH2-CG2 4.23Å; W146-V171 HydrophobicContact CZ3-CG1 3.62Å; W146-F175 HydrophobicContact CB-CE1 3.82Å; W146-F175 HydrophobicContact CB-CE2 4.47Å; W146-F175 HydrophobicContact CB-CZ 3.49Å; W146-F175 VanDerWaalsContact CB-CZ 3.49Å; W146-F175 AromaticContact CD1-CZ 3.97Å; W146-F175 AromaticContact CD2-CE2 3.62Å; W146-F175 HydrophobicContact CD2-CE2 3.62Å; W146-F175 AromaticContact CD2-CZ 3.41Å; W146-F175 HydrophobicContact CD2-CZ 3.41Å; W146-F175 VanDerWaalsContact CD2-CZ 3.41Å; W146-F175 HydrophobicContact CE3-CD2 4.48Å; W146-F175 AromaticContact CE3-CE2 3.52Å; W146-F175 HydrophobicContact CE3-CE2 3.52Å; W146-F175 AromaticContact CE3-CZ 3.71Å; W146-F175 HydrophobicContact CE3-CZ 3.71Å; W146-F175 HydrophobicContact CG-CE1 4.16Å; W146-F175 HydrophobicContact CG-CE2 4.07Å; W146-F175 AromaticContact CG-CZ 3.33Å; W146-F175 HydrophobicContact CG-CZ 3.33Å; W146-F175 HydrophobicContact CH2-CE2 4.44Å; W146-F175 AromaticContact CZ3-CE2 3.97Å; W146-F175 HydrophobicContact CZ3-CE2 3.97Å; W146-F202 HydrophobicContact CH2-CD2 4.09Å; W146-F202 AromaticContact CH2-CE2 3.61Å; W146-F202 HydrophobicContact CH2-CE2 3.61Å; W146-F202 HydrophobicContact CH2-CZ 4.03Å; W146-F202 HydrophobicContact CZ2-CE2 4.16Å; W146-F202 HydrophobicContact CZ2-CZ 4.27Å; W146-V206 HydrophobicContact CH2-CG2 4.36Å; W146-V206 HydrophobicContact CZ3-CG2 4.19Å
147	V	96.5	Very high	95.7	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-57.4	-43.8	176.8	170.5	0	0	0	0	111.8	F143 L144 F150 V206 I209 K210	F143-V147 HydrophobicContact CD2-CG2 4.04Å; F143-V147 HydrophobicContact CE1-CG2 4.08Å; F143-V147 HydrophobicContact CE2-CG2 3.52Å; F143-V147 HydrophobicContact CZ-CG2 3.55Å; F143-V147 WeakPolarHBondContact O-CG2 3.29Å; F143-V147 PolarHBondContact O-N 2.8Å; L144-V147 PolarHBondContact O-N 3.36Å; V147-F150 WeakPolarHBondContact O-CB 3.46Å; V147-F150 PolarHBondContact O-N 2.79Å; V147-V206 HydrophobicContact CG1-CG1 4.28Å; V147-V206 HydrophobicContact CG2-CG2 4.48Å; V147-I209 HydrophobicContact CG1-CB 3.9Å; V147-I209 HydrophobicContact CG1-CG2 3.69Å; V147-K210 HydrophobicContact CG1-CG 3.86Å; V147-K210 WeakPolarHBondContact O-CD 3.43Å; V147-K210 VanDerWaalsContact O-CE 3.23Å; V147-K210 WeakPolarHBondContact O-CE 3.33Å
148	Q	94	Very high	95.9	Very high	65 Å²	65	65.2 Å²	65.2	30%	0.304	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-41.5	178.6	-67.1	-48.1	-35.9	0	0	112.3	L144 V145 W146 F150 K210 S213	L144-Q148 WeakPolarHBondContact O-CG 3.22Å; L144-Q148 PolarHBondContact O-N 3.18Å; V145-Q148 PolarHBondContact O-N 2.88Å; W146-Q148 VanDerWaalsContact C-N 3.32Å; W146-Q148 PolarHBondContact O-N 2.9Å; Q148-F150 VanDerWaalsContact C-N 3.3Å; Q148-F150 PolarHBondContact O-N 3.21Å; Q148-K210 WeakPolarHBondContact O-CE 3.36Å; Q148-K210 PolarHBondContact O-NZ 2.98Å; Q148-S213 PolarHBondContact NE2-OG 2.56Å
149	N	96.1	Very high	95.8	Very high	111 Å²	111	61.7 Å²	61.7	59%	0.594	30%	0.302	S	S	*	.	H	α-helix	trans	-81.1	-6.8	179.1	-68.1	-52.4	0	0	0	114	V145 W146 D151	V145-N149 WeakPolarHBondContact CG1-ND2 3.46Å; V145-N149 WeakPolarHBondContact O-CB 3.48Å; V145-N149 PolarHBondContact O-N 2.82Å; V145-N149 VanDerWaalsContact O-N 3.08Å; V145-N149 PolarHBondContact O-ND2 3.1Å; W146-N149 CarbonylContact O-C 3.45Å; W146-N149 PolarHBondContact O-N 3.18Å; N149-D151 PolarHBondContact O-N 2.51Å
150	F	97.5	Very high	95.8	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	32%	0.322	C	S	.	.			trans	-66.5	125.6	-178.8	-169	-83.8	0	0	0	111	W146 V147 Q148 F152 W158 P163 F202 V206 K210	W146-F150 AromaticContact CE2-CD2 3.72Å; W146-F150 HydrophobicContact CH2-CD2 4.03Å; W146-F150 HydrophobicContact CH2-CE2 4.2Å; W146-F150 AromaticContact CZ2-CD2 3.45Å; W146-F150 HydrophobicContact CZ2-CD2 3.45Å; W146-F150 VanDerWaalsContact CZ2-CD2 3.45Å; W146-F150 AromaticContact CZ2-CE2 3.62Å; W146-F150 HydrophobicContact CZ2-CE2 3.62Å; W146-F150 WeakPolarHBondContact O-CB 3.47Å; W146-F150 PolarHBondContact O-N 3.48Å; V147-F150 WeakPolarHBondContact O-CB 3.46Å; V147-F150 PolarHBondContact O-N 2.79Å; Q148-F150 VanDerWaalsContact C-N 3.3Å; Q148-F150 PolarHBondContact O-N 3.21Å; F150-F152 HydrophobicContact CD1-CD2 4.19Å; F150-F152 HydrophobicContact CD1-CE2 4.02Å; F150-F152 HydrophobicContact CD1-CZ 4.26Å; F150-F152 HydrophobicContact CE1-CD1 4.03Å; F150-F152 HydrophobicContact CE1-CD2 4.15Å; F150-F152 AromaticContact CE1-CE1 3.98Å; F150-F152 HydrophobicContact CE1-CE1 3.98Å; F150-F152 HydrophobicContact CE1-CE2 4.1Å; F150-F152 HydrophobicContact CE1-CG 4.1Å; F150-F152 AromaticContact CE1-CZ 3.99Å; F150-F152 HydrophobicContact CE1-CZ 3.99Å; F150-W158 HydrophobicContact CE2-CB 4.2Å; F150-W158 AromaticContact CE2-CD1 3.53Å; F150-W158 AromaticContact CE2-CG 3.92Å; F150-W158 HydrophobicContact CE2-CG 3.92Å; F150-W158 AromaticContact CZ-CD1 3.47Å; F150-W158 VanDerWaalsContact CZ-CD1 3.47Å; F150-W158 HydrophobicContact CZ-CD2 4.39Å; F150-W158 AromaticContact CZ-CG 3.98Å; F150-W158 HydrophobicContact CZ-CG 3.98Å; F150-W158 AromaticContact CZ-NE1 3.64Å; F150-P163 HydrophobicContact CE1-CB 4.15Å; F150-P163 HydrophobicContact CE1-CG 4.15Å; F150-P163 HydrophobicContact CZ-CB 3.77Å; F150-P163 HydrophobicContact CZ-CG 3.72Å; F150-F202 HydrophobicContact CD2-CE2 4.43Å; F150-F202 HydrophobicContact CE1-CE2 4.49Å; F150-F202 AromaticContact CE2-CE2 3.67Å; F150-F202 HydrophobicContact CE2-CE2 3.67Å; F150-F202 AromaticContact CE2-CZ 3.85Å; F150-F202 HydrophobicContact CE2-CZ 3.85Å; F150-F202 AromaticContact CZ-CE2 3.73Å; F150-F202 HydrophobicContact CZ-CE2 3.73Å; F150-F202 AromaticContact CZ-CZ 3.96Å; F150-F202 HydrophobicContact CZ-CZ 3.96Å; F150-V206 HydrophobicContact CB-CG1 4.02Å; F150-V206 HydrophobicContact CD1-CG1 3.85Å; F150-V206 HydrophobicContact CG-CG1 4.04Å; F150-K210 PolarHBondContact O-NZ 3.32Å
151	D	97.7	Very high	95.9	Very high	66 Å²	66	61.8 Å²	61.8	35%	0.353	33%	0.325	S	S	.	.			trans	-124.3	122	179.1	178.2	-0.9	0	0	0	109.6	N149 D153 N154 T157 W158	N149-D151 PolarHBondContact O-N 2.51Å; D151-D153 PolarHBondContact O-N 2.47Å; D151-D153 PolarHBondContact OD1-N 2.93Å; D151-N154 HydrophobicContact CB-CB 3.95Å; D151-N154 PolarHBondContact O-N 2.97Å; D151-N154 WeakPolarHBondContact OD2-CB 3.47Å; D151-T157 HydrophobicContact CB-CG2 4.11Å; D151-T157 PolarHBondContact N-OG1 2.83Å; D151-T157 PolarHBondContact O-OG1 2.75Å; D151-W158 PolarHBondContact O-NE1 2.8Å
152	F	96.7	Very high	96	Very high	47 Å²	47	61 Å²	61	21%	0.206	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.7	-177.8	-73.6	-91.9	0	0	0	112.7	F150 W158 P163 F164 G203 V206 K207	F150-F152 HydrophobicContact CD1-CD2 4.19Å; F150-F152 HydrophobicContact CD1-CE2 4.02Å; F150-F152 HydrophobicContact CD1-CZ 4.26Å; F150-F152 HydrophobicContact CE1-CD1 4.03Å; F150-F152 HydrophobicContact CE1-CD2 4.15Å; F150-F152 AromaticContact CE1-CE1 3.98Å; F150-F152 HydrophobicContact CE1-CE1 3.98Å; F150-F152 HydrophobicContact CE1-CE2 4.1Å; F150-F152 HydrophobicContact CE1-CG 4.1Å; F150-F152 AromaticContact CE1-CZ 3.99Å; F150-F152 HydrophobicContact CE1-CZ 3.99Å; F152-W158 WeakPolarHBondContact O-CZ2 3.08Å; F152-P163 HydrophobicContact CD1-CB 4.33Å; F152-P163 HydrophobicContact CD1-CG 4.18Å; F152-P163 HydrophobicContact CE1-CB 3.95Å; F152-P163 HydrophobicContact CE1-CG 4.31Å; F152-F164 HydrophobicContact CD1-CZ 4.33Å; F152-G203 WeakPolarHBondContact CZ-O 3.43Å; F152-V206 HydrophobicContact CE2-CG1 4.3Å; F152-V206 HydrophobicContact CZ-CB 4.49Å; F152-V206 HydrophobicContact CZ-CG1 4.3Å; F152-K207 HydrophobicContact CE2-CG 3.81Å; F152-K207 HydrophobicContact CZ-CD 4.25Å; F152-K207 HydrophobicContact CZ-CG 3.73Å
153	D	96.7	Very high	96.2	Very high	159 Å²	159	54.1 Å²	54.1	85%	0.85	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-6.6	-179	-60.2	-47.4	0	0	0	112.3	D151	D151-D153 PolarHBondContact O-N 2.47Å; D151-D153 PolarHBondContact OD1-N 2.93Å
154	N	96.8	Very high	96.2	Very high	68 Å²	68	60.4 Å²	60.4	36%	0.364	32%	0.322	S	S	.	.			trans	-124.5	95.1	-177.9	-176.5	-0.6	0	0	0	112.6	D151 S156 T157	D151-N154 HydrophobicContact CB-CB 3.95Å; D151-N154 PolarHBondContact O-N 2.97Å; D151-N154 WeakPolarHBondContact OD2-CB 3.47Å; N154-S156 PolarHBondContact ND2-OG 3.01Å; N154-S156 PolarHBondContact O-N 2.62Å; N154-S156 WeakPolarHBondContact OD1-CB 3.34Å; N154-S156 PolarHBondContact OD1-N 3.24Å; N154-S156 VanDerWaalsContact OD1-N 3.15Å; N154-S156 PolarHBondContact OD1-OG 3.27Å; N154-T157 HydrophobicContact CB-CG2 4.25Å; N154-T157 PolarHBondContact O-N 3.29Å; N154-T157 PolarHBondContact O-OG1 2.92Å
155	R	95.1	Very high	96.4	Very high	196 Å²	196	64.6 Å²	64.6	74%	0.74	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-55.8	-22.7	179.3	-69	-173.5	177.2	-174.4	-1.3	115.2	T157 W158	R155-T157 PolarHBondContact O-N 3.43Å; R155-W158 HydrophobicContact CB-CD2 4.32Å; R155-W158 HydrophobicContact CB-CE3 4.47Å; R155-W158 HydrophobicContact CG-CD2 4.13Å; R155-W158 HydrophobicContact CG-CE3 4.03Å; R155-W158 HydrophobicContact CG-CH2 3.94Å; R155-W158 HydrophobicContact CG-CZ2 4Å; R155-W158 HydrophobicContact CG-CZ3 3.95Å; R155-W158 WeakPolarHBondContact O-CB 3.29Å; R155-W158 PolarHBondContact O-N 2.74Å
156	S	96.1	Very high	96.6	Very high	100 Å²	100	65.6 Å²	65.6	70%	0.699	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-66.4	-22.3	177.3	69	0	0	0	0	112.8	N154 W158	N154-S156 PolarHBondContact ND2-OG 3.01Å; N154-S156 PolarHBondContact O-N 2.62Å; N154-S156 WeakPolarHBondContact OD1-CB 3.34Å; N154-S156 PolarHBondContact OD1-N 3.24Å; N154-S156 VanDerWaalsContact OD1-N 3.15Å; N154-S156 PolarHBondContact OD1-OG 3.27Å; S156-W158 VanDerWaalsContact C-N 3.33Å
157	T	96.8	Very high	96.7	Very high	32 Å²	32	66 Å²	66	20%	0.196	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-82.8	-10.1	178.4	69.7	0	0	0	0	113.3	W146 D151 N154 R155 D159	W146-T157 PolarHBondContact NE1-O 2.84Å; D151-T157 HydrophobicContact CB-CG2 4.11Å; D151-T157 PolarHBondContact N-OG1 2.83Å; D151-T157 PolarHBondContact O-OG1 2.75Å; N154-T157 HydrophobicContact CB-CG2 4.25Å; N154-T157 PolarHBondContact O-N 3.29Å; N154-T157 PolarHBondContact O-OG1 2.92Å; R155-T157 PolarHBondContact O-N 3.43Å; T157-D159 VanDerWaalsContact C-N 3.32Å; T157-D159 PolarHBondContact O-N 2.92Å
158	W	97.4	Very high	96.8	Very high	21 Å²	21	66 Å²	66	8%	0.08	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-77.9	-14.1	-168.5	-69.6	11.1	0	0	0	114.3	F150 D151 F152 R155 S156 G160 L161 D162 P163 F164	F150-W158 HydrophobicContact CE2-CB 4.2Å; F150-W158 AromaticContact CE2-CD1 3.53Å; F150-W158 AromaticContact CE2-CG 3.92Å; F150-W158 HydrophobicContact CE2-CG 3.92Å; F150-W158 AromaticContact CZ-CD1 3.47Å; F150-W158 VanDerWaalsContact CZ-CD1 3.47Å; F150-W158 HydrophobicContact CZ-CD2 4.39Å; F150-W158 AromaticContact CZ-CG 3.98Å; F150-W158 HydrophobicContact CZ-CG 3.98Å; F150-W158 AromaticContact CZ-NE1 3.64Å; D151-W158 PolarHBondContact O-NE1 2.8Å; F152-W158 WeakPolarHBondContact O-CZ2 3.08Å; R155-W158 HydrophobicContact CB-CD2 4.32Å; R155-W158 HydrophobicContact CB-CE3 4.47Å; R155-W158 HydrophobicContact CG-CD2 4.13Å; R155-W158 HydrophobicContact CG-CE3 4.03Å; R155-W158 HydrophobicContact CG-CH2 3.94Å; R155-W158 HydrophobicContact CG-CZ2 4Å; R155-W158 HydrophobicContact CG-CZ3 3.95Å; R155-W158 WeakPolarHBondContact O-CB 3.29Å; R155-W158 PolarHBondContact O-N 2.74Å; S156-W158 VanDerWaalsContact C-N 3.33Å; W158-G160 PolarHBondContact O-N 2.76Å; W158-L161 WeakPolarHBondContact CB-O 3.2Å; W158-L161 WeakPolarHBondContact O-CB 3.46Å; W158-L161 PolarHBondContact O-N 3.49Å; W158-D162 HydrophobicContact CE3-CB 4.12Å; W158-D162 HydrophobicContact CZ3-CB 3.93Å; W158-P163 HydrophobicContact CH2-CG 4.07Å; W158-P163 HydrophobicContact CZ2-CG 3.91Å; W158-P163 HydrophobicContact CZ3-CG 4.44Å; W158-F164 HydrophobicContact CH2-CD2 4.28Å; W158-F164 AromaticContact CH2-CE2 3.97Å; W158-F164 HydrophobicContact CH2-CE2 3.97Å; W158-F164 HydrophobicContact CZ2-CE2 4.32Å
159	D	92.8	Very high	96.9	Very high	68 Å²	68	66.6 Å²	66.6	36%	0.364	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	35.5	-176.4	-167.6	36.3	0	0	0	113.5	T157 L161 R174	T157-D159 VanDerWaalsContact C-N 3.32Å; T157-D159 PolarHBondContact O-N 2.92Å; D159-L161 VanDerWaalsContact C-N 3.28Å; D159-L161 PolarHBondContact O-N 2.87Å; D159-R174 VanDerWaalsContact CG-NH2 3.27Å; D159-R174 IonicContact OD1-CZ 3.11Å; D159-R174 IonicContact OD1-NE 3.49Å; D159-R174 IonicContact OD1-NH2 2.79Å; D159-R174 PolarHBondContact OD1-NH2 3.24Å; D159-R174 IonicContact OD2-CZ 2.65Å; D159-R174 IonicContact OD2-NE 2.88Å; D159-R174 PolarHBondContact OD2-NE 3Å; D159-R174 IonicContact OD2-NH2 2.92Å; D159-R174 PolarHBondContact OD2-NH2 2.99Å; D159-R174 VanDerWaalsContact OD2-NH2 3.09Å
160	G	95.3	Very high	97	Very high	71 Å²	71	64.3 Å²	64.3	73%	0.732	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	3.8	-178.5	0	0	0	0	0	115.2	W158	W158-G160 PolarHBondContact O-N 2.76Å
161	L	97.3	Very high	97.1	Very high	12 Å²	12	64.2 Å²	64.2	6%	0.063	35%	0.347	C	S	.	.			trans	-103.7	114.9	178	-65.2	165.8	0	0	0	110.5	W146 W158 D159 H166 D170 V171 R174 F175 F202	W146-L161 HydrophobicContact CH2-CD1 4.12Å; W146-L161 HydrophobicContact CZ2-CB 4.39Å; W146-L161 HydrophobicContact CZ2-CD1 3.98Å; W158-L161 WeakPolarHBondContact CB-O 3.2Å; W158-L161 WeakPolarHBondContact O-CB 3.46Å; W158-L161 PolarHBondContact O-N 3.49Å; D159-L161 VanDerWaalsContact C-N 3.28Å; D159-L161 PolarHBondContact O-N 2.87Å; L161-H166 HydrophobicContact CD2-CB 4.33Å; L161-D170 HydrophobicContact CD2-CB 4.18Å; L161-V171 HydrophobicContact CD1-CB 4.45Å; L161-V171 HydrophobicContact CD1-CG2 4.11Å; L161-R174 HydrophobicContact CD1-CB 3.91Å; L161-R174 HydrophobicContact CD1-CG 3.77Å; L161-R174 HydrophobicContact CD2-CB 4.47Å; L161-R174 HydrophobicContact CG-CG 4.41Å; L161-F175 HydrophobicContact CD1-CE2 4.35Å; L161-F202 HydrophobicContact CB-CE1 3.65Å; L161-F202 HydrophobicContact CB-CZ 3.83Å; L161-F202 WeakPolarHBondContact O-CZ 3.32Å
162	D	97.6	Very high	97.1	Very high	45 Å²	45	61.5 Å²	61.5	24%	0.241	33%	0.332	C	S	.	.			trans	-84.5	119.6	176.8	170.7	2.2	0	0	0	111.1	W158 F164 T165 H166 F202	W158-D162 HydrophobicContact CE3-CB 4.12Å; W158-D162 HydrophobicContact CZ3-CB 3.93Å; D162-F164 PolarHBondContact O-N 2.85Å; D162-F164 VanDerWaalsContact O-N 3.13Å; D162-F164 VanDerWaalsContact OD1-CD2 3.29Å; D162-F164 WeakPolarHBondContact OD1-CD2 3.11Å; D162-F164 PolarHBondContact OD1-N 3.47Å; D162-T165 VanDerWaalsContact CB-OG1 3.3Å; D162-T165 WeakPolarHBondContact CB-OG1 3.26Å; D162-T165 PolarHBondContact O-N 3.3Å; D162-T165 PolarHBondContact OD2-OG1 3.19Å; D162-H166 WeakPolarHBondContact CB-ND1 3.47Å; D162-H166 PolarHBondContact N-ND1 2.84Å; D162-H166 WeakPolarHBondContact O-CB 3.49Å; D162-H166 PolarHBondContact O-N 3.3Å; D162-H166 PolarHBondContact O-ND1 2.88Å; D162-F202 VanDerWaalsContact C-CE1 3.42Å; D162-F202 VanDerWaalsContact O-CE1 3.31Å; D162-F202 WeakPolarHBondContact O-CE1 3.37Å
163	P	97.7	Very high	97.1	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.013	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.9	-173.2	29.4	-36.8	0	0	0	114.7	F150 F152 W158 P201 F202 G203	F150-P163 HydrophobicContact CE1-CB 4.15Å; F150-P163 HydrophobicContact CE1-CG 4.15Å; F150-P163 HydrophobicContact CZ-CB 3.77Å; F150-P163 HydrophobicContact CZ-CG 3.72Å; F152-P163 HydrophobicContact CD1-CB 4.33Å; F152-P163 HydrophobicContact CD1-CG 4.18Å; F152-P163 HydrophobicContact CE1-CB 3.95Å; F152-P163 HydrophobicContact CE1-CG 4.31Å; W158-P163 HydrophobicContact CH2-CG 4.07Å; W158-P163 HydrophobicContact CZ2-CG 3.91Å; W158-P163 HydrophobicContact CZ3-CG 4.44Å; P163-P201 WeakPolarHBondContact O-CB 3.39Å; P163-F202 VanDerWaalsContact CA-CE1 3.42Å; P163-F202 HydrophobicContact CB-CD2 4.33Å; P163-F202 HydrophobicContact CB-CE1 4.29Å; P163-F202 HydrophobicContact CB-CE2 3.72Å; P163-F202 HydrophobicContact CB-CZ 3.7Å; P163-G203 PolarHBondContact O-N 2.65Å
164	F	97.6	Very high	97.2	Very high	134 Å²	134	66.1 Å²	66.1	59%	0.588	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-13	-178.4	-51.6	-68.4	0	0	0	113	F152 W158 D162	F152-F164 HydrophobicContact CD1-CZ 4.33Å; W158-F164 HydrophobicContact CH2-CD2 4.28Å; W158-F164 AromaticContact CH2-CE2 3.97Å; W158-F164 HydrophobicContact CH2-CE2 3.97Å; W158-F164 HydrophobicContact CZ2-CE2 4.32Å; D162-F164 PolarHBondContact O-N 2.85Å; D162-F164 VanDerWaalsContact O-N 3.13Å; D162-F164 VanDerWaalsContact OD1-CD2 3.29Å; D162-F164 WeakPolarHBondContact OD1-CD2 3.11Å; D162-F164 PolarHBondContact OD1-N 3.47Å
165	T	97.4	Very high	97.2	Very high	91 Å²	91	64.1 Å²	64.1	56%	0.558	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	-37.9	-172.4	56.2	0	0	0	0	113.7	D162	D162-T165 VanDerWaalsContact CB-OG1 3.3Å; D162-T165 WeakPolarHBondContact CB-OG1 3.26Å; D162-T165 PolarHBondContact O-N 3.3Å; D162-T165 PolarHBondContact OD2-OG1 3.19Å
166	H	98.5	Very high	97.3	Very high	65 Å²	65	60.9 Å²	60.9	30%	0.301	32%	0.322	S	S	.	.	S	Bend	trans	-81.5	145	178.2	-64.5	77.7	0	0	0	110.4	L161 D162 D170 P201 F202	L161-H166 HydrophobicContact CD2-CB 4.33Å; D162-H166 WeakPolarHBondContact CB-ND1 3.47Å; D162-H166 PolarHBondContact N-ND1 2.84Å; D162-H166 WeakPolarHBondContact O-CB 3.49Å; D162-H166 PolarHBondContact O-N 3.3Å; D162-H166 PolarHBondContact O-ND1 2.88Å; H166-D170 HydrophobicContact CB-CB 4.23Å; H166-P201 WeakPolarHBondContact O-CA 3.42Å; H166-F202 HydrophobicContact CB-CD1 4.04Å; H166-F202 HydrophobicContact CB-CE1 3.98Å; H166-F202 VanDerWaalsContact O-CD1 3.25Å; H166-F202 WeakPolarHBondContact O-CD1 3.26Å; H166-F202 PolarHBondContact O-N 3.26Å; H166-F202 VanDerWaalsContact O-N 3.1Å
167	T	98.4	Very high	97.3	Very high	32 Å²	32	56.8 Å²	56.8	20%	0.196	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-88.1	165	-176.6	67.2	0	0	0	0	111.5	L169 D170 V171 R199 E200	T167-L169 PolarHBondContact O-N 3.38Å; T167-L169 PolarHBondContact OG1-N 3.08Å; T167-D170 PolarHBondContact N-OD2 2.69Å; T167-D170 WeakPolarHBondContact O-CB 3.49Å; T167-D170 PolarHBondContact O-N 3.02Å; T167-D170 PolarHBondContact OG1-N 3.26Å; T167-D170 PolarHBondContact OG1-OD2 3.23Å; T167-V171 PolarHBondContact O-N 3.13Å; T167-R199 VanDerWaalsContact CG2-O 3.29Å; T167-R199 WeakPolarHBondContact CG2-O 3.34Å; T167-E200 VanDerWaalsContact CA-O 3.29Å; T167-E200 WeakPolarHBondContact CA-O 3.32Å
168	M	98.3	Very high	97.2	Very high	1 Å²	1	58 Å²	58	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-25.7	172.9	-165.1	67.2	-157.2	0	0	112.6	F143 D170 V171 Y172 Y197 K198 E200 F202 T205	F143-M168 HydrophobicContact CE2-CE 3.76Å; F143-M168 HydrophobicContact CZ-CE 3.8Å; M168-D170 VanDerWaalsContact C-N 3.3Å; M168-D170 PolarHBondContact O-N 3.14Å; M168-V171 HydrophobicContact CE-CB 3.92Å; M168-V171 HydrophobicContact CE-CG1 3.67Å; M168-V171 WeakPolarHBondContact O-CB 3.19Å; M168-V171 PolarHBondContact O-N 2.75Å; M168-V171 HydrophobicContact SD-CB 3.95Å; M168-V171 HydrophobicContact SD-CG1 4.2Å; M168-V171 HydrophobicContact SD-CG2 4.03Å; M168-Y172 HydrophobicContact CB-CE2 4.36Å; M168-Y172 HydrophobicContact CE-CD1 3.77Å; M168-Y172 HydrophobicContact CE-CE1 3.24Å; M168-Y172 HydrophobicContact CE-CE2 4.27Å; M168-Y172 HydrophobicContact CE-CG 4.48Å; M168-Y172 HydrophobicContact CG-CD2 4.07Å; M168-Y172 HydrophobicContact CG-CE1 4.23Å; M168-Y172 HydrophobicContact CG-CE2 3.49Å; M168-Y172 VanDerWaalsContact CG-CE2 3.49Å; M168-Y172 WeakPolarHBondContact O-CD2 3.46Å; M168-Y172 PolarHBondContact O-N 3.4Å; M168-Y197 HydrophobicContact CB-CD2 4.35Å; M168-Y197 HydrophobicContact CB-CE2 4.34Å; M168-Y197 HydrophobicContact CG-CD2 4.32Å; M168-Y197 HydrophobicContact CG-CE2 3.91Å; M168-K198 PolarHBondContact N-O 3.04Å; M168-E200 PolarHBondContact N-O 2.94Å; M168-F202 HydrophobicContact CB-CB 4.26Å; M168-F202 HydrophobicContact SD-CB 3.78Å; M168-T205 HydrophobicContact CE-CG2 4.15Å; M168-T205 HydrophobicContact CG-CG2 4.2Å; M168-T205 HydrophobicContact SD-CG2 3.61Å
169	L	97.9	Very high	97	Very high	76 Å²	76	61.5 Å²	61.5	40%	0.398	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-39.1	169.7	-73.7	168.8	0	0	0	112.2	T167 V171 Y172 K173 K198 R199	T167-L169 PolarHBondContact O-N 3.38Å; T167-L169 PolarHBondContact OG1-N 3.08Å; L169-V171 VanDerWaalsContact C-N 3.32Å; L169-Y172 PolarHBondContact O-N 2.99Å; L169-K173 WeakPolarHBondContact O-CB 3.22Å; L169-K173 PolarHBondContact O-N 2.94Å; L169-K198 HydrophobicContact CD1-CB 4.46Å; L169-K198 HydrophobicContact CD2-CB 4.12Å; L169-K198 HydrophobicContact CG-CB 3.94Å; L169-K198 WeakPolarHBondContact CG-O 3.2Å; L169-K198 PolarHBondContact N-O 3.22Å; L169-R199 HydrophobicContact CD1-CG 4.17Å
170	D	98.2	Very high	97	Very high	63 Å²	63	61.2 Å²	61.2	34%	0.337	32%	0.316	S	S	.	.	H	α-helix	trans	-65.1	-39.6	176.6	-59.2	-53.9	0	0	0	110.8	L161 H166 T167 M168 K173 R174	L161-D170 HydrophobicContact CD2-CB 4.18Å; H166-D170 HydrophobicContact CB-CB 4.23Å; T167-D170 PolarHBondContact N-OD2 2.69Å; T167-D170 WeakPolarHBondContact O-CB 3.49Å; T167-D170 PolarHBondContact O-N 3.02Å; T167-D170 PolarHBondContact OG1-N 3.26Å; T167-D170 PolarHBondContact OG1-OD2 3.23Å; M168-D170 VanDerWaalsContact C-N 3.3Å; M168-D170 PolarHBondContact O-N 3.14Å; D170-K173 PolarHBondContact O-N 3.03Å; D170-R174 VanDerWaalsContact O-CB 3.3Å; D170-R174 WeakPolarHBondContact O-CB 3.26Å; D170-R174 PolarHBondContact O-N 3Å
171	V	98.3	Very high	96.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-52.2	173.5	-177.4	0	0	0	0	110.8	F143 W146 L161 T167 M168 L169 K173 R174 F175 F202	F143-V171 HydrophobicContact CD2-CG1 4.15Å; F143-V171 HydrophobicContact CE2-CG1 3.77Å; W146-V171 HydrophobicContact CE3-CG1 4.48Å; W146-V171 HydrophobicContact CH2-CG1 4.01Å; W146-V171 HydrophobicContact CH2-CG2 4.23Å; W146-V171 HydrophobicContact CZ3-CG1 3.62Å; L161-V171 HydrophobicContact CD1-CB 4.45Å; L161-V171 HydrophobicContact CD1-CG2 4.11Å; T167-V171 PolarHBondContact O-N 3.13Å; M168-V171 HydrophobicContact CE-CB 3.92Å; M168-V171 HydrophobicContact CE-CG1 3.67Å; M168-V171 WeakPolarHBondContact O-CB 3.19Å; M168-V171 PolarHBondContact O-N 2.75Å; M168-V171 HydrophobicContact SD-CB 3.95Å; M168-V171 HydrophobicContact SD-CG1 4.2Å; M168-V171 HydrophobicContact SD-CG2 4.03Å; L169-V171 VanDerWaalsContact C-N 3.32Å; V171-K173 VanDerWaalsContact C-N 3.26Å; V171-K173 PolarHBondContact O-N 3.03Å; V171-R174 WeakPolarHBondContact O-CB 3.37Å; V171-R174 PolarHBondContact O-N 2.87Å; V171-R174 VanDerWaalsContact O-N 3.09Å; V171-F175 HydrophobicContact CG1-CD2 3.89Å; V171-F175 HydrophobicContact CG1-CE2 4.14Å; V171-F175 WeakPolarHBondContact O-CD2 3.24Å; V171-F175 PolarHBondContact O-N 2.94Å; V171-F202 HydrophobicContact CG2-CB 3.59Å; V171-F202 HydrophobicContact CG2-CD1 3.47Å; V171-F202 VanDerWaalsContact CG2-CD1 3.47Å; V171-F202 HydrophobicContact CG2-CD2 3.99Å; V171-F202 HydrophobicContact CG2-CE1 4.13Å; V171-F202 HydrophobicContact CG2-CG 3.41Å; V171-F202 VanDerWaalsContact CG2-CG 3.41Å
172	Y	98	Very high	96.8	Very high	9 Å²	9	57.5 Å²	57.5	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-58.7	-40.3	179.6	-66.5	-41.6	0	0	0	112	M168 L169 E176 L177 A182 T185 Y197 K198	M168-Y172 HydrophobicContact CB-CE2 4.36Å; M168-Y172 HydrophobicContact CE-CD1 3.77Å; M168-Y172 HydrophobicContact CE-CE1 3.24Å; M168-Y172 HydrophobicContact CE-CE2 4.27Å; M168-Y172 HydrophobicContact CE-CG 4.48Å; M168-Y172 HydrophobicContact CG-CD2 4.07Å; M168-Y172 HydrophobicContact CG-CE1 4.23Å; M168-Y172 HydrophobicContact CG-CE2 3.49Å; M168-Y172 VanDerWaalsContact CG-CE2 3.49Å; M168-Y172 WeakPolarHBondContact O-CD2 3.46Å; M168-Y172 PolarHBondContact O-N 3.4Å; L169-Y172 PolarHBondContact O-N 2.99Å; Y172-E176 WeakPolarHBondContact O-CA 3.44Å; Y172-E176 PolarHBondContact O-N 3.42Å; Y172-L177 HydrophobicContact CD1-CB 4.37Å; Y172-L177 HydrophobicContact CD1-CD1 4.01Å; Y172-L177 HydrophobicContact CE1-CD1 4.45Å; Y172-L177 PolarHBondContact O-N 2.6Å; Y172-A182 HydrophobicContact CD1-CB 3.92Å; Y172-A182 HydrophobicContact CD2-CB 3.64Å; Y172-A182 HydrophobicContact CE1-CB 3.93Å; Y172-A182 HydrophobicContact CE2-CB 3.66Å; Y172-A182 HydrophobicContact CG-CB 3.79Å; Y172-A182 PolarHBondContact OH-O 2.97Å; Y172-T185 HydrophobicContact CE1-CG2 4.23Å; Y172-Y197 HydrophobicContact CE2-CE2 4.34Å; Y172-Y197 WeakPolarHBondContact OH-CE2 3.31Å; Y172-Y197 PolarHBondContact OH-OH 3.45Å; Y172-K198 HydrophobicContact CE2-CG 4.31Å
173	K	97.6	Very high	96.6	Very high	168 Å²	168	55.6 Å²	55.6	73%	0.73	27%	0.27	S	S	*	.	H	α-helix	trans	-65.3	-42.6	174.4	-173.9	179.2	178.7	-177	0	112.3	L169 D170 V171 F175 E176	L169-K173 WeakPolarHBondContact O-CB 3.22Å; L169-K173 PolarHBondContact O-N 2.94Å; D170-K173 PolarHBondContact O-N 3.03Å; V171-K173 VanDerWaalsContact C-N 3.26Å; V171-K173 PolarHBondContact O-N 3.03Å; K173-F175 VanDerWaalsContact C-N 3.33Å; K173-F175 PolarHBondContact O-N 3.37Å; K173-E176 PolarHBondContact O-N 3.24Å; K173-E176 VanDerWaalsContact O-N 3.14Å
174	R	97.6	Very high	96.4	Very high	135 Å²	135	55.7 Å²	55.7	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-41.4	178.7	174.6	59.1	178	178	-3.2	112.2	D159 L161 D170 V171 E176	D159-R174 VanDerWaalsContact CG-NH2 3.27Å; D159-R174 IonicContact OD1-CZ 3.11Å; D159-R174 IonicContact OD1-NE 3.49Å; D159-R174 IonicContact OD1-NH2 2.79Å; D159-R174 PolarHBondContact OD1-NH2 3.24Å; D159-R174 IonicContact OD2-CZ 2.65Å; D159-R174 IonicContact OD2-NE 2.88Å; D159-R174 PolarHBondContact OD2-NE 3Å; D159-R174 IonicContact OD2-NH2 2.92Å; D159-R174 PolarHBondContact OD2-NH2 2.99Å; D159-R174 VanDerWaalsContact OD2-NH2 3.09Å; L161-R174 HydrophobicContact CD1-CB 3.91Å; L161-R174 HydrophobicContact CD1-CG 3.77Å; L161-R174 HydrophobicContact CD2-CB 4.47Å; L161-R174 HydrophobicContact CG-CG 4.41Å; D170-R174 VanDerWaalsContact O-CB 3.3Å; D170-R174 WeakPolarHBondContact O-CB 3.26Å; D170-R174 PolarHBondContact O-N 3Å; V171-R174 WeakPolarHBondContact O-CB 3.37Å; V171-R174 PolarHBondContact O-N 2.87Å; V171-R174 VanDerWaalsContact O-N 3.09Å; R174-E176 VanDerWaalsContact C-N 3.3Å
