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Rab GDP dissociation inhibitor

Regulates the GDP/GTP exchange reaction of most RAB proteins by inhibiting the dissociation of GDP from them, and the subsequent binding of GTP. Regulates the GDP/GTP exchange reaction of most Rab proteins by inhibiting the dissociation of GDP from them, and the subsequent binding of GTP to them. Promotes the dissociation of GDP-bound Rab proteins from the membrane and inhibits their activation. Promotes the dissociation of RAB1A, RAB3A, RAB5A and RAB10 from membranes.

AlphaFold DB (A0A4W5R002), UniProt , Accession A0A060WXA9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110532629, Length 447 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	60.3	Low	89.6	Confident	62 Å²	62	43.4 Å²	43.4	31%	0.305	21%	0.212	S	C	.	.				0	157.2	0	-81.9	158.4	-84.5	0	0	108.5	L31 M33 M250 K253 E273 A275	M1-L31 HydrophobicContact CG-CD2 4.32Å; M1-L31 HydrophobicContact SD-CD2 3.98Å; M1-M33 HydrophobicContact SD-CE 4.44Å; M1-M33 HydrophobicContact SD-SD 4.4Å; M1-M250 HydrophobicContact CG-CE 3.46Å; M1-M250 VanDerWaalsContact CG-CE 3.46Å; M1-M250 HydrophobicContact CG-SD 3.79Å; M1-M250 HydrophobicContact SD-SD 4.12Å; M1-K253 VanDerWaalsContact CE-CE 3.41Å; M1-E273 HydrophobicContact CE-CB 4.17Å; M1-E273 PolarHBondContact N-OE2 3.43Å; M1-A275 HydrophobicContact SD-CB 4.16Å
2	D	65.6	Low	90.2	Very high	90 Å²	90	39.8 Å²	39.8	48%	0.481	19%	0.194	S	C	.	.			trans	-60.6	154.3	161.2	-71.8	-7.7	0	0	0	109.7	Y5 K29	D2-Y5 HydrophobicContact CB-CE1 4.37Å; D2-Y5 HydrophobicContact CB-CE2 4.2Å; D2-Y5 PolarHBondContact N-OH 3.43Å; D2-Y5 WeakPolarHBondContact O-CE2 3.48Å; D2-K29 VanDerWaalsContact OD2-CE 3.25Å; D2-K29 WeakPolarHBondContact OD2-CE 3.05Å; D2-K29 IonicContact OD2-NZ 2.71Å; D2-K29 PolarHBondContact OD2-NZ 2.96Å
3	E	79.6	Confident	90.7	Very high	166 Å²	166	37 Å²	37	78%	0.776	18%	0.182	S	C	*	.	S	Bend	trans	-74.2	-27.7	-174.8	-67.2	-172.8	167.4	0	0	113.7	R276	E3-R276 WeakPolarHBondContact O-CB 3.45Å; E3-R276 PolarHBondContact O-N 2.9Å
4	E	94.1	Very high	90.9	Very high	117 Å²	117	34.8 Å²	34.8	55%	0.547	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	-140.8	136.4	-173.2	-164.2	-180	169.3	0	0	113.3	K29 R276	E4-K29 PolarHBondContact O-NZ 3.48Å; E4-R276 HydrophobicContact CG-CB 4.37Å
