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Rab GDP dissociation inhibitor

GDP-dissociation inhibitor preventing the GDP to GTP exchange of most Rab proteins. By keeping these small GTPases in their inactive GDP-bound form regulates intracellular membrane trafficking. Negatively regulates protein transport to the cilium and ciliogenesis through the inhibition of RAB8A. 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 A0A087XI82, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 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	52.8	Low	87.9	Confident	48 Å²	48	42.6 Å²	42.6	24%	0.236	21%	0.212	C	C	.	.				0	72.5	0	-78.8	-177.5	-95.4	0	0	111	E3 M250 K253 E273 I274	M1-E3 VanDerWaalsContact C-N 3.33Å; M1-M250 HydrophobicContact CE-CE 4.21Å; M1-M250 HydrophobicContact CE-SD 3.81Å; M1-M250 HydrophobicContact CG-CE 4.48Å; M1-M250 HydrophobicContact SD-CE 3.49Å; M1-M250 WeakPolarHBondContact SD-CE 3.46Å; M1-M250 HydrophobicContact SD-SD 3.62Å; M1-M250 VanDerWaalsContact SD-SD 3.62Å; M1-K253 HydrophobicContact CE-CD 4.5Å; M1-K253 VanDerWaalsContact CE-CE 3.44Å; M1-E273 HydrophobicContact CB-CB 4.36Å; M1-E273 VanDerWaalsContact CB-OE2 3.3Å; M1-E273 WeakPolarHBondContact CB-OE2 3.47Å; M1-E273 PolarHBondContact N-OE1 3.09Å; M1-E273 PolarHBondContact N-OE2 3.45Å; M1-I274 CarbonylContact O-C 3.49Å
2	N	54.7	Low	88.6	Confident	152 Å²	152	39.2 Å²	39.2	81%	0.813	19%	0.194	S	C	*	.			trans	-102	46.5	168.6	-73.4	-16.5	0	0	0	110
3	E	81.7	Confident	89.1	Confident	100 Å²	100	36.2 Å²	36.2	47%	0.467	18%	0.18	S	C	.	.			trans	-103.6	144	178.4	-70.1	-166.7	-167.1	0	0	110.5	M1 Y5 K29 R276	M1-E3 VanDerWaalsContact C-N 3.33Å; E3-Y5 HydrophobicContact CB-CE2 3.74Å; E3-Y5 WeakPolarHBondContact O-CD2 3.24Å; E3-K29 IonicContact OE2-NZ 2.74Å; E3-K29 PolarHBondContact OE2-NZ 3.24Å; E3-R276 PolarHBondContact O-N 2.86Å
4	E	92.8	Very high	89.4	Confident	125 Å²	125	33.9 Å²	33.9	58%	0.584	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91	135.6	171.8	-167.2	-179	159.8	0	0	109.6	K29 R276	E4-K29 WeakPolarHBondContact O-CD 3.46Å; E4-K29 PolarHBondContact O-NZ 3.26Å; E4-R276 HydrophobicContact CG-CB 4.32Å
5	Y	96.6	Very high	89.8	Confident	7 Å²	7	31.7 Å²	31.7	3%	0.027	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.5	177.5	-63.1	-91.1	0	0	0	109.6	E3 K29 L31 A275 R276 C277	E3-Y5 HydrophobicContact CB-CE2 3.74Å; E3-Y5 WeakPolarHBondContact O-CD2 3.24Å; Y5-K29 HydrophobicContact CD1-CD 4.05Å; Y5-K29 HydrophobicContact CD1-CG 3.85Å; Y5-K29 HydrophobicContact CE1-CD 4.37Å; Y5-K29 HydrophobicContact CE1-CG 4.34Å; Y5-L31 HydrophobicContact CD1-CB 3.51Å; Y5-L31 HydrophobicContact CD2-CB 3.97Å; Y5-L31 HydrophobicContact CD2-CD2 4.06Å; Y5-L31 HydrophobicContact CE1-CB 3.56Å; Y5-L31 HydrophobicContact CE1-CG 4.47Å; Y5-L31 HydrophobicContact CE2-CB 4.01Å; Y5-L31 HydrophobicContact CE2-CD2 3.7Å; Y5-L31 HydrophobicContact CE2-CG 4.38Å; Y5-L31 HydrophobicContact CG-CB 3.73Å; Y5-A275 HydrophobicContact CD2-CB 4.34Å; Y5-A275 HydrophobicContact CE2-CB 4.18Å; Y5-R276 PolarHBondContact N-O 2.77Å; Y5-C277 VanDerWaalsContact O-CA 3.29Å; Y5-C277 WeakPolarHBondContact O-CA 3.29Å
6	D	97.2	Very high	90.3	Very high	36 Å²	36	29.9 Å²	29.9	19%	0.193	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-42.7	171.1	-69.7	-54.7	0	0	0	110.3	K28 K29 K278 Q279	D6-K28 HydrophobicContact CB-CB 4.06Å; D6-K28 HydrophobicContact CB-CD 4.03Å; D6-K29 PolarHBondContact N-O 3.41Å; D6-K29 PolarHBondContact OD2-N 3.42Å; D6-K278 WeakPolarHBondContact O-CB 3.48Å; D6-K278 PolarHBondContact O-N 2.92Å; D6-K278 IonicContact OD1-NZ 3.66Å; D6-K278 PolarHBondContact OD1-NZ 3.01Å; D6-Q279 PolarHBondContact O-N 3.4Å
7	V	98	Very high	90.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.8	-177.5	-173.1	0	0	0	0	109.6	V9 M23 K29 V30 L31 Q279 I281 M424	V7-V9 HydrophobicContact CG1-CG2 4.05Å; V7-M23 HydrophobicContact CG2-CG 4.5Å; V7-K29 PolarHBondContact N-O 3.03Å; V7-V30 HydrophobicContact CB-CG2 4.46Å; V7-V30 WeakPolarHBondContact O-CA 3.45Å; V7-L31 PolarHBondContact O-N 2.92Å; V7-L31 VanDerWaalsContact O-N 3.08Å; V7-Q279 WeakPolarHBondContact CA-O 3.36Å; V7-I281 HydrophobicContact CG1-CD1 3.98Å; V7-I281 HydrophobicContact CG1-CG1 3.95Å; V7-M424 HydrophobicContact CG1-CE 4.13Å; V7-M424 HydrophobicContact CG2-CE 4.3Å
8	I	98.5	Very high	90.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.4	162	-71	171.2	0	0	0	108.4	L10 L31 M33 V268 A275 C277 Q279 L280 I281	I8-L10 HydrophobicContact CG2-CD2 3.79Å; I8-L10 HydrophobicContact CG2-CG 4.33Å; I8-L31 CarbonylContact C-O 3.59Å; I8-L31 VanDerWaalsContact CA-O 3.27Å; I8-L31 WeakPolarHBondContact CA-O 3.38Å; I8-L31 HydrophobicContact CD1-CD2 4.28Å; I8-L31 HydrophobicContact CG1-CB 4.11Å; I8-L31 HydrophobicContact CG1-CD2 4.2Å; I8-L31 HydrophobicContact CG1-CG 4.49Å; I8-M33 HydrophobicContact CG2-CE 3.79Å; I8-V268 HydrophobicContact CB-CG2 4.47Å; I8-V268 HydrophobicContact CD1-CB 4.21Å; I8-V268 HydrophobicContact CD1-CG2 4.09Å; I8-V268 HydrophobicContact CG2-CB 4.47Å; I8-V268 HydrophobicContact CG2-CG2 3.85Å; I8-A275 HydrophobicContact CD1-CB 3.86Å; I8-A275 WeakPolarHBondContact CD1-O 3.43Å; I8-C277 HydrophobicContact CB-CB 4.12Å; I8-C277 HydrophobicContact CD1-CB 3.62Å; I8-C277 HydrophobicContact CG1-CB 3.62Å; I8-Q279 PolarHBondContact N-O 3.32Å; I8-L280 HydrophobicContact CB-CD1 3.89Å; I8-L280 HydrophobicContact CG2-CD1 3.66Å; I8-L280 CarbonylContact O-C 3.58Å; I8-L280 WeakPolarHBondContact O-CA 3.28Å; I8-L280 WeakPolarHBondContact O-CD1 3.43Å; I8-I281 PolarHBondContact O-N 3.39Å
9	V	98.5	Very high	90.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.3	176.8	-174	0	0	0	0	108.8	V7 E16 V30 L31 H32 M33 I281	V7-V9 HydrophobicContact CG1-CG2 4.05Å; V9-E16 HydrophobicContact CG1-CB 3.66Å; V9-E16 HydrophobicContact CG1-CG 4.09Å; V9-V30 HydrophobicContact CG2-CG1 3.88Å; V9-L31 PolarHBondContact N-O 2.84Å; V9-H32 HydrophobicContact CB-CB 4.32Å; V9-H32 VanDerWaalsContact CG1-CE1 3.48Å; V9-H32 WeakPolarHBondContact CG1-CE1 3.49Å; V9-H32 CarbonylContact O-C 3.48Å; V9-H32 WeakPolarHBondContact O-CA 3.31Å; V9-M33 PolarHBondContact O-N 2.81Å; V9-I281 CarbonylContact C-O 3.6Å; V9-I281 VanDerWaalsContact CA-O 3.31Å; V9-I281 WeakPolarHBondContact CA-O 3.38Å; V9-I281 HydrophobicContact CG1-CB 4.22Å; V9-I281 HydrophobicContact CG1-CG2 4.47Å; V9-I281 HydrophobicContact CG2-CB 4.2Å; V9-I281 HydrophobicContact CG2-CD1 4.12Å; V9-I281 HydrophobicContact CG2-CG1 4.41Å
10	L	98.4	Very high	91.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124	179	-52.2	179.3	0	0	0	111	I8 M33 I255 I258 V268 L280 I281 C282 D283 Y286	I8-L10 HydrophobicContact CG2-CD2 3.79Å; I8-L10 HydrophobicContact CG2-CG 4.33Å; L10-M33 CarbonylContact C-O 3.55Å; L10-M33 WeakPolarHBondContact CA-O 3.38Å; L10-M33 HydrophobicContact CD2-CB 4.13Å; L10-M33 HydrophobicContact CD2-CE 3.69Å; L10-I255 HydrophobicContact CD1-CG1 4.47Å; L10-I255 HydrophobicContact CD1-CG2 4.33Å; L10-I255 HydrophobicContact CD2-CD1 3.91Å; L10-I255 HydrophobicContact CD2-CG1 4.14Å; L10-I258 HydrophobicContact CD1-CD1 4.27Å; L10-I258 HydrophobicContact CD1-CG1 4.33Å; L10-V268 HydrophobicContact CD1-CG1 4.47Å; L10-V268 HydrophobicContact CD1-CG2 4.32Å; L10-V268 HydrophobicContact CD2-CG1 4.26Å; L10-V268 HydrophobicContact CD2-CG2 4.45Å; L10-L280 HydrophobicContact CD1-CD1 3.89Å; L10-L280 HydrophobicContact CD1-CD2 4.28Å; L10-L280 HydrophobicContact CG-CD1 3.78Å; L10-I281 PolarHBondContact N-O 3.47Å; L10-C282 HydrophobicContact CB-CB 3.85Å; L10-C282 HydrophobicContact CD1-CB 4.47Å; L10-C282 HydrophobicContact CG-CB 4.46Å; L10-C282 VanDerWaalsContact O-CA 3.31Å; L10-C282 WeakPolarHBondContact O-CA 3.26Å; L10-D283 PolarHBondContact O-N 3.15Å; L10-Y286 HydrophobicContact CB-CD1 3.74Å; L10-Y286 HydrophobicContact CB-CD2 3.91Å; L10-Y286 HydrophobicContact CB-CE1 3.81Å; L10-Y286 HydrophobicContact CB-CE2 3.98Å; L10-Y286 HydrophobicContact CB-CG 3.79Å; L10-Y286 HydrophobicContact CD1-CD1 3.77Å; L10-Y286 HydrophobicContact CD1-CE1 4.38Å; L10-Y286 HydrophobicContact CD1-CG 4.12Å; L10-Y286 HydrophobicContact CG-CD1 4.33Å
11	G	97.3	Very high	91	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	91.6	134.7	-176.3	0	0	0	0	0	111.5	G13 E16 H32 M33 Y286	G11-G13 VanDerWaalsContact C-N 3.34Å; G11-E16 WeakPolarHBondContact O-CB 3.45Å; G11-E16 WeakPolarHBondContact O-CG 3.46Å; G11-H32 PolarHBondContact O-NE2 2.62Å; G11-M33 PolarHBondContact N-O 3.3Å; G11-Y286 PolarHBondContact N-OH 2.74Å
12	T	96.4	Very high	92.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.102	C	C	.	.			trans	-100.9	32.3	-176.6	57.1	0	0	0	0	112.5	D34 Y39 G40 Y249 L251	T12-D34 WeakPolarHBondContact CB-OD2 3.4Å; T12-D34 HydrophobicContact CG2-CB 3.83Å; T12-D34 PolarHBondContact N-OD2 3.36Å; T12-D34 PolarHBondContact OG1-OD2 3.48Å; T12-Y39 HydrophobicContact CG2-CD1 3.76Å; T12-Y39 HydrophobicContact CG2-CE1 4.11Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.24Å; T12-G40 WeakPolarHBondContact O-CA 3.25Å; T12-G40 PolarHBondContact O-N 2.85Å; T12-G40 VanDerWaalsContact O-N 3.13Å; T12-G40 PolarHBondContact OG1-N 3.46Å; T12-Y249 HydrophobicContact CG2-CD1 4.41Å; T12-Y249 HydrophobicContact CG2-CE1 4.25Å; T12-L251 HydrophobicContact CG2-CD2 4.11Å
13	G	95.4	Very high	94.5	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.01	7%	0.065	C	C	.	.			trans	-58.1	158	166.7	0	0	0	0	0	111	G11 T15 E16 C17	G11-G13 VanDerWaalsContact C-N 3.34Å; G13-T15 VanDerWaalsContact C-N 3.29Å; G13-T15 PolarHBondContact O-N 3.3Å; G13-E16 WeakPolarHBondContact CA-OE2 3.43Å; G13-E16 PolarHBondContact O-N 3.04Å; G13-C17 WeakPolarHBondContact O-CB 3.45Å; G13-C17 PolarHBondContact O-N 2.71Å
14	L	93.2	Very high	94.9	Very high	4 Å²	4	8.8 Å²	8.8	2%	0.021	4%	0.043	C	C	.	.	H	α-helix	trans	-56.7	-41.9	179.7	-177.4	62.6	0	0	0	112.8	C17 I18 L87 L234 Y404 F410	L14-C17 PolarHBondContact O-N 3.06Å; L14-I18 HydrophobicContact CD1-CD1 3.77Å; L14-I18 HydrophobicContact CD1-CG1 4.11Å; L14-I18 HydrophobicContact CD2-CD1 4.31Å; L14-I18 HydrophobicContact CG-CD1 3.67Å; L14-I18 HydrophobicContact CG-CG1 4.42Å; L14-I18 WeakPolarHBondContact O-CD1 3.47Å; L14-I18 VanDerWaalsContact O-CG1 3.32Å; L14-I18 WeakPolarHBondContact O-CG1 3.26Å; L14-I18 PolarHBondContact O-N 3.31Å; L14-L87 HydrophobicContact CD2-CD2 4.44Å; L14-L234 HydrophobicContact CD1-CB 3.54Å; L14-L234 HydrophobicContact CD1-CD1 3.9Å; L14-L234 HydrophobicContact CD1-CG 4.22Å; L14-L234 HydrophobicContact CD2-CD1 4.08Å; L14-Y404 PolarHBondContact N-OH 2.98Å; L14-F410 HydrophobicContact CD2-CD1 3.79Å; L14-F410 HydrophobicContact CD2-CE1 3.15Å; L14-F410 HydrophobicContact CD2-CE2 4.31Å; L14-F410 HydrophobicContact CD2-CZ 3.43Å; L14-F410 VanDerWaalsContact CD2-CZ 3.43Å
15	T	96.1	Very high	94.5	Very high	1 Å²	1	3 Å²	3	1%	0.006	2%	0.016	C	C	.	.	H	α-helix	trans	-56.6	-51.8	177.1	-61.6	0	0	0	0	111.3	G13 I18 L19 Y404 T413 I417 I420	G13-T15 VanDerWaalsContact C-N 3.29Å; G13-T15 PolarHBondContact O-N 3.3Å; T15-I18 PolarHBondContact O-N 3.41Å; T15-L19 HydrophobicContact CG2-CD1 4Å; T15-L19 WeakPolarHBondContact O-CG 3.41Å; T15-L19 PolarHBondContact O-N 3Å; T15-L19 VanDerWaalsContact O-N 3.07Å; T15-Y404 PolarHBondContact N-OH 3.34Å; T15-T413 WeakPolarHBondContact OG1-CG2 3.47Å; T15-I417 HydrophobicContact CG2-CG1 3.87Å; T15-I420 HydrophobicContact CG2-CD1 3.7Å
16	E	97.2	Very high	94	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.009	3%	0.026	C	C	.	.	H	α-helix	trans	-63.4	-43.6	179.9	-71.8	64.5	-129.8	0	0	111.6	V9 G11 G13 L19 S20 I281 S401	V9-E16 HydrophobicContact CG1-CB 3.66Å; V9-E16 HydrophobicContact CG1-CG 4.09Å; G11-E16 WeakPolarHBondContact O-CB 3.45Å; G11-E16 WeakPolarHBondContact O-CG 3.46Å; G13-E16 WeakPolarHBondContact CA-OE2 3.43Å; G13-E16 PolarHBondContact O-N 3.04Å; E16-L19 PolarHBondContact O-N 3.38Å; E16-S20 WeakPolarHBondContact O-CB 3.29Å; E16-S20 PolarHBondContact O-N 2.94Å; E16-I281 HydrophobicContact CG-CG2 4.4Å; E16-S401 WeakPolarHBondContact OE1-CB 3.08Å; E16-S401 PolarHBondContact OE1-OG 3.29Å
17	C	94.8	Very high	93.6	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.9	-43	177.4	-83.4	0	0	0	0	112.7	G13 L14 S20 G21 F238	G13-C17 WeakPolarHBondContact O-CB 3.45Å; G13-C17 PolarHBondContact O-N 2.71Å; L14-C17 PolarHBondContact O-N 3.06Å; C17-S20 PolarHBondContact O-N 3.26Å; C17-G21 PolarHBondContact O-N 2.99Å; C17-F238 HydrophobicContact CB-CB 3.76Å; C17-F238 HydrophobicContact CB-CD2 4.2Å; C17-F238 HydrophobicContact CB-CG 4.13Å; C17-F238 WeakPolarHBondContact O-CD1 3.26Å; C17-F238 WeakPolarHBondContact O-CG 3.5Å
18	I	93.3	Very high	93.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.8	-46.9	177.4	-71.7	162.5	0	0	0	110.7	L14 T15 S20 G21 I22 L87 M90 F238 I417	L14-I18 HydrophobicContact CD1-CD1 3.77Å; L14-I18 HydrophobicContact CD1-CG1 4.11Å; L14-I18 HydrophobicContact CD2-CD1 4.31Å; L14-I18 HydrophobicContact CG-CD1 3.67Å; L14-I18 HydrophobicContact CG-CG1 4.42Å; L14-I18 WeakPolarHBondContact O-CD1 3.47Å; L14-I18 VanDerWaalsContact O-CG1 3.32Å; L14-I18 WeakPolarHBondContact O-CG1 3.26Å; L14-I18 PolarHBondContact O-N 3.31Å; T15-I18 PolarHBondContact O-N 3.41Å; I18-S20 PolarHBondContact O-N 3.44Å; I18-G21 PolarHBondContact O-N 3.3Å; I18-I22 HydrophobicContact CG2-CD1 3.58Å; I18-I22 HydrophobicContact CG2-CG1 4.37Å; I18-I22 VanDerWaalsContact O-CG1 3.29Å; I18-I22 WeakPolarHBondContact O-CG1 3.42Å; I18-I22 PolarHBondContact O-N 3Å; I18-L87 HydrophobicContact CD1-CD1 3.38Å; I18-M90 HydrophobicContact CG2-SD 4.22Å; I18-F238 HydrophobicContact CB-CE2 4.36Å; I18-F238 HydrophobicContact CB-CZ 4.13Å; I18-F238 HydrophobicContact CD1-CE2 4.38Å; I18-F238 HydrophobicContact CG1-CD2 4.1Å; I18-F238 HydrophobicContact CG1-CE1 4.28Å; I18-F238 HydrophobicContact CG1-CE2 3.35Å; I18-F238 HydrophobicContact CG1-CZ 3.46Å; I18-F238 VanDerWaalsContact CG1-CZ 3.46Å; I18-F238 HydrophobicContact CG2-CZ 4.47Å; I18-I417 HydrophobicContact CB-CD1 4.18Å; I18-I417 HydrophobicContact CD1-CD1 3.52Å; I18-I417 HydrophobicContact CG1-CD1 4.46Å; I18-I417 HydrophobicContact CG2-CD1 4.08Å; I18-I417 HydrophobicContact CG2-CG2 3.92Å
19	L	94.5	Very high	93.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.7	-42.9	178	-73.3	164.8	0	0	0	111.6	T15 E16 G21 I22 M23 I281 I417 I420	T15-L19 HydrophobicContact CG2-CD1 4Å; T15-L19 WeakPolarHBondContact O-CG 3.41Å; T15-L19 PolarHBondContact O-N 3Å; T15-L19 VanDerWaalsContact O-N 3.07Å; E16-L19 PolarHBondContact O-N 3.38Å; L19-G21 VanDerWaalsContact C-N 3.34Å; L19-G21 PolarHBondContact O-N 3.18Å; L19-I22 PolarHBondContact O-N 2.8Å; L19-M23 WeakPolarHBondContact O-CB 3.39Å; L19-M23 VanDerWaalsContact O-CG 3.25Å; L19-M23 WeakPolarHBondContact O-CG 3.2Å; L19-M23 PolarHBondContact O-N 2.91Å; L19-I281 HydrophobicContact CB-CD1 3.81Å; L19-I281 HydrophobicContact CD1-CD1 4.34Å; L19-I281 HydrophobicContact CD1-CG2 4.01Å; L19-I417 HydrophobicContact CD2-CG2 4.1Å; L19-I417 HydrophobicContact CG-CG2 4.32Å; L19-I420 HydrophobicContact CD1-CB 3.89Å; L19-I420 HydrophobicContact CD1-CD1 3.76Å; L19-I420 HydrophobicContact CD1-CG1 4.43Å; L19-I420 HydrophobicContact CD1-CG2 3.45Å; L19-I420 VanDerWaalsContact CD1-CG2 3.45Å; L19-I420 HydrophobicContact CD2-CB 4.4Å; L19-I420 HydrophobicContact CD2-CG2 4.11Å; L19-I420 HydrophobicContact CG-CG2 4.44Å
20	S	93.9	Very high	93	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-57	-46.1	174.3	-178.4	0	0	0	0	111.8	E16 C17 I18 M23 S24 V30 H32 Y249	E16-S20 WeakPolarHBondContact O-CB 3.29Å; E16-S20 PolarHBondContact O-N 2.94Å; C17-S20 PolarHBondContact O-N 3.26Å; I18-S20 PolarHBondContact O-N 3.44Å; S20-M23 PolarHBondContact O-N 3.29Å; S20-S24 WeakPolarHBondContact O-CB 3.48Å; S20-S24 PolarHBondContact O-N 3.3Å; S20-S24 PolarHBondContact O-OG 3.42Å; S20-V30 WeakPolarHBondContact OG-CG1 3.47Å; S20-H32 WeakPolarHBondContact CB-ND1 3.34Å; S20-H32 PolarHBondContact OG-ND1 2.91Å; S20-Y249 PolarHBondContact OG-OH 3.38Å
21	G	90.2	Very high	93	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63	-46.7	175.1	0	0	0	0	0	113.1	C17 I18 L19 M23 S24 V25	C17-G21 PolarHBondContact O-N 2.99Å; I18-G21 PolarHBondContact O-N 3.3Å; L19-G21 VanDerWaalsContact C-N 3.34Å; L19-G21 PolarHBondContact O-N 3.18Å; G21-M23 PolarHBondContact O-N 2.88Å; G21-S24 PolarHBondContact O-N 3.02Å; G21-V25 WeakPolarHBondContact O-CG2 3.03Å; G21-V25 PolarHBondContact O-N 3.13Å
22	I	89.9	Confident	93	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.1	-46.4	177.3	-71.6	162.4	0	0	0	110.8	I18 L19 S24 V25 K26 T94 I417 Y421 F429 M434	I18-I22 HydrophobicContact CG2-CD1 3.58Å; I18-I22 HydrophobicContact CG2-CG1 4.37Å; I18-I22 VanDerWaalsContact O-CG1 3.29Å; I18-I22 WeakPolarHBondContact O-CG1 3.42Å; I18-I22 PolarHBondContact O-N 3Å; L19-I22 PolarHBondContact O-N 2.8Å; I22-S24 VanDerWaalsContact C-N 3.34Å; I22-S24 PolarHBondContact O-N 2.92Å; I22-V25 PolarHBondContact O-N 3.38Å; I22-K26 HydrophobicContact CG2-CD 4.39Å; I22-K26 WeakPolarHBondContact O-CG 3.45Å; I22-K26 PolarHBondContact O-N 3.33Å; I22-T94 HydrophobicContact CG1-CG2 4.22Å; I22-I417 HydrophobicContact CD1-CG2 4.38Å; I22-Y421 HydrophobicContact CG2-CD2 3.91Å; I22-Y421 HydrophobicContact CG2-CE2 3.74Å; I22-F429 HydrophobicContact CD1-CE2 3.72Å; I22-F429 HydrophobicContact CD1-CZ 4.21Å; I22-F429 HydrophobicContact CG1-CE2 4.26Å; I22-F429 HydrophobicContact CG2-CE2 4.1Å; I22-M434 HydrophobicContact CG2-CE 3.99Å
23	M	91.5	Very high	93	Very high	5 Å²	5	14.6 Å²	14.6	3%	0.025	8%	0.083	C	C	.	.	H	α-helix	trans	-64.7	-40	179.6	-67.2	-57.5	163.5	0	0	111.5	V7 L19 S20 G21 K26 G27 K28 V30 Y421 M424 T425	V7-M23 HydrophobicContact CG2-CG 4.5Å; L19-M23 WeakPolarHBondContact O-CB 3.39Å; L19-M23 VanDerWaalsContact O-CG 3.25Å; L19-M23 WeakPolarHBondContact O-CG 3.2Å; L19-M23 PolarHBondContact O-N 2.91Å; S20-M23 PolarHBondContact O-N 3.29Å; G21-M23 PolarHBondContact O-N 2.88Å; M23-K26 CarbonylContact O-C 3.57Å; M23-K26 PolarHBondContact O-N 3.05Å; M23-G27 PolarHBondContact O-N 3.12Å; M23-K28 HydrophobicContact CB-CB 4.18Å; M23-K28 HydrophobicContact CB-CG 4.31Å; M23-K28 VanDerWaalsContact O-CB 3.26Å; M23-K28 WeakPolarHBondContact O-CB 3.3Å; M23-K28 WeakPolarHBondContact O-CG 3.34Å; M23-K28 PolarHBondContact O-N 3.32Å; M23-V30 HydrophobicContact CB-CG2 3.94Å; M23-Y421 HydrophobicContact CE-CD2 3.86Å; M23-Y421 HydrophobicContact CE-CE2 4.24Å; M23-M424 HydrophobicContact CE-CB 4.31Å; M23-M424 HydrophobicContact CE-CE 3.78Å; M23-M424 HydrophobicContact CE-SD 3.71Å; M23-M424 HydrophobicContact SD-CE 4.43Å; M23-T425 HydrophobicContact CE-CG2 4.18Å
24	S	89.3	Confident	93.1	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.007	8%	0.083	C	C	.	.	H	α-helix	trans	-62.7	-46	175.7	-57.7	0	0	0	0	111.9	S20 G21 I22 K26 G27 S242	S20-S24 WeakPolarHBondContact O-CB 3.48Å; S20-S24 PolarHBondContact O-N 3.3Å; S20-S24 PolarHBondContact O-OG 3.42Å; G21-S24 PolarHBondContact O-N 3.02Å; I22-S24 VanDerWaalsContact C-N 3.34Å; I22-S24 PolarHBondContact O-N 2.92Å; S24-K26 PolarHBondContact O-N 3.35Å; S24-G27 WeakPolarHBondContact O-CA 3.42Å; S24-G27 PolarHBondContact O-N 3.49Å; S24-S242 PolarHBondContact OG-OG 3.35Å
25	V	84.8	Confident	93.2	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.03	10%	0.1	C	C	.	.	H	α-helix	trans	-61.9	-31.2	174.6	171.1	0	0	0	0	111.5	G21 I22 G27 L241 F245 M434 I441	G21-V25 WeakPolarHBondContact O-CG2 3.03Å; G21-V25 PolarHBondContact O-N 3.13Å; I22-V25 PolarHBondContact O-N 3.38Å; V25-G27 PolarHBondContact O-N 2.83Å; V25-L241 HydrophobicContact CG2-CD2 4.38Å; V25-F245 HydrophobicContact CG2-CD2 4.32Å; V25-F245 HydrophobicContact CG2-CE2 3.93Å; V25-F245 HydrophobicContact CG2-CZ 4.25Å; V25-M434 HydrophobicContact CG1-CE 4.31Å; V25-I441 HydrophobicContact CG1-CD1 3.76Å; V25-I441 WeakPolarHBondContact O-CD1 3.46Å
26	K	85.9	Confident	93.2	Very high	55 Å²	55	21.4 Å²	21.4	24%	0.239	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	11.3	172.8	-68.7	-172.6	71.2	125.9	0	113.7	I22 M23 S24 Y421 E433 M434	I22-K26 HydrophobicContact CG2-CD 4.39Å; I22-K26 WeakPolarHBondContact O-CG 3.45Å; I22-K26 PolarHBondContact O-N 3.33Å; M23-K26 CarbonylContact O-C 3.57Å; M23-K26 PolarHBondContact O-N 3.05Å; S24-K26 PolarHBondContact O-N 3.35Å; K26-Y421 HydrophobicContact CD-CE2 4.09Å; K26-Y421 PolarHBondContact NZ-OH 3.32Å; K26-E433 IonicContact NZ-OE1 3.73Å; K26-E433 PolarHBondContact NZ-OE1 3.32Å; K26-M434 HydrophobicContact CD-SD 3.96Å; K26-M434 HydrophobicContact CG-CE 4.35Å; K26-M434 HydrophobicContact CG-SD 4Å
27	G	88.1	Confident	92.9	Very high	64 Å²	64	25.5 Å²	25.5	66%	0.66	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.4	19.2	174.8	0	0	0	0	0	114.5	M23 S24 V25	M23-G27 PolarHBondContact O-N 3.12Å; S24-G27 WeakPolarHBondContact O-CA 3.42Å; S24-G27 PolarHBondContact O-N 3.49Å; V25-G27 PolarHBondContact O-N 2.83Å
28	K	92.6	Very high	92.8	Very high	88 Å²	88	29 Å²	29	38%	0.383	15%	0.154	S	C	.	.			trans	-82	141.2	174.4	-59.5	-58.7	-173.1	177.7	0	110.4	D6 M23 V30	D6-K28 HydrophobicContact CB-CB 4.06Å; D6-K28 HydrophobicContact CB-CD 4.03Å; M23-K28 HydrophobicContact CB-CB 4.18Å; M23-K28 HydrophobicContact CB-CG 4.31Å; M23-K28 VanDerWaalsContact O-CB 3.26Å; M23-K28 WeakPolarHBondContact O-CB 3.3Å; M23-K28 WeakPolarHBondContact O-CG 3.34Å; M23-K28 PolarHBondContact O-N 3.32Å; K28-V30 HydrophobicContact CB-CG2 4.26Å; K28-V30 PolarHBondContact O-N 3.1Å
29	K	94.8	Very high	92.8	Very high	78 Å²	78	32.2 Å²	32.2	34%	0.339	17%	0.167	S	C	.	.			trans	-78.1	112.6	170.1	-166	-174.2	174.1	-168.2	0	109.3	E3 E4 Y5 D6 V7	E3-K29 IonicContact OE2-NZ 2.74Å; E3-K29 PolarHBondContact OE2-NZ 3.24Å; E4-K29 WeakPolarHBondContact O-CD 3.46Å; E4-K29 PolarHBondContact O-NZ 3.26Å; Y5-K29 HydrophobicContact CD1-CD 4.05Å; Y5-K29 HydrophobicContact CD1-CG 3.85Å; Y5-K29 HydrophobicContact CE1-CD 4.37Å; Y5-K29 HydrophobicContact CE1-CG 4.34Å; D6-K29 PolarHBondContact N-O 3.41Å; D6-K29 PolarHBondContact OD2-N 3.42Å; V7-K29 PolarHBondContact N-O 3.03Å
30	V	96.1	Very high	92.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.9	-173.5	-175.1	0	0	0	0	111.6	V7 V9 S20 M23 K28 G247 T248	V7-V30 HydrophobicContact CB-CG2 4.46Å; V7-V30 WeakPolarHBondContact O-CA 3.45Å; V9-V30 HydrophobicContact CG2-CG1 3.88Å; S20-V30 WeakPolarHBondContact OG-CG1 3.47Å; M23-V30 HydrophobicContact CB-CG2 3.94Å; K28-V30 HydrophobicContact CB-CG2 4.26Å; K28-V30 PolarHBondContact O-N 3.1Å; V30-G247 WeakPolarHBondContact O-CA 3.47Å; V30-T248 PolarHBondContact O-N 3Å
31	L	97.1	Very high	92.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.5	164.8	170.8	65.5	0	0	0	108.8	Y5 V7 I8 V9 M33 T248 M250 A275	Y5-L31 HydrophobicContact CD1-CB 3.51Å; Y5-L31 HydrophobicContact CD2-CB 3.97Å; Y5-L31 HydrophobicContact CD2-CD2 4.06Å; Y5-L31 HydrophobicContact CE1-CB 3.56Å; Y5-L31 HydrophobicContact CE1-CG 4.47Å; Y5-L31 HydrophobicContact CE2-CB 4.01Å; Y5-L31 HydrophobicContact CE2-CD2 3.7Å; Y5-L31 HydrophobicContact CE2-CG 4.38Å; Y5-L31 HydrophobicContact CG-CB 3.73Å; V7-L31 PolarHBondContact O-N 2.92Å; V7-L31 VanDerWaalsContact O-N 3.08Å; I8-L31 CarbonylContact C-O 3.59Å; I8-L31 VanDerWaalsContact CA-O 3.27Å; I8-L31 WeakPolarHBondContact CA-O 3.38Å; I8-L31 HydrophobicContact CD1-CD2 4.28Å; I8-L31 HydrophobicContact CG1-CB 4.11Å; I8-L31 HydrophobicContact CG1-CD2 4.2Å; I8-L31 HydrophobicContact CG1-CG 4.49Å; V9-L31 PolarHBondContact N-O 2.84Å; L31-M33 HydrophobicContact CD1-CG 4.02Å; L31-M33 HydrophobicContact CD1-SD 4.42Å; L31-M33 HydrophobicContact CD2-CE 3.93Å; L31-M33 HydrophobicContact CD2-CG 4.34Å; L31-M33 HydrophobicContact CD2-SD 3.87Å; L31-M33 HydrophobicContact CG-CE 4.32Å; L31-M33 HydrophobicContact CG-CG 3.94Å; L31-M33 HydrophobicContact CG-SD 4.15Å; L31-T248 HydrophobicContact CD1-CG2 4.18Å; L31-M250 HydrophobicContact CD1-CE 4.01Å; L31-M250 HydrophobicContact CD1-CG 4.33Å; L31-M250 HydrophobicContact CD1-SD 4.22Å; L31-A275 HydrophobicContact CD2-CB 3.59Å
32	H	97.6	Very high	92.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.9	-178	-159.2	142.1	0	0	0	109.3	V9 G11 S20 T248 Y249 M250	V9-H32 HydrophobicContact CB-CB 4.32Å; V9-H32 VanDerWaalsContact CG1-CE1 3.48Å; V9-H32 WeakPolarHBondContact CG1-CE1 3.49Å; V9-H32 CarbonylContact O-C 3.48Å; V9-H32 WeakPolarHBondContact O-CA 3.31Å; G11-H32 PolarHBondContact O-NE2 2.62Å; S20-H32 WeakPolarHBondContact CB-ND1 3.34Å; S20-H32 PolarHBondContact OG-ND1 2.91Å; H32-T248 PolarHBondContact N-O 3.25Å; H32-Y249 HydrophobicContact CB-CD1 3.95Å; H32-Y249 HydrophobicContact CB-CD2 3.71Å; H32-Y249 HydrophobicContact CB-CE1 3.92Å; H32-Y249 HydrophobicContact CB-CE2 3.57Å; H32-Y249 HydrophobicContact CB-CG 3.92Å; H32-Y249 AromaticContact CD2-CE1 3.9Å; H32-Y249 AromaticContact CE1-CE1 3.73Å; H32-Y249 AromaticContact CE1-CZ 3.7Å; H32-Y249 PolarHBondContact CE1-OH 2.97Å; H32-Y249 AromaticContact CG-CD1 3.92Å; H32-Y249 AromaticContact CG-CE1 3.49Å; H32-Y249 VanDerWaalsContact CG-CE1 3.49Å; H32-Y249 AromaticContact CG-CE2 3.84Å; H32-Y249 AromaticContact CG-CZ 3.48Å; H32-Y249 VanDerWaalsContact CG-CZ 3.48Å; H32-Y249 AromaticContact ND1-CE1 3.38Å; H32-Y249 WeakPolarHBondContact ND1-CE1 3.35Å; H32-Y249 AromaticContact ND1-CE2 3.65Å; H32-Y249 AromaticContact ND1-CZ 3.04Å; H32-Y249 PolarHBondContact ND1-OH 3.49Å; H32-Y249 CarbonylContact O-C 3.54Å; H32-Y249 VanDerWaalsContact O-CA 3.28Å; H32-Y249 WeakPolarHBondContact O-CA 3.44Å; H32-M250 PolarHBondContact O-N 3.33Å
33	M	97.1	Very high	92.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.4	-176	-59.2	-176.1	-72.4	0	0	111.4	I8 V9 L10 G11 L31 M250 K253 I255 V268	I8-M33 HydrophobicContact CG2-CE 3.79Å; V9-M33 PolarHBondContact O-N 2.81Å; L10-M33 CarbonylContact C-O 3.55Å; L10-M33 WeakPolarHBondContact CA-O 3.38Å; L10-M33 HydrophobicContact CD2-CB 4.13Å; L10-M33 HydrophobicContact CD2-CE 3.69Å; G11-M33 PolarHBondContact N-O 3.3Å; L31-M33 HydrophobicContact CD1-CG 4.02Å; L31-M33 HydrophobicContact CD1-SD 4.42Å; L31-M33 HydrophobicContact CD2-CE 3.93Å; L31-M33 HydrophobicContact CD2-CG 4.34Å; L31-M33 HydrophobicContact CD2-SD 3.87Å; L31-M33 HydrophobicContact CG-CE 4.32Å; L31-M33 HydrophobicContact CG-CG 3.94Å; L31-M33 HydrophobicContact CG-SD 4.15Å; M33-M250 CarbonylContact C-O 3.49Å; M33-M250 VanDerWaalsContact CA-O 3.28Å; M33-M250 WeakPolarHBondContact CA-O 3.42Å; M33-M250 HydrophobicContact CG-CB 4.2Å; M33-K253 HydrophobicContact SD-CG 4.11Å; M33-I255 HydrophobicContact CB-CD1 4.31Å; M33-I255 HydrophobicContact CE-CD1 4Å; M33-I255 HydrophobicContact SD-CD1 4.33Å; M33-V268 HydrophobicContact CE-CB 4.06Å; M33-V268 HydrophobicContact CE-CG1 3.87Å
34	D	97.3	Very high	93	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.			trans	-130	140.7	170.9	-154.8	-49.5	0	0	0	110.1	T12 N36 M250 L251 N252 K253	T12-D34 WeakPolarHBondContact CB-OD2 3.4Å; T12-D34 HydrophobicContact CG2-CB 3.83Å; T12-D34 PolarHBondContact N-OD2 3.36Å; T12-D34 PolarHBondContact OG1-OD2 3.48Å; D34-N36 VanDerWaalsContact C-N 3.26Å; D34-N36 WeakPolarHBondContact OD1-CB 3.42Å; D34-N36 PolarHBondContact OD1-N 3.06Å; D34-N36 PolarHBondContact OD1-ND2 3.45Å; D34-M250 PolarHBondContact N-O 2.75Å; D34-L251 HydrophobicContact CB-CD2 3.61Å; D34-L251 CarbonylContact O-C 3.57Å; D34-N252 PolarHBondContact O-N 2.8Å; D34-N252 VanDerWaalsContact O-N 3.16Å; D34-K253 PolarHBondContact O-N 3.33Å
35	R	96.3	Very high	93.4	Very high	103 Å²	103	38.2 Å²	38.2	39%	0.389	20%	0.2	S	C	.	.	S	Bend	trans	-73.7	-23.9	175.1	72.2	-178.1	81.2	-176	9.5	111.6	K253 S285 Y286	R35-K253 WeakPolarHBondContact CA-O 3.29Å; R35-S285 PolarHBondContact NH2-O 3.4Å; R35-S285 PolarHBondContact NH2-OG 2.91Å; R35-Y286 PolarHBondContact N-OH 2.84Å; R35-Y286 VanDerWaalsContact N-OH 3.16Å; R35-Y286 VanDerWaalsContact NH2-CE1 3.29Å
36	N	94.3	Very high	94	Very high	46 Å²	46	38.7 Å²	38.7	25%	0.246	20%	0.202	C	C	.	.	S	Bend	trans	-81.8	152.9	179.6	-58.6	-66.9	0	0	0	110.9	D34 Y38 N252	D34-N36 VanDerWaalsContact C-N 3.26Å; D34-N36 WeakPolarHBondContact OD1-CB 3.42Å; D34-N36 PolarHBondContact OD1-N 3.06Å; D34-N36 PolarHBondContact OD1-ND2 3.45Å; N36-Y38 HydrophobicContact CB-CD1 3.99Å; N36-Y38 HydrophobicContact CB-CD2 4.47Å; N36-Y38 HydrophobicContact CB-CE1 3.8Å; N36-Y38 HydrophobicContact CB-CE2 4.32Å; N36-Y38 HydrophobicContact CB-CG 4.32Å; N36-Y38 PolarHBondContact O-N 3.25Å; N36-N252 PolarHBondContact O-N 3.12Å
37	S	92.1	Very high	94.5	Very high	87 Å²	87	39 Å²	39	61%	0.608	21%	0.209	S	C	*	.	S	Bend	trans	-78.7	2.3	173	55.7	0	0	0	0	113.9
38	Y	92	Very high	94.9	Very high	74 Å²	74	37.9 Å²	37.9	29%	0.29	19%	0.19	S	C	.	.	S	Bend	trans	-135	159.5	-176.1	58.1	-90.3	0	0	0	110.9	N36 A44 R55	N36-Y38 HydrophobicContact CB-CD1 3.99Å; N36-Y38 HydrophobicContact CB-CD2 4.47Å; N36-Y38 HydrophobicContact CB-CE1 3.8Å; N36-Y38 HydrophobicContact CB-CE2 4.32Å; N36-Y38 HydrophobicContact CB-CG 4.32Å; N36-Y38 PolarHBondContact O-N 3.25Å; Y38-A44 HydrophobicContact CD2-CB 3.76Å; Y38-A44 HydrophobicContact CE2-CB 3.65Å; Y38-R55 PolarHBondContact OH-NH1 2.84Å; Y38-R55 VanDerWaalsContact OH-NH1 3.08Å
39	Y	93.8	Very high	95.2	Very high	68 Å²	68	33.8 Å²	33.8	27%	0.267	17%	0.172	S	C	.	.	S	Bend	trans	-82.4	155.4	177.1	-70.9	-73.9	0	0	0	113.1	T12 A44 P235 Q236 A239 Y249 L251	T12-Y39 HydrophobicContact CG2-CD1 3.76Å; T12-Y39 HydrophobicContact CG2-CE1 4.11Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.24Å; Y39-A44 VanDerWaalsContact O-CB 3.32Å; Y39-A44 WeakPolarHBondContact O-CB 3.41Å; Y39-P235 HydrophobicContact CD1-CB 4.34Å; Y39-P235 HydrophobicContact CG-CB 4.4Å; Y39-Q236 HydrophobicContact CD2-CG 3.83Å; Y39-Q236 HydrophobicContact CE2-CG 4.27Å; Y39-Q236 HydrophobicContact CG-CG 4.4Å; Y39-A239 HydrophobicContact CE1-CB 3.94Å; Y39-Y249 AromaticContact CE1-CD1 3.85Å; Y39-Y249 HydrophobicContact CE1-CD1 3.85Å; Y39-Y249 HydrophobicContact CE1-CE1 4.27Å; Y39-L251 HydrophobicContact CD1-CD1 4.4Å; Y39-L251 HydrophobicContact CD1-CD2 3.97Å; Y39-L251 HydrophobicContact CD2-CD1 3.96Å; Y39-L251 HydrophobicContact CE1-CD1 4.15Å; Y39-L251 HydrophobicContact CE1-CD2 3.87Å; Y39-L251 HydrophobicContact CE1-CG 4.18Å; Y39-L251 HydrophobicContact CE2-CD1 3.67Å; Y39-L251 HydrophobicContact CG-CD1 4.31Å; Y39-L251 HydrophobicContact CG-CD2 4.49Å
40	G	91.2	Very high	95.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.01	17%	0.171	C	C	.	.	S	Bend	trans	103.4	-10.2	165.2	0	0	0	0	0	115.3	T12 E42 S43 A44	T12-G40 WeakPolarHBondContact O-CA 3.25Å; T12-G40 PolarHBondContact O-N 2.85Å; T12-G40 VanDerWaalsContact O-N 3.13Å; T12-G40 PolarHBondContact OG1-N 3.46Å; G40-E42 PolarHBondContact O-N 2.93Å; G40-S43 CarbonylContact O-C 3.5Å; G40-S43 VanDerWaalsContact O-C 3.29Å; G40-S43 WeakPolarHBondContact O-CA 3.48Å; G40-S43 PolarHBondContact O-N 3.35Å; G40-S43 PolarHBondContact O-OG 3.39Å; G40-A44 PolarHBondContact O-N 3.14Å
41	A	91.1	Very high	95.3	Very high	11 Å²	11	36.5 Å²	36.5	9%	0.091	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	47.1	-123	-179.7	0	0	0	0	0	112.4	S43 A44	A41-S43 PolarHBondContact O-N 3.36Å; A41-A44 WeakPolarHBondContact O-CB 3.47Å; A41-A44 PolarHBondContact O-N 2.76Å
42	E	92.2	Very high	95.3	Very high	85 Å²	85	36.5 Å²	36.5	40%	0.397	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-64.2	-25.2	177.1	-65.5	-166.6	155.2	0	0	113.6	G40 V77	G40-E42 PolarHBondContact O-N 2.93Å; E42-V77 WeakPolarHBondContact O-CG2 3.32Å
43	S	94.4	Very high	95.4	Very high	12 Å²	12	37.1 Å²	37.1	8%	0.084	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-98.2	18.7	179.1	57.2	0	0	0	0	113.7	G40 A41	G40-S43 CarbonylContact O-C 3.5Å; G40-S43 VanDerWaalsContact O-C 3.29Å; G40-S43 WeakPolarHBondContact O-CA 3.48Å; G40-S43 PolarHBondContact O-N 3.35Å; G40-S43 PolarHBondContact O-OG 3.39Å; A41-S43 PolarHBondContact O-N 3.36Å
44	A	95.9	Very high	95.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-61	151.9	-178	0	0	0	0	0	113.3	Y38 Y39 G40 A41 I46 L76	Y38-A44 HydrophobicContact CD2-CB 3.76Å; Y38-A44 HydrophobicContact CE2-CB 3.65Å; Y39-A44 VanDerWaalsContact O-CB 3.32Å; Y39-A44 WeakPolarHBondContact O-CB 3.41Å; G40-A44 PolarHBondContact O-N 3.14Å; A41-A44 WeakPolarHBondContact O-CB 3.47Å; A41-A44 PolarHBondContact O-N 2.76Å; A44-I46 HydrophobicContact CB-CD1 4.16Å; A44-L76 HydrophobicContact CB-CD1 4.46Å; A44-L76 WeakPolarHBondContact O-CG 3.44Å; A44-L76 PolarHBondContact O-N 3.37Å
45	S	97.1	Very high	95.2	Very high	22 Å²	22	48.3 Å²	48.3	15%	0.154	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.1	165.6	-150.6	0	0	0	0	108.6	N73 D75	S45-N73 VanDerWaalsContact OG-C 3.26Å; S45-N73 PolarHBondContact OG-O 3.41Å; S45-D75 WeakPolarHBondContact CB-OD1 3.49Å; S45-D75 PolarHBondContact OG-OD1 3.48Å
46	I	97.3	Very high	95.2	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.077	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.9	-175.4	-52.4	-56.1	0	0	0	109.6	A44 D51 L52 V74 L76	A44-I46 HydrophobicContact CB-CD1 4.16Å; I46-D51 HydrophobicContact CG2-CB 3.82Å; I46-L52 HydrophobicContact CB-CD1 4.1Å; I46-L52 HydrophobicContact CG1-CD1 4.21Å; I46-L52 HydrophobicContact CG2-CB 4.02Å; I46-L52 HydrophobicContact CG2-CD1 4.34Å; I46-V74 PolarHBondContact N-O 3.46Å; I46-V74 PolarHBondContact O-N 3.27Å; I46-L76 HydrophobicContact CD1-CD1 4.09Å; I46-L76 HydrophobicContact CD1-CG 4.37Å; I46-L76 HydrophobicContact CG1-CD1 4.16Å; I46-L76 HydrophobicContact CG1-CD2 3.87Å; I46-L76 HydrophobicContact CG1-CG 3.93Å
47	T	96.2	Very high	95.3	Very high	61 Å²	61	51.4 Å²	51.4	37%	0.374	26%	0.255	S	S	.	.			trans	-149	140.1	176.3	-171.6	0	0	0	0	109.4	W72	T47-W72 WeakPolarHBondContact CB-O 3.07Å; T47-W72 PolarHBondContact OG1-O 3.21Å
48	P	97.1	Very high	95.5	Very high	42 Å²	42	49.5 Å²	49.5	27%	0.273	24%	0.238	S	C	.	.	S	Bend	cis	-77.6	179	-2.7	37.1	-40	0	0	0	112.8	E50 D51 G69	P48-E50 VanDerWaalsContact CB-OE2 3.25Å; P48-E50 WeakPolarHBondContact CB-OE2 3.37Å; P48-E50 HydrophobicContact CG-CB 4.45Å; P48-E50 WeakPolarHBondContact CG-OE2 3.41Å; P48-E50 PolarHBondContact O-N 3.49Å; P48-E50 VanDerWaalsContact O-N 3.15Å; P48-D51 WeakPolarHBondContact O-CB 3.22Å; P48-D51 PolarHBondContact O-N 2.89Å; P48-G69 WeakPolarHBondContact CA-O 3.43Å; P48-G69 WeakPolarHBondContact CB-O 3.48Å
49	L	98	Very high	95.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-56.4	-30.4	-179.3	-175.5	61.8	0	0	0	113.6	D51 L52 Y53 P62 M66 G69 W72 I303 F380	L49-D51 VanDerWaalsContact C-N 3.26Å; L49-D51 PolarHBondContact O-N 3.47Å; L49-L52 HydrophobicContact CD1-CB 4.29Å; L49-L52 HydrophobicContact CD1-CD2 3.87Å; L49-L52 WeakPolarHBondContact O-CB 3.35Å; L49-L52 PolarHBondContact O-N 2.89Å; L49-L52 VanDerWaalsContact O-N 3.13Å; L49-Y53 HydrophobicContact CD1-CD2 4.4Å; L49-Y53 HydrophobicContact CD1-CE2 4.28Å; L49-Y53 HydrophobicContact CD2-CE2 4.36Å; L49-Y53 HydrophobicContact CG-CD2 4.21Å; L49-Y53 HydrophobicContact CG-CE2 4.1Å; L49-Y53 WeakPolarHBondContact O-CD2 3.35Å; L49-Y53 PolarHBondContact O-N 3.38Å; L49-Y53 VanDerWaalsContact O-N 3.11Å; L49-P62 HydrophobicContact CB-CG 4.18Å; L49-P62 HydrophobicContact CD2-CB 3.64Å; L49-P62 HydrophobicContact CD2-CG 3.97Å; L49-P62 HydrophobicContact CG-CB 4.04Å; L49-P62 HydrophobicContact CG-CG 3.78Å; L49-M66 HydrophobicContact CD2-CB 3.63Å; L49-M66 HydrophobicContact CD2-CG 3.95Å; L49-G69 PolarHBondContact N-O 2.99Å; L49-W72 HydrophobicContact CB-CB 4.03Å; L49-W72 HydrophobicContact CB-CD2 4.29Å; L49-W72 HydrophobicContact CB-CG 3.77Å; L49-W72 HydrophobicContact CD1-CD2 4.1Å; L49-W72 HydrophobicContact CD1-CE3 4.13Å; L49-W72 HydrophobicContact CD1-CG 4.35Å; L49-W72 HydrophobicContact CD2-CD2 4Å; L49-W72 HydrophobicContact CD2-CG 4.28Å; L49-W72 HydrophobicContact CD2-CZ2 4.04Å; L49-W72 HydrophobicContact CG-CD2 4.36Å; L49-W72 HydrophobicContact CG-CG 4.35Å; L49-I303 HydrophobicContact CD1-CD1 3.98Å; L49-I303 HydrophobicContact CD2-CD1 4.44Å; L49-F380 HydrophobicContact CD1-CZ 4.48Å
50	E	97.6	Very high	95.3	Very high	67 Å²	67	51.6 Å²	51.6	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-56.8	-39.6	174.4	-66.7	76.7	-177.3	0	0	111.8	P48 L52 Y53 Q54 P62 G69	P48-E50 VanDerWaalsContact CB-OE2 3.25Å; P48-E50 WeakPolarHBondContact CB-OE2 3.37Å; P48-E50 HydrophobicContact CG-CB 4.45Å; P48-E50 WeakPolarHBondContact CG-OE2 3.41Å; P48-E50 PolarHBondContact O-N 3.49Å; P48-E50 VanDerWaalsContact O-N 3.15Å; E50-L52 VanDerWaalsContact C-N 3.29Å; E50-L52 PolarHBondContact O-N 2.86Å; E50-Y53 WeakPolarHBondContact O-CB 3.32Å; E50-Y53 PolarHBondContact O-N 3.29Å; E50-Q54 WeakPolarHBondContact O-CG 3.49Å; E50-Q54 PolarHBondContact O-N 3.34Å; E50-P62 HydrophobicContact CG-CG 4.09Å; E50-G69 WeakPolarHBondContact OE2-CA 3.41Å
51	D	96.6	Very high	95.4	Very high	69 Å²	69	57 Å²	57	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-70.3	-30.1	179.4	-71.4	7.2	0	0	0	111.1	I46 P48 L49 Q54 R55	I46-D51 HydrophobicContact CG2-CB 3.82Å; P48-D51 WeakPolarHBondContact O-CB 3.22Å; P48-D51 PolarHBondContact O-N 2.89Å; L49-D51 VanDerWaalsContact C-N 3.26Å; L49-D51 PolarHBondContact O-N 3.47Å; D51-Q54 PolarHBondContact O-N 3.42Å; D51-R55 VanDerWaalsContact O-CB 3.28Å; D51-R55 WeakPolarHBondContact O-CB 3.37Å; D51-R55 PolarHBondContact O-N 3.04Å
52	L	97.2	Very high	95.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66.6	-43.6	171.6	-170.6	72.7	0	0	0	110.9	I46 L49 E50 Q54 R55 F56 V74 L76 F380	I46-L52 HydrophobicContact CB-CD1 4.1Å; I46-L52 HydrophobicContact CG1-CD1 4.21Å; I46-L52 HydrophobicContact CG2-CB 4.02Å; I46-L52 HydrophobicContact CG2-CD1 4.34Å; L49-L52 HydrophobicContact CD1-CB 4.29Å; L49-L52 HydrophobicContact CD1-CD2 3.87Å; L49-L52 WeakPolarHBondContact O-CB 3.35Å; L49-L52 PolarHBondContact O-N 2.89Å; L49-L52 VanDerWaalsContact O-N 3.13Å; E50-L52 VanDerWaalsContact C-N 3.29Å; E50-L52 PolarHBondContact O-N 2.86Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-Q54 PolarHBondContact O-N 3.23Å; L52-R55 PolarHBondContact O-N 3.15Å; L52-F56 HydrophobicContact CD1-CD2 3.88Å; L52-F56 HydrophobicContact CD1-CE2 3.59Å; L52-F56 HydrophobicContact CG-CD2 4.19Å; L52-F56 HydrophobicContact CG-CE2 4.34Å; L52-F56 WeakPolarHBondContact O-CD2 3.38Å; L52-F56 PolarHBondContact O-N 3.49Å; L52-F56 VanDerWaalsContact O-N 3.11Å; L52-V74 HydrophobicContact CD1-CB 4.42Å; L52-V74 HydrophobicContact CD1-CG1 4.33Å; L52-V74 HydrophobicContact CD2-CB 3.99Å; L52-V74 HydrophobicContact CD2-CG1 3.83Å; L52-V74 HydrophobicContact CD2-CG2 3.96Å; L52-L76 HydrophobicContact CD1-CD2 4.21Å; L52-F380 HydrophobicContact CD2-CD1 4.03Å; L52-F380 HydrophobicContact CD2-CD2 4.1Å; L52-F380 HydrophobicContact CD2-CE1 3.72Å; L52-F380 HydrophobicContact CD2-CE2 3.83Å; L52-F380 HydrophobicContact CD2-CG 4.21Å; L52-F380 HydrophobicContact CD2-CZ 3.63Å; L52-F380 HydrophobicContact CG-CD1 3.92Å; L52-F380 HydrophobicContact CG-CE1 3.79Å; L52-F380 HydrophobicContact CG-CG 4.44Å; L52-F380 HydrophobicContact CG-CZ 4.23Å
53	Y	97.8	Very high	95.9	Very high	14 Å²	14	56.2 Å²	56.2	6%	0.055	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-45.8	174.7	-89.7	-118.5	0	0	0	111.5	L49 E50 F56 H57 L58 P62 F380	L49-Y53 HydrophobicContact CD1-CD2 4.4Å; L49-Y53 HydrophobicContact CD1-CE2 4.28Å; L49-Y53 HydrophobicContact CD2-CE2 4.36Å; L49-Y53 HydrophobicContact CG-CD2 4.21Å; L49-Y53 HydrophobicContact CG-CE2 4.1Å; L49-Y53 WeakPolarHBondContact O-CD2 3.35Å; L49-Y53 PolarHBondContact O-N 3.38Å; L49-Y53 VanDerWaalsContact O-N 3.11Å; E50-Y53 WeakPolarHBondContact O-CB 3.32Å; E50-Y53 PolarHBondContact O-N 3.29Å; Y53-F56 CarbonylContact O-C 3.52Å; Y53-F56 PolarHBondContact O-N 3.24Å; Y53-H57 PolarHBondContact O-N 3.16Å; Y53-H57 VanDerWaalsContact O-N 3.14Å; Y53-L58 HydrophobicContact CD1-CB 3.77Å; Y53-L58 HydrophobicContact CD1-CD1 4.12Å; Y53-L58 HydrophobicContact CE1-CB 4.42Å; Y53-L58 HydrophobicContact CE1-CD1 4.35Å; Y53-L58 HydrophobicContact CG-CB 4.27Å; Y53-L58 HydrophobicContact CG-CD1 4.21Å; Y53-L58 PolarHBondContact O-N 3.46Å; Y53-P62 HydrophobicContact CD2-CB 4.32Å; Y53-P62 HydrophobicContact CD2-CG 3.71Å; Y53-P62 HydrophobicContact CE2-CB 3.9Å; Y53-P62 HydrophobicContact CE2-CG 3.82Å; Y53-P62 HydrophobicContact CG-CG 4.1Å; Y53-F380 AromaticContact CD2-CE1 3.74Å; Y53-F380 HydrophobicContact CD2-CE1 3.74Å; Y53-F380 AromaticContact CD2-CZ 3.9Å; Y53-F380 HydrophobicContact CD2-CZ 3.9Å; Y53-F380 AromaticContact CE2-CE1 3.88Å; Y53-F380 HydrophobicContact CE2-CE1 3.88Å; Y53-F380 AromaticContact CE2-CZ 3.6Å; Y53-F380 HydrophobicContact CE2-CZ 3.6Å; Y53-F380 HydrophobicContact CG-CE1 4.4Å
54	Q	96.4	Very high	95.9	Very high	134 Å²	134	64.9 Å²	64.9	63%	0.626	35%	0.354	S	S	*	.	H	α-helix	trans	-60.4	-47.2	176.8	-70.7	177.6	25.9	0	0	111.7	E50 D51 L52 F56 H57	E50-Q54 WeakPolarHBondContact O-CG 3.49Å; E50-Q54 PolarHBondContact O-N 3.34Å; D51-Q54 PolarHBondContact O-N 3.42Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-Q54 PolarHBondContact O-N 3.23Å; Q54-F56 VanDerWaalsContact C-N 3.27Å; Q54-F56 PolarHBondContact O-N 3.2Å; Q54-H57 PolarHBondContact O-N 2.99Å