175	F	97	Very high	96.3	Very high	26 Å²	26	49.3 Å²	49.3	11%	0.114	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	1.4	178	-72.5	-83.4	0	0	0	113.6	K142 F143 W146 L161 V171 K173 L177	K142-F175 HydrophobicContact CB-CD1 4.48Å; F143-F175 HydrophobicContact CB-CB 4.15Å; F143-F175 HydrophobicContact CB-CD1 3.82Å; F143-F175 HydrophobicContact CB-CE1 4.43Å; F143-F175 HydrophobicContact CB-CG 3.89Å; F143-F175 AromaticContact CD2-CD2 3.9Å; F143-F175 HydrophobicContact CD2-CD2 3.9Å; F143-F175 HydrophobicContact CD2-CE2 4.31Å; F143-F175 HydrophobicContact CD2-CG 4.09Å; F143-F175 HydrophobicContact CG-CG 4.49Å; W146-F175 HydrophobicContact CB-CE1 3.82Å; W146-F175 HydrophobicContact CB-CE2 4.47Å; W146-F175 HydrophobicContact CB-CZ 3.49Å; W146-F175 VanDerWaalsContact CB-CZ 3.49Å; W146-F175 AromaticContact CD1-CZ 3.97Å; W146-F175 AromaticContact CD2-CE2 3.62Å; W146-F175 HydrophobicContact CD2-CE2 3.62Å; W146-F175 AromaticContact CD2-CZ 3.41Å; W146-F175 HydrophobicContact CD2-CZ 3.41Å; W146-F175 VanDerWaalsContact CD2-CZ 3.41Å; W146-F175 HydrophobicContact CE3-CD2 4.48Å; W146-F175 AromaticContact CE3-CE2 3.52Å; W146-F175 HydrophobicContact CE3-CE2 3.52Å; W146-F175 AromaticContact CE3-CZ 3.71Å; W146-F175 HydrophobicContact CE3-CZ 3.71Å; W146-F175 HydrophobicContact CG-CE1 4.16Å; W146-F175 HydrophobicContact CG-CE2 4.07Å; W146-F175 AromaticContact CG-CZ 3.33Å; W146-F175 HydrophobicContact CG-CZ 3.33Å; W146-F175 HydrophobicContact CH2-CE2 4.44Å; W146-F175 AromaticContact CZ3-CE2 3.97Å; W146-F175 HydrophobicContact CZ3-CE2 3.97Å; L161-F175 HydrophobicContact CD1-CE2 4.35Å; V171-F175 HydrophobicContact CG1-CD2 3.89Å; V171-F175 HydrophobicContact CG1-CE2 4.14Å; V171-F175 WeakPolarHBondContact O-CD2 3.24Å; V171-F175 PolarHBondContact O-N 2.94Å; K173-F175 VanDerWaalsContact C-N 3.33Å; K173-F175 PolarHBondContact O-N 3.37Å; F175-L177 HydrophobicContact CB-CD1 4.4Å; F175-L177 HydrophobicContact CB-CD2 4.22Å; F175-L177 HydrophobicContact CB-CG 3.88Å; F175-L177 PolarHBondContact O-N 3.43Å
176	E	97.1	Very high	96.2	Very high	127 Å²	127	45 Å²	45	59%	0.593	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	36.4	-177.5	-56.5	174.5	-172.2	0	0	113.2	R139 Y172 K173 R174	R139-E176 VanDerWaalsContact CD-O 3.26Å; R139-E176 WeakPolarHBondContact CD-O 3.29Å; R139-E176 PolarHBondContact NE-O 2.95Å; R139-E176 VanDerWaalsContact NE-O 3.16Å; R139-E176 PolarHBondContact NH1-O 3.13Å; R139-E176 IonicContact NH1-OE2 2.97Å; R139-E176 PolarHBondContact NH1-OE2 2.86Å; Y172-E176 WeakPolarHBondContact O-CA 3.44Å; Y172-E176 PolarHBondContact O-N 3.42Å; K173-E176 PolarHBondContact O-N 3.24Å; K173-E176 VanDerWaalsContact O-N 3.14Å; R174-E176 VanDerWaalsContact C-N 3.3Å
177	L	96.8	Very high	96.1	Very high	15 Å²	15	41.9 Å²	41.9	8%	0.079	20%	0.201	C	C	.	.			trans	-74.7	135.3	177.7	-57.8	-171.4	0	0	0	109.8	R139 F140 F143 Y172 F175 T181	R139-L177 HydrophobicContact CB-CD2 3.77Å; F140-L177 HydrophobicContact CB-CD2 4.37Å; F140-L177 HydrophobicContact CD2-CD1 4.24Å; F143-L177 HydrophobicContact CB-CD1 3.98Å; F143-L177 HydrophobicContact CB-CD2 4.49Å; F143-L177 HydrophobicContact CD1-CD1 3.93Å; F143-L177 HydrophobicContact CD2-CD1 4.18Å; F143-L177 HydrophobicContact CE1-CD1 4.48Å; F143-L177 HydrophobicContact CG-CD1 3.74Å; Y172-L177 HydrophobicContact CD1-CB 4.37Å; Y172-L177 HydrophobicContact CD1-CD1 4.01Å; Y172-L177 HydrophobicContact CE1-CD1 4.45Å; Y172-L177 PolarHBondContact O-N 2.6Å; F175-L177 HydrophobicContact CB-CD1 4.4Å; F175-L177 HydrophobicContact CB-CD2 4.22Å; F175-L177 HydrophobicContact CB-CG 3.88Å; F175-L177 PolarHBondContact O-N 3.43Å; L177-T181 HydrophobicContact CB-CG2 4.16Å; L177-T181 HydrophobicContact CD1-CG2 4.07Å; L177-T181 HydrophobicContact CD2-CG2 4.15Å; L177-T181 HydrophobicContact CG-CG2 4.35Å
178	D	94.9	Very high	95.9	Very high	56 Å²	56	40.4 Å²	40.4	30%	0.299	19%	0.192	S	C	.	.			trans	-72.9	166	176.9	79	34.8	0	0	0	112.1	E136 N180 T181 A182	E136-D178 PolarHBondContact OE1-N 2.69Å; D178-N180 VanDerWaalsContact C-N 3.25Å; D178-N180 PolarHBondContact O-N 3.1Å; D178-N180 WeakPolarHBondContact OD1-CA 3.36Å; D178-N180 WeakPolarHBondContact OD1-CB 3.44Å; D178-N180 PolarHBondContact OD1-N 3.19Å; D178-T181 PolarHBondContact O-N 3.24Å; D178-T181 VanDerWaalsContact O-N 3.1Å; D178-T181 PolarHBondContact OD1-N 3.23Å; D178-T181 PolarHBondContact OD1-OG1 3.39Å; D178-A182 WeakPolarHBondContact O-CB 3.41Å; D178-A182 PolarHBondContact O-N 3.39Å
179	D	93.1	Very high	95.7	Very high	95 Å²	95	40.4 Å²	40.4	51%	0.508	19%	0.192	S	C	.	.	H	α-helix	trans	-55.4	-38.2	-179.1	-90.5	16.9	0	0	0	113.1	D183 R324	D179-D183 WeakPolarHBondContact O-CB 3.34Å; D179-D183 PolarHBondContact O-N 3.26Å; D179-R324 IonicContact OD2-CZ 3.84Å; D179-R324 IonicContact OD2-NH1 3.87Å; D179-R324 PolarHBondContact OD2-NH1 3.43Å; D179-R324 VanDerWaalsContact OD2-NH1 3.16Å; D179-R324 IonicContact OD2-NH2 2.91Å; D179-R324 PolarHBondContact OD2-NH2 3.4Å
180	N	92.5	Very high	95.6	Very high	63 Å²	63	36.9 Å²	36.9	34%	0.337	17%	0.174	S	C	.	.	H	α-helix	trans	-71.6	-37.4	179.8	-65	-64.4	0	0	0	111.2	D178 D183 F184 Q325	D178-N180 VanDerWaalsContact C-N 3.25Å; D178-N180 PolarHBondContact O-N 3.1Å; D178-N180 WeakPolarHBondContact OD1-CA 3.36Å; D178-N180 WeakPolarHBondContact OD1-CB 3.44Å; D178-N180 PolarHBondContact OD1-N 3.19Å; N180-D183 WeakPolarHBondContact O-CB 2.84Å; N180-D183 PolarHBondContact O-N 2.83Å; N180-F184 VanDerWaalsContact O-CD1 3.26Å; N180-F184 WeakPolarHBondContact O-CD1 2.98Å; N180-F184 PolarHBondContact O-N 2.89Å; N180-F184 VanDerWaalsContact O-N 3.07Å; N180-Q325 PolarHBondContact OD1-NE2 3.07Å
181	T	94.1	Very high	95.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.9	-43.9	177	-57.9	0	0	0	0	111.3	M132 E136 F140 L177 D178 D183 F184 T185	M132-T181 HydrophobicContact SD-CG2 3.8Å; E136-T181 VanDerWaalsContact CG-OG1 3.24Å; E136-T181 WeakPolarHBondContact CG-OG1 3.41Å; E136-T181 WeakPolarHBondContact OE1-CB 3.41Å; E136-T181 PolarHBondContact OE1-OG1 2.97Å; F140-T181 HydrophobicContact CB-CG2 4.23Å; F140-T181 HydrophobicContact CD2-CG2 3.47Å; F140-T181 VanDerWaalsContact CD2-CG2 3.47Å; F140-T181 HydrophobicContact CE2-CG2 4.13Å; F140-T181 HydrophobicContact CG-CG2 4.06Å; L177-T181 HydrophobicContact CB-CG2 4.16Å; L177-T181 HydrophobicContact CD1-CG2 4.07Å; L177-T181 HydrophobicContact CD2-CG2 4.15Å; L177-T181 HydrophobicContact CG-CG2 4.35Å; D178-T181 PolarHBondContact O-N 3.24Å; D178-T181 VanDerWaalsContact O-N 3.1Å; D178-T181 PolarHBondContact OD1-N 3.23Å; D178-T181 PolarHBondContact OD1-OG1 3.39Å; T181-D183 VanDerWaalsContact C-N 3.3Å; T181-D183 PolarHBondContact O-N 2.84Å; T181-F184 VanDerWaalsContact CA-CE1 3.43Å; T181-F184 HydrophobicContact CG2-CE1 3.74Å; T181-F184 HydrophobicContact CG2-CZ 3.9Å; T181-T185 VanDerWaalsContact O-CB 3.24Å; T181-T185 WeakPolarHBondContact O-CB 3.33Å; T181-T185 PolarHBondContact O-N 3.45Å; T181-T185 PolarHBondContact O-OG1 3.48Å
182	A	95	Very high	95.3	Very high	5 Å²	5	36 Å²	36	4%	0.041	17%	0.167	C	C	.	.	H	α-helix	trans	-57.8	-43.9	172.5	0	0	0	0	0	111.7	Y172 D178 T185 G186 Y197	Y172-A182 HydrophobicContact CD1-CB 3.92Å; Y172-A182 HydrophobicContact CD2-CB 3.64Å; Y172-A182 HydrophobicContact CE1-CB 3.93Å; Y172-A182 HydrophobicContact CE2-CB 3.66Å; Y172-A182 HydrophobicContact CG-CB 3.79Å; Y172-A182 PolarHBondContact OH-O 2.97Å; D178-A182 WeakPolarHBondContact O-CB 3.41Å; D178-A182 PolarHBondContact O-N 3.39Å; A182-T185 PolarHBondContact O-N 3.36Å; A182-G186 PolarHBondContact O-N 3.41Å; A182-Y197 PolarHBondContact O-OH 2.85Å
183	D	92.9	Very high	94.9	Very high	4 Å²	4	38 Å²	38	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-59.3	179	-163.6	51.2	0	0	0	112	D179 N180 T181 T185 G186 H187 P322	D179-D183 WeakPolarHBondContact O-CB 3.34Å; D179-D183 PolarHBondContact O-N 3.26Å; N180-D183 WeakPolarHBondContact O-CB 2.84Å; N180-D183 PolarHBondContact O-N 2.83Å; T181-D183 VanDerWaalsContact C-N 3.3Å; T181-D183 PolarHBondContact O-N 2.84Å; D183-T185 PolarHBondContact O-N 3.01Å; D183-G186 PolarHBondContact O-N 3.38Å; D183-H187 PolarHBondContact O-CD2 3.09Å; D183-H187 PolarHBondContact O-N 2.91Å; D183-H187 IonicContact OD1-CD2 2.77Å; D183-H187 PolarHBondContact OD1-CD2 3.39Å; D183-H187 IonicContact OD1-NE2 3.09Å; D183-H187 PolarHBondContact OD1-NE2 3.2Å; D183-P322 WeakPolarHBondContact OD2-CB 3.46Å
184	F	93.3	Very high	94.5	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.018	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-28	179.6	83.6	-106.4	0	0	0	112.4	V110 P120 L131 M132 F140 N180 T181 A188 L189	V110-F184 HydrophobicContact CG1-CB 4.18Å; V110-F184 HydrophobicContact CG2-CB 3.95Å; P120-F184 HydrophobicContact CG-CE2 4.12Å; P120-F184 HydrophobicContact CG-CZ 4.31Å; L131-F184 HydrophobicContact CD2-CB 4.43Å; L131-F184 HydrophobicContact CD2-CD1 3.48Å; L131-F184 VanDerWaalsContact CD2-CD1 3.48Å; L131-F184 HydrophobicContact CD2-CD2 3.89Å; L131-F184 HydrophobicContact CD2-CE1 3.54Å; L131-F184 HydrophobicContact CD2-CE2 3.99Å; L131-F184 HydrophobicContact CD2-CG 3.69Å; L131-F184 HydrophobicContact CD2-CZ 3.85Å; L131-F184 HydrophobicContact CG-CD1 4.08Å; L131-F184 HydrophobicContact CG-CE1 4.1Å; M132-F184 HydrophobicContact CE-CE1 4.01Å; M132-F184 HydrophobicContact CE-CZ 3.6Å; M132-F184 HydrophobicContact CG-CE1 4.05Å; M132-F184 HydrophobicContact SD-CE1 3.72Å; M132-F184 HydrophobicContact SD-CZ 3.74Å; F140-F184 HydrophobicContact CD1-CZ 4.27Å; F140-F184 HydrophobicContact CD2-CZ 4.15Å; F140-F184 HydrophobicContact CE1-CE2 4Å; F140-F184 AromaticContact CE1-CZ 3.93Å; F140-F184 HydrophobicContact CE1-CZ 3.93Å; F140-F184 AromaticContact CE2-CE2 3.94Å; F140-F184 HydrophobicContact CE2-CE2 3.94Å; F140-F184 AromaticContact CE2-CZ 3.83Å; F140-F184 HydrophobicContact CE2-CZ 3.83Å; F140-F184 HydrophobicContact CG-CZ 4.36Å; F140-F184 AromaticContact CZ-CE2 3.53Å; F140-F184 HydrophobicContact CZ-CE2 3.53Å; F140-F184 AromaticContact CZ-CZ 3.7Å; F140-F184 HydrophobicContact CZ-CZ 3.7Å; N180-F184 VanDerWaalsContact O-CD1 3.26Å; N180-F184 WeakPolarHBondContact O-CD1 2.98Å; N180-F184 PolarHBondContact O-N 2.89Å; N180-F184 VanDerWaalsContact O-N 3.07Å; T181-F184 VanDerWaalsContact CA-CE1 3.43Å; T181-F184 HydrophobicContact CG2-CE1 3.74Å; T181-F184 HydrophobicContact CG2-CZ 3.9Å; F184-A188 WeakPolarHBondContact O-CA 3.29Å; F184-A188 WeakPolarHBondContact O-CB 3.37Å; F184-A188 PolarHBondContact O-N 2.93Å; F184-L189 HydrophobicContact CD2-CD1 3.7Å; F184-L189 HydrophobicContact CE2-CD1 3.73Å; F184-L189 PolarHBondContact O-N 3.18Å
185	T	95.4	Very high	94.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	I	π-helix	trans	-64.3	-47.3	175.9	-60.7	0	0	0	0	111.3	F140 F143 Y172 T181 A182 D183 L189 A190 I209	F140-T185 VanDerWaalsContact CE2-OG1 3.3Å; F140-T185 WeakPolarHBondContact CE2-OG1 3.16Å; F143-T185 HydrophobicContact CE1-CG2 3.69Å; F143-T185 HydrophobicContact CZ-CG2 3.94Å; Y172-T185 HydrophobicContact CE1-CG2 4.23Å; T181-T185 VanDerWaalsContact O-CB 3.24Å; T181-T185 WeakPolarHBondContact O-CB 3.33Å; T181-T185 PolarHBondContact O-N 3.45Å; T181-T185 PolarHBondContact O-OG1 3.48Å; A182-T185 PolarHBondContact O-N 3.36Å; D183-T185 PolarHBondContact O-N 3.01Å; T185-L189 WeakPolarHBondContact O-CB 3.37Å; T185-L189 PolarHBondContact O-N 3.42Å; T185-A190 PolarHBondContact O-N 3Å; T185-I209 HydrophobicContact CG2-CD1 3.77Å
186	G	96.1	Very high	94	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-65.1	-48.9	178	0	0	0	0	0	113.3	A182 D183 A190 L191 Y192 Y197	A182-G186 PolarHBondContact O-N 3.41Å; D183-G186 PolarHBondContact O-N 3.38Å; G186-A190 CarbonylContact O-C 3.6Å; G186-A190 VanDerWaalsContact O-C 3.32Å; G186-A190 WeakPolarHBondContact O-CB 3.43Å; G186-L191 PolarHBondContact O-N 2.95Å; G186-Y192 PolarHBondContact O-N 3.37Å; G186-Y197 VanDerWaalsContact CA-CZ 3.49Å; G186-Y197 WeakPolarHBondContact CA-OH 3.5Å
187	H	95.6	Very high	93.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.134	C	C	.	.	I	π-helix	trans	-86.6	-37.6	-169.2	-63.6	-62.5	0	0	0	113.1	D183 L191 Y192 D195 I320 P322 D331	D183-H187 PolarHBondContact O-CD2 3.09Å; D183-H187 PolarHBondContact O-N 2.91Å; D183-H187 IonicContact OD1-CD2 2.77Å; D183-H187 PolarHBondContact OD1-CD2 3.39Å; D183-H187 IonicContact OD1-NE2 3.09Å; D183-H187 PolarHBondContact OD1-NE2 3.2Å; H187-L191 WeakPolarHBondContact O-CA 3.41Å; H187-Y192 PolarHBondContact ND1-O 2.93Å; H187-D195 IonicContact CE1-OD1 3.85Å; H187-D195 IonicContact NE2-OD1 3.6Å; H187-D195 PolarHBondContact NE2-OD1 3.1Å; H187-I320 HydrophobicContact CB-CG2 4.49Å; H187-I320 WeakPolarHBondContact O-CD1 3.49Å; H187-P322 HydrophobicContact CB-CG 4.41Å; H187-D331 WeakPolarHBondContact CB-OD2 3.47Å; H187-D331 IonicContact CG-OD2 3.21Å; H187-D331 IonicContact ND1-OD1 2.8Å; H187-D331 IonicContact ND1-OD2 3.4Å; H187-D331 PolarHBondContact ND1-OD2 2.9Å
188	A	94.3	Very high	93.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.008	13%	0.134	C	C	.	.	I	π-helix	trans	-97.9	-34.1	-175.4	0	0	0	0	0	114.6	V110 V119 F184 L191 Y212	V110-A188 HydrophobicContact CB-CB 4.1Å; V110-A188 HydrophobicContact CG2-CB 4.18Å; V119-A188 HydrophobicContact CG1-CB 4.24Å; V119-A188 HydrophobicContact CG2-CB 3.83Å; F184-A188 WeakPolarHBondContact O-CA 3.29Å; F184-A188 WeakPolarHBondContact O-CB 3.37Å; F184-A188 PolarHBondContact O-N 2.93Å; A188-L191 WeakPolarHBondContact O-CD2 3.4Å; A188-Y212 WeakPolarHBondContact O-CE2 3.27Å
189	L	94.5	Very high	94	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.154	C	C	.	.	I	π-helix	trans	-91.7	-49.2	174.6	-70.5	99.4	0	0	0	112	V119 A121 F140 L144 F184 T185 I209 Y212	V119-L189 HydrophobicContact CG1-CD1 3.74Å; V119-L189 HydrophobicContact CG1-CG 3.9Å; A121-L189 HydrophobicContact CB-CD2 4.23Å; F140-L189 HydrophobicContact CZ-CD1 4.3Å; L144-L189 HydrophobicContact CD2-CD2 4.31Å; F184-L189 HydrophobicContact CD2-CD1 3.7Å; F184-L189 HydrophobicContact CE2-CD1 3.73Å; F184-L189 PolarHBondContact O-N 3.18Å; T185-L189 WeakPolarHBondContact O-CB 3.37Å; T185-L189 PolarHBondContact O-N 3.42Å; L189-I209 HydrophobicContact CB-CG1 4.32Å; L189-I209 HydrophobicContact CD2-CG2 4.29Å; L189-Y212 HydrophobicContact CB-CG 4.49Å; L189-Y212 HydrophobicContact CD2-CD1 4.34Å; L189-Y212 HydrophobicContact CG-CD1 4.48Å; L189-Y212 WeakPolarHBondContact O-CB 3.48Å; L189-Y212 VanDerWaalsContact O-CD2 3.28Å; L189-Y212 WeakPolarHBondContact O-CD2 3.18Å
190	A	95.8	Very high	94.2	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	15%	0.154	C	C	.	.	S	Bend	trans	-87.5	-8.9	-177.2	0	0	0	0	0	114.1	T185 G186 Y192 T205 R208 I209	T185-A190 PolarHBondContact O-N 3Å; G186-A190 CarbonylContact O-C 3.6Å; G186-A190 VanDerWaalsContact O-C 3.32Å; G186-A190 WeakPolarHBondContact O-CB 3.43Å; A190-Y192 VanDerWaalsContact C-N 3.26Å; A190-Y192 HydrophobicContact CB-CD2 3.68Å; A190-Y192 HydrophobicContact CB-CE2 3.7Å; A190-Y192 PolarHBondContact O-N 2.83Å; A190-T205 HydrophobicContact CB-CG2 4.08Å; A190-R208 HydrophobicContact CB-CB 4.03Å; A190-R208 WeakPolarHBondContact O-CD 3.17Å; A190-I209 HydrophobicContact CB-CG1 4.1Å
191	L	95	Very high	94.5	Very high	13 Å²	13	31.2 Å²	31.2	7%	0.068	16%	0.155	C	C	.	.			trans	56.2	36.9	175.3	-51.3	-178.5	0	0	0	113.7	M82 G186 H187 A188 Y224 I320	M82-L191 HydrophobicContact CE-CD1 3.48Å; M82-L191 VanDerWaalsContact CE-CD1 3.48Å; G186-L191 PolarHBondContact O-N 2.95Å; H187-L191 WeakPolarHBondContact O-CA 3.41Å; A188-L191 WeakPolarHBondContact O-CD2 3.4Å; L191-Y224 HydrophobicContact CD1-CE1 4.4Å; L191-Y224 WeakPolarHBondContact CD2-OH 3.49Å; L191-I320 HydrophobicContact CD2-CD1 3.96Å
192	Y	94.9	Very high	94.7	Very high	31 Å²	31	31.2 Å²	31.2	12%	0.122	16%	0.155	C	C	.	.			trans	-72.1	154.7	166.3	-71.4	-71.7	0	0	0	110.6	G186 H187 A190 Y197 T205 R208	G186-Y192 PolarHBondContact O-N 3.37Å; H187-Y192 PolarHBondContact ND1-O 2.93Å; A190-Y192 VanDerWaalsContact C-N 3.26Å; A190-Y192 HydrophobicContact CB-CD2 3.68Å; A190-Y192 HydrophobicContact CB-CE2 3.7Å; A190-Y192 PolarHBondContact O-N 2.83Å; Y192-Y197 HydrophobicContact CD1-CD1 4.26Å; Y192-Y197 AromaticContact CD1-CG 3.92Å; Y192-Y197 HydrophobicContact CD1-CG 3.92Å; Y192-Y197 AromaticContact CD2-CD1 3.66Å; Y192-Y197 HydrophobicContact CD2-CD1 3.66Å; Y192-Y197 AromaticContact CD2-CD2 3.43Å; Y192-Y197 HydrophobicContact CD2-CD2 3.43Å; Y192-Y197 VanDerWaalsContact CD2-CD2 3.43Å; Y192-Y197 HydrophobicContact CD2-CE1 4.09Å; Y192-Y197 AromaticContact CD2-CE2 3.86Å; Y192-Y197 HydrophobicContact CD2-CE2 3.86Å; Y192-Y197 AromaticContact CD2-CG 3.33Å; Y192-Y197 HydrophobicContact CD2-CG 3.33Å; Y192-Y197 VanDerWaalsContact CE1-CB 3.46Å; Y192-Y197 HydrophobicContact CE1-CG 4.09Å; Y192-Y197 HydrophobicContact CE2-CD1 4.31Å; Y192-Y197 AromaticContact CE2-CD2 3.3Å; Y192-Y197 HydrophobicContact CE2-CD2 3.3Å; Y192-Y197 AromaticContact CE2-CE2 3.98Å; Y192-Y197 HydrophobicContact CE2-CE2 3.98Å; Y192-Y197 AromaticContact CE2-CG 3.52Å; Y192-Y197 HydrophobicContact CE2-CG 3.52Å; Y192-Y197 AromaticContact CG-CD1 3.61Å; Y192-Y197 HydrophobicContact CG-CD1 3.61Å; Y192-Y197 HydrophobicContact CG-CD2 4.13Å; Y192-Y197 HydrophobicContact CG-CE1 4.3Å; Y192-Y197 AromaticContact CG-CG 3.53Å; Y192-Y197 HydrophobicContact CG-CG 3.53Å; Y192-Y197 AromaticContact CZ-CD2 3.93Å; Y192-Y197 AromaticContact CZ-CG 3.89Å; Y192-T205 HydrophobicContact CE2-CG2 4Å; Y192-T205 VanDerWaalsContact CE2-OG1 3.31Å; Y192-T205 WeakPolarHBondContact CE2-OG1 3.24Å; Y192-T205 PolarHBondContact OH-N 2.84Å; Y192-T205 PolarHBondContact OH-OG1 3.41Å; Y192-R208 VanDerWaalsContact CE1-NH1 3.29Å
193	L	90.8	Very high	94.8	Very high	53 Å²	53	31.2 Å²	31.2	28%	0.277	16%	0.156	S	C	.	.	S	Bend	trans	-96.3	-17.1	-176.4	-50.9	-175.7	0	0	0	113.3	Q323 Y333 T407 T412	L193-Q323 PolarHBondContact O-OE1 3.12Å; L193-Y333 WeakPolarHBondContact CD2-OH 3.11Å; L193-T407 HydrophobicContact CD2-CG2 3.29Å; L193-T412 HydrophobicContact CD1-CG2 4.06Å
194	N	87.9	Confident	95	Very high	55 Å²	55	34.8 Å²	34.8	29%	0.294	17%	0.173	S	C	.	.	S	Bend	trans	-162.1	172.5	-179.2	61.6	63	0	0	0	109.9	S196 Y197	N194-S196 VanDerWaalsContact C-N 3.26Å; N194-S196 PolarHBondContact O-N 2.91Å; N194-S196 WeakPolarHBondContact OD1-CB 3.48Å; N194-S196 PolarHBondContact OD1-N 3.28Å; N194-S196 PolarHBondContact OD1-OG 2.98Å; N194-Y197 VanDerWaalsContact O-CD1 3.27Å; N194-Y197 WeakPolarHBondContact O-CD1 3.21Å
195	D	91.6	Very high	95.2	Very high	38 Å²	38	34.6 Å²	34.6	20%	0.203	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-76.9	3	-173	-85.9	2.1	0	0	0	115.6	H187 Y197 K198	H187-D195 IonicContact CE1-OD1 3.85Å; H187-D195 IonicContact NE2-OD1 3.6Å; H187-D195 PolarHBondContact NE2-OD1 3.1Å; D195-Y197 VanDerWaalsContact C-N 3.28Å; D195-Y197 PolarHBondContact O-N 2.74Å; D195-K198 HydrophobicContact CB-CD 4.12Å; D195-K198 VanDerWaalsContact CG-CE 3.48Å; D195-K198 VanDerWaalsContact O-CB 3.32Å; D195-K198 WeakPolarHBondContact O-CB 3.27Å; D195-K198 WeakPolarHBondContact O-CG 3.19Å; D195-K198 PolarHBondContact O-N 3.14Å; D195-K198 VanDerWaalsContact O-N 3.15Å; D195-K198 WeakPolarHBondContact OD1-CE 3.22Å; D195-K198 IonicContact OD1-NZ 2.79Å; D195-K198 PolarHBondContact OD1-NZ 3.15Å; D195-K198 IonicContact OD2-NZ 3.16Å; D195-K198 PolarHBondContact OD2-NZ 3.3Å
196	S	92.1	Very high	95.3	Very high	73 Å²	73	34.7 Å²	34.7	51%	0.51	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-60.2	-37	-177.1	62.7	0	0	0	0	112.8	N194 K198 R199	N194-S196 VanDerWaalsContact C-N 3.26Å; N194-S196 PolarHBondContact O-N 2.91Å; N194-S196 WeakPolarHBondContact OD1-CB 3.48Å; N194-S196 PolarHBondContact OD1-N 3.28Å; N194-S196 PolarHBondContact OD1-OG 2.98Å; S196-K198 PolarHBondContact O-N 2.93Å; S196-R199 PolarHBondContact O-N 3.06Å; S196-R199 VanDerWaalsContact O-N 3.1Å
197	Y	95.3	Very high	95.4	Very high	4 Å²	4	40 Å²	40	2%	0.016	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-54.8	-23.6	177.8	82.8	-81.6	0	0	0	113.9	M168 Y172 A182 G186 Y192 N194 D195 R199 E200 T205	M168-Y197 HydrophobicContact CB-CD2 4.35Å; M168-Y197 HydrophobicContact CB-CE2 4.34Å; M168-Y197 HydrophobicContact CG-CD2 4.32Å; M168-Y197 HydrophobicContact CG-CE2 3.91Å; Y172-Y197 HydrophobicContact CE2-CE2 4.34Å; Y172-Y197 WeakPolarHBondContact OH-CE2 3.31Å; Y172-Y197 PolarHBondContact OH-OH 3.45Å; A182-Y197 PolarHBondContact O-OH 2.85Å; G186-Y197 VanDerWaalsContact CA-CZ 3.49Å; G186-Y197 WeakPolarHBondContact CA-OH 3.5Å; Y192-Y197 HydrophobicContact CD1-CD1 4.26Å; Y192-Y197 AromaticContact CD1-CG 3.92Å; Y192-Y197 HydrophobicContact CD1-CG 3.92Å; Y192-Y197 AromaticContact CD2-CD1 3.66Å; Y192-Y197 HydrophobicContact CD2-CD1 3.66Å; Y192-Y197 AromaticContact CD2-CD2 3.43Å; Y192-Y197 HydrophobicContact CD2-CD2 3.43Å; Y192-Y197 VanDerWaalsContact CD2-CD2 3.43Å; Y192-Y197 HydrophobicContact CD2-CE1 4.09Å; Y192-Y197 AromaticContact CD2-CE2 3.86Å; Y192-Y197 HydrophobicContact CD2-CE2 3.86Å; Y192-Y197 AromaticContact CD2-CG 3.33Å; Y192-Y197 HydrophobicContact CD2-CG 3.33Å; Y192-Y197 VanDerWaalsContact CE1-CB 3.46Å; Y192-Y197 HydrophobicContact CE1-CG 4.09Å; Y192-Y197 HydrophobicContact CE2-CD1 4.31Å; Y192-Y197 AromaticContact CE2-CD2 3.3Å; Y192-Y197 HydrophobicContact CE2-CD2 3.3Å; Y192-Y197 AromaticContact CE2-CE2 3.98Å; Y192-Y197 HydrophobicContact CE2-CE2 3.98Å; Y192-Y197 AromaticContact CE2-CG 3.52Å; Y192-Y197 HydrophobicContact CE2-CG 3.52Å; Y192-Y197 AromaticContact CG-CD1 3.61Å; Y192-Y197 HydrophobicContact CG-CD1 3.61Å; Y192-Y197 HydrophobicContact CG-CD2 4.13Å; Y192-Y197 HydrophobicContact CG-CE1 4.3Å; Y192-Y197 AromaticContact CG-CG 3.53Å; Y192-Y197 HydrophobicContact CG-CG 3.53Å; Y192-Y197 AromaticContact CZ-CD2 3.93Å; Y192-Y197 AromaticContact CZ-CG 3.89Å; N194-Y197 VanDerWaalsContact O-CD1 3.27Å; N194-Y197 WeakPolarHBondContact O-CD1 3.21Å; D195-Y197 VanDerWaalsContact C-N 3.28Å; D195-Y197 PolarHBondContact O-N 2.74Å; Y197-R199 PolarHBondContact O-N 3.47Å; Y197-E200 PolarHBondContact O-N 3.37Å; Y197-E200 VanDerWaalsContact O-N 3.11Å; Y197-T205 HydrophobicContact CE2-CG2 4.41Å
198	K	96.2	Very high	95.4	Very high	15 Å²	15	41.8 Å²	41.8	7%	0.065	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-60.7	-28.3	-178.8	-65.6	-175.6	179.3	168.3	0	111.8	M168 L169 Y172 D195 S196	M168-K198 PolarHBondContact N-O 3.04Å; L169-K198 HydrophobicContact CD1-CB 4.46Å; L169-K198 HydrophobicContact CD2-CB 4.12Å; L169-K198 HydrophobicContact CG-CB 3.94Å; L169-K198 WeakPolarHBondContact CG-O 3.2Å; L169-K198 PolarHBondContact N-O 3.22Å; Y172-K198 HydrophobicContact CE2-CG 4.31Å; D195-K198 HydrophobicContact CB-CD 4.12Å; D195-K198 VanDerWaalsContact CG-CE 3.48Å; D195-K198 VanDerWaalsContact O-CB 3.32Å; D195-K198 WeakPolarHBondContact O-CB 3.27Å; D195-K198 WeakPolarHBondContact O-CG 3.19Å; D195-K198 PolarHBondContact O-N 3.14Å; D195-K198 VanDerWaalsContact O-N 3.15Å; D195-K198 WeakPolarHBondContact OD1-CE 3.22Å; D195-K198 IonicContact OD1-NZ 2.79Å; D195-K198 PolarHBondContact OD1-NZ 3.15Å; D195-K198 IonicContact OD2-NZ 3.16Å; D195-K198 PolarHBondContact OD2-NZ 3.3Å; S196-K198 PolarHBondContact O-N 2.93Å
199	R	97.3	Very high	95.5	Very high	190 Å²	190	41.8 Å²	41.8	72%	0.717	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-96.7	-2.5	-179.1	-59.6	177.4	-173.8	-87.3	-0.9	113.5	T167 L169 S196 Y197	T167-R199 VanDerWaalsContact CG2-O 3.29Å; T167-R199 WeakPolarHBondContact CG2-O 3.34Å; L169-R199 HydrophobicContact CD1-CG 4.17Å; S196-R199 PolarHBondContact O-N 3.06Å; S196-R199 VanDerWaalsContact O-N 3.1Å; Y197-R199 PolarHBondContact O-N 3.47Å
200	E	97.6	Very high	95.5	Very high	111 Å²	111	44.6 Å²	44.6	52%	0.519	21%	0.214	S	C	.	.	S	Bend	trans	-93.5	159.5	178.9	-61.5	-57.8	144.5	0	0	111.1	T167 M168 Y197 F202	T167-E200 VanDerWaalsContact CA-O 3.29Å; T167-E200 WeakPolarHBondContact CA-O 3.32Å; M168-E200 PolarHBondContact N-O 2.94Å; Y197-E200 PolarHBondContact O-N 3.37Å; Y197-E200 VanDerWaalsContact O-N 3.11Å; E200-F202 PolarHBondContact O-N 2.96Å
201	P	98.3	Very high	95.4	Very high	55 Å²	55	47.1 Å²	47.1	36%	0.357	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-52.1	130.7	173.6	-27.6	35.7	0	0	0	112.7	P163 H166 G203	P163-P201 WeakPolarHBondContact O-CB 3.39Å; H166-P201 WeakPolarHBondContact O-CA 3.42Å; P201-G203 PolarHBondContact O-N 3.4Å
202	F	98.1	Very high	95.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.9	-168.4	73	-102.3	0	0	0	114.8	W146 F150 L161 D162 P163 H166 M168 V171 E200 E204 T205 V206	W146-F202 HydrophobicContact CH2-CD2 4.09Å; W146-F202 AromaticContact CH2-CE2 3.61Å; W146-F202 HydrophobicContact CH2-CE2 3.61Å; W146-F202 HydrophobicContact CH2-CZ 4.03Å; W146-F202 HydrophobicContact CZ2-CE2 4.16Å; W146-F202 HydrophobicContact CZ2-CZ 4.27Å; F150-F202 HydrophobicContact CD2-CE2 4.43Å; F150-F202 HydrophobicContact CE1-CE2 4.49Å; F150-F202 AromaticContact CE2-CE2 3.67Å; F150-F202 HydrophobicContact CE2-CE2 3.67Å; F150-F202 AromaticContact CE2-CZ 3.85Å; F150-F202 HydrophobicContact CE2-CZ 3.85Å; F150-F202 AromaticContact CZ-CE2 3.73Å; F150-F202 HydrophobicContact CZ-CE2 3.73Å; F150-F202 AromaticContact CZ-CZ 3.96Å; F150-F202 HydrophobicContact CZ-CZ 3.96Å; L161-F202 HydrophobicContact CB-CE1 3.65Å; L161-F202 HydrophobicContact CB-CZ 3.83Å; L161-F202 WeakPolarHBondContact O-CZ 3.32Å; D162-F202 VanDerWaalsContact C-CE1 3.42Å; D162-F202 VanDerWaalsContact O-CE1 3.31Å; D162-F202 WeakPolarHBondContact O-CE1 3.37Å; P163-F202 VanDerWaalsContact CA-CE1 3.42Å; P163-F202 HydrophobicContact CB-CD2 4.33Å; P163-F202 HydrophobicContact CB-CE1 4.29Å; P163-F202 HydrophobicContact CB-CE2 3.72Å; P163-F202 HydrophobicContact CB-CZ 3.7Å; H166-F202 HydrophobicContact CB-CD1 4.04Å; H166-F202 HydrophobicContact CB-CE1 3.98Å; H166-F202 VanDerWaalsContact O-CD1 3.25Å; H166-F202 WeakPolarHBondContact O-CD1 3.26Å; H166-F202 PolarHBondContact O-N 3.26Å; H166-F202 VanDerWaalsContact O-N 3.1Å; M168-F202 HydrophobicContact CB-CB 4.26Å; M168-F202 HydrophobicContact SD-CB 3.78Å; V171-F202 HydrophobicContact CG2-CB 3.59Å; V171-F202 HydrophobicContact CG2-CD1 3.47Å; V171-F202 VanDerWaalsContact CG2-CD1 3.47Å; V171-F202 HydrophobicContact CG2-CD2 3.99Å; V171-F202 HydrophobicContact CG2-CE1 4.13Å; V171-F202 HydrophobicContact CG2-CG 3.41Å; V171-F202 VanDerWaalsContact CG2-CG 3.41Å; E200-F202 PolarHBondContact O-N 2.96Å; F202-E204 VanDerWaalsContact C-N 3.29Å; F202-E204 PolarHBondContact O-N 3.31Å; F202-T205 WeakPolarHBondContact O-CA 3.4Å; F202-T205 WeakPolarHBondContact O-CB 3.45Å; F202-T205 PolarHBondContact O-N 2.9Å; F202-V206 HydrophobicContact CD2-CG2 3.63Å; F202-V206 HydrophobicContact CE2-CG2 3.99Å; F202-V206 PolarHBondContact O-N 2.88Å
203	G	98.1	Very high	95.2	Very high	6 Å²	6	45.2 Å²	45.2	6%	0.062	22%	0.219	C	C	.	.	H	α-helix	trans	-54.5	-42	-173.8	0	0	0	0	0	113.6	F152 P163 P201 T205 V206 K207	F152-G203 WeakPolarHBondContact CZ-O 3.43Å; P163-G203 PolarHBondContact O-N 2.65Å; P201-G203 PolarHBondContact O-N 3.4Å; G203-T205 PolarHBondContact O-N 3.01Å; G203-V206 PolarHBondContact O-N 3.27Å; G203-K207 PolarHBondContact O-N 3.45Å; G203-K207 VanDerWaalsContact O-N 3.15Å
204	E	97	Very high	95.3	Very high	78 Å²	78	44.3 Å²	44.3	36%	0.364	22%	0.22	S	C	.	.	H	α-helix	trans	-65.2	-39.5	176.8	178	56	-163.1	0	0	112	F202 V206 K207 R208	F202-E204 VanDerWaalsContact C-N 3.29Å; F202-E204 PolarHBondContact O-N 3.31Å; E204-V206 VanDerWaalsContact C-N 3.34Å; E204-V206 PolarHBondContact O-N 3.3Å; E204-K207 PolarHBondContact O-N 3.45Å; E204-R208 WeakPolarHBondContact O-CG 3.3Å; E204-R208 PolarHBondContact O-N 2.85Å; E204-R208 IonicContact OE1-CZ 2.74Å; E204-R208 IonicContact OE1-NE 3.55Å; E204-R208 PolarHBondContact OE1-NE 3.29Å; E204-R208 IonicContact OE1-NH2 2.92Å; E204-R208 PolarHBondContact OE1-NH2 2.76Å