5	Y	97.1	Very high	91.3	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.02	16%	0.16	C	C	.	.			trans	-130.4	157.5	176.6	-59.6	-91.7	0	0	0	110.4	D2 K29 L31 A275 R276 C277	D2-Y5 HydrophobicContact CB-CE1 4.37Å; D2-Y5 HydrophobicContact CB-CE2 4.2Å; D2-Y5 PolarHBondContact N-OH 3.43Å; D2-Y5 WeakPolarHBondContact O-CE2 3.48Å; Y5-K29 HydrophobicContact CD1-CD 4.09Å; Y5-K29 HydrophobicContact CD1-CG 3.92Å; Y5-L31 HydrophobicContact CD1-CB 3.53Å; Y5-L31 HydrophobicContact CD2-CB 3.87Å; Y5-L31 HydrophobicContact CD2-CD2 4Å; Y5-L31 HydrophobicContact CE1-CB 3.59Å; Y5-L31 HydrophobicContact CE1-CG 4.47Å; Y5-L31 HydrophobicContact CE2-CB 3.9Å; Y5-L31 HydrophobicContact CE2-CD2 3.59Å; Y5-L31 HydrophobicContact CE2-CG 4.27Å; Y5-L31 HydrophobicContact CG-CB 3.68Å; Y5-A275 HydrophobicContact CD2-CB 4.26Å; Y5-A275 HydrophobicContact CE2-CB 4.02Å; Y5-R276 PolarHBondContact N-O 2.97Å; Y5-C277 WeakPolarHBondContact O-CA 3.35Å
6	D	97.4	Very high	91.7	Very high	36 Å²	36	30.6 Å²	30.6	19%	0.193	15%	0.151	C	C	.	.	S	Bend	trans	-74	-44.1	170.7	-69.3	-56	0	0	0	110.4	K28 K29 K278 Q279	D6-K28 HydrophobicContact CB-CB 4.11Å; D6-K28 HydrophobicContact CB-CD 4.05Å; D6-K29 PolarHBondContact N-O 2.86Å; D6-K29 PolarHBondContact OD2-N 2.77Å; D6-K278 WeakPolarHBondContact O-CB 3.37Å; D6-K278 PolarHBondContact O-N 2.85Å; D6-K278 IonicContact OD1-NZ 2.8Å; D6-K278 PolarHBondContact OD1-NZ 2.74Å; D6-Q279 PolarHBondContact O-N 3.16Å
7	V	98.1	Very high	91.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.3	-177	-173.6	0	0	0	0	109.5	V9 K29 V30 L31 Q279 I281 M424	V7-V9 HydrophobicContact CG1-CG2 4.05Å; V7-K29 PolarHBondContact N-O 2.88Å; V7-V30 HydrophobicContact CB-CG2 4.48Å; V7-V30 WeakPolarHBondContact O-CA 3.45Å; V7-L31 PolarHBondContact O-N 2.68Å; V7-Q279 WeakPolarHBondContact CA-O 3.22Å; V7-I281 HydrophobicContact CG1-CD1 4.02Å; V7-I281 HydrophobicContact CG1-CG1 3.94Å; V7-M424 HydrophobicContact CG1-CE 4.14Å; V7-M424 HydrophobicContact CG2-CE 4.37Å
8	I	98.6	Very high	92	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140.2	162.5	-70.7	170.2	0	0	0	108.5	L10 L31 V268 A275 C277 Q279 L280 I281	I8-L10 HydrophobicContact CG2-CD2 3.75Å; I8-L10 HydrophobicContact CG2-CG 4.28Å; I8-L31 CarbonylContact C-O 3.58Å; I8-L31 VanDerWaalsContact CA-O 3.27Å; I8-L31 WeakPolarHBondContact CA-O 3.27Å; I8-L31 HydrophobicContact CD1-CD2 4.27Å; I8-L31 HydrophobicContact CG1-CB 4.08Å; I8-L31 HydrophobicContact CG1-CD2 4.18Å; I8-L31 HydrophobicContact CG1-CG 4.46Å; I8-V268 HydrophobicContact CB-CG2 4.43Å; I8-V268 HydrophobicContact CD1-CB 4.16Å; I8-V268 HydrophobicContact CD1-CG2 4.05Å; I8-V268 HydrophobicContact CG2-CB 4.44Å; I8-V268 HydrophobicContact CG2-CG2 3.82Å; I8-A275 HydrophobicContact CD1-CB 3.93Å; I8-A275 VanDerWaalsContact CD1-O 3.32Å; I8-A275 WeakPolarHBondContact CD1-O 3.09Å; I8-C277 HydrophobicContact CB-CB 4.13Å; I8-C277 HydrophobicContact CD1-CB 3.64Å; I8-C277 HydrophobicContact CG1-CB 3.64Å; I8-Q279 PolarHBondContact N-O 3.05Å; I8-L280 HydrophobicContact CB-CD1 3.88Å; I8-L280 HydrophobicContact CG2-CD1 3.68Å; I8-L280 CarbonylContact O-C 3.57Å; I8-L280 WeakPolarHBondContact O-CA 3.45Å; I8-L280 WeakPolarHBondContact O-CD1 3.45Å; I8-I281 PolarHBondContact O-N 2.95Å