55	R	95.1	Very high	95.9	Very high	103 Å²	103	68 Å²	68	39%	0.389	38%	0.377	S	S	.	.	H	α-helix	trans	-58.7	-38.4	-179.6	-175.1	178.4	-175.2	92.2	-1.9	112.6	Y38 D51 L52 H57	Y38-R55 PolarHBondContact OH-NH1 2.84Å; Y38-R55 VanDerWaalsContact OH-NH1 3.08Å; D51-R55 VanDerWaalsContact O-CB 3.28Å; D51-R55 WeakPolarHBondContact O-CB 3.37Å; D51-R55 PolarHBondContact O-N 3.04Å; L52-R55 PolarHBondContact O-N 3.15Å; R55-H57 VanDerWaalsContact C-N 3.3Å; R55-H57 PolarHBondContact O-CE1 3.29Å; R55-H57 PolarHBondContact O-ND1 2.88Å
56	F	96.8	Very high	95.9	Very high	40 Å²	40	67.1 Å²	67.1	18%	0.175	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	10.9	178.6	-75.8	-93.3	0	0	0	113.3	L52 Y53 Q54 L58 L76 I301 F380 V381	L52-F56 HydrophobicContact CD1-CD2 3.88Å; L52-F56 HydrophobicContact CD1-CE2 3.59Å; L52-F56 HydrophobicContact CG-CD2 4.19Å; L52-F56 HydrophobicContact CG-CE2 4.34Å; L52-F56 WeakPolarHBondContact O-CD2 3.38Å; L52-F56 PolarHBondContact O-N 3.49Å; L52-F56 VanDerWaalsContact O-N 3.11Å; Y53-F56 CarbonylContact O-C 3.52Å; Y53-F56 PolarHBondContact O-N 3.24Å; Q54-F56 VanDerWaalsContact C-N 3.27Å; Q54-F56 PolarHBondContact O-N 3.2Å; F56-L58 HydrophobicContact CB-CD1 4.25Å; F56-L58 HydrophobicContact CB-CG 4.2Å; F56-L58 PolarHBondContact O-N 3.14Å; F56-L58 VanDerWaalsContact O-N 3.17Å; F56-L76 HydrophobicContact CE2-CD2 3.99Å; F56-L76 HydrophobicContact CZ-CD2 4.29Å; F56-I301 HydrophobicContact CE2-CD1 4.48Å; F56-I301 HydrophobicContact CZ-CD1 4.27Å; F56-F380 HydrophobicContact CB-CD1 3.93Å; F56-F380 HydrophobicContact CD1-CB 3.69Å; F56-F380 HydrophobicContact CD2-CB 3.95Å; F56-F380 AromaticContact CD2-CD1 3.86Å; F56-F380 HydrophobicContact CD2-CD1 3.86Å; F56-F380 HydrophobicContact CD2-CG 4.31Å; F56-F380 HydrophobicContact CE1-CB 3.72Å; F56-F380 HydrophobicContact CE2-CB 4.01Å; F56-F380 HydrophobicContact CG-CB 3.79Å; F56-F380 AromaticContact CG-CD1 3.89Å; F56-F380 HydrophobicContact CG-CD1 3.89Å; F56-F380 HydrophobicContact CG-CG 4.34Å; F56-F380 HydrophobicContact CZ-CB 3.88Å; F56-V381 WeakPolarHBondContact CD1-O 3.27Å; F56-V381 WeakPolarHBondContact CE1-O 3.1Å
57	H	96.4	Very high	95.9	Very high	173 Å²	173	68.5 Å²	68.5	80%	0.801	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	33.6	178	-49.3	89.9	0	0	0	113.2	Y53 Q54 R55	Y53-H57 PolarHBondContact O-N 3.16Å; Y53-H57 VanDerWaalsContact O-N 3.14Å; Q54-H57 PolarHBondContact O-N 2.99Å; R55-H57 VanDerWaalsContact C-N 3.3Å; R55-H57 PolarHBondContact O-CE1 3.29Å; R55-H57 PolarHBondContact O-ND1 2.88Å
58	L	95.3	Very high	96	Very high	47 Å²	47	71.6 Å²	71.6	25%	0.246	40%	0.396	C	S	.	.			trans	-77.9	137.3	178.8	-70.2	168.2	0	0	0	110	Y53 F56 F380	Y53-L58 HydrophobicContact CD1-CB 3.77Å; Y53-L58 HydrophobicContact CD1-CD1 4.12Å; Y53-L58 HydrophobicContact CE1-CB 4.42Å; Y53-L58 HydrophobicContact CE1-CD1 4.35Å; Y53-L58 HydrophobicContact CG-CB 4.27Å; Y53-L58 HydrophobicContact CG-CD1 4.21Å; Y53-L58 PolarHBondContact O-N 3.46Å; F56-L58 HydrophobicContact CB-CD1 4.25Å; F56-L58 HydrophobicContact CB-CG 4.2Å; F56-L58 PolarHBondContact O-N 3.14Å; F56-L58 VanDerWaalsContact O-N 3.17Å; L58-F380 HydrophobicContact CD1-CD1 3.38Å; L58-F380 HydrophobicContact CD1-CE1 3.26Å; L58-F380 HydrophobicContact CD1-CG 4.42Å; L58-F380 HydrophobicContact CD1-CZ 4.21Å
59	P	91.8	Very high	96	Very high	121 Å²	121	70 Å²	70	79%	0.786	39%	0.387	S	S	*	.	S	Bend	trans	-69.9	139.4	179.6	28.7	-33.9	0	0	0	111.1
60	G	90.3	Very high	96	Very high	66 Å²	66	78.3 Å²	78.3	68%	0.68	42%	0.418	S	S	*	.	S	Bend	trans	81.9	-167	174.5	0	0	0	0	0	114.4
61	T	93.4	Very high	96	Very high	114 Å²	114	78.2 Å²	78.2	70%	0.699	42%	0.42	S	S	*	.			trans	-105.8	159.4	175.5	48.9	0	0	0	0	110.2
62	P	96.3	Very high	96.1	Very high	18 Å²	18	74.9 Å²	74.9	12%	0.117	40%	0.403	C	S	.	.			trans	-54.2	135.1	173.7	-19.5	29.9	0	0	0	110.4	L49 E50 Y53 M66	L49-P62 HydrophobicContact CB-CG 4.18Å; L49-P62 HydrophobicContact CD2-CB 3.64Å; L49-P62 HydrophobicContact CD2-CG 3.97Å; L49-P62 HydrophobicContact CG-CB 4.04Å; L49-P62 HydrophobicContact CG-CG 3.78Å; E50-P62 HydrophobicContact CG-CG 4.09Å; Y53-P62 HydrophobicContact CD2-CB 4.32Å; Y53-P62 HydrophobicContact CD2-CG 3.71Å; Y53-P62 HydrophobicContact CE2-CB 3.9Å; Y53-P62 HydrophobicContact CE2-CG 3.82Å; Y53-P62 HydrophobicContact CG-CG 4.1Å; P62-M66 HydrophobicContact CB-CB 4.3Å; P62-M66 HydrophobicContact CB-CG 4.29Å
63	P	96.3	Very high	96.2	Very high	62 Å²	62	76.3 Å²	76.3	40%	0.403	41%	0.41	S	S	.	.			trans	-65.6	155.2	179.7	25.7	-31.5	0	0	0	110.9	S65 M66	P63-S65 PolarHBondContact O-N 3.28Å; P63-M66 HydrophobicContact CG-CE 4.29Å; P63-M66 HydrophobicContact CG-CG 3.87Å; P63-M66 WeakPolarHBondContact O-CB 3.27Å; P63-M66 PolarHBondContact O-N 3.28Å
64	E	95.4	Very high	96.2	Very high	193 Å²	193	75.7 Å²	75.7	90%	0.902	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-55.9	-26.2	-179.6	-66.3	-175.1	172.2	0	0	113.1	M66 G67	E64-M66 PolarHBondContact O-N 2.96Å; E64-M66 VanDerWaalsContact O-N 3.16Å; E64-G67 PolarHBondContact O-N 2.79Å; E64-G67 VanDerWaalsContact O-N 3.11Å
65	S	96.3	Very high	96.3	Very high	67 Å²	67	69.4 Å²	69.4	47%	0.469	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-60.3	-20.7	174.6	63.6	0	0	0	0	113.7	P63 G67 K348 E377	P63-S65 PolarHBondContact O-N 3.28Å; S65-G67 PolarHBondContact O-N 3.3Å; S65-K348 WeakPolarHBondContact O-CE 3.33Å; S65-K348 PolarHBondContact O-NZ 2.78Å; S65-E377 PolarHBondContact OG-OE1 3.39Å
66	M	97.3	Very high	96.4	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-78.6	-5.3	177.9	-63	-63.9	-175.4	0	0	113.3	L49 P62 P63 E64 W72 I303 A345 E377 Q378	L49-M66 HydrophobicContact CD2-CB 3.63Å; L49-M66 HydrophobicContact CD2-CG 3.95Å; P62-M66 HydrophobicContact CB-CB 4.3Å; P62-M66 HydrophobicContact CB-CG 4.29Å; P63-M66 HydrophobicContact CG-CE 4.29Å; P63-M66 HydrophobicContact CG-CG 3.87Å; P63-M66 WeakPolarHBondContact O-CB 3.27Å; P63-M66 PolarHBondContact O-N 3.28Å; E64-M66 PolarHBondContact O-N 2.96Å; E64-M66 VanDerWaalsContact O-N 3.16Å; M66-W72 HydrophobicContact CB-CZ2 4.2Å; M66-W72 VanDerWaalsContact O-CZ2 3.29Å; M66-W72 WeakPolarHBondContact O-CZ2 3.01Å; M66-W72 PolarHBondContact O-NE1 3.45Å; M66-W72 HydrophobicContact SD-CH2 4.42Å; M66-W72 HydrophobicContact SD-CZ2 4.28Å; M66-I303 HydrophobicContact CE-CB 4.44Å; M66-I303 HydrophobicContact CE-CD1 4.17Å; M66-I303 HydrophobicContact CE-CG2 4.09Å; M66-I303 HydrophobicContact SD-CD1 4.07Å; M66-I303 HydrophobicContact SD-CG2 3.71Å; M66-A345 VanDerWaalsContact O-CB 3.29Å; M66-A345 WeakPolarHBondContact O-CB 3.47Å; M66-E377 HydrophobicContact CE-CB 4.22Å; M66-E377 VanDerWaalsContact CE-CD 3.48Å; M66-E377 HydrophobicContact CE-CG 3.53Å; M66-E377 WeakPolarHBondContact CE-OE1 3.4Å; M66-E377 HydrophobicContact SD-CG 4.43Å; M66-Q378 HydrophobicContact CE-CB 3.86Å
67	G	97.1	Very high	96.4	Very high	44 Å²	44	63.6 Å²	63.6	45%	0.454	36%	0.357	S	S	.	.			trans	72.4	-157.6	-176.1	0	0	0	0	0	112.5	E64 S65	E64-G67 PolarHBondContact O-N 2.79Å; E64-G67 VanDerWaalsContact O-N 3.11Å; S65-G67 PolarHBondContact O-N 3.3Å
68	K	97.5	Very high	96.2	Very high	127 Å²	127	55.6 Å²	55.6	55%	0.552	32%	0.321	S	S	*	.			trans	-80.3	126.5	-175.7	-62.4	176.4	-178.2	173.3	0	110.1	R70 D71 W72	K68-R70 VanDerWaalsContact C-N 3.26Å; K68-R70 HydrophobicContact CB-CG 4.42Å; K68-R70 PolarHBondContact O-N 3.08Å; K68-R70 VanDerWaalsContact O-N 3.15Å; K68-D71 WeakPolarHBondContact O-CB 3.44Å; K68-D71 PolarHBondContact O-N 2.97Å; K68-W72 VanDerWaalsContact O-CD1 3.28Å
69	G	97.6	Very high	96.3	Very high	8 Å²	8	53.4 Å²	53.4	8%	0.082	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-53.8	-36.1	-178.3	0	0	0	0	0	115.1	P48 L49 E50 D71 W72	P48-G69 WeakPolarHBondContact CA-O 3.43Å; P48-G69 WeakPolarHBondContact CB-O 3.48Å; L49-G69 PolarHBondContact N-O 2.99Å; E50-G69 WeakPolarHBondContact OE2-CA 3.41Å; G69-D71 PolarHBondContact O-N 3.24Å; G69-W72 WeakPolarHBondContact O-CB 3.28Å; G69-W72 PolarHBondContact O-N 3.16Å
70	R	97.4	Very high	96.5	Very high	175 Å²	175	47.7 Å²	47.7	66%	0.66	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-67.4	-16	178.6	74.9	-174.5	-177	-168.2	4.5	115.2	K68 W72	K68-R70 VanDerWaalsContact C-N 3.26Å; K68-R70 HydrophobicContact CB-CG 4.42Å; K68-R70 PolarHBondContact O-N 3.08Å; K68-R70 VanDerWaalsContact O-N 3.15Å; R70-W72 PolarHBondContact O-N 3.04Å
71	D	98	Very high	96.9	Very high	65 Å²	65	44.5 Å²	44.5	35%	0.348	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-82.3	0.7	178.1	-58.9	-12.8	0	0	0	110.7	K68 G69 V343 A344 A345	K68-D71 WeakPolarHBondContact O-CB 3.44Å; K68-D71 PolarHBondContact O-N 2.97Å; G69-D71 PolarHBondContact O-N 3.24Å; D71-V343 CarbonylContact O-C 3.51Å; D71-A344 CarbonylContact O-C 3.55Å; D71-A344 WeakPolarHBondContact O-CA 3.45Å; D71-A344 PolarHBondContact O-N 2.86Å; D71-A345 HydrophobicContact CB-CB 4.35Å
72	W	98.6	Very high	97	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.			trans	-103	132.8	178.7	-62.6	79.2	0	0	0	111.3	T47 L49 M66 K68 G69 R70 V74 I303 V343 A344 A345 K348 I350	T47-W72 WeakPolarHBondContact CB-O 3.07Å; T47-W72 PolarHBondContact OG1-O 3.21Å; L49-W72 HydrophobicContact CB-CB 4.03Å; L49-W72 HydrophobicContact CB-CD2 4.29Å; L49-W72 HydrophobicContact CB-CG 3.77Å; L49-W72 HydrophobicContact CD1-CD2 4.1Å; L49-W72 HydrophobicContact CD1-CE3 4.13Å; L49-W72 HydrophobicContact CD1-CG 4.35Å; L49-W72 HydrophobicContact CD2-CD2 4Å; L49-W72 HydrophobicContact CD2-CG 4.28Å; L49-W72 HydrophobicContact CD2-CZ2 4.04Å; L49-W72 HydrophobicContact CG-CD2 4.36Å; L49-W72 HydrophobicContact CG-CG 4.35Å; M66-W72 HydrophobicContact CB-CZ2 4.2Å; M66-W72 VanDerWaalsContact O-CZ2 3.29Å; M66-W72 WeakPolarHBondContact O-CZ2 3.01Å; M66-W72 PolarHBondContact O-NE1 3.45Å; M66-W72 HydrophobicContact SD-CH2 4.42Å; M66-W72 HydrophobicContact SD-CZ2 4.28Å; K68-W72 VanDerWaalsContact O-CD1 3.28Å; G69-W72 WeakPolarHBondContact O-CB 3.28Å; G69-W72 PolarHBondContact O-N 3.16Å; R70-W72 PolarHBondContact O-N 3.04Å; W72-V74 HydrophobicContact CB-CG2 4.23Å; W72-V74 HydrophobicContact CE3-CG2 3.98Å; W72-I303 HydrophobicContact CH2-CB 4.44Å; W72-I303 HydrophobicContact CH2-CD1 3.8Å; W72-I303 HydrophobicContact CH2-CG1 4.02Å; W72-I303 HydrophobicContact CH2-CG2 3.6Å; W72-I303 HydrophobicContact CZ3-CD1 3.74Å; W72-I303 HydrophobicContact CZ3-CG1 3.83Å; W72-I303 HydrophobicContact CZ3-CG2 4.21Å; W72-V343 CarbonylContact C-O 3.57Å; W72-V343 VanDerWaalsContact CA-O 3.3Å; W72-V343 WeakPolarHBondContact CA-O 3.25Å; W72-A344 HydrophobicContact CD2-CB 4.33Å; W72-A344 HydrophobicContact CE3-CB 3.87Å; W72-A344 HydrophobicContact CH2-CB 4.2Å; W72-A344 HydrophobicContact CZ3-CB 3.79Å; W72-A345 HydrophobicContact CZ2-CB 4.23Å; W72-K348 HydrophobicContact CH2-CB 3.66Å; W72-K348 HydrophobicContact CH2-CG 3.94Å; W72-K348 HydrophobicContact CZ2-CB 3.96Å; W72-K348 HydrophobicContact CZ2-CG 3.82Å; W72-I350 HydrophobicContact CE3-CD1 4.01Å; W72-I350 HydrophobicContact CE3-CG1 4.25Å; W72-I350 HydrophobicContact CZ3-CD1 4.13Å; W72-I350 HydrophobicContact CZ3-CG1 3.84Å
73	N	98.3	Very high	96.9	Very high	29 Å²	29	38.5 Å²	38.5	16%	0.155	20%	0.202	C	C	.	.			trans	-134.7	90.6	170.5	-62.1	-73.6	0	0	0	106.7	S45 Y229 N342 V343	S45-N73 VanDerWaalsContact OG-C 3.26Å; S45-N73 PolarHBondContact OG-O 3.41Å; N73-Y229 VanDerWaalsContact CB-O 3.25Å; N73-Y229 WeakPolarHBondContact CB-O 3.46Å; N73-N342 PolarHBondContact ND2-O 3.46Å; N73-V343 HydrophobicContact CB-CG1 4.4Å; N73-V343 PolarHBondContact N-O 2.84Å; N73-V343 WeakPolarHBondContact O-CB 3.31Å
74	V	98.4	Very high	96.8	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	105.8	-168.2	-171.8	0	0	0	0	110.4	I46 L52 W72 L76 I301 I350	I46-V74 PolarHBondContact N-O 3.46Å; I46-V74 PolarHBondContact O-N 3.27Å; L52-V74 HydrophobicContact CD1-CB 4.42Å; L52-V74 HydrophobicContact CD1-CG1 4.33Å; L52-V74 HydrophobicContact CD2-CB 3.99Å; L52-V74 HydrophobicContact CD2-CG1 3.83Å; L52-V74 HydrophobicContact CD2-CG2 3.96Å; W72-V74 HydrophobicContact CB-CG2 4.23Å; W72-V74 HydrophobicContact CE3-CG2 3.98Å; V74-L76 PolarHBondContact O-N 3.04Å; V74-I301 HydrophobicContact CG1-CD1 4.11Å; V74-I301 HydrophobicContact CG1-CG2 3.89Å; V74-I350 HydrophobicContact CG1-CD1 4.44Å; V74-I350 HydrophobicContact CG1-CG2 4.31Å; V74-I350 HydrophobicContact CG2-CD1 3.87Å
75	D	98.3	Very high	96.6	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.011	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	132	174.2	-65.4	-12.7	0	0	0	111.8	S45 P78 Y226 L231 I352	S45-D75 WeakPolarHBondContact CB-OD1 3.49Å; S45-D75 PolarHBondContact OG-OD1 3.48Å; D75-P78 HydrophobicContact CB-CB 4.27Å; D75-Y226 VanDerWaalsContact CG-OH 3.31Å; D75-Y226 PolarHBondContact OD2-OH 3.32Å; D75-L231 PolarHBondContact OD1-N 3.41Å; D75-L231 VanDerWaalsContact OD1-N 3.13Å; D75-L231 VanDerWaalsContact OD2-CB 3.26Å; D75-L231 WeakPolarHBondContact OD2-CB 3.48Å; D75-L231 WeakPolarHBondContact OD2-CD1 3.41Å; D75-L231 WeakPolarHBondContact OD2-CG 3.43Å; D75-L231 PolarHBondContact OD2-N 3.39Å; D75-I352 WeakPolarHBondContact O-CD1 3.23Å
76	L	97.7	Very high	96.3	Very high	14 Å²	14	29.4 Å²	29.4	7%	0.073	15%	0.148	C	C	.	.	S	Bend	trans	-73.9	-29.7	172.6	-61.6	178.2	0	0	0	112.5	A44 I46 L52 F56 V74 R299 I301	A44-L76 HydrophobicContact CB-CD1 4.46Å; A44-L76 WeakPolarHBondContact O-CG 3.44Å; A44-L76 PolarHBondContact O-N 3.37Å; I46-L76 HydrophobicContact CD1-CD1 4.09Å; I46-L76 HydrophobicContact CD1-CG 4.37Å; I46-L76 HydrophobicContact CG1-CD1 4.16Å; I46-L76 HydrophobicContact CG1-CD2 3.87Å; I46-L76 HydrophobicContact CG1-CG 3.93Å; L52-L76 HydrophobicContact CD1-CD2 4.21Å; F56-L76 HydrophobicContact CE2-CD2 3.99Å; F56-L76 HydrophobicContact CZ-CD2 4.29Å; V74-L76 PolarHBondContact O-N 3.04Å; L76-R299 VanDerWaalsContact O-CD 3.28Å; L76-R299 WeakPolarHBondContact O-CD 3.36Å; L76-I301 HydrophobicContact CD2-CD1 4.32Å
77	V	96.9	Very high	96.1	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.042	15%	0.149	C	C	.	.	S	Bend	trans	-133.2	77.2	179.5	-172.9	0	0	0	0	109.4	E42 K79 L231 Y404	E42-V77 WeakPolarHBondContact O-CG2 3.32Å; V77-K79 HydrophobicContact CG1-CD 4.49Å; V77-L231 WeakPolarHBondContact O-CD1 3.37Å; V77-Y404 HydrophobicContact CG1-CG 4.3Å
78	P	92.3	Very high	95.9	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.032	13%	0.132	C	C	.	.			trans	-70.3	134.7	179.4	33.8	-41.3	0	0	0	111	D75 C335 I352	D75-P78 HydrophobicContact CB-CB 4.27Å; P78-C335 VanDerWaalsContact CB-SG 3.51Å; P78-C335 WeakPolarHBondContact CG-SG 3.35Å; P78-I352 HydrophobicContact CB-CD1 4.02Å; P78-I352 HydrophobicContact CG-CB 3.67Å; P78-I352 HydrophobicContact CG-CD1 3.43Å; P78-I352 VanDerWaalsContact CG-CD1 3.43Å; P78-I352 HydrophobicContact CG-CG1 4Å; P78-I352 HydrophobicContact CG-CG2 3.71Å
79	K	96.8	Very high	95.5	Very high	1 Å²	1	27 Å²	27	0%	0.004	12%	0.124	C	C	.	.			trans	-145.6	137.7	177.7	-73.6	177.7	179.3	-68.7	0	108.9	V77 L231 D405 T407 T408 H409 F410	V77-K79 HydrophobicContact CG1-CD 4.49Å; K79-L231 HydrophobicContact CB-CD1 4.41Å; K79-D405 PolarHBondContact NZ-O 2.8Å; K79-D405 IonicContact NZ-OD1 2.89Å; K79-D405 PolarHBondContact NZ-OD1 2.98Å; K79-T407 PolarHBondContact NZ-O 2.88Å; K79-T407 PolarHBondContact NZ-OG1 2.84Å; K79-T408 CarbonylContact C-O 3.51Å; K79-T408 WeakPolarHBondContact CA-O 3.35Å; K79-H409 WeakPolarHBondContact CD-O 3.4Å; K79-H409 PolarHBondContact NZ-O 3.24Å; K79-F410 HydrophobicContact CB-CD1 3.92Å; K79-F410 HydrophobicContact CB-CD2 3.7Å; K79-F410 HydrophobicContact CB-CE1 3.64Å; K79-F410 HydrophobicContact CB-CE2 3.45Å; K79-F410 VanDerWaalsContact CB-CE2 3.45Å; K79-F410 HydrophobicContact CB-CG 3.96Å; K79-F410 HydrophobicContact CB-CZ 3.43Å; K79-F410 VanDerWaalsContact CB-CZ 3.43Å; K79-F410 HydrophobicContact CD-CD1 3.57Å; K79-F410 HydrophobicContact CD-CE1 3.51Å; K79-F410 HydrophobicContact CD-CG 4.25Å; K79-F410 HydrophobicContact CD-CZ 4.21Å; K79-F410 HydrophobicContact CG-CD1 4.39Å; K79-F410 HydrophobicContact CG-CE1 4.17Å; K79-F410 HydrophobicContact CG-CZ 4.4Å; K79-F410 WeakPolarHBondContact O-CE2 3.48Å
80	F	97.6	Very high	95.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-90	148.3	175	-65.2	-34.7	0	0	0	111.8	I105 Y224 Y226 Q318 C335 I337 T408 H409 F410	F80-I105 HydrophobicContact CD1-CD1 3.8Å; F80-I105 HydrophobicContact CD1-CG1 3.76Å; F80-I105 HydrophobicContact CD2-CG1 4.27Å; F80-I105 HydrophobicContact CE1-CD1 3.29Å; F80-I105 HydrophobicContact CE1-CG1 3.69Å; F80-I105 HydrophobicContact CE2-CD1 4.4Å; F80-I105 HydrophobicContact CE2-CG1 4.19Å; F80-I105 HydrophobicContact CE2-CG2 4.11Å; F80-I105 HydrophobicContact CG-CG1 4.07Å; F80-I105 HydrophobicContact CZ-CD1 3.63Å; F80-I105 HydrophobicContact CZ-CG1 3.9Å; F80-I105 HydrophobicContact CZ-CG2 4.17Å; F80-Y224 HydrophobicContact CB-CD1 3.84Å; F80-Y224 HydrophobicContact CB-CG 3.99Å; F80-Y224 HydrophobicContact CD2-CD2 4.43Å; F80-Y224 HydrophobicContact CD2-CG 4.18Å; F80-Y224 HydrophobicContact CG-CG 4.4Å; F80-Y226 AromaticContact CD1-CD2 3.71Å; F80-Y226 HydrophobicContact CD1-CD2 3.71Å; F80-Y226 HydrophobicContact CD1-CG 4.14Å; F80-Y226 AromaticContact CE1-CD2 3.9Å; F80-Y226 HydrophobicContact CE1-CD2 3.9Å; F80-Y226 HydrophobicContact CE1-CG 4.15Å; F80-Q318 HydrophobicContact CD2-CB 4.14Å; F80-Q318 HydrophobicContact CE2-CB 3.94Å; F80-C335 HydrophobicContact CD2-CB 4.44Å; F80-C335 HydrophobicContact CE1-CB 4.35Å; F80-C335 HydrophobicContact CE2-CB 3.63Å; F80-C335 HydrophobicContact CZ-CB 3.59Å; F80-I337 HydrophobicContact CE1-CG2 3.81Å; F80-I337 HydrophobicContact CZ-CG2 4.19Å; F80-T408 PolarHBondContact N-O 3.03Å; F80-H409 VanDerWaalsContact O-CA 3.25Å; F80-H409 WeakPolarHBondContact O-CA 3.29Å; F80-F410 WeakPolarHBondContact O-CD2 3.44Å; F80-F410 PolarHBondContact O-N 3.21Å
81	L	97	Very high	94.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.5	175.1	-60.2	86.3	0	0	0	108.8	A83 L87 V88 L91 F102 Y224 L225 L231 F410	L81-A83 PolarHBondContact O-N 3.4Å; L81-L87 HydrophobicContact CD2-CD2 3.88Å; L81-L87 HydrophobicContact CD2-CG 4.16Å; L81-L87 HydrophobicContact CG-CD2 4.03Å; L81-V88 HydrophobicContact CB-CG2 3.84Å; L81-V88 HydrophobicContact CD2-CG2 4.03Å; L81-L91 HydrophobicContact CD2-CD1 3.53Å; L81-F102 HydrophobicContact CD1-CD1 4.5Å; L81-F102 HydrophobicContact CD1-CE1 3.98Å; L81-F102 HydrophobicContact CD2-CE1 3.84Å; L81-F102 HydrophobicContact CD2-CZ 4.28Å; L81-Y224 CarbonylContact O-C 3.58Å; L81-Y224 WeakPolarHBondContact O-CA 3.28Å; L81-L225 HydrophobicContact CB-CB 4.25Å; L81-L225 WeakPolarHBondContact CD1-O 3.13Å; L81-L225 PolarHBondContact N-O 3.46Å; L81-L225 PolarHBondContact O-N 2.92Å; L81-L231 HydrophobicContact CD1-CD2 4.4Å; L81-F410 HydrophobicContact CD1-CD2 4.27Å; L81-F410 HydrophobicContact CD1-CE2 4.02Å; L81-F410 HydrophobicContact CG-CD2 3.9Å; L81-F410 HydrophobicContact CG-CE2 4.11Å
82	M	95.7	Very high	94.3	Very high	6 Å²	6	19 Å²	19	3%	0.03	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	125.8	167.8	-174.9	65.9	70.2	0	0	109	N84 G85 V88 L191 L211 Y212 S215 P223 Y224 E411	M82-N84 VanDerWaalsContact C-N 3.31Å; M82-N84 PolarHBondContact O-N 2.98Å; M82-G85 WeakPolarHBondContact O-CA 3.48Å; M82-G85 PolarHBondContact O-N 3.25Å; M82-V88 WeakPolarHBondContact O-CG2 3.4Å; M82-L191 HydrophobicContact CE-CD1 3.39Å; M82-L211 HydrophobicContact CG-CD1 4.06Å; M82-L211 HydrophobicContact CG-CD2 4.02Å; M82-L211 HydrophobicContact CG-CG 3.81Å; M82-Y212 HydrophobicContact CE-CD2 4.28Å; M82-S215 WeakPolarHBondContact CG-OG 3.34Å; M82-S215 VanDerWaalsContact SD-CB 3.58Å; M82-S215 PolarHBondContact SD-OG 3Å; M82-P223 HydrophobicContact SD-CB 3.66Å; M82-P223 HydrophobicContact SD-CG 4.16Å; M82-Y224 HydrophobicContact CE-CE1 3.82Å; M82-Y224 HydrophobicContact SD-CE1 4.48Å; M82-E411 WeakPolarHBondContact CB-OE1 3.45Å
83	A	95.2	Very high	93.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-38.9	-170.8	0	0	0	0	0	114.5	L81 R218 Y219 P223 L225	L81-A83 PolarHBondContact O-N 3.4Å; A83-R218 PolarHBondContact O-NH1 3.45Å; A83-Y219 HydrophobicContact CB-CD2 3.65Å; A83-Y219 HydrophobicContact CB-CE2 3.4Å; A83-Y219 VanDerWaalsContact CB-CE2 3.4Å; A83-P223 WeakPolarHBondContact CB-O 3.37Å; A83-P223 PolarHBondContact N-O 2.91Å; A83-L225 HydrophobicContact CB-CD1 4.4Å; A83-L225 HydrophobicContact CB-CG 4.35Å
84	N	92.9	Very high	92.9	Very high	46 Å²	46	17.9 Å²	17.9	25%	0.246	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	13.5	174	-62.5	-5.2	0	0	0	112	M82 L211 E214 S215 R218	M82-N84 VanDerWaalsContact C-N 3.31Å; M82-N84 PolarHBondContact O-N 2.98Å; N84-L211 VanDerWaalsContact C-CD1 3.49Å; N84-L211 HydrophobicContact CB-CD1 3.75Å; N84-L211 VanDerWaalsContact O-CD1 3.3Å; N84-L211 WeakPolarHBondContact O-CD1 3.46Å; N84-E214 VanDerWaalsContact ND2-C 3.31Å; N84-E214 WeakPolarHBondContact ND2-CB 3.39Å; N84-E214 PolarHBondContact ND2-O 2.83Å; N84-S215 WeakPolarHBondContact CB-OG 3.13Å; N84-S215 PolarHBondContact N-OG 3.34Å; N84-R218 PolarHBondContact OD1-NE 3.07Å; N84-R218 VanDerWaalsContact OD1-NE 3.09Å; N84-R218 PolarHBondContact OD1-NH1 3.3Å; N84-R218 PolarHBondContact OD1-NH2 3.17Å
85	G	92.1	Very high	92.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.01	9%	0.087	C	C	.	.	S	Bend	trans	-69.3	161.6	-176.8	0	0	0	0	0	113.1	M82 L87 V88 R89	M82-G85 WeakPolarHBondContact O-CA 3.48Å; M82-G85 PolarHBondContact O-N 3.25Å; G85-L87 VanDerWaalsContact C-N 3.26Å; G85-L87 PolarHBondContact O-N 2.64Å; G85-V88 PolarHBondContact O-N 3.04Å; G85-R89 PolarHBondContact O-N 3.02Å
86	Q	90.6	Very high	91.9	Very high	84 Å²	84	18 Å²	18	39%	0.393	9%	0.086	S	C	.	.	H	α-helix	trans	-61.9	-35.1	-178.9	-71.8	-178.9	10.7	0	0	112.2	R89 M90 C414 K418 F431	Q86-R89 WeakPolarHBondContact O-CB 3.5Å; Q86-R89 PolarHBondContact O-N 3.21Å; Q86-M90 WeakPolarHBondContact O-CG 3.43Å; Q86-M90 PolarHBondContact O-N 2.87Å; Q86-C414 WeakPolarHBondContact CB-SG 3.4Å; Q86-K418 VanDerWaalsContact OE1-CD 3.22Å; Q86-F431 HydrophobicContact CB-CZ 3.91Å; Q86-F431 HydrophobicContact CG-CE2 4.35Å; Q86-F431 HydrophobicContact CG-CZ 4.14Å
87	L	91.6	Very high	91.5	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-62	-48.9	176.5	178.7	61.3	0	0	0	111.7	L14 I18 L81 G85 R89 M90 L91 F410	L14-L87 HydrophobicContact CD2-CD2 4.44Å; I18-L87 HydrophobicContact CD1-CD1 3.38Å; L81-L87 HydrophobicContact CD2-CD2 3.88Å; L81-L87 HydrophobicContact CD2-CG 4.16Å; L81-L87 HydrophobicContact CG-CD2 4.03Å; G85-L87 VanDerWaalsContact C-N 3.26Å; G85-L87 PolarHBondContact O-N 2.64Å; L87-R89 PolarHBondContact O-N 3.31Å; L87-M90 WeakPolarHBondContact O-CA 3.29Å; L87-M90 WeakPolarHBondContact O-CB 3.44Å; L87-M90 PolarHBondContact O-N 2.78Å; L87-L91 WeakPolarHBondContact O-CG 3.5Å; L87-L91 PolarHBondContact O-N 3.38Å; L87-F410 HydrophobicContact CB-CB 4.48Å; L87-F410 HydrophobicContact CD2-CB 3.41Å; L87-F410 VanDerWaalsContact CD2-CB 3.41Å; L87-F410 HydrophobicContact CD2-CD1 4.02Å; L87-F410 HydrophobicContact CD2-CD2 3.47Å; L87-F410 VanDerWaalsContact CD2-CD2 3.47Å; L87-F410 HydrophobicContact CD2-CE2 4.14Å; L87-F410 HydrophobicContact CD2-CG 3.36Å
88	V	92.9	Very high	91.1	Very high	15 Å²	15	25.4 Å²	25.4	9%	0.091	12%	0.117	C	C	.	.	H	α-helix	trans	-58.3	-40.7	177.1	175	0	0	0	0	110.6	L81 M82 G85 M90 L91 L92 L225	L81-V88 HydrophobicContact CB-CG2 3.84Å; L81-V88 HydrophobicContact CD2-CG2 4.03Å; M82-V88 WeakPolarHBondContact O-CG2 3.4Å; G85-V88 PolarHBondContact O-N 3.04Å; V88-M90 PolarHBondContact O-N 2.97Å; V88-L91 PolarHBondContact O-N 2.87Å; V88-L92 HydrophobicContact CG1-CD1 4.1Å; V88-L92 HydrophobicContact CG1-CG 4.46Å; V88-L92 WeakPolarHBondContact O-CG 3.36Å; V88-L92 PolarHBondContact O-N 3.18Å; V88-L225 HydrophobicContact CG2-CD1 4.44Å
89	R	90.4	Very high	90.9	Very high	102 Å²	102	28 Å²	28	39%	0.385	13%	0.127	S	C	.	.	H	α-helix	trans	-61.4	-42.7	174.9	-164.4	176.8	178.4	-173	1.2	112.1	G85 Q86 L87 L91 L92 I93 F431 E435	G85-R89 PolarHBondContact O-N 3.02Å; Q86-R89 WeakPolarHBondContact O-CB 3.5Å; Q86-R89 PolarHBondContact O-N 3.21Å; L87-R89 PolarHBondContact O-N 3.31Å; R89-L91 PolarHBondContact O-N 2.83Å; R89-L92 PolarHBondContact O-N 3.44Å; R89-I93 HydrophobicContact CG-CD1 4.03Å; R89-I93 WeakPolarHBondContact O-CD1 3.35Å; R89-I93 VanDerWaalsContact O-CG1 3.24Å; R89-I93 WeakPolarHBondContact O-CG1 3.35Å; R89-I93 PolarHBondContact O-N 3.4Å; R89-F431 HydrophobicContact CB-CD1 4.07Å; R89-F431 HydrophobicContact CB-CE1 3.82Å; R89-F431 HydrophobicContact CG-CD1 3.58Å; R89-F431 HydrophobicContact CG-CE1 3.88Å; R89-F431 HydrophobicContact CG-CG 4.5Å; R89-E435 IonicContact CZ-OE1 3.88Å; R89-E435 VanDerWaalsContact CZ-OE1 3.28Å; R89-E435 IonicContact NE-OE1 2.79Å; R89-E435 PolarHBondContact NE-OE1 2.98Å; R89-E435 IonicContact NH2-OE1 2.94Å; R89-E435 PolarHBondContact NH2-OE1 2.98Å; R89-E435 IonicContact NH2-OE2 3.94Å; R89-E435 PolarHBondContact NH2-OE2 2.61Å
90	M	88.9	Confident	90.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-60	-44.3	173.9	-68	-179.8	-178.6	0	0	111.7	I18 Q86 L87 V88 L92 I93 T94 I417 K418 F429 F431	I18-M90 HydrophobicContact CG2-SD 4.22Å; Q86-M90 WeakPolarHBondContact O-CG 3.43Å; Q86-M90 PolarHBondContact O-N 2.87Å; L87-M90 WeakPolarHBondContact O-CA 3.29Å; L87-M90 WeakPolarHBondContact O-CB 3.44Å; L87-M90 PolarHBondContact O-N 2.78Å; V88-M90 PolarHBondContact O-N 2.97Å; M90-L92 PolarHBondContact O-N 2.94Å; M90-I93 PolarHBondContact O-N 3.07Å; M90-T94 WeakPolarHBondContact O-CG2 3.18Å; M90-T94 PolarHBondContact O-N 2.89Å; M90-T94 PolarHBondContact O-OG1 2.88Å; M90-I417 HydrophobicContact CE-CG2 4.09Å; M90-I417 HydrophobicContact SD-CG2 3.94Å; M90-K418 HydrophobicContact CE-CD 4.11Å; M90-K418 HydrophobicContact CE-CG 3.6Å; M90-F429 HydrophobicContact CE-CD1 4.13Å; M90-F429 HydrophobicContact CE-CE1 4.09Å; M90-F429 HydrophobicContact CE-CG 4.48Å; M90-F429 HydrophobicContact CE-CZ 4.41Å; M90-F429 HydrophobicContact CG-CE1 4.19Å; M90-F429 HydrophobicContact CG-CZ 4.24Å; M90-F431 HydrophobicContact CE-CE1 4.39Å; M90-F431 HydrophobicContact CE-CZ 3.85Å; M90-F431 HydrophobicContact CG-CE1 3.66Å; M90-F431 HydrophobicContact CG-CZ 4.05Å
91	L	90.4	Very high	90.7	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-41.4	178.1	-59.5	177.4	0	0	0	112.3	L81 L87 V88 R89 I93 T94 Q95 V96 T97 F102 L234 F238	L81-L91 HydrophobicContact CD2-CD1 3.53Å; L87-L91 WeakPolarHBondContact O-CG 3.5Å; L87-L91 PolarHBondContact O-N 3.38Å; V88-L91 PolarHBondContact O-N 2.87Å; R89-L91 PolarHBondContact O-N 2.83Å; L91-I93 VanDerWaalsContact C-N 3.32Å; L91-I93 PolarHBondContact O-N 3.26Å; L91-T94 PolarHBondContact O-OG1 3.33Å; L91-T94 VanDerWaalsContact O-OG1 3.14Å; L91-Q95 PolarHBondContact O-N 3.36Å; L91-Q95 VanDerWaalsContact O-N 3.15Å; L91-V96 HydrophobicContact CB-CG1 3.84Å; L91-V96 HydrophobicContact CD2-CG1 3.5Å; L91-V96 VanDerWaalsContact CD2-CG1 3.5Å; L91-V96 HydrophobicContact CG-CG1 4.24Å; L91-V96 PolarHBondContact O-N 3.3Å; L91-T97 HydrophobicContact CB-CG2 3.73Å; L91-F102 HydrophobicContact CD1-CZ 3.8Å; L91-L234 HydrophobicContact CD1-CD2 3.88Å; L91-L234 HydrophobicContact CD2-CD2 3.91Å; L91-F238 HydrophobicContact CD2-CE2 3.53Å; L91-F238 HydrophobicContact CD2-CZ 3.66Å
92	L	88.3	Confident	90.7	Very high	79 Å²	79	37 Å²	37	41%	0.414	17%	0.172	S	C	.	.	H	α-helix	trans	-65.6	-36.2	177.2	-73.8	168.7	0	0	0	112.3	V88 R89 M90 Q95 T97 K438	V88-L92 HydrophobicContact CG1-CD1 4.1Å; V88-L92 HydrophobicContact CG1-CG 4.46Å; V88-L92 WeakPolarHBondContact O-CG 3.36Å; V88-L92 PolarHBondContact O-N 3.18Å; R89-L92 PolarHBondContact O-N 3.44Å; M90-L92 PolarHBondContact O-N 2.94Å; L92-Q95 PolarHBondContact O-N 3Å; L92-T97 HydrophobicContact CD2-CG2 4.06Å; L92-T97 HydrophobicContact CG-CG2 4.35Å; L92-K438 PolarHBondContact O-NZ 2.6Å
93	I	84.1	Confident	90.7	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-71.4	-44	179.3	-70.3	162.8	0	0	0	111.1	R89 M90 L91 Q95 F431 M434 E435	R89-I93 HydrophobicContact CG-CD1 4.03Å; R89-I93 WeakPolarHBondContact O-CD1 3.35Å; R89-I93 VanDerWaalsContact O-CG1 3.24Å; R89-I93 WeakPolarHBondContact O-CG1 3.35Å; R89-I93 PolarHBondContact O-N 3.4Å; M90-I93 PolarHBondContact O-N 3.07Å; L91-I93 VanDerWaalsContact C-N 3.32Å; L91-I93 PolarHBondContact O-N 3.26Å; I93-Q95 PolarHBondContact O-N 3.17Å; I93-F431 HydrophobicContact CD1-CB 4.31Å; I93-F431 HydrophobicContact CD1-CD1 3.53Å; I93-F431 HydrophobicContact CD1-CE1 4.35Å; I93-F431 HydrophobicContact CD1-CG 4.4Å; I93-M434 HydrophobicContact CD1-CB 4.4Å; I93-M434 HydrophobicContact CG2-CB 3.6Å; I93-M434 HydrophobicContact CG2-CE 4.43Å; I93-E435 HydrophobicContact CD1-CG 3.93Å; I93-E435 HydrophobicContact CG1-CG 3.71Å
94	T	83.6	Confident	90.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-72.5	-7.9	178	62.6	0	0	0	0	112.7	I22 M90 L91 V96 F238 L241	I22-T94 HydrophobicContact CG1-CG2 4.22Å; M90-T94 WeakPolarHBondContact O-CG2 3.18Å; M90-T94 PolarHBondContact O-N 2.89Å; M90-T94 PolarHBondContact O-OG1 2.88Å; L91-T94 PolarHBondContact O-OG1 3.33Å; L91-T94 VanDerWaalsContact O-OG1 3.14Å; T94-V96 PolarHBondContact O-N 3.33Å; T94-V96 VanDerWaalsContact O-N 3.16Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.25Å; T94-F238 HydrophobicContact CG2-CE1 4.09Å; T94-L241 HydrophobicContact CG2-CD2 4.47Å; T94-L241 WeakPolarHBondContact O-CD1 3.39Å; T94-L241 VanDerWaalsContact O-CD2 3.32Å; T94-L241 WeakPolarHBondContact O-CD2 3.38Å
95	Q	85.8	Confident	91.1	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.033	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	14.1	-175.6	-53.2	-163.9	-4.4	0	0	114.7	L91 L92 I93 T97 R98 K438 F442	L91-Q95 PolarHBondContact O-N 3.36Å; L91-Q95 VanDerWaalsContact O-N 3.15Å; L92-Q95 PolarHBondContact O-N 3Å; I93-Q95 PolarHBondContact O-N 3.17Å; Q95-T97 PolarHBondContact O-N 2.93Å; Q95-R98 WeakPolarHBondContact O-CB 3.48Å; Q95-R98 WeakPolarHBondContact O-CG 3.49Å; Q95-R98 PolarHBondContact O-N 3.48Å; Q95-R98 VanDerWaalsContact O-N 3.16Å; Q95-R98 VanDerWaalsContact OE1-NH2 3.08Å; Q95-K438 HydrophobicContact CG-CD 4.24Å; Q95-K438 HydrophobicContact CG-CG 4.26Å; Q95-F442 HydrophobicContact CB-CE2 4.48Å; Q95-F442 HydrophobicContact CB-CZ 4.26Å; Q95-F442 HydrophobicContact CG-CD2 3.96Å; Q95-F442 HydrophobicContact CG-CE1 4.49Å; Q95-F442 HydrophobicContact CG-CE2 3.8Å; Q95-F442 HydrophobicContact CG-CG 4.35Å; Q95-F442 HydrophobicContact CG-CZ 4.05Å; Q95-F442 VanDerWaalsContact OE1-CG 3.26Å
96	V	88.7	Confident	91.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-65.3	-21.6	177.3	74.1	0	0	0	0	111.8	L91 T94 R98 Y99 L100 G237 F238	L91-V96 HydrophobicContact CB-CG1 3.84Å; L91-V96 HydrophobicContact CD2-CG1 3.5Å; L91-V96 VanDerWaalsContact CD2-CG1 3.5Å; L91-V96 HydrophobicContact CG-CG1 4.24Å; L91-V96 PolarHBondContact O-N 3.3Å; T94-V96 PolarHBondContact O-N 3.33Å; T94-V96 VanDerWaalsContact O-N 3.16Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.25Å; V96-R98 PolarHBondContact O-N 3.36Å; V96-Y99 HydrophobicContact CG2-CD2 4.19Å; V96-Y99 PolarHBondContact O-N 3.04Å; V96-L100 HydrophobicContact CG1-CD1 4.08Å; V96-L100 HydrophobicContact CG2-CD1 4.26Å; V96-G237 WeakPolarHBondContact CG2-O 3.31Å; V96-F238 HydrophobicContact CB-CE1 4.42Å; V96-F238 HydrophobicContact CB-CZ 4.39Å; V96-F238 HydrophobicContact CG1-CE1 4.32Å; V96-F238 HydrophobicContact CG1-CE2 4.03Å; V96-F238 HydrophobicContact CG1-CZ 3.83Å; V96-F238 HydrophobicContact CG2-CD1 4.49Å; V96-F238 HydrophobicContact CG2-CD2 4.3Å; V96-F238 HydrophobicContact CG2-CE2 4.45Å; V96-F238 HydrophobicContact CG2-CG 4.32Å
97	T	89.9	Confident	91.6	Very high	41 Å²	41	37.1 Å²	37.1	25%	0.252	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-58.1	-17.8	173.8	56.3	0	0	0	0	113.6	L91 L92 Q95 Y99 L100 F102	L91-T97 HydrophobicContact CB-CG2 3.73Å; L92-T97 HydrophobicContact CD2-CG2 4.06Å; L92-T97 HydrophobicContact CG-CG2 4.35Å; Q95-T97 PolarHBondContact O-N 2.93Å; T97-Y99 PolarHBondContact O-N 3.49Å; T97-L100 PolarHBondContact O-N 3.04Å; T97-L100 VanDerWaalsContact O-O 3.08Å; T97-F102 HydrophobicContact CG2-CE2 4.33Å
98	R	88.8	Confident	91.8	Very high	136 Å²	136	37.1 Å²	37.1	51%	0.513	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-64.4	-16	171.7	-68	177.2	171.7	-178.2	-2.5	113.6	Q95 V96	Q95-R98 WeakPolarHBondContact O-CB 3.48Å; Q95-R98 WeakPolarHBondContact O-CG 3.49Å; Q95-R98 PolarHBondContact O-N 3.48Å; Q95-R98 VanDerWaalsContact O-N 3.16Å; Q95-R98 VanDerWaalsContact OE1-NH2 3.08Å; V96-R98 PolarHBondContact O-N 3.36Å
99	Y	88.3	Confident	92	Very high	59 Å²	59	37.3 Å²	37.3	23%	0.231	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-110.9	4.6	-179.1	-47.5	-51.9	0	0	0	112.5	V96 T97 R240 I244	V96-Y99 HydrophobicContact CG2-CD2 4.19Å; V96-Y99 PolarHBondContact O-N 3.04Å; T97-Y99 PolarHBondContact O-N 3.49Å; Y99-R240 HydrophobicContact CE1-CG 4.42Å; Y99-R240 VanDerWaalsContact CE1-CZ 3.41Å; Y99-R240 HydrophobicContact CE2-CB 4.43Å; Y99-R240 HydrophobicContact CE2-CG 4.14Å; Y99-I244 WeakPolarHBondContact OH-CD1 3.32Å
100	L	93.6	Very high	92.3	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.058	15%	0.154	C	C	.	.			trans	-133.1	124.3	-168.8	-59.1	170.3	0	0	0	109.9	V96 T97 F102 E233 L234	V96-L100 HydrophobicContact CG1-CD1 4.08Å; V96-L100 HydrophobicContact CG2-CD1 4.26Å; T97-L100 PolarHBondContact O-N 3.04Å; T97-L100 VanDerWaalsContact O-O 3.08Å; L100-F102 HydrophobicContact CB-CD2 4.25Å; L100-F102 HydrophobicContact CB-CE2 3.55Å; L100-F102 HydrophobicContact CB-CZ 4.01Å; L100-F102 HydrophobicContact CD1-CE2 4.03Å; L100-F102 HydrophobicContact CD1-CZ 3.88Å; L100-F102 HydrophobicContact CG-CE2 4.46Å; L100-E233 HydrophobicContact CD2-CB 3.62Å; L100-E233 WeakPolarHBondContact CD2-O 3.47Å; L100-L234 HydrophobicContact CD1-CD2 3.57Å
101	D	95.8	Very high	92.6	Very high	116 Å²	116	34.1 Å²	34.1	62%	0.62	16%	0.159	S	C	*	.			trans	-97.4	122.8	169.3	-71.6	-48.7	0	0	0	109.4	P227 L228	D101-P227 CarbonylContact O-C 3.56Å; D101-P227 WeakPolarHBondContact O-CA 3.29Å; D101-L228 HydrophobicContact CB-CB 4.36Å; D101-L228 HydrophobicContact CB-CD1 3.76Å; D101-L228 HydrophobicContact CB-CG 4.11Å; D101-L228 PolarHBondContact O-N 2.78Å
102	F	96.4	Very high	92.7	Very high	62 Å²	62	35.9 Å²	35.9	27%	0.272	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.6	178.4	-69.8	-85.5	0	0	0	111.4	L81 L91 T97 L100 L225 P227 L234	L81-F102 HydrophobicContact CD1-CD1 4.5Å; L81-F102 HydrophobicContact CD1-CE1 3.98Å; L81-F102 HydrophobicContact CD2-CE1 3.84Å; L81-F102 HydrophobicContact CD2-CZ 4.28Å; L91-F102 HydrophobicContact CD1-CZ 3.8Å; T97-F102 HydrophobicContact CG2-CE2 4.33Å; L100-F102 HydrophobicContact CB-CD2 4.25Å; L100-F102 HydrophobicContact CB-CE2 3.55Å; L100-F102 HydrophobicContact CB-CZ 4.01Å; L100-F102 HydrophobicContact CD1-CE2 4.03Å; L100-F102 HydrophobicContact CD1-CZ 3.88Å; L100-F102 HydrophobicContact CG-CE2 4.46Å; F102-L225 HydrophobicContact CB-CB 4.45Å; F102-L225 HydrophobicContact CD1-CB 4.22Å; F102-P227 HydrophobicContact CD1-CB 4.28Å; F102-P227 HydrophobicContact CE1-CB 4.09Å; F102-P227 HydrophobicContact CE1-CG 4.47Å; F102-L234 HydrophobicContact CZ-CD2 4.33Å
103	K	97.4	Very high	92.7	Very high	74 Å²	74	35.2 Å²	35.2	32%	0.322	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.9	170.6	-169.2	177.7	178.2	77	0	110.1	L225 Y226 L228 A340	K103-L225 WeakPolarHBondContact O-CA 3.42Å; K103-Y226 PolarHBondContact N-O 2.91Å; K103-Y226 PolarHBondContact O-N 3.47Å; K103-L228 HydrophobicContact CB-CD2 3.96Å; K103-L228 HydrophobicContact CD-CD2 4.17Å; K103-A340 VanDerWaalsContact CD-O 3.22Å; K103-A340 WeakPolarHBondContact CD-O 3.33Å; K103-A340 WeakPolarHBondContact CE-O 3.47Å
104	V	97.6	Very high	93	Very high	29 Å²	29	37.1 Å²	37.1	18%	0.176	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	131.3	175.7	-178.3	0	0	0	0	109.4	Y219 K221 L225	V104-Y219 HydrophobicContact CG1-CG 4.34Å; V104-Y219 HydrophobicContact CG2-CD1 3.51Å; V104-Y219 HydrophobicContact CG2-CD2 4.09Å; V104-Y219 HydrophobicContact CG2-CE1 4.15Å; V104-Y219 HydrophobicContact CG2-CG 3.48Å; V104-Y219 VanDerWaalsContact CG2-CG 3.48Å; V104-K221 HydrophobicContact CG1-CB 4.11Å; V104-L225 HydrophobicContact CB-CD2 4.39Å; V104-L225 HydrophobicContact CG2-CD2 3.74Å
105	I	98.1	Very high	93.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.			trans	-68.6	136.3	172.7	-59.9	-61.3	0	0	0	109.5	F80 G107 S222 Y224 Y226 S316 I337	F80-I105 HydrophobicContact CD1-CD1 3.8Å; F80-I105 HydrophobicContact CD1-CG1 3.76Å; F80-I105 HydrophobicContact CD2-CG1 4.27Å; F80-I105 HydrophobicContact CE1-CD1 3.29Å; F80-I105 HydrophobicContact CE1-CG1 3.69Å; F80-I105 HydrophobicContact CE2-CD1 4.4Å; F80-I105 HydrophobicContact CE2-CG1 4.19Å; F80-I105 HydrophobicContact CE2-CG2 4.11Å; F80-I105 HydrophobicContact CG-CG1 4.07Å; F80-I105 HydrophobicContact CZ-CD1 3.63Å; F80-I105 HydrophobicContact CZ-CG1 3.9Å; F80-I105 HydrophobicContact CZ-CG2 4.17Å; I105-G107 PolarHBondContact O-N 2.86Å; I105-S222 WeakPolarHBondContact CB-OG 3.47Å; I105-S222 WeakPolarHBondContact O-CB 3.22Å; I105-S222 PolarHBondContact O-OG 3.35Å; I105-Y224 PolarHBondContact N-O 2.92Å; I105-Y226 HydrophobicContact CD1-CG 4.47Å; I105-S316 WeakPolarHBondContact CA-OG 3.42Å; I105-I337 HydrophobicContact CD1-CG2 4.1Å
106	E	97.3	Very high	94	Very high	37 Å²	37	43.4 Å²	43.4	17%	0.173	23%	0.228	C	C	.	.	S	Bend	trans	-79.1	-20.4	-165.1	-66.6	-173.6	167.5	0	0	114.4	K221 I314 N315 S316	E106-K221 HydrophobicContact CB-CD 4.47Å; E106-K221 HydrophobicContact CG-CD 4.25Å; E106-K221 IonicContact OE1-NZ 2.64Å; E106-I314 HydrophobicContact CB-CB 3.88Å; E106-I314 HydrophobicContact CB-CD1 4.36Å; E106-I314 HydrophobicContact CB-CG2 4.2Å; E106-I314 WeakPolarHBondContact OE2-CA 3.35Å; E106-I314 WeakPolarHBondContact OE2-CB 3.42Å; E106-N315 PolarHBondContact OE2-N 3.33Å; E106-N315 PolarHBondContact OE2-ND2 3.19Å; E106-S316 WeakPolarHBondContact CB-O 3.38Å; E106-S316 PolarHBondContact N-O 2.97Å; E106-S316 PolarHBondContact N-OG 3.45Å
107	G	95.3	Very high	94.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	161	177	0	0	0	0	0	115.4	I105 S316 C317 Q318	I105-G107 PolarHBondContact O-N 2.86Å; G107-S316 PolarHBondContact N-O 3.23Å; G107-C317 CarbonylContact O-C 3.55Å; G107-C317 WeakPolarHBondContact O-CA 3.36Å; G107-C317 WeakPolarHBondContact O-CB 3.46Å; G107-Q318 PolarHBondContact O-N 2.96Å
108	S	96.2	Very high	94.4	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.028	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.1	173.8	-177.5	0	0	0	0	108.9	V119 Y212 Q318	S108-V119 PolarHBondContact O-N 2.87Å; S108-Y212 WeakPolarHBondContact CB-OH 3.08Å; S108-Y212 PolarHBondContact OG-OH 3.15Å; S108-Y212 VanDerWaalsContact OG-OH 3.07Å; S108-Q318 CarbonylContact C-O 3.59Å; S108-Q318 WeakPolarHBondContact CA-O 3.45Å
109	Y	96.4	Very high	94.5	Very high	19 Å²	19	42.2 Å²	42.2	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.2	-172.6	-58.4	-100.6	0	0	0	110.9	I116 Y117 K118 T311 I314 C317 Q318 I319 I320	Y109-I116 HydrophobicContact CD1-CD1 4.16Å; Y109-I116 HydrophobicContact CD1-CG1 4.38Å; Y109-I116 HydrophobicContact CG-CD1 4.33Å; Y109-Y117 CarbonylContact C-O 3.56Å; Y109-Y117 WeakPolarHBondContact CA-O 3.1Å; Y109-K118 HydrophobicContact CE1-CB 4.37Å; Y109-T311 HydrophobicContact CD2-CG2 4.46Å; Y109-T311 HydrophobicContact CE1-CG2 4.34Å; Y109-T311 HydrophobicContact CE2-CG2 4.14Å; Y109-T311 PolarHBondContact OH-O 3.07Å; Y109-I314 HydrophobicContact CE2-CD1 3.6Å; Y109-I314 VanDerWaalsContact OH-CD1 3.28Å; Y109-I314 WeakPolarHBondContact OH-CD1 3.46Å; Y109-C317 HydrophobicContact CD2-CB 3.93Å; Y109-C317 HydrophobicContact CE2-CB 3.8Å; Y109-Q318 PolarHBondContact N-O 2.88Å; Y109-I319 WeakPolarHBondContact O-CA 3.48Å; Y109-I320 PolarHBondContact O-N 2.82Å
110	V	96.6	Very high	94.5	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.3	171.4	62.6	0	0	0	0	109.5	I116 Y117 V119 L131 F184 S188 I320 P322	V110-I116 CarbonylContact O-C 3.51Å; V110-I116 WeakPolarHBondContact O-CA 3.28Å; V110-Y117 PolarHBondContact N-O 3.47Å; V110-Y117 PolarHBondContact O-N 3.41Å; V110-V119 HydrophobicContact CB-CG2 4.05Å; V110-V119 HydrophobicContact CG1-CG2 4.19Å; V110-L131 HydrophobicContact CG1-CD1 3.61Å; V110-L131 HydrophobicContact CG1-CD2 4.07Å; V110-L131 HydrophobicContact CG1-CG 4.47Å; V110-F184 HydrophobicContact CB-CB 4.49Å; V110-F184 HydrophobicContact CG1-CB 4.15Å; V110-F184 HydrophobicContact CG2-CB 3.96Å; V110-S188 WeakPolarHBondContact CB-OG 3.45Å; V110-S188 VanDerWaalsContact CG2-OG 3.28Å; V110-S188 WeakPolarHBondContact CG2-OG 3.45Å; V110-I320 CarbonylContact C-O 3.54Å; V110-I320 WeakPolarHBondContact CA-O 3.45Å; V110-P322 HydrophobicContact CG2-CG 3.77Å