205	T	97.9	Very high	95.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-41.1	176.2	-55.3	0	0	0	0	111.8	M168 A190 Y192 Y197 F202 G203 R208 I209	M168-T205 HydrophobicContact CE-CG2 4.15Å; M168-T205 HydrophobicContact CG-CG2 4.2Å; M168-T205 HydrophobicContact SD-CG2 3.61Å; A190-T205 HydrophobicContact CB-CG2 4.08Å; Y192-T205 HydrophobicContact CE2-CG2 4Å; Y192-T205 VanDerWaalsContact CE2-OG1 3.31Å; Y192-T205 WeakPolarHBondContact CE2-OG1 3.24Å; Y192-T205 PolarHBondContact OH-N 2.84Å; Y192-T205 PolarHBondContact OH-OG1 3.41Å; Y197-T205 HydrophobicContact CE2-CG2 4.41Å; F202-T205 WeakPolarHBondContact O-CA 3.4Å; F202-T205 WeakPolarHBondContact O-CB 3.45Å; F202-T205 PolarHBondContact O-N 2.9Å; G203-T205 PolarHBondContact O-N 3.01Å; T205-R208 PolarHBondContact O-N 3.09Å; T205-I209 HydrophobicContact CG2-CD1 3.94Å; T205-I209 HydrophobicContact CG2-CG1 4.49Å; T205-I209 VanDerWaalsContact O-CG1 3.32Å; T205-I209 WeakPolarHBondContact O-CG1 3.4Å; T205-I209 PolarHBondContact O-N 3.2Å
206	V	97.8	Very high	95.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-60.7	-46.5	174.7	164.8	0	0	0	0	110.9	W146 V147 F150 F152 F202 G203 E204 R208 I209 K210	W146-V206 HydrophobicContact CH2-CG2 4.36Å; W146-V206 HydrophobicContact CZ3-CG2 4.19Å; V147-V206 HydrophobicContact CG1-CG1 4.28Å; V147-V206 HydrophobicContact CG2-CG2 4.48Å; F150-V206 HydrophobicContact CB-CG1 4.02Å; F150-V206 HydrophobicContact CD1-CG1 3.85Å; F150-V206 HydrophobicContact CG-CG1 4.04Å; F152-V206 HydrophobicContact CE2-CG1 4.3Å; F152-V206 HydrophobicContact CZ-CB 4.49Å; F152-V206 HydrophobicContact CZ-CG1 4.3Å; F202-V206 HydrophobicContact CD2-CG2 3.63Å; F202-V206 HydrophobicContact CE2-CG2 3.99Å; F202-V206 PolarHBondContact O-N 2.88Å; G203-V206 PolarHBondContact O-N 3.27Å; E204-V206 VanDerWaalsContact C-N 3.34Å; E204-V206 PolarHBondContact O-N 3.3Å; V206-R208 VanDerWaalsContact C-N 3.32Å; V206-R208 PolarHBondContact O-N 2.81Å; V206-I209 PolarHBondContact O-N 3.27Å; V206-K210 HydrophobicContact CG1-CD 4.09Å; V206-K210 HydrophobicContact CG1-CG 4.42Å; V206-K210 WeakPolarHBondContact O-CG 3.39Å; V206-K210 PolarHBondContact O-N 3.27Å
207	K	96.9	Very high	95.3	Very high	112 Å²	112	43.7 Å²	43.7	49%	0.487	21%	0.206	S	C	.	.	H	α-helix	trans	-58.6	-43.3	176.7	-68.2	174.7	-176	176.2	0	111.9	F152 G203 E204 K210 L211	F152-K207 HydrophobicContact CE2-CG 3.81Å; F152-K207 HydrophobicContact CZ-CD 4.25Å; F152-K207 HydrophobicContact CZ-CG 3.73Å; G203-K207 PolarHBondContact O-N 3.45Å; G203-K207 VanDerWaalsContact O-N 3.15Å; E204-K207 PolarHBondContact O-N 3.45Å; K207-K210 PolarHBondContact O-N 3Å; K207-L211 WeakPolarHBondContact O-CB 3.46Å; K207-L211 PolarHBondContact O-N 3.31Å
208	R	96.1	Very high	94.6	Very high	38 Å²	38	49.5 Å²	49.5	14%	0.143	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-44	178.7	-69.4	174	179.1	-140.5	2.3	112.4	A190 Y192 E204 T205 V206 L211 Y212 E415	A190-R208 HydrophobicContact CB-CB 4.03Å; A190-R208 WeakPolarHBondContact O-CD 3.17Å; Y192-R208 VanDerWaalsContact CE1-NH1 3.29Å; E204-R208 WeakPolarHBondContact O-CG 3.3Å; E204-R208 PolarHBondContact O-N 2.85Å; E204-R208 IonicContact OE1-CZ 2.74Å; E204-R208 IonicContact OE1-NE 3.55Å; E204-R208 PolarHBondContact OE1-NE 3.29Å; E204-R208 IonicContact OE1-NH2 2.92Å; E204-R208 PolarHBondContact OE1-NH2 2.76Å; T205-R208 PolarHBondContact O-N 3.09Å; V206-R208 VanDerWaalsContact C-N 3.32Å; V206-R208 PolarHBondContact O-N 2.81Å; R208-L211 WeakPolarHBondContact O-CB 3.45Å; R208-L211 PolarHBondContact O-N 3.36Å; R208-Y212 PolarHBondContact O-N 2.6Å; R208-E415 IonicContact NH2-OE1 2.8Å; R208-E415 PolarHBondContact NH2-OE1 3.2Å
209	I	95.7	Very high	93.9	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.4	-43.5	177.2	-63.3	167.3	0	0	0	110.7	F143 L144 V147 T185 L189 A190 T205 V206 L211 Y212 S213	F143-I209 HydrophobicContact CE1-CD1 4.11Å; F143-I209 HydrophobicContact CZ-CD1 3.7Å; L144-I209 HydrophobicContact CD2-CG2 4.32Å; V147-I209 HydrophobicContact CG1-CB 3.9Å; V147-I209 HydrophobicContact CG1-CG2 3.69Å; T185-I209 HydrophobicContact CG2-CD1 3.77Å; L189-I209 HydrophobicContact CB-CG1 4.32Å; L189-I209 HydrophobicContact CD2-CG2 4.29Å; A190-I209 HydrophobicContact CB-CG1 4.1Å; T205-I209 HydrophobicContact CG2-CD1 3.94Å; T205-I209 HydrophobicContact CG2-CG1 4.49Å; T205-I209 VanDerWaalsContact O-CG1 3.32Å; T205-I209 WeakPolarHBondContact O-CG1 3.4Å; T205-I209 PolarHBondContact O-N 3.2Å; V206-I209 PolarHBondContact O-N 3.27Å; I209-L211 VanDerWaalsContact C-N 3.3Å; I209-L211 PolarHBondContact O-N 3.25Å; I209-Y212 WeakPolarHBondContact O-CB 3.43Å; I209-Y212 PolarHBondContact O-N 3.42Å; I209-Y212 VanDerWaalsContact O-N 3.16Å; I209-S213 PolarHBondContact O-N 3.48Å; I209-S213 PolarHBondContact O-OG 3.17Å
210	K	95	Very high	92.9	Very high	61 Å²	61	46.4 Å²	46.4	27%	0.265	23%	0.232	S	C	.	.	H	α-helix	trans	-59.3	-42.1	175.2	-69	-174.7	102.9	170	0	111.6	V147 Q148 F150 V206 K207 Y212 S213 A214	V147-K210 HydrophobicContact CG1-CG 3.86Å; V147-K210 WeakPolarHBondContact O-CD 3.43Å; V147-K210 VanDerWaalsContact O-CE 3.23Å; V147-K210 WeakPolarHBondContact O-CE 3.33Å; Q148-K210 WeakPolarHBondContact O-CE 3.36Å; Q148-K210 PolarHBondContact O-NZ 2.98Å; F150-K210 PolarHBondContact O-NZ 3.32Å; V206-K210 HydrophobicContact CG1-CD 4.09Å; V206-K210 HydrophobicContact CG1-CG 4.42Å; V206-K210 WeakPolarHBondContact O-CG 3.39Å; V206-K210 PolarHBondContact O-N 3.27Å; K207-K210 PolarHBondContact O-N 3Å; K210-Y212 VanDerWaalsContact C-N 3.35Å; K210-Y212 PolarHBondContact O-N 3.14Å; K210-S213 PolarHBondContact O-N 2.86Å; K210-A214 WeakPolarHBondContact O-CB 3.46Å; K210-A214 PolarHBondContact O-N 3.34Å
211	L	93.8	Very high	92.2	Very high	54 Å²	54	46.3 Å²	46.3	28%	0.283	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-43.3	175.2	176	62.7	0	0	0	112	M82 N84 K207 R208 I209 S215	M82-L211 HydrophobicContact CG-CD1 4.33Å; M82-L211 HydrophobicContact CG-CD2 4.14Å; M82-L211 HydrophobicContact CG-CG 3.96Å; N84-L211 HydrophobicContact CB-CD1 3.87Å; N84-L211 VanDerWaalsContact O-CD1 3.28Å; N84-L211 WeakPolarHBondContact O-CD1 3.34Å; K207-L211 WeakPolarHBondContact O-CB 3.46Å; K207-L211 PolarHBondContact O-N 3.31Å; R208-L211 WeakPolarHBondContact O-CB 3.45Å; R208-L211 PolarHBondContact O-N 3.36Å; I209-L211 VanDerWaalsContact C-N 3.3Å; I209-L211 PolarHBondContact O-N 3.25Å; L211-S215 VanDerWaalsContact O-CB 3.22Å; L211-S215 WeakPolarHBondContact O-CB 3.25Å; L211-S215 PolarHBondContact O-N 2.89Å; L211-S215 PolarHBondContact O-OG 2.94Å
212	Y	94	Very high	92	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-51.5	175.9	-173.2	-72.8	0	0	0	111.1	M82 S108 A121 A188 L189 R208 I209 K210 S215 L216 P223	M82-Y212 HydrophobicContact CE-CD2 4.04Å; S108-Y212 WeakPolarHBondContact CB-OH 3.48Å; S108-Y212 PolarHBondContact OG-OH 3.36Å; A121-Y212 HydrophobicContact CB-CD1 3.68Å; A121-Y212 HydrophobicContact CB-CE1 3.38Å; A188-Y212 WeakPolarHBondContact O-CE2 3.27Å; L189-Y212 HydrophobicContact CB-CG 4.49Å; L189-Y212 HydrophobicContact CD2-CD1 4.34Å; L189-Y212 HydrophobicContact CG-CD1 4.48Å; L189-Y212 WeakPolarHBondContact O-CB 3.48Å; L189-Y212 VanDerWaalsContact O-CD2 3.28Å; L189-Y212 WeakPolarHBondContact O-CD2 3.18Å; R208-Y212 PolarHBondContact O-N 2.6Å; I209-Y212 WeakPolarHBondContact O-CB 3.43Å; I209-Y212 PolarHBondContact O-N 3.42Å; I209-Y212 VanDerWaalsContact O-N 3.16Å; K210-Y212 VanDerWaalsContact C-N 3.35Å; K210-Y212 PolarHBondContact O-N 3.14Å; Y212-S215 WeakPolarHBondContact O-CB 3.28Å; Y212-S215 PolarHBondContact O-N 2.86Å; Y212-L216 PolarHBondContact O-N 3.21Å; Y212-P223 HydrophobicContact CD1-CG 4.34Å; Y212-P223 HydrophobicContact CD2-CG 3.91Å; Y212-P223 HydrophobicContact CE1-CB 4.47Å; Y212-P223 HydrophobicContact CE1-CG 3.95Å; Y212-P223 HydrophobicContact CE2-CG 3.52Å; Y212-P223 HydrophobicContact CG-CG 4.31Å
213	S	92.3	Very high	91.7	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-46.9	-179.4	-64.1	0	0	0	0	112.1	A121 Q148 I209 K210 S215 L216 E217	A121-S213 PolarHBondContact O-OG 2.78Å; Q148-S213 PolarHBondContact NE2-OG 2.56Å; I209-S213 PolarHBondContact O-N 3.48Å; I209-S213 PolarHBondContact O-OG 3.17Å; K210-S213 PolarHBondContact O-N 2.86Å; S213-S215 PolarHBondContact O-N 2.82Å; S213-L216 PolarHBondContact O-N 3.49Å; S213-L216 VanDerWaalsContact O-N 3.1Å; S213-E217 WeakPolarHBondContact O-CG 3.31Å; S213-E217 PolarHBondContact O-N 2.81Å
214	A	92.2	Very high	91.6	Very high	35 Å²	35	43.4 Å²	43.4	29%	0.289	21%	0.21	S	C	.	.	H	α-helix	trans	-61.5	-34.8	177.2	0	0	0	0	0	112.3	N84 K210 R218	N84-A214 PolarHBondContact ND2-O 2.71Å; K210-A214 WeakPolarHBondContact O-CB 3.46Å; K210-A214 PolarHBondContact O-N 3.34Å; A214-R218 PolarHBondContact O-N 3.31Å
215	S	93	Very high	91.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.9	-38.5	175.8	-64.9	0	0	0	0	112	M82 N84 L211 Y212 S213 P223	M82-S215 WeakPolarHBondContact CG-OG 3.41Å; M82-S215 VanDerWaalsContact SD-CB 3.57Å; M82-S215 PolarHBondContact SD-OG 2.91Å; M82-S215 VanDerWaalsContact SD-OG 3.39Å; N84-S215 WeakPolarHBondContact CB-OG 3.16Å; N84-S215 PolarHBondContact N-OG 3.04Å; L211-S215 VanDerWaalsContact O-CB 3.22Å; L211-S215 WeakPolarHBondContact O-CB 3.25Å; L211-S215 PolarHBondContact O-N 2.89Å; L211-S215 PolarHBondContact O-OG 2.94Å; Y212-S215 WeakPolarHBondContact O-CB 3.28Å; Y212-S215 PolarHBondContact O-N 2.86Å; S213-S215 PolarHBondContact O-N 2.82Å; S215-P223 VanDerWaalsContact CB-CB 3.46Å
216	L	89.9	Confident	91.5	Very high	11 Å²	11	40 Å²	40	6%	0.058	20%	0.195	C	C	.	.	H	α-helix	trans	-68	-47.5	176	-179.3	66.2	0	0	0	111.5	A121 Y212 S213 R218 Y219 G220 S222 P223	A121-L216 HydrophobicContact CB-CD2 3.35Å; Y212-L216 PolarHBondContact O-N 3.21Å; S213-L216 PolarHBondContact O-N 3.49Å; S213-L216 VanDerWaalsContact O-N 3.1Å; L216-R218 PolarHBondContact O-N 3.01Å; L216-R218 VanDerWaalsContact O-N 3.14Å; L216-Y219 PolarHBondContact O-N 3.04Å; L216-Y219 VanDerWaalsContact O-N 3.12Å; L216-G220 WeakPolarHBondContact O-CA 3.47Å; L216-G220 PolarHBondContact O-N 3.26Å; L216-S222 VanDerWaalsContact CD1-CA 3.45Å; L216-P223 HydrophobicContact CB-CB 4.35Å
217	E	87.8	Confident	91.4	Very high	142 Å²	142	40 Å²	40	66%	0.664	20%	0.195	S	C	*	.	H	α-helix	trans	-55.4	-33.4	-179.5	-75.4	174.4	-175.8	0	0	112.5	S213	S213-E217 WeakPolarHBondContact O-CG 3.31Å; S213-E217 PolarHBondContact O-N 2.81Å
218	R	82.5	Confident	91.3	Very high	126 Å²	126	35.9 Å²	35.9	48%	0.475	18%	0.178	S	C	.	.	H	α-helix	trans	-69	-32.8	-179.6	-172.4	172	177.8	173.4	2.2	114.2	N84 A214 L216	N84-R218 VanDerWaalsContact OD1-CD 3.29Å; N84-R218 WeakPolarHBondContact OD1-CD 3.35Å; N84-R218 PolarHBondContact OD1-NH1 3.48Å; A214-R218 PolarHBondContact O-N 3.31Å; L216-R218 PolarHBondContact O-N 3.01Å; L216-R218 VanDerWaalsContact O-N 3.14Å
219	Y	80.5	Confident	91.3	Very high	87 Å²	87	39.7 Å²	39.7	34%	0.341	19%	0.193	S	C	.	.	H	α-helix	trans	-124.7	-8.6	-172.6	-65	-77.8	0	0	0	114.6	A83 L216 K221 L225	A83-Y219 HydrophobicContact CB-CD2 3.43Å; A83-Y219 VanDerWaalsContact CB-CD2 3.43Å; A83-Y219 HydrophobicContact CB-CE2 3.31Å; L216-Y219 PolarHBondContact O-N 3.04Å; L216-Y219 VanDerWaalsContact O-N 3.12Å; Y219-K221 VanDerWaalsContact C-N 3.25Å; Y219-K221 PolarHBondContact O-N 3.16Å; Y219-L225 HydrophobicContact CD1-CD2 4.17Å; Y219-L225 HydrophobicContact CD2-CD2 4.04Å; Y219-L225 HydrophobicContact CE1-CD2 3.97Å; Y219-L225 HydrophobicContact CE2-CD1 4Å; Y219-L225 HydrophobicContact CE2-CD2 3.83Å; Y219-L225 HydrophobicContact CE2-CG 4.22Å; Y219-L225 HydrophobicContact CG-CD2 4.21Å
220	G	75.8	Confident	91.3	Very high	52 Å²	52	39.7 Å²	39.7	54%	0.536	19%	0.193	S	C	.	.	S	Bend	trans	75.6	-24.1	166.6	0	0	0	0	0	117.5	L216	L216-G220 WeakPolarHBondContact O-CA 3.47Å; L216-G220 PolarHBondContact O-N 3.26Å
221	K	83.7	Confident	91.2	Very high	109 Å²	109	36.8 Å²	36.8	47%	0.474	18%	0.18	S	C	.	.	S	Bend	trans	-101.1	-48.7	-176.3	-67.6	-172.6	-179.9	-177.1	0	113.6	E106 Y219	E106-K221 HydrophobicContact CB-CD 4.49Å; E106-K221 HydrophobicContact CG-CD 4.47Å; Y219-K221 VanDerWaalsContact C-N 3.25Å; Y219-K221 PolarHBondContact O-N 3.16Å
222	S	92.8	Very high	91.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.			trans	-150.7	163.2	175.4	82.4	0	0	0	0	108.4	I105 L216 Y224	I105-S222 WeakPolarHBondContact CB-OG 3.34Å; I105-S222 VanDerWaalsContact O-CB 3.27Å; I105-S222 WeakPolarHBondContact O-CB 3.46Å; I105-S222 PolarHBondContact O-OG 3.01Å; L216-S222 VanDerWaalsContact CD1-CA 3.45Å; S222-Y224 PolarHBondContact O-N 2.7Å; S222-Y224 PolarHBondContact OG-N 3.4Å
223	P	93.8	Very high	91.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-80.6	8.5	178	38.7	-41.5	0	0	0	112.9	M82 A83 Y212 S215 L216	M82-P223 HydrophobicContact SD-CB 3.71Å; M82-P223 HydrophobicContact SD-CG 4.22Å; A83-P223 VanDerWaalsContact CB-O 3.31Å; A83-P223 WeakPolarHBondContact CB-O 3.13Å; A83-P223 PolarHBondContact N-O 2.92Å; Y212-P223 HydrophobicContact CD1-CG 4.34Å; Y212-P223 HydrophobicContact CD2-CG 3.91Å; Y212-P223 HydrophobicContact CE1-CB 4.47Å; Y212-P223 HydrophobicContact CE1-CG 3.95Å; Y212-P223 HydrophobicContact CE2-CG 3.52Å; Y212-P223 HydrophobicContact CG-CG 4.31Å; S215-P223 VanDerWaalsContact CB-CB 3.46Å; L216-P223 HydrophobicContact CB-CB 4.35Å
224	Y	96.1	Very high	91.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.6	-165.1	-63	-56.4	0	0	0	112.8	F80 L81 M82 S104 I105 L191 S222 Q318	F80-Y224 HydrophobicContact CB-CD1 3.99Å; F80-Y224 HydrophobicContact CB-CG 4.03Å; L81-Y224 CarbonylContact O-C 3.45Å; L81-Y224 VanDerWaalsContact O-CA 3.3Å; L81-Y224 WeakPolarHBondContact O-CA 3.37Å; M82-Y224 HydrophobicContact CE-CE1 3.82Å; M82-Y224 HydrophobicContact SD-CE1 4.35Å; S104-Y224 WeakPolarHBondContact CA-O 3.35Å; I105-Y224 PolarHBondContact N-O 2.92Å; L191-Y224 HydrophobicContact CD1-CE1 4.4Å; L191-Y224 WeakPolarHBondContact CD2-OH 3.49Å; S222-Y224 PolarHBondContact O-N 2.7Å; S222-Y224 PolarHBondContact OG-N 3.4Å; Y224-Q318 HydrophobicContact CD2-CB 4.37Å; Y224-Q318 HydrophobicContact CE2-CB 4.28Å; Y224-Q318 PolarHBondContact OH-OE1 2.86Å; Y224-Q318 VanDerWaalsContact OH-OE1 3.06Å
225	L	95.5	Very high	91.1	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	153.1	172.7	-57.9	177.2	0	0	0	110.1	L81 A83 V88 F102 K103 Y219	L81-L225 HydrophobicContact CB-CB 4.3Å; L81-L225 PolarHBondContact N-O 3.47Å; L81-L225 PolarHBondContact O-N 3.43Å; A83-L225 HydrophobicContact CB-CD1 4.2Å; A83-L225 HydrophobicContact CB-CG 4.12Å; V88-L225 HydrophobicContact CG1-CD1 4.44Å; V88-L225 HydrophobicContact CG2-CD1 4.2Å; F102-L225 HydrophobicContact CB-CB 4.49Å; F102-L225 HydrophobicContact CD1-CB 4.37Å; K103-L225 WeakPolarHBondContact O-CA 3.4Å; Y219-L225 HydrophobicContact CD1-CD2 4.17Å; Y219-L225 HydrophobicContact CD2-CD2 4.04Å; Y219-L225 HydrophobicContact CE1-CD2 3.97Å; Y219-L225 HydrophobicContact CE2-CD1 4Å; Y219-L225 HydrophobicContact CE2-CD2 3.83Å; Y219-L225 HydrophobicContact CE2-CG 4.22Å; Y219-L225 HydrophobicContact CG-CD2 4.21Å
226	Y	96.1	Very high	91	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	136.3	174.3	-175.4	-98.1	0	0	0	109.5	D75 F80 K103 I105 L231 V337 N341 V343	D75-Y226 VanDerWaalsContact CG-OH 3.28Å; D75-Y226 WeakPolarHBondContact OD2-CE2 3.35Å; D75-Y226 VanDerWaalsContact OD2-CZ 3.27Å; D75-Y226 PolarHBondContact OD2-OH 2.82Å; F80-Y226 AromaticContact CD1-CD2 3.64Å; F80-Y226 HydrophobicContact CD1-CD2 3.64Å; F80-Y226 HydrophobicContact CD1-CE2 4.47Å; F80-Y226 HydrophobicContact CD1-CG 4.15Å; F80-Y226 AromaticContact CE1-CD2 3.74Å; F80-Y226 HydrophobicContact CE1-CD2 3.74Å; F80-Y226 HydrophobicContact CE1-CE2 4.31Å; F80-Y226 HydrophobicContact CE1-CG 4.14Å; K103-Y226 PolarHBondContact N-O 3.08Å; K103-Y226 PolarHBondContact O-N 2.85Å; I105-Y226 HydrophobicContact CD1-CG 4.37Å; Y226-L231 HydrophobicContact CD2-CD2 4.24Å; Y226-L231 HydrophobicContact CD2-CG 4.32Å; Y226-L231 HydrophobicContact CE2-CD1 4.03Å; Y226-L231 HydrophobicContact CE2-CD2 4.12Å; Y226-L231 HydrophobicContact CE2-CG 3.7Å; Y226-V337 HydrophobicContact CD1-CG1 4.07Å; Y226-V337 HydrophobicContact CE1-CB 4.48Å; Y226-V337 HydrophobicContact CE1-CG1 3.94Å; Y226-V337 HydrophobicContact CG-CG1 4.39Å; Y226-N341 HydrophobicContact CD1-CB 4.21Å; Y226-N341 HydrophobicContact CE1-CB 4.31Å; Y226-V343 HydrophobicContact CE1-CG1 3.94Å
227	P	95.2	Very high	91	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	143.9	179.4	26	-34	0	0	0	111.1	E101 F102 G230 L231	E101-P227 WeakPolarHBondContact O-CA 3.45Å; F102-P227 HydrophobicContact CD1-CB 4.25Å; F102-P227 HydrophobicContact CE1-CB 4.02Å; F102-P227 HydrophobicContact CE1-CG 4.47Å; P227-G230 WeakPolarHBondContact CG-O 3.06Å; P227-G230 PolarHBondContact O-N 3.13Å; P227-L231 HydrophobicContact CG-CD2 3.74Å; P227-L231 HydrophobicContact CG-CG 4.38Å
228	L	95.6	Very high	91.2	Very high	26 Å²	26	32.6 Å²	32.6	14%	0.136	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	144.5	163.6	-64	-174.3	0	0	0	108.8	E101 K103 G230 M342	E101-L228 HydrophobicContact CB-CB 4.48Å; E101-L228 HydrophobicContact CB-CD1 3.78Å; E101-L228 HydrophobicContact CB-CG 4.14Å; E101-L228 PolarHBondContact O-N 2.92Å; K103-L228 HydrophobicContact CB-CD2 3.83Å; K103-L228 HydrophobicContact CD-CD2 4.09Å; L228-G230 PolarHBondContact O-N 3.45Å; L228-M342 HydrophobicContact CD2-CG 4.4Å
229	Y	95.6	Very high	91.5	Very high	118 Å²	118	26.9 Å²	26.9	46%	0.463	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	6.1	-177.7	-46.2	-78.6	0	0	0	115.7	N73 N341 M342	N73-Y229 WeakPolarHBondContact CB-O 3.35Å; Y229-N341 PolarHBondContact N-O 2.74Å; Y229-M342 HydrophobicContact CD1-CB 3.45Å; Y229-M342 VanDerWaalsContact CD1-CB 3.45Å; Y229-M342 HydrophobicContact CD1-CG 4.27Å; Y229-M342 HydrophobicContact CE1-CB 3.48Å; Y229-M342 VanDerWaalsContact CE1-CB 3.48Å; Y229-M342 HydrophobicContact CE1-CG 3.84Å; Y229-M342 HydrophobicContact CG-CB 4.08Å
230	G	95	Very high	91.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.			trans	94.7	176.7	171.4	0	0	0	0	0	114.2	P227 L228 G232 E233	P227-G230 WeakPolarHBondContact CG-O 3.06Å; P227-G230 PolarHBondContact O-N 3.13Å; L228-G230 PolarHBondContact O-N 3.45Å; G230-G232 VanDerWaalsContact C-N 3.29Å; G230-G232 PolarHBondContact O-N 2.84Å; G230-E233 PolarHBondContact O-N 3.22Å
231	L	94.8	Very high	92.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.8	-170.7	-68.5	169.8	0	0	0	114.3	D75 K79 L81 Y226 P227 E233 L234 P235 F410	D75-L231 PolarHBondContact OD1-N 2.84Å; D75-L231 WeakPolarHBondContact OD2-CB 3.32Å; D75-L231 WeakPolarHBondContact OD2-CD1 3.3Å; D75-L231 WeakPolarHBondContact OD2-CG 3.24Å; D75-L231 PolarHBondContact OD2-N 3.02Å; D75-L231 VanDerWaalsContact OD2-N 3.1Å; K79-L231 HydrophobicContact CB-CD1 4.05Å; L81-L231 HydrophobicContact CD1-CD2 4.36Å; Y226-L231 HydrophobicContact CD2-CD2 4.24Å; Y226-L231 HydrophobicContact CD2-CG 4.32Å; Y226-L231 HydrophobicContact CE2-CD1 4.03Å; Y226-L231 HydrophobicContact CE2-CD2 4.12Å; Y226-L231 HydrophobicContact CE2-CG 3.7Å; P227-L231 HydrophobicContact CG-CD2 3.74Å; P227-L231 HydrophobicContact CG-CG 4.38Å; L231-E233 PolarHBondContact O-N 3.01Å; L231-E233 VanDerWaalsContact O-N 3.09Å; L231-L234 HydrophobicContact CD2-CD1 3.6Å; L231-L234 WeakPolarHBondContact O-CB 3.39Å; L231-L234 PolarHBondContact O-N 2.93Å; L231-P235 WeakPolarHBondContact O-CD 3.48Å; L231-F410 HydrophobicContact CD1-CE2 4.45Å; L231-F410 HydrophobicContact CD1-CZ 4.42Å; L231-F410 HydrophobicContact CD2-CE2 3.73Å; L231-F410 HydrophobicContact CD2-CZ 3.89Å
232	G	92.8	Very high	92.8	Very high	9 Å²	9	22.3 Å²	22.3	9%	0.093	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.8	173.7	0	0	0	0	0	113.7	S45 G230 P235 Q236	S45-G232 VanDerWaalsContact OG-CA 3.29Å; S45-G232 WeakPolarHBondContact OG-CA 3.22Å; S45-G232 PolarHBondContact OG-N 2.74Å; G230-G232 VanDerWaalsContact C-N 3.29Å; G230-G232 PolarHBondContact O-N 2.84Å; G232-P235 WeakPolarHBondContact O-CD 3.43Å; G232-Q236 WeakPolarHBondContact O-CG 3.31Å; G232-Q236 PolarHBondContact O-NE2 2.83Å
233	E	92	Very high	92.7	Very high	57 Å²	57	24.5 Å²	24.5	27%	0.266	12%	0.117	S	C	.	.	H	α-helix	trans	-73	-26.7	172	-64.6	-62.3	99.3	0	0	112.8	L100 G230 L231 Q236 G237	L100-E233 HydrophobicContact CD2-CB 3.57Å; G230-E233 PolarHBondContact O-N 3.22Å; L231-E233 PolarHBondContact O-N 3.01Å; L231-E233 VanDerWaalsContact O-N 3.09Å; E233-Q236 PolarHBondContact O-N 3.24Å; E233-Q236 PolarHBondContact OE1-NE2 3.44Å; E233-G237 PolarHBondContact O-N 3.15Å
234	L	92.3	Very high	92.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-51.9	178.9	-71.7	172.6	0	0	0	112.5	L14 L91 L100 F102 L231 Q236 G237 F238 F410	L14-L234 HydrophobicContact CD2-CB 3.65Å; L14-L234 HydrophobicContact CD2-CD1 3.93Å; L14-L234 HydrophobicContact CD2-CG 4.45Å; L91-L234 HydrophobicContact CD1-CD2 4.01Å; L91-L234 HydrophobicContact CD2-CD2 3.96Å; L100-L234 HydrophobicContact CD1-CD2 3.74Å; F102-L234 HydrophobicContact CE1-CD2 4.41Å; F102-L234 HydrophobicContact CZ-CD2 4.07Å; L231-L234 HydrophobicContact CD2-CD1 3.6Å; L231-L234 WeakPolarHBondContact O-CB 3.39Å; L231-L234 PolarHBondContact O-N 2.93Å; L234-Q236 PolarHBondContact O-N 2.88Å; L234-G237 PolarHBondContact O-N 2.88Å; L234-G237 VanDerWaalsContact O-N 3.15Å; L234-F238 VanDerWaalsContact O-CD2 3.32Å; L234-F238 WeakPolarHBondContact O-CD2 3.44Å; L234-F238 PolarHBondContact O-N 2.98Å; L234-F410 HydrophobicContact CD1-CE2 4.18Å; L234-F410 HydrophobicContact CD1-CZ 3.74Å
235	P	92.4	Very high	92	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-53.3	-42.3	174.5	-29.8	38.2	0	0	0	112.7	L14 C17 Y39 L231 G232 F238 A239	L14-P235 HydrophobicContact CD2-CG 3.89Å; L14-P235 HydrophobicContact CG-CG 4.43Å; C17-P235 HydrophobicContact CB-CB 4.18Å; Y39-P235 HydrophobicContact CD1-CB 4.34Å; Y39-P235 HydrophobicContact CG-CB 4.46Å; L231-P235 WeakPolarHBondContact O-CD 3.48Å; G232-P235 WeakPolarHBondContact O-CD 3.43Å; P235-F238 PolarHBondContact O-N 2.97Å; P235-A239 VanDerWaalsContact O-CB 3.29Å; P235-A239 WeakPolarHBondContact O-CB 3.43Å; P235-A239 PolarHBondContact O-N 3.45Å
236	Q	90.5	Very high	91.6	Very high	85 Å²	85	34.9 Å²	34.9	40%	0.397	18%	0.178	S	C	.	.	H	α-helix	trans	-64.8	-44.5	177.4	-68.2	177.7	71.3	0	0	112.2	Y39 G232 E233 L234 F238 A239 R240	Y39-Q236 HydrophobicContact CD2-CG 3.62Å; Y39-Q236 HydrophobicContact CE2-CG 3.95Å; Y39-Q236 HydrophobicContact CG-CG 4.1Å; G232-Q236 WeakPolarHBondContact O-CG 3.31Å; G232-Q236 PolarHBondContact O-NE2 2.83Å; E233-Q236 PolarHBondContact O-N 3.24Å; E233-Q236 PolarHBondContact OE1-NE2 3.44Å; L234-Q236 PolarHBondContact O-N 2.88Å; Q236-F238 VanDerWaalsContact C-N 3.35Å; Q236-F238 PolarHBondContact O-N 3.46Å; Q236-A239 PolarHBondContact O-N 3.28Å; Q236-R240 WeakPolarHBondContact O-CB 3.5Å; Q236-R240 PolarHBondContact O-N 3.5Å
237	G	90.6	Very high	91.4	Very high	4 Å²	4	35.1 Å²	35.1	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-59.8	-43.3	176.6	0	0	0	0	0	112.5	E233 L234 R240 L241	E233-G237 PolarHBondContact O-N 3.15Å; L234-G237 PolarHBondContact O-N 2.88Å; L234-G237 VanDerWaalsContact O-N 3.15Å; G237-R240 PolarHBondContact O-N 2.97Å; G237-L241 PolarHBondContact O-N 3.02Å
238	F	91.3	Very high	91.3	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-72.5	-32.4	175.3	-80.6	-72.5	0	0	0	113.3	C17 I18 L87 L90 L91 L234 P235 Q236 R240 L241 S242	C17-F238 HydrophobicContact CB-CB 4.05Å; C17-F238 WeakPolarHBondContact O-CB 3.35Å; I18-F238 HydrophobicContact CB-CE2 4.37Å; I18-F238 HydrophobicContact CB-CZ 4.35Å; I18-F238 HydrophobicContact CD1-CE2 4.45Å; I18-F238 HydrophobicContact CG1-CD2 3.76Å; I18-F238 HydrophobicContact CG1-CE1 4.43Å; I18-F238 HydrophobicContact CG1-CE2 3.46Å; I18-F238 VanDerWaalsContact CG1-CE2 3.46Å; I18-F238 HydrophobicContact CG1-CG 4.38Å; I18-F238 HydrophobicContact CG1-CZ 3.83Å; I18-F238 HydrophobicContact CG2-CE1 4.2Å; I18-F238 HydrophobicContact CG2-CZ 4.07Å; L87-F238 HydrophobicContact CD1-CE2 4.41Å; L87-F238 HydrophobicContact CD1-CZ 4.21Å; L90-F238 HydrophobicContact CD2-CE1 3.89Å; L90-F238 HydrophobicContact CD2-CZ 3.88Å; L90-F238 HydrophobicContact CG-CE1 4.25Å; L90-F238 HydrophobicContact CG-CZ 4.32Å; L91-F238 HydrophobicContact CD2-CE2 3.6Å; L91-F238 HydrophobicContact CD2-CZ 3.6Å; L91-F238 HydrophobicContact CG-CZ 4.34Å; L234-F238 VanDerWaalsContact O-CD2 3.32Å; L234-F238 WeakPolarHBondContact O-CD2 3.44Å; L234-F238 PolarHBondContact O-N 2.98Å; P235-F238 PolarHBondContact O-N 2.97Å; Q236-F238 VanDerWaalsContact C-N 3.35Å; Q236-F238 PolarHBondContact O-N 3.46Å; F238-R240 VanDerWaalsContact C-N 3.34Å; F238-L241 HydrophobicContact CD1-CD2 3.94Å; F238-L241 HydrophobicContact CE1-CD2 4.22Å; F238-L241 WeakPolarHBondContact O-CB 3.19Å; F238-L241 PolarHBondContact O-N 3.38Å; F238-S242 WeakPolarHBondContact O-CB 3.43Å; F238-S242 PolarHBondContact O-N 3.4Å
239	A	89.9	Confident	91.2	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-43.9	171.8	0	0	0	0	0	111.5	Y39 P235 Q236 S242 A243 Y249	Y39-A239 HydrophobicContact CE1-CB 3.89Å; P235-A239 VanDerWaalsContact O-CB 3.29Å; P235-A239 WeakPolarHBondContact O-CB 3.43Å; P235-A239 PolarHBondContact O-N 3.45Å; Q236-A239 PolarHBondContact O-N 3.28Å; A239-S242 PolarHBondContact O-N 3.01Å; A239-A243 WeakPolarHBondContact O-CB 3.3Å; A239-A243 PolarHBondContact O-N 3.05Å; A239-Y249 WeakPolarHBondContact CA-OH 3.27Å; A239-Y249 HydrophobicContact CB-CD1 3.74Å; A239-Y249 HydrophobicContact CB-CD2 4.21Å; A239-Y249 HydrophobicContact CB-CE1 3.36Å; A239-Y249 HydrophobicContact CB-CE2 3.93Å; A239-Y249 HydrophobicContact CB-CG 4.14Å; A239-Y249 VanDerWaalsContact CB-CZ 3.48Å
240	R	88.6	Confident	91.1	Very high	149 Å²	149	35.6 Å²	35.6	56%	0.562	19%	0.19	S	C	*	.	H	α-helix	trans	-62.8	-44.5	173.9	-178.2	58.5	175.7	-176.8	2	111.8	Y99 Q236 G237 F238 A243 I244	Y99-R240 HydrophobicContact CE2-CG 4.4Å; Q236-R240 WeakPolarHBondContact O-CB 3.5Å; Q236-R240 PolarHBondContact O-N 3.5Å; G237-R240 PolarHBondContact O-N 2.97Å; F238-R240 VanDerWaalsContact C-N 3.34Å; R240-A243 PolarHBondContact O-N 2.99Å; R240-I244 HydrophobicContact CG-CD1 4.37Å; R240-I244 WeakPolarHBondContact O-CG1 3.43Å; R240-I244 PolarHBondContact O-N 3.23Å