9	V	98.6	Very high	92.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.1	177.2	-174.7	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 3.68Å; V9-E16 HydrophobicContact CG1-CG 4.11Å; V9-V30 HydrophobicContact CG2-CG1 3.85Å; V9-L31 PolarHBondContact N-O 2.91Å; V9-H32 HydrophobicContact CB-CB 4.3Å; V9-H32 VanDerWaalsContact CG1-CE1 3.49Å; V9-H32 WeakPolarHBondContact CG1-CE1 3.41Å; V9-H32 CarbonylContact O-C 3.5Å; V9-H32 WeakPolarHBondContact O-CA 3.24Å; V9-M33 PolarHBondContact O-N 3.42Å; V9-I281 CarbonylContact C-O 3.49Å; V9-I281 VanDerWaalsContact CA-O 3.3Å; V9-I281 WeakPolarHBondContact CA-O 3.41Å; V9-I281 HydrophobicContact CB-CB 4.5Å; V9-I281 HydrophobicContact CG1-CB 4.21Å; V9-I281 HydrophobicContact CG1-CG2 4.45Å; V9-I281 HydrophobicContact CG2-CB 4.16Å; V9-I281 HydrophobicContact CG2-CD1 4.14Å; V9-I281 HydrophobicContact CG2-CG1 4.38Å
10	L	98.5	Very high	92.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.7	-179.7	-53.3	179.3	0	0	0	111.2	I8 M33 V255 I258 V268 L280 I281 C282 D283 Y286	I8-L10 HydrophobicContact CG2-CD2 3.75Å; I8-L10 HydrophobicContact CG2-CG 4.28Å; L10-M33 CarbonylContact C-O 3.59Å; L10-M33 WeakPolarHBondContact CA-O 3.12Å; L10-M33 HydrophobicContact CD2-CB 4.01Å; L10-M33 HydrophobicContact CD2-SD 4.34Å; L10-V255 HydrophobicContact CD1-CG1 4.31Å; L10-V255 HydrophobicContact CD1-CG2 4.15Å; L10-V255 HydrophobicContact CD2-CG2 3.84Å; L10-I258 HydrophobicContact CD1-CD1 4.41Å; L10-I258 HydrophobicContact CD1-CG1 4.41Å; L10-V268 HydrophobicContact CD1-CG1 4.5Å; L10-V268 HydrophobicContact CD1-CG2 4.29Å; L10-V268 HydrophobicContact CD2-CG1 4.29Å; L10-V268 HydrophobicContact CD2-CG2 4.46Å; L10-L280 HydrophobicContact CD1-CD1 3.86Å; L10-L280 HydrophobicContact CD1-CD2 4.26Å; L10-L280 HydrophobicContact CG-CD1 3.77Å; L10-I281 PolarHBondContact N-O 3.24Å; L10-C282 HydrophobicContact CB-CB 3.83Å; L10-C282 HydrophobicContact CD1-CB 4.45Å; L10-C282 HydrophobicContact CG-CB 4.44Å; L10-C282 VanDerWaalsContact O-CA 3.3Å; L10-C282 WeakPolarHBondContact O-CA 3.2Å; L10-D283 PolarHBondContact O-N 3.32Å; L10-Y286 HydrophobicContact CB-CD1 3.75Å; L10-Y286 HydrophobicContact CB-CD2 3.87Å; L10-Y286 HydrophobicContact CB-CE1 3.88Å; L10-Y286 HydrophobicContact CB-CE2 3.99Å; L10-Y286 HydrophobicContact CB-CG 3.76Å; L10-Y286 HydrophobicContact CD1-CD1 3.78Å; L10-Y286 HydrophobicContact CD1-CE1 4.44Å; L10-Y286 HydrophobicContact CD1-CG 4.09Å; L10-Y286 HydrophobicContact CG-CD1 4.33Å