111	Y	95.8	Very high	93.6	Very high	33 Å²	33	39.2 Å²	39.2	13%	0.129	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	135.9	174.6	-178.9	-85.2	0	0	0	111.2	G114 K115 I116 I320 I321 Q325 V326 L372	Y111-G114 VanDerWaalsContact CZ-CA 3.44Å; Y111-G114 VanDerWaalsContact OH-CA 3.23Å; Y111-G114 WeakPolarHBondContact OH-CA 3.44Å; Y111-G114 PolarHBondContact OH-N 2.83Å; Y111-K115 CarbonylContact C-O 3.57Å; Y111-K115 WeakPolarHBondContact CA-O 3.37Å; Y111-I116 HydrophobicContact CD2-CG2 4.29Å; Y111-I320 PolarHBondContact N-O 2.73Å; Y111-I321 HydrophobicContact CD1-CG2 3.83Å; Y111-I321 HydrophobicContact CE1-CG2 4.42Å; Y111-I321 HydrophobicContact CG-CG1 4.29Å; Y111-I321 HydrophobicContact CG-CG2 3.94Å; Y111-Q325 HydrophobicContact CD1-CB 3.97Å; Y111-Q325 HydrophobicContact CE1-CB 4.31Å; Y111-V326 HydrophobicContact CE1-CG1 4.22Å; Y111-L372 HydrophobicContact CD2-CD1 3.98Å; Y111-L372 HydrophobicContact CD2-CD2 4.32Å; Y111-L372 HydrophobicContact CE2-CD1 4.4Å; Y111-L372 HydrophobicContact CE2-CD2 4.26Å
112	K	92.2	Very high	92.8	Very high	39 Å²	39	36.5 Å²	36.5	17%	0.17	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	122.8	173.4	179.2	178.4	178	170.4	0	110.1	G114 K115 Y117 L131 E180	K112-G114 PolarHBondContact O-N 3.39Å; K112-K115 PolarHBondContact N-O 3.5Å; K112-K115 PolarHBondContact O-N 2.96Å; K112-K115 VanDerWaalsContact O-N 3.15Å; K112-Y117 HydrophobicContact CB-CD2 4.02Å; K112-Y117 HydrophobicContact CB-CE2 3.86Å; K112-L131 HydrophobicContact CB-CD2 4.15Å; K112-L131 HydrophobicContact CD-CD2 3.82Å; K112-L131 PolarHBondContact NZ-O 3.31Å; K112-E180 VanDerWaalsContact CE-CD 3.42Å; K112-E180 VanDerWaalsContact CE-OE1 3.29Å; K112-E180 WeakPolarHBondContact CE-OE1 3.47Å; K112-E180 WeakPolarHBondContact CE-OE2 3.5Å; K112-E180 IonicContact NZ-OE1 3.85Å; K112-E180 IonicContact NZ-OE2 3.55Å; K112-E180 PolarHBondContact NZ-OE2 2.89Å
113	G	88.6	Confident	92.1	Very high	65 Å²	65	37.3 Å²	37.3	67%	0.67	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	47.6	173.4	0	0	0	0	0	114.7
114	G	91.3	Very high	91.4	Very high	44 Å²	44	39.1 Å²	39.1	45%	0.454	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-5.4	177.6	0	0	0	0	0	115.9	Y111 K112	Y111-G114 VanDerWaalsContact CZ-CA 3.44Å; Y111-G114 VanDerWaalsContact OH-CA 3.23Å; Y111-G114 WeakPolarHBondContact OH-CA 3.44Å; Y111-G114 PolarHBondContact OH-N 2.83Å; K112-G114 PolarHBondContact O-N 3.39Å
115	K	93.3	Very high	90.8	Very high	130 Å²	130	39.7 Å²	39.7	57%	0.565	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	158.5	-175.4	-63.1	-178.8	-177.8	179.3	0	111.1	Y111 K112 Y117	Y111-K115 CarbonylContact C-O 3.57Å; Y111-K115 WeakPolarHBondContact CA-O 3.37Å; K112-K115 PolarHBondContact N-O 3.5Å; K112-K115 PolarHBondContact O-N 2.96Å; K112-K115 VanDerWaalsContact O-N 3.15Å; K115-Y117 HydrophobicContact CB-CE2 3.76Å
116	I	95.8	Very high	90.1	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	147.8	172.6	62.7	172.2	0	0	0	110.9	Y109 V110 Y111 I308 A309 N310 T311 I319 L372	Y109-I116 HydrophobicContact CD1-CD1 4.16Å; Y109-I116 HydrophobicContact CD1-CG1 4.38Å; Y109-I116 HydrophobicContact CG-CD1 4.33Å; V110-I116 CarbonylContact O-C 3.51Å; V110-I116 WeakPolarHBondContact O-CA 3.28Å; Y111-I116 HydrophobicContact CD2-CG2 4.29Å; I116-I308 HydrophobicContact CD1-CG2 4.33Å; I116-A309 WeakPolarHBondContact CD1-O 3.25Å; I116-N310 HydrophobicContact CG1-CB 4.13Å; I116-T311 HydrophobicContact CD1-CG2 3.61Å; I116-I319 HydrophobicContact CD1-CD1 4.12Å; I116-I319 HydrophobicContact CG2-CG2 3.71Å; I116-L372 HydrophobicContact CG2-CD1 3.79Å; I116-L372 HydrophobicContact CG2-CD2 4.07Å
117	Y	94.4	Very high	89.5	Confident	57 Å²	57	42 Å²	42	22%	0.224	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.1	179.9	-58.2	-94.4	0	0	0	109.6	Y109 V110 K112 K115 V119 S130 L131	Y109-Y117 CarbonylContact C-O 3.56Å; Y109-Y117 WeakPolarHBondContact CA-O 3.1Å; V110-Y117 PolarHBondContact N-O 3.47Å; V110-Y117 PolarHBondContact O-N 3.41Å; K112-Y117 HydrophobicContact CB-CD2 4.02Å; K112-Y117 HydrophobicContact CB-CE2 3.86Å; K115-Y117 HydrophobicContact CB-CE2 3.76Å; Y117-V119 PolarHBondContact O-N 2.8Å; Y117-S130 VanDerWaalsContact CD1-OG 3.28Å; Y117-S130 WeakPolarHBondContact CD1-OG 3.38Å; Y117-L131 HydrophobicContact CD1-CD2 4.24Å; Y117-L131 HydrophobicContact CD1-CG 4.44Å; Y117-L131 HydrophobicContact CD2-CD2 3.47Å; Y117-L131 VanDerWaalsContact CD2-CD2 3.47Å; Y117-L131 HydrophobicContact CD2-CG 4.42Å; Y117-L131 HydrophobicContact CE2-CD2 4.25Å; Y117-L131 HydrophobicContact CG-CD2 3.46Å; Y117-L131 VanDerWaalsContact CG-CD2 3.46Å; Y117-L131 HydrophobicContact CG-CG 3.92Å
118	K	93.3	Very high	89.1	Confident	91 Å²	91	45.8 Å²	45.8	40%	0.396	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	132.8	174.5	-166.9	-176	-175	-161.5	0	109.9	Y109 P120 E125	Y109-K118 HydrophobicContact CE1-CB 4.37Å; K118-P120 WeakPolarHBondContact O-CD 3.17Å; K118-E125 IonicContact NZ-OE1 2.78Å; K118-E125 PolarHBondContact NZ-OE1 3.44Å
119	V	91.9	Very high	88.6	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.018	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-68.9	118.3	177.9	178.8	0	0	0	0	109.4	S108 V110 Y117 L189	S108-V119 PolarHBondContact O-N 2.87Å; V110-V119 HydrophobicContact CB-CG2 4.05Å; V110-V119 HydrophobicContact CG1-CG2 4.19Å; Y117-V119 PolarHBondContact O-N 2.8Å; V119-L189 HydrophobicContact CG1-CD2 3.53Å; V119-L189 HydrophobicContact CG1-CG 4.07Å
120	P	86.6	Confident	88.2	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.013	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-79.7	124.6	177.4	30	-30.6	0	0	0	110.1	K118 E125 A126 L131 M132 F140 F184	K118-P120 WeakPolarHBondContact O-CD 3.17Å; P120-E125 HydrophobicContact CB-CB 4.16Å; P120-A126 HydrophobicContact CB-CB 4.44Å; P120-L131 HydrophobicContact CG-CD1 4.28Å; P120-M132 HydrophobicContact CG-CE 3.91Å; P120-F140 HydrophobicContact CG-CE1 4.13Å; P120-F184 HydrophobicContact CG-CE2 4.02Å; P120-F184 HydrophobicContact CG-CZ 4.25Å
121	S	76.5	Confident	87.7	Confident	6 Å²	6	49.9 Å²	49.9	4%	0.042	30%	0.297	C	S	.	.			trans	-136.2	0	-175	53.2	0	0	0	0	114	E125 S213 L216	S121-E125 PolarHBondContact N-OE2 2.85Å; S121-E125 VanDerWaalsContact N-OE2 3.13Å; S121-E125 PolarHBondContact OG-OE2 2.94Å; S121-S213 PolarHBondContact O-OG 3.5Å; S121-L216 WeakPolarHBondContact OG-CD2 3.49Å
122	T	78	Confident	87.4	Confident	59 Å²	59	48.9 Å²	48.9	36%	0.362	29%	0.293	S	S	.	.	S	Bend	trans	-120.5	163.5	167.5	66.9	0	0	0	0	110.7	T124 E125 A126 L216	T122-T124 VanDerWaalsContact C-N 3.28Å; T122-T124 PolarHBondContact O-N 3.36Å; T122-E125 PolarHBondContact O-N 2.85Å; T122-E125 WeakPolarHBondContact OG1-CB 3.27Å; T122-E125 VanDerWaalsContact OG1-CG 3.32Å; T122-E125 WeakPolarHBondContact OG1-CG 3.28Å; T122-E125 PolarHBondContact OG1-N 2.83Å; T122-A126 WeakPolarHBondContact O-CB 3.43Å; T122-A126 PolarHBondContact O-N 3.41Å; T122-L216 HydrophobicContact CG2-CD2 4.3Å
123	E	82.1	Confident	87.3	Confident	78 Å²	78	49.2 Å²	49.2	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-56.8	-42.5	175.2	-63.7	-174.3	-136.2	0	0	112.5	A126 L127 R141 V145	E123-A126 PolarHBondContact O-N 3.32Å; E123-L127 WeakPolarHBondContact O-CG 3.5Å; E123-L127 PolarHBondContact O-N 3.04Å; E123-L127 VanDerWaalsContact O-N 3.15Å; E123-R141 HydrophobicContact CB-CG 4.18Å; E123-R141 HydrophobicContact CG-CG 4.08Å; E123-R141 IonicContact OE2-CZ 3.26Å; E123-R141 IonicContact OE2-NE 2.72Å; E123-R141 PolarHBondContact OE2-NE 3.17Å; E123-R141 IonicContact OE2-NH2 3.67Å; E123-R141 PolarHBondContact OE2-NH2 3.35Å; E123-V145 HydrophobicContact CG-CG2 4.08Å; E123-V145 WeakPolarHBondContact OE1-CG2 3.2Å
124	T	82.9	Confident	87.3	Confident	113 Å²	113	51.3 Å²	51.3	69%	0.693	30%	0.303	S	S	*	.	H	α-helix	trans	-64.5	-46.1	179.8	-52.4	0	0	0	0	111	T122 L127 A128	T122-T124 VanDerWaalsContact C-N 3.28Å; T122-T124 PolarHBondContact O-N 3.36Å; T124-L127 PolarHBondContact O-N 2.93Å; T124-A128 PolarHBondContact O-N 2.92Å; T124-A128 VanDerWaalsContact O-N 3.1Å
125	E	84.8	Confident	87.2	Confident	40 Å²	40	56.1 Å²	56.1	19%	0.187	31%	0.311	C	S	.	.	H	α-helix	trans	-67.1	-37.9	177.5	-70.9	-177.9	151.5	0	0	112.4	K118 P120 S121 T122 L127 A128 S129	K118-E125 IonicContact NZ-OE1 2.78Å; K118-E125 PolarHBondContact NZ-OE1 3.44Å; P120-E125 HydrophobicContact CB-CB 4.16Å; S121-E125 PolarHBondContact N-OE2 2.85Å; S121-E125 VanDerWaalsContact N-OE2 3.13Å; S121-E125 PolarHBondContact OG-OE2 2.94Å; T122-E125 PolarHBondContact O-N 2.85Å; T122-E125 WeakPolarHBondContact OG1-CB 3.27Å; T122-E125 VanDerWaalsContact OG1-CG 3.32Å; T122-E125 WeakPolarHBondContact OG1-CG 3.28Å; T122-E125 PolarHBondContact OG1-N 2.83Å; E125-L127 VanDerWaalsContact C-N 3.3Å; E125-L127 PolarHBondContact O-N 2.8Å; E125-A128 PolarHBondContact O-N 3.26Å; E125-S129 WeakPolarHBondContact O-CB 3.37Å; E125-S129 PolarHBondContact O-N 2.93Å
126	A	83.8	Confident	87.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-41.2	176.3	0	0	0	0	0	111.9	P120 T122 E123 K137 F140 L144	P120-A126 HydrophobicContact CB-CB 4.44Å; T122-A126 WeakPolarHBondContact O-CB 3.43Å; T122-A126 PolarHBondContact O-N 3.41Å; E123-A126 PolarHBondContact O-N 3.32Å; A126-K137 WeakPolarHBondContact O-CG 3.39Å; A126-F140 HydrophobicContact CB-CD1 3.89Å; A126-F140 HydrophobicContact CB-CE1 4.3Å; A126-L144 HydrophobicContact CB-CD1 4.14Å
127	L	84	Confident	87	Confident	85 Å²	85	52.3 Å²	52.3	45%	0.445	30%	0.295	S	S	.	.	H	α-helix	trans	-71.8	-33	176.7	-66.8	176.4	0	0	0	112.4	E123 T124 E125 K137	E123-L127 WeakPolarHBondContact O-CG 3.5Å; E123-L127 PolarHBondContact O-N 3.04Å; E123-L127 VanDerWaalsContact O-N 3.15Å; T124-L127 PolarHBondContact O-N 2.93Å; E125-L127 VanDerWaalsContact C-N 3.3Å; E125-L127 PolarHBondContact O-N 2.8Å; L127-K137 WeakPolarHBondContact O-CD 3.32Å; L127-K137 PolarHBondContact O-NZ 3.26Å
128	A	86.3	Confident	86.9	Confident	82 Å²	82	56.3 Å²	56.3	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-79.4	-26.3	178	0	0	0	0	0	114.1	T124 E125	T124-A128 PolarHBondContact O-N 2.92Å; T124-A128 VanDerWaalsContact O-N 3.1Å; E125-A128 PolarHBondContact O-N 3.26Å
129	S	86.7	Confident	87	Confident	15 Å²	15	56 Å²	56	11%	0.105	31%	0.306	C	S	.	.			trans	-58.7	137.7	-169	-178.5	0	0	0	0	114.1	E125 L131 K137	E125-S129 WeakPolarHBondContact O-CB 3.37Å; E125-S129 PolarHBondContact O-N 2.93Å; S129-L131 VanDerWaalsContact C-N 3.3Å; S129-L131 WeakPolarHBondContact OG-CB 3.04Å; S129-L131 PolarHBondContact OG-N 2.85Å; S129-L131 VanDerWaalsContact OG-N 3.16Å; S129-K137 WeakPolarHBondContact O-CE 3.41Å; S129-K137 PolarHBondContact O-NZ 2.56Å
130	S	87.4	Confident	87.1	Confident	90 Å²	90	55.9 Å²	55.9	63%	0.629	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	1.2	172.1	46.8	0	0	0	0	113.8	Y117 M132	Y117-S130 VanDerWaalsContact CD1-OG 3.28Å; Y117-S130 WeakPolarHBondContact CD1-OG 3.38Å; S130-M132 VanDerWaalsContact C-N 3.29Å; S130-M132 PolarHBondContact O-N 3.38Å
131	L	87.1	Confident	87.5	Confident	6 Å²	6	60.7 Å²	60.7	3%	0.031	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-25	179.7	-77.4	170.7	0	0	0	113.9	V110 K112 Y117 P120 S129 F184	V110-L131 HydrophobicContact CG1-CD1 3.61Å; V110-L131 HydrophobicContact CG1-CD2 4.07Å; V110-L131 HydrophobicContact CG1-CG 4.47Å; K112-L131 HydrophobicContact CB-CD2 4.15Å; K112-L131 HydrophobicContact CD-CD2 3.82Å; K112-L131 PolarHBondContact NZ-O 3.31Å; Y117-L131 HydrophobicContact CD1-CD2 4.24Å; Y117-L131 HydrophobicContact CD1-CG 4.44Å; Y117-L131 HydrophobicContact CD2-CD2 3.47Å; Y117-L131 VanDerWaalsContact CD2-CD2 3.47Å; Y117-L131 HydrophobicContact CD2-CG 4.42Å; Y117-L131 HydrophobicContact CE2-CD2 4.25Å; Y117-L131 HydrophobicContact CG-CD2 3.46Å; Y117-L131 VanDerWaalsContact CG-CD2 3.46Å; Y117-L131 HydrophobicContact CG-CG 3.92Å; P120-L131 HydrophobicContact CG-CD1 4.28Å; S129-L131 VanDerWaalsContact C-N 3.3Å; S129-L131 WeakPolarHBondContact OG-CB 3.04Å; S129-L131 PolarHBondContact OG-N 2.85Å; S129-L131 VanDerWaalsContact OG-N 3.16Å; L131-F184 HydrophobicContact CD1-CD1 4.45Å
132	M	89.3	Confident	88.4	Confident	11 Å²	11	67.1 Å²	67.1	5%	0.054	35%	0.35	C	S	.	.	S	Bend	trans	-129.1	147.8	-168.8	-70.5	169.5	-79.4	0	0	111.6	P120 S130 E136 K137 F140 V181 F184	P120-M132 HydrophobicContact CG-CE 3.91Å; S130-M132 VanDerWaalsContact C-N 3.29Å; S130-M132 PolarHBondContact O-N 3.38Å; M132-E136 HydrophobicContact CB-CB 4.26Å; M132-E136 HydrophobicContact CB-CG 4.3Å; M132-E136 HydrophobicContact CG-CG 4.15Å; M132-E136 HydrophobicContact SD-CG 4.36Å; M132-K137 HydrophobicContact CB-CG 3.69Å; M132-K137 WeakPolarHBondContact O-CE 3.27Å; M132-F140 HydrophobicContact CE-CB 4.41Å; M132-F140 HydrophobicContact CE-CD1 3.63Å; M132-F140 HydrophobicContact CE-CE1 4.2Å; M132-F140 HydrophobicContact CE-CG 4.17Å; M132-F140 HydrophobicContact SD-CB 3.65Å; M132-F140 HydrophobicContact SD-CD1 3.89Å; M132-F140 HydrophobicContact SD-CG 3.77Å; M132-V181 HydrophobicContact CG-CG2 3.85Å; M132-V181 HydrophobicContact SD-CG1 4.45Å; M132-V181 HydrophobicContact SD-CG2 3.91Å; M132-F184 HydrophobicContact CE-CE1 4.19Å; M132-F184 HydrophobicContact CE-CZ 3.76Å; M132-F184 HydrophobicContact CG-CE1 4.11Å; M132-F184 HydrophobicContact SD-CE1 3.95Å; M132-F184 HydrophobicContact SD-CZ 3.81Å
133	G	89.4	Confident	89.2	Confident	46 Å²	46	64.3 Å²	64.3	47%	0.474	33%	0.333	S	S	.	.			trans	-68.4	159.2	168.3	0	0	0	0	0	112.4	F135 E136 K137	G133-F135 VanDerWaalsContact C-N 3.33Å; G133-F135 PolarHBondContact O-N 3.25Å; G133-F135 VanDerWaalsContact O-N 3.17Å; G133-E136 PolarHBondContact O-N 2.85Å; G133-K137 WeakPolarHBondContact O-CG 3.14Å; G133-K137 PolarHBondContact O-N 2.91Å
134	L	87.8	Confident	89.8	Confident	110 Å²	110	61.2 Å²	61.2	58%	0.576	32%	0.319	S	S	*	.	H	α-helix	trans	-52.3	-43.8	-171.9	-176.5	65.4	0	0	0	114.4
135	F	90.2	Very high	90.3	Very high	144 Å²	144	57.9 Å²	57.9	63%	0.632	30%	0.298	S	S	*	.	H	α-helix	trans	-70.8	-36.9	179.7	-67.9	-76.7	0	0	0	112.5	G133 R138 R139	G133-F135 VanDerWaalsContact C-N 3.33Å; G133-F135 PolarHBondContact O-N 3.25Å; G133-F135 VanDerWaalsContact O-N 3.17Å; F135-R138 PolarHBondContact O-N 2.86Å; F135-R139 PolarHBondContact O-N 2.81Å
136	E	91.7	Very high	90.9	Very high	30 Å²	30	56.1 Å²	56.1	14%	0.14	29%	0.29	C	S	.	.	H	α-helix	trans	-69.2	-39	179.7	-171.8	160.8	-119	0	0	111.7	M132 G133 R138 R139 F140 G178 V181	M132-E136 HydrophobicContact CB-CB 4.26Å; M132-E136 HydrophobicContact CB-CG 4.3Å; M132-E136 HydrophobicContact CG-CG 4.15Å; M132-E136 HydrophobicContact SD-CG 4.36Å; G133-E136 PolarHBondContact O-N 2.85Å; E136-R138 VanDerWaalsContact C-N 3.26Å; E136-R138 PolarHBondContact O-N 3.26Å; E136-R139 WeakPolarHBondContact O-CB 3.39Å; E136-R139 PolarHBondContact O-N 3.2Å; E136-R139 IonicContact OE1-NH2 3.71Å; E136-F140 WeakPolarHBondContact O-CB 3.3Å; E136-F140 PolarHBondContact O-N 2.72Å; E136-G178 PolarHBondContact OE1-N 3.22Å; E136-V181 HydrophobicContact CG-CG2 3.57Å; E136-V181 WeakPolarHBondContact OE1-CG2 3.35Å
137	K	92.3	Very high	91.4	Very high	31 Å²	31	56.3 Å²	56.3	14%	0.135	29%	0.291	C	S	.	.	H	α-helix	trans	-54	-41.8	171.3	-65.9	180	-175.8	-159.4	0	113	A126 L127 S129 M132 G133 R139 F140 R141	A126-K137 WeakPolarHBondContact O-CG 3.39Å; L127-K137 WeakPolarHBondContact O-CD 3.32Å; L127-K137 PolarHBondContact O-NZ 3.26Å; S129-K137 WeakPolarHBondContact O-CE 3.41Å; S129-K137 PolarHBondContact O-NZ 2.56Å; M132-K137 HydrophobicContact CB-CG 3.69Å; M132-K137 WeakPolarHBondContact O-CE 3.27Å; G133-K137 WeakPolarHBondContact O-CG 3.14Å; G133-K137 PolarHBondContact O-N 2.91Å; K137-R139 VanDerWaalsContact C-N 3.35Å; K137-F140 PolarHBondContact O-N 3.4Å; K137-R141 WeakPolarHBondContact O-CB 3.4Å; K137-R141 PolarHBondContact O-N 3.47Å
138	R	92.4	Very high	91.9	Very high	140 Å²	140	55.6 Å²	55.6	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-66.6	-37.7	178.8	-67.3	177.7	-178.1	175	0.6	111.6	F135 E136 K142	F135-R138 PolarHBondContact O-N 2.86Å; E136-R138 VanDerWaalsContact C-N 3.26Å; E136-R138 PolarHBondContact O-N 3.26Å; R138-K142 WeakPolarHBondContact O-CG 3.41Å; R138-K142 PolarHBondContact O-N 2.93Å
139	R	95.3	Very high	92.3	Very high	86 Å²	86	56.5 Å²	56.5	33%	0.325	29%	0.291	S	S	.	.	H	α-helix	trans	-68.9	-44.9	175.3	-64.9	-168.5	-59	-92.2	0.9	111.1	F135 E136 K137 R141 K142 F143 F175 S176 L177	F135-R139 PolarHBondContact O-N 2.81Å; E136-R139 WeakPolarHBondContact O-CB 3.39Å; E136-R139 PolarHBondContact O-N 3.2Å; E136-R139 IonicContact OE1-NH2 3.71Å; K137-R139 VanDerWaalsContact C-N 3.35Å; R139-R141 PolarHBondContact O-N 3.23Å; R139-K142 WeakPolarHBondContact O-CB 3.38Å; R139-K142 PolarHBondContact O-N 3.15Å; R139-K142 VanDerWaalsContact O-N 3.14Å; R139-F143 PolarHBondContact O-N 3.43Å; R139-F175 WeakPolarHBondContact CD-O 3.31Å; R139-S176 PolarHBondContact NE-O 3.11Å; R139-L177 HydrophobicContact CB-CD2 3.82Å
140	F	95.3	Very high	92.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-41.1	177.3	-173.2	-113.9	0	0	0	112.4	P120 A126 M132 E136 K137 K142 F143 L144 L177 V181 F184 T185 L189	P120-F140 HydrophobicContact CG-CE1 4.13Å; A126-F140 HydrophobicContact CB-CD1 3.89Å; A126-F140 HydrophobicContact CB-CE1 4.3Å; M132-F140 HydrophobicContact CE-CB 4.41Å; M132-F140 HydrophobicContact CE-CD1 3.63Å; M132-F140 HydrophobicContact CE-CE1 4.2Å; M132-F140 HydrophobicContact CE-CG 4.17Å; M132-F140 HydrophobicContact SD-CB 3.65Å; M132-F140 HydrophobicContact SD-CD1 3.89Å; M132-F140 HydrophobicContact SD-CG 3.77Å; E136-F140 WeakPolarHBondContact O-CB 3.3Å; E136-F140 PolarHBondContact O-N 2.72Å; K137-F140 PolarHBondContact O-N 3.4Å; F140-K142 VanDerWaalsContact C-N 3.33Å; F140-K142 PolarHBondContact O-N 2.91Å; F140-F143 AromaticContact CD2-CD1 3.97Å; F140-F143 HydrophobicContact CD2-CD1 3.97Å; F140-F143 AromaticContact CE2-CD1 3.78Å; F140-F143 HydrophobicContact CE2-CD1 3.78Å; F140-F143 HydrophobicContact CE2-CE1 4.15Å; F140-F143 WeakPolarHBondContact O-CB 3.31Å; F140-F143 PolarHBondContact O-N 2.93Å; F140-F143 VanDerWaalsContact O-N 3.15Å; F140-L144 HydrophobicContact CD1-CD1 4.12Å; F140-L144 HydrophobicContact CD1-CG 4.35Å; F140-L144 HydrophobicContact CE1-CD1 3.64Å; F140-L144 HydrophobicContact CE1-CD2 4.23Å; F140-L144 HydrophobicContact CE1-CG 3.95Å; F140-L144 HydrophobicContact CE2-CD2 4.35Å; F140-L144 HydrophobicContact CE2-CG 4.48Å; F140-L144 HydrophobicContact CZ-CD1 4.13Å; F140-L144 HydrophobicContact CZ-CD2 3.85Å; F140-L144 HydrophobicContact CZ-CG 4Å; F140-L144 PolarHBondContact O-N 2.87Å; F140-L177 HydrophobicContact CB-CD2 4.28Å; F140-L177 HydrophobicContact CD2-CD1 4.18Å; F140-V181 HydrophobicContact CD2-CG1 3.47Å; F140-V181 VanDerWaalsContact CD2-CG1 3.47Å; F140-V181 HydrophobicContact CE2-CG1 3.93Å; F140-V181 HydrophobicContact CG-CG1 4.21Å; F140-F184 HydrophobicContact CD1-CZ 4.25Å; F140-F184 HydrophobicContact CD2-CZ 4.24Å; F140-F184 AromaticContact CE1-CE2 3.89Å; F140-F184 HydrophobicContact CE1-CE2 3.89Å; F140-F184 AromaticContact CE1-CZ 3.89Å; F140-F184 HydrophobicContact CE1-CZ 3.89Å; F140-F184 AromaticContact CE2-CE2 3.93Å; F140-F184 HydrophobicContact CE2-CE2 3.93Å; F140-F184 AromaticContact CE2-CZ 3.91Å; F140-F184 HydrophobicContact CE2-CZ 3.91Å; F140-F184 HydrophobicContact CG-CZ 4.4Å; F140-F184 AromaticContact CZ-CE2 3.47Å; F140-F184 HydrophobicContact CZ-CE2 3.47Å; F140-F184 VanDerWaalsContact CZ-CE2 3.47Å; F140-F184 AromaticContact CZ-CZ 3.73Å; F140-F184 HydrophobicContact CZ-CZ 3.73Å; F140-T185 VanDerWaalsContact CE2-OG1 3.3Å; F140-T185 WeakPolarHBondContact CE2-OG1 3.37Å; F140-L189 HydrophobicContact CZ-CD1 3.91Å
141	R	94.1	Very high	93.1	Very high	103 Å²	103	54.9 Å²	54.9	39%	0.389	27%	0.274	S	S	.	.	H	α-helix	trans	-55.5	-47.1	170.9	179.9	-174.8	171.8	-115.9	-4.7	111.7	E123 K137 R139 F143 L144 V145	E123-R141 HydrophobicContact CB-CG 4.18Å; E123-R141 HydrophobicContact CG-CG 4.08Å; E123-R141 IonicContact OE2-CZ 3.26Å; E123-R141 IonicContact OE2-NE 2.72Å; E123-R141 PolarHBondContact OE2-NE 3.17Å; E123-R141 IonicContact OE2-NH2 3.67Å; E123-R141 PolarHBondContact OE2-NH2 3.35Å; K137-R141 WeakPolarHBondContact O-CB 3.4Å; K137-R141 PolarHBondContact O-N 3.47Å; R139-R141 PolarHBondContact O-N 3.23Å; R141-F143 VanDerWaalsContact C-N 3.29Å; R141-F143 PolarHBondContact O-N 2.96Å; R141-L144 PolarHBondContact O-N 3.2Å; R141-V145 WeakPolarHBondContact O-CG2 3.48Å; R141-V145 PolarHBondContact O-N 3.36Å
142	K	94.8	Very high	93.4	Very high	140 Å²	140	59.7 Å²	59.7	61%	0.609	30%	0.296	S	S	*	.	H	α-helix	trans	-61.3	-39.3	177.8	-72.2	-179.6	178.5	-171.3	0	111.9	R138 R139 F140 V145 F146 F175	R138-K142 WeakPolarHBondContact O-CG 3.41Å; R138-K142 PolarHBondContact O-N 2.93Å; R139-K142 WeakPolarHBondContact O-CB 3.38Å; R139-K142 PolarHBondContact O-N 3.15Å; R139-K142 VanDerWaalsContact O-N 3.14Å; F140-K142 VanDerWaalsContact C-N 3.33Å; F140-K142 PolarHBondContact O-N 2.91Å; K142-V145 PolarHBondContact O-N 2.9Å; K142-F146 PolarHBondContact O-N 3.19Å; K142-F175 HydrophobicContact CB-CD1 4.21Å; K142-F175 HydrophobicContact CB-CE1 4.24Å
143	F	96.2	Very high	93.6	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-46.1	173.7	166.9	-101.9	0	0	0	112.1	R139 F140 R141 V145 F146 V147 M168 I171 F172 F175 L177 T185 I209	R139-F143 PolarHBondContact O-N 3.43Å; F140-F143 AromaticContact CD2-CD1 3.97Å; F140-F143 HydrophobicContact CD2-CD1 3.97Å; F140-F143 AromaticContact CE2-CD1 3.78Å; F140-F143 HydrophobicContact CE2-CD1 3.78Å; F140-F143 HydrophobicContact CE2-CE1 4.15Å; F140-F143 WeakPolarHBondContact O-CB 3.31Å; F140-F143 PolarHBondContact O-N 2.93Å; F140-F143 VanDerWaalsContact O-N 3.15Å; R141-F143 VanDerWaalsContact C-N 3.29Å; R141-F143 PolarHBondContact O-N 2.96Å; F143-V145 VanDerWaalsContact C-N 3.33Å; F143-V145 PolarHBondContact O-N 2.61Å; F143-F146 WeakPolarHBondContact O-CB 3.32Å; F143-F146 PolarHBondContact O-N 3.26Å; F143-V147 HydrophobicContact CD2-CG2 4.2Å; F143-V147 HydrophobicContact CE1-CG2 4.04Å; F143-V147 HydrophobicContact CE2-CG2 3.66Å; F143-V147 HydrophobicContact CZ-CG2 3.58Å; F143-V147 WeakPolarHBondContact O-CG2 3.35Å; F143-V147 PolarHBondContact O-N 2.76Å; F143-M168 HydrophobicContact CE2-CE 3.62Å; F143-M168 HydrophobicContact CZ-CE 3.62Å; F143-I171 HydrophobicContact CD2-CG2 4.27Å; F143-I171 HydrophobicContact CE2-CG2 3.91Å; F143-F172 HydrophobicContact CE1-CE1 4.41Å; F143-F172 HydrophobicContact CE2-CD1 4.35Å; F143-F172 HydrophobicContact CE2-CE1 4.14Å; F143-F172 HydrophobicContact CZ-CD1 4.5Å; F143-F172 AromaticContact CZ-CE1 3.86Å; F143-F172 HydrophobicContact CZ-CE1 3.86Å; F143-F175 HydrophobicContact CB-CB 4.24Å; F143-F175 HydrophobicContact CB-CD1 4.03Å; F143-F175 HydrophobicContact CB-CD2 4.19Å; F143-F175 HydrophobicContact CB-CG 3.88Å; F143-F175 AromaticContact CD2-CD2 3.76Å; F143-F175 HydrophobicContact CD2-CD2 3.76Å; F143-F175 HydrophobicContact CD2-CE2 4.08Å; F143-F175 HydrophobicContact CD2-CG 4.29Å; F143-F175 HydrophobicContact CG-CD2 4.47Å; F143-L177 HydrophobicContact CB-CD1 3.93Å; F143-L177 HydrophobicContact CD1-CD1 4.11Å; F143-L177 HydrophobicContact CD2-CD1 4.27Å; F143-L177 HydrophobicContact CG-CD1 3.83Å; F143-T185 HydrophobicContact CE1-CG2 3.79Å; F143-T185 HydrophobicContact CZ-CG2 4.15Å; F143-I209 HydrophobicContact CE1-CD1 4.09Å; F143-I209 HydrophobicContact CZ-CD1 3.7Å
144	L	94	Very high	93.8	Very high	13 Å²	13	66 Å²	66	7%	0.068	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-40.1	176.6	-68.8	-177.8	0	0	0	112.3	A126 F140 R141 F146 V147 A148 L189	A126-L144 HydrophobicContact CB-CD1 4.14Å; F140-L144 HydrophobicContact CD1-CD1 4.12Å; F140-L144 HydrophobicContact CD1-CG 4.35Å; F140-L144 HydrophobicContact CE1-CD1 3.64Å; F140-L144 HydrophobicContact CE1-CD2 4.23Å; F140-L144 HydrophobicContact CE1-CG 3.95Å; F140-L144 HydrophobicContact CE2-CD2 4.35Å; F140-L144 HydrophobicContact CE2-CG 4.48Å; F140-L144 HydrophobicContact CZ-CD1 4.13Å; F140-L144 HydrophobicContact CZ-CD2 3.85Å; F140-L144 HydrophobicContact CZ-CG 4Å; F140-L144 PolarHBondContact O-N 2.87Å; R141-L144 PolarHBondContact O-N 3.2Å; L144-F146 VanDerWaalsContact C-N 3.34Å; L144-V147 PolarHBondContact O-N 3.34Å; L144-A148 WeakPolarHBondContact O-CB 3.08Å; L144-A148 PolarHBondContact O-N 2.97Å; L144-L189 HydrophobicContact CD2-CD1 4.46Å
145	V	94.2	Very high	94.1	Very high	43 Å²	43	65.5 Å²	65.5	26%	0.261	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-41.2	174.8	172.2	0	0	0	0	111.2	E123 R141 K142 F143 N149	E123-V145 HydrophobicContact CG-CG2 4.08Å; E123-V145 WeakPolarHBondContact OE1-CG2 3.2Å; R141-V145 WeakPolarHBondContact O-CG2 3.48Å; R141-V145 PolarHBondContact O-N 3.36Å; K142-V145 PolarHBondContact O-N 2.9Å; F143-V145 VanDerWaalsContact C-N 3.33Å; F143-V145 PolarHBondContact O-N 2.61Å; V145-N149 WeakPolarHBondContact CG1-ND2 3.31Å; V145-N149 WeakPolarHBondContact O-CB 3.37Å; V145-N149 PolarHBondContact O-N 3.09Å; V145-N149 VanDerWaalsContact O-N 3.13Å; V145-N149 PolarHBondContact O-ND2 3.18Å
146	F	96.1	Very high	94.3	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-49.8	173.9	166	-98.4	0	0	0	111.3	K142 F143 L144 A148 N149 F150 E159 V161 I171 F175 I206	K142-F146 PolarHBondContact O-N 3.19Å; F143-F146 WeakPolarHBondContact O-CB 3.32Å; F143-F146 PolarHBondContact O-N 3.26Å; L144-F146 VanDerWaalsContact C-N 3.34Å; F146-A148 PolarHBondContact O-N 2.87Å; F146-N149 PolarHBondContact O-N 3.44Å; F146-F150 HydrophobicContact CE1-CD2 4.01Å; F146-F150 AromaticContact CE2-CD2 3.8Å; F146-F150 HydrophobicContact CE2-CD2 3.8Å; F146-F150 HydrophobicContact CE2-CE2 4.24Å; F146-F150 AromaticContact CZ-CD2 3.42Å; F146-F150 HydrophobicContact CZ-CD2 3.42Å; F146-F150 VanDerWaalsContact CZ-CD2 3.42Å; F146-F150 AromaticContact CZ-CE2 3.71Å; F146-F150 HydrophobicContact CZ-CE2 3.71Å; F146-F150 WeakPolarHBondContact O-CB 3.46Å; F146-F150 PolarHBondContact O-N 3.3Å; F146-E159 HydrophobicContact CD2-CG 4.26Å; F146-E159 HydrophobicContact CE2-CB 4.22Å; F146-E159 HydrophobicContact CE2-CG 4.39Å; F146-V161 HydrophobicContact CE2-CG2 4.44Å; F146-V161 HydrophobicContact CZ-CG2 4.02Å; F146-I171 HydrophobicContact CE1-CG2 4.09Å; F146-F175 HydrophobicContact CB-CE1 4.08Å; F146-F175 HydrophobicContact CB-CE2 4.14Å; F146-F175 HydrophobicContact CB-CZ 3.41Å; F146-F175 VanDerWaalsContact CB-CZ 3.41Å; F146-F175 AromaticContact CD1-CE2 3.69Å; F146-F175 HydrophobicContact CD1-CE2 3.69Å; F146-F175 AromaticContact CD1-CZ 3.83Å; F146-F175 HydrophobicContact CD1-CZ 3.83Å; F146-F175 HydrophobicContact CD2-CE2 4.47Å; F146-F175 HydrophobicContact CD2-CZ 4Å; F146-F175 HydrophobicContact CE1-CE2 4.21Å; F146-F175 AromaticContact CG-CE2 3.84Å; F146-F175 HydrophobicContact CG-CE2 3.84Å; F146-F175 AromaticContact CG-CZ 3.47Å; F146-F175 HydrophobicContact CG-CZ 3.47Å; F146-F175 VanDerWaalsContact CG-CZ 3.47Å; F146-I206 HydrophobicContact CE1-CD1 4.2Å
147	V	95.5	Very high	94.5	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.018	33%	0.333	C	S	.	.	H	α-helix	trans	-59.9	-46.2	179	170	0	0	0	0	111.4	F143 L144 N149 F150 I206 I209 K210	F143-V147 HydrophobicContact CD2-CG2 4.2Å; F143-V147 HydrophobicContact CE1-CG2 4.04Å; F143-V147 HydrophobicContact CE2-CG2 3.66Å; F143-V147 HydrophobicContact CZ-CG2 3.58Å; F143-V147 WeakPolarHBondContact O-CG2 3.35Å; F143-V147 PolarHBondContact O-N 2.76Å; L144-V147 PolarHBondContact O-N 3.34Å; V147-N149 VanDerWaalsContact C-N 3.31Å; V147-N149 PolarHBondContact O-N 3.32Å; V147-F150 PolarHBondContact O-N 3.31Å; V147-I206 HydrophobicContact CG1-CG2 4.27Å; V147-I209 HydrophobicContact CG1-CB 3.97Å; V147-I209 HydrophobicContact CG1-CG2 3.75Å; V147-K210 HydrophobicContact CG1-CG 3.82Å; V147-K210 WeakPolarHBondContact O-CE 3.22Å
148	A	92.9	Very high	94.6	Very high	70 Å²	70	67 Å²	67	58%	0.579	33%	0.332	S	S	*	.	H	α-helix	trans	-61.4	-39.5	-179.2	0	0	0	0	0	112.4	L144 F146	L144-A148 WeakPolarHBondContact O-CB 3.08Å; L144-A148 PolarHBondContact O-N 2.97Å; F146-A148 PolarHBondContact O-N 2.87Å
149	N	95.4	Very high	94.6	Very high	102 Å²	102	65.7 Å²	65.7	55%	0.545	33%	0.332	S	S	.	.	H	α-helix	trans	-85.7	-12.5	-178.3	-68.5	-48.3	0	0	0	114.3	V145 F146 V147 D151 T157	V145-N149 WeakPolarHBondContact CG1-ND2 3.31Å; V145-N149 WeakPolarHBondContact O-CB 3.37Å; V145-N149 PolarHBondContact O-N 3.09Å; V145-N149 VanDerWaalsContact O-N 3.13Å; V145-N149 PolarHBondContact O-ND2 3.18Å; F146-N149 PolarHBondContact O-N 3.44Å; V147-N149 VanDerWaalsContact C-N 3.31Å; V147-N149 PolarHBondContact O-N 3.32Å; N149-D151 PolarHBondContact O-N 3.29Å; N149-T157 WeakPolarHBondContact O-CB 3.24Å; N149-T157 WeakPolarHBondContact O-CG2 3.12Å
150	F	96.3	Very high	94.5	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.009	36%	0.357	C	S	.	.			trans	-62.5	116	-172.8	-169	-83.9	0	0	0	112.1	F146 V147 M158 V161 P163 M203 I206 K210	F146-F150 HydrophobicContact CE1-CD2 4.01Å; F146-F150 AromaticContact CE2-CD2 3.8Å; F146-F150 HydrophobicContact CE2-CD2 3.8Å; F146-F150 HydrophobicContact CE2-CE2 4.24Å; F146-F150 AromaticContact CZ-CD2 3.42Å; F146-F150 HydrophobicContact CZ-CD2 3.42Å; F146-F150 VanDerWaalsContact CZ-CD2 3.42Å; F146-F150 AromaticContact CZ-CE2 3.71Å; F146-F150 HydrophobicContact CZ-CE2 3.71Å; F146-F150 WeakPolarHBondContact O-CB 3.46Å; F146-F150 PolarHBondContact O-N 3.3Å; V147-F150 PolarHBondContact O-N 3.31Å; F150-M158 HydrophobicContact CD2-CG 4.5Å; F150-M158 HydrophobicContact CE1-CG 4.39Å; F150-M158 HydrophobicContact CE2-CB 3.96Å; F150-M158 HydrophobicContact CE2-CG 3.92Å; F150-M158 HydrophobicContact CZ-CB 4.28Å; F150-M158 HydrophobicContact CZ-CE 4.35Å; F150-M158 HydrophobicContact CZ-CG 3.85Å; F150-V161 HydrophobicContact CE2-CB 4.37Å; F150-V161 HydrophobicContact CE2-CG1 4.27Å; F150-P163 HydrophobicContact CE1-CB 4.16Å; F150-P163 HydrophobicContact CZ-CB 3.86Å; F150-P163 HydrophobicContact CZ-CG 4.19Å; F150-M203 HydrophobicContact CD1-SD 4.4Å; F150-M203 HydrophobicContact CE1-CE 4.47Å; F150-M203 HydrophobicContact CE1-SD 3.73Å; F150-I206 HydrophobicContact CB-CG2 4.05Å; F150-I206 HydrophobicContact CD1-CD1 4.29Å; F150-I206 HydrophobicContact CD1-CG2 3.97Å; F150-I206 HydrophobicContact CD2-CD1 4.01Å; F150-I206 HydrophobicContact CE1-CD1 4.29Å; F150-I206 HydrophobicContact CE2-CD1 3.99Å; F150-I206 HydrophobicContact CG-CD1 4.16Å; F150-I206 HydrophobicContact CG-CG2 4.04Å; F150-I206 HydrophobicContact CZ-CD1 4.14Å; F150-K210 WeakPolarHBondContact O-CE 3.43Å; F150-K210 PolarHBondContact O-NZ 3.26Å
151	D	94.8	Very high	94.5	Very high	68 Å²	68	66.1 Å²	66.1	36%	0.364	36%	0.36	S	S	.	.			trans	-123.5	121.9	174.8	-174.8	-7.5	0	0	0	109.4	N149 N153 D154 T157 M158	N149-D151 PolarHBondContact O-N 3.29Å; D151-N153 PolarHBondContact O-N 2.98Å; D151-N153 VanDerWaalsContact O-N 3.16Å; D151-N153 WeakPolarHBondContact OD1-CB 3.35Å; D151-N153 PolarHBondContact OD1-N 3.13Å; D151-N153 PolarHBondContact OD1-ND2 3.47Å; D151-D154 HydrophobicContact CB-CB 4.19Å; D151-D154 CarbonylContact O-C 3.57Å; D151-D154 PolarHBondContact O-N 3.17Å; D151-D154 VanDerWaalsContact O-N 3.08Å; D151-T157 HydrophobicContact CB-CG2 4.41Å; D151-T157 PolarHBondContact N-OG1 3.26Å; D151-T157 PolarHBondContact O-OG1 3.36Å; D151-M158 WeakPolarHBondContact O-CG 3.06Å
152	E	92.5	Very high	94.6	Very high	107 Å²	107	64 Å²	64	50%	0.5	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.4	178.1	62.8	174.5	-165.2	0	0	113.4	M203	E152-M203 HydrophobicContact CB-CE 3.94Å; E152-M203 HydrophobicContact CG-CE 4.12Å; E152-M203 WeakPolarHBondContact OE2-CE 3.2Å
153	N	93.8	Very high	94.6	Very high	130 Å²	130	58 Å²	58	70%	0.695	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-8.4	177.7	-55.3	-68.3	0	0	0	112.9	D151	D151-N153 PolarHBondContact O-N 2.98Å; D151-N153 VanDerWaalsContact O-N 3.16Å; D151-N153 WeakPolarHBondContact OD1-CB 3.35Å; D151-N153 PolarHBondContact OD1-N 3.13Å; D151-N153 PolarHBondContact OD1-ND2 3.47Å
154	D	94.8	Very high	94.5	Very high	60 Å²	60	66 Å²	66	32%	0.321	37%	0.367	S	S	.	.			trans	-122.6	98.1	175.1	-174.9	-2.6	0	0	0	111.7	D151 K156 T157	D151-D154 HydrophobicContact CB-CB 4.19Å; D151-D154 CarbonylContact O-C 3.57Å; D151-D154 PolarHBondContact O-N 3.17Å; D151-D154 VanDerWaalsContact O-N 3.08Å; D154-K156 PolarHBondContact O-N 3.4Å; D154-K156 WeakPolarHBondContact OD1-CB 3.36Å; D154-K156 PolarHBondContact OD1-N 2.56Å; D154-T157 HydrophobicContact CB-CG2 3.97Å; D154-T157 PolarHBondContact O-N 3.32Å; D154-T157 PolarHBondContact O-OG1 2.83Å
155	P	93.3	Very high	94.6	Very high	99 Å²	99	72.8 Å²	72.8	64%	0.643	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-23.6	178.1	-28.4	35.9	0	0	0	115.6	M158	P155-M158 PolarHBondContact O-N 2.89Å
156	K	94.6	Very high	94.7	Very high	181 Å²	181	72.5 Å²	72.5	79%	0.787	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-38.3	178.6	-66.7	178	-179.7	172.9	0	111.7	D154 M158 E159	D154-K156 PolarHBondContact O-N 3.4Å; D154-K156 WeakPolarHBondContact OD1-CB 3.36Å; D154-K156 PolarHBondContact OD1-N 2.56Å; K156-M158 PolarHBondContact O-N 2.93Å; K156-E159 PolarHBondContact O-N 3.47Å
157	T	95.3	Very high	94.9	Very high	32 Å²	32	74.3 Å²	74.3	20%	0.196	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.8	-179.2	69.2	0	0	0	0	112.6	N149 D151 D154 E159	N149-T157 WeakPolarHBondContact O-CB 3.24Å; N149-T157 WeakPolarHBondContact O-CG2 3.12Å; D151-T157 HydrophobicContact CB-CG2 4.41Å; D151-T157 PolarHBondContact N-OG1 3.26Å; D151-T157 PolarHBondContact O-OG1 3.36Å; D154-T157 HydrophobicContact CB-CG2 3.97Å; D154-T157 PolarHBondContact O-N 3.32Å; D154-T157 PolarHBondContact O-OG1 2.83Å; T157-E159 VanDerWaalsContact C-N 3.27Å; T157-E159 PolarHBondContact O-N 2.88Å
158	M	94.8	Very high	95	Very high	24 Å²	24	74.1 Å²	74.1	12%	0.118	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-13.7	-176.5	-58.1	168.6	56.7	0	0	112.3	F150 D151 P155 K156 G160 V161 P163	F150-M158 HydrophobicContact CD2-CG 4.5Å; F150-M158 HydrophobicContact CE1-CG 4.39Å; F150-M158 HydrophobicContact CE2-CB 3.96Å; F150-M158 HydrophobicContact CE2-CG 3.92Å; F150-M158 HydrophobicContact CZ-CB 4.28Å; F150-M158 HydrophobicContact CZ-CE 4.35Å; F150-M158 HydrophobicContact CZ-CG 3.85Å; D151-M158 WeakPolarHBondContact O-CG 3.06Å; P155-M158 PolarHBondContact O-N 2.89Å; K156-M158 PolarHBondContact O-N 2.93Å; M158-G160 PolarHBondContact O-N 3.01Å; M158-G160 VanDerWaalsContact O-N 3.14Å; M158-V161 WeakPolarHBondContact CE-O 3.37Å; M158-V161 WeakPolarHBondContact O-CB 3.38Å; M158-V161 WeakPolarHBondContact O-CG2 3.11Å; M158-V161 PolarHBondContact O-N 2.8Å; M158-P163 HydrophobicContact CE-CG 3.59Å
159	E	93.8	Very high	95.3	Very high	112 Å²	112	74.9 Å²	74.9	52%	0.523	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	46.3	176.6	-63.6	-175.5	-176.2	0	0	113.3	F146 K156 T157 V161 K174	F146-E159 HydrophobicContact CD2-CG 4.26Å; F146-E159 HydrophobicContact CE2-CB 4.22Å; F146-E159 HydrophobicContact CE2-CG 4.39Å; K156-E159 PolarHBondContact O-N 3.47Å; T157-E159 VanDerWaalsContact C-N 3.27Å; T157-E159 PolarHBondContact O-N 2.88Å; E159-V161 VanDerWaalsContact C-N 3.34Å; E159-V161 PolarHBondContact O-N 2.8Å; E159-K174 PolarHBondContact O-NZ 3.21Å; E159-K174 VanDerWaalsContact O-NZ 3.09Å; E159-K174 WeakPolarHBondContact OE2-CE 3.33Å; E159-K174 IonicContact OE2-NZ 3.6Å; E159-K174 PolarHBondContact OE2-NZ 2.57Å
160	G	92.2	Very high	95.4	Very high	83 Å²	83	71.7 Å²	71.7	86%	0.856	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	7.9	178.3	0	0	0	0	0	116	M158	M158-G160 PolarHBondContact O-N 3.01Å; M158-G160 VanDerWaalsContact O-N 3.14Å
161	V	95.7	Very high	95.5	Very high	12 Å²	12	71.7 Å²	71.7	7%	0.073	38%	0.381	C	S	.	.			trans	-83.2	136	175.7	172.1	0	0	0	0	110.8	F146 F150 M158 E159 P163 T166 I171 K174	F146-V161 HydrophobicContact CE2-CG2 4.44Å; F146-V161 HydrophobicContact CZ-CG2 4.02Å; F150-V161 HydrophobicContact CE2-CB 4.37Å; F150-V161 HydrophobicContact CE2-CG1 4.27Å; M158-V161 WeakPolarHBondContact CE-O 3.37Å; M158-V161 WeakPolarHBondContact O-CB 3.38Å; M158-V161 WeakPolarHBondContact O-CG2 3.11Å; M158-V161 PolarHBondContact O-N 2.8Å; E159-V161 VanDerWaalsContact C-N 3.34Å; E159-V161 PolarHBondContact O-N 2.8Å; V161-P163 WeakPolarHBondContact O-CD 3.34Å; V161-T166 HydrophobicContact CG1-CG2 4.1Å; V161-I171 HydrophobicContact CB-CD1 4.23Å; V161-I171 HydrophobicContact CG1-CD1 3.64Å; V161-I171 HydrophobicContact CG2-CD1 3.48Å; V161-I171 VanDerWaalsContact CG2-CD1 3.48Å; V161-K174 HydrophobicContact CG2-CD 4.49Å
162	D	95.9	Very high	95.6	Very high	60 Å²	60	68.5 Å²	68.5	32%	0.321	36%	0.364	S	S	.	.			trans	-97	105.5	166.9	-178.4	-17.4	0	0	0	108.8	K164 K165 T166	D162-K164 PolarHBondContact O-N 3.19Å; D162-K164 PolarHBondContact OD1-N 3.14Å; D162-K164 VanDerWaalsContact OD1-N 3.14Å; D162-K165 HydrophobicContact CB-CB 4.26Å; D162-K165 PolarHBondContact O-N 3.49Å; D162-K165 WeakPolarHBondContact OD2-CD 3.32Å; D162-K165 WeakPolarHBondContact OD2-CE 3.46Å; D162-K165 WeakPolarHBondContact OD2-CG 3.44Å; D162-K165 IonicContact OD2-NZ 3.39Å; D162-T166 PolarHBondContact N-OG1 2.61Å; D162-T166 VanDerWaalsContact N-OG1 3.14Å; D162-T166 VanDerWaalsContact O-CB 3.29Å; D162-T166 WeakPolarHBondContact O-CB 3.33Å; D162-T166 PolarHBondContact O-N 2.95Å; D162-T166 PolarHBondContact O-OG1 3.16Å
163	P	94.1	Very high	95.9	Very high	12 Å²	12	69.6 Å²	69.6	8%	0.078	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21	-170	19.5	-29.3	0	0	0	113	F150 M158 V161 P201 M203	F150-P163 HydrophobicContact CE1-CB 4.16Å; F150-P163 HydrophobicContact CZ-CB 3.86Å; F150-P163 HydrophobicContact CZ-CG 4.19Å; M158-P163 HydrophobicContact CE-CG 3.59Å; V161-P163 WeakPolarHBondContact O-CD 3.34Å; P163-P201 WeakPolarHBondContact O-CB 3.34Å; P163-M203 HydrophobicContact CB-CB 4.04Å; P163-M203 HydrophobicContact CB-CG 4.32Å; P163-M203 HydrophobicContact CB-SD 3.73Å; P163-M203 PolarHBondContact O-N 3.31Å
164	K	94.3	Very high	96	Very high	168 Å²	168	67.6 Å²	67.6	73%	0.73	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-9.9	-179.2	-63.8	-177.3	179.4	178.2	0	112.8	D162 P201	D162-K164 PolarHBondContact O-N 3.19Å; D162-K164 PolarHBondContact OD1-N 3.14Å; D162-K164 VanDerWaalsContact OD1-N 3.14Å; K164-P201 WeakPolarHBondContact O-CG 3.5Å
165	K	95.8	Very high	96.1	Very high	156 Å²	156	65.9 Å²	65.9	68%	0.678	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	-39.1	-175.3	-61.4	-174.5	-166.8	158.7	0	114.2	D162 T167	D162-K165 HydrophobicContact CB-CB 4.26Å; D162-K165 PolarHBondContact O-N 3.49Å; D162-K165 WeakPolarHBondContact OD2-CD 3.32Å; D162-K165 WeakPolarHBondContact OD2-CE 3.46Å; D162-K165 WeakPolarHBondContact OD2-CG 3.44Å; D162-K165 IonicContact OD2-NZ 3.39Å; K165-T167 PolarHBondContact O-N 3Å
166	T	98	Very high	96.3	Very high	37 Å²	37	65 Å²	65	23%	0.227	34%	0.339	C	S	.	.	S	Bend	trans	-66	124.2	179.6	-56.5	0	0	0	0	109.1	V161 D162 A170 I171 P201 C202	V161-T166 HydrophobicContact CG1-CG2 4.1Å; D162-T166 PolarHBondContact N-OG1 2.61Å; D162-T166 VanDerWaalsContact N-OG1 3.14Å; D162-T166 VanDerWaalsContact O-CB 3.29Å; D162-T166 WeakPolarHBondContact O-CB 3.33Å; D162-T166 PolarHBondContact O-N 2.95Å; D162-T166 PolarHBondContact O-OG1 3.16Å; T166-A170 HydrophobicContact CG2-CB 3.86Å; T166-I171 HydrophobicContact CG2-CD1 3.7Å; T166-I171 HydrophobicContact CG2-CG1 4.21Å; T166-P201 WeakPolarHBondContact O-CA 3.17Å; T166-C202 WeakPolarHBondContact O-CB 3.34Å; T166-C202 PolarHBondContact O-N 3.13Å
167	T	98.5	Very high	96.4	Very high	42 Å²	42	57 Å²	57	26%	0.258	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-75.6	156.4	-179.9	65.8	0	0	0	0	111.4	K165 R169 A170 I171 L198 Q200	K165-T167 PolarHBondContact O-N 3Å; T167-R169 PolarHBondContact O-N 3.16Å; T167-A170 WeakPolarHBondContact O-CB 2.86Å; T167-A170 PolarHBondContact O-N 3.3Å; T167-A170 VanDerWaalsContact O-N 3.1Å; T167-A170 PolarHBondContact OG1-N 2.85Å; T167-I171 PolarHBondContact O-N 2.74Å; T167-L198 WeakPolarHBondContact CB-O 3.47Å; T167-Q200 VanDerWaalsContact CA-O 3.24Å; T167-Q200 WeakPolarHBondContact CA-O 3.46Å