241	L	88.4	Confident	91.1	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-56.3	-53.9	175.2	177.8	68.2	0	0	0	110.8	V25 T94 V96 G237 F238 A243 I244 Y245	V25-L241 HydrophobicContact CG2-CD1 4.34Å; V25-L241 HydrophobicContact CG2-CD2 4.07Å; V25-L241 HydrophobicContact CG2-CG 4.27Å; T94-L241 HydrophobicContact CG2-CD1 4.48Å; T94-L241 HydrophobicContact CG2-CD2 3.67Å; T94-L241 WeakPolarHBondContact O-CD1 3.32Å; V96-L241 HydrophobicContact CG2-CB 3.8Å; V96-L241 HydrophobicContact CG2-CD1 4.25Å; V96-L241 HydrophobicContact CG2-CD2 3.86Å; V96-L241 HydrophobicContact CG2-CG 4.18Å; G237-L241 PolarHBondContact O-N 3.02Å; F238-L241 HydrophobicContact CD1-CD2 3.94Å; F238-L241 HydrophobicContact CE1-CD2 4.22Å; F238-L241 WeakPolarHBondContact O-CB 3.19Å; F238-L241 PolarHBondContact O-N 3.38Å; L241-A243 VanDerWaalsContact C-N 3.25Å; L241-A243 PolarHBondContact O-N 3.35Å; L241-I244 WeakPolarHBondContact O-CB 3.33Å; L241-I244 PolarHBondContact O-N 2.73Å; L241-Y245 HydrophobicContact CD1-CD2 4.03Å; L241-Y245 HydrophobicContact CD1-CE2 3.68Å; L241-Y245 HydrophobicContact CG-CD2 4.43Å; L241-Y245 HydrophobicContact CG-CE2 4.48Å; L241-Y245 WeakPolarHBondContact O-CD2 3.16Å; L241-Y245 PolarHBondContact O-N 3.48Å
242	S	89.8	Confident	91.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-39.8	-179.5	176.5	0	0	0	0	111.4	S20 S24 F238 A239 I244 Y245 G246 G247	S20-S242 PolarHBondContact OG-OG 3.23Å; S24-S242 WeakPolarHBondContact OG-CB 3.4Å; S24-S242 PolarHBondContact OG-OG 2.98Å; F238-S242 WeakPolarHBondContact O-CB 3.43Å; F238-S242 PolarHBondContact O-N 3.4Å; A239-S242 PolarHBondContact O-N 3.01Å; S242-I244 PolarHBondContact O-N 2.83Å; S242-Y245 CarbonylContact O-C 3.32Å; S242-Y245 PolarHBondContact O-N 3.11Å; S242-Y245 VanDerWaalsContact O-N 3.15Å; S242-G246 PolarHBondContact O-N 3.1Å; S242-G247 WeakPolarHBondContact O-CA 3.33Å; S242-G247 PolarHBondContact O-N 3.18Å
243	A	89.9	Confident	91.3	Very high	46 Å²	46	45.8 Å²	45.8	38%	0.38	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-36.9	174.7	0	0	0	0	0	114.4	A239 R240 L241 Y245 G246 G247	A239-A243 WeakPolarHBondContact O-CB 3.3Å; A239-A243 PolarHBondContact O-N 3.05Å; R240-A243 PolarHBondContact O-N 2.99Å; L241-A243 VanDerWaalsContact C-N 3.25Å; L241-A243 PolarHBondContact O-N 3.35Å; A243-Y245 PolarHBondContact O-N 3.01Å; A243-G246 PolarHBondContact O-N 3.47Å; A243-G246 VanDerWaalsContact O-N 3.07Å; A243-G247 WeakPolarHBondContact CA-O 3.34Å
244	I	87.2	Confident	91.5	Very high	86 Å²	86	46.9 Å²	46.9	44%	0.441	25%	0.252	S	S	.	.	H	α-helix	trans	-60.6	-35.3	174.6	-70	164.9	0	0	0	110.9	R240 L241 S242 G246	R240-I244 HydrophobicContact CG-CD1 4.37Å; R240-I244 WeakPolarHBondContact O-CG1 3.43Å; R240-I244 PolarHBondContact O-N 3.23Å; L241-I244 WeakPolarHBondContact O-CB 3.33Å; L241-I244 PolarHBondContact O-N 2.73Å; S242-I244 PolarHBondContact O-N 2.83Å; I244-G246 VanDerWaalsContact C-N 3.29Å; I244-G246 PolarHBondContact O-N 3.05Å
245	Y	87.9	Confident	91.7	Very high	85 Å²	85	48.3 Å²	48.3	33%	0.333	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	16.6	177.4	-73.1	-91.9	0	0	0	113.3	V25 L241 S242 A243	V25-Y245 HydrophobicContact CG2-CD2 3.99Å; V25-Y245 HydrophobicContact CG2-CE1 4.43Å; V25-Y245 HydrophobicContact CG2-CE2 3.76Å; V25-Y245 HydrophobicContact CG2-CG 4.44Å; L241-Y245 HydrophobicContact CD1-CD2 4.03Å; L241-Y245 HydrophobicContact CD1-CE2 3.68Å; L241-Y245 HydrophobicContact CG-CD2 4.43Å; L241-Y245 HydrophobicContact CG-CE2 4.48Å; L241-Y245 WeakPolarHBondContact O-CD2 3.16Å; L241-Y245 PolarHBondContact O-N 3.48Å; S242-Y245 CarbonylContact O-C 3.32Å; S242-Y245 PolarHBondContact O-N 3.11Å; S242-Y245 VanDerWaalsContact O-N 3.15Å; A243-Y245 PolarHBondContact O-N 3.01Å
246	G	87.8	Confident	91.9	Very high	52 Å²	52	52.2 Å²	52.2	54%	0.536	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	8.7	175.1	0	0	0	0	0	115.4	S242 A243 I244	S242-G246 PolarHBondContact O-N 3.1Å; A243-G246 PolarHBondContact O-N 3.47Å; A243-G246 VanDerWaalsContact O-N 3.07Å; I244-G246 VanDerWaalsContact C-N 3.29Å; I244-G246 PolarHBondContact O-N 3.05Å
247	G	92	Very high	92.2	Very high	8 Å²	8	52.5 Å²	52.5	8%	0.082	28%	0.282	C	S	.	.			trans	-66.1	144.8	170.1	0	0	0	0	0	112.1	V30 S242 A243	V30-G247 WeakPolarHBondContact O-CA 3.38Å; S242-G247 WeakPolarHBondContact O-CA 3.33Å; S242-G247 PolarHBondContact O-N 3.18Å; A243-G247 WeakPolarHBondContact CA-O 3.34Å
248	T	93.8	Very high	92.5	Very high	51 Å²	51	53.4 Å²	53.4	31%	0.313	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.4	176.9	-56.7	0	0	0	0	109.9	V30 L31 H32 M250	V30-T248 PolarHBondContact O-N 2.88Å; L31-T248 CarbonylContact C-O 3.48Å; L31-T248 HydrophobicContact CD1-CG2 3.8Å; H32-T248 PolarHBondContact N-O 3.3Å; T248-M250 HydrophobicContact CG2-CE 3.77Å; T248-M250 HydrophobicContact CG2-CG 4.4Å
249	Y	92.6	Very high	92.8	Very high	45 Å²	45	55 Å²	55	18%	0.176	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.7	175.7	-86.4	-106.1	0	0	0	111.1	S20 H32 Y39 A239	S20-Y249 WeakPolarHBondContact CB-OH 3.06Å; S20-Y249 PolarHBondContact OG-OH 3.37Å; H32-Y249 HydrophobicContact CB-CD1 3.78Å; H32-Y249 HydrophobicContact CB-CD2 4.02Å; H32-Y249 HydrophobicContact CB-CE1 3.61Å; H32-Y249 HydrophobicContact CB-CE2 3.79Å; H32-Y249 HydrophobicContact CB-CG 3.99Å; H32-Y249 AromaticContact CD2-CE1 3.78Å; H32-Y249 AromaticContact CE1-CE1 3.78Å; H32-Y249 AromaticContact CE1-CZ 3.99Å; H32-Y249 AromaticContact CG-CD1 3.84Å; H32-Y249 AromaticContact CG-CE1 3.29Å; H32-Y249 AromaticContact CG-CZ 3.5Å; H32-Y249 VanDerWaalsContact CG-CZ 3.5Å; H32-Y249 AromaticContact ND1-CE1 3.3Å; H32-Y249 VanDerWaalsContact ND1-CE1 3.3Å; H32-Y249 WeakPolarHBondContact ND1-CE1 3.41Å; H32-Y249 AromaticContact ND1-CZ 3.2Å; H32-Y249 PolarHBondContact ND1-OH 2.82Å; H32-Y249 CarbonylContact O-C 3.53Å; H32-Y249 WeakPolarHBondContact O-CA 3.35Å; Y39-Y249 HydrophobicContact CE1-CD1 4.03Å; Y39-Y249 HydrophobicContact CE1-CE1 4.28Å; A239-Y249 WeakPolarHBondContact CA-OH 3.27Å; A239-Y249 HydrophobicContact CB-CD1 3.74Å; A239-Y249 HydrophobicContact CB-CD2 4.21Å; A239-Y249 HydrophobicContact CB-CE1 3.36Å; A239-Y249 HydrophobicContact CB-CE2 3.93Å; A239-Y249 HydrophobicContact CB-CG 4.14Å; A239-Y249 VanDerWaalsContact CB-CZ 3.48Å
250	M	93.9	Very high	93.2	Very high	58 Å²	58	58.2 Å²	58.2	29%	0.286	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	101.9	177.5	-60.9	-172.9	-175.2	0	0	109.5	L31 H32 I33 D34 T248 K253	L31-M250 HydrophobicContact CD1-CE 3.7Å; L31-M250 HydrophobicContact CD1-CG 4.04Å; L31-M250 HydrophobicContact CD1-SD 3.92Å; H32-M250 PolarHBondContact O-N 3.32Å; I33-M250 CarbonylContact C-O 3.46Å; I33-M250 WeakPolarHBondContact CA-O 3.21Å; D34-M250 PolarHBondContact N-O 3.37Å; T248-M250 HydrophobicContact CG2-CE 3.77Å; T248-M250 HydrophobicContact CG2-CG 4.4Å; M250-K253 HydrophobicContact CB-CB 4.48Å
251	L	94.8	Very high	93.6	Very high	53 Å²	53	57.5 Å²	57.5	28%	0.277	31%	0.312	S	S	.	.			trans	-85.1	169.3	168.8	-61.2	-178.4	0	0	0	110.4	T12 D34 Y39 K253	T12-L251 HydrophobicContact CG2-CD2 3.92Å; D34-L251 HydrophobicContact CB-CD2 3.71Å; D34-L251 CarbonylContact O-C 3.59Å; Y39-L251 HydrophobicContact CD1-CD2 4.33Å; Y39-L251 HydrophobicContact CD2-CD1 4.21Å; Y39-L251 HydrophobicContact CE1-CD1 4.33Å; Y39-L251 HydrophobicContact CE1-CD2 4.14Å; Y39-L251 HydrophobicContact CE2-CD1 3.8Å; L251-K253 PolarHBondContact O-N 2.79Å
252	D	95.5	Very high	93.9	Very high	114 Å²	114	64.4 Å²	64.4	61%	0.61	35%	0.349	S	S	*	.	S	Bend	trans	53.7	35.7	177.8	-161.9	36.5	0	0	0	112.7	D34 N36 N37	D34-D252 PolarHBondContact O-N 3.1Å; D34-D252 VanDerWaalsContact O-N 3.13Å; N36-D252 PolarHBondContact O-N 3.18Å; N37-D252 HydrophobicContact CB-CB 3.98Å
253	K	96	Very high	94.1	Very high	57 Å²	57	66.9 Å²	66.9	25%	0.248	37%	0.374	C	S	.	.			trans	-120.7	98.2	-178.4	-175.4	75	172.4	-170.9	0	109	I33 D34 M250 L251 V255 C270 E273	I33-K253 HydrophobicContact CG2-CB 3.89Å; I33-K253 HydrophobicContact CG2-CG 4.01Å; D34-K253 PolarHBondContact O-N 3.28Å; M250-K253 HydrophobicContact CB-CB 4.48Å; L251-K253 PolarHBondContact O-N 2.79Å; K253-V255 PolarHBondContact O-N 2.83Å; K253-C270 HydrophobicContact CD-CB 4.25Å; K253-C270 VanDerWaalsContact CE-CB 3.4Å; K253-C270 HydrophobicContact CG-CB 4.16Å; K253-E273 IonicContact NZ-OE2 3.76Å; K253-E273 PolarHBondContact NZ-OE2 3.09Å
254	P	96	Very high	94.5	Very high	80 Å²	80	66.9 Å²	66.9	52%	0.519	37%	0.37	S	S	.	.			trans	-57.4	133.1	175.8	-25.5	34.9	0	0	0	111.7	C270	P254-C270 WeakPolarHBondContact O-CB 3.31Å
255	V	96.8	Very high	95	Very high	30 Å²	30	63.1 Å²	63.1	18%	0.182	35%	0.352	C	S	.	.			trans	-103.5	120.5	174.8	177.7	0	0	0	0	107.8	L10 I33 K253 V268 Y286	L10-V255 HydrophobicContact CD1-CG1 4.12Å; L10-V255 HydrophobicContact CD2-CG2 4.02Å; I33-V255 HydrophobicContact CB-CG2 4.48Å; I33-V255 HydrophobicContact CG2-CG2 3.68Å; K253-V255 PolarHBondContact O-N 2.83Å; V255-V268 HydrophobicContact CG1-CG1 3.45Å; V255-V268 VanDerWaalsContact CG1-CG1 3.45Å; V255-V268 HydrophobicContact CG2-CG1 4.38Å; V255-Y286 HydrophobicContact CB-CD1 4.08Å; V255-Y286 HydrophobicContact CB-CE1 3.95Å; V255-Y286 HydrophobicContact CG1-CD1 4.33Å; V255-Y286 HydrophobicContact CG2-CD1 4.33Å; V255-Y286 HydrophobicContact CG2-CE1 3.87Å
256	D	96.6	Very high	95.5	Very high	84 Å²	84	61.7 Å²	61.7	45%	0.449	35%	0.352	S	S	.	.			trans	-88.8	-35.4	-178.3	-59.8	-48.8	0	0	0	111.9	R269 G271	D256-R269 PolarHBondContact N-O 2.95Å; D256-R269 IonicContact OD2-NH1 2.79Å; D256-R269 PolarHBondContact OD2-NH1 3.22Å; D256-R269 VanDerWaalsContact OD2-NH1 3.09Å; D256-G271 VanDerWaalsContact OD2-CA 3.28Å; D256-G271 WeakPolarHBondContact OD2-CA 3.36Å; D256-G271 PolarHBondContact OD2-N 3.32Å
257	E	96.9	Very high	95.9	Very high	91 Å²	91	59.2 Å²	59.2	43%	0.425	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	139.1	-169.3	-180	178.6	-169.5	0	0	112.6	R269	E257-R269 HydrophobicContact CB-CB 4.26Å; E257-R269 PolarHBondContact N-O 2.93Å; E257-R269 PolarHBondContact O-N 2.87Å; E257-R269 IonicContact OE2-CZ 3.91Å; E257-R269 IonicContact OE2-NE 2.79Å; E257-R269 PolarHBondContact OE2-NE 3.18Å; E257-R269 IonicContact OE2-NH2 2.81Å; E257-R269 PolarHBondContact OE2-NH2 3.42Å
258	I	98.1	Very high	96.2	Very high	23 Å²	23	58.9 Å²	58.9	12%	0.118	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	112.3	161.9	-60	170.8	0	0	0	107	L10 M260 V265 V280 A287 L398	L10-I258 HydrophobicContact CD1-CD1 3.98Å; L10-I258 HydrophobicContact CD1-CG1 3.83Å; I258-M260 HydrophobicContact CG2-SD 3.97Å; I258-M260 PolarHBondContact O-N 3.4Å; I258-V265 HydrophobicContact CG2-CG2 3.99Å; I258-V280 HydrophobicContact CD1-CG1 4.08Å; I258-V280 HydrophobicContact CG1-CG1 4.44Å; I258-V280 HydrophobicContact CG2-CG2 4.3Å; I258-A287 HydrophobicContact CD1-CB 4.28Å; I258-L398 HydrophobicContact CD1-CD1 3.85Å; I258-L398 HydrophobicContact CD1-CD2 4.42Å
259	V	97.6	Very high	96.4	Very high	35 Å²	35	60.2 Å²	60.2	21%	0.212	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	113.2	-172.6	-174.9	0	0	0	0	109.7	T266 G267 R269 V274	V259-T266 PolarHBondContact O-N 3.24Å; V259-T266 PolarHBondContact O-OG1 3.26Å; V259-G267 PolarHBondContact N-O 3.04Å; V259-G267 PolarHBondContact O-N 3.48Å; V259-R269 HydrophobicContact CG2-CB 3.98Å; V259-V274 HydrophobicContact CG2-CG1 4.13Å
260	M	96.8	Very high	96.5	Very high	71 Å²	71	58.3 Å²	58.3	35%	0.35	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.8	-178.9	-55.9	-66.3	-81.7	0	0	110.9	I258 G263 C264 V265	I258-M260 HydrophobicContact CG2-SD 3.97Å; I258-M260 PolarHBondContact O-N 3.4Å; M260-G263 VanDerWaalsContact CE-O 3.25Å; M260-G263 WeakPolarHBondContact CE-O 3.3Å; M260-C264 CarbonylContact C-O 3.38Å; M260-C264 VanDerWaalsContact CA-O 3.27Å; M260-C264 WeakPolarHBondContact CA-O 3.47Å; M260-V265 HydrophobicContact CE-CG2 4.2Å; M260-V265 HydrophobicContact SD-CB 4.19Å; M260-V265 HydrophobicContact SD-CG2 3.48Å; M260-V265 WeakPolarHBondContact SD-CG2 3.45Å
261	K	96.6	Very high	96.5	Very high	134 Å²	134	57.8 Å²	57.8	58%	0.583	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.1	169.5	-171.5	-173.3	171.5	-174.4	0	109.1	G263 C264 T266	K261-G263 PolarHBondContact O-N 3.46Å; K261-C264 PolarHBondContact N-O 2.84Å; K261-C264 PolarHBondContact O-N 2.98Å; K261-T266 HydrophobicContact CB-CG2 3.64Å
262	D	95.6	Very high	96.4	Very high	150 Å²	150	61.1 Å²	61.1	80%	0.802	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	30.8	179.3	-53.9	-42.3	0	0	0	113.5
263	G	94.7	Very high	96.3	Very high	51 Å²	51	59.2 Å²	59.2	53%	0.526	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-3	-178.5	0	0	0	0	0	115.6	M260 K261 S396	M260-G263 VanDerWaalsContact CE-O 3.25Å; M260-G263 WeakPolarHBondContact CE-O 3.3Å; K261-G263 PolarHBondContact O-N 3.46Å; G263-S396 WeakPolarHBondContact O-CA 3.24Å
264	C	97.3	Very high	96.3	Very high	46 Å²	46	60 Å²	60	31%	0.311	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	149.2	-179	-57.5	0	0	0	0	112.5	M260 K261 C395 S396	M260-C264 CarbonylContact C-O 3.38Å; M260-C264 VanDerWaalsContact CA-O 3.27Å; M260-C264 WeakPolarHBondContact CA-O 3.47Å; K261-C264 PolarHBondContact N-O 2.84Å; K261-C264 PolarHBondContact O-N 2.98Å; C264-C395 PolarHBondContact SG-O 3.49Å; C264-S396 CarbonylContact C-O 3.54Å; C264-S396 WeakPolarHBondContact CA-O 3Å
265	V	98	Very high	96.3	Very high	8 Å²	8	56.4 Å²	56.4	5%	0.048	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	137.1	170.8	167.8	0	0	0	0	110.5	I258 M260 V280 S396 N397 L398	I258-V265 HydrophobicContact CG2-CG2 3.99Å; M260-V265 HydrophobicContact CE-CG2 4.2Å; M260-V265 HydrophobicContact SD-CB 4.19Å; M260-V265 HydrophobicContact SD-CG2 3.48Å; M260-V265 WeakPolarHBondContact SD-CG2 3.45Å; V265-V280 HydrophobicContact CG1-CB 4.16Å; V265-V280 HydrophobicContact CG1-CG2 3.54Å; V265-V280 HydrophobicContact CG2-CB 4.18Å; V265-V280 HydrophobicContact CG2-CG2 4.33Å; V265-S396 WeakPolarHBondContact CG2-O 3.39Å; V265-S396 PolarHBondContact N-O 2.97Å; V265-N397 HydrophobicContact CB-CB 4.24Å; V265-N397 WeakPolarHBondContact CG2-O 3.25Å; V265-L398 HydrophobicContact CG2-CB 3.92Å
266	T	97.4	Very high	96.3	Very high	55 Å²	55	61.4 Å²	61.4	34%	0.337	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	-10.2	171.8	56.5	0	0	0	0	113.5	V259 K261 C277	V259-T266 PolarHBondContact O-N 3.24Å; V259-T266 PolarHBondContact O-OG1 3.26Å; K261-T266 HydrophobicContact CB-CG2 3.64Å; T266-C277 CarbonylContact C-O 3.36Å; T266-C277 PolarHBondContact O-N 3.3Å
267	G	97.5	Very high	96.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-177.3	179	0	0	0	0	0	113.7	V259 V275	V259-G267 PolarHBondContact N-O 3.04Å; V259-G267 PolarHBondContact O-N 3.48Å; G267-V275 CarbonylContact C-O 3.53Å; G267-V275 WeakPolarHBondContact CA-O 3.32Å
268	V	97.8	Very high	96.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130	174.7	179.3	0	0	0	0	109	V8 L10 V255 V275 V280	V8-V268 HydrophobicContact CB-CG2 4.19Å; V8-V268 HydrophobicContact CG1-CB 4.35Å; V8-V268 HydrophobicContact CG1-CG2 3.75Å; L10-V268 HydrophobicContact CD1-CG1 4.34Å; L10-V268 HydrophobicContact CD1-CG2 4.31Å; L10-V268 HydrophobicContact CD2-CG1 4.05Å; L10-V268 HydrophobicContact CD2-CG2 4.33Å; V255-V268 HydrophobicContact CG1-CG1 3.45Å; V255-V268 VanDerWaalsContact CG1-CG1 3.45Å; V255-V268 HydrophobicContact CG2-CG1 4.38Å; V268-V275 PolarHBondContact N-O 2.97Å; V268-V275 PolarHBondContact O-N 2.52Å; V268-V280 HydrophobicContact CG2-CG2 3.58Å
269	R	97.1	Very high	96.4	Very high	79 Å²	79	58.3 Å²	58.3	30%	0.298	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127	179.3	-173.7	170.9	58.9	74.7	2	110.8	D256 E257 V259 E273 V274	D256-R269 PolarHBondContact N-O 2.95Å; D256-R269 IonicContact OD2-NH1 2.79Å; D256-R269 PolarHBondContact OD2-NH1 3.22Å; D256-R269 VanDerWaalsContact OD2-NH1 3.09Å; E257-R269 HydrophobicContact CB-CB 4.26Å; E257-R269 PolarHBondContact N-O 2.93Å; E257-R269 PolarHBondContact O-N 2.87Å; E257-R269 IonicContact OE2-CZ 3.91Å; E257-R269 IonicContact OE2-NE 2.79Å; E257-R269 PolarHBondContact OE2-NE 3.18Å; E257-R269 IonicContact OE2-NH2 2.81Å; E257-R269 PolarHBondContact OE2-NH2 3.42Å; V259-R269 HydrophobicContact CG2-CB 3.98Å; R269-E273 WeakPolarHBondContact CA-O 3.5Å; R269-V274 HydrophobicContact CB-CG2 4.12Å; R269-V274 HydrophobicContact CG-CG2 3.99Å
270	C	95.4	Very high	96.5	Very high	6 Å²	6	56.7 Å²	56.7	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	99.8	175.9	-53.7	0	0	0	0	109.1	K253 P254 S272 E273	K253-C270 HydrophobicContact CD-CB 4.25Å; K253-C270 VanDerWaalsContact CE-CB 3.4Å; K253-C270 HydrophobicContact CG-CB 4.16Å; P254-C270 WeakPolarHBondContact O-CB 3.31Å; C270-S272 PolarHBondContact O-N 3.36Å; C270-E273 PolarHBondContact N-O 2.55Å; C270-E273 PolarHBondContact O-N 3.18Å
271	G	93.8	Very high	96.6	Very high	46 Å²	46	53.4 Å²	53.4	47%	0.474	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	-124.5	-170.1	0	0	0	0	0	111.6	D256 E273	D256-G271 VanDerWaalsContact OD2-CA 3.28Å; D256-G271 WeakPolarHBondContact OD2-CA 3.36Å; D256-G271 PolarHBondContact OD2-N 3.32Å; G271-E273 VanDerWaalsContact C-N 3.34Å
272	S	93	Very high	96.6	Very high	124 Å²	124	47.1 Å²	47.1	87%	0.867	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.7	177.7	55.5	0	0	0	0	114.1	C270	C270-S272 PolarHBondContact O-N 3.36Å
273	E	93.4	Very high	96.7	Very high	74 Å²	74	41.3 Å²	41.3	35%	0.346	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.6	-174.2	-61.5	172.9	147.7	0	0	110.7	M1 K253 R269 C270 G271	M1-E273 HydrophobicContact CE-CG 4.32Å; M1-E273 VanDerWaalsContact CE-OE1 3.24Å; M1-E273 WeakPolarHBondContact CE-OE1 3.48Å; M1-E273 VanDerWaalsContact CE-OE2 3.22Å; M1-E273 WeakPolarHBondContact CE-OE2 3.38Å; K253-E273 IonicContact NZ-OE2 3.76Å; K253-E273 PolarHBondContact NZ-OE2 3.09Å; R269-E273 WeakPolarHBondContact CA-O 3.5Å; C270-E273 PolarHBondContact N-O 2.55Å; C270-E273 PolarHBondContact O-N 3.18Å; G271-E273 VanDerWaalsContact C-N 3.34Å
274	V	95.6	Very high	96.9	Very high	72 Å²	72	39.4 Å²	39.4	44%	0.436	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114	169.6	179.7	0	0	0	0	108.2	V259 R269	V259-V274 HydrophobicContact CG2-CG1 4.13Å; R269-V274 HydrophobicContact CB-CG2 4.12Å; R269-V274 HydrophobicContact CG-CG2 3.99Å
275	V	95.9	Very high	96.8	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.03	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.2	171.5	-175.9	0	0	0	0	108.2	M1 Y5 V8 L31 G267 V268	M1-V275 HydrophobicContact SD-CG2 3.68Å; Y5-V275 HydrophobicContact CD2-CG1 3.45Å; Y5-V275 VanDerWaalsContact CD2-CG1 3.45Å; Y5-V275 HydrophobicContact CE2-CG1 3.69Å; V8-V275 HydrophobicContact CG2-CG1 4.31Å; L31-V275 HydrophobicContact CD2-CB 4.27Å; L31-V275 HydrophobicContact CD2-CG1 3.68Å; L31-V275 HydrophobicContact CD2-CG2 3.94Å; G267-V275 CarbonylContact C-O 3.53Å; G267-V275 WeakPolarHBondContact CA-O 3.32Å; V268-V275 PolarHBondContact N-O 2.97Å; V268-V275 PolarHBondContact O-N 2.52Å
276	K	97.7	Very high	96.8	Very high	136 Å²	136	40.3 Å²	40.3	59%	0.591	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	136.5	176	-67.4	-177.6	-179.2	174.6	0	110.7	E4 Y5	E4-K276 HydrophobicContact CB-CB 4.41Å; E4-K276 HydrophobicContact CG-CB 4.23Å; Y5-K276 PolarHBondContact N-O 3.47Å
277	C	97.7	Very high	96.8	Very high	1 Å²	1	38 Å²	38	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	156.5	175.3	62.5	0	0	0	0	112.6	Y5 V8 T266	Y5-C277 WeakPolarHBondContact O-CA 3.4Å; V8-C277 HydrophobicContact CB-CB 4.27Å; V8-C277 HydrophobicContact CG2-CB 3.5Å; V8-C277 VanDerWaalsContact CG2-SG 3.58Å; T266-C277 CarbonylContact C-O 3.36Å; T266-C277 PolarHBondContact O-N 3.3Å
278	K	97.6	Very high	96.8	Very high	104 Å²	104	42.4 Å²	42.4	45%	0.452	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-34.1	178.5	-58	173.2	-172.3	157.4	0	112.7	Y5 D6 N397	Y5-K278 PolarHBondContact O-N 3.13Å; D6-K278 IonicContact OD1-NZ 3.48Å; D6-K278 PolarHBondContact OD1-NZ 3.38Å; K278-N397 VanDerWaalsContact O-CB 3.3Å; K278-N397 WeakPolarHBondContact O-CB 3.42Å
279	Q	98.4	Very high	96.7	Very high	28 Å²	28	48.1 Å²	48.1	13%	0.131	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.2	-175.3	-58.6	179.8	-52.1	0	0	110.9	D6 C7 V8 Y281 N397 F399 G424	D6-Q279 PolarHBondContact O-N 2.96Å; D6-Q279 VanDerWaalsContact O-N 3.15Å; C7-Q279 WeakPolarHBondContact CA-O 3.4Å; V8-Q279 PolarHBondContact N-O 2.98Å; Q279-Y281 HydrophobicContact CB-CE2 3.9Å; Q279-Y281 PolarHBondContact OE1-OH 3.26Å; Q279-N397 WeakPolarHBondContact CA-O 3.39Å; Q279-N397 HydrophobicContact CG-CB 4.13Å; Q279-F399 HydrophobicContact CB-CE2 4.24Å; Q279-F399 HydrophobicContact CG-CE2 4.22Å; Q279-G424 PolarHBondContact NE2-O 3.42Å
280	V	98.7	Very high	96.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.2	171.2	168.8	0	0	0	0	109.7	V8 L10 I258 V265 V268 N397 L398 F399	V8-V280 HydrophobicContact CB-CG2 4.18Å; V8-V280 CarbonylContact O-C 3.5Å; V8-V280 VanDerWaalsContact O-CA 3.26Å; V8-V280 WeakPolarHBondContact O-CA 3.47Å; L10-V280 HydrophobicContact CD1-CG1 3.93Å; L10-V280 HydrophobicContact CG-CG1 4.16Å; I258-V280 HydrophobicContact CD1-CG1 4.08Å; I258-V280 HydrophobicContact CG1-CG1 4.44Å; I258-V280 HydrophobicContact CG2-CG2 4.3Å; V265-V280 HydrophobicContact CG1-CB 4.16Å; V265-V280 HydrophobicContact CG1-CG2 3.54Å; V265-V280 HydrophobicContact CG2-CB 4.18Å; V265-V280 HydrophobicContact CG2-CG2 4.33Å; V268-V280 HydrophobicContact CG2-CG2 3.58Å; V280-N397 PolarHBondContact N-O 2.92Å; V280-L398 HydrophobicContact CB-CD1 3.92Å; V280-L398 HydrophobicContact CG1-CD1 3.62Å; V280-L398 CarbonylContact O-C 3.51Å; V280-L398 WeakPolarHBondContact O-CA 3.38Å; V280-F399 PolarHBondContact O-N 3.49Å
281	Y	98.7	Very high	96.9	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.8	170.6	-56.8	-106.6	0	0	0	108.5	C7 V8 I9 L10 V19 L23 Q279 F399 I420 G424	C7-Y281 HydrophobicContact CB-CD2 4.23Å; C7-Y281 HydrophobicContact CB-CE2 3.93Å; V8-Y281 PolarHBondContact O-N 3.07Å; I9-Y281 CarbonylContact C-O 3.55Å; I9-Y281 VanDerWaalsContact CA-O 3.28Å; I9-Y281 WeakPolarHBondContact CA-O 3.27Å; I9-Y281 HydrophobicContact CD1-CD2 3.54Å; I9-Y281 HydrophobicContact CD1-CE2 4.47Å; I9-Y281 HydrophobicContact CD1-CG 3.75Å; L10-Y281 PolarHBondContact N-O 3.3Å; V19-Y281 HydrophobicContact CG1-CD1 3.79Å; V19-Y281 HydrophobicContact CG1-CE1 4.18Å; V19-Y281 HydrophobicContact CG1-CG 4.25Å; L23-Y281 HydrophobicContact CD1-CD1 4.49Å; L23-Y281 HydrophobicContact CD1-CD2 3.93Å; L23-Y281 HydrophobicContact CD1-CE1 4.22Å; L23-Y281 HydrophobicContact CD1-CE2 3.62Å; L23-Y281 HydrophobicContact CD1-CG 4.36Å; Q279-Y281 HydrophobicContact CB-CE2 3.9Å; Q279-Y281 PolarHBondContact OE1-OH 3.26Å; Y281-F399 CarbonylContact C-O 3.56Å; Y281-F399 WeakPolarHBondContact CA-O 3.42Å; Y281-F399 HydrophobicContact CD1-CB 3.56Å; Y281-F399 HydrophobicContact CD1-CD2 4.09Å; Y281-F399 HydrophobicContact CD1-CG 4.12Å; Y281-F399 HydrophobicContact CE1-CB 3.81Å; Y281-F399 AromaticContact CE1-CD2 3.69Å; Y281-F399 HydrophobicContact CE1-CD2 3.69Å; Y281-F399 AromaticContact CE1-CG 3.86Å; Y281-F399 HydrophobicContact CE1-CG 3.86Å; Y281-F399 HydrophobicContact CE2-CD2 4.2Å; Y281-F399 HydrophobicContact CG-CB 4.26Å; Y281-F399 AromaticContact CZ-CD2 3.75Å; Y281-I420 HydrophobicContact CD1-CG2 3.49Å; Y281-I420 VanDerWaalsContact CD1-CG2 3.49Å; Y281-I420 HydrophobicContact CE1-CG2 3.85Å; Y281-G424 VanDerWaalsContact OH-CA 3.27Å; Y281-G424 WeakPolarHBondContact OH-CA 3.25Å
282	C	98.4	Very high	97.1	Very high	1 Å²	1	53 Å²	53	1%	0.007	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	161.2	-178.4	63.5	0	0	0	0	114.3	L10 Y286 F399 I400 S401	L10-C282 HydrophobicContact CB-CB 3.71Å; L10-C282 HydrophobicContact CD1-CB 4.39Å; L10-C282 HydrophobicContact CG-CB 4.32Å; L10-C282 VanDerWaalsContact O-CA 3.26Å; L10-C282 WeakPolarHBondContact O-CA 3.44Å; L10-C282 WeakPolarHBondContact O-CB 3.48Å; C282-Y286 HydrophobicContact CB-CD2 4.35Å; C282-Y286 HydrophobicContact CB-CG 4.39Å; C282-F399 PolarHBondContact N-O 2.89Å; C282-F399 VanDerWaalsContact N-O 3.08Å; C282-I400 VanDerWaalsContact O-CA 3.31Å; C282-I400 WeakPolarHBondContact O-CA 3.1Å; C282-I400 WeakPolarHBondContact O-CG2 3.44Å; C282-S401 PolarHBondContact O-N 3.24Å; C282-S401 PolarHBondContact O-OG 2.87Å
283	D	97.3	Very high	97.4	Very high	29 Å²	29	52.2 Å²	52.2	16%	0.155	26%	0.262	C	S	.	.			trans	-71.4	157.6	163	79.5	65.8	0	0	0	111.4	L10 E16 S285 Y286 S401	L10-D283 PolarHBondContact O-N 3.06Å; E16-D283 HydrophobicContact CG-CB 4.48Å; D283-S285 PolarHBondContact O-N 2.82Å; D283-S285 WeakPolarHBondContact OD1-CA 3.3Å; D283-S285 WeakPolarHBondContact OD1-CB 3.03Å; D283-S285 PolarHBondContact OD1-N 2.99Å; D283-S285 PolarHBondContact OD1-OG 3.39Å; D283-Y286 PolarHBondContact O-N 3.22Å; D283-Y286 WeakPolarHBondContact OD2-CD2 3.24Å; D283-Y286 VanDerWaalsContact OD2-CE2 3.26Å; D283-Y286 WeakPolarHBondContact OD2-CE2 3.46Å; D283-S401 WeakPolarHBondContact CA-OG 3.29Å
284	P	97.8	Very high	97.6	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.071	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-50.4	-28	-177.4	-33.9	38.5	0	0	0	116.2	Y286 A287 V291 L387 I400 S401	P284-Y286 VanDerWaalsContact C-N 3.26Å; P284-Y286 PolarHBondContact O-N 3.4Å; P284-A287 CarbonylContact O-C 3.56Å; P284-A287 PolarHBondContact O-N 2.62Å; P284-V291 HydrophobicContact CB-CG1 3.99Å; P284-V291 HydrophobicContact CB-CG2 4.35Å; P284-V291 HydrophobicContact CG-CG1 4.48Å; P284-L387 HydrophobicContact CB-CB 3.86Å; P284-L387 HydrophobicContact CB-CD1 3.62Å; P284-L387 HydrophobicContact CB-CG 4.37Å; P284-L387 HydrophobicContact CG-CB 3.98Å; P284-I400 HydrophobicContact CG-CG2 4.26Å; P284-S401 WeakPolarHBondContact CG-O 3.49Å
285	S	96.7	Very high	97.7	Very high	48 Å²	48	50 Å²	50	34%	0.336	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-74.6	-13.2	-173.4	78.8	0	0	0	0	114.3	R35 D283	R35-S285 PolarHBondContact NH2-OG 2.86Å; D283-S285 PolarHBondContact O-N 2.82Å; D283-S285 WeakPolarHBondContact OD1-CA 3.3Å; D283-S285 WeakPolarHBondContact OD1-CB 3.03Å; D283-S285 PolarHBondContact OD1-N 2.99Å; D283-S285 PolarHBondContact OD1-OG 3.39Å
286	Y	97.7	Very high	97.8	Very high	25 Å²	25	52.8 Å²	52.8	10%	0.098	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-89.6	-14.7	172.9	-70.9	-86.4	0	0	0	113	L10 G11 D34 R35 V255 C282 D283 P284	L10-Y286 HydrophobicContact CB-CD1 3.74Å; L10-Y286 HydrophobicContact CB-CD2 3.83Å; L10-Y286 HydrophobicContact CB-CE1 3.99Å; L10-Y286 HydrophobicContact CB-CE2 4.08Å; L10-Y286 HydrophobicContact CB-CG 3.64Å; L10-Y286 HydrophobicContact CD1-CD1 4Å; L10-Y286 HydrophobicContact CD1-CG 4.18Å; L10-Y286 HydrophobicContact CG-CD1 4.45Å; G11-Y286 VanDerWaalsContact CA-CE2 3.47Å; G11-Y286 VanDerWaalsContact N-CE2 3.35Å; D34-Y286 PolarHBondContact OD1-OH 2.75Å; R35-Y286 WeakPolarHBondContact CG-OH 3.47Å; R35-Y286 PolarHBondContact N-OH 3.42Å; V255-Y286 HydrophobicContact CB-CD1 4.08Å; V255-Y286 HydrophobicContact CB-CE1 3.95Å; V255-Y286 HydrophobicContact CG1-CD1 4.33Å; V255-Y286 HydrophobicContact CG2-CD1 4.33Å; V255-Y286 HydrophobicContact CG2-CE1 3.87Å; C282-Y286 HydrophobicContact CB-CD2 4.35Å; C282-Y286 HydrophobicContact CB-CG 4.39Å; D283-Y286 PolarHBondContact O-N 3.22Å; D283-Y286 WeakPolarHBondContact OD2-CD2 3.24Å; D283-Y286 VanDerWaalsContact OD2-CE2 3.26Å; D283-Y286 WeakPolarHBondContact OD2-CE2 3.46Å; P284-Y286 VanDerWaalsContact C-N 3.26Å; P284-Y286 PolarHBondContact O-N 3.4Å