11	G	97.8	Very high	92.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.			trans	92.1	136.3	-175.5	0	0	0	0	0	111.8	E16 H32 M33	G11-E16 WeakPolarHBondContact O-CB 3.48Å; G11-E16 WeakPolarHBondContact O-CG 3.47Å; G11-H32 PolarHBondContact O-NE2 3.39Å; G11-M33 PolarHBondContact N-O 2.8Å
12	T	97	Very high	93.8	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	10%	0.1	C	C	.	.			trans	-102.6	33	-176.8	56.6	0	0	0	0	112.4	D34 Y39 G40 Y249 L251	T12-D34 WeakPolarHBondContact CB-OD2 3.21Å; T12-D34 HydrophobicContact CG2-CB 3.86Å; T12-D34 PolarHBondContact N-OD2 3.27Å; T12-D34 PolarHBondContact OG1-OD2 3.11Å; T12-Y39 HydrophobicContact CG2-CD1 3.76Å; T12-Y39 HydrophobicContact CG2-CE1 4.12Å; T12-Y39 VanDerWaalsContact OG1-CA 3.32Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.44Å; T12-G40 CarbonylContact O-C 3.53Å; T12-G40 WeakPolarHBondContact O-CA 3.28Å; T12-G40 PolarHBondContact O-N 2.95Å; T12-G40 VanDerWaalsContact O-N 3.09Å; T12-G40 PolarHBondContact OG1-N 3.33Å; T12-Y249 HydrophobicContact CG2-CD1 4.46Å; T12-Y249 HydrophobicContact CG2-CE1 4.33Å; T12-L251 HydrophobicContact CG2-CD2 4.12Å
13	G	95.8	Very high	95	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.031	8%	0.079	C	C	.	.			trans	-59.5	159.7	167.2	0	0	0	0	0	111	T15 E16 C17	G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.04Å; G13-E16 WeakPolarHBondContact CA-OE2 3.29Å; G13-E16 PolarHBondContact O-N 3.21Å; G13-C17 WeakPolarHBondContact O-CB 3.3Å; G13-C17 PolarHBondContact O-N 3.03Å; G13-C17 PolarHBondContact O-SG 2.88Å
14	L	93.9	Very high	95.6	Very high	6 Å²	6	8.5 Å²	8.5	3%	0.031	4%	0.042	C	C	.	.	H	α-helix	trans	-57.4	-42.3	179.9	-177.3	62.9	0	0	0	112.8	C17 I18 L87 L234 Y404 F410	L14-C17 PolarHBondContact O-N 3.26Å; L14-I18 HydrophobicContact CD1-CD1 3.76Å; L14-I18 HydrophobicContact CD1-CG1 4.06Å; L14-I18 HydrophobicContact CD2-CD1 4.27Å; L14-I18 HydrophobicContact CG-CD1 3.63Å; L14-I18 HydrophobicContact CG-CG1 4.35Å; L14-I18 WeakPolarHBondContact O-CB 3.3Å; L14-I18 WeakPolarHBondContact O-CD1 3.35Å; L14-I18 VanDerWaalsContact O-CG1 3.27Å; L14-I18 WeakPolarHBondContact O-CG1 3.4Å; L14-I18 PolarHBondContact O-N 3.49Å; L14-L87 HydrophobicContact CD2-CD2 4.47Å; L14-L234 HydrophobicContact CD1-CB 3.54Å; L14-L234 HydrophobicContact CD1-CD1 3.87Å; L14-L234 HydrophobicContact CD1-CD2 4.46Å; L14-L234 HydrophobicContact CD1-CG 4.18Å; L14-L234 HydrophobicContact CD2-CD1 4.12Å; L14-Y404 PolarHBondContact N-OH 3.13Å; L14-F410 HydrophobicContact CD2-CD1 3.79Å; L14-F410 HydrophobicContact CD2-CE1 3.13Å; L14-F410 HydrophobicContact CD2-CE2 4.3Å; L14-F410 HydrophobicContact CD2-CZ 3.41Å; L14-F410 VanDerWaalsContact CD2-CZ 3.41Å