168	M	98.5	Very high	96.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-33.1	176.5	-166	64.6	-162.3	0	0	112.4	F143 A170 I171 F172 Y197 L198 Q200 C202 T205 I209	F143-M168 HydrophobicContact CE2-CE 3.62Å; F143-M168 HydrophobicContact CZ-CE 3.62Å; M168-A170 VanDerWaalsContact C-N 3.3Å; M168-A170 PolarHBondContact O-N 2.85Å; M168-I171 HydrophobicContact CE-CB 4.27Å; M168-I171 HydrophobicContact CE-CG2 4.06Å; M168-I171 WeakPolarHBondContact O-CB 3.47Å; M168-I171 PolarHBondContact O-N 2.83Å; M168-I171 VanDerWaalsContact O-N 3.11Å; M168-I171 HydrophobicContact SD-CB 4.16Å; M168-I171 HydrophobicContact SD-CG1 4.35Å; M168-I171 HydrophobicContact SD-CG2 4.45Å; M168-F172 HydrophobicContact CE-CD1 3.93Å; M168-F172 HydrophobicContact CE-CE1 3.39Å; M168-F172 HydrophobicContact CE-CE2 4.06Å; M168-F172 HydrophobicContact CE-CG 4.49Å; M168-F172 HydrophobicContact CE-CZ 3.47Å; M168-F172 VanDerWaalsContact CE-CZ 3.47Å; M168-F172 HydrophobicContact CG-CD2 4.06Å; M168-F172 HydrophobicContact CG-CE2 3.59Å; M168-F172 HydrophobicContact CG-CZ 3.92Å; M168-F172 WeakPolarHBondContact O-CD2 3.22Å; M168-F172 PolarHBondContact O-N 3.03Å; M168-Y197 HydrophobicContact CB-CD2 4.16Å; M168-Y197 HydrophobicContact CB-CE2 4.4Å; M168-Y197 HydrophobicContact CG-CD2 4.06Å; M168-Y197 HydrophobicContact CG-CE2 3.94Å; M168-L198 PolarHBondContact N-O 2.83Å; M168-Q200 PolarHBondContact N-O 2.95Å; M168-Q200 VanDerWaalsContact N-O 3.15Å; M168-C202 HydrophobicContact SD-CB 3.9Å; M168-T205 HydrophobicContact CE-CG2 3.85Å; M168-T205 HydrophobicContact CG-CG2 3.73Å; M168-T205 HydrophobicContact SD-CG2 3.55Å; M168-T205 VanDerWaalsContact SD-CG2 3.55Å; M168-I209 HydrophobicContact CE-CD1 4.38Å
169	R	98.3	Very high	96.1	Very high	85 Å²	85	60.1 Å²	60.1	32%	0.321	33%	0.325	S	S	.	.	H	α-helix	trans	-56.2	-44.2	172.3	-172.4	-175.6	-55.7	-75.2	1.6	111.8	T167 I171 F172 Q173 L198 D199	T167-R169 PolarHBondContact O-N 3.16Å; R169-I171 VanDerWaalsContact C-N 3.32Å; R169-I171 PolarHBondContact O-N 3.16Å; R169-F172 PolarHBondContact O-N 3.08Å; R169-Q173 WeakPolarHBondContact O-CG 3.29Å; R169-Q173 PolarHBondContact O-N 2.88Å; R169-L198 HydrophobicContact CB-CB 4.35Å; R169-L198 VanDerWaalsContact CB-O 3.23Å; R169-L198 WeakPolarHBondContact CB-O 3.48Å; R169-L198 PolarHBondContact N-O 2.84Å; R169-D199 IonicContact CZ-OD1 3.89Å; R169-D199 IonicContact CZ-OD2 3.22Å; R169-D199 IonicContact NE-OD1 3.53Å; R169-D199 PolarHBondContact NE-OD1 3.06Å; R169-D199 IonicContact NE-OD2 3.75Å; R169-D199 IonicContact NH2-OD1 2.79Å; R169-D199 PolarHBondContact NH2-OD1 3.49Å; R169-D199 IonicContact NH2-OD2 2.68Å; R169-D199 PolarHBondContact NH2-OD2 2.82Å
170	A	98.1	Very high	95.9	Very high	36 Å²	36	59.2 Å²	59.2	30%	0.298	32%	0.321	S	S	.	.	H	α-helix	trans	-65.2	-36	177.4	0	0	0	0	0	111.8	T166 T167 M168 Q173 K174	T166-A170 HydrophobicContact CG2-CB 3.86Å; T167-A170 WeakPolarHBondContact O-CB 2.86Å; T167-A170 PolarHBondContact O-N 3.3Å; T167-A170 VanDerWaalsContact O-N 3.1Å; T167-A170 PolarHBondContact OG1-N 2.85Å; M168-A170 VanDerWaalsContact C-N 3.3Å; M168-A170 PolarHBondContact O-N 2.85Å; A170-Q173 PolarHBondContact O-N 3.36Å; A170-K174 WeakPolarHBondContact O-CB 3.41Å; A170-K174 PolarHBondContact O-N 3.26Å
171	I	98.2	Very high	95.9	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-48.4	172.6	-57.9	-57.7	0	0	0	110.8	F143 F146 V161 T166 T167 M168 R169 Q173 K174 F175 C202	F143-I171 HydrophobicContact CD2-CG2 4.27Å; F143-I171 HydrophobicContact CE2-CG2 3.91Å; F146-I171 HydrophobicContact CE1-CG2 4.09Å; V161-I171 HydrophobicContact CB-CD1 4.23Å; V161-I171 HydrophobicContact CG1-CD1 3.64Å; V161-I171 HydrophobicContact CG2-CD1 3.48Å; V161-I171 VanDerWaalsContact CG2-CD1 3.48Å; T166-I171 HydrophobicContact CG2-CD1 3.7Å; T166-I171 HydrophobicContact CG2-CG1 4.21Å; T167-I171 PolarHBondContact O-N 2.74Å; M168-I171 HydrophobicContact CE-CB 4.27Å; M168-I171 HydrophobicContact CE-CG2 4.06Å; M168-I171 WeakPolarHBondContact O-CB 3.47Å; M168-I171 PolarHBondContact O-N 2.83Å; M168-I171 VanDerWaalsContact O-N 3.11Å; M168-I171 HydrophobicContact SD-CB 4.16Å; M168-I171 HydrophobicContact SD-CG1 4.35Å; M168-I171 HydrophobicContact SD-CG2 4.45Å; R169-I171 VanDerWaalsContact C-N 3.32Å; R169-I171 PolarHBondContact O-N 3.16Å; I171-Q173 VanDerWaalsContact C-N 3.29Å; I171-Q173 PolarHBondContact O-N 2.97Å; I171-K174 WeakPolarHBondContact O-CB 3.47Å; I171-K174 PolarHBondContact O-N 2.97Å; I171-K174 VanDerWaalsContact O-N 3.13Å; I171-F175 HydrophobicContact CG2-CD2 4.13Å; I171-F175 HydrophobicContact CG2-CE2 4.1Å; I171-F175 VanDerWaalsContact O-CD2 3.31Å; I171-F175 WeakPolarHBondContact O-CD2 3.44Å; I171-F175 PolarHBondContact O-N 3.44Å; I171-C202 HydrophobicContact CD1-CB 4.45Å; I171-C202 HydrophobicContact CG1-CB 3.64Å
172	F	98.1	Very high	95.8	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-37.9	177.7	-67.5	-43.8	0	0	0	112.8	F143 M168 R169 F175 S176 L177 I182 T185 Y197 L198	F143-F172 HydrophobicContact CE1-CE1 4.41Å; F143-F172 HydrophobicContact CE2-CD1 4.35Å; F143-F172 HydrophobicContact CE2-CE1 4.14Å; F143-F172 HydrophobicContact CZ-CD1 4.5Å; F143-F172 AromaticContact CZ-CE1 3.86Å; F143-F172 HydrophobicContact CZ-CE1 3.86Å; M168-F172 HydrophobicContact CE-CD1 3.93Å; M168-F172 HydrophobicContact CE-CE1 3.39Å; M168-F172 HydrophobicContact CE-CE2 4.06Å; M168-F172 HydrophobicContact CE-CG 4.49Å; M168-F172 HydrophobicContact CE-CZ 3.47Å; M168-F172 VanDerWaalsContact CE-CZ 3.47Å; M168-F172 HydrophobicContact CG-CD2 4.06Å; M168-F172 HydrophobicContact CG-CE2 3.59Å; M168-F172 HydrophobicContact CG-CZ 3.92Å; M168-F172 WeakPolarHBondContact O-CD2 3.22Å; M168-F172 PolarHBondContact O-N 3.03Å; R169-F172 PolarHBondContact O-N 3.08Å; F172-F175 CarbonylContact O-C 3.54Å; F172-F175 PolarHBondContact O-N 3.33Å; F172-S176 PolarHBondContact O-N 3.27Å; F172-L177 HydrophobicContact CD1-CD1 3.92Å; F172-L177 HydrophobicContact CE1-CD1 4.44Å; F172-L177 PolarHBondContact O-N 3.16Å; F172-I182 HydrophobicContact CB-CD1 3.84Å; F172-I182 HydrophobicContact CB-CG1 3.94Å; F172-I182 HydrophobicContact CD1-CG1 4.27Å; F172-I182 HydrophobicContact CD2-CB 4.33Å; F172-I182 HydrophobicContact CD2-CD1 4.04Å; F172-I182 HydrophobicContact CD2-CG1 3.72Å; F172-I182 HydrophobicContact CD2-CG2 3.88Å; F172-I182 HydrophobicContact CE2-CB 4.36Å; F172-I182 HydrophobicContact CE2-CG1 4.19Å; F172-I182 HydrophobicContact CE2-CG2 3.74Å; F172-I182 HydrophobicContact CG-CD1 4.12Å; F172-I182 HydrophobicContact CG-CG1 3.75Å; F172-I182 HydrophobicContact CZ-CG2 4.48Å; F172-T185 HydrophobicContact CE1-CG2 3.89Å; F172-T185 HydrophobicContact CZ-CG2 3.96Å; F172-Y197 AromaticContact CE2-CE2 3.84Å; F172-Y197 HydrophobicContact CE2-CE2 3.84Å; F172-Y197 HydrophobicContact CZ-CE2 4.26Å; F172-L198 HydrophobicContact CD2-CD2 3.77Å; F172-L198 HydrophobicContact CE2-CD2 3.63Å
173	Q	97.4	Very high	95.6	Very high	130 Å²	130	53 Å²	53	61%	0.607	27%	0.267	S	S	*	.	H	α-helix	trans	-64.5	-42.2	173.2	-72.6	173	-3.3	0	0	112.4	R169 A170 I171 F175 S176	R169-Q173 WeakPolarHBondContact O-CG 3.29Å; R169-Q173 PolarHBondContact O-N 2.88Å; A170-Q173 PolarHBondContact O-N 3.36Å; I171-Q173 VanDerWaalsContact C-N 3.29Å; I171-Q173 PolarHBondContact O-N 2.97Å; Q173-F175 PolarHBondContact O-N 2.87Å; Q173-S176 PolarHBondContact O-N 2.82Å
174	K	97.1	Very high	95.5	Very high	88 Å²	88	52.8 Å²	52.8	38%	0.383	27%	0.265	S	S	.	.	H	α-helix	trans	-53.7	-38.3	174.9	-178.7	-174.3	170.9	-173.8	0	111.8	E159 V161 A170 I171	E159-K174 PolarHBondContact O-NZ 3.21Å; E159-K174 VanDerWaalsContact O-NZ 3.09Å; E159-K174 WeakPolarHBondContact OE2-CE 3.33Å; E159-K174 IonicContact OE2-NZ 3.6Å; E159-K174 PolarHBondContact OE2-NZ 2.57Å; V161-K174 HydrophobicContact CG2-CD 4.49Å; A170-K174 WeakPolarHBondContact O-CB 3.41Å; A170-K174 PolarHBondContact O-N 3.26Å; I171-K174 WeakPolarHBondContact O-CB 3.47Å; I171-K174 PolarHBondContact O-N 2.97Å; I171-K174 VanDerWaalsContact O-N 3.13Å
175	F	97.1	Very high	95.5	Very high	24 Å²	24	44.8 Å²	44.8	11%	0.105	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	0.9	177.2	-68.6	-80.6	0	0	0	114.1	R139 K142 F143 F146 I171 F172 Q173 L177	R139-F175 WeakPolarHBondContact CD-O 3.31Å; K142-F175 HydrophobicContact CB-CD1 4.21Å; K142-F175 HydrophobicContact CB-CE1 4.24Å; F143-F175 HydrophobicContact CB-CB 4.24Å; F143-F175 HydrophobicContact CB-CD1 4.03Å; F143-F175 HydrophobicContact CB-CD2 4.19Å; F143-F175 HydrophobicContact CB-CG 3.88Å; F143-F175 AromaticContact CD2-CD2 3.76Å; F143-F175 HydrophobicContact CD2-CD2 3.76Å; F143-F175 HydrophobicContact CD2-CE2 4.08Å; F143-F175 HydrophobicContact CD2-CG 4.29Å; F143-F175 HydrophobicContact CG-CD2 4.47Å; F146-F175 HydrophobicContact CB-CE1 4.08Å; F146-F175 HydrophobicContact CB-CE2 4.14Å; F146-F175 HydrophobicContact CB-CZ 3.41Å; F146-F175 VanDerWaalsContact CB-CZ 3.41Å; F146-F175 AromaticContact CD1-CE2 3.69Å; F146-F175 HydrophobicContact CD1-CE2 3.69Å; F146-F175 AromaticContact CD1-CZ 3.83Å; F146-F175 HydrophobicContact CD1-CZ 3.83Å; F146-F175 HydrophobicContact CD2-CE2 4.47Å; F146-F175 HydrophobicContact CD2-CZ 4Å; F146-F175 HydrophobicContact CE1-CE2 4.21Å; F146-F175 AromaticContact CG-CE2 3.84Å; F146-F175 HydrophobicContact CG-CE2 3.84Å; F146-F175 AromaticContact CG-CZ 3.47Å; F146-F175 HydrophobicContact CG-CZ 3.47Å; F146-F175 VanDerWaalsContact CG-CZ 3.47Å; I171-F175 HydrophobicContact CG2-CD2 4.13Å; I171-F175 HydrophobicContact CG2-CE2 4.1Å; I171-F175 VanDerWaalsContact O-CD2 3.31Å; I171-F175 WeakPolarHBondContact O-CD2 3.44Å; I171-F175 PolarHBondContact O-N 3.44Å; F172-F175 CarbonylContact O-C 3.54Å; F172-F175 PolarHBondContact O-N 3.33Å; Q173-F175 PolarHBondContact O-N 2.87Å; F175-L177 VanDerWaalsContact C-N 3.3Å; F175-L177 HydrophobicContact CB-CD1 4.22Å; F175-L177 HydrophobicContact CB-CD2 4.35Å; F175-L177 HydrophobicContact CB-CG 3.87Å; F175-L177 PolarHBondContact O-N 3.08Å
176	S	96.8	Very high	95.6	Very high	79 Å²	79	37.4 Å²	37.4	55%	0.552	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	47.7	-176.9	-49.4	0	0	0	0	112.7	R139 F172 Q173	R139-S176 PolarHBondContact NE-O 3.11Å; F172-S176 PolarHBondContact O-N 3.27Å; Q173-S176 PolarHBondContact O-N 2.82Å
177	L	96.1	Very high	95.4	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.073	19%	0.187	C	C	.	.			trans	-85.2	131.9	176.8	-60.2	-176.7	0	0	0	110.2	R139 F140 F143 F172 F175 V181	R139-L177 HydrophobicContact CB-CD2 3.82Å; F140-L177 HydrophobicContact CB-CD2 4.28Å; F140-L177 HydrophobicContact CD2-CD1 4.18Å; F143-L177 HydrophobicContact CB-CD1 3.93Å; F143-L177 HydrophobicContact CD1-CD1 4.11Å; F143-L177 HydrophobicContact CD2-CD1 4.27Å; F143-L177 HydrophobicContact CG-CD1 3.83Å; F172-L177 HydrophobicContact CD1-CD1 3.92Å; F172-L177 HydrophobicContact CE1-CD1 4.44Å; F172-L177 PolarHBondContact O-N 3.16Å; F175-L177 VanDerWaalsContact C-N 3.3Å; F175-L177 HydrophobicContact CB-CD1 4.22Å; F175-L177 HydrophobicContact CB-CD2 4.35Å; F175-L177 HydrophobicContact CB-CG 3.87Å; F175-L177 PolarHBondContact O-N 3.08Å; L177-V181 HydrophobicContact CB-CB 4.27Å; L177-V181 HydrophobicContact CB-CG1 4.13Å; L177-V181 HydrophobicContact CD1-CG1 4.03Å; L177-V181 HydrophobicContact CD2-CG1 4.21Å; L177-V181 HydrophobicContact CG-CG1 4.34Å
178	G	93.3	Very high	95.2	Very high	28 Å²	28	33.6 Å²	33.6	29%	0.289	18%	0.175	S	C	.	.			trans	-75.9	165.7	178.7	0	0	0	0	0	112.8	E136 E180 V181 I182	E136-G178 PolarHBondContact OE1-N 3.22Å; G178-E180 VanDerWaalsContact C-N 3.27Å; G178-E180 PolarHBondContact O-N 2.68Å; G178-V181 WeakPolarHBondContact O-CB 3.33Å; G178-V181 PolarHBondContact O-N 3.43Å; G178-I182 WeakPolarHBondContact O-CG1 3.5Å; G178-I182 PolarHBondContact O-N 3.29Å
179	Q	90.9	Very high	95.1	Very high	93 Å²	93	33.7 Å²	33.7	44%	0.435	18%	0.175	S	C	.	.	H	α-helix	trans	-54.6	-40.9	-176.8	-172.8	61.4	46.1	0	0	112.7	V181 I182 D183	Q179-V181 VanDerWaalsContact C-N 3.25Å; Q179-V181 PolarHBondContact O-N 2.97Å; Q179-I182 WeakPolarHBondContact O-CB 3.09Å; Q179-I182 PolarHBondContact O-N 3.21Å; Q179-I182 VanDerWaalsContact O-N 3.16Å; Q179-D183 PolarHBondContact NE2-OD1 2.69Å; Q179-D183 VanDerWaalsContact O-CG 3.28Å; Q179-D183 PolarHBondContact O-N 3.36Å
180	E	88.8	Confident	94.9	Very high	93 Å²	93	29.7 Å²	29.7	44%	0.435	16%	0.16	S	C	.	.	H	α-helix	trans	-62.3	-33.6	178.8	-58.6	-174.8	139	0	0	112.8	K112 G178 F184	K112-E180 VanDerWaalsContact CE-CD 3.42Å; K112-E180 VanDerWaalsContact CE-OE1 3.29Å; K112-E180 WeakPolarHBondContact CE-OE1 3.47Å; K112-E180 WeakPolarHBondContact CE-OE2 3.5Å; K112-E180 IonicContact NZ-OE1 3.85Å; K112-E180 IonicContact NZ-OE2 3.55Å; K112-E180 PolarHBondContact NZ-OE2 2.89Å; G178-E180 VanDerWaalsContact C-N 3.27Å; G178-E180 PolarHBondContact O-N 2.68Å; E180-F184 VanDerWaalsContact O-CD1 3.24Å; E180-F184 WeakPolarHBondContact O-CD1 3.41Å; E180-F184 PolarHBondContact O-N 3.15Å
181	V	92.4	Very high	94.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-73.8	-41.1	176	179.9	0	0	0	0	111	M132 E136 F140 L177 G178 Q179 D183 F184 T185	M132-V181 HydrophobicContact CG-CG2 3.85Å; M132-V181 HydrophobicContact SD-CG1 4.45Å; M132-V181 HydrophobicContact SD-CG2 3.91Å; E136-V181 HydrophobicContact CG-CG2 3.57Å; E136-V181 WeakPolarHBondContact OE1-CG2 3.35Å; F140-V181 HydrophobicContact CD2-CG1 3.47Å; F140-V181 VanDerWaalsContact CD2-CG1 3.47Å; F140-V181 HydrophobicContact CE2-CG1 3.93Å; F140-V181 HydrophobicContact CG-CG1 4.21Å; L177-V181 HydrophobicContact CB-CB 4.27Å; L177-V181 HydrophobicContact CB-CG1 4.13Å; L177-V181 HydrophobicContact CD1-CG1 4.03Å; L177-V181 HydrophobicContact CD2-CG1 4.21Å; L177-V181 HydrophobicContact CG-CG1 4.34Å; G178-V181 WeakPolarHBondContact O-CB 3.33Å; G178-V181 PolarHBondContact O-N 3.43Å; Q179-V181 VanDerWaalsContact C-N 3.25Å; Q179-V181 PolarHBondContact O-N 2.97Å; V181-D183 VanDerWaalsContact C-N 3.32Å; V181-F184 VanDerWaalsContact CA-CE1 3.45Å; V181-F184 HydrophobicContact CB-CE1 3.94Å; V181-F184 HydrophobicContact CB-CZ 4.44Å; V181-F184 HydrophobicContact CG1-CE1 3.82Å; V181-F184 HydrophobicContact CG1-CZ 3.81Å; V181-F184 HydrophobicContact CG2-CE1 3.97Å; V181-T185 WeakPolarHBondContact O-CB 3.38Å; V181-T185 PolarHBondContact O-N 3.42Å; V181-T185 PolarHBondContact O-OG1 3.47Å
182	I	94.6	Very high	94.6	Very high	18 Å²	18	29.7 Å²	29.7	9%	0.092	15%	0.154	C	C	.	.	H	α-helix	trans	-58.3	-48	175.2	-66.5	174.2	0	0	0	109.7	F172 G178 Q179 T185 G186 Y197 L198	F172-I182 HydrophobicContact CB-CD1 3.84Å; F172-I182 HydrophobicContact CB-CG1 3.94Å; F172-I182 HydrophobicContact CD1-CG1 4.27Å; F172-I182 HydrophobicContact CD2-CB 4.33Å; F172-I182 HydrophobicContact CD2-CD1 4.04Å; F172-I182 HydrophobicContact CD2-CG1 3.72Å; F172-I182 HydrophobicContact CD2-CG2 3.88Å; F172-I182 HydrophobicContact CE2-CB 4.36Å; F172-I182 HydrophobicContact CE2-CG1 4.19Å; F172-I182 HydrophobicContact CE2-CG2 3.74Å; F172-I182 HydrophobicContact CG-CD1 4.12Å; F172-I182 HydrophobicContact CG-CG1 3.75Å; F172-I182 HydrophobicContact CZ-CG2 4.48Å; G178-I182 WeakPolarHBondContact O-CG1 3.5Å; G178-I182 PolarHBondContact O-N 3.29Å; Q179-I182 WeakPolarHBondContact O-CB 3.09Å; Q179-I182 PolarHBondContact O-N 3.21Å; Q179-I182 VanDerWaalsContact O-N 3.16Å; I182-T185 PolarHBondContact O-N 2.82Å; I182-G186 PolarHBondContact O-N 3.29Å; I182-Y197 PolarHBondContact O-OH 3.37Å; I182-L198 HydrophobicContact CG2-CD1 4.44Å; I182-L198 HydrophobicContact CG2-CD2 3.68Å
183	D	91.6	Very high	94.1	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.032	17%	0.174	C	C	.	.	H	α-helix	trans	-55.2	-58.8	178.9	-70.7	-9.4	0	0	0	111	Q179 V181 T185 G186 H187 N324	Q179-D183 PolarHBondContact NE2-OD1 2.69Å; Q179-D183 VanDerWaalsContact O-CG 3.28Å; Q179-D183 PolarHBondContact O-N 3.36Å; V181-D183 VanDerWaalsContact C-N 3.32Å; D183-T185 VanDerWaalsContact C-N 3.27Å; D183-T185 PolarHBondContact O-N 3.22Å; D183-G186 PolarHBondContact O-N 3.46Å; D183-H187 VanDerWaalsContact O-CB 3.29Å; D183-H187 WeakPolarHBondContact O-CB 3.42Å; D183-H187 PolarHBondContact O-CD2 3.46Å; D183-H187 PolarHBondContact O-N 3.22Å; D183-N324 PolarHBondContact OD1-ND2 2.99Å
184	F	91.9	Very high	93.7	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.035	16%	0.157	C	C	.	.	H	α-helix	trans	-68.4	-28.7	-177.6	82.4	-109.3	0	0	0	112.5	V110 P120 L131 M132 F140 E180 V181 S188 L189	V110-F184 HydrophobicContact CB-CB 4.49Å; V110-F184 HydrophobicContact CG1-CB 4.15Å; V110-F184 HydrophobicContact CG2-CB 3.96Å; P120-F184 HydrophobicContact CG-CE2 4.02Å; P120-F184 HydrophobicContact CG-CZ 4.25Å; L131-F184 HydrophobicContact CD1-CD1 4.45Å; M132-F184 HydrophobicContact CE-CE1 4.19Å; M132-F184 HydrophobicContact CE-CZ 3.76Å; M132-F184 HydrophobicContact CG-CE1 4.11Å; M132-F184 HydrophobicContact SD-CE1 3.95Å; M132-F184 HydrophobicContact SD-CZ 3.81Å; F140-F184 HydrophobicContact CD1-CZ 4.25Å; F140-F184 HydrophobicContact CD2-CZ 4.24Å; F140-F184 AromaticContact CE1-CE2 3.89Å; F140-F184 HydrophobicContact CE1-CE2 3.89Å; F140-F184 AromaticContact CE1-CZ 3.89Å; F140-F184 HydrophobicContact CE1-CZ 3.89Å; F140-F184 AromaticContact CE2-CE2 3.93Å; F140-F184 HydrophobicContact CE2-CE2 3.93Å; F140-F184 AromaticContact CE2-CZ 3.91Å; F140-F184 HydrophobicContact CE2-CZ 3.91Å; F140-F184 HydrophobicContact CG-CZ 4.4Å; F140-F184 AromaticContact CZ-CE2 3.47Å; F140-F184 HydrophobicContact CZ-CE2 3.47Å; F140-F184 VanDerWaalsContact CZ-CE2 3.47Å; F140-F184 AromaticContact CZ-CZ 3.73Å; F140-F184 HydrophobicContact CZ-CZ 3.73Å; E180-F184 VanDerWaalsContact O-CD1 3.24Å; E180-F184 WeakPolarHBondContact O-CD1 3.41Å; E180-F184 PolarHBondContact O-N 3.15Å; V181-F184 VanDerWaalsContact CA-CE1 3.45Å; V181-F184 HydrophobicContact CB-CE1 3.94Å; V181-F184 HydrophobicContact CB-CZ 4.44Å; V181-F184 HydrophobicContact CG1-CE1 3.82Å; V181-F184 HydrophobicContact CG1-CZ 3.81Å; V181-F184 HydrophobicContact CG2-CE1 3.97Å; F184-S188 VanDerWaalsContact O-CA 3.31Å; F184-S188 WeakPolarHBondContact O-CA 3.48Å; F184-S188 WeakPolarHBondContact O-CB 3.45Å; F184-S188 PolarHBondContact O-N 2.83Å; F184-L189 PolarHBondContact O-N 3.05Å
185	T	95	Very high	93.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-69.9	-49.9	178.2	-58.9	0	0	0	0	110.9	F140 F143 F172 V181 I182 D183 L189 A190 I209	F140-T185 VanDerWaalsContact CE2-OG1 3.3Å; F140-T185 WeakPolarHBondContact CE2-OG1 3.37Å; F143-T185 HydrophobicContact CE1-CG2 3.79Å; F143-T185 HydrophobicContact CZ-CG2 4.15Å; F172-T185 HydrophobicContact CE1-CG2 3.89Å; F172-T185 HydrophobicContact CZ-CG2 3.96Å; V181-T185 WeakPolarHBondContact O-CB 3.38Å; V181-T185 PolarHBondContact O-N 3.42Å; V181-T185 PolarHBondContact O-OG1 3.47Å; I182-T185 PolarHBondContact O-N 2.82Å; D183-T185 VanDerWaalsContact C-N 3.27Å; D183-T185 PolarHBondContact O-N 3.22Å; T185-L189 HydrophobicContact CG2-CD1 4.29Å; T185-L189 WeakPolarHBondContact O-CB 3.5Å; T185-L189 PolarHBondContact O-N 3.05Å; T185-A190 PolarHBondContact O-N 2.74Å; T185-I209 HydrophobicContact CG2-CD1 3.77Å
186	G	96.1	Very high	93.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-64.4	-47.7	179	0	0	0	0	0	112.6	I182 D183 A190 L191 Y192 Y197	I182-G186 PolarHBondContact O-N 3.29Å; D183-G186 PolarHBondContact O-N 3.46Å; G186-A190 CarbonylContact O-C 3.52Å; G186-A190 WeakPolarHBondContact O-CB 3.41Å; G186-L191 PolarHBondContact O-N 2.78Å; G186-Y192 PolarHBondContact O-N 3.5Å; G186-Y197 VanDerWaalsContact CA-OH 3.28Å; G186-Y197 WeakPolarHBondContact CA-OH 3.35Å
187	H	95.6	Very high	93.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-87	-32.4	-171	-66.5	-92.3	0	0	0	113.1	D183 L191 Y192 D195 I320 P322 D331	D183-H187 VanDerWaalsContact O-CB 3.29Å; D183-H187 WeakPolarHBondContact O-CB 3.42Å; D183-H187 PolarHBondContact O-CD2 3.46Å; D183-H187 PolarHBondContact O-N 3.22Å; H187-L191 WeakPolarHBondContact O-CA 3.31Å; H187-Y192 PolarHBondContact ND1-O 3.13Å; H187-D195 IonicContact NE2-OD1 3.46Å; H187-D195 PolarHBondContact NE2-OD1 3.07Å; H187-I320 HydrophobicContact CB-CG2 4.34Å; H187-P322 HydrophobicContact CB-CB 4.28Å; H187-P322 HydrophobicContact CB-CG 4.24Å; H187-D331 IonicContact CE1-OD1 3.9Å; H187-D331 PolarHBondContact CE1-OD1 3.19Å; H187-D331 IonicContact CE1-OD2 3.74Å; H187-D331 IonicContact CG-OD1 3.11Å; H187-D331 IonicContact CG-OD2 3.84Å; H187-D331 IonicContact ND1-OD1 2.76Å; H187-D331 PolarHBondContact ND1-OD1 3.06Å; H187-D331 IonicContact ND1-OD2 2.79Å; H187-D331 PolarHBondContact ND1-OD2 2.83Å
188	S	94	Very high	93.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-106.9	-22.8	-174.9	-47.2	0	0	0	0	115.6	V110 F184 Y212	V110-S188 WeakPolarHBondContact CB-OG 3.45Å; V110-S188 VanDerWaalsContact CG2-OG 3.28Å; V110-S188 WeakPolarHBondContact CG2-OG 3.45Å; F184-S188 VanDerWaalsContact O-CA 3.31Å; F184-S188 WeakPolarHBondContact O-CA 3.48Å; F184-S188 WeakPolarHBondContact O-CB 3.45Å; F184-S188 PolarHBondContact O-N 2.83Å; S188-Y212 WeakPolarHBondContact O-CE2 3.34Å
189	L	94.8	Very high	93.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.156	C	C	.	.	I	π-helix	trans	-99.9	-50.9	171.9	-63.5	174.6	0	0	0	111.5	V119 F140 L144 F184 T185 L191 I209 Y212	V119-L189 HydrophobicContact CG1-CD2 3.53Å; V119-L189 HydrophobicContact CG1-CG 4.07Å; F140-L189 HydrophobicContact CZ-CD1 3.91Å; L144-L189 HydrophobicContact CD2-CD1 4.46Å; F184-L189 PolarHBondContact O-N 3.05Å; T185-L189 HydrophobicContact CG2-CD1 4.29Å; T185-L189 WeakPolarHBondContact O-CB 3.5Å; T185-L189 PolarHBondContact O-N 3.05Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L189-I209 HydrophobicContact CB-CG1 4.27Å; L189-Y212 HydrophobicContact CD2-CD1 3.53Å; L189-Y212 HydrophobicContact CD2-CD2 4.2Å; L189-Y212 HydrophobicContact CD2-CE1 3.53Å; L189-Y212 HydrophobicContact CD2-CE2 4.15Å; L189-Y212 HydrophobicContact CD2-CG 3.91Å; L189-Y212 WeakPolarHBondContact O-CB 3.13Å; L189-Y212 WeakPolarHBondContact O-CD2 3.46Å
190	A	95.7	Very high	94	Very high	1 Å²	1	34 Å²	34	1%	0.008	16%	0.16	C	C	.	.	S	Bend	trans	-83.3	-10.8	-179.8	0	0	0	0	0	113.9	T185 G186 Y192 T205 R208 I209	T185-A190 PolarHBondContact O-N 2.74Å; G186-A190 CarbonylContact O-C 3.52Å; G186-A190 WeakPolarHBondContact O-CB 3.41Å; A190-Y192 VanDerWaalsContact C-N 3.25Å; A190-Y192 HydrophobicContact CB-CD2 3.59Å; A190-Y192 HydrophobicContact CB-CE2 3.65Å; A190-Y192 PolarHBondContact O-N 3.05Å; A190-T205 HydrophobicContact CB-CG2 4.06Å; A190-R208 HydrophobicContact CB-CB 4Å; A190-R208 WeakPolarHBondContact O-CD 3.26Å; A190-R208 PolarHBondContact O-NH1 3.08Å; A190-I209 HydrophobicContact CB-CG1 3.98Å
191	L	94.8	Very high	94.4	Very high	8 Å²	8	32 Å²	32	4%	0.042	16%	0.156	C	C	.	.			trans	55.2	38.7	176.6	-53.2	179.3	0	0	0	113.2	M82 G186 H187 L189 Y224 I320	M82-L191 HydrophobicContact CE-CD1 3.39Å; G186-L191 PolarHBondContact O-N 2.78Å; H187-L191 WeakPolarHBondContact O-CA 3.31Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L191-Y224 HydrophobicContact CD1-CE1 4.29Å; L191-Y224 WeakPolarHBondContact CD2-OH 3.47Å; L191-I320 HydrophobicContact CD2-CD1 3.7Å
192	Y	93.9	Very high	94.7	Very high	31 Å²	31	32 Å²	32	12%	0.122	16%	0.155	C	C	.	.			trans	-76.4	148.4	168.2	-71.3	-68.1	0	0	0	110.8	G186 H187 A190 Y197 D204 T205 R208	G186-Y192 PolarHBondContact O-N 3.5Å; H187-Y192 PolarHBondContact ND1-O 3.13Å; A190-Y192 VanDerWaalsContact C-N 3.25Å; A190-Y192 HydrophobicContact CB-CD2 3.59Å; A190-Y192 HydrophobicContact CB-CE2 3.65Å; A190-Y192 PolarHBondContact O-N 3.05Å; Y192-Y197 HydrophobicContact CD1-CD1 4.48Å; Y192-Y197 HydrophobicContact CD1-CG 4.29Å; Y192-Y197 AromaticContact CD2-CD1 3.55Å; Y192-Y197 HydrophobicContact CD2-CD1 3.55Å; Y192-Y197 AromaticContact CD2-CD2 3.6Å; Y192-Y197 HydrophobicContact CD2-CD2 3.6Å; Y192-Y197 HydrophobicContact CD2-CE1 4.1Å; Y192-Y197 HydrophobicContact CD2-CE2 4.12Å; Y192-Y197 AromaticContact CD2-CG 3.29Å; Y192-Y197 HydrophobicContact CD2-CG 3.29Å; Y192-Y197 HydrophobicContact CE1-CG 4.39Å; Y192-Y197 VanDerWaalsContact CE2-CB 3.46Å; Y192-Y197 HydrophobicContact CE2-CD1 4.15Å; Y192-Y197 AromaticContact CE2-CD2 3.44Å; Y192-Y197 HydrophobicContact CE2-CD2 3.44Å; Y192-Y197 VanDerWaalsContact CE2-CD2 3.44Å; Y192-Y197 HydrophobicContact CE2-CE2 4.24Å; Y192-Y197 AromaticContact CE2-CG 3.4Å; Y192-Y197 HydrophobicContact CE2-CG 3.4Å; Y192-Y197 AromaticContact CG-CD1 3.72Å; Y192-Y197 HydrophobicContact CG-CD1 3.72Å; Y192-Y197 HydrophobicContact CG-CD2 4.49Å; Y192-Y197 HydrophobicContact CG-CE1 4.46Å; Y192-Y197 AromaticContact CG-CG 3.76Å; Y192-Y197 HydrophobicContact CG-CG 3.76Å; Y192-Y197 VanDerWaalsContact CZ-CB 3.43Å; Y192-Y197 AromaticContact CZ-CG 3.95Å; Y192-D204 PolarHBondContact OH-OD2 2.84Å; Y192-T205 HydrophobicContact CE2-CG2 3.88Å; Y192-T205 VanDerWaalsContact CE2-OG1 3.3Å; Y192-T205 WeakPolarHBondContact CE2-OG1 3.39Å; Y192-T205 PolarHBondContact OH-N 2.49Å; Y192-T205 PolarHBondContact OH-OG1 3.19Å; Y192-R208 VanDerWaalsContact CZ-CD 3.47Å; Y192-R208 WeakPolarHBondContact OH-CD 3.47Å
193	R	88.7	Confident	94.7	Very high	117 Å²	117	32.7 Å²	32.7	44%	0.442	16%	0.158	S	C	.	.	S	Bend	trans	-91.7	-19.7	179.9	-58.3	175.2	-64.4	-175	6.1	112.9	Q323 D405 T407	R193-Q323 PolarHBondContact O-OE1 2.85Å; R193-D405 IonicContact CZ-OD2 3.44Å; R193-D405 IonicContact NH1-OD2 3.24Å; R193-D405 PolarHBondContact NH1-OD2 2.92Å; R193-T407 HydrophobicContact CG-CG2 3.71Å
194	T	88.6	Confident	94.9	Very high	38 Å²	38	36.4 Å²	36.4	23%	0.233	18%	0.178	C	C	.	.	S	Bend	trans	-147.7	162.2	-175.3	66	0	0	0	0	109.5	E196 Y197	T194-E196 PolarHBondContact O-N 2.79Å; T194-Y197 WeakPolarHBondContact O-CD1 3.43Å
195	D	94.4	Very high	95.2	Very high	35 Å²	35	36 Å²	36	19%	0.187	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-78.5	7.4	179.7	-85.6	-34.7	0	0	0	114.8	H187 Y197 L198 N324	H187-D195 IonicContact NE2-OD1 3.46Å; H187-D195 PolarHBondContact NE2-OD1 3.07Å; D195-Y197 PolarHBondContact O-N 3.36Å; D195-Y197 VanDerWaalsContact O-N 3.15Å; D195-L198 HydrophobicContact CB-CD1 3.87Å; D195-L198 HydrophobicContact CB-CG 4.4Å; D195-L198 VanDerWaalsContact O-CB 3.31Å; D195-L198 WeakPolarHBondContact O-CB 3.25Å; D195-L198 WeakPolarHBondContact O-CG 3.47Å; D195-L198 PolarHBondContact O-N 3.28Å; D195-L198 VanDerWaalsContact O-N 3.07Å; D195-N324 PolarHBondContact OD2-ND2 2.81Å
196	E	93.8	Very high	95.3	Very high	145 Å²	145	36 Å²	36	68%	0.678	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-58.9	-30.1	-179.7	-70.1	177.6	-169.2	0	0	112.7	T194 L198 D199	T194-E196 PolarHBondContact O-N 2.79Å; E196-L198 PolarHBondContact O-N 3.08Å; E196-L198 VanDerWaalsContact O-N 3.16Å; E196-D199 PolarHBondContact O-N 3.07Å
197	Y	96.1	Very high	95.2	Very high	6 Å²	6	39.3 Å²	39.3	2%	0.024	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61.4	-21.5	178.2	79.6	-81	0	0	0	113.7	M168 F172 I182 G186 Y192 T194 D195 D199 Q200 T205	M168-Y197 HydrophobicContact CB-CD2 4.16Å; M168-Y197 HydrophobicContact CB-CE2 4.4Å; M168-Y197 HydrophobicContact CG-CD2 4.06Å; M168-Y197 HydrophobicContact CG-CE2 3.94Å; F172-Y197 AromaticContact CE2-CE2 3.84Å; F172-Y197 HydrophobicContact CE2-CE2 3.84Å; F172-Y197 HydrophobicContact CZ-CE2 4.26Å; I182-Y197 PolarHBondContact O-OH 3.37Å; G186-Y197 VanDerWaalsContact CA-OH 3.28Å; G186-Y197 WeakPolarHBondContact CA-OH 3.35Å; Y192-Y197 HydrophobicContact CD1-CD1 4.48Å; Y192-Y197 HydrophobicContact CD1-CG 4.29Å; Y192-Y197 AromaticContact CD2-CD1 3.55Å; Y192-Y197 HydrophobicContact CD2-CD1 3.55Å; Y192-Y197 AromaticContact CD2-CD2 3.6Å; Y192-Y197 HydrophobicContact CD2-CD2 3.6Å; Y192-Y197 HydrophobicContact CD2-CE1 4.1Å; Y192-Y197 HydrophobicContact CD2-CE2 4.12Å; Y192-Y197 AromaticContact CD2-CG 3.29Å; Y192-Y197 HydrophobicContact CD2-CG 3.29Å; Y192-Y197 HydrophobicContact CE1-CG 4.39Å; Y192-Y197 VanDerWaalsContact CE2-CB 3.46Å; Y192-Y197 HydrophobicContact CE2-CD1 4.15Å; Y192-Y197 AromaticContact CE2-CD2 3.44Å; Y192-Y197 HydrophobicContact CE2-CD2 3.44Å; Y192-Y197 VanDerWaalsContact CE2-CD2 3.44Å; Y192-Y197 HydrophobicContact CE2-CE2 4.24Å; Y192-Y197 AromaticContact CE2-CG 3.4Å; Y192-Y197 HydrophobicContact CE2-CG 3.4Å; Y192-Y197 AromaticContact CG-CD1 3.72Å; Y192-Y197 HydrophobicContact CG-CD1 3.72Å; Y192-Y197 HydrophobicContact CG-CD2 4.49Å; Y192-Y197 HydrophobicContact CG-CE1 4.46Å; Y192-Y197 AromaticContact CG-CG 3.76Å; Y192-Y197 HydrophobicContact CG-CG 3.76Å; Y192-Y197 VanDerWaalsContact CZ-CB 3.43Å; Y192-Y197 AromaticContact CZ-CG 3.95Å; T194-Y197 WeakPolarHBondContact O-CD1 3.43Å; D195-Y197 PolarHBondContact O-N 3.36Å; D195-Y197 VanDerWaalsContact O-N 3.15Å; Y197-D199 PolarHBondContact O-N 3.04Å; Y197-Q200 PolarHBondContact O-N 3.03Å; Y197-T205 HydrophobicContact CD2-CG2 4.05Å; Y197-T205 HydrophobicContact CE2-CG2 4.19Å
198	L	97.5	Very high	95.3	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.026	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-60.4	-35.2	-178.9	-70	177.5	0	0	0	111.8	T167 M168 R169 F172 I182 D195 E196	T167-L198 WeakPolarHBondContact CB-O 3.47Å; M168-L198 PolarHBondContact N-O 2.83Å; R169-L198 HydrophobicContact CB-CB 4.35Å; R169-L198 VanDerWaalsContact CB-O 3.23Å; R169-L198 WeakPolarHBondContact CB-O 3.48Å; R169-L198 PolarHBondContact N-O 2.84Å; F172-L198 HydrophobicContact CD2-CD2 3.77Å; F172-L198 HydrophobicContact CE2-CD2 3.63Å; I182-L198 HydrophobicContact CG2-CD1 4.44Å; I182-L198 HydrophobicContact CG2-CD2 3.68Å; D195-L198 HydrophobicContact CB-CD1 3.87Å; D195-L198 HydrophobicContact CB-CG 4.4Å; D195-L198 VanDerWaalsContact O-CB 3.31Å; D195-L198 WeakPolarHBondContact O-CB 3.25Å; D195-L198 WeakPolarHBondContact O-CG 3.47Å; D195-L198 PolarHBondContact O-N 3.28Å; D195-L198 VanDerWaalsContact O-N 3.07Å; E196-L198 PolarHBondContact O-N 3.08Å; E196-L198 VanDerWaalsContact O-N 3.16Å
199	D	97.8	Very high	95.3	Very high	90 Å²	90	42.8 Å²	42.8	48%	0.481	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-102.7	7.6	-177.1	-59.7	-50.9	0	0	0	112.7	R169 E196 Y197	R169-D199 IonicContact CZ-OD1 3.89Å; R169-D199 IonicContact CZ-OD2 3.22Å; R169-D199 IonicContact NE-OD1 3.53Å; R169-D199 PolarHBondContact NE-OD1 3.06Å; R169-D199 IonicContact NE-OD2 3.75Å; R169-D199 IonicContact NH2-OD1 2.79Å; R169-D199 PolarHBondContact NH2-OD1 3.49Å; R169-D199 IonicContact NH2-OD2 2.68Å; R169-D199 PolarHBondContact NH2-OD2 2.82Å; E196-D199 PolarHBondContact O-N 3.07Å; Y197-D199 PolarHBondContact O-N 3.04Å
200	Q	97.9	Very high	95.3	Very high	111 Å²	111	44.7 Å²	44.7	52%	0.519	22%	0.216	S	C	.	.	S	Bend	trans	-92.8	159.1	171.1	-61	-55	-43.3	0	0	111.6	T167 M168 Y197 C202	T167-Q200 VanDerWaalsContact CA-O 3.24Å; T167-Q200 WeakPolarHBondContact CA-O 3.46Å; M168-Q200 PolarHBondContact N-O 2.95Å; M168-Q200 VanDerWaalsContact N-O 3.15Å; Y197-Q200 PolarHBondContact O-N 3.03Å; Q200-C202 PolarHBondContact O-N 2.94Å
201	P	98	Very high	95.3	Very high	52 Å²	52	46.6 Å²	46.6	34%	0.338	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-51.5	137.3	172.6	-27.2	35.7	0	0	0	112.7	P163 K164 T166 M203	P163-P201 WeakPolarHBondContact O-CB 3.34Å; K164-P201 WeakPolarHBondContact O-CG 3.5Å; T166-P201 WeakPolarHBondContact O-CA 3.17Å; P201-M203 PolarHBondContact O-N 2.85Å; P201-M203 VanDerWaalsContact O-N 3.17Å
202	C	97.4	Very high	95.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.3	-16.3	-169	66.7	0	0	0	0	114.8	T166 M168 I171 Q200 D204 T205 I206	T166-C202 WeakPolarHBondContact O-CB 3.34Å; T166-C202 PolarHBondContact O-N 3.13Å; M168-C202 HydrophobicContact SD-CB 3.9Å; I171-C202 HydrophobicContact CD1-CB 4.45Å; I171-C202 HydrophobicContact CG1-CB 3.64Å; Q200-C202 PolarHBondContact O-N 2.94Å; C202-D204 PolarHBondContact O-N 2.89Å; C202-T205 PolarHBondContact O-N 2.75Å; C202-I206 HydrophobicContact CB-CD1 4.17Å; C202-I206 WeakPolarHBondContact O-CG1 3.43Å; C202-I206 PolarHBondContact O-N 2.57Å
203	M	96.2	Very high	95.2	Very high	32 Å²	32	46.6 Å²	46.6	16%	0.158	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-46.7	-172.1	-167.9	63.9	-171	0	0	113.4	F150 E152 P163 P201 T205 I206 N207	F150-M203 HydrophobicContact CD1-SD 4.4Å; F150-M203 HydrophobicContact CE1-CE 4.47Å; F150-M203 HydrophobicContact CE1-SD 3.73Å; E152-M203 HydrophobicContact CB-CE 3.94Å; E152-M203 HydrophobicContact CG-CE 4.12Å; E152-M203 WeakPolarHBondContact OE2-CE 3.2Å; P163-M203 HydrophobicContact CB-CB 4.04Å; P163-M203 HydrophobicContact CB-CG 4.32Å; P163-M203 HydrophobicContact CB-SD 3.73Å; P163-M203 PolarHBondContact O-N 3.31Å; P201-M203 PolarHBondContact O-N 2.85Å; P201-M203 VanDerWaalsContact O-N 3.17Å; M203-T205 VanDerWaalsContact C-N 3.31Å; M203-T205 PolarHBondContact O-N 3.02Å; M203-I206 PolarHBondContact O-N 3.3Å; M203-N207 WeakPolarHBondContact O-CB 3.09Å; M203-N207 PolarHBondContact O-N 3.16Å; M203-N207 PolarHBondContact O-ND2 3.48Å
204	D	95.1	Very high	95.4	Very high	84 Å²	84	45.9 Å²	45.9	45%	0.449	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-42.2	-179.3	-167.3	55.9	0	0	0	110.9	Y192 C202 N207 R208	Y192-D204 PolarHBondContact OH-OD2 2.84Å; C202-D204 PolarHBondContact O-N 2.89Å; D204-N207 PolarHBondContact O-N 3.28Å; D204-R208 WeakPolarHBondContact O-CB 3.15Å; D204-R208 VanDerWaalsContact O-CG 3.26Å; D204-R208 WeakPolarHBondContact O-CG 3.48Å; D204-R208 PolarHBondContact O-N 3.23Å; D204-R208 IonicContact OD2-CZ 3.07Å; D204-R208 IonicContact OD2-NE 3.98Å; D204-R208 PolarHBondContact OD2-NE 3.28Å; D204-R208 IonicContact OD2-NH2 2.75Å
205	T	97.4	Very high	95.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-43.7	177.4	-53.6	0	0	0	0	112.4	M168 A190 Y192 Y197 C202 M203 N207 R208 I209	M168-T205 HydrophobicContact CE-CG2 3.85Å; M168-T205 HydrophobicContact CG-CG2 3.73Å; M168-T205 HydrophobicContact SD-CG2 3.55Å; M168-T205 VanDerWaalsContact SD-CG2 3.55Å; A190-T205 HydrophobicContact CB-CG2 4.06Å; Y192-T205 HydrophobicContact CE2-CG2 3.88Å; Y192-T205 VanDerWaalsContact CE2-OG1 3.3Å; Y192-T205 WeakPolarHBondContact CE2-OG1 3.39Å; Y192-T205 PolarHBondContact OH-N 2.49Å; Y192-T205 PolarHBondContact OH-OG1 3.19Å; Y197-T205 HydrophobicContact CD2-CG2 4.05Å; Y197-T205 HydrophobicContact CE2-CG2 4.19Å; C202-T205 PolarHBondContact O-N 2.75Å; M203-T205 VanDerWaalsContact C-N 3.31Å; M203-T205 PolarHBondContact O-N 3.02Å; T205-N207 VanDerWaalsContact C-N 3.33Å; T205-N207 PolarHBondContact O-N 2.67Å; T205-R208 PolarHBondContact O-N 3.13Å; T205-I209 HydrophobicContact CG2-CD1 3.92Å; T205-I209 HydrophobicContact CG2-CG1 4.47Å; T205-I209 VanDerWaalsContact O-CG1 3.27Å; T205-I209 WeakPolarHBondContact O-CG1 3.44Å; T205-I209 PolarHBondContact O-N 3.28Å
206	I	97	Very high	95.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-47.1	175.6	-70.8	170.7	0	0	0	109.9	F146 V147 F150 C202 M203 R208 I209 K210	F146-I206 HydrophobicContact CE1-CD1 4.2Å; V147-I206 HydrophobicContact CG1-CG2 4.27Å; F150-I206 HydrophobicContact CB-CG2 4.05Å; F150-I206 HydrophobicContact CD1-CD1 4.29Å; F150-I206 HydrophobicContact CD1-CG2 3.97Å; F150-I206 HydrophobicContact CD2-CD1 4.01Å; F150-I206 HydrophobicContact CE1-CD1 4.29Å; F150-I206 HydrophobicContact CE2-CD1 3.99Å; F150-I206 HydrophobicContact CG-CD1 4.16Å; F150-I206 HydrophobicContact CG-CG2 4.04Å; F150-I206 HydrophobicContact CZ-CD1 4.14Å; C202-I206 HydrophobicContact CB-CD1 4.17Å; C202-I206 WeakPolarHBondContact O-CG1 3.43Å; C202-I206 PolarHBondContact O-N 2.57Å; M203-I206 PolarHBondContact O-N 3.3Å; I206-R208 PolarHBondContact O-N 2.85Å; I206-I209 PolarHBondContact O-N 3.28Å; I206-K210 HydrophobicContact CG2-CD 4.42Å; I206-K210 WeakPolarHBondContact O-CG 3.46Å; I206-K210 PolarHBondContact O-N 2.88Å
207	N	95.6	Very high	95.4	Very high	69 Å²	69	40 Å²	40	37%	0.369	22%	0.216	S	C	.	.	H	α-helix	trans	-63.7	-39	179	-73.7	-20.9	0	0	0	112.8	M203 D204 T205 K210 L211	M203-N207 WeakPolarHBondContact O-CB 3.09Å; M203-N207 PolarHBondContact O-N 3.16Å; M203-N207 PolarHBondContact O-ND2 3.48Å; D204-N207 PolarHBondContact O-N 3.28Å; T205-N207 VanDerWaalsContact C-N 3.33Å; T205-N207 PolarHBondContact O-N 2.67Å; N207-K210 PolarHBondContact O-N 3.04Å; N207-L211 VanDerWaalsContact O-CB 3.31Å; N207-L211 WeakPolarHBondContact O-CB 3.36Å; N207-L211 PolarHBondContact O-N 3.43Å
208	R	95.7	Very high	95.1	Very high	73 Å²	73	46.2 Å²	46.2	28%	0.275	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-43.5	174.9	-73.3	164.2	169.2	-94.2	-2.6	112.2	A190 Y192 D204 T205 I206 L211 Y212	A190-R208 HydrophobicContact CB-CB 4Å; A190-R208 WeakPolarHBondContact O-CD 3.26Å; A190-R208 PolarHBondContact O-NH1 3.08Å; Y192-R208 VanDerWaalsContact CZ-CD 3.47Å; Y192-R208 WeakPolarHBondContact OH-CD 3.47Å; D204-R208 WeakPolarHBondContact O-CB 3.15Å; D204-R208 VanDerWaalsContact O-CG 3.26Å; D204-R208 WeakPolarHBondContact O-CG 3.48Å; D204-R208 PolarHBondContact O-N 3.23Å; D204-R208 IonicContact OD2-CZ 3.07Å; D204-R208 IonicContact OD2-NE 3.98Å; D204-R208 PolarHBondContact OD2-NE 3.28Å; D204-R208 IonicContact OD2-NH2 2.75Å; T205-R208 PolarHBondContact O-N 3.13Å; I206-R208 PolarHBondContact O-N 2.85Å; R208-L211 WeakPolarHBondContact O-CB 3.25Å; R208-L211 PolarHBondContact O-N 3.18Å; R208-Y212 PolarHBondContact O-N 2.85Å
209	I	95.9	Very high	94.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66	-42.3	177.7	-63.1	166.8	0	0	0	110.3	F143 V147 M168 T185 L189 A190 T205 I206 Y212 S213	F143-I209 HydrophobicContact CE1-CD1 4.09Å; F143-I209 HydrophobicContact CZ-CD1 3.7Å; V147-I209 HydrophobicContact CG1-CB 3.97Å; V147-I209 HydrophobicContact CG1-CG2 3.75Å; M168-I209 HydrophobicContact CE-CD1 4.38Å; T185-I209 HydrophobicContact CG2-CD1 3.77Å; L189-I209 HydrophobicContact CB-CG1 4.27Å; A190-I209 HydrophobicContact CB-CG1 3.98Å; T205-I209 HydrophobicContact CG2-CD1 3.92Å; T205-I209 HydrophobicContact CG2-CG1 4.47Å; T205-I209 VanDerWaalsContact O-CG1 3.27Å; T205-I209 WeakPolarHBondContact O-CG1 3.44Å; T205-I209 PolarHBondContact O-N 3.28Å; I206-I209 PolarHBondContact O-N 3.28Å; I209-Y212 WeakPolarHBondContact O-CB 3.32Å; I209-Y212 PolarHBondContact O-N 3.5Å; I209-S213 PolarHBondContact O-N 3.01Å; I209-S213 PolarHBondContact O-OG 3.41Å
210	K	94.6	Very high	94.1	Very high	42 Å²	42	48.9 Å²	48.9	18%	0.183	26%	0.259	C	S	.	.	H	α-helix	trans	-57.9	-49	172.4	-77	-178.4	165.5	-161.8	0	111.9	V147 F150 I206 N207 Y212 S213 E214	V147-K210 HydrophobicContact CG1-CG 3.82Å; V147-K210 WeakPolarHBondContact O-CE 3.22Å; F150-K210 WeakPolarHBondContact O-CE 3.43Å; F150-K210 PolarHBondContact O-NZ 3.26Å; I206-K210 HydrophobicContact CG2-CD 4.42Å; I206-K210 WeakPolarHBondContact O-CG 3.46Å; I206-K210 PolarHBondContact O-N 2.88Å; N207-K210 PolarHBondContact O-N 3.04Å; K210-Y212 PolarHBondContact O-N 3.23Å; K210-S213 PolarHBondContact O-N 2.88Å; K210-S213 VanDerWaalsContact O-N 3.08Å; K210-E214 WeakPolarHBondContact O-CB 3.33Å; K210-E214 VanDerWaalsContact O-CG 3.29Å; K210-E214 WeakPolarHBondContact O-CG 3.3Å; K210-E214 PolarHBondContact O-N 2.68Å
211	L	93.9	Very high	93.7	Very high	41 Å²	41	48.5 Å²	48.5	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-54.6	-43	178.1	173.2	63.2	0	0	0	111.3	M82 N84 N207 R208 S215	M82-L211 HydrophobicContact CG-CD1 4.06Å; M82-L211 HydrophobicContact CG-CD2 4.02Å; M82-L211 HydrophobicContact CG-CG 3.81Å; N84-L211 VanDerWaalsContact C-CD1 3.49Å; N84-L211 HydrophobicContact CB-CD1 3.75Å; N84-L211 VanDerWaalsContact O-CD1 3.3Å; N84-L211 WeakPolarHBondContact O-CD1 3.46Å; N207-L211 VanDerWaalsContact O-CB 3.31Å; N207-L211 WeakPolarHBondContact O-CB 3.36Å; N207-L211 PolarHBondContact O-N 3.43Å; R208-L211 WeakPolarHBondContact O-CB 3.25Å; R208-L211 PolarHBondContact O-N 3.18Å; L211-S215 WeakPolarHBondContact O-CB 3.46Å; L211-S215 PolarHBondContact O-N 3.06Å; L211-S215 PolarHBondContact O-OG 3.25Å
212	Y	95.1	Very high	93.5	Very high	3 Å²	3	46 Å²	46	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-52.8	174.5	-171.6	-70.7	0	0	0	111.4	M82 S108 S188 L189 R208 I209 K210 E214 S215 L216 P223	M82-Y212 HydrophobicContact CE-CD2 4.28Å; S108-Y212 WeakPolarHBondContact CB-OH 3.08Å; S108-Y212 PolarHBondContact OG-OH 3.15Å; S108-Y212 VanDerWaalsContact OG-OH 3.07Å; S188-Y212 WeakPolarHBondContact O-CE2 3.34Å; L189-Y212 HydrophobicContact CD2-CD1 3.53Å; L189-Y212 HydrophobicContact CD2-CD2 4.2Å; L189-Y212 HydrophobicContact CD2-CE1 3.53Å; L189-Y212 HydrophobicContact CD2-CE2 4.15Å; L189-Y212 HydrophobicContact CD2-CG 3.91Å; L189-Y212 WeakPolarHBondContact O-CB 3.13Å; L189-Y212 WeakPolarHBondContact O-CD2 3.46Å; R208-Y212 PolarHBondContact O-N 2.85Å; I209-Y212 WeakPolarHBondContact O-CB 3.32Å; I209-Y212 PolarHBondContact O-N 3.5Å; K210-Y212 PolarHBondContact O-N 3.23Å; Y212-E214 PolarHBondContact O-N 3.41Å; Y212-S215 WeakPolarHBondContact O-CB 3.37Å; Y212-S215 PolarHBondContact O-N 3.49Å; Y212-L216 PolarHBondContact O-N 3.01Å; Y212-P223 HydrophobicContact CD1-CB 4.44Å; Y212-P223 HydrophobicContact CD1-CG 4.21Å; Y212-P223 HydrophobicContact CD2-CG 3.85Å; Y212-P223 HydrophobicContact CE1-CB 4.47Å; Y212-P223 HydrophobicContact CE1-CG 3.89Å; Y212-P223 HydrophobicContact CE2-CG 3.55Å; Y212-P223 HydrophobicContact CG-CB 4.44Å; Y212-P223 HydrophobicContact CG-CG 4.17Å