287	A	97.4	Very high	97.8	Very high	6 Å²	6	46.3 Å²	46.3	5%	0.05	24%	0.242	C	C	.	.			trans	-135.9	57.6	-178.8	0	0	0	0	0	112.2	I258 P284 T289 K290 L398 I400	I258-A287 HydrophobicContact CD1-CB 4.28Å; P284-A287 CarbonylContact O-C 3.56Å; P284-A287 PolarHBondContact O-N 2.62Å; A287-T289 PolarHBondContact O-N 3.15Å; A287-K290 HydrophobicContact CB-CB 4.13Å; A287-K290 HydrophobicContact CB-CG 4.49Å; A287-K290 PolarHBondContact O-N 2.94Å; A287-L398 HydrophobicContact CB-CD2 4.19Å; A287-I400 HydrophobicContact CB-CD1 3.66Å; A287-I400 HydrophobicContact CB-CG1 4.26Å
288	P	96.4	Very high	97.9	Very high	93 Å²	93	46.3 Å²	46.3	60%	0.604	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.8	-171	25.4	-35.9	0	0	0	114.4
289	T	96.6	Very high	97.9	Very high	120 Å²	120	41.6 Å²	41.6	74%	0.736	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.3	177.3	59.9	0	0	0	0	113.7	A287	A287-T289 PolarHBondContact O-N 3.15Å
290	K	97.8	Very high	97.9	Very high	73 Å²	73	40.3 Å²	40.3	32%	0.317	22%	0.215	S	C	.	.	S	Bend	trans	-113.7	10.9	-177.1	-63.7	-63.5	-167.8	169.1	0	112.8	A287 I390 L398 I400	A287-K290 HydrophobicContact CB-CB 4.13Å; A287-K290 HydrophobicContact CB-CG 4.49Å; A287-K290 PolarHBondContact O-N 2.94Å; K290-I390 HydrophobicContact CD-CD1 4.26Å; K290-I390 WeakPolarHBondContact O-CG1 3.42Å; K290-I390 PolarHBondContact O-N 3.3Å; K290-L398 HydrophobicContact CG-CD2 4.09Å; K290-I400 HydrophobicContact CB-CD1 3.44Å; K290-I400 VanDerWaalsContact CB-CD1 3.44Å
291	V	98.5	Very high	97.9	Very high	21 Å²	21	40.3 Å²	40.3	13%	0.127	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	154.5	178	-63.1	0	0	0	0	110.2	P284 L387 E388 I400	P284-V291 HydrophobicContact CB-CG1 3.99Å; P284-V291 HydrophobicContact CB-CG2 4.35Å; P284-V291 HydrophobicContact CG-CG1 4.48Å; V291-L387 HydrophobicContact CB-CB 4.31Å; V291-L387 HydrophobicContact CG2-CB 4.43Å; V291-L387 HydrophobicContact CG2-CD1 4.19Å; V291-E388 CarbonylContact C-O 3.58Å; V291-E388 VanDerWaalsContact CA-O 3.23Å; V291-E388 WeakPolarHBondContact CA-O 3.21Å; V291-E388 WeakPolarHBondContact CB-O 3.28Å; V291-I400 HydrophobicContact CG1-CD1 3.99Å; V291-I400 HydrophobicContact CG1-CG2 3.79Å
292	R	98.4	Very high	97.9	Very high	140 Å²	140	40.1 Å²	40.1	53%	0.528	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.1	172.3	64.6	-180	-175	-172.7	-0.4	110.2	V294 L387 E388 I390	R292-V294 HydrophobicContact CG-CG1 4.21Å; R292-L387 WeakPolarHBondContact O-CA 3.28Å; R292-E388 HydrophobicContact CG-CG 3.89Å; R292-E388 IonicContact CZ-OE1 2.88Å; R292-E388 PolarHBondContact N-O 3.34Å; R292-E388 IonicContact NE-OE1 3.42Å; R292-E388 PolarHBondContact NE-OE1 3.39Å; R292-E388 IonicContact NH2-OE1 3.59Å; R292-E388 PolarHBondContact NH2-OE1 3.04Å; R292-E388 PolarHBondContact O-N 3.02Å; R292-I390 HydrophobicContact CB-CG2 3.95Å; R292-I390 HydrophobicContact CG-CG2 4.18Å
293	K	98.3	Very high	98	Very high	107 Å²	107	40.1 Å²	40.1	47%	0.465	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.4	171.5	-177.5	175.4	-179.1	159	0	110.1	Q296 D385 L386 L387	K293-Q296 VanDerWaalsContact CE-CG 3.42Å; K293-Q296 VanDerWaalsContact NZ-CD 3.34Å; K293-Q296 VanDerWaalsContact NZ-NE2 3.15Å; K293-D385 HydrophobicContact CD-CB 4.37Å; K293-D385 WeakPolarHBondContact CD-OD2 3.38Å; K293-D385 VanDerWaalsContact CE-CG 3.46Å; K293-D385 VanDerWaalsContact CE-OD1 3.3Å; K293-D385 WeakPolarHBondContact CE-OD1 3.34Å; K293-D385 WeakPolarHBondContact CE-OD2 3.43Å; K293-D385 HydrophobicContact CG-CB 4.48Å; K293-D385 IonicContact NZ-OD1 3.42Å; K293-D385 PolarHBondContact NZ-OD1 2.84Å; K293-D385 IonicContact NZ-OD2 3.66Å; K293-D385 PolarHBondContact NZ-OD2 2.96Å; K293-L386 WeakPolarHBondContact CA-O 3.22Å; K293-L387 HydrophobicContact CB-CD2 3.98Å
294	V	97.5	Very high	98	Very high	79 Å²	79	38.8 Å²	38.8	48%	0.479	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-7.9	177.6	-69.3	0	0	0	0	113.6	R292 L386 E388	R292-V294 HydrophobicContact CG-CG1 4.21Å; V294-L386 HydrophobicContact CG2-CB 4.01Å; V294-L386 WeakPolarHBondContact CG2-O 3.37Å; V294-L386 PolarHBondContact N-O 3.3Å; V294-E388 HydrophobicContact CG1-CG 3.64Å; V294-E388 VanDerWaalsContact CG1-OE1 3.31Å; V294-E388 WeakPolarHBondContact CG1-OE1 3.45Å; V294-E388 HydrophobicContact CG2-CG 4.32Å
295	G	97.7	Very high	98	Very high	21 Å²	21	42.9 Å²	42.9	22%	0.216	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-162.7	176.8	0	0	0	0	0	111.4	L386	G295-L386 PolarHBondContact O-N 3.31Å
296	Q	98.4	Very high	98.1	Very high	63 Å²	63	42.6 Å²	42.6	29%	0.294	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.5	172.3	-58.1	-174.2	-83.6	0	0	109.2	K293 V357 I383 S384 D385	K293-Q296 VanDerWaalsContact CE-CG 3.42Å; K293-Q296 VanDerWaalsContact NZ-CD 3.34Å; K293-Q296 VanDerWaalsContact NZ-NE2 3.15Å; Q296-V357 HydrophobicContact CB-CB 3.99Å; Q296-V357 HydrophobicContact CB-CG2 3.82Å; Q296-V357 PolarHBondContact O-N 3.19Å; Q296-I383 HydrophobicContact CB-CG2 4Å; Q296-S384 CarbonylContact C-O 3.59Å; Q296-S384 VanDerWaalsContact CA-O 3.24Å; Q296-S384 WeakPolarHBondContact CA-O 3.39Å; Q296-S384 WeakPolarHBondContact CB-O 3.38Å; Q296-D385 WeakPolarHBondContact CG-OD1 3.31Å; Q296-D385 PolarHBondContact NE2-OD1 2.89Å
297	V	98.3	Very high	98.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.1	173.4	54.6	0	0	0	0	108.6	R299 I383 S384 L386 A406	V297-R299 HydrophobicContact CG2-CG 4.09Å; V297-I383 CarbonylContact O-C 3.53Å; V297-I383 VanDerWaalsContact O-CA 3.29Å; V297-I383 WeakPolarHBondContact O-CA 3.42Å; V297-S384 VanDerWaalsContact CG1-OG 3.27Å; V297-S384 WeakPolarHBondContact CG1-OG 3.35Å; V297-S384 PolarHBondContact N-O 3.07Å; V297-S384 PolarHBondContact O-N 2.94Å; V297-L386 HydrophobicContact CB-CD2 4.24Å; V297-L386 HydrophobicContact CB-CG 4.44Å; V297-L386 HydrophobicContact CG1-CD2 3.94Å; V297-L386 HydrophobicContact CG1-CG 4.4Å; V297-A406 HydrophobicContact CG2-CB 3.72Å
298	I	98.6	Very high	98.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.9	168.7	-174.1	178.5	0	0	0	109.4	S354 T355 V357 P362 E363 L366 V381 S382 I383	I298-S354 VanDerWaalsContact O-CA 3.22Å; I298-S354 WeakPolarHBondContact O-CA 3.23Å; I298-S354 WeakPolarHBondContact O-CB 3.44Å; I298-T355 HydrophobicContact CG2-CG2 3.83Å; I298-T355 PolarHBondContact N-O 3.26Å; I298-T355 PolarHBondContact O-N 3.46Å; I298-T355 VanDerWaalsContact O-N 3.16Å; I298-V357 HydrophobicContact CB-CG2 4.05Å; I298-V357 HydrophobicContact CG2-CG2 4.11Å; I298-P362 HydrophobicContact CB-CB 4.23Å; I298-P362 HydrophobicContact CD1-CB 3.8Å; I298-P362 WeakPolarHBondContact CD1-O 3.22Å; I298-P362 HydrophobicContact CG2-CB 4.37Å; I298-E363 VanDerWaalsContact CD1-CA 3.41Å; I298-E363 HydrophobicContact CD1-CB 4.05Å; I298-E363 VanDerWaalsContact CD1-N 3.34Å; I298-L366 HydrophobicContact CD1-CD1 3.77Å; I298-L366 HydrophobicContact CD1-CG 4.18Å; I298-L366 HydrophobicContact CG1-CD1 3.83Å; I298-L366 HydrophobicContact CG1-CG 4.41Å; I298-L366 HydrophobicContact CG2-CD1 4.28Å; I298-L366 HydrophobicContact CG2-CD2 3.96Å; I298-L366 HydrophobicContact CG2-CG 3.99Å; I298-V381 HydrophobicContact CD1-CG1 3.8Å; I298-V381 HydrophobicContact CG1-CG1 4.04Å; I298-S382 WeakPolarHBondContact CA-O 3.48Å; I298-I383 HydrophobicContact CB-CG1 4.1Å; I298-I383 HydrophobicContact CD1-CG1 4.3Å; I298-I383 HydrophobicContact CG1-CG1 3.93Å
299	R	98.6	Very high	98.2	Very high	6 Å²	6	40.7 Å²	40.7	2%	0.023	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.2	174.6	-53	-169.7	175.7	90.3	2.2	110.1	E42 V297 I352 V353 V381 S382 S384 Y404 D405	E42-R299 IonicContact OE1-NH1 3.36Å; V297-R299 HydrophobicContact CG2-CG 4.09Å; R299-I352 HydrophobicContact CB-CG2 4.32Å; R299-V353 CarbonylContact C-O 3.57Å; R299-V353 WeakPolarHBondContact CA-O 3.49Å; R299-V381 WeakPolarHBondContact O-CA 3.35Å; R299-S382 PolarHBondContact N-O 3.06Å; R299-S382 PolarHBondContact O-N 3.46Å; R299-S384 PolarHBondContact NH1-OG 3.28Å; R299-S384 VanDerWaalsContact NH1-OG 3.13Å; R299-Y404 PolarHBondContact NH2-O 2.88Å; R299-D405 PolarHBondContact NH2-O 3.07Å
300	A	98.7	Very high	98.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	111.8	169.1	0	0	0	0	0	110.4	I352 V353 L366 L370 K379 F380 V381	A300-I352 WeakPolarHBondContact O-CA 3.43Å; A300-V353 PolarHBondContact N-O 3.05Å; A300-V353 PolarHBondContact O-N 2.71Å; A300-L366 HydrophobicContact CB-CD1 3.52Å; A300-L370 HydrophobicContact CB-CD2 4.16Å; A300-K379 HydrophobicContact CB-CD 4.34Å; A300-K379 HydrophobicContact CB-CG 4.23Å; A300-F380 CarbonylContact C-O 3.51Å; A300-F380 VanDerWaalsContact CA-O 3.27Å; A300-F380 WeakPolarHBondContact CA-O 3.44Å; A300-V381 HydrophobicContact CB-CG2 4.2Å
301	I	98.8	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120	171.1	-51.6	179.2	0	0	0	108	L52 F56 V74 L76 L303 V350 I352 K379 F380	L52-I301 HydrophobicContact CD1-CD1 4.1Å; F56-I301 HydrophobicContact CE2-CD1 4.17Å; F56-I301 HydrophobicContact CZ-CD1 4.2Å; V74-I301 HydrophobicContact CG1-CD1 4.33Å; V74-I301 HydrophobicContact CG1-CG2 3.86Å; L76-I301 HydrophobicContact CD2-CD1 4.01Å; I301-L303 HydrophobicContact CG2-CD2 4.3Å; I301-V350 HydrophobicContact CG2-CG1 4.11Å; I301-I352 HydrophobicContact CB-CG1 4.34Å; I301-I352 HydrophobicContact CD1-CD1 4.27Å; I301-I352 HydrophobicContact CG1-CD1 3.8Å; I301-I352 HydrophobicContact CG1-CG1 4.02Å; I301-I352 HydrophobicContact CG2-CD1 4.36Å; I301-I352 HydrophobicContact CG2-CG1 4.27Å; I301-K379 CarbonylContact O-C 3.58Å; I301-K379 VanDerWaalsContact O-CA 3.31Å; I301-K379 WeakPolarHBondContact O-CA 3.25Å; I301-F380 HydrophobicContact CB-CB 4.31Å; I301-F380 HydrophobicContact CB-CD2 4.24Å; I301-F380 HydrophobicContact CG2-CD2 4.33Å; I301-F380 PolarHBondContact N-O 3.38Å; I301-F380 PolarHBondContact O-N 3Å
302	C	98.8	Very high	97.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.2	-174.5	-58.1	0	0	0	0	109.6	F304 A351 L370 L373 I376 Q378	C302-F304 HydrophobicContact CB-CD1 4.26Å; C302-F304 HydrophobicContact CB-CE1 4.21Å; C302-A351 PolarHBondContact N-O 2.91Å; C302-A351 PolarHBondContact O-N 3.47Å; C302-L370 VanDerWaalsContact SG-CD2 3.56Å; C302-L373 HydrophobicContact CB-CD1 3.68Å; C302-I376 HydrophobicContact CB-CG2 3.98Å; C302-Q378 CarbonylContact C-O 2.99Å; C302-Q378 WeakPolarHBondContact CA-O 3.38Å
303	L	98.7	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.6	174.4	-47.5	-172.7	0	0	0	109.2	L49 L52 M66 W72 I301 Y349 V350 Y377 Q378 F380	L49-L303 HydrophobicContact CD1-CD1 4.11Å; L52-L303 HydrophobicContact CD2-CD1 4.25Å; M66-L303 HydrophobicContact CE-CB 4.15Å; M66-L303 HydrophobicContact CE-CD1 3.84Å; M66-L303 HydrophobicContact SD-CD1 4.31Å; W72-L303 HydrophobicContact CH2-CD1 4.35Å; W72-L303 HydrophobicContact CZ3-CD1 4.16Å; W72-L303 HydrophobicContact CZ3-CD2 3.98Å; W72-L303 HydrophobicContact CZ3-CG 4.49Å; I301-L303 HydrophobicContact CG2-CD2 4.3Å; L303-Y349 WeakPolarHBondContact CA-O 3.36Å; L303-V350 HydrophobicContact CD2-CB 4.4Å; L303-V350 HydrophobicContact CD2-CG1 4.2Å; L303-V350 HydrophobicContact CD2-CG2 3.95Å; L303-Y377 WeakPolarHBondContact O-CA 3.26Å; L303-Y377 VanDerWaalsContact O-CB 3.23Å; L303-Y377 WeakPolarHBondContact O-CB 3.35Å; L303-Y377 PolarHBondContact O-N 3.43Å; L303-Q378 HydrophobicContact CB-CB 4.38Å; L303-Q378 PolarHBondContact N-O 2.72Å; L303-Q378 PolarHBondContact O-N 2.94Å; L303-F380 HydrophobicContact CD1-CE2 3.85Å; L303-F380 HydrophobicContact CD1-CZ 4.46Å; L303-F380 HydrophobicContact CG-CE2 4.01Å
304	F	98.5	Very high	97.4	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	171.4	178.3	49.9	-84.8	0	0	0	110.7	C302 H306 I308 M336 Y349 A351 L373	C302-F304 HydrophobicContact CB-CD1 4.26Å; C302-F304 HydrophobicContact CB-CE1 4.21Å; F304-H306 AromaticContact CD2-CE1 3.74Å; F304-H306 AromaticContact CD2-ND1 3.82Å; F304-H306 WeakPolarHBondContact CD2-O 3.49Å; F304-H306 WeakPolarHBondContact CE2-O 3.29Å; F304-I308 HydrophobicContact CE2-CG1 4.28Å; F304-I308 HydrophobicContact CZ-CG1 4.11Å; F304-M336 HydrophobicContact CE2-SD 3.99Å; F304-M336 HydrophobicContact CZ-CG 4.21Å; F304-M336 HydrophobicContact CZ-SD 3.94Å; F304-Y349 HydrophobicContact CD2-CG 4.44Å; F304-Y349 HydrophobicContact CE2-CG 4.16Å; F304-Y349 PolarHBondContact N-O 3.34Å; F304-Y349 PolarHBondContact O-N 3.36Å; F304-A351 HydrophobicContact CE1-CB 3.53Å; F304-A351 HydrophobicContact CZ-CB 3.67Å; F304-L373 HydrophobicContact CE1-CD1 4.29Å
305	N	97.9	Very high	97.4	Very high	97 Å²	97	35.6 Å²	35.6	52%	0.519	20%	0.198	S	C	.	.	S	Bend	trans	-121.7	28.7	-167.3	62.5	-3.9	0	0	0	113.7	G347 W348	N305-G347 CarbonylContact C-O 3.39Å; N305-G347 VanDerWaalsContact CA-O 3.24Å; N305-G347 WeakPolarHBondContact CA-O 3.23Å; N305-W348 HydrophobicContact CB-CD2 4.3Å; N305-W348 HydrophobicContact CB-CE3 4.28Å; N305-W348 HydrophobicContact CB-CZ3 4.48Å
306	H	98.3	Very high	97.4	Very high	42 Å²	42	34.6 Å²	34.6	19%	0.194	19%	0.188	C	C	.	.	S	Bend	trans	-145.5	157.8	176.5	52.8	76.3	0	0	0	110	F304 Y349 L373 P375	F304-H306 AromaticContact CD2-CE1 3.74Å; F304-H306 AromaticContact CD2-ND1 3.82Å; F304-H306 WeakPolarHBondContact CD2-O 3.49Å; F304-H306 WeakPolarHBondContact CE2-O 3.29Å; H306-Y349 VanDerWaalsContact O-CD2 3.27Å; H306-Y349 WeakPolarHBondContact O-CD2 3.3Å; H306-L373 PolarHBondContact CE1-O 3.39Å; H306-P375 PolarHBondContact NE2-O 3.06Å
307	P	98	Very high	97.4	Very high	24 Å²	24	31.6 Å²	31.6	16%	0.156	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-63.8	161	167.8	28.9	-34	0	0	0	110.7	D313 Y349	P307-D313 HydrophobicContact CG-CB 4.23Å; P307-D313 WeakPolarHBondContact CG-OD1 3.29Å; P307-Y349 HydrophobicContact CB-CE1 4.24Å
308	I	98.2	Very high	97.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-63	131.6	170.3	-70.7	168.1	0	0	0	108.9	F304 T311 I319 I334 M336 L372 L373	F304-I308 HydrophobicContact CE2-CG1 4.28Å; F304-I308 HydrophobicContact CZ-CG1 4.11Å; I308-T311 HydrophobicContact CB-CG2 3.87Å; I308-T311 HydrophobicContact CG2-CG2 3.7Å; I308-T311 PolarHBondContact O-N 2.92Å; I308-T311 PolarHBondContact O-OG1 3.2Å; I308-I319 HydrophobicContact CD1-CD1 4.03Å; I308-I319 HydrophobicContact CG2-CD1 3.94Å; I308-I334 HydrophobicContact CD1-CG2 4.21Å; I308-M336 HydrophobicContact CB-SD 4.26Å; I308-M336 HydrophobicContact CD1-CB 3.85Å; I308-M336 HydrophobicContact CD1-CE 4.5Å; I308-M336 HydrophobicContact CD1-CG 4.19Å; I308-M336 HydrophobicContact CD1-SD 3.6Å; I308-M336 VanDerWaalsContact CD1-SD 3.6Å; I308-M336 HydrophobicContact CG1-SD 3.51Å; I308-M336 VanDerWaalsContact CG1-SD 3.51Å; I308-L372 WeakPolarHBondContact CG2-O 3.28Å; I308-L373 HydrophobicContact CD1-CD2 3.55Å; I308-L373 HydrophobicContact CG1-CD2 3.83Å
309	P	97.2	Very high	97.4	Very high	59 Å²	59	31.6 Å²	31.6	38%	0.383	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	141.8	174.4	-29	34.3	0	0	0	113.4	T311 L372 L373	P309-T311 VanDerWaalsContact C-N 3.26Å; P309-T311 PolarHBondContact O-N 2.99Å; P309-L372 WeakPolarHBondContact CD-O 3.47Å; P309-L373 WeakPolarHBondContact CD-O 3.31Å
310	N	94.4	Very high	97.3	Very high	128 Å²	128	31.4 Å²	31.4	68%	0.684	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	18.4	178.3	-48	-68.9	0	0	0	115.6
311	T	95.3	Very high	97.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-104.7	30.9	171.8	69	0	0	0	0	112.5	Y109 V116 I308 P309 D313 S314 I319	Y109-T311 HydrophobicContact CD2-CG2 4.16Å; Y109-T311 HydrophobicContact CE2-CG2 3.99Å; Y109-T311 VanDerWaalsContact OH-C 3.28Å; Y109-T311 PolarHBondContact OH-O 2.96Å; V116-T311 HydrophobicContact CG1-CG2 4.44Å; I308-T311 HydrophobicContact CB-CG2 3.87Å; I308-T311 HydrophobicContact CG2-CG2 3.7Å; I308-T311 PolarHBondContact O-N 2.92Å; I308-T311 PolarHBondContact O-OG1 3.2Å; P309-T311 VanDerWaalsContact C-N 3.26Å; P309-T311 PolarHBondContact O-N 2.99Å; T311-D313 PolarHBondContact O-N 3.38Å; T311-S314 VanDerWaalsContact O-CB 3.23Å; T311-S314 WeakPolarHBondContact O-CB 3.46Å; T311-S314 PolarHBondContact O-N 3.41Å; T311-S314 PolarHBondContact O-OG 3.12Å; T311-I319 HydrophobicContact CG2-CD1 4.16Å
312	T	92.9	Very high	97.1	Very high	126 Å²	126	31.4 Å²	31.4	77%	0.773	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	39.2	179.1	-37.3	0	0	0	0	112.9	S314	T312-S314 PolarHBondContact O-N 2.94Å; T312-S314 VanDerWaalsContact O-N 3.08Å
313	D	95.2	Very high	96.9	Very high	113 Å²	113	32.2 Å²	32.2	60%	0.604	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	21	-175.3	-60.1	-43.9	0	0	0	116.2	P307 T311 K315	P307-D313 HydrophobicContact CG-CB 4.23Å; P307-D313 WeakPolarHBondContact CG-OD1 3.29Å; T311-D313 PolarHBondContact O-N 3.38Å; D313-K315 WeakPolarHBondContact O-CD 3.31Å; D313-K315 WeakPolarHBondContact O-CE 3.29Å; D313-K315 PolarHBondContact O-N 3.32Å; D313-K315 PolarHBondContact O-NZ 2.89Å
314	S	96.2	Very high	96.6	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.042	20%	0.198	C	C	.	.			trans	-45.8	132.1	176.9	-71.7	0	0	0	0	111.4	Y109 T311 T312 S316 M336	Y109-S314 PolarHBondContact OH-OG 2.7Å; T311-S314 VanDerWaalsContact O-CB 3.23Å; T311-S314 WeakPolarHBondContact O-CB 3.46Å; T311-S314 PolarHBondContact O-N 3.41Å; T311-S314 PolarHBondContact O-OG 3.12Å; T312-S314 PolarHBondContact O-N 2.94Å; T312-S314 VanDerWaalsContact O-N 3.08Å; S314-S316 VanDerWaalsContact C-N 3.35Å; S314-M336 WeakPolarHBondContact O-CE 3.36Å
315	K	97.6	Very high	96.4	Very high	61 Å²	61	40 Å²	40	27%	0.265	21%	0.208	S	C	.	.	S	Bend	trans	-86.1	-11.3	176.7	-55	-51.6	179.7	-152.8	0	113.1	E106 D313 S338 V340 Y349	E106-K315 WeakPolarHBondContact OE2-CB 3.39Å; E106-K315 PolarHBondContact OE2-N 3.29Å; D313-K315 WeakPolarHBondContact O-CD 3.31Å; D313-K315 WeakPolarHBondContact O-CE 3.29Å; D313-K315 PolarHBondContact O-N 3.32Å; D313-K315 PolarHBondContact O-NZ 2.89Å; K315-S338 VanDerWaalsContact O-CB 3.28Å; K315-S338 WeakPolarHBondContact O-CB 3.41Å; K315-S338 PolarHBondContact O-OG 3.03Å; K315-V340 HydrophobicContact CB-CB 4.26Å; K315-V340 HydrophobicContact CB-CG1 3.65Å; K315-V340 HydrophobicContact CB-CG2 3.59Å; K315-V340 HydrophobicContact CG-CG1 3.91Å; K315-Y349 HydrophobicContact CD-CE1 4.12Å; K315-Y349 WeakPolarHBondContact CD-OH 3.46Å; K315-Y349 WeakPolarHBondContact CE-OH 3.25Å; K315-Y349 PolarHBondContact NZ-OH 2.98Å
316	S	98	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-154.1	141.9	168.7	57	0	0	0	0	109.5	I105 E106 G107 S314 M336 N341	I105-S316 WeakPolarHBondContact CA-OG 3.35Å; E106-S316 WeakPolarHBondContact CB-O 3.43Å; E106-S316 PolarHBondContact N-O 3.2Å; E106-S316 VanDerWaalsContact N-O 3.13Å; E106-S316 PolarHBondContact N-OG 2.74Å; E106-S316 VanDerWaalsContact N-OG 3.07Å; G107-S316 PolarHBondContact N-O 3.39Å; S314-S316 VanDerWaalsContact C-N 3.35Å; S316-M336 CarbonylContact C-O 3.56Å; S316-M336 WeakPolarHBondContact CA-O 3.33Å; S316-M336 WeakPolarHBondContact CB-O 3.33Å; S316-N341 WeakPolarHBondContact CB-OD1 3.35Å
317	C	97.8	Very high	96.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	162.5	177.4	69.1	0	0	0	0	113.4	F80 G107 Y109 M336	F80-C317 WeakPolarHBondContact CE2-O 3.15Å; G107-C317 CarbonylContact O-C 3.57Å; G107-C317 WeakPolarHBondContact O-CA 3.47Å; G107-C317 WeakPolarHBondContact O-CB 3.29Å; Y109-C317 HydrophobicContact CD2-CB 3.78Å; Y109-C317 HydrophobicContact CE2-CB 3.58Å; C317-M336 PolarHBondContact N-O 2.92Å; C317-M336 PolarHBondContact O-N 2.79Å
318	Q	97.9	Very high	95.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.9	162.5	-166.7	-177.5	67.5	0	0	109.3	F80 G107 Y109 Y224 I320 I334 S408	F80-Q318 HydrophobicContact CD2-CB 3.89Å; F80-Q318 HydrophobicContact CD2-CG 4.16Å; F80-Q318 HydrophobicContact CE2-CB 3.76Å; F80-Q318 HydrophobicContact CE2-CG 4.23Å; G107-Q318 PolarHBondContact O-N 3.21Å; Y109-Q318 PolarHBondContact N-O 2.97Å; Y224-Q318 HydrophobicContact CD2-CB 4.37Å; Y224-Q318 HydrophobicContact CE2-CB 4.28Å; Y224-Q318 PolarHBondContact OH-OE1 2.86Å; Y224-Q318 VanDerWaalsContact OH-OE1 3.06Å; Q318-I320 HydrophobicContact CG-CG1 4.44Å; Q318-I334 CarbonylContact C-O 3.04Å; Q318-I334 WeakPolarHBondContact CA-O 3.49Å; Q318-S408 VanDerWaalsContact CG-OG 3.31Å; Q318-S408 WeakPolarHBondContact CG-OG 3.45Å; Q318-S408 PolarHBondContact NE2-O 3.42Å; Q318-S408 PolarHBondContact NE2-OG 2.59Å
319	I	97.9	Very high	95.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.2	168.7	-43	179.8	0	0	0	108.1	Y109 V116 I308 T311 I334 L372	Y109-I319 HydrophobicContact CD2-CG1 4.44Å; Y109-I319 WeakPolarHBondContact O-CA 3.45Å; V116-I319 HydrophobicContact CG1-CD1 4.18Å; V116-I319 HydrophobicContact CG1-CG2 4.07Å; V116-I319 HydrophobicContact CG2-CD1 4.38Å; V116-I319 HydrophobicContact CG2-CG2 4.25Å; I308-I319 HydrophobicContact CD1-CD1 4.03Å; I308-I319 HydrophobicContact CG2-CD1 3.94Å; T311-I319 HydrophobicContact CG2-CD1 4.16Å; I319-I334 HydrophobicContact CB-CB 4Å; I319-I334 HydrophobicContact CB-CD1 4.26Å; I319-I334 HydrophobicContact CB-CG1 4.37Å; I319-I334 HydrophobicContact CD1-CD1 4.37Å; I319-I334 HydrophobicContact CG1-CB 4.41Å; I319-I334 PolarHBondContact N-O 2.66Å; I319-I334 PolarHBondContact O-N 3.06Å; I319-L372 HydrophobicContact CG2-CD1 4.44Å
320	I	97.6	Very high	95.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	133	171.1	-57.8	-173	0	0	0	108.5	Y109 V110 Y111 H187 L191 Q318 P322 D331 Y333	Y109-I320 PolarHBondContact O-N 3.34Å; V110-I320 CarbonylContact C-O 3.58Å; V110-I320 WeakPolarHBondContact CA-O 3.34Å; Y111-I320 PolarHBondContact N-O 2.94Å; H187-I320 HydrophobicContact CB-CG2 4.49Å; H187-I320 WeakPolarHBondContact O-CD1 3.49Å; L191-I320 HydrophobicContact CD2-CD1 3.96Å; Q318-I320 HydrophobicContact CG-CG1 4.44Å; I320-P322 WeakPolarHBondContact O-CD 3.42Å; I320-D331 HydrophobicContact CG2-CB 4.36Å; I320-Y333 HydrophobicContact CD1-CD1 4.3Å; I320-Y333 HydrophobicContact CD1-CE1 4.21Å; I320-Y333 HydrophobicContact CG1-CD1 4.1Å; I320-Y333 HydrophobicContact CG1-CE1 4.4Å; I320-Y333 HydrophobicContact CG2-CD1 4.44Å; I320-Y333 HydrophobicContact CG2-CE1 4.25Å
321	I	97	Very high	95.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	100.6	171.5	-51	-176.2	0	0	0	107.4	Y111 Q323 V326 D331 I332 I334 P368 L372	Y111-I321 HydrophobicContact CD1-CG2 3.7Å; Y111-I321 HydrophobicContact CE1-CG2 4.27Å; Y111-I321 HydrophobicContact CG-CG1 4.27Å; Y111-I321 HydrophobicContact CG-CG2 4.02Å; I321-Q323 PolarHBondContact O-N 3.31Å; I321-V326 HydrophobicContact CG2-CG1 3.67Å; I321-V326 HydrophobicContact CG2-CG2 4.1Å; I321-D331 WeakPolarHBondContact O-CA 3.43Å; I321-D331 WeakPolarHBondContact O-CB 3.26Å; I321-I332 HydrophobicContact CB-CB 4.01Å; I321-I332 HydrophobicContact CD1-CB 4.19Å; I321-I332 HydrophobicContact CD1-CG2 4.33Å; I321-I332 HydrophobicContact CG1-CB 4.35Å; I321-I332 PolarHBondContact N-O 3.44Å; I321-I332 PolarHBondContact O-N 2.73Å; I321-I334 HydrophobicContact CD1-CD1 4.38Å; I321-P368 HydrophobicContact CD1-CB 4.33Å; I321-L372 HydrophobicContact CD1-CD1 3.84Å; I321-L372 HydrophobicContact CG1-CD1 4.36Å
322	P	95.8	Very high	95.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.207	C	C	.	.			trans	-59.6	137.4	178.4	-25.2	35.4	0	0	0	111.4	V110 D183 H187 I320 R324 Q325 D331	V110-P322 HydrophobicContact CG2-CG 3.71Å; D183-P322 WeakPolarHBondContact OD2-CB 3.46Å; H187-P322 HydrophobicContact CB-CG 4.41Å; I320-P322 WeakPolarHBondContact O-CD 3.42Å; P322-R324 PolarHBondContact O-N 2.67Å; P322-R324 VanDerWaalsContact O-N 3.08Å; P322-Q325 HydrophobicContact CB-CG 4.2Å; P322-Q325 HydrophobicContact CG-CG 4.45Å; P322-Q325 WeakPolarHBondContact O-CB 3.34Å; P322-Q325 PolarHBondContact O-N 3Å; P322-D331 VanDerWaalsContact CA-OD1 3.29Å; P322-D331 WeakPolarHBondContact CA-OD1 3.47Å
323	Q	94.5	Very high	96	Very high	17 Å²	17	34.6 Å²	34.6	8%	0.079	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-51.7	-36.2	-174.1	67.2	-171	43	0	0	113.8	L193 I321 Q325 V326 N327 R328 T329 D331	L193-Q323 PolarHBondContact O-OE1 3.12Å; I321-Q323 PolarHBondContact O-N 3.31Å; Q323-Q325 VanDerWaalsContact C-N 3.28Å; Q323-Q325 PolarHBondContact O-N 3.33Å; Q323-V326 PolarHBondContact O-N 3.01Å; Q323-N327 PolarHBondContact O-N 2.98Å; Q323-N327 VanDerWaalsContact O-N 3.15Å; Q323-R328 HydrophobicContact CB-CB 4.32Å; Q323-R328 WeakPolarHBondContact CB-O 3.36Å; Q323-R328 PolarHBondContact O-N 2.95Å; Q323-T329 VanDerWaalsContact CD-O 3.31Å; Q323-T329 PolarHBondContact NE2-O 3.4Å; Q323-T329 PolarHBondContact OE1-O 3.38Å; Q323-D331 WeakPolarHBondContact CB-OD1 3.46Å; Q323-D331 PolarHBondContact N-OD1 3.38Å
324	R	92.8	Very high	96.2	Very high	117 Å²	117	29.2 Å²	29.2	44%	0.442	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-67.5	-25.8	179.2	-71.5	-174	69.3	170.3	-6.6	113.2	D179 P322 V326	D179-R324 IonicContact OD2-CZ 3.84Å; D179-R324 IonicContact OD2-NH1 3.87Å; D179-R324 PolarHBondContact OD2-NH1 3.43Å; D179-R324 VanDerWaalsContact OD2-NH1 3.16Å; D179-R324 IonicContact OD2-NH2 2.91Å; D179-R324 PolarHBondContact OD2-NH2 3.4Å; P322-R324 PolarHBondContact O-N 2.67Å; P322-R324 VanDerWaalsContact O-N 3.08Å; R324-V326 PolarHBondContact O-N 3.44Å
325	Q	94.5	Very high	96.3	Very high	46 Å²	46	29.2 Å²	29.2	22%	0.215	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-74	-14.7	179.6	-58.3	-63.5	-50.4	0	0	112.8	Y111 G113 N180 P322 Q323	Y111-Q325 HydrophobicContact CD1-CB 3.72Å; Y111-Q325 HydrophobicContact CD1-CG 4.22Å; Y111-Q325 HydrophobicContact CE1-CB 3.79Å; G113-Q325 VanDerWaalsContact N-OE1 3.13Å; N180-Q325 PolarHBondContact OD1-NE2 3.07Å; P322-Q325 HydrophobicContact CB-CG 4.2Å; P322-Q325 HydrophobicContact CG-CG 4.45Å; P322-Q325 WeakPolarHBondContact O-CB 3.34Å; P322-Q325 PolarHBondContact O-N 3Å; Q323-Q325 VanDerWaalsContact C-N 3.28Å; Q323-Q325 PolarHBondContact O-N 3.33Å
326	V	95.1	Very high	96.3	Very high	28 Å²	28	26.3 Å²	26.3	17%	0.17	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-132.7	16.6	-174.5	-67	0	0	0	0	113	Y111 I321 Q323 R324 R328 I332 P368	Y111-V326 HydrophobicContact CE1-CG1 4.31Å; I321-V326 HydrophobicContact CG2-CG1 3.67Å; I321-V326 HydrophobicContact CG2-CG2 4.1Å; Q323-V326 PolarHBondContact O-N 3.01Å; R324-V326 PolarHBondContact O-N 3.44Å; V326-R328 VanDerWaalsContact C-N 3.34Å; V326-R328 HydrophobicContact CG2-CB 4.19Å; V326-R328 HydrophobicContact CG2-CG 3.94Å; V326-R328 PolarHBondContact O-N 3.48Å; V326-I332 HydrophobicContact CG2-CD1 4.27Å; V326-P368 HydrophobicContact CB-CG 4.23Å; V326-P368 HydrophobicContact CG1-CB 3.66Å; V326-P368 HydrophobicContact CG1-CG 3.79Å
327	N	94	Very high	96.4	Very high	159 Å²	159	26.7 Å²	26.7	85%	0.85	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	43.4	179.5	-59.8	-42.6	0	0	0	114	Q323	Q323-N327 PolarHBondContact O-N 2.98Å; Q323-N327 VanDerWaalsContact O-N 3.15Å