15	T	96.7	Very high	95.3	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.006	2%	0.022	C	C	.	.	H	α-helix	trans	-56.4	-52.1	176.9	-62.5	0	0	0	0	111.3	G13 I18 L19 Y404 I417 I420	G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.04Å; T15-I18 PolarHBondContact O-N 3.37Å; T15-L19 HydrophobicContact CG2-CD1 3.95Å; T15-L19 WeakPolarHBondContact O-CG 3.37Å; T15-L19 PolarHBondContact O-N 3.13Å; T15-Y404 PolarHBondContact N-OH 3.39Å; T15-Y404 VanDerWaalsContact N-OH 3.09Å; T15-I417 HydrophobicContact CG2-CG1 3.85Å; T15-I420 HydrophobicContact CG2-CD1 3.77Å
16	E	97.5	Very high	94.8	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.009	4%	0.037	C	C	.	.	H	α-helix	trans	-63.2	-43.1	179.8	-71.3	65.5	-132.9	0	0	111.7	V9 G11 G13 L19 S20 I281 S401	V9-E16 HydrophobicContact CG1-CB 3.68Å; V9-E16 HydrophobicContact CG1-CG 4.11Å; G11-E16 WeakPolarHBondContact O-CB 3.48Å; G11-E16 WeakPolarHBondContact O-CG 3.47Å; G13-E16 WeakPolarHBondContact CA-OE2 3.29Å; G13-E16 PolarHBondContact O-N 3.21Å; E16-L19 PolarHBondContact O-N 3.39Å; E16-S20 WeakPolarHBondContact O-CB 3.42Å; E16-S20 PolarHBondContact O-N 2.84Å; E16-I281 HydrophobicContact CG-CG2 4.42Å; E16-S401 WeakPolarHBondContact OE1-CB 3.27Å; E16-S401 PolarHBondContact OE1-OG 2.9Å
17	C	95.5	Very high	94.5	Very high	0 Å²	0	8 Å²	8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.5	-43	177.5	-78.8	0	0	0	0	112.7	G13 L14 S20 G21 F238	G13-C17 WeakPolarHBondContact O-CB 3.3Å; G13-C17 PolarHBondContact O-N 3.03Å; G13-C17 PolarHBondContact O-SG 2.88Å; L14-C17 PolarHBondContact O-N 3.26Å; C17-S20 PolarHBondContact O-N 3.49Å; C17-G21 PolarHBondContact O-N 3.06Å; C17-F238 HydrophobicContact CB-CB 3.76Å; C17-F238 HydrophobicContact CB-CD2 4.16Å; C17-F238 HydrophobicContact CB-CG 4.11Å; C17-F238 VanDerWaalsContact O-CD1 3.3Å; C17-F238 WeakPolarHBondContact O-CD1 3.5Å; C17-F238 WeakPolarHBondContact O-CG 3.27Å
18	I	94	Very high	94.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.6	-48.2	177.4	-70	162.7	0	0	0	110.5	L14 T15 S20 G21 I22 L87 M90 F238 I417	L14-I18 HydrophobicContact CD1-CD1 3.76Å; L14-I18 HydrophobicContact CD1-CG1 4.06Å; L14-I18 HydrophobicContact CD2-CD1 4.27Å; L14-I18 HydrophobicContact CG-CD1 3.63Å; L14-I18 HydrophobicContact CG-CG1 4.35Å; L14-I18 WeakPolarHBondContact O-CB 3.3Å; L14-I18 WeakPolarHBondContact O-CD1 3.35Å; L14-I18 VanDerWaalsContact O-CG1 3.27Å; L14-I18 WeakPolarHBondContact O-CG1 3.4Å; L14-I18 PolarHBondContact O-N 3.49Å; T15-I18 PolarHBondContact O-N 3.37Å; I18-S20 PolarHBondContact O-N 2.9Å; I18-G21 PolarHBondContact O-N 2.67Å; I18-I22 HydrophobicContact CG2-CD1 3.58Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 WeakPolarHBondContact O-CD1 3.44Å; I18-I22 VanDerWaalsContact O-CG1 3.32Å; I18-I22 WeakPolarHBondContact O-CG1 3.33Å; I18-I22 PolarHBondContact O-N 3.05Å; I18-L87 HydrophobicContact CD1-CD1 3.43Å; I18-L87 VanDerWaalsContact