213	S	92.6	Very high	93.4	Very high	35 Å²	35	46 Å²	46	25%	0.245	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-42.1	-177.7	-71.2	0	0	0	0	112.6	S121 I209 K210 L216 A217	S121-S213 PolarHBondContact O-OG 3.5Å; I209-S213 PolarHBondContact O-N 3.01Å; I209-S213 PolarHBondContact O-OG 3.41Å; K210-S213 PolarHBondContact O-N 2.88Å; K210-S213 VanDerWaalsContact O-N 3.08Å; S213-L216 PolarHBondContact O-N 3.05Å; S213-A217 WeakPolarHBondContact O-CB 3.25Å; S213-A217 PolarHBondContact O-N 3.14Å
214	E	92.8	Very high	93.5	Very high	103 Å²	103	44.5 Å²	44.5	48%	0.481	23%	0.232	S	C	.	.	H	α-helix	trans	-66.9	-39.6	176.8	-68.1	169.9	-171.5	0	0	111.8	N84 K210 Y212 A217 R218	N84-E214 VanDerWaalsContact ND2-C 3.31Å; N84-E214 WeakPolarHBondContact ND2-CB 3.39Å; N84-E214 PolarHBondContact ND2-O 2.83Å; K210-E214 WeakPolarHBondContact O-CB 3.33Å; K210-E214 VanDerWaalsContact O-CG 3.29Å; K210-E214 WeakPolarHBondContact O-CG 3.3Å; K210-E214 PolarHBondContact O-N 2.68Å; Y212-E214 PolarHBondContact O-N 3.41Å; E214-A217 PolarHBondContact O-N 3.43Å; E214-R218 PolarHBondContact O-N 2.97Å
215	S	94.4	Very high	93.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-42.3	175.5	-69.1	0	0	0	0	111.4	M82 N84 L211 Y212 P223	M82-S215 WeakPolarHBondContact CG-OG 3.34Å; M82-S215 VanDerWaalsContact SD-CB 3.58Å; M82-S215 PolarHBondContact SD-OG 3Å; N84-S215 WeakPolarHBondContact CB-OG 3.13Å; N84-S215 PolarHBondContact N-OG 3.34Å; L211-S215 WeakPolarHBondContact O-CB 3.46Å; L211-S215 PolarHBondContact O-N 3.06Å; L211-S215 PolarHBondContact O-OG 3.25Å; Y212-S215 WeakPolarHBondContact O-CB 3.37Å; Y212-S215 PolarHBondContact O-N 3.49Å; S215-P223 VanDerWaalsContact CB-CB 3.44Å
216	L	92.3	Very high	93.7	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-45.3	173.8	176.8	67.2	0	0	0	111.2	S121 T122 Y212 S213 R218 Y219 G220 K221 S222 P223	S121-L216 WeakPolarHBondContact OG-CD2 3.49Å; T122-L216 HydrophobicContact CG2-CD2 4.3Å; Y212-L216 PolarHBondContact O-N 3.01Å; S213-L216 PolarHBondContact O-N 3.05Å; L216-R218 PolarHBondContact O-N 3.32Å; L216-R218 VanDerWaalsContact O-N 3.13Å; L216-Y219 PolarHBondContact O-N 2.89Å; L216-G220 WeakPolarHBondContact O-CA 3.44Å; L216-G220 PolarHBondContact O-N 3.39Å; L216-K221 VanDerWaalsContact CD1-C 3.48Å; L216-S222 VanDerWaalsContact CD1-CA 3.47Å; L216-P223 HydrophobicContact CB-CB 4.3Å
217	A	90.6	Very high	93.7	Very high	86 Å²	86	40.9 Å²	40.9	71%	0.711	21%	0.213	S	C	*	.	H	α-helix	trans	-58.4	-28.7	-177.6	0	0	0	0	0	112.5	S213 E214	S213-A217 WeakPolarHBondContact O-CB 3.25Å; S213-A217 PolarHBondContact O-N 3.14Å; E214-A217 PolarHBondContact O-N 3.43Å
218	R	89.1	Confident	93.8	Very high	137 Å²	137	39.5 Å²	39.5	52%	0.517	21%	0.205	S	C	.	.	H	α-helix	trans	-65.4	-35.8	176.2	-175.9	172.6	-79	-177	-1.9	113.6	A83 N84 E214 L216	A83-R218 PolarHBondContact O-NH1 3.45Å; N84-R218 PolarHBondContact OD1-NE 3.07Å; N84-R218 VanDerWaalsContact OD1-NE 3.09Å; N84-R218 PolarHBondContact OD1-NH1 3.3Å; N84-R218 PolarHBondContact OD1-NH2 3.17Å; E214-R218 PolarHBondContact O-N 2.97Å; L216-R218 PolarHBondContact O-N 3.32Å; L216-R218 VanDerWaalsContact O-N 3.13Å
219	Y	88.9	Confident	93.9	Very high	96 Å²	96	41.4 Å²	41.4	38%	0.376	21%	0.214	S	C	.	.	H	α-helix	trans	-127	-10.4	-170.1	-62.3	-63.8	0	0	0	115.6	A83 V104 L216 K221 L225	A83-Y219 HydrophobicContact CB-CD2 3.65Å; A83-Y219 HydrophobicContact CB-CE2 3.4Å; A83-Y219 VanDerWaalsContact CB-CE2 3.4Å; V104-Y219 HydrophobicContact CG1-CG 4.34Å; V104-Y219 HydrophobicContact CG2-CD1 3.51Å; V104-Y219 HydrophobicContact CG2-CD2 4.09Å; V104-Y219 HydrophobicContact CG2-CE1 4.15Å; V104-Y219 HydrophobicContact CG2-CG 3.48Å; V104-Y219 VanDerWaalsContact CG2-CG 3.48Å; L216-Y219 PolarHBondContact O-N 2.89Å; Y219-K221 PolarHBondContact O-N 3.13Å; Y219-L225 HydrophobicContact CD2-CD2 4.05Å; Y219-L225 HydrophobicContact CE2-CD1 3.97Å; Y219-L225 HydrophobicContact CE2-CD2 3.63Å; Y219-L225 HydrophobicContact CE2-CG 4.01Å
220	G	85.2	Confident	94	Very high	54 Å²	54	41.4 Å²	41.4	56%	0.557	21%	0.214	S	C	*	.	S	Bend	trans	74.3	-17.4	170.3	0	0	0	0	0	117.4	L216	L216-G220 WeakPolarHBondContact O-CA 3.44Å; L216-G220 PolarHBondContact O-N 3.39Å
221	K	89	Confident	94.1	Very high	103 Å²	103	39.9 Å²	39.9	45%	0.448	21%	0.207	S	C	.	.	S	Bend	trans	-97	-59.6	-177.7	-65.8	-170.2	179.9	-173.8	0	113.3	V104 E106 L216 Y219	V104-K221 HydrophobicContact CG1-CB 4.11Å; E106-K221 HydrophobicContact CB-CD 4.47Å; E106-K221 HydrophobicContact CG-CD 4.25Å; E106-K221 IonicContact OE1-NZ 2.64Å; L216-K221 VanDerWaalsContact CD1-C 3.48Å; Y219-K221 PolarHBondContact O-N 3.13Å
222	S	94.9	Very high	94.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.			trans	-146.1	166.9	173.9	83.5	0	0	0	0	108.3	I105 L216 Y224	I105-S222 WeakPolarHBondContact CB-OG 3.47Å; I105-S222 WeakPolarHBondContact O-CB 3.22Å; I105-S222 PolarHBondContact O-OG 3.35Å; L216-S222 VanDerWaalsContact CD1-CA 3.47Å; S222-Y224 PolarHBondContact O-N 2.89Å; S222-Y224 PolarHBondContact OG-N 2.93Å
223	P	95.9	Very high	94.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-81.8	8.6	177.5	38.8	-41.3	0	0	0	113.2	M82 A83 Y212 S215 L216	M82-P223 HydrophobicContact SD-CB 3.66Å; M82-P223 HydrophobicContact SD-CG 4.16Å; A83-P223 WeakPolarHBondContact CB-O 3.37Å; A83-P223 PolarHBondContact N-O 2.91Å; Y212-P223 HydrophobicContact CD1-CB 4.44Å; Y212-P223 HydrophobicContact CD1-CG 4.21Å; Y212-P223 HydrophobicContact CD2-CG 3.85Å; Y212-P223 HydrophobicContact CE1-CB 4.47Å; Y212-P223 HydrophobicContact CE1-CG 3.89Å; Y212-P223 HydrophobicContact CE2-CG 3.55Å; Y212-P223 HydrophobicContact CG-CB 4.44Å; Y212-P223 HydrophobicContact CG-CG 4.17Å; S215-P223 VanDerWaalsContact CB-CB 3.44Å; L216-P223 HydrophobicContact CB-CB 4.3Å
224	Y	97.7	Very high	94.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.7	-166.9	-59.9	-60.1	0	0	0	112.8	F80 L81 M82 I105 L191 S222 Q318	F80-Y224 HydrophobicContact CB-CD1 3.84Å; F80-Y224 HydrophobicContact CB-CG 3.99Å; F80-Y224 HydrophobicContact CD2-CD2 4.43Å; F80-Y224 HydrophobicContact CD2-CG 4.18Å; F80-Y224 HydrophobicContact CG-CG 4.4Å; L81-Y224 CarbonylContact O-C 3.58Å; L81-Y224 WeakPolarHBondContact O-CA 3.28Å; M82-Y224 HydrophobicContact CE-CE1 3.82Å; M82-Y224 HydrophobicContact SD-CE1 4.48Å; I105-Y224 PolarHBondContact N-O 2.92Å; L191-Y224 HydrophobicContact CD1-CE1 4.29Å; L191-Y224 WeakPolarHBondContact CD2-OH 3.47Å; S222-Y224 PolarHBondContact O-N 2.89Å; S222-Y224 PolarHBondContact OG-N 2.93Å; Y224-Q318 HydrophobicContact CD2-CB 4.15Å; Y224-Q318 HydrophobicContact CE2-CB 3.93Å; Y224-Q318 HydrophobicContact CE2-CG 4.17Å; Y224-Q318 VanDerWaalsContact CE2-NE2 3.31Å; Y224-Q318 PolarHBondContact OH-NE2 3.3Å
225	L	97.9	Very high	94.1	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.037	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	152.2	171.2	-62.8	176.5	0	0	0	110.1	L81 A83 V88 F102 K103 V104 Y219	L81-L225 HydrophobicContact CB-CB 4.25Å; L81-L225 WeakPolarHBondContact CD1-O 3.13Å; L81-L225 PolarHBondContact N-O 3.46Å; L81-L225 PolarHBondContact O-N 2.92Å; A83-L225 HydrophobicContact CB-CD1 4.4Å; A83-L225 HydrophobicContact CB-CG 4.35Å; V88-L225 HydrophobicContact CG2-CD1 4.44Å; F102-L225 HydrophobicContact CB-CB 4.45Å; F102-L225 HydrophobicContact CD1-CB 4.22Å; K103-L225 WeakPolarHBondContact O-CA 3.42Å; V104-L225 HydrophobicContact CB-CD2 4.39Å; V104-L225 HydrophobicContact CG2-CD2 3.74Å; Y219-L225 HydrophobicContact CD2-CD2 4.05Å; Y219-L225 HydrophobicContact CE2-CD1 3.97Å; Y219-L225 HydrophobicContact CE2-CD2 3.63Å; Y219-L225 HydrophobicContact CE2-CG 4.01Å
226	Y	98.1	Very high	93.8	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	138	171.9	-172.6	-99.6	0	0	0	109.8	D75 F80 K103 I105 G230 L231 I337 H341 V343	D75-Y226 VanDerWaalsContact CG-OH 3.31Å; D75-Y226 PolarHBondContact OD2-OH 3.32Å; F80-Y226 AromaticContact CD1-CD2 3.71Å; F80-Y226 HydrophobicContact CD1-CD2 3.71Å; F80-Y226 HydrophobicContact CD1-CG 4.14Å; F80-Y226 AromaticContact CE1-CD2 3.9Å; F80-Y226 HydrophobicContact CE1-CD2 3.9Å; F80-Y226 HydrophobicContact CE1-CG 4.15Å; K103-Y226 PolarHBondContact N-O 2.91Å; K103-Y226 PolarHBondContact O-N 3.47Å; I105-Y226 HydrophobicContact CD1-CG 4.47Å; Y226-G230 WeakPolarHBondContact OH-CA 3.44Å; Y226-L231 HydrophobicContact CD2-CD2 4.25Å; Y226-L231 HydrophobicContact CD2-CG 4.46Å; Y226-L231 HydrophobicContact CE2-CD1 4.25Å; Y226-L231 HydrophobicContact CE2-CD2 4Å; Y226-L231 HydrophobicContact CE2-CG 3.72Å; Y226-I337 HydrophobicContact CD1-CG2 3.87Å; Y226-I337 HydrophobicContact CE1-CB 4.36Å; Y226-I337 HydrophobicContact CE1-CG1 4.22Å; Y226-I337 HydrophobicContact CE1-CG2 3.94Å; Y226-I337 HydrophobicContact CG-CG2 4.21Å; Y226-H341 HydrophobicContact CD1-CB 4.29Å; Y226-H341 AromaticContact CD1-CD2 3.83Å; Y226-H341 HydrophobicContact CE1-CB 4.47Å; Y226-V343 HydrophobicContact CE1-CG1 4.06Å
227	P	97.8	Very high	93.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	142.6	-179.6	27.5	-34.6	0	0	0	111.4	D101 F102 G230 L231	D101-P227 CarbonylContact O-C 3.56Å; D101-P227 WeakPolarHBondContact O-CA 3.29Å; F102-P227 HydrophobicContact CD1-CB 4.28Å; F102-P227 HydrophobicContact CE1-CB 4.09Å; F102-P227 HydrophobicContact CE1-CG 4.47Å; P227-G230 VanDerWaalsContact CG-O 3.24Å; P227-G230 WeakPolarHBondContact CG-O 3.32Å; P227-G230 PolarHBondContact O-N 2.96Å; P227-L231 HydrophobicContact CG-CD2 3.93Å
228	L	98.1	Very high	93.9	Very high	39 Å²	39	34 Å²	34	20%	0.204	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	143.7	162.3	-62.7	-176.2	0	0	0	108.6	D101 K103 G230 H341	D101-L228 HydrophobicContact CB-CB 4.36Å; D101-L228 HydrophobicContact CB-CD1 3.76Å; D101-L228 HydrophobicContact CB-CG 4.11Å; D101-L228 PolarHBondContact O-N 2.78Å; K103-L228 HydrophobicContact CB-CD2 3.96Å; K103-L228 HydrophobicContact CD-CD2 4.17Å; L228-G230 PolarHBondContact O-N 3.32Å; L228-H341 CarbonylContact C-O 3.59Å; L228-H341 WeakPolarHBondContact CA-O 3.2Å
229	Y	97.8	Very high	93.8	Very high	114 Å²	114	27.9 Å²	27.9	45%	0.447	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	7.4	-174.7	-47.1	-80.4	0	0	0	115.5	N73 H341 N342	N73-Y229 VanDerWaalsContact CB-O 3.25Å; N73-Y229 WeakPolarHBondContact CB-O 3.46Å; Y229-H341 PolarHBondContact N-O 3Å; Y229-N342 HydrophobicContact CD1-CB 3.47Å; Y229-N342 VanDerWaalsContact CD1-CB 3.47Å; Y229-N342 HydrophobicContact CE1-CB 3.45Å; Y229-N342 VanDerWaalsContact CE1-CB 3.45Å; Y229-N342 WeakPolarHBondContact CE1-ND2 3.37Å; Y229-N342 HydrophobicContact CG-CB 4.12Å; Y229-N342 PolarHBondContact OH-ND2 3.4Å
230	G	97.1	Very high	93.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.			trans	87.9	177.6	171.4	0	0	0	0	0	114.1	Y226 P227 L228 G232 E233	Y226-G230 WeakPolarHBondContact OH-CA 3.44Å; P227-G230 VanDerWaalsContact CG-O 3.24Å; P227-G230 WeakPolarHBondContact CG-O 3.32Å; P227-G230 PolarHBondContact O-N 2.96Å; L228-G230 PolarHBondContact O-N 3.32Å; G230-G232 PolarHBondContact O-N 3.33Å; G230-E233 PolarHBondContact O-N 3.2Å
231	L	96.4	Very high	94	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.047	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.6	-172.8	-65.6	172.2	0	0	0	113.4	D75 V77 K79 L81 Y226 P227 E233 L234 P235 F410	D75-L231 PolarHBondContact OD1-N 3.41Å; D75-L231 VanDerWaalsContact OD1-N 3.13Å; D75-L231 VanDerWaalsContact OD2-CB 3.26Å; D75-L231 WeakPolarHBondContact OD2-CB 3.48Å; D75-L231 WeakPolarHBondContact OD2-CD1 3.41Å; D75-L231 WeakPolarHBondContact OD2-CG 3.43Å; D75-L231 PolarHBondContact OD2-N 3.39Å; V77-L231 WeakPolarHBondContact O-CD1 3.37Å; K79-L231 HydrophobicContact CB-CD1 4.41Å; L81-L231 HydrophobicContact CD1-CD2 4.4Å; Y226-L231 HydrophobicContact CD2-CD2 4.25Å; Y226-L231 HydrophobicContact CD2-CG 4.46Å; Y226-L231 HydrophobicContact CE2-CD1 4.25Å; Y226-L231 HydrophobicContact CE2-CD2 4Å; Y226-L231 HydrophobicContact CE2-CG 3.72Å; P227-L231 HydrophobicContact CG-CD2 3.93Å; L231-E233 PolarHBondContact O-N 2.81Å; L231-E233 VanDerWaalsContact O-N 3.14Å; L231-L234 HydrophobicContact CB-CD1 4.46Å; L231-L234 HydrophobicContact CD2-CD1 3.57Å; L231-L234 WeakPolarHBondContact O-CB 3.42Å; L231-L234 PolarHBondContact O-N 3.45Å; L231-P235 WeakPolarHBondContact O-CD 3.45Å; L231-F410 HydrophobicContact CD1-CE2 4.28Å; L231-F410 HydrophobicContact CD1-CZ 3.76Å; L231-F410 HydrophobicContact CD2-CE2 3.74Å; L231-F410 HydrophobicContact CD2-CZ 3.78Å; L231-F410 HydrophobicContact CG-CZ 4.4Å
232	G	94.4	Very high	93.8	Very high	6 Å²	6	23.2 Å²	23.2	6%	0.062	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23	173.8	0	0	0	0	0	113.7	G230 L234 Q236	G230-G232 PolarHBondContact O-N 3.33Å; G232-L234 VanDerWaalsContact C-N 3.31Å; G232-L234 PolarHBondContact O-N 3.01Å; G232-Q236 WeakPolarHBondContact O-CG 3.35Å; G232-Q236 PolarHBondContact O-NE2 2.9Å
233	E	94.9	Very high	93.3	Very high	50 Å²	50	26.1 Å²	26.1	23%	0.234	13%	0.128	C	C	.	.	H	α-helix	trans	-69.5	-28.3	175.4	-65.5	-60.2	95.2	0	0	112.6	L100 G230 L231 Q236 G237	L100-E233 HydrophobicContact CD2-CB 3.62Å; L100-E233 WeakPolarHBondContact CD2-O 3.47Å; G230-E233 PolarHBondContact O-N 3.2Å; L231-E233 PolarHBondContact O-N 2.81Å; L231-E233 VanDerWaalsContact O-N 3.14Å; E233-Q236 PolarHBondContact O-N 3.47Å; E233-Q236 PolarHBondContact OE1-NE2 3.27Å; E233-G237 PolarHBondContact O-N 3.02Å
234	L	93.6	Very high	92.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-64.9	-55.1	-178.6	-71.3	162.7	0	0	0	111.7	L14 L91 L100 F102 L231 G232 Q236 G237 F238	L14-L234 HydrophobicContact CD1-CB 3.54Å; L14-L234 HydrophobicContact CD1-CD1 3.9Å; L14-L234 HydrophobicContact CD1-CG 4.22Å; L14-L234 HydrophobicContact CD2-CD1 4.08Å; L91-L234 HydrophobicContact CD1-CD2 3.88Å; L91-L234 HydrophobicContact CD2-CD2 3.91Å; L100-L234 HydrophobicContact CD1-CD2 3.57Å; F102-L234 HydrophobicContact CZ-CD2 4.33Å; L231-L234 HydrophobicContact CB-CD1 4.46Å; L231-L234 HydrophobicContact CD2-CD1 3.57Å; L231-L234 WeakPolarHBondContact O-CB 3.42Å; L231-L234 PolarHBondContact O-N 3.45Å; G232-L234 VanDerWaalsContact C-N 3.31Å; G232-L234 PolarHBondContact O-N 3.01Å; L234-Q236 VanDerWaalsContact C-N 3.27Å; L234-Q236 PolarHBondContact O-N 3.28Å; L234-G237 PolarHBondContact O-N 3.06Å; L234-F238 VanDerWaalsContact O-CD2 3.29Å; L234-F238 WeakPolarHBondContact O-CD2 3.45Å; L234-F238 PolarHBondContact O-N 2.89Å
235	P	91.7	Very high	92.2	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-53.8	-40.6	172.9	-29.6	36.3	0	0	0	113.9	Y39 L231 F238 A239	Y39-P235 HydrophobicContact CD1-CB 4.34Å; Y39-P235 HydrophobicContact CG-CB 4.4Å; L231-P235 WeakPolarHBondContact O-CD 3.45Å; P235-F238 PolarHBondContact O-N 2.78Å; P235-A239 WeakPolarHBondContact O-CB 3.43Å; P235-A239 PolarHBondContact O-N 3.06Å
236	Q	89.3	Confident	91.4	Very high	88 Å²	88	35.8 Å²	35.8	41%	0.411	19%	0.188	S	C	.	.	H	α-helix	trans	-64.9	-44.6	179.1	-69.1	176.3	63	0	0	112	Y39 G232 E233 L234 F238 A239 R240	Y39-Q236 HydrophobicContact CD2-CG 3.83Å; Y39-Q236 HydrophobicContact CE2-CG 4.27Å; Y39-Q236 HydrophobicContact CG-CG 4.4Å; G232-Q236 WeakPolarHBondContact O-CG 3.35Å; G232-Q236 PolarHBondContact O-NE2 2.9Å; E233-Q236 PolarHBondContact O-N 3.47Å; E233-Q236 PolarHBondContact OE1-NE2 3.27Å; L234-Q236 VanDerWaalsContact C-N 3.27Å; L234-Q236 PolarHBondContact O-N 3.28Å; Q236-F238 VanDerWaalsContact C-N 3.29Å; Q236-F238 PolarHBondContact O-N 3.39Å; Q236-A239 PolarHBondContact O-N 2.91Å; Q236-R240 PolarHBondContact O-N 3.3Å
237	G	92.3	Very high	90.8	Very high	4 Å²	4	36.1 Å²	36.1	4%	0.041	19%	0.192	C	C	.	.	H	α-helix	trans	-58.6	-42.6	174.6	0	0	0	0	0	111.6	V96 E233 L234 R240 L241	V96-G237 WeakPolarHBondContact CG2-O 3.31Å; E233-G237 PolarHBondContact O-N 3.02Å; L234-G237 PolarHBondContact O-N 3.06Å; G237-R240 PolarHBondContact O-N 2.99Å; G237-L241 WeakPolarHBondContact O-CB 3.49Å; G237-L241 PolarHBondContact O-N 2.93Å
238	F	91.2	Very high	90.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.2	-37	176.4	-84.9	-69.9	0	0	0	113.4	C17 I18 L91 T94 V96 L234 P235 Q236 R240 L241 S242	C17-F238 HydrophobicContact CB-CB 3.76Å; C17-F238 HydrophobicContact CB-CD2 4.2Å; C17-F238 HydrophobicContact CB-CG 4.13Å; C17-F238 WeakPolarHBondContact O-CD1 3.26Å; C17-F238 WeakPolarHBondContact O-CG 3.5Å; I18-F238 HydrophobicContact CB-CE2 4.36Å; I18-F238 HydrophobicContact CB-CZ 4.13Å; I18-F238 HydrophobicContact CD1-CE2 4.38Å; I18-F238 HydrophobicContact CG1-CD2 4.1Å; I18-F238 HydrophobicContact CG1-CE1 4.28Å; I18-F238 HydrophobicContact CG1-CE2 3.35Å; I18-F238 HydrophobicContact CG1-CZ 3.46Å; I18-F238 VanDerWaalsContact CG1-CZ 3.46Å; I18-F238 HydrophobicContact CG2-CZ 4.47Å; L91-F238 HydrophobicContact CD2-CE2 3.53Å; L91-F238 HydrophobicContact CD2-CZ 3.66Å; T94-F238 HydrophobicContact CG2-CE1 4.09Å; V96-F238 HydrophobicContact CB-CE1 4.42Å; V96-F238 HydrophobicContact CB-CZ 4.39Å; V96-F238 HydrophobicContact CG1-CE1 4.32Å; V96-F238 HydrophobicContact CG1-CE2 4.03Å; V96-F238 HydrophobicContact CG1-CZ 3.83Å; V96-F238 HydrophobicContact CG2-CD1 4.49Å; V96-F238 HydrophobicContact CG2-CD2 4.3Å; V96-F238 HydrophobicContact CG2-CE2 4.45Å; V96-F238 HydrophobicContact CG2-CG 4.32Å; L234-F238 VanDerWaalsContact O-CD2 3.29Å; L234-F238 WeakPolarHBondContact O-CD2 3.45Å; L234-F238 PolarHBondContact O-N 2.89Å; P235-F238 PolarHBondContact O-N 2.78Å; Q236-F238 VanDerWaalsContact C-N 3.29Å; Q236-F238 PolarHBondContact O-N 3.39Å; F238-R240 VanDerWaalsContact C-N 3.32Å; F238-R240 PolarHBondContact O-N 2.98Å; F238-L241 HydrophobicContact CD1-CD2 4.09Å; F238-L241 HydrophobicContact CE1-CD2 4.22Å; F238-L241 PolarHBondContact O-N 3.08Å; F238-S242 WeakPolarHBondContact O-CB 3.27Å; F238-S242 PolarHBondContact O-N 3.16Å
239	A	88.1	Confident	90.2	Very high	9 Å²	9	38.5 Å²	38.5	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-44.6	172.8	0	0	0	0	0	111.2	Y39 P235 Q236 S242 A243 Y249	Y39-A239 HydrophobicContact CE1-CB 3.94Å; P235-A239 WeakPolarHBondContact O-CB 3.43Å; P235-A239 PolarHBondContact O-N 3.06Å; Q236-A239 PolarHBondContact O-N 2.91Å; A239-S242 PolarHBondContact O-N 3.35Å; A239-A243 PolarHBondContact O-N 2.59Å; A239-Y249 HydrophobicContact CB-CD1 3.58Å; A239-Y249 HydrophobicContact CB-CD2 4.22Å; A239-Y249 HydrophobicContact CB-CE1 3.6Å; A239-Y249 HydrophobicContact CB-CE2 4.31Å; A239-Y249 HydrophobicContact CB-CG 3.85Å
240	R	88.9	Confident	90	Very high	152 Å²	152	35.2 Å²	35.2	57%	0.574	19%	0.193	S	C	*	.	H	α-helix	trans	-62.6	-44.3	174.5	-175.7	174.9	-177.4	175.4	0.8	112.1	Y99 Q236 G237 F238 A243 I244	Y99-R240 HydrophobicContact CE1-CG 4.42Å; Y99-R240 VanDerWaalsContact CE1-CZ 3.41Å; Y99-R240 HydrophobicContact CE2-CB 4.43Å; Y99-R240 HydrophobicContact CE2-CG 4.14Å; Q236-R240 PolarHBondContact O-N 3.3Å; G237-R240 PolarHBondContact O-N 2.99Å; F238-R240 VanDerWaalsContact C-N 3.32Å; F238-R240 PolarHBondContact O-N 2.98Å; R240-A243 PolarHBondContact O-N 2.7Å; R240-I244 WeakPolarHBondContact O-CG1 3.35Å; R240-I244 PolarHBondContact O-N 3.36Å
241	L	88.1	Confident	89.9	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-59.6	-49.6	176.9	-179.2	69.5	0	0	0	110.9	V25 T94 G237 F238 A243 I244 F245 F442	V25-L241 HydrophobicContact CG2-CD2 4.38Å; T94-L241 HydrophobicContact CG2-CD2 4.47Å; T94-L241 WeakPolarHBondContact O-CD1 3.39Å; T94-L241 VanDerWaalsContact O-CD2 3.32Å; T94-L241 WeakPolarHBondContact O-CD2 3.38Å; G237-L241 WeakPolarHBondContact O-CB 3.49Å; G237-L241 PolarHBondContact O-N 2.93Å; F238-L241 HydrophobicContact CD1-CD2 4.09Å; F238-L241 HydrophobicContact CE1-CD2 4.22Å; F238-L241 PolarHBondContact O-N 3.08Å; L241-A243 VanDerWaalsContact C-N 3.27Å; L241-A243 PolarHBondContact O-N 2.94Å; L241-I244 WeakPolarHBondContact O-CB 3.36Å; L241-I244 PolarHBondContact O-N 3.26Å; L241-I244 VanDerWaalsContact O-N 3.12Å; L241-F245 HydrophobicContact CD1-CD2 4.19Å; L241-F245 HydrophobicContact CD1-CE2 3.75Å; L241-F245 HydrophobicContact CG-CD2 4.36Å; L241-F245 HydrophobicContact CG-CE2 4.35Å; L241-F245 WeakPolarHBondContact O-CD2 3.44Å; L241-F245 PolarHBondContact O-N 3.28Å; L241-F442 HydrophobicContact CD1-CZ 4.4Å
242	S	84.7	Confident	89.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-39.3	179.7	-174.1	0	0	0	0	112	S24 F238 A239 I244 F245 G246 G247 Y249	S24-S242 PolarHBondContact OG-OG 3.35Å; F238-S242 WeakPolarHBondContact O-CB 3.27Å; F238-S242 PolarHBondContact O-N 3.16Å; A239-S242 PolarHBondContact O-N 3.35Å; S242-I244 VanDerWaalsContact C-N 3.31Å; S242-I244 PolarHBondContact O-N 3.06Å; S242-F245 CarbonylContact O-C 3.41Å; S242-F245 PolarHBondContact O-N 2.96Å; S242-F245 VanDerWaalsContact O-N 3.13Å; S242-G246 PolarHBondContact O-N 3.45Å; S242-G247 WeakPolarHBondContact O-CA 3.21Å; S242-G247 PolarHBondContact O-N 3.5Å; S242-Y249 WeakPolarHBondContact OG-CE2 3.48Å
243	A	84.8	Confident	90	Very high	62 Å²	62	43 Å²	43	51%	0.512	23%	0.232	S	C	.	.	H	α-helix	trans	-61.8	-36.2	176.9	0	0	0	0	0	112.9	A239 R240 L241 F245 G246 G247	A239-A243 PolarHBondContact O-N 2.59Å; R240-A243 PolarHBondContact O-N 2.7Å; L241-A243 VanDerWaalsContact C-N 3.27Å; L241-A243 PolarHBondContact O-N 2.94Å; A243-F245 PolarHBondContact O-N 2.64Å; A243-G246 PolarHBondContact O-N 2.77Å; A243-G246 VanDerWaalsContact O-N 3.1Å; A243-G247 WeakPolarHBondContact CA-O 3.38Å
244	I	86.3	Confident	90	Very high	99 Å²	99	43.6 Å²	43.6	51%	0.508	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-33.6	176	-68.3	165.8	0	0	0	111.5	Y99 R240 L241 S242 G246	Y99-I244 WeakPolarHBondContact OH-CD1 3.32Å; R240-I244 WeakPolarHBondContact O-CG1 3.35Å; R240-I244 PolarHBondContact O-N 3.36Å; L241-I244 WeakPolarHBondContact O-CB 3.36Å; L241-I244 PolarHBondContact O-N 3.26Å; L241-I244 VanDerWaalsContact O-N 3.12Å; S242-I244 VanDerWaalsContact C-N 3.31Å; S242-I244 PolarHBondContact O-N 3.06Å; I244-G246 VanDerWaalsContact C-N 3.3Å
245	F	84.6	Confident	90.2	Very high	59 Å²	59	45.4 Å²	45.4	26%	0.259	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	12.8	177.8	-72.9	-77.2	0	0	0	113.6	V25 L241 S242 A243 G247 I441 F442	V25-F245 HydrophobicContact CG2-CD2 4.32Å; V25-F245 HydrophobicContact CG2-CE2 3.93Å; V25-F245 HydrophobicContact CG2-CZ 4.25Å; L241-F245 HydrophobicContact CD1-CD2 4.19Å; L241-F245 HydrophobicContact CD1-CE2 3.75Å; L241-F245 HydrophobicContact CG-CD2 4.36Å; L241-F245 HydrophobicContact CG-CE2 4.35Å; L241-F245 WeakPolarHBondContact O-CD2 3.44Å; L241-F245 PolarHBondContact O-N 3.28Å; S242-F245 CarbonylContact O-C 3.41Å; S242-F245 PolarHBondContact O-N 2.96Å; S242-F245 VanDerWaalsContact O-N 3.13Å; A243-F245 PolarHBondContact O-N 2.64Å; F245-G247 VanDerWaalsContact C-N 3.31Å; F245-G247 PolarHBondContact O-N 3.19Å; F245-I441 HydrophobicContact CE1-CG2 3.4Å; F245-I441 HydrophobicContact CZ-CG2 3.43Å; F245-I441 VanDerWaalsContact CZ-CG2 3.43Å; F245-F442 AromaticContact CE2-CE1 4Å; F245-F442 HydrophobicContact CE2-CE1 4Å; F245-F442 AromaticContact CE2-CZ 3.65Å; F245-F442 HydrophobicContact CE2-CZ 3.65Å; F245-F442 AromaticContact CZ-CE1 3.69Å; F245-F442 HydrophobicContact CZ-CE1 3.69Å; F245-F442 HydrophobicContact CZ-CE2 4.14Å; F245-F442 AromaticContact CZ-CZ 3.4Å; F245-F442 HydrophobicContact CZ-CZ 3.4Å; F245-F442 VanDerWaalsContact CZ-CZ 3.4Å
246	G	81.9	Confident	90.4	Very high	51 Å²	51	50 Å²	50	53%	0.526	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	14.2	178.5	0	0	0	0	0	114.5	S242 A243 I244	S242-G246 PolarHBondContact O-N 3.45Å; A243-G246 PolarHBondContact O-N 2.77Å; A243-G246 VanDerWaalsContact O-N 3.1Å; I244-G246 VanDerWaalsContact C-N 3.3Å
247	G	85.2	Confident	90.8	Very high	8 Å²	8	50.8 Å²	50.8	8%	0.082	27%	0.274	C	S	.	.			trans	-77.3	150.4	168.7	0	0	0	0	0	111.8	V30 S242 A243 F245	V30-G247 WeakPolarHBondContact O-CA 3.47Å; S242-G247 WeakPolarHBondContact O-CA 3.21Å; S242-G247 PolarHBondContact O-N 3.5Å; A243-G247 WeakPolarHBondContact CA-O 3.38Å; F245-G247 VanDerWaalsContact C-N 3.31Å; F245-G247 PolarHBondContact O-N 3.19Å
248	T	89.7	Confident	91.1	Very high	50 Å²	50	52 Å²	52	31%	0.307	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.5	-175.8	-55.7	0	0	0	0	110.1	V30 L31 H32 M250	V30-T248 PolarHBondContact O-N 3Å; L31-T248 HydrophobicContact CD1-CG2 4.18Å; H32-T248 PolarHBondContact N-O 3.25Å; T248-M250 HydrophobicContact CG2-CE 3.47Å; T248-M250 VanDerWaalsContact CG2-CE 3.47Å; T248-M250 HydrophobicContact CG2-CG 4.13Å
249	Y	93.1	Very high	91.4	Very high	40 Å²	40	52.9 Å²	52.9	16%	0.157	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.1	173.7	-90.8	-110.8	0	0	0	110.8	T12 S20 H32 Y39 A239 S242	T12-Y249 HydrophobicContact CG2-CD1 4.41Å; T12-Y249 HydrophobicContact CG2-CE1 4.25Å; S20-Y249 PolarHBondContact OG-OH 3.38Å; H32-Y249 HydrophobicContact CB-CD1 3.95Å; H32-Y249 HydrophobicContact CB-CD2 3.71Å; H32-Y249 HydrophobicContact CB-CE1 3.92Å; H32-Y249 HydrophobicContact CB-CE2 3.57Å; H32-Y249 HydrophobicContact CB-CG 3.92Å; H32-Y249 AromaticContact CD2-CE1 3.9Å; H32-Y249 AromaticContact CE1-CE1 3.73Å; H32-Y249 AromaticContact CE1-CZ 3.7Å; H32-Y249 PolarHBondContact CE1-OH 2.97Å; H32-Y249 AromaticContact CG-CD1 3.92Å; H32-Y249 AromaticContact CG-CE1 3.49Å; H32-Y249 VanDerWaalsContact CG-CE1 3.49Å; H32-Y249 AromaticContact CG-CE2 3.84Å; H32-Y249 AromaticContact CG-CZ 3.48Å; H32-Y249 VanDerWaalsContact CG-CZ 3.48Å; H32-Y249 AromaticContact ND1-CE1 3.38Å; H32-Y249 WeakPolarHBondContact ND1-CE1 3.35Å; H32-Y249 AromaticContact ND1-CE2 3.65Å; H32-Y249 AromaticContact ND1-CZ 3.04Å; H32-Y249 PolarHBondContact ND1-OH 3.49Å; H32-Y249 CarbonylContact O-C 3.54Å; H32-Y249 VanDerWaalsContact O-CA 3.28Å; H32-Y249 WeakPolarHBondContact O-CA 3.44Å; Y39-Y249 AromaticContact CE1-CD1 3.85Å; Y39-Y249 HydrophobicContact CE1-CD1 3.85Å; Y39-Y249 HydrophobicContact CE1-CE1 4.27Å; A239-Y249 HydrophobicContact CB-CD1 3.58Å; A239-Y249 HydrophobicContact CB-CD2 4.22Å; A239-Y249 HydrophobicContact CB-CE1 3.6Å; A239-Y249 HydrophobicContact CB-CE2 4.31Å; A239-Y249 HydrophobicContact CB-CG 3.85Å; S242-Y249 WeakPolarHBondContact OG-CE2 3.48Å
250	M	94.4	Very high	91.9	Very high	45 Å²	45	55.2 Å²	55.2	22%	0.222	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	110.9	178.6	-55.4	-170.1	179.3	0	0	110.9	M1 L31 H32 M33 D34 T248 K253	M1-M250 HydrophobicContact CE-CE 4.21Å; M1-M250 HydrophobicContact CE-SD 3.81Å; M1-M250 HydrophobicContact CG-CE 4.48Å; M1-M250 HydrophobicContact SD-CE 3.49Å; M1-M250 WeakPolarHBondContact SD-CE 3.46Å; M1-M250 HydrophobicContact SD-SD 3.62Å; M1-M250 VanDerWaalsContact SD-SD 3.62Å; L31-M250 HydrophobicContact CD1-CE 4.01Å; L31-M250 HydrophobicContact CD1-CG 4.33Å; L31-M250 HydrophobicContact CD1-SD 4.22Å; H32-M250 PolarHBondContact O-N 3.33Å; M33-M250 CarbonylContact C-O 3.49Å; M33-M250 VanDerWaalsContact CA-O 3.28Å; M33-M250 WeakPolarHBondContact CA-O 3.42Å; M33-M250 HydrophobicContact CG-CB 4.2Å; D34-M250 PolarHBondContact N-O 2.75Å; T248-M250 HydrophobicContact CG2-CE 3.47Å; T248-M250 VanDerWaalsContact CG2-CE 3.47Å; T248-M250 HydrophobicContact CG2-CG 4.13Å; M250-K253 HydrophobicContact CB-CB 4.2Å; M250-K253 HydrophobicContact CB-CG 4.4Å
251	L	95.3	Very high	92.3	Very high	49 Å²	49	52.4 Å²	52.4	26%	0.257	29%	0.289	S	S	.	.	S	Bend	trans	-88.5	167.3	169.7	-63.7	-177.4	0	0	0	110.8	T12 D34 Y39 K253	T12-L251 HydrophobicContact CG2-CD2 4.11Å; D34-L251 HydrophobicContact CB-CD2 3.61Å; D34-L251 CarbonylContact O-C 3.57Å; Y39-L251 HydrophobicContact CD1-CD1 4.4Å; Y39-L251 HydrophobicContact CD1-CD2 3.97Å; Y39-L251 HydrophobicContact CD2-CD1 3.96Å; Y39-L251 HydrophobicContact CE1-CD1 4.15Å; Y39-L251 HydrophobicContact CE1-CD2 3.87Å; Y39-L251 HydrophobicContact CE1-CG 4.18Å; Y39-L251 HydrophobicContact CE2-CD1 3.67Å; Y39-L251 HydrophobicContact CG-CD1 4.31Å; Y39-L251 HydrophobicContact CG-CD2 4.49Å; L251-K253 PolarHBondContact O-N 3.05Å
252	N	95.9	Very high	92.6	Very high	109 Å²	109	60.7 Å²	60.7	58%	0.583	33%	0.333	S	S	*	.	S	Bend	trans	53.1	36.2	-180	-166.8	50.6	0	0	0	112.1	D34 N36 P254	D34-N252 PolarHBondContact O-N 2.8Å; D34-N252 VanDerWaalsContact O-N 3.16Å; N36-N252 PolarHBondContact O-N 3.12Å; N252-P254 WeakPolarHBondContact O-CD 3.46Å
253	K	95.9	Very high	93.1	Very high	21 Å²	21	63.2 Å²	63.2	9%	0.091	36%	0.359	C	S	.	.			trans	-111.4	99.3	-174.6	-163.9	71.1	-171.3	-174.1	0	109.4	M1 M33 D34 R35 M250 L251 S270 E271	M1-K253 HydrophobicContact CE-CD 4.5Å; M1-K253 VanDerWaalsContact CE-CE 3.44Å; M33-K253 HydrophobicContact SD-CG 4.11Å; D34-K253 PolarHBondContact O-N 3.33Å; R35-K253 WeakPolarHBondContact CA-O 3.29Å; M250-K253 HydrophobicContact CB-CB 4.2Å; M250-K253 HydrophobicContact CB-CG 4.4Å; L251-K253 PolarHBondContact O-N 3.05Å; K253-S270 WeakPolarHBondContact CE-OG 3.09Å; K253-S270 WeakPolarHBondContact CG-OG 3.32Å; K253-E271 IonicContact NZ-OE1 3.31Å; K253-E271 IonicContact NZ-OE2 2.7Å; K253-E271 PolarHBondContact NZ-OE2 2.98Å
254	P	95.9	Very high	93.7	Very high	62 Å²	62	64.7 Å²	64.7	40%	0.403	35%	0.354	S	S	.	.			trans	-68.4	137	-176.2	28.2	-34.2	0	0	0	110.6	N252 S270 E271	N252-P254 WeakPolarHBondContact O-CD 3.46Å; P254-S270 VanDerWaalsContact O-CB 3.25Å; P254-S270 WeakPolarHBondContact O-CB 3.27Å; P254-S270 PolarHBondContact O-OG 3.37Å; P254-E271 HydrophobicContact CG-CG 4.11Å
255	I	96.8	Very high	94.3	Very high	40 Å²	40	60 Å²	60	21%	0.205	33%	0.33	C	S	.	.			trans	-97.4	114.6	177.2	-54.2	-51.5	0	0	0	108.5	L10 M33 V268 Y286	L10-I255 HydrophobicContact CD1-CG1 4.47Å; L10-I255 HydrophobicContact CD1-CG2 4.33Å; L10-I255 HydrophobicContact CD2-CD1 3.91Å; L10-I255 HydrophobicContact CD2-CG1 4.14Å; M33-I255 HydrophobicContact CB-CD1 4.31Å; M33-I255 HydrophobicContact CE-CD1 4Å; M33-I255 HydrophobicContact SD-CD1 4.33Å; I255-V268 HydrophobicContact CD1-CG1 3.93Å; I255-V268 HydrophobicContact CG2-CG1 3.55Å; I255-Y286 HydrophobicContact CB-CD1 4.33Å; I255-Y286 HydrophobicContact CB-CE1 4.28Å; I255-Y286 HydrophobicContact CG1-CD1 4.03Å; I255-Y286 HydrophobicContact CG1-CE1 3.61Å
256	E	96.8	Very high	94.9	Very high	101 Å²	101	58.4 Å²	58.4	47%	0.472	33%	0.325	S	S	.	.			trans	-83.1	-42.9	-179.4	-66.4	175	-162.3	0	0	111.3	K269 E271 G272	E256-K269 HydrophobicContact CB-CB 4.49Å; E256-K269 HydrophobicContact CB-CD 4.48Å; E256-K269 HydrophobicContact CB-CG 4.45Å; E256-K269 PolarHBondContact N-O 2.97Å; E256-K269 WeakPolarHBondContact OE2-CD 3.37Å; E256-K269 WeakPolarHBondContact OE2-CE 3.48Å; E256-K269 IonicContact OE2-NZ 3.94Å; E256-K269 PolarHBondContact OE2-NZ 2.96Å; E256-E271 WeakPolarHBondContact OE1-CA 3.25Å; E256-E271 PolarHBondContact OE1-N 2.99Å; E256-G272 PolarHBondContact OE1-N 3.22Å
257	E	97.3	Very high	95.7	Very high	103 Å²	103	56 Å²	56	48%	0.481	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	138.7	-172.1	-172.8	-178.6	-177.4	0	0	111.2	K269	E257-K269 HydrophobicContact CB-CB 3.95Å; E257-K269 HydrophobicContact CB-CD 4.47Å; E257-K269 PolarHBondContact N-O 2.95Å; E257-K269 PolarHBondContact O-N 3.42Å
258	I	98.1	Very high	96.3	Very high	31 Å²	31	55.6 Å²	55.6	16%	0.159	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112.8	162.7	-65.1	166.4	0	0	0	106.9	L10 M260 V265 L280 V287 I398	L10-I258 HydrophobicContact CD1-CD1 4.27Å; L10-I258 HydrophobicContact CD1-CG1 4.33Å; I258-M260 HydrophobicContact CG2-SD 4.04Å; I258-V265 HydrophobicContact CG2-CG2 3.79Å; I258-L280 HydrophobicContact CB-CD2 4.5Å; I258-L280 HydrophobicContact CD1-CD2 3.82Å; I258-L280 HydrophobicContact CG1-CD2 4.01Å; I258-L280 HydrophobicContact CG2-CD2 3.66Å; I258-V287 HydrophobicContact CD1-CG1 3.39Å; I258-I398 HydrophobicContact CG2-CD1 4.21Å
259	V	97.8	Very high	96.7	Very high	17 Å²	17	56.1 Å²	56.1	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123	-171.8	-174.5	0	0	0	0	109.4	V266 G267 K269 I274	V259-V266 HydrophobicContact CB-CG2 4.04Å; V259-V266 HydrophobicContact CG1-CG2 3.58Å; V259-V266 WeakPolarHBondContact O-CG2 3.34Å; V259-V266 PolarHBondContact O-N 3.47Å; V259-G267 PolarHBondContact N-O 3.33Å; V259-K269 HydrophobicContact CG2-CB 4.33Å; V259-I274 HydrophobicContact CG2-CD1 4.36Å; V259-I274 HydrophobicContact CG2-CG2 4.22Å
260	M	97.8	Very high	96.8	Very high	59 Å²	59	54.4 Å²	54.4	29%	0.291	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134	-177.5	-57.5	-63.1	-75.6	0	0	111	I258 G263 K264 V265 I398	I258-M260 HydrophobicContact CG2-SD 4.04Å; M260-G263 VanDerWaalsContact CE-O 3.27Å; M260-G263 WeakPolarHBondContact CE-O 3.4Å; M260-K264 CarbonylContact C-O 3.43Å; M260-K264 WeakPolarHBondContact CA-O 3.25Å; M260-V265 VanDerWaalsContact SD-CA 3.53Å; M260-V265 HydrophobicContact SD-CB 3.84Å; M260-V265 HydrophobicContact SD-CG2 4.26Å; M260-I398 HydrophobicContact CE-CD1 3.82Å; M260-I398 HydrophobicContact SD-CD1 3.75Å
261	E	97.2	Very high	96.8	Very high	93 Å²	93	57.4 Å²	57.4	44%	0.435	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.6	170.5	-67.6	174.2	-160.5	0	0	108.6	G263 K264 V266 R276	E261-G263 PolarHBondContact O-N 3.19Å; E261-G263 VanDerWaalsContact O-N 3.17Å; E261-K264 PolarHBondContact N-O 2.89Å; E261-K264 PolarHBondContact O-N 3.13Å; E261-V266 HydrophobicContact CB-CG1 3.78Å; E261-V266 HydrophobicContact CB-CG2 4.27Å; E261-V266 HydrophobicContact CG-CB 4.48Å; E261-V266 HydrophobicContact CG-CG1 4.04Å; E261-V266 HydrophobicContact CG-CG2 3.71Å; E261-R276 IonicContact OE1-CZ 3.11Å; E261-R276 IonicContact OE1-NH1 2.74Å; E261-R276 PolarHBondContact OE1-NH1 2.95Å; E261-R276 IonicContact OE1-NH2 2.68Å
262	N	95.4	Very high	96.7	Very high	175 Å²	175	57.7 Å²	57.7	94%	0.936	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	37.7	-178.2	-57.1	-46.5	0	0	0	114.1	K264	N262-K264 VanDerWaalsContact C-N 3.26Å; N262-K264 PolarHBondContact O-N 3.46Å
263	G	94.9	Very high	96.7	Very high	54 Å²	54	56.2 Å²	56.2	56%	0.557	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	0.6	179.9	0	0	0	0	0	115.2	M260 E261 S396	M260-G263 VanDerWaalsContact CE-O 3.27Å; M260-G263 WeakPolarHBondContact CE-O 3.4Å; E261-G263 PolarHBondContact O-N 3.19Å; E261-G263 VanDerWaalsContact O-N 3.17Å; G263-S396 WeakPolarHBondContact O-CA 3.27Å
264	K	98.1	Very high	96.7	Very high	92 Å²	92	57.6 Å²	57.6	40%	0.4	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	145.1	179.6	177.4	171.3	165.9	164.1	0	111.5	M260 E261 N262 S396 Q397	M260-K264 CarbonylContact C-O 3.43Å; M260-K264 WeakPolarHBondContact CA-O 3.25Å; E261-K264 PolarHBondContact N-O 2.89Å; E261-K264 PolarHBondContact O-N 3.13Å; N262-K264 VanDerWaalsContact C-N 3.26Å; N262-K264 PolarHBondContact O-N 3.46Å; K264-S396 WeakPolarHBondContact CA-O 3.33Å; K264-Q397 HydrophobicContact CD-CG 3.89Å; K264-Q397 HydrophobicContact CG-CB 4.19Å; K264-Q397 HydrophobicContact CG-CG 4.03Å
265	V	98.3	Very high	96.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	137.4	174.8	69.8	0	0	0	0	111.1	I258 M260 L280 S396 Q397 I398	I258-V265 HydrophobicContact CG2-CG2 3.79Å; M260-V265 VanDerWaalsContact SD-CA 3.53Å; M260-V265 HydrophobicContact SD-CB 3.84Å; M260-V265 HydrophobicContact SD-CG2 4.26Å; V265-L280 HydrophobicContact CB-CB 4.5Å; V265-L280 HydrophobicContact CG1-CB 4Å; V265-L280 HydrophobicContact CG2-CB 4.07Å; V265-L280 HydrophobicContact CG2-CD2 4.18Å; V265-S396 PolarHBondContact N-O 2.84Å; V265-Q397 HydrophobicContact CG1-CB 3.96Å; V265-Q397 WeakPolarHBondContact CG1-O 3.34Å; V265-I398 HydrophobicContact CB-CD1 4.44Å; V265-I398 HydrophobicContact CB-CG1 3.92Å; V265-I398 HydrophobicContact CG1-CG1 4.19Å
266	V	98.1	Very high	96.8	Very high	25 Å²	25	57.8 Å²	57.8	15%	0.152	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	-8.4	175.8	-64.2	0	0	0	0	113.3	V259 E261 R276 C277	V259-V266 HydrophobicContact CB-CG2 4.04Å; V259-V266 HydrophobicContact CG1-CG2 3.58Å; V259-V266 WeakPolarHBondContact O-CG2 3.34Å; V259-V266 PolarHBondContact O-N 3.47Å; E261-V266 HydrophobicContact CB-CG1 3.78Å; E261-V266 HydrophobicContact CB-CG2 4.27Å; E261-V266 HydrophobicContact CG-CB 4.48Å; E261-V266 HydrophobicContact CG-CG1 4.04Å; E261-V266 HydrophobicContact CG-CG2 3.71Å; V266-R276 CarbonylContact O-C 3.54Å; V266-R276 VanDerWaalsContact O-CA 3.27Å; V266-R276 WeakPolarHBondContact O-CA 3.32Å; V266-R276 WeakPolarHBondContact O-CD 3.36Å; V266-C277 CarbonylContact C-O 3.53Å; V266-C277 PolarHBondContact O-N 3.02Å
267	G	97.7	Very high	96.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-178.7	177.3	0	0	0	0	0	113.9	V259 A275	V259-G267 PolarHBondContact N-O 3.33Å; G267-A275 CarbonylContact C-O 3.43Å; G267-A275 WeakPolarHBondContact CA-O 3.41Å
268	V	98.1	Very high	96.8	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.6	177.4	-179.8	0	0	0	0	108.8	I8 L10 M33 I255 A275 L280	I8-V268 HydrophobicContact CB-CG2 4.47Å; I8-V268 HydrophobicContact CD1-CB 4.21Å; I8-V268 HydrophobicContact CD1-CG2 4.09Å; I8-V268 HydrophobicContact CG2-CB 4.47Å; I8-V268 HydrophobicContact CG2-CG2 3.85Å; L10-V268 HydrophobicContact CD1-CG1 4.47Å; L10-V268 HydrophobicContact CD1-CG2 4.32Å; L10-V268 HydrophobicContact CD2-CG1 4.26Å; L10-V268 HydrophobicContact CD2-CG2 4.45Å; M33-V268 HydrophobicContact CE-CB 4.06Å; M33-V268 HydrophobicContact CE-CG1 3.87Å; I255-V268 HydrophobicContact CD1-CG1 3.93Å; I255-V268 HydrophobicContact CG2-CG1 3.55Å; V268-A275 PolarHBondContact N-O 3.14Å; V268-A275 PolarHBondContact O-N 3.16Å; V268-L280 HydrophobicContact CG2-CD1 3.85Å; V268-L280 HydrophobicContact CG2-CD2 4.5Å
269	K	97.1	Very high	96.9	Very high	60 Å²	60	53.4 Å²	53.4	26%	0.261	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131	176.7	-167.6	-175.5	176.9	-159.6	0	110.7	E256 E257 V259 E273 I274	E256-K269 HydrophobicContact CB-CB 4.49Å; E256-K269 HydrophobicContact CB-CD 4.48Å; E256-K269 HydrophobicContact CB-CG 4.45Å; E256-K269 PolarHBondContact N-O 2.97Å; E256-K269 WeakPolarHBondContact OE2-CD 3.37Å; E256-K269 WeakPolarHBondContact OE2-CE 3.48Å; E256-K269 IonicContact OE2-NZ 3.94Å; E256-K269 PolarHBondContact OE2-NZ 2.96Å; E257-K269 HydrophobicContact CB-CB 3.95Å; E257-K269 HydrophobicContact CB-CD 4.47Å; E257-K269 PolarHBondContact N-O 2.95Å; E257-K269 PolarHBondContact O-N 3.42Å; V259-K269 HydrophobicContact CG2-CB 4.33Å; K269-E273 CarbonylContact C-O 3.52Å; K269-E273 VanDerWaalsContact CA-O 3.25Å; K269-E273 WeakPolarHBondContact CA-O 3.34Å; K269-I274 HydrophobicContact CB-CG1 4.08Å; K269-I274 HydrophobicContact CD-CG1 4.49Å; K269-I274 HydrophobicContact CG-CG1 3.92Å
270	S	96.4	Very high	96.9	Very high	5 Å²	5	52.6 Å²	52.6	4%	0.035	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	129.1	177.6	-178.4	0	0	0	0	110.3	K253 P254 G272 E273	K253-S270 WeakPolarHBondContact CE-OG 3.09Å; K253-S270 WeakPolarHBondContact CG-OG 3.32Å; P254-S270 VanDerWaalsContact O-CB 3.25Å; P254-S270 WeakPolarHBondContact O-CB 3.27Å; P254-S270 PolarHBondContact O-OG 3.37Å; S270-G272 VanDerWaalsContact C-N 3.26Å; S270-G272 PolarHBondContact O-N 3.15Å; S270-E273 PolarHBondContact N-O 2.79Å; S270-E273 PolarHBondContact O-N 3.11Å
271	E	94.6	Very high	97	Very high	108 Å²	108	49.8 Å²	49.8	51%	0.505	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	43.1	-179.4	-62.9	174	-170	0	0	112.8	K253 P254 E256 E273	K253-E271 IonicContact NZ-OE1 3.31Å; K253-E271 IonicContact NZ-OE2 2.7Å; K253-E271 PolarHBondContact NZ-OE2 2.98Å; P254-E271 HydrophobicContact CG-CG 4.11Å; E256-E271 WeakPolarHBondContact OE1-CA 3.25Å; E256-E271 PolarHBondContact OE1-N 2.99Å; E271-E273 PolarHBondContact O-N 3.14Å
272	G	93.6	Very high	97	Very high	54 Å²	54	45.3 Å²	45.3	56%	0.557	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	-5.3	-178.9	0	0	0	0	0	116.2	E256 S270	E256-G272 PolarHBondContact OE1-N 3.22Å; S270-G272 VanDerWaalsContact C-N 3.26Å; S270-G272 PolarHBondContact O-N 3.15Å
273	E	94.1	Very high	97.1	Very high	79 Å²	79	37.6 Å²	37.6	37%	0.369	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	150.3	178.3	-57.2	-169	124.7	0	0	112	M1 K269 S270 E271	M1-E273 HydrophobicContact CB-CB 4.36Å; M1-E273 VanDerWaalsContact CB-OE2 3.3Å; M1-E273 WeakPolarHBondContact CB-OE2 3.47Å; M1-E273 PolarHBondContact N-OE1 3.09Å; M1-E273 PolarHBondContact N-OE2 3.45Å; K269-E273 CarbonylContact C-O 3.52Å; K269-E273 VanDerWaalsContact CA-O 3.25Å; K269-E273 WeakPolarHBondContact CA-O 3.34Å; S270-E273 PolarHBondContact N-O 2.79Å; S270-E273 PolarHBondContact O-N 3.11Å; E271-E273 PolarHBondContact O-N 3.14Å
274	I	96.1	Very high	97.3	Very high	50 Å²	50	35.3 Å²	35.3	26%	0.256	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.2	178.4	-59.6	174.3	0	0	0	110.1	M1 V259 K269	M1-I274 CarbonylContact O-C 3.49Å; V259-I274 HydrophobicContact CG2-CD1 4.36Å; V259-I274 HydrophobicContact CG2-CG2 4.22Å; K269-I274 HydrophobicContact CB-CG1 4.08Å; K269-I274 HydrophobicContact CD-CG1 4.49Å; K269-I274 HydrophobicContact CG-CG1 3.92Å
275	A	96.9	Very high	97.3	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.025	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.7	166.5	0	0	0	0	0	109.3	Y5 I8 L31 G267 V268	Y5-A275 HydrophobicContact CD2-CB 4.34Å; Y5-A275 HydrophobicContact CE2-CB 4.18Å; I8-A275 HydrophobicContact CD1-CB 3.86Å; I8-A275 WeakPolarHBondContact CD1-O 3.43Å; L31-A275 HydrophobicContact CD2-CB 3.59Å; G267-A275 CarbonylContact C-O 3.43Å; G267-A275 WeakPolarHBondContact CA-O 3.41Å; V268-A275 PolarHBondContact N-O 3.14Å; V268-A275 PolarHBondContact O-N 3.16Å