328	R	94.3	Very high	96.4	Very high	30 Å²	30	26.7 Å²	26.7	11%	0.113	13%	0.132	C	C	.	.			trans	-115.2	172.6	178.3	-68.3	-179.7	58.2	76	-14.5	111.7	Q323 V326 H330 T355 T356 E358 E365	Q323-R328 HydrophobicContact CB-CB 4.32Å; Q323-R328 WeakPolarHBondContact CB-O 3.36Å; Q323-R328 PolarHBondContact O-N 2.95Å; V326-R328 VanDerWaalsContact C-N 3.34Å; V326-R328 HydrophobicContact CG2-CB 4.19Å; V326-R328 HydrophobicContact CG2-CG 3.94Å; V326-R328 PolarHBondContact O-N 3.48Å; R328-H330 WeakPolarHBondContact CB-O 3.47Å; R328-H330 PolarHBondContact NE-O 3.06Å; R328-T355 PolarHBondContact NH2-OG1 3.34Å; R328-T356 PolarHBondContact NH2-O 3.22Å; R328-E358 WeakPolarHBondContact CB-OE2 3.29Å; R328-E358 IonicContact CZ-OE2 2.62Å; R328-E358 IonicContact NE-OE2 2.79Å; R328-E358 IonicContact NH1-OE2 3.89Å; R328-E358 PolarHBondContact NH1-OE2 3.31Å; R328-E358 IonicContact NH2-OE2 2.65Å; R328-E365 IonicContact CZ-OE1 2.74Å; R328-E365 VanDerWaalsContact NH1-CD 3.26Å; R328-E365 IonicContact NH1-OE1 2.66Å; R328-E365 PolarHBondContact NH1-OE1 2.93Å; R328-E365 IonicContact NH2-OE1 3.14Å; R328-E365 IonicContact NH2-OE2 3.39Å
329	T	93.2	Very high	96.4	Very high	86 Å²	86	29.5 Å²	29.5	53%	0.528	15%	0.145	S	C	.	.	S	Bend	trans	-104.1	-7	171.9	64.4	0	0	0	0	114.1	Q323 E358	Q323-T329 VanDerWaalsContact CD-O 3.31Å; Q323-T329 PolarHBondContact NE2-O 3.4Å; Q323-T329 PolarHBondContact OE1-O 3.38Å; T329-E358 VanDerWaalsContact C-OE1 3.25Å; T329-E358 WeakPolarHBondContact CA-OE1 3.32Å; T329-E358 WeakPolarHBondContact CB-OE1 3.33Å; T329-E358 PolarHBondContact N-OE1 3.24Å; T329-E358 PolarHBondContact N-OE2 3.01Å; T329-E358 VanDerWaalsContact OG1-CD 3.3Å; T329-E358 PolarHBondContact OG1-OE1 2.76Å
330	H	94.9	Very high	96.3	Very high	54 Å²	54	30.6 Å²	30.6	25%	0.25	15%	0.152	C	C	.	.	S	Bend	trans	-134.1	147.6	172.9	-58.7	85.5	0	0	0	110.9	R328 E358	R328-H330 WeakPolarHBondContact CB-O 3.47Å; R328-H330 PolarHBondContact NE-O 3.06Å; H330-E358 IonicContact CG-OE1 3.21Å; H330-E358 PolarHBondContact N-OE1 3.28Å; H330-E358 IonicContact ND1-OE1 2.74Å; H330-E358 PolarHBondContact ND1-OE1 2.97Å
331	D	96.1	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.			trans	-66.2	161.7	176.4	-69.5	-3.7	0	0	0	112.7	H187 I320 I321 P322 Q323 Y333 T355	H187-D331 WeakPolarHBondContact CB-OD2 3.47Å; H187-D331 IonicContact CG-OD2 3.21Å; H187-D331 IonicContact ND1-OD1 2.8Å; H187-D331 IonicContact ND1-OD2 3.4Å; H187-D331 PolarHBondContact ND1-OD2 2.9Å; I320-D331 HydrophobicContact CG2-CB 4.36Å; I321-D331 WeakPolarHBondContact O-CA 3.43Å; I321-D331 WeakPolarHBondContact O-CB 3.26Å; P322-D331 VanDerWaalsContact CA-OD1 3.29Å; P322-D331 WeakPolarHBondContact CA-OD1 3.47Å; Q323-D331 WeakPolarHBondContact CB-OD1 3.46Å; Q323-D331 PolarHBondContact N-OD1 3.38Å; D331-Y333 HydrophobicContact CB-CE1 4.19Å; D331-Y333 HydrophobicContact CB-CE2 3.97Å; D331-T355 WeakPolarHBondContact O-CB 3.33Å; D331-T355 PolarHBondContact O-OG1 3.37Å
332	I	97.8	Very high	96.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.4	166.3	-52.8	165.8	0	0	0	107.9	I321 V326 V353 S354 T355 E365 P368	I321-I332 HydrophobicContact CB-CB 4.01Å; I321-I332 HydrophobicContact CD1-CB 4.19Å; I321-I332 HydrophobicContact CD1-CG2 4.33Å; I321-I332 HydrophobicContact CG1-CB 4.35Å; I321-I332 PolarHBondContact N-O 3.44Å; I321-I332 PolarHBondContact O-N 2.73Å; V326-I332 HydrophobicContact CG2-CD1 4.27Å; I332-V353 HydrophobicContact CG2-CG1 3.56Å; I332-S354 WeakPolarHBondContact CA-O 3.35Å; I332-T355 HydrophobicContact CG1-CG2 4.38Å; I332-E365 VanDerWaalsContact CD1-O 3.24Å; I332-E365 WeakPolarHBondContact CD1-O 3.36Å; I332-P368 HydrophobicContact CD1-CB 4.06Å; I332-P368 HydrophobicContact CD1-CG 3.98Å
333	Y	98.4	Very high	96.4	Very high	8 Å²	8	34.7 Å²	34.7	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.5	-178.7	-56.4	-84.3	0	0	0	110	L193 I320 D331 V353 S354 A406 T407	L193-Y333 WeakPolarHBondContact CD2-OH 3.11Å; I320-Y333 HydrophobicContact CD1-CD1 4.3Å; I320-Y333 HydrophobicContact CD1-CE1 4.21Å; I320-Y333 HydrophobicContact CG1-CD1 4.1Å; I320-Y333 HydrophobicContact CG1-CE1 4.4Å; I320-Y333 HydrophobicContact CG2-CD1 4.44Å; I320-Y333 HydrophobicContact CG2-CE1 4.25Å; D331-Y333 HydrophobicContact CB-CE1 4.19Å; D331-Y333 HydrophobicContact CB-CE2 3.97Å; Y333-V353 CarbonylContact O-C 3.54Å; Y333-V353 WeakPolarHBondContact O-CA 3.45Å; Y333-S354 PolarHBondContact N-O 3.4Å; Y333-S354 PolarHBondContact O-N 3.46Å; Y333-A406 HydrophobicContact CD2-CB 4.02Å; Y333-A406 WeakPolarHBondContact CD2-O 3.44Å; Y333-A406 HydrophobicContact CE2-CB 4.25Å; Y333-T407 HydrophobicContact CE1-CG2 4.3Å; Y333-T407 HydrophobicContact CE2-CG2 4.08Å
334	I	98.6	Very high	96.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.9	170.7	-48.3	179.1	0	0	0	107.9	I308 Q318 I319 I321 A351 I352 V353 L372 L373	I308-I334 HydrophobicContact CD1-CG2 4.21Å; Q318-I334 CarbonylContact C-O 3.04Å; Q318-I334 WeakPolarHBondContact CA-O 3.49Å; I319-I334 HydrophobicContact CB-CB 4Å; I319-I334 HydrophobicContact CB-CD1 4.26Å; I319-I334 HydrophobicContact CB-CG1 4.37Å; I319-I334 HydrophobicContact CD1-CD1 4.37Å; I319-I334 HydrophobicContact CG1-CB 4.41Å; I319-I334 PolarHBondContact N-O 2.66Å; I319-I334 PolarHBondContact O-N 3.06Å; I321-I334 HydrophobicContact CD1-CD1 4.38Å; I334-A351 HydrophobicContact CG2-CB 4.39Å; I334-I352 VanDerWaalsContact CA-O 3.3Å; I334-I352 WeakPolarHBondContact CA-O 3.44Å; I334-V353 HydrophobicContact CG1-CG1 4.23Å; I334-V353 HydrophobicContact CG1-CG2 4.26Å; I334-V353 HydrophobicContact CG2-CG2 4.45Å; I334-L372 HydrophobicContact CD1-CB 4.38Å; I334-L372 HydrophobicContact CD1-CD1 3.94Å; I334-L373 HydrophobicContact CD1-CD2 4.49Å; I334-L373 HydrophobicContact CG2-CD2 3.93Å
335	S	98.5	Very high	96.8	Very high	5 Å²	5	28.9 Å²	28.9	4%	0.035	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	143.3	161.8	60.3	0	0	0	0	108.8	P78 A351 I352	P78-S335 WeakPolarHBondContact CB-OG 3.31Å; P78-S335 WeakPolarHBondContact CG-OG 3.4Å; S335-A351 CarbonylContact O-C 3.6Å; S335-A351 WeakPolarHBondContact O-CA 3.47Å; S335-A351 VanDerWaalsContact O-CB 3.31Å; S335-A351 WeakPolarHBondContact O-CB 3.38Å; S335-I352 PolarHBondContact N-O 2.91Å; S335-I352 VanDerWaalsContact N-O 3.09Å; S335-I352 PolarHBondContact O-N 3.35Å
336	M	98.6	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.5	170.7	-177.1	-169	71.8	0	0	110	F304 I308 S314 S316 C317 Y349 V350 A351	F304-M336 HydrophobicContact CE2-SD 3.99Å; F304-M336 HydrophobicContact CZ-CG 4.21Å; F304-M336 HydrophobicContact CZ-SD 3.94Å; I308-M336 HydrophobicContact CB-SD 4.26Å; I308-M336 HydrophobicContact CD1-CB 3.85Å; I308-M336 HydrophobicContact CD1-CE 4.5Å; I308-M336 HydrophobicContact CD1-CG 4.19Å; I308-M336 HydrophobicContact CD1-SD 3.6Å; I308-M336 VanDerWaalsContact CD1-SD 3.6Å; I308-M336 HydrophobicContact CG1-SD 3.51Å; I308-M336 VanDerWaalsContact CG1-SD 3.51Å; S314-M336 WeakPolarHBondContact O-CE 3.36Å; S316-M336 CarbonylContact C-O 3.56Å; S316-M336 WeakPolarHBondContact CA-O 3.33Å; S316-M336 WeakPolarHBondContact CB-O 3.33Å; C317-M336 PolarHBondContact N-O 2.92Å; C317-M336 PolarHBondContact O-N 2.79Å; M336-Y349 HydrophobicContact CE-CD1 3.97Å; M336-Y349 HydrophobicContact CE-CE1 4.13Å; M336-Y349 HydrophobicContact CG-CD1 4.17Å; M336-Y349 HydrophobicContact SD-CD1 3.62Å; M336-Y349 HydrophobicContact SD-CE1 4.27Å; M336-Y349 HydrophobicContact SD-CG 4.39Å; M336-V350 VanDerWaalsContact CA-O 3.31Å; M336-V350 WeakPolarHBondContact CA-O 3.48Å; M336-A351 HydrophobicContact CB-CB 4.03Å; M336-A351 HydrophobicContact CG-CB 4.18Å
337	V	98.5	Very high	97	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	163.8	175.9	-71.9	0	0	0	0	109.4	F80 I105 Y226 N341 V343 Y349 V350	F80-V337 HydrophobicContact CE1-CG1 3.91Å; F80-V337 HydrophobicContact CZ-CG1 4.2Å; I105-V337 HydrophobicContact CD1-CG1 4.36Å; Y226-V337 HydrophobicContact CD1-CG1 4.07Å; Y226-V337 HydrophobicContact CE1-CB 4.48Å; Y226-V337 HydrophobicContact CE1-CG1 3.94Å; Y226-V337 HydrophobicContact CG-CG1 4.39Å; V337-N341 HydrophobicContact CB-CB 4.32Å; V337-V343 HydrophobicContact CB-CG2 3.75Å; V337-V343 HydrophobicContact CG2-CG2 3.52Å; V337-Y349 WeakPolarHBondContact O-CA 3.32Å; V337-V350 HydrophobicContact CG2-CB 4.25Å; V337-V350 PolarHBondContact N-O 2.88Å; V337-V350 PolarHBondContact O-N 3.08Å
338	S	98.3	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	-169.4	-175.4	69.7	0	0	0	0	112.3	K315 V340 N341 V343 W348	K315-S338 VanDerWaalsContact O-CB 3.28Å; K315-S338 WeakPolarHBondContact O-CB 3.41Å; K315-S338 PolarHBondContact O-OG 3.03Å; S338-V340 PolarHBondContact O-N 2.89Å; S338-V340 PolarHBondContact OG-N 3.05Å; S338-N341 PolarHBondContact N-OD1 2.8Å; S338-N341 WeakPolarHBondContact O-CA 2.99Å; S338-N341 WeakPolarHBondContact O-CB 3.42Å; S338-N341 PolarHBondContact O-N 3.13Å; S338-V343 WeakPolarHBondContact O-CG2 3.08Å; S338-W348 VanDerWaalsContact CB-O 3.26Å; S338-W348 WeakPolarHBondContact CB-O 3.34Å
339	H	97	Very high	97.5	Very high	59 Å²	59	28 Å²	28	27%	0.273	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-49.9	-26.8	173	77.2	-74	0	0	0	114.9	N341 M342 A344	H339-N341 PolarHBondContact O-N 3.43Å; H339-M342 PolarHBondContact O-N 3.02Å; H339-A344 WeakPolarHBondContact CA-O 3.35Å; H339-A344 WeakPolarHBondContact CB-O 3.1Å
340	V	96.8	Very high	97.7	Very high	24 Å²	24	24.2 Å²	24.2	15%	0.145	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-66.4	-22.3	176.8	-52.9	0	0	0	0	112.3	K103 K315 S338	K103-V340 HydrophobicContact CD-CG2 4.46Å; K103-V340 WeakPolarHBondContact CD-O 3.37Å; K103-V340 VanDerWaalsContact CE-O 3.29Å; K103-V340 WeakPolarHBondContact CE-O 3.39Å; K103-V340 PolarHBondContact NZ-O 3.22Å; K315-V340 HydrophobicContact CB-CB 4.26Å; K315-V340 HydrophobicContact CB-CG1 3.65Å; K315-V340 HydrophobicContact CB-CG2 3.59Å; K315-V340 HydrophobicContact CG-CG1 3.91Å; S338-V340 PolarHBondContact O-N 2.89Å; S338-V340 PolarHBondContact OG-N 3.05Å
341	N	97.4	Very high	97.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-96.7	2.9	174.3	-55.4	94.5	0	0	0	112.3	Y226 Y229 S316 V337 S338 H339 V343	Y226-N341 HydrophobicContact CD1-CB 4.21Å; Y226-N341 HydrophobicContact CE1-CB 4.31Å; Y229-N341 PolarHBondContact N-O 2.74Å; S316-N341 WeakPolarHBondContact CB-OD1 3.35Å; V337-N341 HydrophobicContact CB-CB 4.32Å; S338-N341 PolarHBondContact N-OD1 2.8Å; S338-N341 WeakPolarHBondContact O-CA 2.99Å; S338-N341 WeakPolarHBondContact O-CB 3.42Å; S338-N341 PolarHBondContact O-N 3.13Å; H339-N341 PolarHBondContact O-N 3.43Å; N341-V343 VanDerWaalsContact C-N 3.31Å; N341-V343 HydrophobicContact CB-CG1 4.35Å; N341-V343 HydrophobicContact CB-CG2 4.05Å; N341-V343 PolarHBondContact O-N 3.01Å
342	M	97.2	Very high	98	Very high	87 Å²	87	21.8 Å²	21.8	43%	0.429	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	32.2	-176	-49.5	-61.3	-158.5	0	0	114.8	N73 L228 Y229 H339	N73-M342 PolarHBondContact ND2-O 3.01Å; L228-M342 HydrophobicContact CD2-CG 4.4Å; Y229-M342 HydrophobicContact CD1-CB 3.45Å; Y229-M342 VanDerWaalsContact CD1-CB 3.45Å; Y229-M342 HydrophobicContact CD1-CG 4.27Å; Y229-M342 HydrophobicContact CE1-CB 3.48Å; Y229-M342 VanDerWaalsContact CE1-CB 3.48Å; Y229-M342 HydrophobicContact CE1-CG 3.84Å; Y229-M342 HydrophobicContact CG-CB 4.08Å; H339-M342 PolarHBondContact O-N 3.02Å
343	V	97.5	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-114.6	-3.7	-178.4	-61.9	0	0	0	0	114.3	D71 W72 N73 Y226 V337 S338 N341	D71-V343 CarbonylContact O-C 3.48Å; W72-V343 WeakPolarHBondContact CA-O 3.21Å; N73-V343 HydrophobicContact CB-CB 4.42Å; N73-V343 HydrophobicContact CB-CG1 4.32Å; N73-V343 PolarHBondContact N-O 3.18Å; N73-V343 VanDerWaalsContact O-CB 3.32Å; N73-V343 WeakPolarHBondContact O-CB 3.49Å; Y226-V343 HydrophobicContact CE1-CG1 3.94Å; V337-V343 HydrophobicContact CB-CG2 3.75Å; V337-V343 HydrophobicContact CG2-CG2 3.52Å; S338-V343 WeakPolarHBondContact O-CG2 3.08Å; N341-V343 VanDerWaalsContact C-N 3.31Å; N341-V343 HydrophobicContact CB-CG1 4.35Å; N341-V343 HydrophobicContact CB-CG2 4.05Å; N341-V343 PolarHBondContact O-N 3.01Å
344	A	98.2	Very high	98.1	Very high	5 Å²	5	21.7 Å²	21.7	4%	0.041	11%	0.113	C	C	.	.	S	Bend	trans	-150.5	156.9	178	0	0	0	0	0	110.5	D71 W72 H339 W348 V350	D71-A344 CarbonylContact O-C 3.5Å; D71-A344 WeakPolarHBondContact O-CA 3.31Å; D71-A344 PolarHBondContact O-N 3.09Å; D71-A344 VanDerWaalsContact O-N 3.17Å; W72-A344 HydrophobicContact CD2-CB 4.24Å; W72-A344 HydrophobicContact CE3-CB 3.72Å; W72-A344 HydrophobicContact CH2-CB 4.27Å; W72-A344 HydrophobicContact CZ3-CB 3.73Å; H339-A344 WeakPolarHBondContact CA-O 3.35Å; H339-A344 WeakPolarHBondContact CB-O 3.1Å; A344-W348 HydrophobicContact CB-CB 4.07Å; A344-V350 HydrophobicContact CB-CG2 4.2Å
345	A	97.9	Very high	98.1	Very high	7 Å²	7	21.7 Å²	21.7	6%	0.058	11%	0.113	C	C	.	.			trans	-57.8	155	172.1	0	0	0	0	0	111.9	M66 D71 W72 G347 W348	M66-A345 VanDerWaalsContact O-CB 3.3Å; M66-A345 WeakPolarHBondContact O-CB 3.42Å; D71-A345 HydrophobicContact CB-CB 4.24Å; D71-A345 PolarHBondContact O-N 2.72Å; W72-A345 HydrophobicContact CZ2-CB 4.24Å; A345-G347 PolarHBondContact O-N 3.46Å; A345-W348 WeakPolarHBondContact O-CB 3.32Å; A345-W348 PolarHBondContact O-N 2.91Å
346	K	97.3	Very high	98	Very high	184 Å²	184	22.7 Å²	22.7	80%	0.8	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	129.1	179.9	-174.7	177.8	179.3	179.5	0	111.1	W348	K346-W348 VanDerWaalsContact C-N 3.3Å
347	G	97.3	Very high	98	Very high	35 Å²	35	23.9 Å²	23.9	36%	0.361	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-8.7	-177.2	0	0	0	0	0	114.5	N305 A345 Y349	N305-G347 CarbonylContact C-O 3.39Å; N305-G347 VanDerWaalsContact CA-O 3.24Å; N305-G347 WeakPolarHBondContact CA-O 3.23Å; A345-G347 PolarHBondContact O-N 3.46Å; G347-Y349 WeakPolarHBondContact O-CE2 3.44Å
348	W	98.4	Very high	97.9	Very high	18 Å²	18	26.6 Å²	26.6	7%	0.068	14%	0.139	C	C	.	.			trans	-101.4	154.9	178.6	-69.7	87.9	0	0	0	113.1	E65 M66 W72 N305 S338 A344 A345 K346 Y377	E65-W348 PolarHBondContact O-NE1 2.83Å; M66-W348 HydrophobicContact CB-CZ2 4.21Å; M66-W348 HydrophobicContact CE-CE3 4.41Å; M66-W348 HydrophobicContact CE-CH2 3.75Å; M66-W348 HydrophobicContact CE-CZ3 3.58Å; M66-W348 HydrophobicContact CG-CD2 4.5Å; M66-W348 HydrophobicContact CG-CE3 4.46Å; M66-W348 HydrophobicContact CG-CH2 3.52Å; M66-W348 HydrophobicContact CG-CZ2 3.56Å; M66-W348 HydrophobicContact CG-CZ3 3.99Å; W72-W348 HydrophobicContact CH2-CB 3.43Å; W72-W348 VanDerWaalsContact CH2-CB 3.43Å; W72-W348 AromaticContact CH2-CD2 3.72Å; W72-W348 HydrophobicContact CH2-CD2 3.72Å; W72-W348 AromaticContact CH2-CE3 3.68Å; W72-W348 HydrophobicContact CH2-CE3 3.68Å; W72-W348 AromaticContact CH2-CG 3.66Å; W72-W348 HydrophobicContact CH2-CG 3.66Å; W72-W348 HydrophobicContact CZ2-CB 3.69Å; W72-W348 AromaticContact CZ2-CD2 3.77Å; W72-W348 HydrophobicContact CZ2-CD2 3.77Å; W72-W348 HydrophobicContact CZ2-CE3 4.14Å; W72-W348 AromaticContact CZ2-CG 3.58Å; W72-W348 HydrophobicContact CZ2-CG 3.58Å; W72-W348 HydrophobicContact CZ3-CB 4.24Å; N305-W348 HydrophobicContact CB-CD2 4.3Å; N305-W348 HydrophobicContact CB-CE3 4.28Å; N305-W348 HydrophobicContact CB-CZ3 4.48Å; S338-W348 VanDerWaalsContact CB-O 3.26Å; S338-W348 WeakPolarHBondContact CB-O 3.34Å; A344-W348 HydrophobicContact CB-CB 4.07Å; A345-W348 WeakPolarHBondContact O-CB 3.32Å; A345-W348 PolarHBondContact O-N 2.91Å; K346-W348 VanDerWaalsContact C-N 3.3Å; W348-Y377 HydrophobicContact CH2-CD1 4.06Å; W348-Y377 AromaticContact CH2-CD2 3.91Å; W348-Y377 HydrophobicContact CH2-CD2 3.91Å; W348-Y377 HydrophobicContact CH2-CE1 4.27Å; W348-Y377 HydrophobicContact CH2-CE2 4.12Å; W348-Y377 AromaticContact CH2-CG 3.85Å; W348-Y377 HydrophobicContact CH2-CG 3.85Å; W348-Y377 HydrophobicContact CZ3-CD1 4.15Å; W348-Y377 HydrophobicContact CZ3-CD2 4.35Å; W348-Y377 AromaticContact CZ3-CG 3.91Å; W348-Y377 HydrophobicContact CZ3-CG 3.91Å
349	Y	98.6	Very high	97.9	Very high	8 Å²	8	29.9 Å²	29.9	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.3	-175.6	-63.3	-104.6	0	0	0	109.4	L303 F304 H306 P307 K315 M336 V337 G347	L303-Y349 WeakPolarHBondContact CA-O 3.36Å; F304-Y349 HydrophobicContact CD2-CG 4.44Å; F304-Y349 HydrophobicContact CE2-CG 4.16Å; F304-Y349 PolarHBondContact N-O 3.34Å; F304-Y349 PolarHBondContact O-N 3.36Å; H306-Y349 VanDerWaalsContact O-CD2 3.27Å; H306-Y349 WeakPolarHBondContact O-CD2 3.3Å; P307-Y349 HydrophobicContact CB-CE1 4.24Å; K315-Y349 HydrophobicContact CD-CE1 4.12Å; K315-Y349 WeakPolarHBondContact CD-OH 3.46Å; K315-Y349 WeakPolarHBondContact CE-OH 3.25Å; K315-Y349 PolarHBondContact NZ-OH 2.98Å; M336-Y349 HydrophobicContact CE-CD1 3.97Å; M336-Y349 HydrophobicContact CE-CE1 4.13Å; M336-Y349 HydrophobicContact CG-CD1 4.17Å; M336-Y349 HydrophobicContact SD-CD1 3.62Å; M336-Y349 HydrophobicContact SD-CE1 4.27Å; M336-Y349 HydrophobicContact SD-CG 4.39Å; V337-Y349 WeakPolarHBondContact O-CA 3.32Å; G347-Y349 WeakPolarHBondContact O-CE2 3.44Å
350	V	98.7	Very high	97.9	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.036	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.7	170.6	-177.6	0	0	0	0	106	W72 V74 I301 L303 M336 V337 A344	W72-V350 HydrophobicContact CE3-CG2 4.05Å; W72-V350 HydrophobicContact CZ3-CG2 3.84Å; V74-V350 HydrophobicContact CG1-CG1 4.1Å; V74-V350 HydrophobicContact CG2-CG2 4.16Å; I301-V350 HydrophobicContact CG2-CG1 4.11Å; L303-V350 HydrophobicContact CD2-CB 4.4Å; L303-V350 HydrophobicContact CD2-CG1 4.2Å; L303-V350 HydrophobicContact CD2-CG2 3.95Å; M336-V350 VanDerWaalsContact CA-O 3.31Å; M336-V350 WeakPolarHBondContact CA-O 3.48Å; V337-V350 HydrophobicContact CG2-CB 4.25Å; V337-V350 PolarHBondContact N-O 2.88Å; V337-V350 PolarHBondContact O-N 3.08Å; A344-V350 HydrophobicContact CB-CG2 4.2Å
351	A	98.7	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.2	166.2	0	0	0	0	0	111.4	C302 F304 I334 S335 M336 L373	C302-A351 PolarHBondContact N-O 2.91Å; C302-A351 PolarHBondContact O-N 3.47Å; F304-A351 HydrophobicContact CE1-CB 3.53Å; F304-A351 HydrophobicContact CZ-CB 3.67Å; I334-A351 HydrophobicContact CG2-CB 4.39Å; S335-A351 CarbonylContact O-C 3.6Å; S335-A351 WeakPolarHBondContact O-CA 3.47Å; S335-A351 VanDerWaalsContact O-CB 3.31Å; S335-A351 WeakPolarHBondContact O-CB 3.38Å; M336-A351 HydrophobicContact CB-CB 4.03Å; M336-A351 HydrophobicContact CG-CB 4.18Å; A351-L373 HydrophobicContact CB-CD1 4.31Å; A351-L373 HydrophobicContact CB-CD2 3.99Å
352	I	98.7	Very high	97.9	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.2	175.5	-59.9	-173.6	0	0	0	107.7	D75 P78 R299 A300 I301 I334 S335	D75-I352 WeakPolarHBondContact O-CD1 3.41Å; P78-I352 HydrophobicContact CB-CD1 4.35Å; P78-I352 HydrophobicContact CG-CB 3.66Å; P78-I352 HydrophobicContact CG-CD1 3.47Å; P78-I352 VanDerWaalsContact CG-CD1 3.47Å; P78-I352 HydrophobicContact CG-CG1 3.88Å; P78-I352 HydrophobicContact CG-CG2 4.05Å; R299-I352 HydrophobicContact CB-CG2 4.32Å; A300-I352 WeakPolarHBondContact O-CA 3.43Å; I301-I352 HydrophobicContact CB-CG1 4.34Å; I301-I352 HydrophobicContact CD1-CD1 4.27Å; I301-I352 HydrophobicContact CG1-CD1 3.8Å; I301-I352 HydrophobicContact CG1-CG1 4.02Å; I301-I352 HydrophobicContact CG2-CD1 4.36Å; I301-I352 HydrophobicContact CG2-CG1 4.27Å; I334-I352 VanDerWaalsContact CA-O 3.3Å; I334-I352 WeakPolarHBondContact CA-O 3.44Å; S335-I352 PolarHBondContact N-O 2.91Å; S335-I352 VanDerWaalsContact N-O 3.09Å; S335-I352 PolarHBondContact O-N 3.35Å
353	V	98.8	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.5	173.2	-168	0	0	0	0	107.9	R299 A300 I332 Y333 I334 L366 L370 L373	R299-V353 CarbonylContact C-O 3.57Å; R299-V353 WeakPolarHBondContact CA-O 3.49Å; A300-V353 PolarHBondContact N-O 3.05Å; A300-V353 PolarHBondContact O-N 2.71Å; I332-V353 HydrophobicContact CG2-CG1 3.56Å; Y333-V353 CarbonylContact O-C 3.54Å; Y333-V353 WeakPolarHBondContact O-CA 3.45Å; I334-V353 HydrophobicContact CG1-CG1 4.23Å; I334-V353 HydrophobicContact CG1-CG2 4.26Å; I334-V353 HydrophobicContact CG2-CG2 4.45Å; V353-L366 HydrophobicContact CB-CD2 4.39Å; V353-L366 HydrophobicContact CG1-CB 4.34Å; V353-L366 HydrophobicContact CG1-CD2 3.88Å; V353-L370 HydrophobicContact CB-CD2 4.39Å; V353-L370 HydrophobicContact CG2-CD2 3.93Å; V353-L373 HydrophobicContact CG2-CD1 3.86Å; V353-L373 HydrophobicContact CG2-CG 4.42Å
354	S	98.6	Very high	97.9	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.035	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.6	-176.5	48.8	0	0	0	0	113.5	I298 I332 Y333 A406	I298-S354 VanDerWaalsContact O-CA 3.22Å; I298-S354 WeakPolarHBondContact O-CA 3.23Å; I298-S354 WeakPolarHBondContact O-CB 3.44Å; I332-S354 WeakPolarHBondContact CA-O 3.35Å; Y333-S354 PolarHBondContact N-O 3.4Å; Y333-S354 PolarHBondContact O-N 3.46Å; S354-A406 PolarHBondContact OG-O 3.3Å
355	T	98.1	Very high	97.9	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	160.7	174.8	-168.1	0	0	0	0	110.5	I298 R328 D331 I332 E365 L366	I298-T355 HydrophobicContact CG2-CG2 3.83Å; I298-T355 PolarHBondContact N-O 3.26Å; I298-T355 PolarHBondContact O-N 3.46Å; I298-T355 VanDerWaalsContact O-N 3.16Å; R328-T355 PolarHBondContact NH2-OG1 3.34Å; D331-T355 WeakPolarHBondContact O-CB 3.33Å; D331-T355 PolarHBondContact O-OG1 3.37Å; I332-T355 HydrophobicContact CG1-CG2 4.38Å; T355-E365 HydrophobicContact CG2-CB 4.13Å; T355-L366 HydrophobicContact CG2-CD2 3.81Å
356	T	97.6	Very high	98	Very high	26 Å²	26	43.7 Å²	43.7	16%	0.16	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	135.9	169.4	-58.1	0	0	0	0	109.4	R328 E358 L386	R328-T356 PolarHBondContact NH2-O 3.22Å; T356-E358 PolarHBondContact O-N 2.83Å; T356-L386 HydrophobicContact CG2-CD1 4.49Å
357	V	98.3	Very high	98	Very high	26 Å²	26	39.2 Å²	39.2	16%	0.158	22%	0.219	C	C	.	.			trans	-72.3	127.2	-179.8	178.9	0	0	0	0	110.6	Q296 I298 T359 P362 E365 I383	Q296-V357 HydrophobicContact CB-CB 3.99Å; Q296-V357 HydrophobicContact CB-CG2 3.82Å; Q296-V357 PolarHBondContact O-N 3.19Å; I298-V357 HydrophobicContact CB-CG2 4.05Å; I298-V357 HydrophobicContact CG2-CG2 4.11Å; V357-T359 WeakPolarHBondContact CG1-O 3.46Å; V357-P362 HydrophobicContact CG1-CB 3.99Å; V357-P362 HydrophobicContact CG1-CG 3.65Å; V357-P362 HydrophobicContact CG2-CB 3.98Å; V357-P362 HydrophobicContact CG2-CG 4.35Å; V357-E365 WeakPolarHBondContact CA-OE2 3.2Å; V357-I383 HydrophobicContact CG2-CG2 4.4Å
358	E	96.9	Very high	98	Very high	64 Å²	64	39 Å²	39	30%	0.299	21%	0.211	S	C	.	.			trans	-116	-15.6	178.8	-56	-179.3	156.7	0	0	112.9	R328 T329 H330 T356 E365	R328-E358 WeakPolarHBondContact CB-OE2 3.29Å; R328-E358 IonicContact CZ-OE2 2.62Å; R328-E358 IonicContact NE-OE2 2.79Å; R328-E358 IonicContact NH1-OE2 3.89Å; R328-E358 PolarHBondContact NH1-OE2 3.31Å; R328-E358 IonicContact NH2-OE2 2.65Å; T329-E358 VanDerWaalsContact C-OE1 3.25Å; T329-E358 WeakPolarHBondContact CA-OE1 3.32Å; T329-E358 WeakPolarHBondContact CB-OE1 3.33Å; T329-E358 PolarHBondContact N-OE1 3.24Å; T329-E358 PolarHBondContact N-OE2 3.01Å; T329-E358 VanDerWaalsContact OG1-CD 3.3Å; T329-E358 PolarHBondContact OG1-OE1 2.76Å; H330-E358 IonicContact CG-OE1 3.21Å; H330-E358 PolarHBondContact N-OE1 3.28Å; H330-E358 IonicContact ND1-OE1 2.74Å; H330-E358 PolarHBondContact ND1-OE1 2.97Å; T356-E358 PolarHBondContact O-N 2.83Å; E358-E365 WeakPolarHBondContact CA-OE1 3.25Å; E358-E365 WeakPolarHBondContact CB-OE1 3.47Å; E358-E365 PolarHBondContact N-OE1 2.77Å; E358-E365 PolarHBondContact N-OE2 2.82Å
359	T	97.3	Very high	98	Very high	69 Å²	69	38.1 Å²	38.1	42%	0.423	21%	0.208	S	C	.	.	S	Bend	trans	-134.9	173.4	-171.2	65.1	0	0	0	0	113	V357 K361 E365	V357-T359 WeakPolarHBondContact CG1-O 3.46Å; T359-K361 PolarHBondContact O-N 3.27Å; T359-K361 PolarHBondContact OG1-N 3.3Å; T359-E365 PolarHBondContact N-OE1 3.03Å; T359-E365 PolarHBondContact OG1-OE1 3.23Å
360	D	97.1	Very high	98	Very high	143 Å²	143	38.7 Å²	38.7	77%	0.765	21%	0.211	S	C	*	.	S	Bend	trans	-78.1	-0.2	174.4	68.1	-22.7	0	0	0	113.7	P362	D360-P362 VanDerWaalsContact C-CD 3.46Å; D360-P362 WeakPolarHBondContact O-CD 3.4Å
361	K	97.5	Very high	97.9	Very high	137 Å²	137	45 Å²	45	60%	0.596	24%	0.24	S	C	*	.			trans	-124.9	65.9	177.1	-65.3	177.4	-173.2	175.6	0	111.5	T359 E363 A364	T359-K361 PolarHBondContact O-N 3.27Å; T359-K361 PolarHBondContact OG1-N 3.3Å; K361-E363 VanDerWaalsContact C-N 3.31Å; K361-E363 PolarHBondContact O-N 2.63Å; K361-E363 VanDerWaalsContact O-N 3.17Å; K361-A364 HydrophobicContact CB-CB 4.23Å; K361-A364 WeakPolarHBondContact O-CB 3.23Å; K361-A364 PolarHBondContact O-N 3.27Å
362	P	97.6	Very high	97.9	Very high	24 Å²	24	46 Å²	46	16%	0.156	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-37.5	-167.9	-27.1	38.9	0	0	0	113.9	I298 V357 D360 A364 E365 I383	I298-P362 HydrophobicContact CB-CB 4.23Å; I298-P362 HydrophobicContact CD1-CB 3.8Å; I298-P362 WeakPolarHBondContact CD1-O 3.22Å; I298-P362 HydrophobicContact CG2-CB 4.37Å; V357-P362 HydrophobicContact CG1-CB 3.99Å; V357-P362 HydrophobicContact CG1-CG 3.65Å; V357-P362 HydrophobicContact CG2-CB 3.98Å; V357-P362 HydrophobicContact CG2-CG 4.35Å; D360-P362 VanDerWaalsContact C-CD 3.46Å; D360-P362 WeakPolarHBondContact O-CD 3.4Å; P362-A364 VanDerWaalsContact C-N 3.26Å; P362-A364 PolarHBondContact O-N 3.42Å; P362-E365 VanDerWaalsContact O-CB 3.25Å; P362-E365 WeakPolarHBondContact O-CB 3.39Å; P362-E365 WeakPolarHBondContact O-CG 3.49Å; P362-E365 PolarHBondContact O-N 2.8Å; P362-I383 HydrophobicContact CB-CD1 3.82Å; P362-I383 HydrophobicContact CB-CG1 4.44Å; P362-I383 HydrophobicContact CG-CD1 3.82Å
363	E	97.4	Very high	97.9	Very high	94 Å²	94	45.8 Å²	45.8	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-64.8	-30	180	-167.8	177.1	167.6	0	0	113.1	I298 K361 E365 L366 K379 V381	I298-E363 VanDerWaalsContact CD1-CA 3.41Å; I298-E363 HydrophobicContact CD1-CB 4.05Å; I298-E363 VanDerWaalsContact CD1-N 3.34Å; K361-E363 VanDerWaalsContact C-N 3.31Å; K361-E363 PolarHBondContact O-N 2.63Å; K361-E363 VanDerWaalsContact O-N 3.17Å; E363-E365 PolarHBondContact O-N 2.98Å; E363-L366 PolarHBondContact O-N 3.39Å; E363-K379 WeakPolarHBondContact OE1-CE 3.24Å; E363-K379 IonicContact OE1-NZ 2.62Å; E363-K379 PolarHBondContact OE1-NZ 3.15Å; E363-V381 HydrophobicContact CG-CG2 4.48Å
364	A	97.8	Very high	97.8	Very high	64 Å²	64	47.1 Å²	47.1	53%	0.529	26%	0.258	S	S	.	.	H	α-helix	trans	-68.2	-24.8	176.1	0	0	0	0	0	112.1	K361 P362 L366 L367	K361-A364 HydrophobicContact CB-CB 4.23Å; K361-A364 WeakPolarHBondContact O-CB 3.23Å; K361-A364 PolarHBondContact O-N 3.27Å; P362-A364 VanDerWaalsContact C-N 3.26Å; P362-A364 PolarHBondContact O-N 3.42Å; A364-L366 PolarHBondContact O-N 2.8Å; A364-L367 WeakPolarHBondContact O-CB 3.48Å; A364-L367 PolarHBondContact O-N 2.79Å