CD1-CD1 3.43Å; I18-M90 HydrophobicContact CG2-SD 4.29Å; I18-F238 HydrophobicContact CB-CE2 4.32Å; I18-F238 HydrophobicContact CB-CZ 4.08Å; I18-F238 HydrophobicContact CD1-CE2 4.43Å; I18-F238 HydrophobicContact CG1-CD2 4.12Å; I18-F238 HydrophobicContact CG1-CE1 4.32Å; I18-F238 HydrophobicContact CG1-CE2 3.35Å; I18-F238 HydrophobicContact CG1-CZ 3.47Å; I18-F238 VanDerWaalsContact CG1-CZ 3.47Å; I18-F238 HydrophobicContact CG2-CZ 4.38Å; I18-I417 HydrophobicContact CB-CD1 4.21Å; I18-I417 HydrophobicContact CD1-CD1 3.49Å; I18-I417 VanDerWaalsContact CD1-CD1 3.49Å; I18-I417 HydrophobicContact CG1-CD1 4.46Å; I18-I417 HydrophobicContact CG2-CD1 4.14Å; I18-I417 HydrophobicContact CG2-CG2 3.98Å
19	L	95.1	Very high	94.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62	-43.8	178.1	-73.4	165.2	0	0	0	111.5	T15 E16 G21 I22 M23 I281 I417 I420	T15-L19 HydrophobicContact CG2-CD1 3.95Å; T15-L19 WeakPolarHBondContact O-CG 3.37Å; T15-L19 PolarHBondContact O-N 3.13Å; E16-L19 PolarHBondContact O-N 3.39Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-G21 PolarHBondContact O-N 2.79Å; L19-I22 PolarHBondContact O-N 3.15Å; L19-M23 WeakPolarHBondContact O-CB 3.44Å; L19-M23 VanDerWaalsContact O-CG 3.25Å; L19-M23 WeakPolarHBondContact O-CG 3.37Å; L19-M23 PolarHBondContact O-N 3.31Å; L19-I281 HydrophobicContact CB-CD1 3.8Å; L19-I281 HydrophobicContact CD1-CD1 4.36Å; L19-I281 HydrophobicContact CD1-CG2 3.95Å; L19-I417 HydrophobicContact CD2-CG2 4.08Å; L19-I417 HydrophobicContact CG-CG2 4.3Å; L19-I420 HydrophobicContact CD1-CB 3.94Å; L19-I420 HydrophobicContact CD1-CD1 3.8Å; L19-I420 HydrophobicContact CD1-CG1 4.48Å; L19-I420 HydrophobicContact CD1-CG2 3.47Å; L19-I420 VanDerWaalsContact CD1-CG2 3.47Å; L19-I420 HydrophobicContact CD2-CB 4.4Å; L19-I420 HydrophobicContact CD2-CG2 4.09Å; L19-I420 HydrophobicContact CG-CG2 4.44Å
20	S	94.9	Very high	94.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-55.9	-46.5	173.6	174.9	0	0	0	0	111.6	E16 C17 I18 M23 S24 H32 Y249	E16-S20 WeakPolarHBondContact O-CB 3.42Å; E16-S20 PolarHBondContact O-N 2.84Å; C17-S20 PolarHBondContact O-N 3.49Å; I18-S20 PolarHBondContact O-N 2.9Å; S20-M23 PolarHBondContact O-N 2.8Å; S20-S24 WeakPolarHBondContact O-CB 3.21Å; S20-S24 PolarHBondContact O-N 3.45Å; S20-S24 PolarHBondContact O-OG 3.09Å; S20-S24 VanDerWaalsContact O-OG 3.06Å; S20-H32 WeakPolarHBondContact CB-ND1 3.25Å; S20-H32 PolarHBondContact OG-ND1 2.92Å; S20-Y249 PolarHBondContact OG-OH 3.28Å; S20-Y249 VanDerWaalsContact OG-OH 3.13Å