276	R	97.9	Very high	97.3	Very high	102 Å²	102	34.3 Å²	34.3	39%	0.385	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	144.8	-177.6	-66.9	-71	-179.8	146.2	-7	111	E3 E4 Y5 E261 V266	E3-R276 PolarHBondContact O-N 2.86Å; E4-R276 HydrophobicContact CG-CB 4.32Å; Y5-R276 PolarHBondContact N-O 2.77Å; E261-R276 IonicContact OE1-CZ 3.11Å; E261-R276 IonicContact OE1-NH1 2.74Å; E261-R276 PolarHBondContact OE1-NH1 2.95Å; E261-R276 IonicContact OE1-NH2 2.68Å; V266-R276 CarbonylContact O-C 3.54Å; V266-R276 VanDerWaalsContact O-CA 3.27Å; V266-R276 WeakPolarHBondContact O-CA 3.32Å; V266-R276 WeakPolarHBondContact O-CD 3.36Å
277	C	97.8	Very high	97.3	Very high	10 Å²	10	33.3 Å²	33.3	7%	0.068	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	163.8	176.3	70.5	0	0	0	0	114	Y5 I8 V266 Q279	Y5-C277 VanDerWaalsContact O-CA 3.29Å; Y5-C277 WeakPolarHBondContact O-CA 3.29Å; I8-C277 HydrophobicContact CB-CB 4.12Å; I8-C277 HydrophobicContact CD1-CB 3.62Å; I8-C277 HydrophobicContact CG1-CB 3.62Å; V266-C277 CarbonylContact C-O 3.53Å; V266-C277 PolarHBondContact O-N 3.02Å; C277-Q279 PolarHBondContact SG-O 2.91Å; C277-Q279 VanDerWaalsContact SG-O 3.42Å
278	K	98	Very high	97.2	Very high	100 Å²	100	37.9 Å²	37.9	44%	0.435	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-31	174.6	-59.4	170.8	-172.4	157.3	0	112.6	D6	D6-K278 WeakPolarHBondContact O-CB 3.48Å; D6-K278 PolarHBondContact O-N 2.92Å; D6-K278 IonicContact OD1-NZ 3.66Å; D6-K278 PolarHBondContact OD1-NZ 3.01Å
279	Q	98.5	Very high	97.2	Very high	33 Å²	33	43.9 Å²	43.9	15%	0.154	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	149.8	179.9	-60.3	-175.5	-61.3	0	0	109.9	D6 V7 I8 C277 Q397 F399 M424	D6-Q279 PolarHBondContact O-N 3.4Å; V7-Q279 WeakPolarHBondContact CA-O 3.36Å; I8-Q279 PolarHBondContact N-O 3.32Å; C277-Q279 PolarHBondContact SG-O 2.91Å; C277-Q279 VanDerWaalsContact SG-O 3.42Å; Q279-Q397 HydrophobicContact CG-CB 4.42Å; Q279-F399 HydrophobicContact CB-CD2 4.49Å; Q279-F399 HydrophobicContact CB-CE2 4.12Å; Q279-F399 HydrophobicContact CG-CE2 4.1Å; Q279-M424 HydrophobicContact CB-CE 4.34Å; Q279-M424 PolarHBondContact NE2-O 2.79Å
280	L	98.8	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.5	176.3	-178.6	64.8	0	0	0	109.5	I8 L10 I258 V265 V268 Q397 I398 F399	I8-L280 HydrophobicContact CB-CD1 3.89Å; I8-L280 HydrophobicContact CG2-CD1 3.66Å; I8-L280 CarbonylContact O-C 3.58Å; I8-L280 WeakPolarHBondContact O-CA 3.28Å; I8-L280 WeakPolarHBondContact O-CD1 3.43Å; L10-L280 HydrophobicContact CD1-CD1 3.89Å; L10-L280 HydrophobicContact CD1-CD2 4.28Å; L10-L280 HydrophobicContact CG-CD1 3.78Å; I258-L280 HydrophobicContact CB-CD2 4.5Å; I258-L280 HydrophobicContact CD1-CD2 3.82Å; I258-L280 HydrophobicContact CG1-CD2 4.01Å; I258-L280 HydrophobicContact CG2-CD2 3.66Å; V265-L280 HydrophobicContact CB-CB 4.5Å; V265-L280 HydrophobicContact CG1-CB 4Å; V265-L280 HydrophobicContact CG2-CB 4.07Å; V265-L280 HydrophobicContact CG2-CD2 4.18Å; V268-L280 HydrophobicContact CG2-CD1 3.85Å; V268-L280 HydrophobicContact CG2-CD2 4.5Å; L280-Q397 PolarHBondContact N-O 3.42Å; L280-I398 HydrophobicContact CB-CG1 4.41Å; L280-I398 HydrophobicContact CD2-CG1 4.29Å; L280-I398 HydrophobicContact CD2-CG2 4.21Å; L280-I398 CarbonylContact O-C 3.59Å; L280-I398 WeakPolarHBondContact O-CA 3.46Å; L280-F399 PolarHBondContact O-N 3.22Å
281	I	98.8	Very high	97.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.5	167	-51	178	0	0	0	107.6	V7 I8 V9 L10 E16 L19 F399 M424	V7-I281 HydrophobicContact CG1-CD1 3.98Å; V7-I281 HydrophobicContact CG1-CG1 3.95Å; I8-I281 PolarHBondContact O-N 3.39Å; V9-I281 CarbonylContact C-O 3.6Å; V9-I281 VanDerWaalsContact CA-O 3.31Å; V9-I281 WeakPolarHBondContact CA-O 3.38Å; V9-I281 HydrophobicContact CG1-CB 4.22Å; V9-I281 HydrophobicContact CG1-CG2 4.47Å; V9-I281 HydrophobicContact CG2-CB 4.2Å; V9-I281 HydrophobicContact CG2-CD1 4.12Å; V9-I281 HydrophobicContact CG2-CG1 4.41Å; L10-I281 PolarHBondContact N-O 3.47Å; E16-I281 HydrophobicContact CG-CG2 4.4Å; L19-I281 HydrophobicContact CB-CD1 3.81Å; L19-I281 HydrophobicContact CD1-CD1 4.34Å; L19-I281 HydrophobicContact CD1-CG2 4.01Å; I281-F399 WeakPolarHBondContact CA-O 3.41Å; I281-M424 HydrophobicContact CD1-CE 3.61Å; I281-M424 HydrophobicContact CD1-SD 3.44Å; I281-M424 WeakPolarHBondContact CD1-SD 3.32Å; I281-M424 HydrophobicContact CG1-CE 3.69Å; I281-M424 HydrophobicContact CG1-SD 3.67Å
282	C	98.6	Very high	97.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	158.8	174	57.7	0	0	0	0	113.5	L10 Y286 F399 I400 S401	L10-C282 HydrophobicContact CB-CB 3.85Å; L10-C282 HydrophobicContact CD1-CB 4.47Å; L10-C282 HydrophobicContact CG-CB 4.46Å; L10-C282 VanDerWaalsContact O-CA 3.31Å; L10-C282 WeakPolarHBondContact O-CA 3.26Å; C282-Y286 HydrophobicContact CB-CD2 4.32Å; C282-Y286 HydrophobicContact CB-CG 4.36Å; C282-F399 PolarHBondContact N-O 2.93Å; C282-F399 VanDerWaalsContact N-O 3.13Å; C282-I400 VanDerWaalsContact O-CA 3.31Å; C282-I400 WeakPolarHBondContact O-CA 3.25Å; C282-S401 PolarHBondContact O-N 2.88Å
283	D	98	Very high	97.7	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.07	22%	0.22	C	C	.	.			trans	-76.1	162.1	163.3	77	58.2	0	0	0	111.7	L10 S285 Y286 S401	L10-D283 PolarHBondContact O-N 3.15Å; D283-S285 PolarHBondContact O-N 3.42Å; D283-S285 VanDerWaalsContact O-N 3.08Å; D283-S285 WeakPolarHBondContact OD1-CA 3.29Å; D283-S285 WeakPolarHBondContact OD1-CB 3.29Å; D283-S285 PolarHBondContact OD1-N 3.23Å; D283-S285 PolarHBondContact OD1-OG 3.18Å; D283-Y286 PolarHBondContact O-N 2.99Å; D283-Y286 WeakPolarHBondContact OD2-CE2 3.42Å; D283-S401 WeakPolarHBondContact CA-OG 3.35Å
284	P	98.3	Very high	97.8	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.032	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-51.8	-32.3	-177.9	-32.4	38.6	0	0	0	115.6	Y286 V287 M288 V291 Y387 I400 S401	P284-Y286 PolarHBondContact O-N 2.95Å; P284-V287 CarbonylContact O-C 3.59Å; P284-V287 PolarHBondContact O-N 2.68Å; P284-M288 PolarHBondContact O-N 3.42Å; P284-M288 VanDerWaalsContact O-SD 3.37Å; P284-V291 HydrophobicContact CB-CG1 4.04Å; P284-V291 HydrophobicContact CB-CG2 4.39Å; P284-V291 HydrophobicContact CG-CG1 4.49Å; P284-Y387 HydrophobicContact CB-CD2 4.38Å; P284-Y387 HydrophobicContact CB-CG 4.27Å; P284-I400 HydrophobicContact CG-CG2 4.35Å; P284-S401 WeakPolarHBondContact CG-O 3.4Å
285	S	97.8	Very high	97.9	Very high	48 Å²	48	45 Å²	45	34%	0.336	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-64.9	-16.4	-173.2	77.8	0	0	0	0	113.6	R35 D283	R35-S285 PolarHBondContact NH2-O 3.4Å; R35-S285 PolarHBondContact NH2-OG 2.91Å; D283-S285 PolarHBondContact O-N 3.42Å; D283-S285 VanDerWaalsContact O-N 3.08Å; D283-S285 WeakPolarHBondContact OD1-CA 3.29Å; D283-S285 WeakPolarHBondContact OD1-CB 3.29Å; D283-S285 PolarHBondContact OD1-N 3.23Å; D283-S285 PolarHBondContact OD1-OG 3.18Å
286	Y	98.1	Very high	98	Very high	25 Å²	25	47.9 Å²	47.9	10%	0.098	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-87.8	-16.4	177.8	-70	-87.5	0	0	0	113.5	L10 G11 R35 I255 C282 D283 P284	L10-Y286 HydrophobicContact CB-CD1 3.74Å; L10-Y286 HydrophobicContact CB-CD2 3.91Å; L10-Y286 HydrophobicContact CB-CE1 3.81Å; L10-Y286 HydrophobicContact CB-CE2 3.98Å; L10-Y286 HydrophobicContact CB-CG 3.79Å; L10-Y286 HydrophobicContact CD1-CD1 3.77Å; L10-Y286 HydrophobicContact CD1-CE1 4.38Å; L10-Y286 HydrophobicContact CD1-CG 4.12Å; L10-Y286 HydrophobicContact CG-CD1 4.33Å; G11-Y286 PolarHBondContact N-OH 2.74Å; R35-Y286 PolarHBondContact N-OH 2.84Å; R35-Y286 VanDerWaalsContact N-OH 3.16Å; R35-Y286 VanDerWaalsContact NH2-CE1 3.29Å; I255-Y286 HydrophobicContact CB-CD1 4.33Å; I255-Y286 HydrophobicContact CB-CE1 4.28Å; I255-Y286 HydrophobicContact CG1-CD1 4.03Å; I255-Y286 HydrophobicContact CG1-CE1 3.61Å; C282-Y286 HydrophobicContact CB-CD2 4.32Å; C282-Y286 HydrophobicContact CB-CG 4.36Å; D283-Y286 PolarHBondContact O-N 2.99Å; D283-Y286 WeakPolarHBondContact OD2-CE2 3.42Å; P284-Y286 PolarHBondContact O-N 2.95Å
287	V	97.4	Very high	98	Very high	4 Å²	4	43 Å²	43	2%	0.024	22%	0.218	C	C	.	.			trans	-147	56.5	-170.3	-72.5	0	0	0	0	111.5	I258 P284 D289 R290 I400	I258-V287 HydrophobicContact CD1-CG1 3.39Å; P284-V287 CarbonylContact O-C 3.59Å; P284-V287 PolarHBondContact O-N 2.68Å; V287-D289 PolarHBondContact O-N 2.74Å; V287-R290 HydrophobicContact CB-CB 4.22Å; V287-R290 HydrophobicContact CB-CG 4.45Å; V287-R290 PolarHBondContact O-N 2.95Å; V287-I400 HydrophobicContact CB-CD1 4.47Å; V287-I400 HydrophobicContact CG2-CD1 3.56Å; V287-I400 HydrophobicContact CG2-CG1 3.81Å; V287-I400 HydrophobicContact CG2-CG2 3.93Å
288	M	97	Very high	98	Very high	95 Å²	95	42.6 Å²	42.6	47%	0.468	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-60.6	-19.6	-175.9	-67.8	-57.9	-59.3	0	0	114.3	P284 R290 V291 Y387	P284-M288 PolarHBondContact O-N 3.42Å; P284-M288 VanDerWaalsContact O-SD 3.37Å; M288-R290 VanDerWaalsContact C-N 3.35Å; M288-V291 HydrophobicContact CE-CG2 4.36Å; M288-V291 HydrophobicContact SD-CG2 4.29Å; M288-Y387 HydrophobicContact CE-CD1 4.24Å; M288-Y387 HydrophobicContact CE-CE1 3.63Å; M288-Y387 HydrophobicContact CE-CE2 4.06Å
289	D	96.8	Very high	98	Very high	128 Å²	128	38.3 Å²	38.3	68%	0.684	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-79.5	-13.1	174.4	64.2	-49.5	0	0	0	113.8	V287	V287-D289 PolarHBondContact O-N 2.74Å
290	R	97.8	Very high	98	Very high	62 Å²	62	36.9 Å²	36.9	23%	0.234	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-113.6	15.6	-177.4	-59.6	-177.3	177.7	-96.9	-10.2	113.7	V287 M288 T390 D391 I400	V287-R290 HydrophobicContact CB-CB 4.22Å; V287-R290 HydrophobicContact CB-CG 4.45Å; V287-R290 PolarHBondContact O-N 2.95Å; M288-R290 VanDerWaalsContact C-N 3.35Å; R290-T390 PolarHBondContact O-N 2.95Å; R290-T390 PolarHBondContact O-OG1 2.81Å; R290-D391 HydrophobicContact CB-CB 4.34Å; R290-D391 IonicContact CZ-OD2 2.73Å; R290-D391 IonicContact NH1-OD2 2.68Å; R290-D391 PolarHBondContact NH1-OD2 3.23Å; R290-I400 HydrophobicContact CB-CD1 3.58Å; R290-I400 WeakPolarHBondContact O-CD1 3.42Å
291	V	98.4	Very high	98	Very high	17 Å²	17	37 Å²	37	10%	0.103	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	159.4	178.3	-61	0	0	0	0	110.2	P284 M288 Y387 E388 I400	P284-V291 HydrophobicContact CB-CG1 4.04Å; P284-V291 HydrophobicContact CB-CG2 4.39Å; P284-V291 HydrophobicContact CG-CG1 4.49Å; M288-V291 HydrophobicContact CE-CG2 4.36Å; M288-V291 HydrophobicContact SD-CG2 4.29Å; V291-Y387 HydrophobicContact CB-CD1 4.4Å; V291-Y387 HydrophobicContact CG2-CD1 3.81Å; V291-Y387 HydrophobicContact CG2-CG 4.19Å; V291-E388 VanDerWaalsContact CA-O 3.32Å; V291-E388 WeakPolarHBondContact CA-O 3.39Å; V291-I400 HydrophobicContact CG1-CD1 4.12Å; V291-I400 HydrophobicContact CG1-CG2 3.89Å
292	K	98.3	Very high	98.1	Very high	100 Å²	100	37 Å²	37	44%	0.435	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.4	170.9	62.1	178.1	177.4	166.3	0	109.9	V294 Y387 E388 T390	K292-V294 HydrophobicContact CG-CG1 4.27Å; K292-Y387 WeakPolarHBondContact O-CA 3.49Å; K292-E388 HydrophobicContact CD-CG 4.47Å; K292-E388 VanDerWaalsContact CE-CG 3.42Å; K292-E388 WeakPolarHBondContact CE-OE1 3.5Å; K292-E388 HydrophobicContact CG-CG 4.02Å; K292-E388 PolarHBondContact N-O 2.85Å; K292-E388 IonicContact NZ-OE1 2.79Å; K292-E388 PolarHBondContact NZ-OE1 2.86Å; K292-E388 PolarHBondContact O-N 2.94Å; K292-E388 VanDerWaalsContact O-N 3.08Å; K292-T390 HydrophobicContact CB-CG2 3.78Å; K292-T390 HydrophobicContact CD-CG2 3.94Å; K292-T390 HydrophobicContact CG-CG2 3.74Å
293	K	98.3	Very high	98.1	Very high	102 Å²	102	37 Å²	37	44%	0.443	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.3	172.5	-178.2	174.5	177.8	164.1	0	109.4	Q296 D385 L386 Y387	K293-Q296 VanDerWaalsContact NZ-NE2 3.2Å; K293-D385 HydrophobicContact CD-CB 4.32Å; K293-D385 WeakPolarHBondContact CD-OD2 3.45Å; K293-D385 VanDerWaalsContact CE-OD1 3.27Å; K293-D385 WeakPolarHBondContact CE-OD1 3.49Å; K293-D385 WeakPolarHBondContact CE-OD2 3.47Å; K293-D385 IonicContact NZ-OD1 4Å; K293-D385 PolarHBondContact NZ-OD1 3.19Å; K293-D385 IonicContact NZ-OD2 3.93Å; K293-D385 PolarHBondContact NZ-OD2 3.29Å; K293-L386 CarbonylContact C-O 3.49Å; K293-L386 WeakPolarHBondContact CA-O 3.4Å; K293-Y387 HydrophobicContact CB-CD1 4.2Å; K293-Y387 HydrophobicContact CB-CE1 3.86Å
294	V	97.4	Very high	98.1	Very high	76 Å²	76	36.4 Å²	36.4	46%	0.461	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-8.5	-179.1	-65.8	0	0	0	0	113.9	K292 L386 E388	K292-V294 HydrophobicContact CG-CG1 4.27Å; V294-L386 HydrophobicContact CG2-CB 3.86Å; V294-L386 WeakPolarHBondContact CG2-O 3.49Å; V294-L386 PolarHBondContact N-O 2.99Å; V294-E388 HydrophobicContact CG1-CB 4.17Å; V294-E388 VanDerWaalsContact CG1-CD 3.47Å; V294-E388 HydrophobicContact CG1-CG 3.49Å; V294-E388 VanDerWaalsContact CG1-CG 3.49Å; V294-E388 WeakPolarHBondContact CG1-OE1 3.41Å
295	G	97.3	Very high	98.1	Very high	22 Å²	22	39.2 Å²	39.2	23%	0.227	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-166.9	177.9	0	0	0	0	0	112	L386	G295-L386 PolarHBondContact O-N 3.17Å
296	Q	98.3	Very high	98.1	Very high	64 Å²	64	39.1 Å²	39.1	30%	0.299	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.3	171.8	-59.4	-175.2	-71.2	0	0	109.6	K293 T356 V357 I383 S384 D385	K293-Q296 VanDerWaalsContact NZ-NE2 3.2Å; Q296-T356 WeakPolarHBondContact O-CA 3.31Å; Q296-V357 HydrophobicContact CB-CB 3.98Å; Q296-V357 HydrophobicContact CB-CG2 3.83Å; Q296-V357 PolarHBondContact O-N 3.04Å; Q296-I383 HydrophobicContact CB-CG2 4.3Å; Q296-S384 CarbonylContact C-O 3.57Å; Q296-S384 WeakPolarHBondContact CA-O 3.29Å; Q296-D385 VanDerWaalsContact CG-OD1 3.31Å; Q296-D385 WeakPolarHBondContact CG-OD1 3.4Å; Q296-D385 PolarHBondContact NE2-OD1 3.07Å
297	V	98.3	Very high	98.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.8	174.2	173.8	0	0	0	0	108.7	R299 T355 I383 S384 L386 A406	V297-R299 HydrophobicContact CG1-CG 3.92Å; V297-T355 WeakPolarHBondContact CA-O 3.34Å; V297-I383 WeakPolarHBondContact O-CA 3.36Å; V297-S384 PolarHBondContact N-O 3.39Å; V297-S384 PolarHBondContact O-N 3.19Å; V297-L386 HydrophobicContact CG2-CD1 3.61Å; V297-L386 HydrophobicContact CG2-CD2 3.83Å; V297-L386 HydrophobicContact CG2-CG 3.84Å; V297-A406 HydrophobicContact CG1-CB 3.78Å; V297-A406 HydrophobicContact CG2-CB 3.94Å
298	I	98.4	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.9	164.2	-179.8	173.3	0	0	0	108.8	V300 S354 T355 V357 P362 E363 I366 V381 S382 I383	I298-V300 HydrophobicContact CD1-CG2 3.93Å; I298-V300 HydrophobicContact CG1-CG2 4.01Å; I298-S354 WeakPolarHBondContact O-CA 3.44Å; I298-S354 WeakPolarHBondContact O-CB 3.37Å; I298-T355 HydrophobicContact CG2-CG2 3.49Å; I298-T355 VanDerWaalsContact CG2-CG2 3.49Å; I298-T355 PolarHBondContact N-O 2.91Å; I298-T355 PolarHBondContact O-N 3.33Å; I298-V357 HydrophobicContact CB-CG2 4.26Å; I298-V357 HydrophobicContact CG2-CG2 4.34Å; I298-P362 HydrophobicContact CB-CB 4.2Å; I298-P362 HydrophobicContact CD1-CB 3.94Å; I298-P362 WeakPolarHBondContact CD1-O 3.35Å; I298-P362 HydrophobicContact CG2-CB 4.46Å; I298-E363 HydrophobicContact CD1-CB 4.45Å; I298-E363 HydrophobicContact CD1-CG 3.93Å; I298-I366 HydrophobicContact CD1-CG2 4.46Å; I298-I366 HydrophobicContact CG2-CD1 4.46Å; I298-V381 HydrophobicContact CD1-CG1 4.25Å; I298-V381 HydrophobicContact CG1-CG1 4.47Å; I298-S382 CarbonylContact C-O 3.59Å; I298-S382 WeakPolarHBondContact CA-O 3.24Å; I298-I383 HydrophobicContact CB-CG1 4.28Å; I298-I383 HydrophobicContact CG1-CG1 4.27Å
299	R	98.6	Very high	98.1	Very high	10 Å²	10	37.2 Å²	37.2	4%	0.038	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129	166.9	-56	-169.8	173.9	83	0.4	109.3	L76 V297 A353 S382 Y404 D405	L76-R299 VanDerWaalsContact O-CD 3.28Å; L76-R299 WeakPolarHBondContact O-CD 3.36Å; V297-R299 HydrophobicContact CG1-CG 3.92Å; R299-A353 CarbonylContact C-O 3.29Å; R299-A353 WeakPolarHBondContact CA-O 3.45Å; R299-S382 PolarHBondContact N-O 2.7Å; R299-S382 PolarHBondContact O-N 3.19Å; R299-S382 PolarHBondContact O-OG 2.7Å; R299-Y404 PolarHBondContact NH2-O 2.76Å; R299-D405 PolarHBondContact NH2-O 2.9Å
300	V	98.6	Very high	98	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	109.9	174.9	-172.4	0	0	0	0	108.4	I298 I352 A353 I366 M370 K379 F380 V381	I298-V300 HydrophobicContact CD1-CG2 3.93Å; I298-V300 HydrophobicContact CG1-CG2 4.01Å; V300-I352 WeakPolarHBondContact O-CA 3.42Å; V300-A353 PolarHBondContact N-O 3.29Å; V300-A353 PolarHBondContact O-N 3.22Å; V300-I366 HydrophobicContact CG2-CG2 3.97Å; V300-M370 HydrophobicContact CB-CE 4.17Å; V300-M370 HydrophobicContact CB-SD 4.46Å; V300-M370 HydrophobicContact CG1-CE 4.26Å; V300-M370 HydrophobicContact CG1-SD 3.99Å; V300-K379 HydrophobicContact CG1-CB 4.35Å; V300-F380 WeakPolarHBondContact CA-O 3.5Å; V300-V381 HydrophobicContact CG1-CG2 4.11Å; V300-V381 HydrophobicContact CG2-CG1 4.36Å; V300-V381 HydrophobicContact CG2-CG2 4.19Å
301	I	98.8	Very high	97.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.9	173.4	-55.6	170.8	0	0	0	107.3	F56 V74 L76 I350 I352 K379 F380	F56-I301 HydrophobicContact CE2-CD1 4.48Å; F56-I301 HydrophobicContact CZ-CD1 4.27Å; V74-I301 HydrophobicContact CG1-CD1 4.11Å; V74-I301 HydrophobicContact CG1-CG2 3.89Å; L76-I301 HydrophobicContact CD2-CD1 4.32Å; I301-I350 HydrophobicContact CG2-CG2 3.88Å; I301-I352 HydrophobicContact CB-CG1 4.29Å; I301-I352 HydrophobicContact CG1-CD1 3.98Å; I301-I352 HydrophobicContact CG1-CG1 4.03Å; I301-I352 HydrophobicContact CG1-CG2 4.12Å; I301-I352 HydrophobicContact CG2-CD1 4.25Å; I301-I352 HydrophobicContact CG2-CG1 4.11Å; I301-K379 CarbonylContact O-C 3.21Å; I301-K379 WeakPolarHBondContact O-CA 3.45Å; I301-F380 HydrophobicContact CB-CB 4.14Å; I301-F380 HydrophobicContact CB-CD2 4.1Å; I301-F380 HydrophobicContact CG2-CD2 4.08Å; I301-F380 PolarHBondContact N-O 3.16Å; I301-F380 PolarHBondContact O-N 3.32Å
302	C	98.8	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.4	-179.6	-61.7	0	0	0	0	109.7	L304 A351 L373 I376 Q378	C302-L304 HydrophobicContact CB-CD2 4.14Å; C302-A351 WeakPolarHBondContact CA-O 3.41Å; C302-A351 HydrophobicContact CB-CB 4.45Å; C302-A351 WeakPolarHBondContact CB-O 3.4Å; C302-A351 PolarHBondContact N-O 3.22Å; C302-A351 PolarHBondContact O-N 3.34Å; C302-L373 HydrophobicContact CB-CD1 4.12Å; C302-I376 HydrophobicContact CB-CD1 4.32Å; C302-I376 HydrophobicContact CB-CG1 4.32Å; C302-I376 HydrophobicContact CB-CG2 3.83Å; C302-Q378 WeakPolarHBondContact CA-O 3.3Å
303	I	98.8	Very high	97.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.3	168.8	-64.7	174.7	0	0	0	108.8	L49 M66 W72 Y349 E377 Q378 F380	L49-I303 HydrophobicContact CD1-CD1 3.98Å; L49-I303 HydrophobicContact CD2-CD1 4.44Å; M66-I303 HydrophobicContact CE-CB 4.44Å; M66-I303 HydrophobicContact CE-CD1 4.17Å; M66-I303 HydrophobicContact CE-CG2 4.09Å; M66-I303 HydrophobicContact SD-CD1 4.07Å; M66-I303 HydrophobicContact SD-CG2 3.71Å; W72-I303 HydrophobicContact CH2-CB 4.44Å; W72-I303 HydrophobicContact CH2-CD1 3.8Å; W72-I303 HydrophobicContact CH2-CG1 4.02Å; W72-I303 HydrophobicContact CH2-CG2 3.6Å; W72-I303 HydrophobicContact CZ3-CD1 3.74Å; W72-I303 HydrophobicContact CZ3-CG1 3.83Å; W72-I303 HydrophobicContact CZ3-CG2 4.21Å; I303-Y349 WeakPolarHBondContact CA-O 3.33Å; I303-E377 HydrophobicContact CG2-CB 4.44Å; I303-E377 WeakPolarHBondContact O-CB 3.48Å; I303-E377 PolarHBondContact O-N 2.92Å; I303-Q378 HydrophobicContact CB-CB 4.41Å; I303-Q378 HydrophobicContact CD1-CB 4.45Å; I303-Q378 PolarHBondContact N-O 2.9Å; I303-F380 HydrophobicContact CD1-CE2 3.65Å; I303-F380 HydrophobicContact CD1-CZ 3.99Å; I303-F380 HydrophobicContact CG1-CE2 4Å
304	L	98.8	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149	177.6	-38.2	175.3	0	0	0	110.5	C302 H306 I308 K348 Y349 A351 L373 I376	C302-L304 HydrophobicContact CB-CD2 4.14Å; L304-H306 WeakPolarHBondContact CB-O 3.41Å; L304-I308 HydrophobicContact CD1-CG1 4.11Å; L304-K348 WeakPolarHBondContact O-CA 2.9Å; L304-Y349 PolarHBondContact N-O 3.16Å; L304-Y349 PolarHBondContact O-N 3.11Å; L304-A351 HydrophobicContact CD1-CB 3.88Å; L304-A351 HydrophobicContact CG-CB 4.38Å; L304-L373 HydrophobicContact CD1-CD2 4.29Å; L304-L373 HydrophobicContact CD2-CB 4.26Å; L304-L373 WeakPolarHBondContact CD2-O 3.16Å; L304-I376 HydrophobicContact CD2-CB 4.28Å; L304-I376 HydrophobicContact CD2-CG1 3.8Å; L304-I376 HydrophobicContact CD2-CG2 4.32Å
305	S	98.3	Very high	97.1	Very high	65 Å²	65	32.3 Å²	32.3	46%	0.455	20%	0.203	S	C	.	.	S	Bend	trans	-102.2	15	169.8	-75.6	0	0	0	0	112.6	K348 E377	S305-K348 PolarHBondContact OG-NZ 2.85Å; S305-E377 PolarHBondContact OG-OE2 2.8Å
306	H	98.3	Very high	97.2	Very high	46 Å²	46	31.2 Å²	31.2	21%	0.213	19%	0.193	C	C	.	.	S	Bend	trans	-149.3	155.4	-179.6	60.5	84.3	0	0	0	110.2	L304 Y349 L373 P375	L304-H306 WeakPolarHBondContact CB-O 3.41Å; H306-Y349 VanDerWaalsContact C-CD2 3.5Å; H306-Y349 VanDerWaalsContact C-CE2 3.45Å; H306-Y349 VanDerWaalsContact O-CD2 3.31Å; H306-Y349 WeakPolarHBondContact O-CD2 3.48Å; H306-L373 PolarHBondContact CE1-O 2.94Å; H306-P375 VanDerWaalsContact NE2-CD 3.26Å; H306-P375 WeakPolarHBondContact NE2-CD 3.36Å; H306-P375 PolarHBondContact NE2-O 3.1Å
307	P	97.9	Very high	97.2	Very high	25 Å²	25	28.2 Å²	28.2	16%	0.162	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-65.1	159.3	168.3	29.8	-35.3	0	0	0	110.6	A309 D313 Y349	P307-A309 PolarHBondContact O-N 3.38Å; P307-D313 HydrophobicContact CG-CB 4.01Å; P307-D313 WeakPolarHBondContact CG-OD1 3.49Å; P307-Y349 HydrophobicContact CB-CE1 4.12Å
308	I	98.3	Very high	97.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-66.4	132.6	175.6	-62	174.6	0	0	0	109.2	I116 L304 T311 I319 M336 A351 L373	I116-I308 HydrophobicContact CD1-CG2 4.33Å; L304-I308 HydrophobicContact CD1-CG1 4.11Å; I308-T311 HydrophobicContact CB-CG2 3.9Å; I308-T311 HydrophobicContact CG2-CG2 3.98Å; I308-T311 WeakPolarHBondContact O-CB 3.34Å; I308-T311 WeakPolarHBondContact O-CG2 2.74Å; I308-T311 PolarHBondContact O-N 3.36Å; I308-T311 PolarHBondContact O-OG1 3.43Å; I308-I319 HydrophobicContact CD1-CD1 3.91Å; I308-I319 HydrophobicContact CG2-CD1 4.05Å; I308-M336 HydrophobicContact CD1-CB 3.7Å; I308-M336 HydrophobicContact CD1-CG 3.96Å; I308-M336 HydrophobicContact CG1-CG 4.38Å; I308-A351 HydrophobicContact CD1-CB 4.36Å; I308-L373 HydrophobicContact CD1-CD2 3.42Å; I308-L373 VanDerWaalsContact CD1-CD2 3.42Å; I308-L373 HydrophobicContact CG1-CD2 3.65Å; I308-L373 HydrophobicContact CG2-CD2 4.48Å
309	A	96.2	Very high	97.2	Very high	58 Å²	58	28.2 Å²	28.2	48%	0.479	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	148.5	-179.1	0	0	0	0	0	112.2	I116 P307 T311	I116-A309 WeakPolarHBondContact CD1-O 3.25Å; P307-A309 PolarHBondContact O-N 3.38Å; A309-T311 PolarHBondContact O-N 3.15Å
310	N	93.4	Very high	97.1	Very high	127 Å²	127	27.7 Å²	27.7	68%	0.679	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	18.2	-179.7	-50.3	-66.7	0	0	0	115.4	I116	I116-N310 HydrophobicContact CG1-CB 4.13Å
311	T	94.5	Very high	97.1	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.043	18%	0.175	C	C	.	.	S	Bend	trans	-98	-11	172.6	64.7	0	0	0	0	113.7	Y109 I116 I308 A309	Y109-T311 HydrophobicContact CD2-CG2 4.46Å; Y109-T311 HydrophobicContact CE1-CG2 4.34Å; Y109-T311 HydrophobicContact CE2-CG2 4.14Å; Y109-T311 PolarHBondContact OH-O 3.07Å; I116-T311 HydrophobicContact CD1-CG2 3.61Å; I308-T311 HydrophobicContact CB-CG2 3.9Å; I308-T311 HydrophobicContact CG2-CG2 3.98Å; I308-T311 WeakPolarHBondContact O-CB 3.34Å; I308-T311 WeakPolarHBondContact O-CG2 2.74Å; I308-T311 PolarHBondContact O-N 3.36Å; I308-T311 PolarHBondContact O-OG1 3.43Å; A309-T311 PolarHBondContact O-N 3.15Å
312	G	90.9	Very high	96.9	Very high	65 Å²	65	27.6 Å²	27.6	67%	0.67	18%	0.176	S	C	*	.			trans	81.7	35.1	-174.7	0	0	0	0	0	113	I314	G312-I314 PolarHBondContact O-N 2.88Å
313	D	93	Very high	96.7	Very high	121 Å²	121	28.5 Å²	28.5	65%	0.647	18%	0.18	S	C	*	.	S	Bend	trans	54.1	37.2	176.5	-55.2	-28.8	0	0	0	114.6	P307	P307-D313 HydrophobicContact CG-CB 4.01Å; P307-D313 WeakPolarHBondContact CG-OD1 3.49Å
314	I	96.9	Very high	96.5	Very high	24 Å²	24	31.7 Å²	31.7	12%	0.123	20%	0.197	C	C	.	.			trans	-78.9	158.3	177.6	61.7	177.3	0	0	0	111.9	E106 Y109 G312 S316 C317 M336	E106-I314 HydrophobicContact CB-CB 3.88Å; E106-I314 HydrophobicContact CB-CD1 4.36Å; E106-I314 HydrophobicContact CB-CG2 4.2Å; E106-I314 WeakPolarHBondContact OE2-CA 3.35Å; E106-I314 WeakPolarHBondContact OE2-CB 3.42Å; Y109-I314 HydrophobicContact CE2-CD1 3.6Å; Y109-I314 VanDerWaalsContact OH-CD1 3.28Å; Y109-I314 WeakPolarHBondContact OH-CD1 3.46Å; G312-I314 PolarHBondContact O-N 2.88Å; I314-S316 WeakPolarHBondContact CD1-O 3.39Å; I314-C317 HydrophobicContact CD1-CB 3.69Å; I314-M336 WeakPolarHBondContact O-CE 3.32Å
315	N	97.9	Very high	96.3	Very high	37 Å²	37	34.3 Å²	34.3	20%	0.198	21%	0.21	C	C	.	.	S	Bend	trans	-92.8	-7.3	-174.3	-61.9	-74.1	0	0	0	114.1	E106 S338 F339 A340	E106-N315 PolarHBondContact OE2-N 3.33Å; E106-N315 PolarHBondContact OE2-ND2 3.19Å; N315-S338 WeakPolarHBondContact O-CB 3.4Å; N315-S338 PolarHBondContact O-OG 2.89Å; N315-S338 VanDerWaalsContact O-OG 3.05Å; N315-F339 WeakPolarHBondContact OD1-CZ 3.48Å; N315-A340 HydrophobicContact CB-CB 3.6Å
316	S	98.6	Very high	96.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.197	C	C	.	.			trans	-163.1	142.8	176.4	52.6	0	0	0	0	111.9	I105 E106 G107 I314 M336 H341	I105-S316 WeakPolarHBondContact CA-OG 3.42Å; E106-S316 WeakPolarHBondContact CB-O 3.38Å; E106-S316 PolarHBondContact N-O 2.97Å; E106-S316 PolarHBondContact N-OG 3.45Å; G107-S316 PolarHBondContact N-O 3.23Å; I314-S316 WeakPolarHBondContact CD1-O 3.39Å; S316-M336 CarbonylContact C-O 3.54Å; S316-M336 WeakPolarHBondContact CA-O 3.33Å; S316-M336 VanDerWaalsContact CB-O 3.29Å; S316-M336 WeakPolarHBondContact CB-O 2.8Å; S316-H341 WeakPolarHBondContact CB-CE1 3.07Å; S316-H341 PolarHBondContact OG-CE1 3.13Å; S316-H341 VanDerWaalsContact OG-CE1 3.25Å
317	C	98.3	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	160.5	175.2	66.3	0	0	0	0	114.2	G107 Y109 I314 C335 M336	G107-C317 CarbonylContact O-C 3.55Å; G107-C317 WeakPolarHBondContact O-CA 3.36Å; G107-C317 WeakPolarHBondContact O-CB 3.46Å; Y109-C317 HydrophobicContact CD2-CB 3.93Å; Y109-C317 HydrophobicContact CE2-CB 3.8Å; I314-C317 HydrophobicContact CD1-CB 3.69Å; C317-C335 CarbonylContact O-C 3.59Å; C317-C335 WeakPolarHBondContact O-CA 3.47Å; C317-M336 PolarHBondContact N-O 3Å; C317-M336 PolarHBondContact O-N 3.39Å
318	Q	98.2	Very high	95.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.7	160.6	177.7	126.8	-79.4	0	0	109	F80 G107 S108 Y109 Y224 I320 V334 T408	F80-Q318 HydrophobicContact CD2-CB 4.14Å; F80-Q318 HydrophobicContact CE2-CB 3.94Å; G107-Q318 PolarHBondContact O-N 2.96Å; S108-Q318 CarbonylContact C-O 3.59Å; S108-Q318 WeakPolarHBondContact CA-O 3.45Å; Y109-Q318 PolarHBondContact N-O 2.88Å; Y224-Q318 HydrophobicContact CD2-CB 4.15Å; Y224-Q318 HydrophobicContact CE2-CB 3.93Å; Y224-Q318 HydrophobicContact CE2-CG 4.17Å; Y224-Q318 VanDerWaalsContact CE2-NE2 3.31Å; Y224-Q318 PolarHBondContact OH-NE2 3.3Å; Q318-I320 HydrophobicContact CG-CD1 4.24Å; Q318-I320 HydrophobicContact CG-CG1 4.01Å; Q318-V334 CarbonylContact C-O 3.58Å; Q318-T408 PolarHBondContact OE1-O 2.96Å; Q318-T408 PolarHBondContact OE1-OG1 3.05Å
319	I	98	Very high	95.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.6	168.1	-47.7	176.2	0	0	0	107.7	Y109 I116 I308 V334 L372	Y109-I319 WeakPolarHBondContact O-CA 3.48Å; I116-I319 HydrophobicContact CD1-CD1 4.12Å; I116-I319 HydrophobicContact CG2-CG2 3.71Å; I308-I319 HydrophobicContact CD1-CD1 3.91Å; I308-I319 HydrophobicContact CG2-CD1 4.05Å; I319-V334 HydrophobicContact CB-CB 4.09Å; I319-V334 HydrophobicContact CD1-CB 4.49Å; I319-V334 PolarHBondContact N-O 3.23Å; I319-V334 PolarHBondContact O-N 3.27Å; I319-L372 HydrophobicContact CG2-CD1 4.47Å
320	I	97.7	Very high	95.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.3	175	-63.5	167.3	0	0	0	107.8	Y109 V110 Y111 H187 L191 Q318 P322 Y333	Y109-I320 PolarHBondContact O-N 2.82Å; V110-I320 CarbonylContact C-O 3.54Å; V110-I320 WeakPolarHBondContact CA-O 3.45Å; Y111-I320 PolarHBondContact N-O 2.73Å; H187-I320 HydrophobicContact CB-CG2 4.34Å; L191-I320 HydrophobicContact CD2-CD1 3.7Å; Q318-I320 HydrophobicContact CG-CD1 4.24Å; Q318-I320 HydrophobicContact CG-CG1 4.01Å; I320-P322 WeakPolarHBondContact O-CD 3.34Å; I320-Y333 HydrophobicContact CG1-CD1 4.17Å; I320-Y333 HydrophobicContact CG1-CE1 4.46Å
321	I	97.2	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	95.5	175.3	-48.6	-176.3	0	0	0	107.2	Y111 Q323 V326 D331 I332 P368 A369 L372	Y111-I321 HydrophobicContact CD1-CG2 3.83Å; Y111-I321 HydrophobicContact CE1-CG2 4.42Å; Y111-I321 HydrophobicContact CG-CG1 4.29Å; Y111-I321 HydrophobicContact CG-CG2 3.94Å; I321-Q323 PolarHBondContact O-N 2.93Å; I321-V326 HydrophobicContact CG2-CB 4.45Å; I321-V326 HydrophobicContact CG2-CG1 3.51Å; I321-V326 HydrophobicContact CG2-CG2 4.05Å; I321-D331 WeakPolarHBondContact O-CA 3.18Å; I321-I332 HydrophobicContact CB-CB 3.99Å; I321-I332 WeakPolarHBondContact CB-O 3.2Å; I321-I332 HydrophobicContact CD1-CB 4.17Å; I321-I332 HydrophobicContact CD1-CG2 4.17Å; I321-I332 HydrophobicContact CG1-CB 4.36Å; I321-I332 PolarHBondContact N-O 3.11Å; I321-I332 PolarHBondContact O-N 3.07Å; I321-P368 HydrophobicContact CD1-CB 4.41Å; I321-A369 HydrophobicContact CD1-CB 3.9Å; I321-L372 HydrophobicContact CD1-CD1 4.24Å
322	P	95.9	Very high	95.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.013	21%	0.212	C	C	.	.			trans	-59.2	138.4	-178.1	-24.1	34.3	0	0	0	111.1	V110 H187 I320 N324 Q325 D331	V110-P322 HydrophobicContact CG2-CG 3.77Å; H187-P322 HydrophobicContact CB-CB 4.28Å; H187-P322 HydrophobicContact CB-CG 4.24Å; I320-P322 WeakPolarHBondContact O-CD 3.34Å; P322-N324 PolarHBondContact O-N 2.86Å; P322-N324 VanDerWaalsContact O-N 3.08Å; P322-Q325 HydrophobicContact CB-CG 4.23Å; P322-Q325 HydrophobicContact CG-CG 4.4Å; P322-Q325 WeakPolarHBondContact O-CB 3.35Å; P322-Q325 PolarHBondContact O-N 2.89Å; P322-D331 WeakPolarHBondContact CA-OD1 3.28Å
323	Q	94.4	Very high	96.2	Very high	20 Å²	20	36.3 Å²	36.3	9%	0.093	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-49.9	-38.2	-177	61.6	178.8	82	0	0	113.4	R193 I321 Q325 V326 N327 R328 K329 D331	R193-Q323 PolarHBondContact O-OE1 2.85Å; I321-Q323 PolarHBondContact O-N 2.93Å; Q323-Q325 VanDerWaalsContact C-N 3.26Å; Q323-Q325 PolarHBondContact O-N 3.32Å; Q323-V326 CarbonylContact O-C 3.57Å; Q323-V326 PolarHBondContact O-N 3.04Å; Q323-N327 PolarHBondContact O-N 3.31Å; Q323-R328 HydrophobicContact CB-CB 4.28Å; Q323-R328 WeakPolarHBondContact CB-O 3.35Å; Q323-R328 PolarHBondContact O-N 2.97Å; Q323-K329 VanDerWaalsContact CD-O 3.29Å; Q323-K329 PolarHBondContact NE2-O 2.93Å; Q323-K329 PolarHBondContact OE1-O 2.76Å; Q323-D331 WeakPolarHBondContact CB-OD1 3.41Å; Q323-D331 PolarHBondContact N-OD1 2.84Å
324	N	93.7	Very high	96.5	Very high	68 Å²	68	30.6 Å²	30.6	36%	0.364	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-68.3	-24	-179.1	-66	-23.4	0	0	0	112.5	D183 D195 P322 V326	D183-N324 PolarHBondContact OD1-ND2 2.99Å; D195-N324 PolarHBondContact OD2-ND2 2.81Å; P322-N324 PolarHBondContact O-N 2.86Å; P322-N324 VanDerWaalsContact O-N 3.08Å; N324-V326 VanDerWaalsContact C-N 3.32Å
325	Q	94.1	Very high	96.5	Very high	55 Å²	55	29.4 Å²	29.4	26%	0.257	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-79.4	-15.5	178	-63	-65.1	-53.6	0	0	113.3	Y111 P322 Q323	Y111-Q325 HydrophobicContact CD1-CB 3.97Å; Y111-Q325 HydrophobicContact CE1-CB 4.31Å; P322-Q325 HydrophobicContact CB-CG 4.23Å; P322-Q325 HydrophobicContact CG-CG 4.4Å; P322-Q325 WeakPolarHBondContact O-CB 3.35Å; P322-Q325 PolarHBondContact O-N 2.89Å; Q323-Q325 VanDerWaalsContact C-N 3.26Å; Q323-Q325 PolarHBondContact O-N 3.32Å
326	V	95.4	Very high	96.6	Very high	30 Å²	30	27.7 Å²	27.7	18%	0.182	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	14.7	-175.7	-68.3	0	0	0	0	112.8	Y111 I321 Q323 N324 R328 I332 P368	Y111-V326 HydrophobicContact CE1-CG1 4.22Å; I321-V326 HydrophobicContact CG2-CB 4.45Å; I321-V326 HydrophobicContact CG2-CG1 3.51Å; I321-V326 HydrophobicContact CG2-CG2 4.05Å; Q323-V326 CarbonylContact O-C 3.57Å; Q323-V326 PolarHBondContact O-N 3.04Å; N324-V326 VanDerWaalsContact C-N 3.32Å; V326-R328 HydrophobicContact CB-CG 4.48Å; V326-R328 HydrophobicContact CG2-CB 4.2Å; V326-R328 HydrophobicContact CG2-CG 3.85Å; V326-R328 PolarHBondContact O-N 3.27Å; V326-I332 HydrophobicContact CG2-CD1 4.21Å; V326-P368 HydrophobicContact CB-CG 4.28Å; V326-P368 HydrophobicContact CG1-CB 3.8Å; V326-P368 HydrophobicContact CG1-CG 3.73Å
327	N	94.9	Very high	96.6	Very high	159 Å²	159	27.8 Å²	27.8	85%	0.85	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	49.1	178.8	-169.7	49.3	0	0	0	113.2	Q323	Q323-N327 PolarHBondContact O-N 3.31Å
328	R	95.3	Very high	96.6	Very high	27 Å²	27	27.8 Å²	27.8	10%	0.102	14%	0.135	C	C	.	.			trans	-118.9	174.6	178.8	-67.5	-175.4	58.9	73.6	-2.3	111.5	Q323 V326 H330 T355 T356 E358 E365	Q323-R328 HydrophobicContact CB-CB 4.28Å; Q323-R328 WeakPolarHBondContact CB-O 3.35Å; Q323-R328 PolarHBondContact O-N 2.97Å; V326-R328 HydrophobicContact CB-CG 4.48Å; V326-R328 HydrophobicContact CG2-CB 4.2Å; V326-R328 HydrophobicContact CG2-CG 3.85Å; V326-R328 PolarHBondContact O-N 3.27Å; R328-H330 WeakPolarHBondContact CB-O 3.39Å; R328-H330 PolarHBondContact NE-O 2.72Å; R328-T355 PolarHBondContact NH2-OG1 3.43Å; R328-T355 VanDerWaalsContact NH2-OG1 3.15Å; R328-T356 PolarHBondContact NH2-O 3.11Å; R328-E358 IonicContact CZ-OE1 3.19Å; R328-E358 IonicContact CZ-OE2 2.68Å; R328-E358 IonicContact NE-OE1 2.79Å; R328-E358 IonicContact NH1-OE2 3.9Å; R328-E358 IonicContact NH2-OE1 2.73Å; R328-E358 PolarHBondContact NH2-OE1 3.47Å; R328-E365 IonicContact CZ-OE2 2.93Å; R328-E365 VanDerWaalsContact NH1-CB 3.34Å; R328-E365 VanDerWaalsContact NH1-CG 3.34Å; R328-E365 IonicContact NH1-OE2 2.61Å; R328-E365 PolarHBondContact NH1-OE2 3.15Å; R328-E365 IonicContact NH2-OE2 3.69Å; R328-E365 PolarHBondContact NH2-OE2 2.82Å
329	K	94.4	Very high	96.6	Very high	152 Å²	152	31 Å²	31	66%	0.661	15%	0.15	S	C	*	.	S	Bend	trans	-101	-12.9	170.2	-60.5	179.7	-179.4	176.6	0	113.6	Q323 E358	Q323-K329 VanDerWaalsContact CD-O 3.29Å; Q323-K329 PolarHBondContact NE2-O 2.93Å; Q323-K329 PolarHBondContact OE1-O 2.76Å; K329-E358 VanDerWaalsContact CA-OE1 3.32Å; K329-E358 WeakPolarHBondContact CA-OE1 3.49Å; K329-E358 WeakPolarHBondContact CB-OE1 3.3Å; K329-E358 PolarHBondContact N-OE1 2.76Å; K329-E358 PolarHBondContact N-OE2 2.58Å; K329-E358 VanDerWaalsContact N-OE2 3.16Å
330	H	94.6	Very high	96.6	Very high	59 Å²	59	32 Å²	32	27%	0.273	16%	0.158	S	C	.	.	S	Bend	trans	-133.6	143	177.2	-53.4	86.3	0	0	0	110.4	R328 E358	R328-H330 WeakPolarHBondContact CB-O 3.39Å; R328-H330 PolarHBondContact NE-O 2.72Å; H330-E358 IonicContact CE1-OE1 3.72Å; H330-E358 IonicContact CG-OE1 3.96Å; H330-E358 PolarHBondContact N-OE1 2.89Å; H330-E358 IonicContact ND1-OE1 3.48Å; H330-E358 PolarHBondContact ND1-OE1 3.39Å
331	D	96.3	Very high	96.6	Very high	2 Å²	2	32 Å²	32	1%	0.011	16%	0.158	C	C	.	.			trans	-62.6	154.8	175.5	-65.7	-9.9	0	0	0	112.6	H187 I321 P322 Q323 Y333 T355	H187-D331 IonicContact CE1-OD1 3.9Å; H187-D331 PolarHBondContact CE1-OD1 3.19Å; H187-D331 IonicContact CE1-OD2 3.74Å; H187-D331 IonicContact CG-OD1 3.11Å; H187-D331 IonicContact CG-OD2 3.84Å; H187-D331 IonicContact ND1-OD1 2.76Å; H187-D331 PolarHBondContact ND1-OD1 3.06Å; H187-D331 IonicContact ND1-OD2 2.79Å; H187-D331 PolarHBondContact ND1-OD2 2.83Å; I321-D331 WeakPolarHBondContact O-CA 3.18Å; P322-D331 WeakPolarHBondContact CA-OD1 3.28Å; Q323-D331 WeakPolarHBondContact CB-OD1 3.41Å; Q323-D331 PolarHBondContact N-OD1 2.84Å; D331-Y333 HydrophobicContact CB-CE1 4.34Å; D331-Y333 HydrophobicContact CB-CE2 3.8Å; D331-T355 PolarHBondContact O-OG1 2.95Å
332	I	97.9	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.5	165.7	-53.4	163	0	0	0	108.3	I321 V326 S354 T355 E365 I366 P368 A369	I321-I332 HydrophobicContact CB-CB 3.99Å; I321-I332 WeakPolarHBondContact CB-O 3.2Å; I321-I332 HydrophobicContact CD1-CB 4.17Å; I321-I332 HydrophobicContact CD1-CG2 4.17Å; I321-I332 HydrophobicContact CG1-CB 4.36Å; I321-I332 PolarHBondContact N-O 3.11Å; I321-I332 PolarHBondContact O-N 3.07Å; V326-I332 HydrophobicContact CG2-CD1 4.21Å; I332-S354 WeakPolarHBondContact CA-O 3.46Å; I332-T355 HydrophobicContact CG1-CG2 4.32Å; I332-E365 VanDerWaalsContact CD1-O 3.27Å; I332-E365 WeakPolarHBondContact CD1-O 3.28Å; I332-I366 HydrophobicContact CG2-CD1 3.46Å; I332-I366 VanDerWaalsContact CG2-CD1 3.46Å; I332-I366 HydrophobicContact CG2-CG1 4.19Å; I332-P368 HydrophobicContact CD1-CB 4.49Å; I332-P368 HydrophobicContact CD1-CG 4.27Å; I332-A369 HydrophobicContact CG2-CB 3.89Å
333	Y	98.3	Very high	96.8	Very high	7 Å²	7	34.8 Å²	34.8	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140.7	179	-55.8	-90.4	0	0	0	109.9	I320 D331 A353 S354 A406 T407 T408	I320-Y333 HydrophobicContact CG1-CD1 4.17Å; I320-Y333 HydrophobicContact CG1-CE1 4.46Å; D331-Y333 HydrophobicContact CB-CE1 4.34Å; D331-Y333 HydrophobicContact CB-CE2 3.8Å; Y333-A353 CarbonylContact O-C 3.46Å; Y333-A353 VanDerWaalsContact O-CA 3.25Å; Y333-A353 WeakPolarHBondContact O-CA 3.42Å; Y333-S354 PolarHBondContact N-O 3.13Å; Y333-S354 PolarHBondContact O-N 2.93Å; Y333-A406 WeakPolarHBondContact CD2-O 3.45Å; Y333-T407 HydrophobicContact CE2-CG2 4.45Å; Y333-T408 HydrophobicContact CG-CG2 4.4Å
334	V	98.6	Very high	97	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123	165.4	-173.1	0	0	0	0	108.5	Q318 I319 A351 I352 A353 A369 L373	Q318-V334 CarbonylContact C-O 3.58Å; I319-V334 HydrophobicContact CB-CB 4.09Å; I319-V334 HydrophobicContact CD1-CB 4.49Å; I319-V334 PolarHBondContact N-O 3.23Å; I319-V334 PolarHBondContact O-N 3.27Å; V334-A351 HydrophobicContact CG1-CB 4.39Å; V334-I352 WeakPolarHBondContact CA-O 3.28Å; V334-A353 HydrophobicContact CG2-CB 4.06Å; V334-A369 HydrophobicContact CG2-CB 3.54Å; V334-L373 HydrophobicContact CG1-CD1 4.48Å; V334-L373 HydrophobicContact CG1-CD2 4.23Å
335	C	97.8	Very high	97.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.9	163.9	60.8	0	0	0	0	109	P78 F80 C317 A351 I352 T408	P78-C335 VanDerWaalsContact CB-SG 3.51Å; P78-C335 WeakPolarHBondContact CG-SG 3.35Å; F80-C335 HydrophobicContact CD2-CB 4.44Å; F80-C335 HydrophobicContact CE1-CB 4.35Å; F80-C335 HydrophobicContact CE2-CB 3.63Å; F80-C335 HydrophobicContact CZ-CB 3.59Å; C317-C335 CarbonylContact O-C 3.59Å; C317-C335 WeakPolarHBondContact O-CA 3.47Å; C335-A351 CarbonylContact O-C 3.56Å; C335-A351 WeakPolarHBondContact O-CA 3.36Å; C335-I352 PolarHBondContact N-O 2.9Å; C335-I352 VanDerWaalsContact N-O 3.11Å; C335-I352 PolarHBondContact O-N 3.34Å; C335-T408 HydrophobicContact CB-CG2 4.01Å
336	M	98.6	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.8	174.2	-177.7	-82.8	-74.3	0	0	109.4	I308 I314 S316 C317 Y349 I350 A351	I308-M336 HydrophobicContact CD1-CB 3.7Å; I308-M336 HydrophobicContact CD1-CG 3.96Å; I308-M336 HydrophobicContact CG1-CG 4.38Å; I314-M336 WeakPolarHBondContact O-CE 3.32Å; S316-M336 CarbonylContact C-O 3.54Å; S316-M336 WeakPolarHBondContact CA-O 3.33Å; S316-M336 VanDerWaalsContact CB-O 3.29Å; S316-M336 WeakPolarHBondContact CB-O 2.8Å; C317-M336 PolarHBondContact N-O 3Å; C317-M336 PolarHBondContact O-N 3.39Å; M336-Y349 HydrophobicContact CE-CD1 4.2Å; M336-Y349 HydrophobicContact SD-CD1 3.63Å; M336-Y349 HydrophobicContact SD-CG 4.42Å; M336-I350 VanDerWaalsContact CA-O 3.32Å; M336-I350 WeakPolarHBondContact CA-O 3.43Å; M336-A351 HydrophobicContact CB-CB 4.25Å; M336-A351 HydrophobicContact CG-CB 4.19Å
337	I	98.6	Very high	97.5	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	164.7	169.8	54.4	-87.8	0	0	0	108.6	F80 I105 Y226 V343 I350	F80-I337 HydrophobicContact CE1-CG2 3.81Å; F80-I337 HydrophobicContact CZ-CG2 4.19Å; I105-I337 HydrophobicContact CD1-CG2 4.1Å; Y226-I337 HydrophobicContact CD1-CG2 3.87Å; Y226-I337 HydrophobicContact CE1-CB 4.36Å; Y226-I337 HydrophobicContact CE1-CG1 4.22Å; Y226-I337 HydrophobicContact CE1-CG2 3.94Å; Y226-I337 HydrophobicContact CG-CG2 4.21Å; I337-V343 HydrophobicContact CB-CG2 4.1Å; I337-V343 HydrophobicContact CG1-CG2 3.72Å; I337-I350 PolarHBondContact N-O 3.01Å; I337-I350 PolarHBondContact O-N 2.89Å