365	E	98.2	Very high	97.7	Very high	11 Å²	11	51.9 Å²	51.9	5%	0.051	29%	0.289	C	S	.	.	H	α-helix	trans	-69.5	-24.4	178.7	-53.3	-176.4	126	0	0	112.2	R328 I332 T355 V357 E358 T359 P362 E363 L367 P368	R328-E365 IonicContact CZ-OE1 2.74Å; R328-E365 VanDerWaalsContact NH1-CD 3.26Å; R328-E365 IonicContact NH1-OE1 2.66Å; R328-E365 PolarHBondContact NH1-OE1 2.93Å; R328-E365 IonicContact NH2-OE1 3.14Å; R328-E365 IonicContact NH2-OE2 3.39Å; I332-E365 VanDerWaalsContact CD1-O 3.24Å; I332-E365 WeakPolarHBondContact CD1-O 3.36Å; T355-E365 HydrophobicContact CG2-CB 4.13Å; V357-E365 WeakPolarHBondContact CA-OE2 3.2Å; E358-E365 WeakPolarHBondContact CA-OE1 3.25Å; E358-E365 WeakPolarHBondContact CB-OE1 3.47Å; E358-E365 PolarHBondContact N-OE1 2.77Å; E358-E365 PolarHBondContact N-OE2 2.82Å; T359-E365 PolarHBondContact N-OE1 3.03Å; T359-E365 PolarHBondContact OG1-OE1 3.23Å; P362-E365 VanDerWaalsContact O-CB 3.25Å; P362-E365 WeakPolarHBondContact O-CB 3.39Å; P362-E365 WeakPolarHBondContact O-CG 3.49Å; P362-E365 PolarHBondContact O-N 2.8Å; E363-E365 PolarHBondContact O-N 2.98Å; E365-L367 VanDerWaalsContact C-N 3.3Å; E365-P368 WeakPolarHBondContact O-CD 3.45Å
366	L	98.3	Very high	97.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.1	176.2	-62.7	-176.7	0	0	0	113.2	I298 A300 V353 T355 E363 A364 P368 G369 L370	I298-L366 HydrophobicContact CD1-CD1 3.77Å; I298-L366 HydrophobicContact CD1-CG 4.18Å; I298-L366 HydrophobicContact CG1-CD1 3.83Å; I298-L366 HydrophobicContact CG1-CG 4.41Å; I298-L366 HydrophobicContact CG2-CD1 4.28Å; I298-L366 HydrophobicContact CG2-CD2 3.96Å; I298-L366 HydrophobicContact CG2-CG 3.99Å; A300-L366 HydrophobicContact CB-CD1 3.52Å; V353-L366 HydrophobicContact CB-CD2 4.39Å; V353-L366 HydrophobicContact CG1-CB 4.34Å; V353-L366 HydrophobicContact CG1-CD2 3.88Å; T355-L366 HydrophobicContact CG2-CD2 3.81Å; E363-L366 PolarHBondContact O-N 3.39Å; A364-L366 PolarHBondContact O-N 2.8Å; L366-P368 VanDerWaalsContact C-CD 3.46Å; L366-G369 PolarHBondContact O-N 2.77Å; L366-L370 HydrophobicContact CB-CD1 3.91Å; L366-L370 HydrophobicContact CB-CG 4.1Å; L366-L370 WeakPolarHBondContact O-CG 3.31Å; L366-L370 PolarHBondContact O-N 3.12Å
367	L	97.8	Very high	97.8	Very high	90 Å²	90	57.3 Å²	57.3	47%	0.471	31%	0.311	S	S	.	.	H	α-helix	trans	-52.4	-45.2	-173.6	-178.2	64.8	0	0	0	113.5	A364 E365 G369 L370 Q371	A364-L367 WeakPolarHBondContact O-CB 3.48Å; A364-L367 PolarHBondContact O-N 2.79Å; E365-L367 VanDerWaalsContact C-N 3.3Å; L367-G369 VanDerWaalsContact C-N 3.26Å; L367-G369 PolarHBondContact O-N 2.95Å; L367-L370 PolarHBondContact O-N 3.41Å; L367-Q371 HydrophobicContact CD1-CG 3.91Å; L367-Q371 HydrophobicContact CG-CG 4.25Å; L367-Q371 WeakPolarHBondContact O-CB 3.39Å; L367-Q371 VanDerWaalsContact O-CG 3.27Å; L367-Q371 WeakPolarHBondContact O-CG 3.34Å; L367-Q371 PolarHBondContact O-N 2.99Å
368	P	97.6	Very high	97.8	Very high	30 Å²	30	58.4 Å²	58.4	20%	0.195	31%	0.314	C	S	.	.	H	α-helix	trans	-58.8	-37.7	178	-24	35	0	0	0	113	I321 V326 I332 E365 L366 L372	I321-P368 HydrophobicContact CD1-CB 4.33Å; V326-P368 HydrophobicContact CB-CG 4.23Å; V326-P368 HydrophobicContact CG1-CB 3.66Å; V326-P368 HydrophobicContact CG1-CG 3.79Å; I332-P368 HydrophobicContact CD1-CB 4.06Å; I332-P368 HydrophobicContact CD1-CG 3.98Å; E365-P368 WeakPolarHBondContact O-CD 3.45Å; L366-P368 VanDerWaalsContact C-CD 3.46Å; P368-L372 WeakPolarHBondContact O-CG 3.3Å
369	G	98.2	Very high	97.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-76.6	-41.7	177.7	0	0	0	0	0	113.1	L366 L367 Q371 L372	L366-G369 PolarHBondContact O-N 2.77Å; L367-G369 VanDerWaalsContact C-N 3.26Å; L367-G369 PolarHBondContact O-N 2.95Å; G369-Q371 VanDerWaalsContact C-N 3.29Å; G369-Q371 PolarHBondContact O-N 3.23Å; G369-L372 WeakPolarHBondContact O-CB 3.36Å; G369-L372 PolarHBondContact O-N 2.94Å; G369-L372 VanDerWaalsContact O-N 3.14Å
370	L	98.4	Very high	97.9	Very high	19 Å²	19	55.5 Å²	55.5	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-36.9	177.6	-66.9	173.1	0	0	0	112.1	A300 C302 V353 L366 L367 L372 L373 I376 K379	A300-L370 HydrophobicContact CB-CD2 4.16Å; C302-L370 VanDerWaalsContact SG-CD2 3.56Å; V353-L370 HydrophobicContact CB-CD2 4.39Å; V353-L370 HydrophobicContact CG2-CD2 3.93Å; L366-L370 HydrophobicContact CB-CD1 3.91Å; L366-L370 HydrophobicContact CB-CG 4.1Å; L366-L370 WeakPolarHBondContact O-CG 3.31Å; L366-L370 PolarHBondContact O-N 3.12Å; L367-L370 PolarHBondContact O-N 3.41Å; L370-L372 PolarHBondContact O-N 2.81Å; L370-L373 HydrophobicContact CD2-CD1 4.3Å; L370-L373 PolarHBondContact O-N 3.46Å; L370-I376 HydrophobicContact CB-CD1 4.37Å; L370-I376 HydrophobicContact CD2-CD1 3.87Å; L370-K379 HydrophobicContact CD1-CD 4.26Å; L370-K379 HydrophobicContact CD2-CD 4.11Å
371	Q	97.6	Very high	97.9	Very high	138 Å²	138	51 Å²	51	65%	0.645	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.7	177.3	-77.2	175.4	-24.7	0	0	113.5	L367 G369 L373	L367-Q371 HydrophobicContact CD1-CG 3.91Å; L367-Q371 HydrophobicContact CG-CG 4.25Å; L367-Q371 WeakPolarHBondContact O-CB 3.39Å; L367-Q371 VanDerWaalsContact O-CG 3.27Å; L367-Q371 WeakPolarHBondContact O-CG 3.34Å; L367-Q371 PolarHBondContact O-N 2.99Å; G369-Q371 VanDerWaalsContact C-N 3.29Å; G369-Q371 PolarHBondContact O-N 3.23Å; Q371-L373 VanDerWaalsContact C-N 3.33Å
372	L	98	Very high	98	Very high	22 Å²	22	46.3 Å²	46.3	12%	0.115	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-25.9	177.1	-62.8	177.8	0	0	0	112.4	Y111 V116 I308 P309 I319 I321 I334 P368 G369 L370 G374	Y111-L372 HydrophobicContact CD2-CD1 3.82Å; Y111-L372 HydrophobicContact CD2-CD2 3.95Å; Y111-L372 HydrophobicContact CD2-CG 4.4Å; Y111-L372 HydrophobicContact CE2-CD1 4.46Å; Y111-L372 HydrophobicContact CE2-CD2 3.99Å; V116-L372 HydrophobicContact CG2-CD1 3.77Å; V116-L372 HydrophobicContact CG2-CD2 3.84Å; V116-L372 HydrophobicContact CG2-CG 4.3Å; I308-L372 WeakPolarHBondContact CG2-O 3.28Å; P309-L372 WeakPolarHBondContact CD-O 3.47Å; I319-L372 HydrophobicContact CG2-CD1 4.44Å; I321-L372 HydrophobicContact CD1-CD1 3.84Å; I321-L372 HydrophobicContact CG1-CD1 4.36Å; I334-L372 HydrophobicContact CD1-CB 4.38Å; I334-L372 HydrophobicContact CD1-CD1 3.94Å; P368-L372 WeakPolarHBondContact O-CG 3.3Å; G369-L372 WeakPolarHBondContact O-CB 3.36Å; G369-L372 PolarHBondContact O-N 2.94Å; G369-L372 VanDerWaalsContact O-N 3.14Å; L370-L372 PolarHBondContact O-N 2.81Å; L372-G374 VanDerWaalsContact C-N 3.29Å; L372-G374 PolarHBondContact O-N 3.16Å
373	L	98.1	Very high	98	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-69.9	-25.4	-169.3	-58.7	-174.6	0	0	0	113.4	C302 F304 H306 I308 P309 I334 A351 V353 L370 Q371 I376	C302-L373 HydrophobicContact CB-CD1 3.68Å; F304-L373 HydrophobicContact CE1-CD1 4.29Å; H306-L373 PolarHBondContact CE1-O 3.39Å; I308-L373 HydrophobicContact CD1-CD2 3.55Å; I308-L373 HydrophobicContact CG1-CD2 3.83Å; P309-L373 WeakPolarHBondContact CD-O 3.31Å; I334-L373 HydrophobicContact CD1-CD2 4.49Å; I334-L373 HydrophobicContact CG2-CD2 3.93Å; A351-L373 HydrophobicContact CB-CD1 4.31Å; A351-L373 HydrophobicContact CB-CD2 3.99Å; V353-L373 HydrophobicContact CG2-CD1 3.86Å; V353-L373 HydrophobicContact CG2-CG 4.42Å; L370-L373 HydrophobicContact CD2-CD1 4.3Å; L370-L373 PolarHBondContact O-N 3.46Å; Q371-L373 VanDerWaalsContact C-N 3.33Å; L373-I376 HydrophobicContact CB-CG1 4.24Å; L373-I376 HydrophobicContact CD1-CD1 4.05Å; L373-I376 HydrophobicContact CD1-CG1 4.28Å
374	G	96.9	Very high	98	Very high	28 Å²	28	45.7 Å²	45.7	29%	0.289	26%	0.256	S	S	.	.			trans	84.6	-162.1	-166.1	0	0	0	0	0	111.9	L372 I376	L372-G374 VanDerWaalsContact C-N 3.29Å; L372-G374 PolarHBondContact O-N 3.16Å; G374-I376 PolarHBondContact O-N 3.05Å; G374-I376 VanDerWaalsContact O-N 3.1Å
375	P	98.1	Very high	98	Very high	104 Å²	104	45.6 Å²	45.6	68%	0.675	25%	0.247	S	C	*	.	S	Bend	trans	-58.7	111.5	178.3	-26	35.6	0	0	0	113.1	H306	H306-P375 PolarHBondContact NE2-O 3.06Å
376	I	98.5	Very high	98	Very high	58 Å²	58	46.1 Å²	46.1	30%	0.297	25%	0.25	S	C	.	.			trans	-84.5	127.9	176.3	-58.8	167.4	0	0	0	108.6	C302 L370 L373 G374 Q378 K379	C302-I376 HydrophobicContact CB-CG2 3.98Å; L370-I376 HydrophobicContact CB-CD1 4.37Å; L370-I376 HydrophobicContact CD2-CD1 3.87Å; L373-I376 HydrophobicContact CB-CG1 4.24Å; L373-I376 HydrophobicContact CD1-CD1 4.05Å; L373-I376 HydrophobicContact CD1-CG1 4.28Å; G374-I376 PolarHBondContact O-N 3.05Å; G374-I376 VanDerWaalsContact O-N 3.1Å; I376-Q378 WeakPolarHBondContact CG2-O 3.2Å; I376-K379 HydrophobicContact CG2-CB 4.18Å
377	Y	98.3	Very high	98	Very high	82 Å²	82	48.1 Å²	48.1	32%	0.322	26%	0.26	S	S	.	.	S	Bend	trans	-78.4	-50.6	177.4	-174.6	-80.2	0	0	0	111.3	P63 E65 M66 L303 W348	P63-Y377 WeakPolarHBondContact CB-OH 3.28Å; P63-Y377 HydrophobicContact CG-CE1 4.07Å; E65-Y377 WeakPolarHBondContact OE1-CE2 3.15Å; E65-Y377 PolarHBondContact OE1-OH 2.89Å; M66-Y377 HydrophobicContact CE-CD1 3.17Å; M66-Y377 HydrophobicContact CE-CE1 3.32Å; M66-Y377 HydrophobicContact CE-CG 4.16Å; M66-Y377 HydrophobicContact SD-CE1 4.41Å; L303-Y377 WeakPolarHBondContact O-CA 3.26Å; L303-Y377 VanDerWaalsContact O-CB 3.23Å; L303-Y377 WeakPolarHBondContact O-CB 3.35Å; L303-Y377 PolarHBondContact O-N 3.43Å; W348-Y377 HydrophobicContact CH2-CD1 4.06Å; W348-Y377 AromaticContact CH2-CD2 3.91Å; W348-Y377 HydrophobicContact CH2-CD2 3.91Å; W348-Y377 HydrophobicContact CH2-CE1 4.27Å; W348-Y377 HydrophobicContact CH2-CE2 4.12Å; W348-Y377 AromaticContact CH2-CG 3.85Å; W348-Y377 HydrophobicContact CH2-CG 3.85Å; W348-Y377 HydrophobicContact CZ3-CD1 4.15Å; W348-Y377 HydrophobicContact CZ3-CD2 4.35Å; W348-Y377 AromaticContact CZ3-CG 3.91Å; W348-Y377 HydrophobicContact CZ3-CG 3.91Å
378	Q	98.1	Very high	98	Very high	49 Å²	49	46 Å²	46	23%	0.229	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.6	177.6	-176.9	56.6	39.9	0	0	110.1	M66 C302 L303 I376 F380	M66-Q378 HydrophobicContact CE-CB 4.24Å; C302-Q378 CarbonylContact C-O 2.99Å; C302-Q378 WeakPolarHBondContact CA-O 3.38Å; L303-Q378 HydrophobicContact CB-CB 4.38Å; L303-Q378 PolarHBondContact N-O 2.72Å; L303-Q378 PolarHBondContact O-N 2.94Å; I376-Q378 WeakPolarHBondContact CG2-O 3.2Å; Q378-F380 HydrophobicContact CB-CE2 4.39Å; Q378-F380 HydrophobicContact CB-CZ 4.44Å; Q378-F380 HydrophobicContact CG-CD1 4.48Å; Q378-F380 HydrophobicContact CG-CD2 4.31Å; Q378-F380 HydrophobicContact CG-CE1 3.8Å; Q378-F380 HydrophobicContact CG-CE2 3.55Å; Q378-F380 HydrophobicContact CG-CZ 3.28Å
379	K	98.1	Very high	98	Very high	69 Å²	69	45.6 Å²	45.6	30%	0.3	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.7	179.5	-170.7	178.9	69.9	173.6	0	110.2	A300 I301 E363 L370 I376 V381	A300-K379 HydrophobicContact CB-CD 4.34Å; A300-K379 HydrophobicContact CB-CG 4.23Å; I301-K379 CarbonylContact O-C 3.58Å; I301-K379 VanDerWaalsContact O-CA 3.31Å; I301-K379 WeakPolarHBondContact O-CA 3.25Å; E363-K379 WeakPolarHBondContact OE1-CE 3.24Å; E363-K379 IonicContact OE1-NZ 2.62Å; E363-K379 PolarHBondContact OE1-NZ 3.15Å; L370-K379 HydrophobicContact CD1-CD 4.26Å; L370-K379 HydrophobicContact CD2-CD 4.11Å; I376-K379 HydrophobicContact CG2-CB 4.18Å; K379-V381 HydrophobicContact CD-CG2 4.23Å; K379-V381 HydrophobicContact CG-CG2 4.15Å
380	F	98.3	Very high	98	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.6	175.2	-49.2	-83	0	0	0	108.6	L52 Y53 F56 L57 A300 I301 L303 Q378	L52-F380 HydrophobicContact CD2-CD2 3.91Å; L52-F380 HydrophobicContact CD2-CE2 3.43Å; L52-F380 VanDerWaalsContact CD2-CE2 3.43Å; L52-F380 HydrophobicContact CD2-CZ 3.95Å; L52-F380 HydrophobicContact CG-CD2 4.21Å; L52-F380 HydrophobicContact CG-CE2 3.94Å; L52-F380 HydrophobicContact CG-CZ 4.13Å; Y53-F380 HydrophobicContact CD2-CZ 4.08Å; Y53-F380 HydrophobicContact CE1-CZ 4.44Å; Y53-F380 AromaticContact CE2-CZ 3.82Å; Y53-F380 HydrophobicContact CE2-CZ 3.82Å; F56-F380 HydrophobicContact CB-CB 4.01Å; F56-F380 HydrophobicContact CB-CD1 3.4Å; F56-F380 VanDerWaalsContact CB-CD1 3.4Å; F56-F380 HydrophobicContact CB-CE1 4.18Å; F56-F380 HydrophobicContact CB-CG 4.05Å; F56-F380 HydrophobicContact CD1-CB 3.84Å; F56-F380 HydrophobicContact CD2-CB 4.04Å; F56-F380 HydrophobicContact CD2-CD1 4.36Å; F56-F380 HydrophobicContact CD2-CG 4.3Å; F56-F380 HydrophobicContact CE1-CB 4.24Å; F56-F380 HydrophobicContact CE2-CB 4.44Å; F56-F380 HydrophobicContact CG-CB 3.72Å; F56-F380 HydrophobicContact CG-CD1 4Å; F56-F380 HydrophobicContact CG-CG 4.15Å; L57-F380 HydrophobicContact CD1-CD1 4.25Å; L57-F380 HydrophobicContact CD1-CE1 3.63Å; L57-F380 HydrophobicContact CG-CD1 4.14Å; L57-F380 HydrophobicContact CG-CE1 3.88Å; A300-F380 CarbonylContact C-O 3.51Å; A300-F380 VanDerWaalsContact CA-O 3.27Å; A300-F380 WeakPolarHBondContact CA-O 3.44Å; I301-F380 HydrophobicContact CB-CB 4.31Å; I301-F380 HydrophobicContact CB-CD2 4.24Å; I301-F380 HydrophobicContact CG2-CD2 4.33Å; I301-F380 PolarHBondContact N-O 3.38Å; I301-F380 PolarHBondContact O-N 3Å; L303-F380 HydrophobicContact CD1-CE2 3.85Å; L303-F380 HydrophobicContact CD1-CZ 4.46Å; L303-F380 HydrophobicContact CG-CE2 4.01Å; Q378-F380 HydrophobicContact CB-CE2 4.39Å; Q378-F380 HydrophobicContact CB-CZ 4.44Å; Q378-F380 HydrophobicContact CG-CD1 4.48Å; Q378-F380 HydrophobicContact CG-CD2 4.31Å; Q378-F380 HydrophobicContact CG-CE1 3.8Å; Q378-F380 HydrophobicContact CG-CE2 3.55Å; Q378-F380 HydrophobicContact CG-CZ 3.28Å
381	V	98.1	Very high	97.9	Very high	48 Å²	48	52.1 Å²	52.1	29%	0.291	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.9	-174.2	-178	0	0	0	0	109.5	I298 R299 A300 E363 K379	I298-V381 HydrophobicContact CD1-CG1 3.8Å; I298-V381 HydrophobicContact CG1-CG1 4.04Å; R299-V381 WeakPolarHBondContact O-CA 3.35Å; A300-V381 HydrophobicContact CB-CG2 4.2Å; E363-V381 HydrophobicContact CG-CG2 4.48Å; K379-V381 HydrophobicContact CD-CG2 4.23Å; K379-V381 HydrophobicContact CG-CG2 4.15Å
382	S	97.8	Very high	97.9	Very high	39 Å²	39	49.3 Å²	49.3	27%	0.273	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.3	171.2	48.9	0	0	0	0	110.6	I298 R299	I298-S382 WeakPolarHBondContact CA-O 3.48Å; R299-S382 PolarHBondContact N-O 3.06Å; R299-S382 PolarHBondContact O-N 3.46Å
383	I	98	Very high	97.9	Very high	80 Å²	80	48.3 Å²	48.3	41%	0.41	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.1	167	-58.6	169.5	0	0	0	106.7	Q296 V297 I298 V357 P362	Q296-I383 HydrophobicContact CB-CG2 4Å; V297-I383 CarbonylContact O-C 3.53Å; V297-I383 VanDerWaalsContact O-CA 3.29Å; V297-I383 WeakPolarHBondContact O-CA 3.42Å; I298-I383 HydrophobicContact CB-CG1 4.1Å; I298-I383 HydrophobicContact CD1-CG1 4.3Å; I298-I383 HydrophobicContact CG1-CG1 3.93Å; V357-I383 HydrophobicContact CG2-CG2 4.4Å; P362-I383 HydrophobicContact CB-CD1 3.82Å; P362-I383 HydrophobicContact CB-CG1 4.44Å; P362-I383 HydrophobicContact CG-CD1 3.82Å
384	S	97.4	Very high	97.8	Very high	24 Å²	24	51.4 Å²	51.4	17%	0.168	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.6	170.7	63.2	0	0	0	0	111.6	E42 Q296 V297 R299	E42-S384 WeakPolarHBondContact OE1-CB 3.28Å; E42-S384 PolarHBondContact OE1-OG 3.34Å; Q296-S384 CarbonylContact C-O 3.59Å; Q296-S384 VanDerWaalsContact CA-O 3.24Å; Q296-S384 WeakPolarHBondContact CA-O 3.39Å; Q296-S384 WeakPolarHBondContact CB-O 3.38Å; V297-S384 VanDerWaalsContact CG1-OG 3.27Å; V297-S384 WeakPolarHBondContact CG1-OG 3.35Å; V297-S384 PolarHBondContact N-O 3.07Å; V297-S384 PolarHBondContact O-N 2.94Å; R299-S384 PolarHBondContact NH1-OG 3.28Å; R299-S384 VanDerWaalsContact NH1-OG 3.13Å
385	D	98	Very high	97.8	Very high	62 Å²	62	55.1 Å²	55.1	33%	0.332	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	137.1	178.6	-75.1	-2.3	0	0	0	109.8	K293 Q296 L387 S403	K293-D385 HydrophobicContact CD-CB 4.37Å; K293-D385 WeakPolarHBondContact CD-OD2 3.38Å; K293-D385 VanDerWaalsContact CE-CG 3.46Å; K293-D385 VanDerWaalsContact CE-OD1 3.3Å; K293-D385 WeakPolarHBondContact CE-OD1 3.34Å; K293-D385 WeakPolarHBondContact CE-OD2 3.43Å; K293-D385 HydrophobicContact CG-CB 4.48Å; K293-D385 IonicContact NZ-OD1 3.42Å; K293-D385 PolarHBondContact NZ-OD1 2.84Å; K293-D385 IonicContact NZ-OD2 3.66Å; K293-D385 PolarHBondContact NZ-OD2 2.96Å; Q296-D385 WeakPolarHBondContact CG-OD1 3.31Å; Q296-D385 PolarHBondContact NE2-OD1 2.89Å; D385-L387 HydrophobicContact CB-CD2 4.13Å; D385-L387 HydrophobicContact CB-CG 4.35Å; D385-S403 PolarHBondContact O-OG 2.79Å
386	L	98.1	Very high	97.8	Very high	22 Å²	22	50.6 Å²	50.6	12%	0.115	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	111.1	169.3	-64.7	174.2	0	0	0	107.9	K293 V294 G295 V297 T356 Y404	K293-L386 WeakPolarHBondContact CA-O 3.22Å; V294-L386 HydrophobicContact CG2-CB 4.01Å; V294-L386 WeakPolarHBondContact CG2-O 3.37Å; V294-L386 PolarHBondContact N-O 3.3Å; G295-L386 PolarHBondContact O-N 3.31Å; V297-L386 HydrophobicContact CB-CD2 4.24Å; V297-L386 HydrophobicContact CB-CG 4.44Å; V297-L386 HydrophobicContact CG1-CD2 3.94Å; V297-L386 HydrophobicContact CG1-CG 4.4Å; T356-L386 HydrophobicContact CG2-CD1 4.49Å; L386-Y404 WeakPolarHBondContact CD2-O 3.42Å
387	L	98.4	Very high	97.8	Very high	43 Å²	43	50.2 Å²	50.2	23%	0.225	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	143.4	179.4	-54.2	176.8	0	0	0	110	P284 V291 R292 K293 D385 K402 S403	P284-L387 HydrophobicContact CB-CB 3.86Å; P284-L387 HydrophobicContact CB-CD1 3.62Å; P284-L387 HydrophobicContact CB-CG 4.37Å; P284-L387 HydrophobicContact CG-CB 3.98Å; V291-L387 HydrophobicContact CB-CB 4.31Å; V291-L387 HydrophobicContact CG2-CB 4.43Å; V291-L387 HydrophobicContact CG2-CD1 4.19Å; R292-L387 WeakPolarHBondContact O-CA 3.28Å; K293-L387 HydrophobicContact CB-CD2 3.98Å; D385-L387 HydrophobicContact CB-CD2 4.13Å; D385-L387 HydrophobicContact CB-CG 4.35Å; L387-K402 WeakPolarHBondContact O-CA 3.42Å; L387-S403 WeakPolarHBondContact CB-OG 3.3Å; L387-S403 PolarHBondContact N-OG 3.15Å; L387-S403 PolarHBondContact O-N 2.85Å
388	E	98	Very high	97.8	Very high	44 Å²	44	46.7 Å²	46.7	21%	0.206	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154	170.9	70.3	178.4	-166.7	0	0	110.3	V291 R292 V294 K402	V291-E388 CarbonylContact C-O 3.58Å; V291-E388 VanDerWaalsContact CA-O 3.23Å; V291-E388 WeakPolarHBondContact CA-O 3.21Å; V291-E388 WeakPolarHBondContact CB-O 3.28Å; R292-E388 HydrophobicContact CG-CG 3.89Å; R292-E388 IonicContact CZ-OE1 2.88Å; R292-E388 PolarHBondContact N-O 3.34Å; R292-E388 IonicContact NE-OE1 3.42Å; R292-E388 PolarHBondContact NE-OE1 3.39Å; R292-E388 IonicContact NH2-OE1 3.59Å; R292-E388 PolarHBondContact NH2-OE1 3.04Å; R292-E388 PolarHBondContact O-N 3.02Å; V294-E388 HydrophobicContact CG1-CG 3.64Å; V294-E388 VanDerWaalsContact CG1-OE1 3.31Å; V294-E388 WeakPolarHBondContact CG1-OE1 3.45Å; V294-E388 HydrophobicContact CG2-CG 4.32Å; E388-K402 HydrophobicContact CB-CG 4.04Å
389	P	98.3	Very high	97.8	Very high	23 Å²	23	44.4 Å²	44.4	15%	0.149	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	145.4	175	24.9	-34.8	0	0	0	112.3	D391 I400	P389-D391 WeakPolarHBondContact CB-O 3.47Å; P389-I400 HydrophobicContact CB-CB 4.18Å
390	I	97.9	Very high	97.9	Very high	87 Å²	87	41.4 Å²	41.4	45%	0.446	24%	0.236	S	C	.	.	S	Bend	trans	-80.5	-18.5	176.9	66	-179.2	0	0	0	113.6	K290 R292	K290-I390 HydrophobicContact CD-CD1 4.26Å; K290-I390 WeakPolarHBondContact O-CG1 3.42Å; K290-I390 PolarHBondContact O-N 3.3Å; R292-I390 HydrophobicContact CB-CG2 3.95Å; R292-I390 HydrophobicContact CG-CG2 4.18Å
391	D	96.9	Very high	97.9	Very high	68 Å²	68	41.3 Å²	41.3	36%	0.364	24%	0.236	S	C	.	.	S	Bend	trans	-141.4	171.9	178.1	65.7	63	0	0	0	110.5	P389 G393	P389-D391 WeakPolarHBondContact CB-O 3.47Å; D391-G393 VanDerWaalsContact C-N 3.29Å; D391-G393 PolarHBondContact O-N 3.17Å; D391-G393 WeakPolarHBondContact OD1-CA 3.3Å; D391-G393 PolarHBondContact OD1-N 2.84Å
392	D	96.8	Very high	97.9	Very high	80 Å²	80	43.6 Å²	43.6	43%	0.428	24%	0.242	S	C	.	.			trans	-82.7	-1.7	-175.2	71.5	8	0	0	0	114.1	T394 R423	D392-T394 VanDerWaalsContact CG-OG1 3.31Å; D392-T394 PolarHBondContact O-N 3.43Å; D392-T394 WeakPolarHBondContact OD1-CB 3.49Å; D392-T394 WeakPolarHBondContact OD1-CG2 3.29Å; D392-T394 PolarHBondContact OD1-N 3.34Å; D392-T394 PolarHBondContact OD1-OG1 2.79Å; D392-T394 PolarHBondContact OD2-OG1 3.43Å; D392-R423 WeakPolarHBondContact O-CD 3.47Å; D392-R423 PolarHBondContact O-NH1 3.15Å
393	G	97.8	Very high	97.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	76.8	-8.8	-179.2	0	0	0	0	0	115.8	D391 C395 S396 N397 L398	D391-G393 VanDerWaalsContact C-N 3.29Å; D391-G393 PolarHBondContact O-N 3.17Å; D391-G393 WeakPolarHBondContact OD1-CA 3.3Å; D391-G393 PolarHBondContact OD1-N 2.84Å; G393-C395 PolarHBondContact O-N 3.27Å; G393-S396 PolarHBondContact O-N 2.84Å; G393-S396 PolarHBondContact O-OG 2.84Å; G393-N397 VanDerWaalsContact O-CA 3.3Å; G393-N397 WeakPolarHBondContact O-CA 3.37Å; G393-N397 PolarHBondContact O-N 2.91Å; G393-L398 WeakPolarHBondContact CA-O 3.11Å; G393-L398 PolarHBondContact O-N 2.96Å
394	T	97	Very high	97.8	Very high	65 Å²	65	39.6 Å²	39.6	40%	0.399	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-31.7	-172.2	61.6	0	0	0	0	113.3	D392 F399 R423	D392-T394 VanDerWaalsContact CG-OG1 3.31Å; D392-T394 PolarHBondContact O-N 3.43Å; D392-T394 WeakPolarHBondContact OD1-CB 3.49Å; D392-T394 WeakPolarHBondContact OD1-CG2 3.29Å; D392-T394 PolarHBondContact OD1-N 3.34Å; D392-T394 PolarHBondContact OD1-OG1 2.79Å; D392-T394 PolarHBondContact OD2-OG1 3.43Å; T394-F399 HydrophobicContact CG2-CE1 4.41Å; T394-R423 HydrophobicContact CG2-CB 4.48Å
395	C	96.4	Very high	97.7	Very high	107 Å²	107	39.7 Å²	39.7	72%	0.723	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-32	175.2	-64.8	0	0	0	0	112.3	C264 G393	C264-C395 PolarHBondContact SG-O 3.49Å; G393-C395 PolarHBondContact O-N 3.27Å
396	S	97.9	Very high	97.7	Very high	9 Å²	9	36.9 Å²	36.9	6%	0.063	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-15	-172.2	63.1	0	0	0	0	113.4	G263 C264 V265 G393 L398	G263-S396 WeakPolarHBondContact O-CA 3.24Å; C264-S396 CarbonylContact C-O 3.54Å; C264-S396 WeakPolarHBondContact CA-O 3Å; V265-S396 WeakPolarHBondContact CG2-O 3.39Å; V265-S396 PolarHBondContact N-O 2.97Å; G393-S396 PolarHBondContact O-N 2.84Å; G393-S396 PolarHBondContact O-OG 2.84Å; S396-L398 PolarHBondContact O-N 2.79Å; S396-L398 PolarHBondContact OG-N 2.84Å
397	N	98.4	Very high	97.6	Very high	49 Å²	49	35.9 Å²	35.9	26%	0.262	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	27.7	-166.1	-67	-49.5	0	0	0	113.7	V265 K278 Q279 V280 G393	V265-N397 HydrophobicContact CB-CB 4.24Å; V265-N397 WeakPolarHBondContact CG2-O 3.25Å; K278-N397 VanDerWaalsContact O-CB 3.3Å; K278-N397 WeakPolarHBondContact O-CB 3.42Å; Q279-N397 WeakPolarHBondContact CA-O 3.39Å; Q279-N397 HydrophobicContact CG-CB 4.13Å; V280-N397 PolarHBondContact N-O 2.92Å; G393-N397 VanDerWaalsContact O-CA 3.3Å; G393-N397 WeakPolarHBondContact O-CA 3.37Å; G393-N397 PolarHBondContact O-N 2.91Å
398	L	98.6	Very high	97.5	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	106.4	175.6	176.4	58.9	0	0	0	109.7	I258 V265 V280 A287 K290 G393 S396 I400	I258-L398 HydrophobicContact CD1-CD1 3.85Å; I258-L398 HydrophobicContact CD1-CD2 4.42Å; V265-L398 HydrophobicContact CG2-CB 3.92Å; V280-L398 HydrophobicContact CB-CD1 3.92Å; V280-L398 HydrophobicContact CG1-CD1 3.62Å; V280-L398 CarbonylContact O-C 3.51Å; V280-L398 WeakPolarHBondContact O-CA 3.38Å; A287-L398 HydrophobicContact CB-CD2 4.19Å; K290-L398 HydrophobicContact CG-CD2 4.09Å; G393-L398 WeakPolarHBondContact CA-O 3.11Å; G393-L398 PolarHBondContact O-N 2.96Å; S396-L398 PolarHBondContact O-N 2.79Å; S396-L398 PolarHBondContact OG-N 2.84Å; L398-I400 HydrophobicContact CD1-CG1 4.29Å; L398-I400 HydrophobicContact CD2-CD1 4.23Å; L398-I400 HydrophobicContact CD2-CG1 4.48Å; L398-I400 HydrophobicContact CG-CD1 4.23Å; L398-I400 HydrophobicContact CG-CG1 3.98Å
399	F	98.6	Very high	97.4	Very high	2 Å²	2	32 Å²	32	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	108	-175.7	-54	-81.5	0	0	0	110	Q279 V280 Y281 C282 T394 I420 R423 G424	Q279-F399 HydrophobicContact CB-CE2 4.24Å; Q279-F399 HydrophobicContact CG-CE2 4.22Å; V280-F399 PolarHBondContact O-N 3.49Å; Y281-F399 CarbonylContact C-O 3.56Å; Y281-F399 WeakPolarHBondContact CA-O 3.42Å; Y281-F399 HydrophobicContact CD1-CB 3.56Å; Y281-F399 HydrophobicContact CD1-CD2 4.09Å; Y281-F399 HydrophobicContact CD1-CG 4.12Å; Y281-F399 HydrophobicContact CE1-CB 3.81Å; Y281-F399 AromaticContact CE1-CD2 3.69Å; Y281-F399 HydrophobicContact CE1-CD2 3.69Å; Y281-F399 AromaticContact CE1-CG 3.86Å; Y281-F399 HydrophobicContact CE1-CG 3.86Å; Y281-F399 HydrophobicContact CE2-CD2 4.2Å; Y281-F399 HydrophobicContact CG-CB 4.26Å; Y281-F399 AromaticContact CZ-CD2 3.75Å; C282-F399 PolarHBondContact N-O 2.89Å; C282-F399 VanDerWaalsContact N-O 3.08Å; T394-F399 HydrophobicContact CG2-CE1 4.41Å; F399-I420 HydrophobicContact CB-CG2 4.14Å; F399-R423 HydrophobicContact CD1-CB 4Å; F399-R423 VanDerWaalsContact CE1-C 3.49Å; F399-R423 HydrophobicContact CE1-CB 4.02Å; F399-R423 WeakPolarHBondContact CE1-O 3.27Å; F399-G424 VanDerWaalsContact CZ-CA 3.5Å
400	I	98.6	Very high	97.1	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.9	-175	-46.9	166.2	0	0	0	108.9	C282 P284 A287 K290 V291 P389 L398	C282-I400 VanDerWaalsContact O-CA 3.31Å; C282-I400 WeakPolarHBondContact O-CA 3.1Å; C282-I400 WeakPolarHBondContact O-CG2 3.44Å; P284-I400 HydrophobicContact CG-CG2 4.26Å; A287-I400 HydrophobicContact CB-CD1 3.66Å; A287-I400 HydrophobicContact CB-CG1 4.26Å; K290-I400 HydrophobicContact CB-CD1 3.44Å; K290-I400 VanDerWaalsContact CB-CD1 3.44Å; V291-I400 HydrophobicContact CG1-CD1 3.99Å; V291-I400 HydrophobicContact CG1-CG2 3.79Å; P389-I400 HydrophobicContact CB-CB 4.18Å; L398-I400 HydrophobicContact CD1-CG1 4.29Å; L398-I400 HydrophobicContact CD2-CD1 4.23Å; L398-I400 HydrophobicContact CD2-CG1 4.48Å; L398-I400 HydrophobicContact CG-CD1 4.23Å; L398-I400 HydrophobicContact CG-CG1 3.98Å
401	S	98.2	Very high	96.8	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.021	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-75.7	164.8	172.7	63.1	0	0	0	0	112.7	E16 C282 D283 P284 D416	E16-S401 WeakPolarHBondContact OE1-CB 3.03Å; E16-S401 PolarHBondContact OE1-OG 3.44Å; C282-S401 PolarHBondContact O-N 3.24Å; C282-S401 PolarHBondContact O-OG 2.87Å; D283-S401 WeakPolarHBondContact CA-OG 3.29Å; P284-S401 WeakPolarHBondContact CG-O 3.49Å; S401-D416 WeakPolarHBondContact CB-OD2 3.27Å
402	K	97.8	Very high	96.7	Very high	95 Å²	95	28 Å²	28	41%	0.413	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-86.4	149.9	170.8	-64.8	174.3	-172.7	173	0	110.2	L387 E388 D416	L387-K402 WeakPolarHBondContact O-CA 3.42Å; E388-K402 HydrophobicContact CB-CG 4.04Å; K402-D416 WeakPolarHBondContact CD-OD1 3.36Å; K402-D416 WeakPolarHBondContact CG-OD1 3.42Å; K402-D416 PolarHBondContact N-OD2 2.88Å