21	G	91.9	Very high	94	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62	-46.7	176	0	0	0	0	0	113	C17 I18 L19 M23 S24 V25	C17-G21 PolarHBondContact O-N 3.06Å; I18-G21 PolarHBondContact O-N 2.67Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-G21 PolarHBondContact O-N 2.79Å; G21-M23 PolarHBondContact O-N 3.46Å; G21-S24 PolarHBondContact O-N 2.98Å; G21-V25 WeakPolarHBondContact O-CG2 3.03Å; G21-V25 PolarHBondContact O-N 2.9Å
22	I	91.2	Very high	94	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-45.7	177.6	-70.5	160.3	0	0	0	110.9	I18 L19 V25 N26 T94 I417 Y421 F429	I18-I22 HydrophobicContact CG2-CD1 3.58Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 WeakPolarHBondContact O-CD1 3.44Å; I18-I22 VanDerWaalsContact O-CG1 3.32Å; I18-I22 WeakPolarHBondContact O-CG1 3.33Å; I18-I22 PolarHBondContact O-N 3.05Å; L19-I22 PolarHBondContact O-N 3.15Å; I22-V25 PolarHBondContact O-N 2.89Å; I22-N26 WeakPolarHBondContact O-CB 3.32Å; I22-N26 VanDerWaalsContact O-CG 3.22Å; I22-N26 PolarHBondContact O-N 3.38Å; I22-T94 HydrophobicContact CG1-CG2 3.93Å; I22-I417 HydrophobicContact CD1-CG2 4.44Å; I22-Y421 HydrophobicContact CG2-CD2 3.84Å; I22-Y421 HydrophobicContact CG2-CE2 3.6Å; I22-F429 HydrophobicContact CD1-CE2 3.64Å; I22-F429 HydrophobicContact CD1-CZ 4.08Å; I22-F429 HydrophobicContact CG1-CE2 4.16Å; I22-F429 HydrophobicContact CG1-CZ 4.46Å; I22-F429 HydrophobicContact CG2-CE2 3.98Å
23	M	92.5	Very high	94.1	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-63.8	-42.5	179.6	-67.4	-57.5	161.9	0	0	111.4	L19 S20 G21 N26 G27 K28 V30 Y421 M424 T425	L19-M23 WeakPolarHBondContact O-CB 3.44Å; L19-M23 VanDerWaalsContact O-CG 3.25Å; L19-M23 WeakPolarHBondContact O-CG 3.37Å; L19-M23 PolarHBondContact O-N 3.31Å; S20-M23 PolarHBondContact O-N 2.8Å; G21-M23 PolarHBondContact O-N 3.46Å; M23-N26 CarbonylContact O-C 3.59Å; M23-N26 PolarHBondContact O-N 3.26Å; M23-G27 PolarHBondContact O-N 3.29Å; M23-K28 HydrophobicContact CB-CB 4.15Å; M23-K28 HydrophobicContact CB-CG 4.29Å; M23-K28 VanDerWaalsContact O-CB 3.24Å; M23-K28 WeakPolarHBondContact O-CB 3.49Å; M23-K28 WeakPolarHBondContact O-CG 3.48Å; M23-K28 PolarHBondContact O-N 3.02Å; M23-K28 HydrophobicContact SD-CG 4.46Å; M23-V30 HydrophobicContact CB-CG2 3.9Å; M23-Y421 HydrophobicContact CE-CD2 3.76Å; M23-Y421 HydrophobicContact CE-CE2 4.02Å; M23-M424 HydrophobicContact CE-CB 4.33Å; M23-M424 HydrophobicContact CE-CE 3.89Å; M23-M424 HydrophobicContact CE-SD 3.71Å; M23-M424 HydrophobicContact SD-CE 4.49Å; M23-T425 HydrophobicContact CE-CG2 4.22Å
24	S	91.3	Very high	94.2	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.007	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-46	175.5	-67	0	0	0	0	112.5	S20 G21 N26 G27 V30 S242	S20-S24 WeakPolarHBondContact O-CB 3.21Å; S20-S24 PolarHBondContact O-N 3.45Å; S20-S24 PolarHBondContact O-OG 3.09Å; S20-S24 VanDerWaalsContact O-OG 3.06Å; G21-S24 PolarHBondContact O-N 2.98Å; S24-N26 PolarHBondContact O-N 3.03Å; S24-G27 PolarHBondContact O-N 3.25Å; S24-V30 WeakPolarHBondContact OG-CG2 3.37Å; S24-S242 PolarHBondContact OG-OG 3.29Å; S24-S242 VanDerWaalsContact OG-OG 3.06Å