338	S	98.6	Very high	97.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	-173.7	-171.7	83	0	0	0	0	112.1	N315 A340 H341 V343 K348	N315-S338 WeakPolarHBondContact O-CB 3.4Å; N315-S338 PolarHBondContact O-OG 2.89Å; N315-S338 VanDerWaalsContact O-OG 3.05Å; S338-A340 PolarHBondContact O-N 2.78Å; S338-A340 PolarHBondContact OG-N 2.94Å; S338-A340 VanDerWaalsContact OG-N 3.12Å; S338-H341 PolarHBondContact O-N 3.38Å; S338-V343 VanDerWaalsContact O-CG2 3.25Å; S338-V343 WeakPolarHBondContact O-CG2 3.39Å; S338-K348 WeakPolarHBondContact CA-O 3.32Å; S338-K348 WeakPolarHBondContact CB-O 3.37Å
339	F	98.1	Very high	97.9	Very high	68 Å²	68	26.2 Å²	26.2	30%	0.298	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-45.1	-27.6	167.2	68.1	-88.3	0	0	0	114.4	N315 H341 N342 A344 A345 G347 K348 Y349	N315-F339 WeakPolarHBondContact OD1-CZ 3.48Å; F339-H341 PolarHBondContact O-N 3.3Å; F339-H341 VanDerWaalsContact O-N 3.16Å; F339-N342 PolarHBondContact O-N 3.47Å; F339-N342 PolarHBondContact O-OD1 3Å; F339-A344 WeakPolarHBondContact CA-O 3.43Å; F339-A344 WeakPolarHBondContact CB-O 3.34Å; F339-A345 WeakPolarHBondContact CB-O 3.36Å; F339-G347 VanDerWaalsContact CD1-N 3.3Å; F339-K348 PolarHBondContact N-O 3.11Å; F339-Y349 HydrophobicContact CE1-CE1 4.34Å; F339-Y349 HydrophobicContact CE1-CE2 4.44Å; F339-Y349 AromaticContact CE1-CZ 3.98Å
340	A	98.2	Very high	98.1	Very high	22 Å²	22	19.1 Å²	19.1	18%	0.182	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-65.9	-14.3	176.9	0	0	0	0	0	114.2	K103 N315 S338	K103-A340 VanDerWaalsContact CD-O 3.22Å; K103-A340 WeakPolarHBondContact CD-O 3.33Å; K103-A340 WeakPolarHBondContact CE-O 3.47Å; N315-A340 HydrophobicContact CB-CB 3.6Å; S338-A340 PolarHBondContact O-N 2.78Å; S338-A340 PolarHBondContact OG-N 2.94Å; S338-A340 VanDerWaalsContact OG-N 3.12Å
341	H	98.5	Very high	98.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-109.4	9.2	174.4	-61.1	74.3	0	0	0	112	Y226 L228 Y229 S316 S338 F339 V343	Y226-H341 HydrophobicContact CD1-CB 4.29Å; Y226-H341 AromaticContact CD1-CD2 3.83Å; Y226-H341 HydrophobicContact CE1-CB 4.47Å; L228-H341 CarbonylContact C-O 3.59Å; L228-H341 WeakPolarHBondContact CA-O 3.2Å; Y229-H341 PolarHBondContact N-O 3Å; S316-H341 WeakPolarHBondContact CB-CE1 3.07Å; S316-H341 PolarHBondContact OG-CE1 3.13Å; S316-H341 VanDerWaalsContact OG-CE1 3.25Å; S338-H341 PolarHBondContact O-N 3.38Å; F339-H341 PolarHBondContact O-N 3.3Å; F339-H341 VanDerWaalsContact O-N 3.16Å; H341-V343 HydrophobicContact CB-CG1 4.38Å; H341-V343 HydrophobicContact CB-CG2 4.2Å; H341-V343 PolarHBondContact O-N 3.34Å
342	N	98.5	Very high	98.4	Very high	60 Å²	60	16.2 Å²	16.2	32%	0.321	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	30.6	-177.1	-53.2	-17.3	0	0	0	114.4	N73 Y229 F339	N73-N342 PolarHBondContact ND2-O 3.46Å; Y229-N342 HydrophobicContact CD1-CB 3.47Å; Y229-N342 VanDerWaalsContact CD1-CB 3.47Å; Y229-N342 HydrophobicContact CE1-CB 3.45Å; Y229-N342 VanDerWaalsContact CE1-CB 3.45Å; Y229-N342 WeakPolarHBondContact CE1-ND2 3.37Å; Y229-N342 HydrophobicContact CG-CB 4.12Å; Y229-N342 PolarHBondContact OH-ND2 3.4Å; F339-N342 PolarHBondContact O-N 3.47Å; F339-N342 PolarHBondContact O-OD1 3Å
343	V	98.4	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-105.4	-8.2	178.3	-65.6	0	0	0	0	113.7	D71 W72 N73 Y226 I337 S338 H341 I350	D71-V343 CarbonylContact O-C 3.51Å; W72-V343 CarbonylContact C-O 3.57Å; W72-V343 VanDerWaalsContact CA-O 3.3Å; W72-V343 WeakPolarHBondContact CA-O 3.25Å; N73-V343 HydrophobicContact CB-CG1 4.4Å; N73-V343 PolarHBondContact N-O 2.84Å; N73-V343 WeakPolarHBondContact O-CB 3.31Å; Y226-V343 HydrophobicContact CE1-CG1 4.06Å; I337-V343 HydrophobicContact CB-CG2 4.1Å; I337-V343 HydrophobicContact CG1-CG2 3.72Å; S338-V343 VanDerWaalsContact O-CG2 3.25Å; S338-V343 WeakPolarHBondContact O-CG2 3.39Å; H341-V343 HydrophobicContact CB-CG1 4.38Å; H341-V343 HydrophobicContact CB-CG2 4.2Å; H341-V343 PolarHBondContact O-N 3.34Å; V343-I350 HydrophobicContact CB-CD1 4.22Å; V343-I350 HydrophobicContact CG2-CD1 4.06Å; V343-I350 VanDerWaalsContact O-CD1 3.27Å; V343-I350 WeakPolarHBondContact O-CD1 3.31Å
344	A	98.6	Very high	98.4	Very high	6 Å²	6	16.1 Å²	16.1	5%	0.05	11%	0.107	C	C	.	.	S	Bend	trans	-147.2	157.4	-179.1	0	0	0	0	0	110.6	D71 W72 F339 K348 I350	D71-A344 CarbonylContact O-C 3.55Å; D71-A344 WeakPolarHBondContact O-CA 3.45Å; D71-A344 PolarHBondContact O-N 2.86Å; W72-A344 HydrophobicContact CD2-CB 4.33Å; W72-A344 HydrophobicContact CE3-CB 3.87Å; W72-A344 HydrophobicContact CH2-CB 4.2Å; W72-A344 HydrophobicContact CZ3-CB 3.79Å; F339-A344 WeakPolarHBondContact CA-O 3.43Å; F339-A344 WeakPolarHBondContact CB-O 3.34Å; A344-K348 HydrophobicContact CB-CB 4.02Å; A344-I350 HydrophobicContact CB-CD1 3.99Å; A344-I350 HydrophobicContact CB-CG1 4.09Å
345	A	98.4	Very high	98.4	Very high	5 Å²	5	16.1 Å²	16.1	4%	0.041	11%	0.107	C	C	.	.	S	Bend	trans	-58.4	155.5	172.4	0	0	0	0	0	112.1	M66 D71 W72 F339 G347 K348	M66-A345 VanDerWaalsContact O-CB 3.29Å; M66-A345 WeakPolarHBondContact O-CB 3.47Å; D71-A345 HydrophobicContact CB-CB 4.35Å; W72-A345 HydrophobicContact CZ2-CB 4.23Å; F339-A345 WeakPolarHBondContact CB-O 3.36Å; A345-G347 PolarHBondContact O-N 3.08Å; A345-K348 HydrophobicContact CB-CG 4.29Å; A345-K348 VanDerWaalsContact O-CB 3.26Å; A345-K348 WeakPolarHBondContact O-CB 3.48Å; A345-K348 PolarHBondContact O-N 3.14Å
346	A	97.7	Very high	98.4	Very high	91 Å²	91	17.7 Å²	17.7	75%	0.752	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	131	-177.1	0	0	0	0	0	112.7	K348	A346-K348 VanDerWaalsContact C-N 3.26Å; A346-K348 PolarHBondContact O-N 2.68Å
347	G	97.5	Very high	98.4	Very high	38 Å²	38	18.8 Å²	18.8	39%	0.392	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	0.9	-178.4	0	0	0	0	0	115.2	F339 A345 Y349	F339-G347 VanDerWaalsContact CD1-N 3.3Å; A345-G347 PolarHBondContact O-N 3.08Å; G347-Y349 WeakPolarHBondContact O-CE2 3.45Å
348	K	98.6	Very high	98.3	Very high	16 Å²	16	21.8 Å²	21.8	7%	0.07	14%	0.138	C	C	.	.			trans	-101	148.1	177.4	-57.8	-66.2	-175.2	172.1	0	112.4	S65 W72 L304 S305 S338 F339 A344 A345 A346 E377	S65-K348 WeakPolarHBondContact O-CE 3.33Å; S65-K348 PolarHBondContact O-NZ 2.78Å; W72-K348 HydrophobicContact CH2-CB 3.66Å; W72-K348 HydrophobicContact CH2-CG 3.94Å; W72-K348 HydrophobicContact CZ2-CB 3.96Å; W72-K348 HydrophobicContact CZ2-CG 3.82Å; L304-K348 WeakPolarHBondContact O-CA 2.9Å; S305-K348 PolarHBondContact OG-NZ 2.85Å; S338-K348 WeakPolarHBondContact CA-O 3.32Å; S338-K348 WeakPolarHBondContact CB-O 3.37Å; F339-K348 PolarHBondContact N-O 3.11Å; A344-K348 HydrophobicContact CB-CB 4.02Å; A345-K348 HydrophobicContact CB-CG 4.29Å; A345-K348 VanDerWaalsContact O-CB 3.26Å; A345-K348 WeakPolarHBondContact O-CB 3.48Å; A345-K348 PolarHBondContact O-N 3.14Å; A346-K348 VanDerWaalsContact C-N 3.26Å; A346-K348 PolarHBondContact O-N 2.68Å; K348-E377 VanDerWaalsContact NZ-CD 3.28Å; K348-E377 IonicContact NZ-OE1 3.87Å; K348-E377 PolarHBondContact NZ-OE1 2.96Å; K348-E377 VanDerWaalsContact NZ-OE1 3.08Å; K348-E377 IonicContact NZ-OE2 2.93Å; K348-E377 PolarHBondContact NZ-OE2 3.45Å
349	Y	98.8	Very high	98.2	Very high	23 Å²	23	25 Å²	25	9%	0.09	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.1	179.6	-52.2	-105.3	0	0	0	109.1	I303 L304 H306 P307 M336 F339 G347	I303-Y349 WeakPolarHBondContact CA-O 3.33Å; L304-Y349 PolarHBondContact N-O 3.16Å; L304-Y349 PolarHBondContact O-N 3.11Å; H306-Y349 VanDerWaalsContact C-CD2 3.5Å; H306-Y349 VanDerWaalsContact C-CE2 3.45Å; H306-Y349 VanDerWaalsContact O-CD2 3.31Å; H306-Y349 WeakPolarHBondContact O-CD2 3.48Å; P307-Y349 HydrophobicContact CB-CE1 4.12Å; M336-Y349 HydrophobicContact CE-CD1 4.2Å; M336-Y349 HydrophobicContact SD-CD1 3.63Å; M336-Y349 HydrophobicContact SD-CG 4.42Å; F339-Y349 HydrophobicContact CE1-CE1 4.34Å; F339-Y349 HydrophobicContact CE1-CE2 4.44Å; F339-Y349 AromaticContact CE1-CZ 3.98Å; G347-Y349 WeakPolarHBondContact O-CE2 3.45Å
350	I	98.9	Very high	98.2	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	108.3	174.1	-57.6	168.5	0	0	0	106.2	W72 V74 I301 M336 I337 V343 A344 I352	W72-I350 HydrophobicContact CE3-CD1 4.01Å; W72-I350 HydrophobicContact CE3-CG1 4.25Å; W72-I350 HydrophobicContact CZ3-CD1 4.13Å; W72-I350 HydrophobicContact CZ3-CG1 3.84Å; V74-I350 HydrophobicContact CG1-CD1 4.44Å; V74-I350 HydrophobicContact CG1-CG2 4.31Å; V74-I350 HydrophobicContact CG2-CD1 3.87Å; I301-I350 HydrophobicContact CG2-CG2 3.88Å; M336-I350 VanDerWaalsContact CA-O 3.32Å; M336-I350 WeakPolarHBondContact CA-O 3.43Å; I337-I350 PolarHBondContact N-O 3.01Å; I337-I350 PolarHBondContact O-N 2.89Å; V343-I350 HydrophobicContact CB-CD1 4.22Å; V343-I350 HydrophobicContact CG2-CD1 4.06Å; V343-I350 VanDerWaalsContact O-CD1 3.27Å; V343-I350 WeakPolarHBondContact O-CD1 3.31Å; A344-I350 HydrophobicContact CB-CD1 3.99Å; A344-I350 HydrophobicContact CB-CG1 4.09Å; I350-I352 HydrophobicContact CG2-CD1 3.77Å; I350-I352 HydrophobicContact CG2-CG1 3.78Å
351	A	98.8	Very high	98.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.5	172.5	0	0	0	0	0	108.9	C302 L304 I308 V334 C335 M336 L373	C302-A351 WeakPolarHBondContact CA-O 3.41Å; C302-A351 HydrophobicContact CB-CB 4.45Å; C302-A351 WeakPolarHBondContact CB-O 3.4Å; C302-A351 PolarHBondContact N-O 3.22Å; C302-A351 PolarHBondContact O-N 3.34Å; L304-A351 HydrophobicContact CD1-CB 3.88Å; L304-A351 HydrophobicContact CG-CB 4.38Å; I308-A351 HydrophobicContact CD1-CB 4.36Å; V334-A351 HydrophobicContact CG1-CB 4.39Å; C335-A351 CarbonylContact O-C 3.56Å; C335-A351 WeakPolarHBondContact O-CA 3.36Å; M336-A351 HydrophobicContact CB-CB 4.25Å; M336-A351 HydrophobicContact CG-CB 4.19Å; A351-L373 HydrophobicContact CB-CD1 3.83Å; A351-L373 HydrophobicContact CB-CD2 3.74Å; A351-L373 HydrophobicContact CB-CG 4.4Å
352	I	98.7	Very high	98.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	114.8	-176.4	-54.3	-178.8	0	0	0	107.9	D75 P78 V300 I301 V334 C335 I350	D75-I352 WeakPolarHBondContact O-CD1 3.23Å; P78-I352 HydrophobicContact CB-CD1 4.02Å; P78-I352 HydrophobicContact CG-CB 3.67Å; P78-I352 HydrophobicContact CG-CD1 3.43Å; P78-I352 VanDerWaalsContact CG-CD1 3.43Å; P78-I352 HydrophobicContact CG-CG1 4Å; P78-I352 HydrophobicContact CG-CG2 3.71Å; V300-I352 WeakPolarHBondContact O-CA 3.42Å; I301-I352 HydrophobicContact CB-CG1 4.29Å; I301-I352 HydrophobicContact CG1-CD1 3.98Å; I301-I352 HydrophobicContact CG1-CG1 4.03Å; I301-I352 HydrophobicContact CG1-CG2 4.12Å; I301-I352 HydrophobicContact CG2-CD1 4.25Å; I301-I352 HydrophobicContact CG2-CG1 4.11Å; V334-I352 WeakPolarHBondContact CA-O 3.28Å; C335-I352 PolarHBondContact N-O 2.9Å; C335-I352 VanDerWaalsContact N-O 3.11Å; C335-I352 PolarHBondContact O-N 3.34Å; I350-I352 HydrophobicContact CG2-CD1 3.77Å; I350-I352 HydrophobicContact CG2-CG1 3.78Å
353	A	98.6	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	136.8	176.7	0	0	0	0	0	110.2	R299 V300 Y333 V334 I366 A369 M370	R299-A353 CarbonylContact C-O 3.29Å; R299-A353 WeakPolarHBondContact CA-O 3.45Å; V300-A353 PolarHBondContact N-O 3.29Å; V300-A353 PolarHBondContact O-N 3.22Å; Y333-A353 CarbonylContact O-C 3.46Å; Y333-A353 VanDerWaalsContact O-CA 3.25Å; Y333-A353 WeakPolarHBondContact O-CA 3.42Å; V334-A353 HydrophobicContact CG2-CB 4.06Å; A353-I366 HydrophobicContact CB-CD1 3.89Å; A353-I366 HydrophobicContact CB-CG1 3.58Å; A353-A369 HydrophobicContact CB-CB 3.84Å; A353-M370 HydrophobicContact CB-CE 3.34Å
354	S	98.4	Very high	97.9	Very high	5 Å²	5	44.2 Å²	44.2	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.4	178.5	60.7	0	0	0	0	114	I298 I332 Y333 A406	I298-S354 WeakPolarHBondContact O-CA 3.44Å; I298-S354 WeakPolarHBondContact O-CB 3.37Å; I332-S354 WeakPolarHBondContact CA-O 3.46Å; Y333-S354 PolarHBondContact N-O 3.13Å; Y333-S354 PolarHBondContact O-N 2.93Å; S354-A406 PolarHBondContact OG-O 2.9Å
355	T	98	Very high	97.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	155.9	174.3	178.7	0	0	0	0	110.3	V297 I298 R328 D331 I332 E365 I366	V297-T355 WeakPolarHBondContact CA-O 3.34Å; I298-T355 HydrophobicContact CG2-CG2 3.49Å; I298-T355 VanDerWaalsContact CG2-CG2 3.49Å; I298-T355 PolarHBondContact N-O 2.91Å; I298-T355 PolarHBondContact O-N 3.33Å; R328-T355 PolarHBondContact NH2-OG1 3.43Å; R328-T355 VanDerWaalsContact NH2-OG1 3.15Å; D331-T355 PolarHBondContact O-OG1 2.95Å; I332-T355 HydrophobicContact CG1-CG2 4.32Å; T355-E365 HydrophobicContact CG2-CB 4.49Å; T355-I366 HydrophobicContact CG2-CD1 3.71Å
356	T	97.6	Very high	97.8	Very high	32 Å²	32	44.5 Å²	44.5	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	137.8	161.6	-54.7	0	0	0	0	109.4	Q296 R328	Q296-T356 WeakPolarHBondContact O-CA 3.31Å; R328-T356 PolarHBondContact NH2-O 3.11Å
357	V	98.3	Very high	97.8	Very high	24 Å²	24	45.4 Å²	45.4	15%	0.145	23%	0.234	C	C	.	.			trans	-77.3	130.6	178.2	178.6	0	0	0	0	110.4	Q296 I298 T359 P362 I383	Q296-V357 HydrophobicContact CB-CB 3.98Å; Q296-V357 HydrophobicContact CB-CG2 3.83Å; Q296-V357 PolarHBondContact O-N 3.04Å; I298-V357 HydrophobicContact CB-CG2 4.26Å; I298-V357 HydrophobicContact CG2-CG2 4.34Å; V357-T359 VanDerWaalsContact CG1-O 3.28Å; V357-T359 WeakPolarHBondContact CG1-O 3.38Å; V357-P362 HydrophobicContact CG1-CB 4.16Å; V357-P362 HydrophobicContact CG1-CG 3.71Å; V357-P362 HydrophobicContact CG2-CB 4.08Å; V357-P362 HydrophobicContact CG2-CG 4.29Å; V357-I383 HydrophobicContact CG2-CG2 4.41Å
358	E	97.4	Very high	97.8	Very high	65 Å²	65	45 Å²	45	30%	0.304	22%	0.224	S	C	.	.			trans	-116.8	-17.2	179.3	-69.4	177.9	-164.3	0	0	113.5	R328 K329 H330 E365	R328-E358 IonicContact CZ-OE1 3.19Å; R328-E358 IonicContact CZ-OE2 2.68Å; R328-E358 IonicContact NE-OE1 2.79Å; R328-E358 IonicContact NH1-OE2 3.9Å; R328-E358 IonicContact NH2-OE1 2.73Å; R328-E358 PolarHBondContact NH2-OE1 3.47Å; K329-E358 VanDerWaalsContact CA-OE1 3.32Å; K329-E358 WeakPolarHBondContact CA-OE1 3.49Å; K329-E358 WeakPolarHBondContact CB-OE1 3.3Å; K329-E358 PolarHBondContact N-OE1 2.76Å; K329-E358 PolarHBondContact N-OE2 2.58Å; K329-E358 VanDerWaalsContact N-OE2 3.16Å; H330-E358 IonicContact CE1-OE1 3.72Å; H330-E358 IonicContact CG-OE1 3.96Å; H330-E358 PolarHBondContact N-OE1 2.89Å; H330-E358 IonicContact ND1-OE1 3.48Å; H330-E358 PolarHBondContact ND1-OE1 3.39Å; E358-E365 PolarHBondContact N-OE1 3.22Å; E358-E365 PolarHBondContact N-OE2 3.45Å
359	T	97.2	Very high	97.8	Very high	67 Å²	67	44.2 Å²	44.2	41%	0.411	22%	0.221	S	C	.	.	S	Bend	trans	-133.3	174.2	-172.3	80.6	0	0	0	0	111.8	V357 E361 E365	V357-T359 VanDerWaalsContact CG1-O 3.28Å; V357-T359 WeakPolarHBondContact CG1-O 3.38Å; T359-E361 PolarHBondContact O-N 3.32Å; T359-E361 PolarHBondContact OG1-N 2.84Å; T359-E361 VanDerWaalsContact OG1-N 3.12Å; T359-E365 WeakPolarHBondContact CA-OE1 3.18Å; T359-E365 VanDerWaalsContact CB-OE1 3.26Å; T359-E365 WeakPolarHBondContact CB-OE1 3.28Å; T359-E365 HydrophobicContact CG2-CG 4.25Å; T359-E365 PolarHBondContact N-OE1 3.1Å; T359-E365 PolarHBondContact OG1-OE1 3Å
360	N	96.8	Very high	97.8	Very high	169 Å²	169	43.9 Å²	43.9	90%	0.904	22%	0.22	S	C	*	.	S	Bend	trans	-80.9	1.8	174.7	-62.8	-27.6	0	0	0	113.3
361	E	96.9	Very high	97.8	Very high	107 Å²	107	48.1 Å²	48.1	50%	0.5	24%	0.243	S	C	.	.			trans	-126	68	178.8	-59.8	-167.1	92	0	0	111.4	T359 E363 K364	T359-E361 PolarHBondContact O-N 3.32Å; T359-E361 PolarHBondContact OG1-N 2.84Å; T359-E361 VanDerWaalsContact OG1-N 3.12Å; E361-E363 VanDerWaalsContact C-N 3.29Å; E361-E363 PolarHBondContact O-N 3.32Å; E361-E363 VanDerWaalsContact O-N 3.14Å; E361-K364 HydrophobicContact CB-CB 4.34Å; E361-K364 HydrophobicContact CB-CD 3.99Å; E361-K364 HydrophobicContact CB-CG 4.21Å; E361-K364 HydrophobicContact CG-CD 4.5Å; E361-K364 WeakPolarHBondContact O-CB 3.34Å; E361-K364 PolarHBondContact O-N 3.22Å; E361-K364 WeakPolarHBondContact OE1-CE 3.33Å; E361-K364 IonicContact OE1-NZ 2.81Å; E361-K364 PolarHBondContact OE1-NZ 3.14Å; E361-K364 IonicContact OE2-NZ 2.65Å; E361-K364 PolarHBondContact OE2-NZ 3.29Å
362	P	97.3	Very high	97.7	Very high	21 Å²	21	49.5 Å²	49.5	14%	0.136	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-32.9	-167.5	-26.9	38.3	0	0	0	114.5	I298 V357 K364 E365 I383	I298-P362 HydrophobicContact CB-CB 4.2Å; I298-P362 HydrophobicContact CD1-CB 3.94Å; I298-P362 WeakPolarHBondContact CD1-O 3.35Å; I298-P362 HydrophobicContact CG2-CB 4.46Å; V357-P362 HydrophobicContact CG1-CB 4.16Å; V357-P362 HydrophobicContact CG1-CG 3.71Å; V357-P362 HydrophobicContact CG2-CB 4.08Å; V357-P362 HydrophobicContact CG2-CG 4.29Å; P362-K364 VanDerWaalsContact C-N 3.28Å; P362-K364 PolarHBondContact O-N 3.34Å; P362-E365 VanDerWaalsContact O-CB 3.3Å; P362-E365 WeakPolarHBondContact O-CB 3.46Å; P362-E365 PolarHBondContact O-N 3.25Å; P362-E365 VanDerWaalsContact O-N 3.17Å; P362-I383 HydrophobicContact CB-CD1 3.99Å; P362-I383 HydrophobicContact CB-CG1 4.41Å; P362-I383 HydrophobicContact CG-CD1 3.86Å
363	E	97	Very high	97.7	Very high	124 Å²	124	49.5 Å²	49.5	58%	0.579	25%	0.25	S	S	*	.	H	α-helix	trans	-67.5	-25.9	177.4	-69.8	-175.2	-126.1	0	0	113.3	I298 E361 E365 I366 V381	I298-E363 HydrophobicContact CD1-CB 4.45Å; I298-E363 HydrophobicContact CD1-CG 3.93Å; E361-E363 VanDerWaalsContact C-N 3.29Å; E361-E363 PolarHBondContact O-N 3.32Å; E361-E363 VanDerWaalsContact O-N 3.14Å; E363-E365 VanDerWaalsContact C-N 3.31Å; E363-I366 WeakPolarHBondContact O-CG2 3.28Å; E363-V381 HydrophobicContact CG-CG1 3.94Å
364	K	97.2	Very high	97.7	Very high	133 Å²	133	54 Å²	54	58%	0.578	27%	0.271	S	S	*	.	H	α-helix	trans	-73.1	-28.7	174.1	-68.7	-175.3	-179.8	170.3	0	111.7	E361 P362 I366 K367	E361-K364 HydrophobicContact CB-CB 4.34Å; E361-K364 HydrophobicContact CB-CD 3.99Å; E361-K364 HydrophobicContact CB-CG 4.21Å; E361-K364 HydrophobicContact CG-CD 4.5Å; E361-K364 WeakPolarHBondContact O-CB 3.34Å; E361-K364 PolarHBondContact O-N 3.22Å; E361-K364 WeakPolarHBondContact OE1-CE 3.33Å; E361-K364 IonicContact OE1-NZ 2.81Å; E361-K364 PolarHBondContact OE1-NZ 3.14Å; E361-K364 IonicContact OE2-NZ 2.65Å; E361-K364 PolarHBondContact OE2-NZ 3.29Å; P362-K364 VanDerWaalsContact C-N 3.28Å; P362-K364 PolarHBondContact O-N 3.34Å; K364-I366 VanDerWaalsContact C-N 3.29Å; K364-I366 PolarHBondContact O-N 3.48Å; K364-K367 VanDerWaalsContact O-CB 3.3Å; K364-K367 WeakPolarHBondContact O-CB 3.34Å; K364-K367 PolarHBondContact O-N 3.39Å
365	E	97.9	Very high	97.7	Very high	13 Å²	13	58.2 Å²	58.2	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-66.1	-33.1	-179	-61.6	-179	-143.5	0	0	112.3	R328 I332 T355 E358 T359 P362 E363 K367	R328-E365 IonicContact CZ-OE2 2.93Å; R328-E365 VanDerWaalsContact NH1-CB 3.34Å; R328-E365 VanDerWaalsContact NH1-CG 3.34Å; R328-E365 IonicContact NH1-OE2 2.61Å; R328-E365 PolarHBondContact NH1-OE2 3.15Å; R328-E365 IonicContact NH2-OE2 3.69Å; R328-E365 PolarHBondContact NH2-OE2 2.82Å; I332-E365 VanDerWaalsContact CD1-O 3.27Å; I332-E365 WeakPolarHBondContact CD1-O 3.28Å; T355-E365 HydrophobicContact CG2-CB 4.49Å; E358-E365 PolarHBondContact N-OE1 3.22Å; E358-E365 PolarHBondContact N-OE2 3.45Å; T359-E365 WeakPolarHBondContact CA-OE1 3.18Å; T359-E365 VanDerWaalsContact CB-OE1 3.26Å; T359-E365 WeakPolarHBondContact CB-OE1 3.28Å; T359-E365 HydrophobicContact CG2-CG 4.25Å; T359-E365 PolarHBondContact N-OE1 3.1Å; T359-E365 PolarHBondContact OG1-OE1 3Å; P362-E365 VanDerWaalsContact O-CB 3.3Å; P362-E365 WeakPolarHBondContact O-CB 3.46Å; P362-E365 PolarHBondContact O-N 3.25Å; P362-E365 VanDerWaalsContact O-N 3.17Å; E363-E365 VanDerWaalsContact C-N 3.31Å; E365-K367 VanDerWaalsContact C-N 3.32Å
366	I	96.5	Very high	97.7	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.015	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	1.2	-177.8	-150.7	88	0	0	0	112.9	I298 V300 I332 A353 T355 E363 K364 P368 A369 M370	I298-I366 HydrophobicContact CD1-CG2 4.46Å; I298-I366 HydrophobicContact CG2-CD1 4.46Å; V300-I366 HydrophobicContact CG2-CG2 3.97Å; I332-I366 HydrophobicContact CG2-CD1 3.46Å; I332-I366 VanDerWaalsContact CG2-CD1 3.46Å; I332-I366 HydrophobicContact CG2-CG1 4.19Å; A353-I366 HydrophobicContact CB-CD1 3.89Å; A353-I366 HydrophobicContact CB-CG1 3.58Å; T355-I366 HydrophobicContact CG2-CD1 3.71Å; E363-I366 WeakPolarHBondContact O-CG2 3.28Å; K364-I366 VanDerWaalsContact C-N 3.29Å; K364-I366 PolarHBondContact O-N 3.48Å; I366-P368 VanDerWaalsContact C-CD 3.44Å; I366-A369 HydrophobicContact CG1-CB 4.2Å; I366-A369 WeakPolarHBondContact O-CB 3.49Å; I366-A369 PolarHBondContact O-N 3.07Å; I366-M370 HydrophobicContact CG1-CE 4.27Å; I366-M370 HydrophobicContact CG2-CE 4.37Å; I366-M370 HydrophobicContact CG2-CG 3.9Å; I366-M370 PolarHBondContact O-N 3.26Å; I366-M370 VanDerWaalsContact O-N 3.09Å
367	K	97.7	Very high	97.7	Very high	111 Å²	111	60.8 Å²	60.8	48%	0.483	31%	0.309	S	S	.	.	H	α-helix	trans	-51.7	-44.1	-177.6	-169.9	-166.4	-173	-44.6	0	113.8	K364 E365 A369 M370 D371	K364-K367 VanDerWaalsContact O-CB 3.3Å; K364-K367 WeakPolarHBondContact O-CB 3.34Å; K364-K367 PolarHBondContact O-N 3.39Å; E365-K367 VanDerWaalsContact C-N 3.32Å; K367-A369 PolarHBondContact O-N 3.16Å; K367-M370 PolarHBondContact O-N 2.86Å; K367-D371 IonicContact NZ-OD1 2.81Å; K367-D371 PolarHBondContact NZ-OD1 3.4Å; K367-D371 IonicContact NZ-OD2 2.66Å; K367-D371 PolarHBondContact NZ-OD2 2.85Å; K367-D371 VanDerWaalsContact O-CG 3.32Å; K367-D371 PolarHBondContact O-N 2.67Å
368	P	98.1	Very high	97.7	Very high	28 Å²	28	62 Å²	62	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-32.7	178.8	-25.6	36.2	0	0	0	113.5	I321 V326 I332 I366 L372	I321-P368 HydrophobicContact CD1-CB 4.41Å; V326-P368 HydrophobicContact CB-CG 4.28Å; V326-P368 HydrophobicContact CG1-CB 3.8Å; V326-P368 HydrophobicContact CG1-CG 3.73Å; I332-P368 HydrophobicContact CD1-CB 4.49Å; I332-P368 HydrophobicContact CD1-CG 4.27Å; I366-P368 VanDerWaalsContact C-CD 3.44Å; P368-L372 WeakPolarHBondContact O-CG 3.29Å
369	A	98.3	Very high	97.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-74.8	-44.1	173.2	0	0	0	0	0	111.3	I321 I332 V334 A353 I366 K367 D371 L372 L373	I321-A369 HydrophobicContact CD1-CB 3.9Å; I332-A369 HydrophobicContact CG2-CB 3.89Å; V334-A369 HydrophobicContact CG2-CB 3.54Å; A353-A369 HydrophobicContact CB-CB 3.84Å; I366-A369 HydrophobicContact CG1-CB 4.2Å; I366-A369 WeakPolarHBondContact O-CB 3.49Å; I366-A369 PolarHBondContact O-N 3.07Å; K367-A369 PolarHBondContact O-N 3.16Å; A369-D371 VanDerWaalsContact C-N 3.28Å; A369-D371 PolarHBondContact O-N 3.15Å; A369-L372 WeakPolarHBondContact O-CB 3.31Å; A369-L372 PolarHBondContact O-N 3.47Å; A369-L372 VanDerWaalsContact O-N 3.07Å; A369-L373 WeakPolarHBondContact O-CG 3.14Å
370	M	98.4	Very high	97.8	Very high	16 Å²	16	59.4 Å²	59.4	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-58.4	-41	179.4	-63.9	-61.5	99.9	0	0	112.3	V300 A353 I366 K367 L372 L373 E374 I376	V300-M370 HydrophobicContact CB-CE 4.17Å; V300-M370 HydrophobicContact CB-SD 4.46Å; V300-M370 HydrophobicContact CG1-CE 4.26Å; V300-M370 HydrophobicContact CG1-SD 3.99Å; A353-M370 HydrophobicContact CB-CE 3.34Å; I366-M370 HydrophobicContact CG1-CE 4.27Å; I366-M370 HydrophobicContact CG2-CE 4.37Å; I366-M370 HydrophobicContact CG2-CG 3.9Å; I366-M370 PolarHBondContact O-N 3.26Å; I366-M370 VanDerWaalsContact O-N 3.09Å; K367-M370 PolarHBondContact O-N 2.86Å; M370-L372 PolarHBondContact O-N 3.26Å; M370-L373 HydrophobicContact CE-CD1 3.84Å; M370-L373 PolarHBondContact O-N 3.3Å; M370-E374 PolarHBondContact O-N 3.39Å; M370-I376 HydrophobicContact SD-CD1 3.97Å
371	D	98	Very high	97.8	Very high	92 Å²	92	53.7 Å²	53.7	49%	0.492	27%	0.266	S	S	.	.	H	α-helix	trans	-60.6	-27	178.7	-68	-13.8	0	0	0	112.7	K367 A369 L373	K367-D371 IonicContact NZ-OD1 2.81Å; K367-D371 PolarHBondContact NZ-OD1 3.4Å; K367-D371 IonicContact NZ-OD2 2.66Å; K367-D371 PolarHBondContact NZ-OD2 2.85Å; K367-D371 VanDerWaalsContact O-CG 3.32Å; K367-D371 PolarHBondContact O-N 2.67Å; A369-D371 VanDerWaalsContact C-N 3.28Å; A369-D371 PolarHBondContact O-N 3.15Å; D371-L373 VanDerWaalsContact C-N 3.34Å
372	L	98.1	Very high	97.9	Very high	29 Å²	29	50 Å²	50	15%	0.152	25%	0.252	C	S	.	.	H	α-helix	trans	-77.2	-20.4	175.9	-61.4	171.1	0	0	0	113.1	Y111 I116 I319 I321 P368 A369 M370	Y111-L372 HydrophobicContact CD2-CD1 3.98Å; Y111-L372 HydrophobicContact CD2-CD2 4.32Å; Y111-L372 HydrophobicContact CE2-CD1 4.4Å; Y111-L372 HydrophobicContact CE2-CD2 4.26Å; I116-L372 HydrophobicContact CG2-CD1 3.79Å; I116-L372 HydrophobicContact CG2-CD2 4.07Å; I319-L372 HydrophobicContact CG2-CD1 4.47Å; I321-L372 HydrophobicContact CD1-CD1 4.24Å; P368-L372 WeakPolarHBondContact O-CG 3.29Å; A369-L372 WeakPolarHBondContact O-CB 3.31Å; A369-L372 PolarHBondContact O-N 3.47Å; A369-L372 VanDerWaalsContact O-N 3.07Å; M370-L372 PolarHBondContact O-N 3.26Å
373	L	98.4	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-101.1	-14	-170.3	-59.4	-177.6	0	0	0	113.4	C302 L304 H306 I308 V334 A351 A369 M370 D371 I376	C302-L373 HydrophobicContact CB-CD1 4.12Å; L304-L373 HydrophobicContact CD1-CD2 4.29Å; L304-L373 HydrophobicContact CD2-CB 4.26Å; L304-L373 WeakPolarHBondContact CD2-O 3.16Å; H306-L373 PolarHBondContact CE1-O 2.94Å; I308-L373 HydrophobicContact CD1-CD2 3.42Å; I308-L373 VanDerWaalsContact CD1-CD2 3.42Å; I308-L373 HydrophobicContact CG1-CD2 3.65Å; I308-L373 HydrophobicContact CG2-CD2 4.48Å; V334-L373 HydrophobicContact CG1-CD1 4.48Å; V334-L373 HydrophobicContact CG1-CD2 4.23Å; A351-L373 HydrophobicContact CB-CD1 3.83Å; A351-L373 HydrophobicContact CB-CD2 3.74Å; A351-L373 HydrophobicContact CB-CG 4.4Å; A369-L373 WeakPolarHBondContact O-CG 3.14Å; M370-L373 HydrophobicContact CE-CD1 3.84Å; M370-L373 PolarHBondContact O-N 3.3Å; D371-L373 VanDerWaalsContact C-N 3.34Å; L373-I376 HydrophobicContact CB-CD1 3.91Å; L373-I376 HydrophobicContact CB-CG1 3.93Å
374	E	97.8	Very high	97.9	Very high	94 Å²	94	48.5 Å²	48.5	44%	0.439	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-63.2	144.5	-178.4	-68	-64.3	167.9	0	0	112.3	M370 I376 K379	M370-E374 PolarHBondContact O-N 3.39Å; E374-I376 PolarHBondContact OE2-N 3.18Å; E374-K379 IonicContact OE1-NZ 3.57Å; E374-K379 PolarHBondContact OE1-NZ 2.97Å
375	P	98.3	Very high	97.9	Very high	94 Å²	94	44.2 Å²	44.2	61%	0.61	23%	0.232	S	C	*	.	S	Bend	cis	-77.2	127.6	-2.1	30.4	-36.2	0	0	0	114.8	H306	H306-P375 VanDerWaalsContact NE2-CD 3.26Å; H306-P375 WeakPolarHBondContact NE2-CD 3.36Å; H306-P375 PolarHBondContact NE2-O 3.1Å
376	I	98.6	Very high	98	Very high	26 Å²	26	44.6 Å²	44.6	13%	0.133	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-90.5	128.3	177.2	-61	163.2	0	0	0	111	C302 L304 M370 L373 E374 Q378 K379	C302-I376 HydrophobicContact CB-CD1 4.32Å; C302-I376 HydrophobicContact CB-CG1 4.32Å; C302-I376 HydrophobicContact CB-CG2 3.83Å; L304-I376 HydrophobicContact CD2-CB 4.28Å; L304-I376 HydrophobicContact CD2-CG1 3.8Å; L304-I376 HydrophobicContact CD2-CG2 4.32Å; M370-I376 HydrophobicContact SD-CD1 3.97Å; L373-I376 HydrophobicContact CB-CD1 3.91Å; L373-I376 HydrophobicContact CB-CG1 3.93Å; E374-I376 PolarHBondContact OE2-N 3.18Å; I376-Q378 VanDerWaalsContact CG2-O 3.32Å; I376-Q378 WeakPolarHBondContact CG2-O 3.36Å; I376-K379 HydrophobicContact CB-CG 4.41Å; I376-K379 HydrophobicContact CD1-CD 4.19Å; I376-K379 HydrophobicContact CD1-CG 4.46Å; I376-K379 HydrophobicContact CG2-CD 4.31Å; I376-K379 HydrophobicContact CG2-CG 3.56Å
377	E	97.7	Very high	98.1	Very high	61 Å²	61	46.7 Å²	46.7	29%	0.285	24%	0.243	S	C	.	.	S	Bend	trans	-77.6	-40.1	-179.7	-167.9	176.9	172.5	0	0	112.1	S65 M66 I303 S305 K348	S65-E377 PolarHBondContact OG-OE1 3.39Å; M66-E377 HydrophobicContact CE-CB 4.22Å; M66-E377 VanDerWaalsContact CE-CD 3.48Å; M66-E377 HydrophobicContact CE-CG 3.53Å; M66-E377 WeakPolarHBondContact CE-OE1 3.4Å; M66-E377 HydrophobicContact SD-CG 4.43Å; I303-E377 HydrophobicContact CG2-CB 4.44Å; I303-E377 WeakPolarHBondContact O-CB 3.48Å; I303-E377 PolarHBondContact O-N 2.92Å; S305-E377 PolarHBondContact OG-OE2 2.8Å; K348-E377 VanDerWaalsContact NZ-CD 3.28Å; K348-E377 IonicContact NZ-OE1 3.87Å; K348-E377 PolarHBondContact NZ-OE1 2.96Å; K348-E377 VanDerWaalsContact NZ-OE1 3.08Å; K348-E377 IonicContact NZ-OE2 2.93Å; K348-E377 PolarHBondContact NZ-OE2 3.45Å
378	Q	98.1	Very high	98.1	Very high	48 Å²	48	44 Å²	44	22%	0.224	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	145.6	174.3	179.8	60.1	-35.6	0	0	112.3	M66 C302 I303 I376 F380	M66-Q378 HydrophobicContact CE-CB 3.86Å; C302-Q378 WeakPolarHBondContact CA-O 3.3Å; I303-Q378 HydrophobicContact CB-CB 4.41Å; I303-Q378 HydrophobicContact CD1-CB 4.45Å; I303-Q378 PolarHBondContact N-O 2.9Å; I376-Q378 VanDerWaalsContact CG2-O 3.32Å; I376-Q378 WeakPolarHBondContact CG2-O 3.36Å; Q378-F380 HydrophobicContact CB-CE2 4.28Å; Q378-F380 HydrophobicContact CG-CD2 4.32Å; Q378-F380 HydrophobicContact CG-CE1 4.25Å; Q378-F380 HydrophobicContact CG-CE2 3.59Å; Q378-F380 HydrophobicContact CG-CZ 3.55Å
379	K	97.7	Very high	98.1	Very high	77 Å²	77	43.1 Å²	43.1	34%	0.335	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.9	177.2	-60	-179.2	-159	-164.4	0	111.2	V300 I301 E374 I376	V300-K379 HydrophobicContact CG1-CB 4.35Å; I301-K379 CarbonylContact O-C 3.21Å; I301-K379 WeakPolarHBondContact O-CA 3.45Å; E374-K379 IonicContact OE1-NZ 3.57Å; E374-K379 PolarHBondContact OE1-NZ 2.97Å; I376-K379 HydrophobicContact CB-CG 4.41Å; I376-K379 HydrophobicContact CD1-CD 4.19Å; I376-K379 HydrophobicContact CD1-CG 4.46Å; I376-K379 HydrophobicContact CG2-CD 4.31Å; I376-K379 HydrophobicContact CG2-CG 3.56Å
380	F	98.3	Very high	98.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	112.3	171.5	-47.4	-103.1	0	0	0	108.1	L49 L52 Y53 F56 L58 V300 I301 I303 Q378	L49-F380 HydrophobicContact CD1-CZ 4.48Å; L52-F380 HydrophobicContact CD2-CD1 4.03Å; L52-F380 HydrophobicContact CD2-CD2 4.1Å; L52-F380 HydrophobicContact CD2-CE1 3.72Å; L52-F380 HydrophobicContact CD2-CE2 3.83Å; L52-F380 HydrophobicContact CD2-CG 4.21Å; L52-F380 HydrophobicContact CD2-CZ 3.63Å; L52-F380 HydrophobicContact CG-CD1 3.92Å; L52-F380 HydrophobicContact CG-CE1 3.79Å; L52-F380 HydrophobicContact CG-CG 4.44Å; L52-F380 HydrophobicContact CG-CZ 4.23Å; Y53-F380 AromaticContact CD2-CE1 3.74Å; Y53-F380 HydrophobicContact CD2-CE1 3.74Å; Y53-F380 AromaticContact CD2-CZ 3.9Å; Y53-F380 HydrophobicContact CD2-CZ 3.9Å; Y53-F380 AromaticContact CE2-CE1 3.88Å; Y53-F380 HydrophobicContact CE2-CE1 3.88Å; Y53-F380 AromaticContact CE2-CZ 3.6Å; Y53-F380 HydrophobicContact CE2-CZ 3.6Å; Y53-F380 HydrophobicContact CG-CE1 4.4Å; F56-F380 HydrophobicContact CB-CD1 3.93Å; F56-F380 HydrophobicContact CD1-CB 3.69Å; F56-F380 HydrophobicContact CD2-CB 3.95Å; F56-F380 AromaticContact CD2-CD1 3.86Å; F56-F380 HydrophobicContact CD2-CD1 3.86Å; F56-F380 HydrophobicContact CD2-CG 4.31Å; F56-F380 HydrophobicContact CE1-CB 3.72Å; F56-F380 HydrophobicContact CE2-CB 4.01Å; F56-F380 HydrophobicContact CG-CB 3.79Å; F56-F380 AromaticContact CG-CD1 3.89Å; F56-F380 HydrophobicContact CG-CD1 3.89Å; F56-F380 HydrophobicContact CG-CG 4.34Å; F56-F380 HydrophobicContact CZ-CB 3.88Å; L58-F380 HydrophobicContact CD1-CD1 3.38Å; L58-F380 HydrophobicContact CD1-CE1 3.26Å; L58-F380 HydrophobicContact CD1-CG 4.42Å; L58-F380 HydrophobicContact CD1-CZ 4.21Å; V300-F380 WeakPolarHBondContact CA-O 3.5Å; I301-F380 HydrophobicContact CB-CB 4.14Å; I301-F380 HydrophobicContact CB-CD2 4.1Å; I301-F380 HydrophobicContact CG2-CD2 4.08Å; I301-F380 PolarHBondContact N-O 3.16Å; I301-F380 PolarHBondContact O-N 3.32Å; I303-F380 HydrophobicContact CD1-CE2 3.65Å; I303-F380 HydrophobicContact CD1-CZ 3.99Å; I303-F380 HydrophobicContact CG1-CE2 4Å; Q378-F380 HydrophobicContact CB-CE2 4.28Å; Q378-F380 HydrophobicContact CG-CD2 4.32Å; Q378-F380 HydrophobicContact CG-CE1 4.25Å; Q378-F380 HydrophobicContact CG-CE2 3.59Å; Q378-F380 HydrophobicContact CG-CZ 3.55Å
381	V	98	Very high	97.9	Very high	48 Å²	48	47.8 Å²	47.8	29%	0.291	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.2	-174.8	-177.9	0	0	0	0	109.5	F56 I298 V300 E363	F56-V381 WeakPolarHBondContact CD1-O 3.27Å; F56-V381 WeakPolarHBondContact CE1-O 3.1Å; I298-V381 HydrophobicContact CD1-CG1 4.25Å; I298-V381 HydrophobicContact CG1-CG1 4.47Å; V300-V381 HydrophobicContact CG1-CG2 4.11Å; V300-V381 HydrophobicContact CG2-CG1 4.36Å; V300-V381 HydrophobicContact CG2-CG2 4.19Å; E363-V381 HydrophobicContact CG-CG1 3.94Å
382	S	97.8	Very high	97.8	Very high	29 Å²	29	47 Å²	47	20%	0.203	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.1	172	57.1	0	0	0	0	110.5	I298 R299	I298-S382 CarbonylContact C-O 3.59Å; I298-S382 WeakPolarHBondContact CA-O 3.24Å; R299-S382 PolarHBondContact N-O 2.7Å; R299-S382 PolarHBondContact O-N 3.19Å; R299-S382 PolarHBondContact O-OG 2.7Å
383	I	98.1	Very high	97.7	Very high	78 Å²	78	45.6 Å²	45.6	40%	0.4	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	122	170.5	-60.3	162.5	0	0	0	106.5	Q296 V297 I298 V357 P362	Q296-I383 HydrophobicContact CB-CG2 4.3Å; V297-I383 WeakPolarHBondContact O-CA 3.36Å; I298-I383 HydrophobicContact CB-CG1 4.28Å; I298-I383 HydrophobicContact CG1-CG1 4.27Å; V357-I383 HydrophobicContact CG2-CG2 4.41Å; P362-I383 HydrophobicContact CB-CD1 3.99Å; P362-I383 HydrophobicContact CB-CG1 4.41Å; P362-I383 HydrophobicContact CG-CD1 3.86Å
384	S	97.3	Very high	97.5	Very high	36 Å²	36	50 Å²	50	25%	0.252	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.5	-176.3	-55.5	0	0	0	0	110.3	Q296 V297	Q296-S384 CarbonylContact C-O 3.57Å; Q296-S384 WeakPolarHBondContact CA-O 3.29Å; V297-S384 PolarHBondContact N-O 3.39Å; V297-S384 PolarHBondContact O-N 3.19Å
385	D	98.3	Very high	97.4	Very high	43 Å²	43	53.6 Å²	53.6	23%	0.23	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	139.7	169.8	-74.7	-1.8	0	0	0	109.9	K293 Q296 Y387	K293-D385 HydrophobicContact CD-CB 4.32Å; K293-D385 WeakPolarHBondContact CD-OD2 3.45Å; K293-D385 VanDerWaalsContact CE-OD1 3.27Å; K293-D385 WeakPolarHBondContact CE-OD1 3.49Å; K293-D385 WeakPolarHBondContact CE-OD2 3.47Å; K293-D385 IonicContact NZ-OD1 4Å; K293-D385 PolarHBondContact NZ-OD1 3.19Å; K293-D385 IonicContact NZ-OD2 3.93Å; K293-D385 PolarHBondContact NZ-OD2 3.29Å; Q296-D385 VanDerWaalsContact CG-OD1 3.31Å; Q296-D385 WeakPolarHBondContact CG-OD1 3.4Å; Q296-D385 PolarHBondContact NE2-OD1 3.07Å; D385-Y387 HydrophobicContact CB-CD2 4.37Å; D385-Y387 HydrophobicContact CB-CE2 3.49Å; D385-Y387 VanDerWaalsContact CB-CE2 3.49Å; D385-Y387 PolarHBondContact OD2-OH 3.39Å
386	L	98.3	Very high	97.4	Very high	21 Å²	21	49.3 Å²	49.3	11%	0.11	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.1	172.8	-62.9	-176.3	0	0	0	110.1	K293 V294 G295 V297 Y404	K293-L386 CarbonylContact C-O 3.49Å; K293-L386 WeakPolarHBondContact CA-O 3.4Å; V294-L386 HydrophobicContact CG2-CB 3.86Å; V294-L386 WeakPolarHBondContact CG2-O 3.49Å; V294-L386 PolarHBondContact N-O 2.99Å; G295-L386 PolarHBondContact O-N 3.17Å; V297-L386 HydrophobicContact CG2-CD1 3.61Å; V297-L386 HydrophobicContact CG2-CD2 3.83Å; V297-L386 HydrophobicContact CG2-CG 3.84Å; L386-Y404 VanDerWaalsContact CD2-O 3.28Å; L386-Y404 WeakPolarHBondContact CD2-O 3.4Å
387	Y	98.6	Very high	97.4	Very high	47 Å²	47	49.7 Å²	49.7	18%	0.184	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.8	179	-62.9	-81.3	0	0	0	112	P284 M288 V291 K292 K293 D385 S403	P284-Y387 HydrophobicContact CB-CD2 4.38Å; P284-Y387 HydrophobicContact CB-CG 4.27Å; M288-Y387 HydrophobicContact CE-CD1 4.24Å; M288-Y387 HydrophobicContact CE-CE1 3.63Å; M288-Y387 HydrophobicContact CE-CE2 4.06Å; V291-Y387 HydrophobicContact CB-CD1 4.4Å; V291-Y387 HydrophobicContact CG2-CD1 3.81Å; V291-Y387 HydrophobicContact CG2-CG 4.19Å; K292-Y387 WeakPolarHBondContact O-CA 3.49Å; K293-Y387 HydrophobicContact CB-CD1 4.2Å; K293-Y387 HydrophobicContact CB-CE1 3.86Å; D385-Y387 HydrophobicContact CB-CD2 4.37Å; D385-Y387 HydrophobicContact CB-CE2 3.49Å; D385-Y387 VanDerWaalsContact CB-CE2 3.49Å; D385-Y387 PolarHBondContact OD2-OH 3.39Å; Y387-S403 PolarHBondContact N-OG 3.45Å; Y387-S403 PolarHBondContact O-N 3.16Å
388	E	98.1	Very high	97.5	Very high	55 Å²	55	46.9 Å²	46.9	26%	0.257	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.6	167.8	80.7	-178.9	173.3	0	0	111	V291 K292 V294 R402	V291-E388 VanDerWaalsContact CA-O 3.32Å; V291-E388 WeakPolarHBondContact CA-O 3.39Å; K292-E388 HydrophobicContact CD-CG 4.47Å; K292-E388 VanDerWaalsContact CE-CG 3.42Å; K292-E388 WeakPolarHBondContact CE-OE1 3.5Å; K292-E388 HydrophobicContact CG-CG 4.02Å; K292-E388 PolarHBondContact N-O 2.85Å; K292-E388 IonicContact NZ-OE1 2.79Å; K292-E388 PolarHBondContact NZ-OE1 2.86Å; K292-E388 PolarHBondContact O-N 2.94Å; K292-E388 VanDerWaalsContact O-N 3.08Å; V294-E388 HydrophobicContact CG1-CB 4.17Å; V294-E388 VanDerWaalsContact CG1-CD 3.47Å; V294-E388 HydrophobicContact CG1-CG 3.49Å; V294-E388 VanDerWaalsContact CG1-CG 3.49Å; V294-E388 WeakPolarHBondContact CG1-OE1 3.41Å; E388-R402 HydrophobicContact CB-CG 4.21Å
389	P	98.2	Very high	97.5	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.058	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	136.5	177.5	17.2	-28.7	0	0	0	112.6	D391 M392 I400	P389-D391 WeakPolarHBondContact CB-O 3.43Å; P389-M392 HydrophobicContact CB-SD 4.41Å; P389-M392 HydrophobicContact CG-SD 4.26Å; P389-I400 HydrophobicContact CB-CB 4.15Å; P389-I400 HydrophobicContact CB-CD1 4.39Å
390	T	97.8	Very high	97.6	Very high	84 Å²	84	40.9 Å²	40.9	52%	0.515	22%	0.219	S	C	.	.	S	Bend	trans	-93.2	-23.9	159.7	55.9	0	0	0	0	111.6	R290 K292	R290-T390 PolarHBondContact O-N 2.95Å; R290-T390 PolarHBondContact O-OG1 2.81Å; K292-T390 HydrophobicContact CB-CG2 3.78Å; K292-T390 HydrophobicContact CD-CG2 3.94Å; K292-T390 HydrophobicContact CG-CG2 3.74Å
391	D	94.1	Very high	97.6	Very high	31 Å²	31	41 Å²	41	17%	0.166	22%	0.22	C	C	.	.	S	Bend	trans	-101.1	118.2	171.5	-178.5	0.3	0	0	0	110.2	R290 P389 G393 S396	R290-D391 HydrophobicContact CB-CB 4.34Å; R290-D391 IonicContact CZ-OD2 2.73Å; R290-D391 IonicContact NH1-OD2 2.68Å; R290-D391 PolarHBondContact NH1-OD2 3.23Å; P389-D391 WeakPolarHBondContact CB-O 3.43Å; D391-G393 VanDerWaalsContact C-N 3.26Å; D391-G393 PolarHBondContact O-N 2.89Å; D391-G393 PolarHBondContact OD1-N 2.75Å; D391-S396 VanDerWaalsContact CG-OG 3.23Å; D391-S396 PolarHBondContact OD1-OG 3.22Å; D391-S396 WeakPolarHBondContact OD2-CB 3.2Å; D391-S396 PolarHBondContact OD2-OG 2.9Å
392	M	95.9	Very high	97.6	Very high	74 Å²	74	42.7 Å²	42.7	37%	0.365	22%	0.221	S	C	.	.			trans	-81.2	-5.1	-179.2	-61.4	-55.3	-76.1	0	0	113.2	P389 T394 R423	P389-M392 HydrophobicContact CB-SD 4.41Å; P389-M392 HydrophobicContact CG-SD 4.26Å; M392-T394 VanDerWaalsContact C-N 3.34Å; M392-T394 PolarHBondContact O-N 2.79Å; M392-R423 VanDerWaalsContact CE-CD 3.45Å; M392-R423 WeakPolarHBondContact O-CD 3.5Å; M392-R423 PolarHBondContact O-NH1 2.79Å
393	G	97	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	85.6	-3.1	172.8	0	0	0	0	0	115.2	D391 E395 Q397 I398 F399	D391-G393 VanDerWaalsContact C-N 3.26Å; D391-G393 PolarHBondContact O-N 2.89Å; D391-G393 PolarHBondContact OD1-N 2.75Å; G393-E395 VanDerWaalsContact C-N 3.33Å; G393-E395 PolarHBondContact O-N 2.88Å; G393-Q397 WeakPolarHBondContact O-CA 3.44Å; G393-Q397 PolarHBondContact O-N 2.65Å; G393-Q397 PolarHBondContact O-NE2 2.85Å; G393-I398 WeakPolarHBondContact CA-O 3.31Å; G393-F399 WeakPolarHBondContact O-CZ 3.19Å
394	T	94.3	Very high	97.6	Very high	94 Å²	94	39 Å²	39	58%	0.577	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-36.7	-178.3	48.7	0	0	0	0	112.6	M392 Q397	M392-T394 VanDerWaalsContact C-N 3.34Å; M392-T394 PolarHBondContact O-N 2.79Å; T394-Q397 PolarHBondContact O-NE2 2.86Å
395	E	96.1	Very high	97.5	Very high	168 Å²	168	38 Å²	38	79%	0.785	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-51.4	177.2	-64.6	-179.7	-173.5	0	0	111.3	G393 Q397	G393-E395 VanDerWaalsContact C-N 3.33Å; G393-E395 PolarHBondContact O-N 2.88Å; E395-Q397 VanDerWaalsContact C-N 3.28Å; E395-Q397 PolarHBondContact O-N 3.27Å
396	S	98.1	Very high	97.3	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.028	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-22.3	-175.8	64.4	0	0	0	0	114.1	G263 K264 V265 D391 I398	G263-S396 WeakPolarHBondContact O-CA 3.27Å; K264-S396 WeakPolarHBondContact CA-O 3.33Å; V265-S396 PolarHBondContact N-O 2.84Å; D391-S396 VanDerWaalsContact CG-OG 3.23Å; D391-S396 PolarHBondContact OD1-OG 3.22Å; D391-S396 WeakPolarHBondContact OD2-CB 3.2Å; D391-S396 PolarHBondContact OD2-OG 2.9Å; S396-I398 PolarHBondContact O-N 3.04Å; S396-I398 PolarHBondContact OG-N 2.7Å