403	S	97.5	Very high	96.5	Very high	21 Å²	21	24.4 Å²	24.4	15%	0.147	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-58.3	149.2	167.5	-65.3	0	0	0	0	111.3	D385 L387 D405	D385-S403 PolarHBondContact O-OG 2.79Å; L387-S403 WeakPolarHBondContact CB-OG 3.3Å; L387-S403 PolarHBondContact N-OG 3.15Å; L387-S403 PolarHBondContact O-N 2.85Å; S403-D405 PolarHBondContact O-N 2.91Å
404	Y	96.8	Very high	96.3	Very high	15 Å²	15	25.4 Å²	25.4	6%	0.059	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-67.1	127	176.5	-62.2	-70.7	0	0	0	111.7	L14 T15 I77 R299 L386 T413	L14-Y404 HydrophobicContact CB-CE1 4.34Å; L14-Y404 PolarHBondContact N-OH 3.38Å; T15-Y404 PolarHBondContact N-OH 2.94Å; T15-Y404 WeakPolarHBondContact OG1-CE1 3.35Å; T15-Y404 PolarHBondContact OG1-OH 3.23Å; T15-Y404 VanDerWaalsContact OG1-OH 3.13Å; I77-Y404 HydrophobicContact CD1-CD2 3.58Å; I77-Y404 HydrophobicContact CD1-CG 3.88Å; I77-Y404 HydrophobicContact CG2-CG 4.27Å; R299-Y404 PolarHBondContact NH2-O 2.88Å; L386-Y404 WeakPolarHBondContact CD2-O 3.42Å; Y404-T413 HydrophobicContact CD1-CG2 4.48Å; Y404-T413 HydrophobicContact CE1-CG2 3.93Å
405	D	96.3	Very high	96.1	Very high	26 Å²	26	26.1 Å²	26.1	14%	0.139	14%	0.141	C	C	.	.			trans	-73	-177.2	174.5	69	17.6	0	0	0	113.2	K79 R299 S403 T407 T412	K79-D405 PolarHBondContact NZ-O 2.93Å; K79-D405 IonicContact NZ-OD1 2.84Å; K79-D405 PolarHBondContact NZ-OD1 2.86Å; R299-D405 PolarHBondContact NH2-O 3.07Å; S403-D405 PolarHBondContact O-N 2.91Å; D405-T407 VanDerWaalsContact C-N 3.28Å; D405-T407 PolarHBondContact O-N 3.48Å; D405-T407 VanDerWaalsContact OD1-CB 3.32Å; D405-T407 WeakPolarHBondContact OD1-CB 3.26Å; D405-T407 WeakPolarHBondContact OD1-CG2 3.4Å; D405-T407 PolarHBondContact OD1-N 2.95Å; D405-T407 PolarHBondContact OD1-OG1 3.49Å; D405-T407 WeakPolarHBondContact OD2-CG2 3.39Å; D405-T412 VanDerWaalsContact OD2-CB 3.24Å; D405-T412 WeakPolarHBondContact OD2-CB 3.23Å; D405-T412 VanDerWaalsContact OD2-CG2 3.25Å; D405-T412 WeakPolarHBondContact OD2-CG2 3.45Å; D405-T412 PolarHBondContact OD2-OG1 3Å
406	A	97.2	Very high	96.1	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.017	11%	0.109	C	C	.	.	S	Bend	trans	-74.1	-10.5	179.8	0	0	0	0	0	114.8	V297 Y333 S354	V297-A406 HydrophobicContact CG2-CB 3.72Å; Y333-A406 HydrophobicContact CD2-CB 4.02Å; Y333-A406 WeakPolarHBondContact CD2-O 3.44Å; Y333-A406 HydrophobicContact CE2-CB 4.25Å; S354-A406 PolarHBondContact OG-O 3.3Å
407	T	97.2	Very high	95.9	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	11%	0.107	C	C	.	.			trans	-65.4	152.2	-169.4	65.2	0	0	0	0	111.9	K79 L193 Y333 D405 H409	K79-T407 WeakPolarHBondContact CD-O 3.24Å; K79-T407 WeakPolarHBondContact CE-O 3.22Å; K79-T407 WeakPolarHBondContact CE-OG1 3.41Å; K79-T407 PolarHBondContact NZ-O 3.06Å; L193-T407 HydrophobicContact CD2-CG2 3.29Å; Y333-T407 HydrophobicContact CE1-CG2 4.3Å; Y333-T407 HydrophobicContact CE2-CG2 4.08Å; D405-T407 VanDerWaalsContact C-N 3.28Å; D405-T407 PolarHBondContact O-N 3.48Å; D405-T407 VanDerWaalsContact OD1-CB 3.32Å; D405-T407 WeakPolarHBondContact OD1-CB 3.26Å; D405-T407 WeakPolarHBondContact OD1-CG2 3.4Å; D405-T407 PolarHBondContact OD1-N 2.95Å; D405-T407 PolarHBondContact OD1-OG1 3.49Å; D405-T407 WeakPolarHBondContact OD2-CG2 3.39Å; T407-H409 VanDerWaalsContact C-N 3.32Å; T407-H409 PolarHBondContact OG1-O 2.86Å; T407-H409 VanDerWaalsContact OG1-O 3.1Å
408	S	96.4	Very high	95.7	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	11%	0.107	C	C	.	.	S	Bend	trans	-93.3	17.3	173.2	48.9	0	0	0	0	113	F80 Q318	F80-S408 PolarHBondContact N-O 3.44Å; Q318-S408 VanDerWaalsContact CG-OG 3.31Å; Q318-S408 WeakPolarHBondContact CG-OG 3.45Å; Q318-S408 PolarHBondContact NE2-O 3.42Å; Q318-S408 PolarHBondContact NE2-OG 2.59Å
409	H	94.6	Very high	95.6	Very high	3 Å²	3	24 Å²	24	1%	0.014	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-142.8	154.6	-174.2	58.1	53.5	0	0	0	112.3	K79 F80 T407 K411	K79-H409 VanDerWaalsContact CD-O 3.25Å; K79-H409 WeakPolarHBondContact CD-O 3.27Å; F80-H409 WeakPolarHBondContact O-CA 3.43Å; T407-H409 VanDerWaalsContact C-N 3.32Å; T407-H409 PolarHBondContact OG1-O 2.86Å; T407-H409 VanDerWaalsContact OG1-O 3.1Å; H409-K411 VanDerWaalsContact C-N 3.29Å; H409-K411 PolarHBondContact O-N 3.29Å
410	F	93	Very high	95.6	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.022	12%	0.122	C	C	.	.	S	Bend	trans	-74.3	-2.9	-173.4	-90.4	-79.9	0	0	0	116.6	L14 K79 F80 L81 L87 L231 L234 T412 T413 C414	L14-F410 HydrophobicContact CD1-CE1 3.96Å; L14-F410 HydrophobicContact CD1-CZ 3.9Å; L14-F410 HydrophobicContact CD2-CZ 4.41Å; K79-F410 HydrophobicContact CB-CD1 4.24Å; K79-F410 HydrophobicContact CB-CD2 3.53Å; K79-F410 HydrophobicContact CB-CE1 4.11Å; K79-F410 HydrophobicContact CB-CE2 3.39Å; K79-F410 HydrophobicContact CB-CG 3.97Å; K79-F410 HydrophobicContact CB-CZ 3.69Å; K79-F410 WeakPolarHBondContact O-CE2 3.47Å; F80-F410 PolarHBondContact O-N 2.98Å; L81-F410 HydrophobicContact CB-CD2 4.43Å; L81-F410 HydrophobicContact CD1-CD2 3.89Å; L81-F410 HydrophobicContact CD1-CE2 3.62Å; L81-F410 HydrophobicContact CG-CD2 3.67Å; L81-F410 HydrophobicContact CG-CE2 3.86Å; L87-F410 HydrophobicContact CD2-CB 4.2Å; L87-F410 HydrophobicContact CD2-CD1 3.66Å; L87-F410 HydrophobicContact CD2-CD2 4.09Å; L87-F410 HydrophobicContact CD2-CE1 3.98Å; L87-F410 HydrophobicContact CD2-CE2 4.36Å; L87-F410 HydrophobicContact CD2-CG 3.72Å; L87-F410 HydrophobicContact CD2-CZ 4.32Å; L231-F410 HydrophobicContact CD1-CE2 4.45Å; L231-F410 HydrophobicContact CD1-CZ 4.42Å; L231-F410 HydrophobicContact CD2-CE2 3.73Å; L231-F410 HydrophobicContact CD2-CZ 3.89Å; L234-F410 HydrophobicContact CD1-CE2 4.18Å; L234-F410 HydrophobicContact CD1-CZ 3.74Å; F410-T412 PolarHBondContact O-N 3.39Å; F410-T413 HydrophobicContact CD1-CG2 4Å; F410-T413 HydrophobicContact CE1-CG2 4.25Å; F410-T413 PolarHBondContact O-N 3.26Å; F410-C414 WeakPolarHBondContact O-CB 3.26Å; F410-C414 PolarHBondContact O-N 2.95Å; F410-C414 PolarHBondContact O-SG 3.37Å
411	K	91.7	Very high	95.4	Very high	60 Å²	60	23.9 Å²	23.9	26%	0.261	12%	0.121	S	C	.	.	H	α-helix	trans	-50.3	-54.5	-169.4	-177.4	61.6	168.6	101.9	0	113.6	H409 C414 E415	H409-K411 VanDerWaalsContact C-N 3.29Å; H409-K411 PolarHBondContact O-N 3.29Å; K411-C414 PolarHBondContact O-N 3.04Å; K411-E415 IonicContact NZ-OE1 2.97Å; K411-E415 PolarHBondContact NZ-OE1 2.91Å; K411-E415 WeakPolarHBondContact O-CG 3.49Å; K411-E415 PolarHBondContact O-N 3.47Å
412	T	93	Very high	95.4	Very high	29 Å²	29	28.4 Å²	28.4	18%	0.178	14%	0.142	C	C	.	.	H	α-helix	trans	-70.5	-39.5	-178.1	49.2	0	0	0	0	112.3	L193 D405 F410 C414 E415 D416	L193-T412 HydrophobicContact CD1-CG2 4.06Å; D405-T412 VanDerWaalsContact OD2-CB 3.24Å; D405-T412 WeakPolarHBondContact OD2-CB 3.23Å; D405-T412 VanDerWaalsContact OD2-CG2 3.25Å; D405-T412 WeakPolarHBondContact OD2-CG2 3.45Å; D405-T412 PolarHBondContact OD2-OG1 3Å; F410-T412 PolarHBondContact O-N 3.39Å; T412-C414 VanDerWaalsContact C-N 3.32Å; T412-C414 PolarHBondContact O-N 3.22Å; T412-E415 PolarHBondContact O-N 3.22Å; T412-D416 PolarHBondContact O-N 3.04Å
413	T	94	Very high	95.3	Very high	6 Å²	6	25.8 Å²	25.8	4%	0.037	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-41.3	173	-55.8	0	0	0	0	111.9	Y404 F410 D416 V417	Y404-T413 HydrophobicContact CD1-CG2 4.48Å; Y404-T413 HydrophobicContact CE1-CG2 3.93Å; F410-T413 HydrophobicContact CD1-CG2 4Å; F410-T413 HydrophobicContact CE1-CG2 4.25Å; F410-T413 PolarHBondContact O-N 3.26Å; T413-D416 PolarHBondContact O-N 2.82Å; T413-V417 VanDerWaalsContact O-CG2 3.31Å; T413-V417 WeakPolarHBondContact O-CG2 3.36Å; T413-V417 PolarHBondContact O-N 3.16Å
414	C	92.3	Very high	95.3	Very high	21 Å²	21	25 Å²	25	14%	0.142	13%	0.125	C	C	.	.	H	α-helix	trans	-67.9	-39.5	176.2	-68	0	0	0	0	112.7	L87 F410 K411 T412 D416 V417 L418	L87-C414 VanDerWaalsContact CB-SG 3.57Å; F410-C414 WeakPolarHBondContact O-CB 3.26Å; F410-C414 PolarHBondContact O-N 2.95Å; F410-C414 PolarHBondContact O-SG 3.37Å; K411-C414 PolarHBondContact O-N 3.04Å; T412-C414 VanDerWaalsContact C-N 3.32Å; T412-C414 PolarHBondContact O-N 3.22Å; C414-D416 VanDerWaalsContact C-N 3.3Å; C414-V417 PolarHBondContact O-N 3.31Å; C414-L418 VanDerWaalsContact O-CG 3.31Å; C414-L418 WeakPolarHBondContact O-CG 3.34Å; C414-L418 PolarHBondContact O-N 3.13Å
415	E	93	Very high	95.3	Very high	80 Å²	80	25.9 Å²	25.9	37%	0.374	13%	0.132	S	C	.	.	H	α-helix	trans	-59.4	-44.2	173.6	-73.5	170.9	164.4	0	0	110.7	R208 K411 T412 L418 D419	R208-E415 IonicContact NH2-OE1 2.8Å; R208-E415 PolarHBondContact NH2-OE1 3.2Å; K411-E415 IonicContact NZ-OE1 2.97Å; K411-E415 PolarHBondContact NZ-OE1 2.91Å; K411-E415 WeakPolarHBondContact O-CG 3.49Å; K411-E415 PolarHBondContact O-N 3.47Å; T412-E415 PolarHBondContact O-N 3.22Å; E415-L418 PolarHBondContact O-N 3.28Å; E415-D419 VanDerWaalsContact O-CB 3.25Å; E415-D419 WeakPolarHBondContact O-CB 3.25Å; E415-D419 PolarHBondContact O-N 3.24Å
416	D	96.2	Very high	95.2	Very high	9 Å²	9	28 Å²	28	5%	0.048	16%	0.16	C	C	.	.	H	α-helix	trans	-64.3	-45.1	178.3	-162.1	51.2	0	0	0	112.2	S401 K402 T412 T413 C414 L418 D419 I420	S401-D416 WeakPolarHBondContact CB-OD2 3.27Å; K402-D416 WeakPolarHBondContact CD-OD1 3.36Å; K402-D416 WeakPolarHBondContact CG-OD1 3.42Å; K402-D416 PolarHBondContact N-OD2 2.88Å; T412-D416 PolarHBondContact O-N 3.04Å; T413-D416 PolarHBondContact O-N 2.82Å; C414-D416 VanDerWaalsContact C-N 3.3Å; D416-L418 PolarHBondContact O-N 3.35Å; D416-D419 PolarHBondContact O-N 3.39Å; D416-I420 WeakPolarHBondContact O-CB 3.43Å; D416-I420 WeakPolarHBondContact O-CD1 3.3Å; D416-I420 WeakPolarHBondContact O-CG1 3.48Å; D416-I420 PolarHBondContact O-N 2.88Å
417	V	95.2	Very high	95	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.024	18%	0.178	C	C	.	.	H	α-helix	trans	-54.6	-49.6	173.6	164.7	0	0	0	0	111.7	T15 I18 V19 M22 T413 C414 F421	T15-V417 HydrophobicContact CG2-CG2 3.77Å; I18-V417 HydrophobicContact CB-CG1 4.17Å; I18-V417 HydrophobicContact CB-CG2 4.04Å; I18-V417 HydrophobicContact CD1-CG2 4.11Å; I18-V417 HydrophobicContact CG2-CB 4.49Å; I18-V417 HydrophobicContact CG2-CG1 3.5Å; I18-V417 HydrophobicContact CG2-CG2 4.16Å; V19-V417 HydrophobicContact CG2-CB 4.45Å; V19-V417 HydrophobicContact CG2-CG1 4.12Å; V19-V417 HydrophobicContact CG2-CG2 4.45Å; M22-V417 HydrophobicContact CE-CG1 4.25Å; M22-V417 HydrophobicContact SD-CG1 3.39Å; M22-V417 WeakPolarHBondContact SD-CG1 3.43Å; T413-V417 VanDerWaalsContact O-CG2 3.31Å; T413-V417 WeakPolarHBondContact O-CG2 3.36Å; T413-V417 PolarHBondContact O-N 3.16Å; C414-V417 PolarHBondContact O-N 3.31Å; V417-F421 WeakPolarHBondContact O-CB 3.36Å; V417-F421 PolarHBondContact O-N 3.28Å
418	L	94.1	Very high	94.7	Very high	51 Å²	51	35.9 Å²	35.9	27%	0.267	20%	0.204	S	C	.	.	H	α-helix	trans	-68.8	-39.2	-177	-69.2	173.6	0	0	0	111.7	M22 C414 E415 D416 F421 Q422 F429 F431	M22-L418 HydrophobicContact CE-CD2 3.94Å; C414-L418 VanDerWaalsContact O-CG 3.31Å; C414-L418 WeakPolarHBondContact O-CG 3.34Å; C414-L418 PolarHBondContact O-N 3.13Å; E415-L418 PolarHBondContact O-N 3.28Å; D416-L418 PolarHBondContact O-N 3.35Å; L418-F421 PolarHBondContact O-N 3.41Å; L418-Q422 WeakPolarHBondContact O-CB 3.43Å; L418-Q422 PolarHBondContact O-N 3.46Å; L418-F429 HydrophobicContact CD2-CB 4.04Å; L418-F431 HydrophobicContact CD2-CE2 4.16Å; L418-F431 HydrophobicContact CD2-CZ 4.01Å
419	D	96	Very high	94.3	Very high	64 Å²	64	36.9 Å²	36.9	34%	0.342	21%	0.208	S	C	.	.	H	α-helix	trans	-62.7	-49.2	175.2	172.9	74.5	0	0	0	111.8	E415 D416 F421 Q422 R423	E415-D419 VanDerWaalsContact O-CB 3.25Å; E415-D419 WeakPolarHBondContact O-CB 3.25Å; E415-D419 PolarHBondContact O-N 3.24Å; D416-D419 PolarHBondContact O-N 3.39Å; D419-F421 VanDerWaalsContact C-N 3.34Å; D419-F421 PolarHBondContact O-N 3.43Å; D419-Q422 PolarHBondContact O-N 2.77Å; D419-R423 WeakPolarHBondContact O-CG 3.33Å; D419-R423 PolarHBondContact O-N 3.26Å; D419-R423 IonicContact OD1-NE 3.37Å; D419-R423 IonicContact OD2-CZ 2.64Å; D419-R423 IonicContact OD2-NE 3.57Å; D419-R423 PolarHBondContact OD2-NE 3.33Å; D419-R423 IonicContact OD2-NH2 3.97Å; D419-R423 PolarHBondContact OD2-NH2 2.65Å
420	I	97.5	Very high	93.7	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-46.3	176.2	-68.8	162.4	0	0	0	110.9	T15 V19 Y281 F399 D416 Q422 G424	T15-I420 HydrophobicContact CG2-CD1 3.75Å; V19-I420 HydrophobicContact CG1-CG2 4.18Å; V19-I420 HydrophobicContact CG2-CB 4.33Å; V19-I420 HydrophobicContact CG2-CG2 4.03Å; Y281-I420 HydrophobicContact CD1-CG2 3.49Å; Y281-I420 VanDerWaalsContact CD1-CG2 3.49Å; Y281-I420 HydrophobicContact CE1-CG2 3.85Å; F399-I420 HydrophobicContact CB-CG2 4.14Å; D416-I420 WeakPolarHBondContact O-CB 3.43Å; D416-I420 WeakPolarHBondContact O-CD1 3.3Å; D416-I420 WeakPolarHBondContact O-CG1 3.48Å; D416-I420 PolarHBondContact O-N 2.88Å; I420-Q422 VanDerWaalsContact C-N 3.35Å; I420-Q422 PolarHBondContact O-N 3.02Å; I420-G424 PolarHBondContact O-N 2.84Å
421	F	96	Very high	93	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-58.7	-49.8	177.5	-178.6	-86.1	0	0	0	110.3	M22 L23 S26 V417 L418 D419 G424 T425 F429	M22-F421 HydrophobicContact CB-CD2 3.71Å; M22-F421 HydrophobicContact CB-CE2 3.81Å; M22-F421 HydrophobicContact CE-CB 3.7Å; M22-F421 HydrophobicContact CE-CD1 4.19Å; M22-F421 HydrophobicContact CE-CD2 3.7Å; M22-F421 HydrophobicContact CE-CE2 4.4Å; M22-F421 HydrophobicContact CE-CG 3.58Å; L23-F421 HydrophobicContact CD2-CD2 4.2Å; L23-F421 HydrophobicContact CD2-CE2 4.06Å; L23-F421 HydrophobicContact CG-CD2 4.42Å; L23-F421 HydrophobicContact CG-CE2 4.45Å; S26-F421 WeakPolarHBondContact OG-CZ 3.35Å; V417-F421 WeakPolarHBondContact O-CB 3.36Å; V417-F421 PolarHBondContact O-N 3.28Å; L418-F421 PolarHBondContact O-N 3.41Å; D419-F421 VanDerWaalsContact C-N 3.34Å; D419-F421 PolarHBondContact O-N 3.43Å; F421-G424 PolarHBondContact O-N 3.18Å; F421-T425 HydrophobicContact CD1-CG2 4.28Å; F421-T425 HydrophobicContact CD2-CG2 4.17Å; F421-T425 HydrophobicContact CE1-CG2 3.93Å; F421-T425 WeakPolarHBondContact CE1-OG1 2.93Å; F421-T425 HydrophobicContact CE2-CG2 3.83Å; F421-T425 HydrophobicContact CG-CG2 4.39Å; F421-T425 HydrophobicContact CZ-CG2 3.68Å; F421-T425 WeakPolarHBondContact O-CG2 3.44Å; F421-T425 PolarHBondContact O-N 2.92Å; F421-T425 PolarHBondContact O-OG1 3.23Å; F421-F429 HydrophobicContact CD1-CB 3.75Å; F421-F429 HydrophobicContact CD1-CD2 4.19Å; F421-F429 HydrophobicContact CD1-CG 4.48Å; F421-F429 HydrophobicContact CD2-CD2 4.33Å; F421-F429 HydrophobicContact CE1-CB 3.84Å; F421-F429 AromaticContact CE1-CD2 3.76Å; F421-F429 HydrophobicContact CE1-CD2 3.76Å; F421-F429 HydrophobicContact CE1-CG 4.32Å; F421-F429 AromaticContact CE2-CD2 3.9Å; F421-F429 HydrophobicContact CE2-CD2 3.9Å; F421-F429 HydrophobicContact CE2-CE2 4.44Å; F421-F429 HydrophobicContact CG-CB 4.39Å; F421-F429 HydrophobicContact CG-CD2 4.47Å; F421-F429 AromaticContact CZ-CD2 3.6Å; F421-F429 HydrophobicContact CZ-CD2 3.6Å; F421-F429 HydrophobicContact CZ-CE2 4.37Å
422	Q	96.6	Very high	92	Very high	98 Å²	98	43.9 Å²	43.9	46%	0.458	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-45	-178.2	-178.9	177.3	-3.7	0	0	112.8	L418 D419 I420 G424 G426 E427	L418-Q422 WeakPolarHBondContact O-CB 3.43Å; L418-Q422 PolarHBondContact O-N 3.46Å; D419-Q422 PolarHBondContact O-N 2.77Å; I420-Q422 VanDerWaalsContact C-N 3.35Å; I420-Q422 PolarHBondContact O-N 3.02Å; Q422-G424 VanDerWaalsContact C-N 3.28Å; Q422-G424 PolarHBondContact O-N 2.76Å; Q422-G426 VanDerWaalsContact O-CA 3.25Å; Q422-G426 WeakPolarHBondContact O-CA 3.3Å; Q422-G426 PolarHBondContact O-N 2.84Å; Q422-E427 WeakPolarHBondContact CA-O 3.48Å
423	R	97	Very high	90.7	Very high	39 Å²	39	48.9 Å²	48.9	15%	0.147	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-38.8	175.8	-71.9	-175.4	-71.6	108.2	-4	111.7	D392 T394 F399 D419	D392-R423 WeakPolarHBondContact O-CD 3.47Å; D392-R423 PolarHBondContact O-NH1 3.15Å; T394-R423 HydrophobicContact CG2-CB 4.48Å; F399-R423 HydrophobicContact CD1-CB 4Å; F399-R423 VanDerWaalsContact CE1-C 3.49Å; F399-R423 HydrophobicContact CE1-CB 4.02Å; F399-R423 WeakPolarHBondContact CE1-O 3.27Å; D419-R423 WeakPolarHBondContact O-CG 3.33Å; D419-R423 PolarHBondContact O-N 3.26Å; D419-R423 IonicContact OD1-NE 3.37Å; D419-R423 IonicContact OD2-CZ 2.64Å; D419-R423 IonicContact OD2-NE 3.57Å; D419-R423 PolarHBondContact OD2-NE 3.33Å; D419-R423 IonicContact OD2-NH2 3.97Å; D419-R423 PolarHBondContact OD2-NH2 2.65Å
424	G	97.3	Very high	89.1	Confident	5 Å²	5	49.3 Å²	49.3	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-69.1	-43.6	179.8	0	0	0	0	0	114.4	Q279 Y281 F399 I420 F421 Q422	Q279-G424 PolarHBondContact NE2-O 3.42Å; Y281-G424 VanDerWaalsContact OH-CA 3.27Å; Y281-G424 WeakPolarHBondContact OH-CA 3.25Å; F399-G424 VanDerWaalsContact CZ-CA 3.5Å; I420-G424 PolarHBondContact O-N 2.84Å; F421-G424 PolarHBondContact O-N 3.18Å; Q422-G424 VanDerWaalsContact C-N 3.28Å; Q422-G424 PolarHBondContact O-N 2.76Å
425	T	95.8	Very high	87.2	Confident	34 Å²	34	52.8 Å²	52.8	21%	0.209	30%	0.299	C	S	.	.	H	α-helix	trans	-97.4	-18.4	-174.3	64	0	0	0	0	113.4	L23 F421 E427	L23-T425 HydrophobicContact CD2-CG2 3.73Å; F421-T425 HydrophobicContact CD1-CG2 4.28Å; F421-T425 HydrophobicContact CD2-CG2 4.17Å; F421-T425 HydrophobicContact CE1-CG2 3.93Å; F421-T425 WeakPolarHBondContact CE1-OG1 2.93Å; F421-T425 HydrophobicContact CE2-CG2 3.83Å; F421-T425 HydrophobicContact CG-CG2 4.39Å; F421-T425 HydrophobicContact CZ-CG2 3.68Å; F421-T425 WeakPolarHBondContact O-CG2 3.44Å; F421-T425 PolarHBondContact O-N 2.92Å; F421-T425 PolarHBondContact O-OG1 3.23Å; T425-E427 PolarHBondContact OG1-N 3Å; T425-E427 PolarHBondContact OG1-O 3.27Å
426	G	95.1	Very high	85.1	Confident	70 Å²	70	56.1 Å²	56.1	72%	0.722	32%	0.315	S	S	*	.	S	Bend	trans	78.3	1.8	-171.7	0	0	0	0	0	114.1	Q422	Q422-G426 VanDerWaalsContact O-CA 3.25Å; Q422-G426 WeakPolarHBondContact O-CA 3.3Å; Q422-G426 PolarHBondContact O-N 2.84Å
427	E	92.7	Very high	82.6	Confident	84 Å²	84	59.9 Å²	59.9	39%	0.393	33%	0.334	S	S	.	.	S	Bend	trans	-133.2	142.9	179.6	60.5	175.4	178.8	0	0	111.8	Q422 T425 K433	Q422-E427 WeakPolarHBondContact CA-O 3.48Å; T425-E427 PolarHBondContact OG1-N 3Å; T425-E427 PolarHBondContact OG1-O 3.27Å; E427-K433 IonicContact OE2-NZ 3.09Å
428	P	91.1	Very high	79.6	Confident	86 Å²	86	67 Å²	67	56%	0.558	37%	0.367	S	S	*	.			trans	-62.7	147.8	172.4	29.2	-34.9	0	0	0	109.8	D430	P428-D430 PolarHBondContact O-N 3.18Å
429	F	87.5	Confident	76.9	Confident	21 Å²	21	70.1 Å²	70.1	9%	0.092	38%	0.384	C	S	.	.			trans	-66.4	119.8	175.1	-172.3	-102.8	0	0	0	110.6	M22 L90 L418 F421 F431 I434	M22-F429 HydrophobicContact CB-CD2 4.17Å; M22-F429 HydrophobicContact CB-CE2 3.83Å; M22-F429 HydrophobicContact CB-CZ 4.5Å; M22-F429 HydrophobicContact CE-CB 3.55Å; M22-F429 HydrophobicContact CE-CD1 3.96Å; M22-F429 HydrophobicContact CE-CD2 3.43Å; M22-F429 VanDerWaalsContact CE-CD2 3.43Å; M22-F429 HydrophobicContact CE-CE1 4.49Å; M22-F429 HydrophobicContact CE-CE2 4.04Å; M22-F429 HydrophobicContact CE-CG 3.37Å; M22-F429 HydrophobicContact CG-CD2 4.24Å; M22-F429 HydrophobicContact CG-CE2 3.88Å; M22-F429 HydrophobicContact CG-CZ 4.1Å; L90-F429 HydrophobicContact CD1-CE1 3.61Å; L90-F429 HydrophobicContact CD1-CZ 3.65Å; L418-F429 HydrophobicContact CD2-CB 4.04Å; F421-F429 HydrophobicContact CD1-CB 3.75Å; F421-F429 HydrophobicContact CD1-CD2 4.19Å; F421-F429 HydrophobicContact CD1-CG 4.48Å; F421-F429 HydrophobicContact CD2-CD2 4.33Å; F421-F429 HydrophobicContact CE1-CB 3.84Å; F421-F429 AromaticContact CE1-CD2 3.76Å; F421-F429 HydrophobicContact CE1-CD2 3.76Å; F421-F429 HydrophobicContact CE1-CG 4.32Å; F421-F429 AromaticContact CE2-CD2 3.9Å; F421-F429 HydrophobicContact CE2-CD2 3.9Å; F421-F429 HydrophobicContact CE2-CE2 4.44Å; F421-F429 HydrophobicContact CG-CB 4.39Å; F421-F429 HydrophobicContact CG-CD2 4.47Å; F421-F429 AromaticContact CZ-CD2 3.6Å; F421-F429 HydrophobicContact CZ-CD2 3.6Å; F421-F429 HydrophobicContact CZ-CE2 4.37Å; F429-F431 HydrophobicContact CD1-CD1 4.12Å; F429-F431 HydrophobicContact CD1-CD2 4Å; F429-F431 HydrophobicContact CD1-CE1 4.04Å; F429-F431 AromaticContact CD1-CE2 3.9Å; F429-F431 HydrophobicContact CD1-CE2 3.9Å; F429-F431 HydrophobicContact CD1-CG 4.1Å; F429-F431 AromaticContact CD1-CZ 3.91Å; F429-F431 HydrophobicContact CD1-CZ 3.91Å; F429-F431 AromaticContact CE1-CD1 3.97Å; F429-F431 HydrophobicContact CE1-CD1 3.97Å; F429-F431 HydrophobicContact CE1-CE1 4.06Å; F429-F431 HydrophobicContact CE1-CG 4.26Å; F429-F431 HydrophobicContact CE1-CZ 4.4Å; F429-F431 PolarHBondContact O-N 2.93Å; F429-I434 HydrophobicContact CE1-CD1 3.68Å; F429-I434 HydrophobicContact CZ-CD1 3.63Å; F429-I434 HydrophobicContact CZ-CG1 4.25Å
430	D	83.3	Confident	74.2	Confident	63 Å²	63	73.8 Å²	73.8	34%	0.337	40%	0.403	S	S	.	.			trans	-92.1	100.2	179.4	-173.8	-6.9	0	0	0	110.6	P428 S432 K433	P428-D430 PolarHBondContact O-N 3.18Å; D430-S432 VanDerWaalsContact CG-OG 3.25Å; D430-S432 PolarHBondContact O-N 3.06Å; D430-S432 VanDerWaalsContact O-N 3.13Å; D430-S432 WeakPolarHBondContact OD1-CA 3.19Å; D430-S432 VanDerWaalsContact OD1-CB 3.26Å; D430-S432 WeakPolarHBondContact OD1-CB 3.45Å; D430-S432 PolarHBondContact OD1-N 2.95Å; D430-S432 PolarHBondContact OD1-OG 3.02Å; D430-S432 PolarHBondContact OD2-OG 3.2Å; D430-K433 HydrophobicContact CB-CB 4.41Å; D430-K433 HydrophobicContact CB-CD 3.87Å; D430-K433 HydrophobicContact CB-CG 3.93Å; D430-K433 PolarHBondContact O-N 3.26Å; D430-K433 VanDerWaalsContact O-N 3.16Å; D430-K433 WeakPolarHBondContact OD2-CE 3.39Å; D430-K433 WeakPolarHBondContact OD2-CG 3.27Å
431	F	76.8	Confident	71.1	Confident	55 Å²	55	82 Å²	82	24%	0.241	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-60.1	-20.2	176.5	-69.5	-90.8	0	0	0	113.5	E86 K89 L90 L418 F429	E86-F431 HydrophobicContact CB-CE1 4.23Å; E86-F431 HydrophobicContact CB-CE2 4.49Å; E86-F431 HydrophobicContact CB-CZ 3.78Å; E86-F431 HydrophobicContact CG-CZ 4.31Å; E86-F431 WeakPolarHBondContact O-CE1 3.31Å; K89-F431 HydrophobicContact CB-CD1 4.34Å; L90-F431 HydrophobicContact CB-CE1 4.09Å; L418-F431 HydrophobicContact CD2-CE2 4.16Å; L418-F431 HydrophobicContact CD2-CZ 4.01Å; F429-F431 HydrophobicContact CD1-CD1 4.12Å; F429-F431 HydrophobicContact CD1-CD2 4Å; F429-F431 HydrophobicContact CD1-CE1 4.04Å; F429-F431 AromaticContact CD1-CE2 3.9Å; F429-F431 HydrophobicContact CD1-CE2 3.9Å; F429-F431 HydrophobicContact CD1-CG 4.1Å; F429-F431 AromaticContact CD1-CZ 3.91Å; F429-F431 HydrophobicContact CD1-CZ 3.91Å; F429-F431 AromaticContact CE1-CD1 3.97Å; F429-F431 HydrophobicContact CE1-CD1 3.97Å; F429-F431 HydrophobicContact CE1-CE1 4.06Å; F429-F431 HydrophobicContact CE1-CG 4.26Å; F429-F431 HydrophobicContact CE1-CZ 4.4Å; F429-F431 PolarHBondContact O-N 2.93Å
432	S	72.1	Confident	68	Low	98 Å²	98	87.5 Å²	87.5	69%	0.685	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-80	-22.2	179.1	78.1	0	0	0	0	113.6	D430 I434	D430-S432 VanDerWaalsContact CG-OG 3.25Å; D430-S432 PolarHBondContact O-N 3.06Å; D430-S432 VanDerWaalsContact O-N 3.13Å; D430-S432 WeakPolarHBondContact OD1-CA 3.19Å; D430-S432 VanDerWaalsContact OD1-CB 3.26Å; D430-S432 WeakPolarHBondContact OD1-CB 3.45Å; D430-S432 PolarHBondContact OD1-N 2.95Å; D430-S432 PolarHBondContact OD1-OG 3.02Å; D430-S432 PolarHBondContact OD2-OG 3.2Å; S432-I434 PolarHBondContact O-N 2.64Å
433	K	65.5	Low	65.1	Low	134 Å²	134	94.8 Å²	94.8	58%	0.583	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-70.5	-11.9	177.2	-74.1	179.5	-169.6	173.2	0	113.3	E427 D430 S435	E427-K433 IonicContact OE2-NZ 3.09Å; D430-K433 HydrophobicContact CB-CB 4.41Å; D430-K433 HydrophobicContact CB-CD 3.87Å; D430-K433 HydrophobicContact CB-CG 3.93Å; D430-K433 PolarHBondContact O-N 3.26Å; D430-K433 VanDerWaalsContact O-N 3.16Å; D430-K433 WeakPolarHBondContact OD2-CE 3.39Å; D430-K433 WeakPolarHBondContact OD2-CG 3.27Å; K433-S435 PolarHBondContact O-N 3.48Å
434	I	60.8	Low	63.5	Low	15 Å²	15	97.6 Å²	97.6	8%	0.077	53%	0.527	C	S	.	.			trans	-82.6	90.2	-180	-50.4	169.1	0	0	0	107.9	L90 S93 T94 F429 S432 H436	L90-I434 HydrophobicContact CD1-CD1 4.13Å; S93-I434 VanDerWaalsContact CB-CG2 3.47Å; S93-I434 WeakPolarHBondContact O-CG2 3.43Å; S93-I434 WeakPolarHBondContact OG-CD1 3.42Å; T94-I434 HydrophobicContact CG2-CD1 4.42Å; F429-I434 HydrophobicContact CE1-CD1 3.68Å; F429-I434 HydrophobicContact CZ-CD1 3.63Å; F429-I434 HydrophobicContact CZ-CG1 4.25Å; S432-I434 PolarHBondContact O-N 2.64Å; I434-H436 PolarHBondContact O-N 3.06Å
435	S	52.1	Low	61.7	Low	93 Å²	93	102.5 Å²	102.5	65%	0.65	55%	0.553	S	S	*	*			trans	-59.6	124.6	169.8	56.6	0	0	0	0	108.4	K433 L437	K433-S435 PolarHBondContact O-N 3.48Å; S435-L437 PolarHBondContact O-N 2.92Å
436	H	48.7	Very low	59.8	Low	151 Å²	151	106.3 Å²	106.3	70%	0.699	57%	0.572	S	S	*	*			trans	-45.8	112.9	169.4	-66.1	-68.7	0	0	0	108.5	I434 Q438	I434-H436 PolarHBondContact O-N 3.06Å; H436-Q438 PolarHBondContact O-N 3.19Å
437	L	43.1	Very low	57.7	Low	87 Å²	87	108.4 Å²	108.4	46%	0.455	56%	0.563	S	S	.	*			trans	-57.7	101.5	153.6	-79.1	161.1	0	0	0	103.7	R98 S435 L439	R98-L437 PolarHBondContact NH2-O 2.76Å; S435-L437 PolarHBondContact O-N 2.92Å; L437-L439 PolarHBondContact O-N 2.82Å
438	Q	33.4	Very low	55.5	Low	154 Å²	154	109.9 Å²	109.9	72%	0.72	57%	0.573	S	S	*	*			trans	-57.5	138.7	176.3	-74.2	-175.8	-17.9	0	0	107.4	R98 H436 D440	R98-Q438 PolarHBondContact NH2-O 3.04Å; H436-Q438 PolarHBondContact O-N 3.19Å; Q438-D440 PolarHBondContact O-N 2.79Å
439	L	37.4	Very low	53.2	Low	117 Å²	117	111.5 Å²	111.5	61%	0.613	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	1.6	-174.3	-87.5	158	0	0	0	113.5	R98 L437	R98-L439 HydrophobicContact CG-CD2 3.94Å; R98-L439 VanDerWaalsContact CZ-CD2 3.49Å; R98-L439 VanDerWaalsContact NE-CD2 3.29Å; L437-L439 PolarHBondContact O-N 2.82Å
440	D	39.1	Very low	50.7	Low	140 Å²	140	118 Å²	118	75%	0.749	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	5.2	-168.9	-66.4	-11.4	0	0	0	114.9	Q438	Q438-D440 PolarHBondContact O-N 2.79Å
441	E	32.7	Very low	48.2	Very low	178 Å²	178	122.2 Å²	122.2	83%	0.832	63%	0.63	S	S	*	*	S	Bend	trans	-97.2	10.1	177.3	-72.2	-167.4	161.8	0	0	115.1
442	T	30.6	Very low	45.8	Very low	116 Å²	116	127.8 Å²	127.8	71%	0.712	66%	0.662	S	S	*	*			trans	-136.5	41.5	174.5	59.6	0	0	0	0	114.6
443	Q	34.4	Very low	43.4	Very low	251 Å²	251	130.5 Å²	130.5	100%	1.173	66%	0.66	S	S	*	*			trans	-119	0	151.1	-70.3	-170.7	17.1	0	0	108.4

Retrieved 443 of 443 residues in 188.7 ms (Link to these results)

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