397	Q	98.6	Very high	97.1	Very high	35 Å²	35	35.3 Å²	35.3	16%	0.164	18%	0.178	C	C	.	.			trans	59	25.1	-170	-58.8	-66.6	-63.4	0	0	113.6	K264 V265 Q279 L280 G393 T394 E395 F399	K264-Q397 HydrophobicContact CD-CG 3.89Å; K264-Q397 HydrophobicContact CG-CB 4.19Å; K264-Q397 HydrophobicContact CG-CG 4.03Å; V265-Q397 HydrophobicContact CG1-CB 3.96Å; V265-Q397 WeakPolarHBondContact CG1-O 3.34Å; Q279-Q397 HydrophobicContact CG-CB 4.42Å; L280-Q397 PolarHBondContact N-O 3.42Å; G393-Q397 WeakPolarHBondContact O-CA 3.44Å; G393-Q397 PolarHBondContact O-N 2.65Å; G393-Q397 PolarHBondContact O-NE2 2.85Å; T394-Q397 PolarHBondContact O-NE2 2.86Å; E395-Q397 VanDerWaalsContact C-N 3.28Å; E395-Q397 PolarHBondContact O-N 3.27Å; Q397-F399 HydrophobicContact CB-CE2 4.38Å
398	I	98.7	Very high	96.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.3	169.6	-55.7	177.1	0	0	0	108.4	I258 M260 V265 L280 G393 S396 I400	I258-I398 HydrophobicContact CG2-CD1 4.21Å; M260-I398 HydrophobicContact CE-CD1 3.82Å; M260-I398 HydrophobicContact SD-CD1 3.75Å; V265-I398 HydrophobicContact CB-CD1 4.44Å; V265-I398 HydrophobicContact CB-CG1 3.92Å; V265-I398 HydrophobicContact CG1-CG1 4.19Å; L280-I398 HydrophobicContact CB-CG1 4.41Å; L280-I398 HydrophobicContact CD2-CG1 4.29Å; L280-I398 HydrophobicContact CD2-CG2 4.21Å; L280-I398 CarbonylContact O-C 3.59Å; L280-I398 WeakPolarHBondContact O-CA 3.46Å; G393-I398 WeakPolarHBondContact CA-O 3.31Å; S396-I398 PolarHBondContact O-N 3.04Å; S396-I398 PolarHBondContact OG-N 2.7Å; I398-I400 HydrophobicContact CG2-CG1 3.97Å
399	F	98.7	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	103.8	-176.5	-58.5	-83.3	0	0	0	110	Q279 L280 I281 C282 G393 Q397 I420 R423 M424	Q279-F399 HydrophobicContact CB-CD2 4.49Å; Q279-F399 HydrophobicContact CB-CE2 4.12Å; Q279-F399 HydrophobicContact CG-CE2 4.1Å; L280-F399 PolarHBondContact O-N 3.22Å; I281-F399 WeakPolarHBondContact CA-O 3.41Å; C282-F399 PolarHBondContact N-O 2.93Å; C282-F399 VanDerWaalsContact N-O 3.13Å; G393-F399 WeakPolarHBondContact O-CZ 3.19Å; Q397-F399 HydrophobicContact CB-CE2 4.38Å; F399-I420 HydrophobicContact CB-CG2 3.96Å; F399-R423 HydrophobicContact CD1-CB 3.8Å; F399-R423 HydrophobicContact CE1-CB 3.78Å; F399-R423 WeakPolarHBondContact CE1-O 3.24Å; F399-M424 HydrophobicContact CB-CG 4.05Å; F399-M424 HydrophobicContact CB-SD 4.46Å; F399-M424 HydrophobicContact CD1-CG 3.65Å; F399-M424 HydrophobicContact CD2-CE 4.33Å; F399-M424 HydrophobicContact CD2-CG 3.45Å; F399-M424 VanDerWaalsContact CD2-CG 3.45Å; F399-M424 HydrophobicContact CD2-SD 4.27Å; F399-M424 HydrophobicContact CE1-CB 4.43Å; F399-M424 HydrophobicContact CE1-CG 3.91Å; F399-M424 HydrophobicContact CE2-CB 4.42Å; F399-M424 HydrophobicContact CE2-CG 3.72Å; F399-M424 HydrophobicContact CG-CG 3.4Å; F399-M424 VanDerWaalsContact CG-CG 3.4Å; F399-M424 HydrophobicContact CG-SD 4.33Å; F399-M424 HydrophobicContact CZ-CB 4.35Å; F399-M424 HydrophobicContact CZ-CG 3.94Å
400	I	98.6	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.7	-173.8	-39.5	167.8	0	0	0	109.3	C282 P284 V287 R290 V291 P389 I398 R423	C282-I400 VanDerWaalsContact O-CA 3.31Å; C282-I400 WeakPolarHBondContact O-CA 3.25Å; P284-I400 HydrophobicContact CG-CG2 4.35Å; V287-I400 HydrophobicContact CB-CD1 4.47Å; V287-I400 HydrophobicContact CG2-CD1 3.56Å; V287-I400 HydrophobicContact CG2-CG1 3.81Å; V287-I400 HydrophobicContact CG2-CG2 3.93Å; R290-I400 HydrophobicContact CB-CD1 3.58Å; R290-I400 WeakPolarHBondContact O-CD1 3.42Å; V291-I400 HydrophobicContact CG1-CD1 4.12Å; V291-I400 HydrophobicContact CG1-CG2 3.89Å; P389-I400 HydrophobicContact CB-CB 4.15Å; P389-I400 HydrophobicContact CB-CD1 4.39Å; I398-I400 HydrophobicContact CG2-CG1 3.97Å; I400-R423 PolarHBondContact O-NH2 3.03Å; I400-R423 VanDerWaalsContact O-NH2 3.15Å
401	S	98.5	Very high	95.7	Very high	3 Å²	3	28 Å²	28	2%	0.021	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-81	166.3	171.1	62.7	0	0	0	0	113	E16 C282 D283 P284	E16-S401 WeakPolarHBondContact OE1-CB 3.08Å; E16-S401 PolarHBondContact OE1-OG 3.29Å; C282-S401 PolarHBondContact O-N 2.88Å; D283-S401 WeakPolarHBondContact CA-OG 3.35Å; P284-S401 WeakPolarHBondContact CG-O 3.4Å
402	R	98.4	Very high	95.6	Very high	85 Å²	85	28.5 Å²	28.5	32%	0.321	14%	0.143	S	C	.	.	P	Polyproline II helix	trans	-91.6	145.9	173.2	-65.4	173.6	173.2	93.1	-2.2	110	E388 D416 D419	E388-R402 HydrophobicContact CB-CG 4.21Å; R402-D416 WeakPolarHBondContact CD-OD1 3.49Å; R402-D416 WeakPolarHBondContact CG-OD1 3.38Å; R402-D416 IonicContact CZ-OD1 3.87Å; R402-D416 PolarHBondContact N-OD2 3.16Å; R402-D416 IonicContact NE-OD1 3.96Å; R402-D416 IonicContact NH1-OD1 2.85Å; R402-D416 PolarHBondContact NH1-OD1 2.85Å; R402-D419 IonicContact CZ-OD2 3.39Å; R402-D419 IonicContact NH1-OD2 3.08Å; R402-D419 PolarHBondContact NH1-OD2 3.02Å; R402-D419 VanDerWaalsContact NH1-OD2 3.11Å; R402-D419 IonicContact NH2-OD2 3.71Å
403	S	98.2	Very high	95.5	Very high	13 Å²	13	25.3 Å²	25.3	9%	0.091	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-58.6	147.9	170.6	-61	0	0	0	0	111.5	Y387 D405	Y387-S403 PolarHBondContact N-OG 3.45Å; Y387-S403 PolarHBondContact O-N 3.16Å; S403-D405 PolarHBondContact O-N 2.84Å
404	Y	97.4	Very high	95.4	Very high	16 Å²	16	25.4 Å²	25.4	6%	0.063	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-67.5	121.5	178	-60.6	-80.4	0	0	0	111.5	L14 T15 V77 R299 L386 T413	L14-Y404 PolarHBondContact N-OH 2.98Å; T15-Y404 PolarHBondContact N-OH 3.34Å; V77-Y404 HydrophobicContact CG1-CG 4.3Å; R299-Y404 PolarHBondContact NH2-O 2.76Å; L386-Y404 VanDerWaalsContact CD2-O 3.28Å; L386-Y404 WeakPolarHBondContact CD2-O 3.4Å; Y404-T413 HydrophobicContact CD1-CG2 4.36Å; Y404-T413 HydrophobicContact CE1-CG2 3.84Å
405	D	95.8	Very high	95.4	Very high	16 Å²	16	23.7 Å²	23.7	9%	0.086	12%	0.124	C	C	.	.			trans	-71.1	178.7	178.1	70.9	13.9	0	0	0	113.5	K79 R193 R299 S403 T407 T412	K79-D405 PolarHBondContact NZ-O 2.8Å; K79-D405 IonicContact NZ-OD1 2.89Å; K79-D405 PolarHBondContact NZ-OD1 2.98Å; R193-D405 IonicContact CZ-OD2 3.44Å; R193-D405 IonicContact NH1-OD2 3.24Å; R193-D405 PolarHBondContact NH1-OD2 2.92Å; R299-D405 PolarHBondContact NH2-O 2.9Å; S403-D405 PolarHBondContact O-N 2.84Å; D405-T407 PolarHBondContact O-N 3.17Å; D405-T407 WeakPolarHBondContact OD1-CB 3.48Å; D405-T407 PolarHBondContact OD1-N 2.69Å; D405-T407 PolarHBondContact OD1-OG1 2.91Å; D405-T412 PolarHBondContact OD1-OG1 3.05Å; D405-T412 WeakPolarHBondContact OD2-CB 3.39Å; D405-T412 WeakPolarHBondContact OD2-CG2 3.34Å; D405-T412 PolarHBondContact OD2-OG1 3.32Å
406	A	94.8	Very high	95.4	Very high	4 Å²	4	16 Å²	16	3%	0.033	9%	0.088	C	C	.	.	S	Bend	trans	-72.7	-7	-179.3	0	0	0	0	0	114.7	V297 Y333 S354	V297-A406 HydrophobicContact CG1-CB 3.78Å; V297-A406 HydrophobicContact CG2-CB 3.94Å; Y333-A406 WeakPolarHBondContact CD2-O 3.45Å; S354-A406 PolarHBondContact OG-O 2.9Å
407	T	92.6	Very high	95.3	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.018	9%	0.086	C	C	.	.			trans	-67.2	148.4	-178.5	65.2	0	0	0	0	110.5	K79 R193 Y333 D405 H409	K79-T407 PolarHBondContact NZ-O 2.88Å; K79-T407 PolarHBondContact NZ-OG1 2.84Å; R193-T407 HydrophobicContact CG-CG2 3.71Å; Y333-T407 HydrophobicContact CE2-CG2 4.45Å; D405-T407 PolarHBondContact O-N 3.17Å; D405-T407 WeakPolarHBondContact OD1-CB 3.48Å; D405-T407 PolarHBondContact OD1-N 2.69Å; D405-T407 PolarHBondContact OD1-OG1 2.91Å; T407-H409 VanDerWaalsContact C-N 3.3Å; T407-H409 PolarHBondContact OG1-O 2.78Å
408	T	88.8	Confident	95.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-97.5	26.2	176.1	46.7	0	0	0	0	112.1	K79 F80 Q318 Y333 C335	K79-T408 CarbonylContact C-O 3.51Å; K79-T408 WeakPolarHBondContact CA-O 3.35Å; F80-T408 PolarHBondContact N-O 3.03Å; Q318-T408 PolarHBondContact OE1-O 2.96Å; Q318-T408 PolarHBondContact OE1-OG1 3.05Å; Y333-T408 HydrophobicContact CG-CG2 4.4Å; C335-T408 HydrophobicContact CB-CG2 4.01Å
409	H	91.9	Very high	95.1	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-139.8	171.6	171.9	58.2	83.8	0	0	0	110.4	K79 F80 T407 E411	K79-H409 WeakPolarHBondContact CD-O 3.4Å; K79-H409 PolarHBondContact NZ-O 3.24Å; F80-H409 VanDerWaalsContact O-CA 3.25Å; F80-H409 WeakPolarHBondContact O-CA 3.29Å; T407-H409 VanDerWaalsContact C-N 3.3Å; T407-H409 PolarHBondContact OG1-O 2.78Å; H409-E411 IonicContact ND1-OE2 3.51Å
410	F	93	Very high	95.1	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.018	10%	0.103	C	C	.	.	S	Bend	trans	-98.7	2.3	-168.7	-80.1	-68.2	0	0	0	115.9	L14 K79 F80 L81 L87 L231 T412 T413 C414	L14-F410 HydrophobicContact CD2-CD1 3.79Å; L14-F410 HydrophobicContact CD2-CE1 3.15Å; L14-F410 HydrophobicContact CD2-CE2 4.31Å; L14-F410 HydrophobicContact CD2-CZ 3.43Å; L14-F410 VanDerWaalsContact CD2-CZ 3.43Å; K79-F410 HydrophobicContact CB-CD1 3.92Å; K79-F410 HydrophobicContact CB-CD2 3.7Å; K79-F410 HydrophobicContact CB-CE1 3.64Å; K79-F410 HydrophobicContact CB-CE2 3.45Å; K79-F410 VanDerWaalsContact CB-CE2 3.45Å; K79-F410 HydrophobicContact CB-CG 3.96Å; K79-F410 HydrophobicContact CB-CZ 3.43Å; K79-F410 VanDerWaalsContact CB-CZ 3.43Å; K79-F410 HydrophobicContact CD-CD1 3.57Å; K79-F410 HydrophobicContact CD-CE1 3.51Å; K79-F410 HydrophobicContact CD-CG 4.25Å; K79-F410 HydrophobicContact CD-CZ 4.21Å; K79-F410 HydrophobicContact CG-CD1 4.39Å; K79-F410 HydrophobicContact CG-CE1 4.17Å; K79-F410 HydrophobicContact CG-CZ 4.4Å; K79-F410 WeakPolarHBondContact O-CE2 3.48Å; F80-F410 WeakPolarHBondContact O-CD2 3.44Å; F80-F410 PolarHBondContact O-N 3.21Å; L81-F410 HydrophobicContact CD1-CD2 4.27Å; L81-F410 HydrophobicContact CD1-CE2 4.02Å; L81-F410 HydrophobicContact CG-CD2 3.9Å; L81-F410 HydrophobicContact CG-CE2 4.11Å; L87-F410 HydrophobicContact CB-CB 4.48Å; L87-F410 HydrophobicContact CD2-CB 3.41Å; L87-F410 VanDerWaalsContact CD2-CB 3.41Å; L87-F410 HydrophobicContact CD2-CD1 4.02Å; L87-F410 HydrophobicContact CD2-CD2 3.47Å; L87-F410 VanDerWaalsContact CD2-CD2 3.47Å; L87-F410 HydrophobicContact CD2-CE2 4.14Å; L87-F410 HydrophobicContact CD2-CG 3.36Å; L231-F410 HydrophobicContact CD1-CE2 4.28Å; L231-F410 HydrophobicContact CD1-CZ 3.76Å; L231-F410 HydrophobicContact CD2-CE2 3.74Å; L231-F410 HydrophobicContact CD2-CZ 3.78Å; L231-F410 HydrophobicContact CG-CZ 4.4Å; F410-T412 VanDerWaalsContact C-N 3.29Å; F410-T412 PolarHBondContact O-N 2.79Å; F410-T413 HydrophobicContact CD1-CG2 4.17Å; F410-T413 CarbonylContact O-C 3.48Å; F410-T413 WeakPolarHBondContact O-CA 3.39Å; F410-T413 WeakPolarHBondContact O-CB 3.34Å; F410-T413 PolarHBondContact O-N 3.28Å; F410-C414 WeakPolarHBondContact O-CB 3.4Å; F410-C414 PolarHBondContact O-N 2.82Å
411	E	89.9	Confident	95	Very high	34 Å²	34	19.2 Å²	19.2	16%	0.159	10%	0.103	C	C	.	.	H	α-helix	trans	-61.1	-38	-168.5	-73.4	10.8	-126.4	0	0	112.2	M82 H409 C414 A415	M82-E411 WeakPolarHBondContact CB-OE1 3.45Å; H409-E411 IonicContact ND1-OE2 3.51Å; E411-C414 PolarHBondContact O-N 3.37Å; E411-A415 PolarHBondContact O-N 3.25Å
412	T	92.1	Very high	95	Very high	42 Å²	42	23.6 Å²	23.6	26%	0.258	12%	0.122	S	C	.	.	H	α-helix	trans	-72.2	-38.4	175.9	53.9	0	0	0	0	112.1	D405 F410 C414 A415 D416	D405-T412 PolarHBondContact OD1-OG1 3.05Å; D405-T412 WeakPolarHBondContact OD2-CB 3.39Å; D405-T412 WeakPolarHBondContact OD2-CG2 3.34Å; D405-T412 PolarHBondContact OD2-OG1 3.32Å; F410-T412 VanDerWaalsContact C-N 3.29Å; F410-T412 PolarHBondContact O-N 2.79Å; T412-C414 VanDerWaalsContact C-N 3.34Å; T412-C414 PolarHBondContact O-N 3.31Å; T412-A415 WeakPolarHBondContact O-CB 3.32Å; T412-A415 PolarHBondContact O-N 2.99Å; T412-D416 PolarHBondContact O-N 3.17Å
413	T	94.8	Very high	94.9	Very high	8 Å²	8	21.1 Å²	21.1	5%	0.049	11%	0.112	C	C	.	.	H	α-helix	trans	-61.3	-41.7	171.1	-56.8	0	0	0	0	111.6	T15 Y404 F410 A415 D416 I417	T15-T413 WeakPolarHBondContact OG1-CG2 3.47Å; Y404-T413 HydrophobicContact CD1-CG2 4.36Å; Y404-T413 HydrophobicContact CE1-CG2 3.84Å; F410-T413 HydrophobicContact CD1-CG2 4.17Å; F410-T413 CarbonylContact O-C 3.48Å; F410-T413 WeakPolarHBondContact O-CA 3.39Å; F410-T413 WeakPolarHBondContact O-CB 3.34Å; F410-T413 PolarHBondContact O-N 3.28Å; T413-A415 VanDerWaalsContact C-N 3.33Å; T413-A415 PolarHBondContact O-N 3.02Å; T413-D416 WeakPolarHBondContact O-CB 3.33Å; T413-D416 PolarHBondContact O-N 3.04Å; T413-I417 HydrophobicContact CG2-CD1 4.17Å; T413-I417 WeakPolarHBondContact O-CG1 3.45Å; T413-I417 PolarHBondContact O-N 2.97Å
414	C	93.8	Very high	94.8	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-66.2	-36.3	177.2	-170.1	0	0	0	0	112	Q86 F410 E411 T412 D416 K418	Q86-C414 WeakPolarHBondContact CB-SG 3.4Å; F410-C414 WeakPolarHBondContact O-CB 3.4Å; F410-C414 PolarHBondContact O-N 2.82Å; E411-C414 PolarHBondContact O-N 3.37Å; T412-C414 VanDerWaalsContact C-N 3.34Å; T412-C414 PolarHBondContact O-N 3.31Å; C414-D416 VanDerWaalsContact C-N 3.32Å; C414-K418 WeakPolarHBondContact O-CG 3.44Å; C414-K418 PolarHBondContact O-N 3.28Å; C414-K418 VanDerWaalsContact O-N 3.17Å
415	A	93.6	Very high	94.7	Very high	58 Å²	58	23 Å²	23	48%	0.479	12%	0.124	S	C	.	.	H	α-helix	trans	-62.7	-41	172.7	0	0	0	0	0	111.3	E411 T412 T413 K418 D419	E411-A415 PolarHBondContact O-N 3.25Å; T412-A415 WeakPolarHBondContact O-CB 3.32Å; T412-A415 PolarHBondContact O-N 2.99Å; T413-A415 VanDerWaalsContact C-N 3.33Å; T413-A415 PolarHBondContact O-N 3.02Å; A415-K418 PolarHBondContact O-N 3.22Å; A415-D419 WeakPolarHBondContact O-CB 3.49Å; A415-D419 PolarHBondContact O-N 2.96Å
416	D	97.4	Very high	94.7	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.027	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-44	177	-164.3	42.8	0	0	0	112.5	R402 T412 T413 C414 K418 D419 I420	R402-D416 WeakPolarHBondContact CD-OD1 3.49Å; R402-D416 WeakPolarHBondContact CG-OD1 3.38Å; R402-D416 IonicContact CZ-OD1 3.87Å; R402-D416 PolarHBondContact N-OD2 3.16Å; R402-D416 IonicContact NE-OD1 3.96Å; R402-D416 IonicContact NH1-OD1 2.85Å; R402-D416 PolarHBondContact NH1-OD1 2.85Å; T412-D416 PolarHBondContact O-N 3.17Å; T413-D416 WeakPolarHBondContact O-CB 3.33Å; T413-D416 PolarHBondContact O-N 3.04Å; C414-D416 VanDerWaalsContact C-N 3.32Å; D416-K418 VanDerWaalsContact C-N 3.31Å; D416-K418 PolarHBondContact O-N 2.8Å; D416-D419 WeakPolarHBondContact O-CB 3.42Å; D416-D419 PolarHBondContact O-N 2.83Å; D416-I420 VanDerWaalsContact O-CG1 3.31Å; D416-I420 WeakPolarHBondContact O-CG1 3.47Å; D416-I420 PolarHBondContact O-N 2.65Å
417	I	96.4	Very high	94.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.9	-46.2	174.4	-69.8	157	0	0	0	111.1	T15 I18 L19 I22 M90 T413 Y421	T15-I417 HydrophobicContact CG2-CG1 3.87Å; I18-I417 HydrophobicContact CB-CD1 4.18Å; I18-I417 HydrophobicContact CD1-CD1 3.52Å; I18-I417 HydrophobicContact CG1-CD1 4.46Å; I18-I417 HydrophobicContact CG2-CD1 4.08Å; I18-I417 HydrophobicContact CG2-CG2 3.92Å; L19-I417 HydrophobicContact CD2-CG2 4.1Å; L19-I417 HydrophobicContact CG-CG2 4.32Å; I22-I417 HydrophobicContact CD1-CG2 4.38Å; M90-I417 HydrophobicContact CE-CG2 4.09Å; M90-I417 HydrophobicContact SD-CG2 3.94Å; T413-I417 HydrophobicContact CG2-CD1 4.17Å; T413-I417 WeakPolarHBondContact O-CG1 3.45Å; T413-I417 PolarHBondContact O-N 2.97Å; I417-Y421 VanDerWaalsContact O-CB 3.29Å; I417-Y421 WeakPolarHBondContact O-CB 3.43Å; I417-Y421 PolarHBondContact O-N 3.41Å
418	K	95.6	Very high	94.6	Very high	63 Å²	63	32.9 Å²	32.9	27%	0.274	20%	0.197	S	C	.	.	H	α-helix	trans	-67.5	-39.3	179.8	-69.3	171.4	66.8	-172.1	0	112	Q86 M90 C414 A415 D416 K422 F429	Q86-K418 VanDerWaalsContact OE1-CD 3.22Å; M90-K418 HydrophobicContact CE-CD 4.11Å; M90-K418 HydrophobicContact CE-CG 3.6Å; C414-K418 WeakPolarHBondContact O-CG 3.44Å; C414-K418 PolarHBondContact O-N 3.28Å; C414-K418 VanDerWaalsContact O-N 3.17Å; A415-K418 PolarHBondContact O-N 3.22Å; D416-K418 VanDerWaalsContact C-N 3.31Å; D416-K418 PolarHBondContact O-N 2.8Å; K418-K422 WeakPolarHBondContact O-CB 2.79Å; K418-K422 PolarHBondContact O-N 2.76Å; K418-F429 HydrophobicContact CG-CB 4.17Å
419	D	97.5	Very high	94.6	Very high	46 Å²	46	33.7 Å²	33.7	25%	0.246	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-51.3	175.2	175.9	64.1	0	0	0	111	R402 A415 D416 Y421 K422 R423	R402-D419 IonicContact CZ-OD2 3.39Å; R402-D419 IonicContact NH1-OD2 3.08Å; R402-D419 PolarHBondContact NH1-OD2 3.02Å; R402-D419 VanDerWaalsContact NH1-OD2 3.11Å; R402-D419 IonicContact NH2-OD2 3.71Å; A415-D419 WeakPolarHBondContact O-CB 3.49Å; A415-D419 PolarHBondContact O-N 2.96Å; D416-D419 WeakPolarHBondContact O-CB 3.42Å; D416-D419 PolarHBondContact O-N 2.83Å; D419-Y421 PolarHBondContact O-N 2.77Å; D419-K422 WeakPolarHBondContact O-CB 3.4Å; D419-K422 PolarHBondContact O-N 3.46Å; D419-R423 WeakPolarHBondContact O-CG 3.34Å; D419-R423 PolarHBondContact O-N 2.79Å; D419-R423 IonicContact OD1-NE 2.84Å; D419-R423 IonicContact OD2-CZ 3.28Å; D419-R423 IonicContact OD2-NE 3.25Å; D419-R423 PolarHBondContact OD2-NE 2.89Å; D419-R423 IonicContact OD2-NH2 2.7Å; D419-R423 PolarHBondContact OD2-NH2 3.24Å
420	I	98.1	Very high	94.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.1	-48.8	176.5	-65.6	159.7	0	0	0	110.6	T15 L19 F399 D416 K422 R423 M424	T15-I420 HydrophobicContact CG2-CD1 3.7Å; L19-I420 HydrophobicContact CD1-CB 3.89Å; L19-I420 HydrophobicContact CD1-CD1 3.76Å; L19-I420 HydrophobicContact CD1-CG1 4.43Å; L19-I420 HydrophobicContact CD1-CG2 3.45Å; L19-I420 VanDerWaalsContact CD1-CG2 3.45Å; L19-I420 HydrophobicContact CD2-CB 4.4Å; L19-I420 HydrophobicContact CD2-CG2 4.11Å; L19-I420 HydrophobicContact CG-CG2 4.44Å; F399-I420 HydrophobicContact CB-CG2 3.96Å; D416-I420 VanDerWaalsContact O-CG1 3.31Å; D416-I420 WeakPolarHBondContact O-CG1 3.47Å; D416-I420 PolarHBondContact O-N 2.65Å; I420-K422 VanDerWaalsContact C-N 3.28Å; I420-K422 PolarHBondContact O-N 2.78Å; I420-R423 PolarHBondContact O-N 3.48Å; I420-R423 VanDerWaalsContact O-N 3.15Å; I420-M424 HydrophobicContact CG2-CG 4.17Å; I420-M424 HydrophobicContact CG2-SD 3.88Å; I420-M424 WeakPolarHBondContact O-CB 3.48Å; I420-M424 VanDerWaalsContact O-CG 3.28Å; I420-M424 WeakPolarHBondContact O-CG 3.39Å; I420-M424 PolarHBondContact O-N 3.32Å
421	Y	96.7	Very high	94	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.8	-42.6	178	177	-86.5	0	0	0	112.1	I22 M23 K26 I417 D419 M424 T425 F429	I22-Y421 HydrophobicContact CG2-CD2 3.91Å; I22-Y421 HydrophobicContact CG2-CE2 3.74Å; M23-Y421 HydrophobicContact CE-CD2 3.86Å; M23-Y421 HydrophobicContact CE-CE2 4.24Å; K26-Y421 HydrophobicContact CD-CE2 4.09Å; K26-Y421 PolarHBondContact NZ-OH 3.32Å; I417-Y421 VanDerWaalsContact O-CB 3.29Å; I417-Y421 WeakPolarHBondContact O-CB 3.43Å; I417-Y421 PolarHBondContact O-N 3.41Å; D419-Y421 PolarHBondContact O-N 2.77Å; Y421-M424 PolarHBondContact O-N 2.73Å; Y421-T425 HydrophobicContact CD1-CG2 4.49Å; Y421-T425 HydrophobicContact CD2-CG2 4.2Å; Y421-T425 HydrophobicContact CE1-CG2 4.21Å; Y421-T425 WeakPolarHBondContact CE1-OG1 3.03Å; Y421-T425 HydrophobicContact CE2-CG2 3.9Å; Y421-T425 HydrophobicContact CG-CG2 4.49Å; Y421-T425 WeakPolarHBondContact O-CB 3.28Å; Y421-T425 WeakPolarHBondContact O-CG2 3.39Å; Y421-T425 PolarHBondContact O-N 2.88Å; Y421-T425 PolarHBondContact O-OG1 3.15Å; Y421-F429 HydrophobicContact CD1-CB 3.82Å; Y421-F429 AromaticContact CD1-CD2 3.77Å; Y421-F429 HydrophobicContact CD1-CD2 3.77Å; Y421-F429 HydrophobicContact CD1-CG 4.31Å; Y421-F429 AromaticContact CD2-CD2 3.87Å; Y421-F429 HydrophobicContact CD2-CD2 3.87Å; Y421-F429 HydrophobicContact CD2-CE2 4.35Å; Y421-F429 HydrophobicContact CE1-CB 4.1Å; Y421-F429 AromaticContact CE1-CD2 3.9Å; Y421-F429 HydrophobicContact CE1-CD2 3.9Å; Y421-F429 HydrophobicContact CE1-CG 4.44Å; Y421-F429 AromaticContact CE2-CD2 3.98Å; Y421-F429 HydrophobicContact CE2-CD2 3.98Å; Y421-F429 HydrophobicContact CE2-CE2 4.31Å; Y421-F429 HydrophobicContact CG-CB 4.46Å; Y421-F429 AromaticContact CG-CD2 3.76Å; Y421-F429 HydrophobicContact CG-CD2 3.76Å; Y421-F429 AromaticContact CZ-CD2 3.98Å
422	K	97.1	Very high	93.6	Very high	95 Å²	95	37.4 Å²	37.4	41%	0.413	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-45.7	176.6	-177.5	179.3	-171.6	151.4	0	111.7	K418 D419 I420 M424 T425 G426 S427 D428	K418-K422 WeakPolarHBondContact O-CB 2.79Å; K418-K422 PolarHBondContact O-N 2.76Å; D419-K422 WeakPolarHBondContact O-CB 3.4Å; D419-K422 PolarHBondContact O-N 3.46Å; I420-K422 VanDerWaalsContact C-N 3.28Å; I420-K422 PolarHBondContact O-N 2.78Å; K422-M424 VanDerWaalsContact C-N 3.28Å; K422-M424 PolarHBondContact O-N 2.99Å; K422-T425 PolarHBondContact O-N 3.16Å; K422-G426 VanDerWaalsContact O-CA 3.32Å; K422-G426 WeakPolarHBondContact O-CA 3.34Å; K422-G426 PolarHBondContact O-N 3.29Å; K422-S427 WeakPolarHBondContact CA-O 3.35Å; K422-D428 VanDerWaalsContact CD-OD1 3.28Å; K422-D428 WeakPolarHBondContact CD-OD1 3.47Å; K422-D428 VanDerWaalsContact CE-OD1 3.27Å; K422-D428 WeakPolarHBondContact CE-OD1 3.27Å; K422-D428 IonicContact NZ-OD1 2.8Å; K422-D428 PolarHBondContact NZ-OD1 2.88Å; K422-D428 IonicContact NZ-OD2 2.88Å
423	R	97.4	Very high	93.2	Very high	32 Å²	32	37.8 Å²	37.8	12%	0.121	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-38.9	177	-68.6	-175.2	-70.2	133.9	-12.8	111.7	M392 F399 I400 D419 I420	M392-R423 VanDerWaalsContact CE-CD 3.45Å; M392-R423 WeakPolarHBondContact O-CD 3.5Å; M392-R423 PolarHBondContact O-NH1 2.79Å; F399-R423 HydrophobicContact CD1-CB 3.8Å; F399-R423 HydrophobicContact CE1-CB 3.78Å; F399-R423 WeakPolarHBondContact CE1-O 3.24Å; I400-R423 PolarHBondContact O-NH2 3.03Å; I400-R423 VanDerWaalsContact O-NH2 3.15Å; D419-R423 WeakPolarHBondContact O-CG 3.34Å; D419-R423 PolarHBondContact O-N 2.79Å; D419-R423 IonicContact OD1-NE 2.84Å; D419-R423 IonicContact OD2-CZ 3.28Å; D419-R423 IonicContact OD2-NE 3.25Å; D419-R423 PolarHBondContact OD2-NE 2.89Å; D419-R423 IonicContact OD2-NH2 2.7Å; D419-R423 PolarHBondContact OD2-NH2 3.24Å; I420-R423 PolarHBondContact O-N 3.48Å; I420-R423 VanDerWaalsContact O-N 3.15Å
424	M	96.7	Very high	92.4	Very high	13 Å²	13	37.4 Å²	37.4	6%	0.064	22%	0.223	C	C	.	.	H	α-helix	trans	-71.4	-41.5	179.4	-74.4	-174.6	76.4	0	0	114.1	V7 M23 Q279 I281 F399 I420 Y421 K422	V7-M424 HydrophobicContact CG1-CE 4.13Å; V7-M424 HydrophobicContact CG2-CE 4.3Å; M23-M424 HydrophobicContact CE-CB 4.31Å; M23-M424 HydrophobicContact CE-CE 3.78Å; M23-M424 HydrophobicContact CE-SD 3.71Å; M23-M424 HydrophobicContact SD-CE 4.43Å; Q279-M424 HydrophobicContact CB-CE 4.34Å; Q279-M424 PolarHBondContact NE2-O 2.79Å; I281-M424 HydrophobicContact CD1-CE 3.61Å; I281-M424 HydrophobicContact CD1-SD 3.44Å; I281-M424 WeakPolarHBondContact CD1-SD 3.32Å; I281-M424 HydrophobicContact CG1-CE 3.69Å; I281-M424 HydrophobicContact CG1-SD 3.67Å; F399-M424 HydrophobicContact CB-CG 4.05Å; F399-M424 HydrophobicContact CB-SD 4.46Å; F399-M424 HydrophobicContact CD1-CG 3.65Å; F399-M424 HydrophobicContact CD2-CE 4.33Å; F399-M424 HydrophobicContact CD2-CG 3.45Å; F399-M424 VanDerWaalsContact CD2-CG 3.45Å; F399-M424 HydrophobicContact CD2-SD 4.27Å; F399-M424 HydrophobicContact CE1-CB 4.43Å; F399-M424 HydrophobicContact CE1-CG 3.91Å; F399-M424 HydrophobicContact CE2-CB 4.42Å; F399-M424 HydrophobicContact CE2-CG 3.72Å; F399-M424 HydrophobicContact CG-CG 3.4Å; F399-M424 VanDerWaalsContact CG-CG 3.4Å; F399-M424 HydrophobicContact CG-SD 4.33Å; F399-M424 HydrophobicContact CZ-CB 4.35Å; F399-M424 HydrophobicContact CZ-CG 3.94Å; I420-M424 HydrophobicContact CG2-CG 4.17Å; I420-M424 HydrophobicContact CG2-SD 3.88Å; I420-M424 WeakPolarHBondContact O-CB 3.48Å; I420-M424 VanDerWaalsContact O-CG 3.28Å; I420-M424 WeakPolarHBondContact O-CG 3.39Å; I420-M424 PolarHBondContact O-N 3.32Å; Y421-M424 PolarHBondContact O-N 2.73Å; K422-M424 VanDerWaalsContact C-N 3.28Å; K422-M424 PolarHBondContact O-N 2.99Å
425	T	94.8	Very high	91.7	Very high	56 Å²	56	41 Å²	41	34%	0.344	24%	0.239	S	C	.	.	H	α-helix	trans	-104	-16.9	-168.5	64.8	0	0	0	0	113.7	M23 Y421 K422 S427	M23-T425 HydrophobicContact CE-CG2 4.18Å; Y421-T425 HydrophobicContact CD1-CG2 4.49Å; Y421-T425 HydrophobicContact CD2-CG2 4.2Å; Y421-T425 HydrophobicContact CE1-CG2 4.21Å; Y421-T425 WeakPolarHBondContact CE1-OG1 3.03Å; Y421-T425 HydrophobicContact CE2-CG2 3.9Å; Y421-T425 HydrophobicContact CG-CG2 4.49Å; Y421-T425 WeakPolarHBondContact O-CB 3.28Å; Y421-T425 WeakPolarHBondContact O-CG2 3.39Å; Y421-T425 PolarHBondContact O-N 2.88Å; Y421-T425 PolarHBondContact O-OG1 3.15Å; K422-T425 PolarHBondContact O-N 3.16Å; T425-S427 PolarHBondContact O-N 2.77Å; T425-S427 PolarHBondContact OG1-N 3.43Å; T425-S427 PolarHBondContact OG1-O 3.17Å; T425-S427 PolarHBondContact OG1-OG 3.38Å; T425-S427 VanDerWaalsContact OG1-OG 3.06Å
426	G	94.8	Very high	91	Very high	71 Å²	71	44.6 Å²	44.6	73%	0.732	24%	0.24	S	C	*	.	S	Bend	trans	75.4	5.4	-171.7	0	0	0	0	0	114.3	K422	K422-G426 VanDerWaalsContact O-CA 3.32Å; K422-G426 WeakPolarHBondContact O-CA 3.34Å; K422-G426 PolarHBondContact O-N 3.29Å
427	S	93.1	Very high	89.8	Confident	52 Å²	52	47.6 Å²	47.6	36%	0.364	25%	0.253	S	S	.	.	S	Bend	trans	-132	146.7	-175.7	58.5	0	0	0	0	112.2	K422 T425	K422-S427 WeakPolarHBondContact CA-O 3.35Å; T425-S427 PolarHBondContact O-N 2.77Å; T425-S427 PolarHBondContact OG1-N 3.43Å; T425-S427 PolarHBondContact OG1-O 3.17Å; T425-S427 PolarHBondContact OG1-OG 3.38Å; T425-S427 VanDerWaalsContact OG1-OG 3.06Å
428	D	92.9	Very high	88.5	Confident	107 Å²	107	49.9 Å²	49.9	57%	0.572	26%	0.263	S	S	*	.			trans	-61.3	150	173.2	-70.5	-47.8	0	0	0	111.1	K422 D430	K422-D428 VanDerWaalsContact CD-OD1 3.28Å; K422-D428 WeakPolarHBondContact CD-OD1 3.47Å; K422-D428 VanDerWaalsContact CE-OD1 3.27Å; K422-D428 WeakPolarHBondContact CE-OD1 3.27Å; K422-D428 IonicContact NZ-OD1 2.8Å; K422-D428 PolarHBondContact NZ-OD1 2.88Å; K422-D428 IonicContact NZ-OD2 2.88Å; D428-D430 PolarHBondContact O-N 3.07Å
429	F	88.8	Confident	86.9	Confident	17 Å²	17	52.7 Å²	52.7	8%	0.075	28%	0.277	C	S	.	.			trans	-69.5	102.4	175.5	-171.2	-88.4	0	0	0	110.2	I22 M90 K418 Y421 F431 M434	I22-F429 HydrophobicContact CD1-CE2 3.72Å; I22-F429 HydrophobicContact CD1-CZ 4.21Å; I22-F429 HydrophobicContact CG1-CE2 4.26Å; I22-F429 HydrophobicContact CG2-CE2 4.1Å; M90-F429 HydrophobicContact CE-CD1 4.13Å; M90-F429 HydrophobicContact CE-CE1 4.09Å; M90-F429 HydrophobicContact CE-CG 4.48Å; M90-F429 HydrophobicContact CE-CZ 4.41Å; M90-F429 HydrophobicContact CG-CE1 4.19Å; M90-F429 HydrophobicContact CG-CZ 4.24Å; K418-F429 HydrophobicContact CG-CB 4.17Å; Y421-F429 HydrophobicContact CD1-CB 3.82Å; Y421-F429 AromaticContact CD1-CD2 3.77Å; Y421-F429 HydrophobicContact CD1-CD2 3.77Å; Y421-F429 HydrophobicContact CD1-CG 4.31Å; Y421-F429 AromaticContact CD2-CD2 3.87Å; Y421-F429 HydrophobicContact CD2-CD2 3.87Å; Y421-F429 HydrophobicContact CD2-CE2 4.35Å; Y421-F429 HydrophobicContact CE1-CB 4.1Å; Y421-F429 AromaticContact CE1-CD2 3.9Å; Y421-F429 HydrophobicContact CE1-CD2 3.9Å; Y421-F429 HydrophobicContact CE1-CG 4.44Å; Y421-F429 AromaticContact CE2-CD2 3.98Å; Y421-F429 HydrophobicContact CE2-CD2 3.98Å; Y421-F429 HydrophobicContact CE2-CE2 4.31Å; Y421-F429 HydrophobicContact CG-CB 4.46Å; Y421-F429 AromaticContact CG-CD2 3.76Å; Y421-F429 HydrophobicContact CG-CD2 3.76Å; Y421-F429 AromaticContact CZ-CD2 3.98Å; F429-F431 HydrophobicContact CD1-CD1 4.25Å; F429-F431 AromaticContact CD1-CD2 3.84Å; F429-F431 HydrophobicContact CD1-CD2 3.84Å; F429-F431 HydrophobicContact CD1-CE1 4.16Å; F429-F431 AromaticContact CD1-CE2 3.73Å; F429-F431 HydrophobicContact CD1-CE2 3.73Å; F429-F431 HydrophobicContact CD1-CG 4.1Å; F429-F431 AromaticContact CD1-CZ 3.88Å; F429-F431 HydrophobicContact CD1-CZ 3.88Å; F429-F431 AromaticContact CE1-CD1 3.66Å; F429-F431 HydrophobicContact CE1-CD1 3.66Å; F429-F431 HydrophobicContact CE1-CD2 4.1Å; F429-F431 AromaticContact CE1-CE1 3.62Å; F429-F431 HydrophobicContact CE1-CE1 3.62Å; F429-F431 HydrophobicContact CE1-CE2 4.06Å; F429-F431 AromaticContact CE1-CG 3.9Å; F429-F431 HydrophobicContact CE1-CG 3.9Å; F429-F431 AromaticContact CE1-CZ 3.81Å; F429-F431 HydrophobicContact CE1-CZ 3.81Å; F429-M434 HydrophobicContact CE1-CG 4.45Å; F429-M434 HydrophobicContact CE2-CG 4.21Å; F429-M434 HydrophobicContact CZ-CG 3.93Å
430	D	87.4	Confident	85.5	Confident	66 Å²	66	57.1 Å²	57.1	35%	0.353	30%	0.301	S	S	.	.			trans	-88.6	104.8	176	-177	3.3	0	0	0	110.8	D428 A432 E433 M434 R436	D428-D430 PolarHBondContact O-N 3.07Å; D430-A432 VanDerWaalsContact C-N 3.26Å; D430-A432 PolarHBondContact O-N 3.2Å; D430-A432 WeakPolarHBondContact OD1-CA 3.3Å; D430-A432 WeakPolarHBondContact OD1-CB 3.45Å; D430-A432 PolarHBondContact OD1-N 3.18Å; D430-E433 HydrophobicContact CB-CB 3.81Å; D430-E433 VanDerWaalsContact CG-N 3.34Å; D430-E433 PolarHBondContact O-N 3.01Å; D430-E433 PolarHBondContact OD1-N 3.04Å; D430-E433 WeakPolarHBondContact OD2-CB 3.41Å; D430-E433 PolarHBondContact OD2-N 3.09Å; D430-M434 WeakPolarHBondContact O-CG 3.39Å; D430-M434 PolarHBondContact O-N 3.43Å; D430-M434 VanDerWaalsContact O-N 3.14Å; D430-R436 IonicContact OD2-NH2 3.6Å
431	F	84.6	Confident	84	Confident	19 Å²	19	60.2 Å²	60.2	8%	0.083	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-35.1	174.6	-74.4	-88	0	0	0	112.7	Q86 R89 M90 I93 F429 M434 E435	Q86-F431 HydrophobicContact CB-CZ 3.91Å; Q86-F431 HydrophobicContact CG-CE2 4.35Å; Q86-F431 HydrophobicContact CG-CZ 4.14Å; R89-F431 HydrophobicContact CB-CD1 4.07Å; R89-F431 HydrophobicContact CB-CE1 3.82Å; R89-F431 HydrophobicContact CG-CD1 3.58Å; R89-F431 HydrophobicContact CG-CE1 3.88Å; R89-F431 HydrophobicContact CG-CG 4.5Å; M90-F431 HydrophobicContact CE-CE1 4.39Å; M90-F431 HydrophobicContact CE-CZ 3.85Å; M90-F431 HydrophobicContact CG-CE1 3.66Å; M90-F431 HydrophobicContact CG-CZ 4.05Å; I93-F431 HydrophobicContact CD1-CB 4.31Å; I93-F431 HydrophobicContact CD1-CD1 3.53Å; I93-F431 HydrophobicContact CD1-CE1 4.35Å; I93-F431 HydrophobicContact CD1-CG 4.4Å; F429-F431 HydrophobicContact CD1-CD1 4.25Å; F429-F431 AromaticContact CD1-CD2 3.84Å; F429-F431 HydrophobicContact CD1-CD2 3.84Å; F429-F431 HydrophobicContact CD1-CE1 4.16Å; F429-F431 AromaticContact CD1-CE2 3.73Å; F429-F431 HydrophobicContact CD1-CE2 3.73Å; F429-F431 HydrophobicContact CD1-CG 4.1Å; F429-F431 AromaticContact CD1-CZ 3.88Å; F429-F431 HydrophobicContact CD1-CZ 3.88Å; F429-F431 AromaticContact CE1-CD1 3.66Å; F429-F431 HydrophobicContact CE1-CD1 3.66Å; F429-F431 HydrophobicContact CE1-CD2 4.1Å; F429-F431 AromaticContact CE1-CE1 3.62Å; F429-F431 HydrophobicContact CE1-CE1 3.62Å; F429-F431 HydrophobicContact CE1-CE2 4.06Å; F429-F431 AromaticContact CE1-CG 3.9Å; F429-F431 HydrophobicContact CE1-CG 3.9Å; F429-F431 AromaticContact CE1-CZ 3.81Å; F429-F431 HydrophobicContact CE1-CZ 3.81Å; F431-M434 PolarHBondContact O-N 3.33Å; F431-E435 WeakPolarHBondContact O-CB 3.41Å; F431-E435 VanDerWaalsContact O-CG 3.31Å; F431-E435 WeakPolarHBondContact O-CG 3.28Å; F431-E435 PolarHBondContact O-N 2.95Å
432	A	83.1	Confident	82.7	Confident	34 Å²	34	62.4 Å²	62.4	28%	0.281	33%	0.326	S	S	.	.	H	α-helix	trans	-72.7	-37.3	-179.5	0	0	0	0	0	111.6	D430 M434 E435 R436	D430-A432 VanDerWaalsContact C-N 3.26Å; D430-A432 PolarHBondContact O-N 3.2Å; D430-A432 WeakPolarHBondContact OD1-CA 3.3Å; D430-A432 WeakPolarHBondContact OD1-CB 3.45Å; D430-A432 PolarHBondContact OD1-N 3.18Å; A432-M434 VanDerWaalsContact C-N 3.32Å; A432-E435 PolarHBondContact O-N 2.93Å; A432-R436 WeakPolarHBondContact O-CG 3.48Å; A432-R436 PolarHBondContact O-N 2.89Å; A432-R436 PolarHBondContact O-NH1 3.05Å
433	E	82.7	Confident	80.9	Confident	49 Å²	49	59.5 Å²	59.5	23%	0.229	32%	0.324	C	S	.	.	H	α-helix	trans	-59	-46.3	170.7	-172.9	-158.7	145.7	0	0	110.9	K26 D430 R436 K437	K26-E433 IonicContact NZ-OE1 3.73Å; K26-E433 PolarHBondContact NZ-OE1 3.32Å; D430-E433 HydrophobicContact CB-CB 3.81Å; D430-E433 VanDerWaalsContact CG-N 3.34Å; D430-E433 PolarHBondContact O-N 3.01Å; D430-E433 PolarHBondContact OD1-N 3.04Å; D430-E433 WeakPolarHBondContact OD2-CB 3.41Å; D430-E433 PolarHBondContact OD2-N 3.09Å; E433-R436 VanDerWaalsContact CA-NH2 3.28Å; E433-R436 PolarHBondContact O-N 3.32Å; E433-K437 PolarHBondContact O-N 3.21Å; E433-K437 WeakPolarHBondContact OE1-CE 3.26Å; E433-K437 IonicContact OE1-NZ 2.71Å; E433-K437 PolarHBondContact OE1-NZ 3.29Å
434	M	78.1	Confident	78.6	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-69.1	-34.8	-177.8	-65	-71.2	-62.8	0	0	112	I22 V25 K26 I93 F429 D430 F431 A432 K437 K438	I22-M434 HydrophobicContact CG2-CE 3.99Å; V25-M434 HydrophobicContact CG1-CE 4.31Å; K26-M434 HydrophobicContact CD-SD 3.96Å; K26-M434 HydrophobicContact CG-CE 4.35Å; K26-M434 HydrophobicContact CG-SD 4Å; I93-M434 HydrophobicContact CD1-CB 4.4Å; I93-M434 HydrophobicContact CG2-CB 3.6Å; I93-M434 HydrophobicContact CG2-CE 4.43Å; F429-M434 HydrophobicContact CE1-CG 4.45Å; F429-M434 HydrophobicContact CE2-CG 4.21Å; F429-M434 HydrophobicContact CZ-CG 3.93Å; D430-M434 WeakPolarHBondContact O-CG 3.39Å; D430-M434 PolarHBondContact O-N 3.43Å; D430-M434 VanDerWaalsContact O-N 3.14Å; F431-M434 PolarHBondContact O-N 3.33Å; A432-M434 VanDerWaalsContact C-N 3.32Å; M434-K437 PolarHBondContact O-N 3.15Å; M434-K438 WeakPolarHBondContact O-CB 3.32Å; M434-K438 PolarHBondContact O-N 2.77Å
435	E	78.8	Confident	76.3	Confident	76 Å²	76	68 Å²	68	36%	0.355	38%	0.382	S	S	.	.	H	α-helix	trans	-64.2	-40.6	171.5	-77	168.3	-171.1	0	0	112.4	R89 I93 F431 A432 K438 Q439	R89-E435 IonicContact CZ-OE1 3.88Å; R89-E435 VanDerWaalsContact CZ-OE1 3.28Å; R89-E435 IonicContact NE-OE1 2.79Å; R89-E435 PolarHBondContact NE-OE1 2.98Å; R89-E435 IonicContact NH2-OE1 2.94Å; R89-E435 PolarHBondContact NH2-OE1 2.98Å; R89-E435 IonicContact NH2-OE2 3.94Å; R89-E435 PolarHBondContact NH2-OE2 2.61Å; I93-E435 HydrophobicContact CD1-CG 3.93Å; I93-E435 HydrophobicContact CG1-CG 3.71Å; F431-E435 WeakPolarHBondContact O-CB 3.41Å; F431-E435 VanDerWaalsContact O-CG 3.31Å; F431-E435 WeakPolarHBondContact O-CG 3.28Å; F431-E435 PolarHBondContact O-N 2.95Å; A432-E435 PolarHBondContact O-N 2.93Å; E435-K438 WeakPolarHBondContact O-CB 3.29Å; E435-K438 PolarHBondContact O-N 3.37Å; E435-Q439 PolarHBondContact O-N 2.96Å
436	R	78.9	Confident	73.8	Confident	134 Å²	134	68.4 Å²	68.4	51%	0.506	39%	0.391	S	S	.	.	H	α-helix	trans	-62.9	-48.3	173.8	-71.9	-175.9	-64.2	-89.8	3.2	111.4	D430 A432 E433 K438 Q439 D440	D430-R436 IonicContact OD2-NH2 3.6Å; A432-R436 WeakPolarHBondContact O-CG 3.48Å; A432-R436 PolarHBondContact O-N 2.89Å; A432-R436 PolarHBondContact O-NH1 3.05Å; E433-R436 VanDerWaalsContact CA-NH2 3.28Å; E433-R436 PolarHBondContact O-N 3.32Å; R436-K438 VanDerWaalsContact C-N 3.26Å; R436-K438 PolarHBondContact O-N 3.08Å; R436-Q439 WeakPolarHBondContact O-CB 3.44Å; R436-Q439 PolarHBondContact O-N 2.95Å; R436-D440 PolarHBondContact O-N 3.45Å
437	K	71.8	Confident	71	Confident	69 Å²	69	73.9 Å²	73.9	30%	0.3	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-32.4	177.3	-78.2	-179.3	171.2	169	0	113.3	E433 M434 Q439 D440 I441	E433-K437 PolarHBondContact O-N 3.21Å; E433-K437 WeakPolarHBondContact OE1-CE 3.26Å; E433-K437 IonicContact OE1-NZ 2.71Å; E433-K437 PolarHBondContact OE1-NZ 3.29Å; M434-K437 PolarHBondContact O-N 3.15Å; K437-Q439 VanDerWaalsContact C-N 3.3Å; K437-Q439 PolarHBondContact O-N 3.14Å; K437-D440 PolarHBondContact O-N 2.68Å; K437-I441 HydrophobicContact CB-CD1 4.48Å; K437-I441 WeakPolarHBondContact O-CB 3.44Å; K437-I441 WeakPolarHBondContact O-CD1 3.06Å; K437-I441 VanDerWaalsContact O-CG1 3.24Å; K437-I441 WeakPolarHBondContact O-CG1 3.3Å; K437-I441 PolarHBondContact O-N 2.66Å
438	K	68.9	Low	68.1	Low	48 Å²	48	77.5 Å²	77.5	21%	0.209	42%	0.417	C	S	.	.	H	α-helix	trans	-58.1	-42.6	173.1	173.7	-171.7	169.8	173.6	0	111.2	L92 Q95 M434 E435 R436 D440 I441 F442	L92-K438 PolarHBondContact O-NZ 2.6Å; Q95-K438 HydrophobicContact CG-CD 4.24Å; Q95-K438 HydrophobicContact CG-CG 4.26Å; M434-K438 WeakPolarHBondContact O-CB 3.32Å; M434-K438 PolarHBondContact O-N 2.77Å; E435-K438 WeakPolarHBondContact O-CB 3.29Å; E435-K438 PolarHBondContact O-N 3.37Å; R436-K438 VanDerWaalsContact C-N 3.26Å; R436-K438 PolarHBondContact O-N 3.08Å; K438-D440 VanDerWaalsContact C-N 3.35Å; K438-I441 PolarHBondContact O-N 2.94Å; K438-F442 HydrophobicContact CB-CD2 4.48Å; K438-F442 HydrophobicContact CG-CD2 3.89Å; K438-F442 HydrophobicContact CG-CE2 4.43Å; K438-F442 WeakPolarHBondContact O-CB 3.26Å; K438-F442 WeakPolarHBondContact O-CD2 3.34Å; K438-F442 PolarHBondContact O-N 3.33Å
439	Q	62.9	Low	65.3	Low	122 Å²	122	81.4 Å²	81.4	57%	0.57	45%	0.453	S	S	*	.	H	α-helix	trans	-63.2	-42.9	177.2	-69.8	177.5	-29	0	0	111.2	E435 R436 K437 I441 G443	E435-Q439 PolarHBondContact O-N 2.96Å; R436-Q439 WeakPolarHBondContact O-CB 3.44Å; R436-Q439 PolarHBondContact O-N 2.95Å; K437-Q439 VanDerWaalsContact C-N 3.3Å; K437-Q439 PolarHBondContact O-N 3.14Å; Q439-I441 VanDerWaalsContact C-N 3.32Å; Q439-I441 PolarHBondContact O-N 3.12Å; Q439-G443 VanDerWaalsContact O-CA 3.29Å; Q439-G443 WeakPolarHBondContact O-CA 3.23Å; Q439-G443 PolarHBondContact O-N 3.41Å
440	D	67.1	Low	64.1	Low	138 Å²	138	84.7 Å²	84.7	74%	0.738	47%	0.472	S	S	*	.	H	α-helix	trans	-63.3	-37.5	178.9	-61.9	-28.4	0	0	0	112.8	R436 K437 K438	R436-D440 PolarHBondContact O-N 3.45Å; K437-D440 PolarHBondContact O-N 2.68Å; K438-D440 VanDerWaalsContact C-N 3.35Å
441	I	67.9	Low	62.9	Low	66 Å²	66	85.6 Å²	85.6	34%	0.338	48%	0.478	S	S	.	.	H	α-helix	trans	-84.5	-37.4	-173.3	-69	168.1	0	0	0	112.5	V25 F245 K437 K438 Q439	V25-I441 HydrophobicContact CG1-CD1 3.76Å; V25-I441 WeakPolarHBondContact O-CD1 3.46Å; F245-I441 HydrophobicContact CE1-CG2 3.4Å; F245-I441 HydrophobicContact CZ-CG2 3.43Å; F245-I441 VanDerWaalsContact CZ-CG2 3.43Å; K437-I441 HydrophobicContact CB-CD1 4.48Å; K437-I441 WeakPolarHBondContact O-CB 3.44Å; K437-I441 WeakPolarHBondContact O-CD1 3.06Å; K437-I441 VanDerWaalsContact O-CG1 3.24Å; K437-I441 WeakPolarHBondContact O-CG1 3.3Å; K437-I441 PolarHBondContact O-N 2.66Å; K438-I441 PolarHBondContact O-N 2.94Å; Q439-I441 VanDerWaalsContact C-N 3.32Å; Q439-I441 PolarHBondContact O-N 3.12Å
442	F	68.8	Low	61.6	Low	45 Å²	45	89.3 Å²	89.3	20%	0.197	50%	0.5	C	S	.	.	H	α-helix	trans	-113.8	-7.6	-170.9	-60	-79.9	0	0	0	114.3	Q95 L241 F245 K438	Q95-F442 HydrophobicContact CB-CE2 4.48Å; Q95-F442 HydrophobicContact CB-CZ 4.26Å; Q95-F442 HydrophobicContact CG-CD2 3.96Å; Q95-F442 HydrophobicContact CG-CE1 4.49Å; Q95-F442 HydrophobicContact CG-CE2 3.8Å; Q95-F442 HydrophobicContact CG-CG 4.35Å; Q95-F442 HydrophobicContact CG-CZ 4.05Å; Q95-F442 VanDerWaalsContact OE1-CG 3.26Å; L241-F442 HydrophobicContact CD1-CZ 4.4Å; F245-F442 AromaticContact CE2-CE1 4Å; F245-F442 HydrophobicContact CE2-CE1 4Å; F245-F442 AromaticContact CE2-CZ 3.65Å; F245-F442 HydrophobicContact CE2-CZ 3.65Å; F245-F442 AromaticContact CZ-CE1 3.69Å; F245-F442 HydrophobicContact CZ-CE1 3.69Å; F245-F442 HydrophobicContact CZ-CE2 4.14Å; F245-F442 AromaticContact CZ-CZ 3.4Å; F245-F442 HydrophobicContact CZ-CZ 3.4Å; F245-F442 VanDerWaalsContact CZ-CZ 3.4Å; K438-F442 HydrophobicContact CB-CD2 4.48Å; K438-F442 HydrophobicContact CG-CD2 3.89Å; K438-F442 HydrophobicContact CG-CE2 4.43Å; K438-F442 WeakPolarHBondContact O-CB 3.26Å; K438-F442 WeakPolarHBondContact O-CD2 3.34Å; K438-F442 PolarHBondContact O-N 3.33Å
443	G	59.4	Low	60.4	Low	35 Å²	35	92.6 Å²	92.6	36%	0.361	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	179	-177.6	0	0	0	0	0	114.8	Q439 A445	Q439-G443 VanDerWaalsContact O-CA 3.29Å; Q439-G443 WeakPolarHBondContact O-CA 3.23Å; Q439-G443 PolarHBondContact O-N 3.41Å; G443-A445 PolarHBondContact O-N 2.65Å
444	D	49.5	Very low	59	Low	149 Å²	149	95.3 Å²	95.3	80%	0.797	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	14.9	178.7	-78.4	-24.1	0	0	0	114.9	A446	D444-A446 PolarHBondContact O-N 2.81Å
445	A	47.7	Very low	57.7	Low	74 Å²	74	101.6 Å²	101.6	61%	0.612	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	22.2	173.6	0	0	0	0	0	113.2	G443	G443-A445 PolarHBondContact O-N 2.65Å
446	A	43.8	Very low	56.2	Low	64 Å²	64	103.4 Å²	103.4	53%	0.529	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.1	-2.5	-172.6	0	0	0	0	0	114.3	D444	D444-A446 PolarHBondContact O-N 2.81Å
447	E	36	Very low	54.5	Low	186 Å²	186	101.1 Å²	101.1	87%	0.869	59%	0.586	S	S	*	*			trans	-111.2	65.6	171.5	-69.6	-166.4	168.1	0	0	111.4
448	V	31.5	Very low	53	Low	129 Å²	129	103.8 Å²	103.8	78%	0.782	61%	0.61	S	S	*	*			trans	-141.8	117	158.2	-169.2	0	0	0	0	110.4
449	S	32.9	Very low	51.6	Low	189 Å²	189	108.8 Å²	108.8	100%	1.322	65%	0.647	S	S	*	*			trans	64.5	0	165.9	71.6	0	0	0	0	119.3

Retrieved 449 of 449 residues in 831.4 ms (Link to these results)

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