25	V	87.5	Confident	94.3	Very high	20 Å²	20	20.1 Å²	20.1	12%	0.121	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-34	175.5	170.7	0	0	0	0	111.5	G21 I22 G27 Y93 L241 Y245	G21-V25 WeakPolarHBondContact O-CG2 3.03Å; G21-V25 PolarHBondContact O-N 2.9Å; I22-V25 PolarHBondContact O-N 2.89Å; V25-G27 PolarHBondContact O-N 3.4Å; V25-Y93 HydrophobicContact CG1-CE1 4.31Å; V25-L241 HydrophobicContact CG2-CD2 4.25Å; V25-Y245 HydrophobicContact CG2-CD2 4.34Å; V25-Y245 HydrophobicContact CG2-CE1 4.47Å; V25-Y245 HydrophobicContact CG2-CE2 3.86Å
26	N	88	Confident	94.3	Very high	62 Å²	62	22.1 Å²	22.1	33%	0.332	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	13	175	-68.5	-11.2	0	0	0	113.5	I22 M23 S24 Y93	I22-N26 WeakPolarHBondContact O-CB 3.32Å; I22-N26 VanDerWaalsContact O-CG 3.22Å; I22-N26 PolarHBondContact O-N 3.38Å; M23-N26 CarbonylContact O-C 3.59Å; M23-N26 PolarHBondContact O-N 3.26Å; S24-N26 PolarHBondContact O-N 3.03Å; N26-Y93 PolarHBondContact OD1-OH 2.78Å
27	G	90.1	Very high	94.1	Very high	65 Å²	65	26.3 Å²	26.3	67%	0.67	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	16.2	173.3	0	0	0	0	0	115.1	M23 S24 V25	M23-G27 PolarHBondContact O-N 3.29Å; S24-G27 PolarHBondContact O-N 3.25Å; V25-G27 PolarHBondContact O-N 3.4Å
28	K	93.8	Very high	94	Very high	89 Å²	89	30.2 Å²	30.2	39%	0.387	16%	0.161	S	C	.	.			trans	-81.1	141.4	174.1	-59	-60.4	-173	174.6	0	110.7	D6 M23 V30	D6-K28 HydrophobicContact CB-CB 4.11Å; D6-K28 HydrophobicContact CB-CD 4.05Å; M23-K28 HydrophobicContact CB-CB 4.15Å; M23-K28 HydrophobicContact CB-CG 4.29Å; M23-K28 VanDerWaalsContact O-CB 3.24Å; M23-K28 WeakPolarHBondContact O-CB 3.49Å; M23-K28 WeakPolarHBondContact O-CG 3.48Å; M23-K28 PolarHBondContact O-N 3.02Å; M23-K28 HydrophobicContact SD-CG 4.46Å; K28-V30 HydrophobicContact CB-CG2 4.26Å; K28-V30 PolarHBondContact O-N 2.91Å
29	K	95.6	Very high	94.1	Very high	75 Å²	75	33.6 Å²	33.6	33%	0.326	18%	0.175	S	C	.	.			trans	-79	112.7	169.8	-166.3	-172.8	176.9	-170.2	0	109.5	D2 E4 Y5 D6 V7	D2-K29 VanDerWaalsContact OD2-CE 3.25Å; D2-K29 WeakPolarHBondContact OD2-CE 3.05Å; D2-K29 IonicContact OD2-NZ 2.71Å; D2-K29 PolarHBondContact OD2-NZ 2.96Å; E4-K29 PolarHBondContact O-NZ 3.48Å; Y5-K29 HydrophobicContact CD1-CD 4.09Å; Y5-K29 HydrophobicContact CD1-CG 3.92Å; D6-K29 PolarHBondContact N-O 2.86Å; D6-K29 PolarHBondContact OD2-N 2.77Å; V7-K29 PolarHBondContact N-O 2.88Å
30	V	96.9	Very high	93.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.7	-173.3	-175.7	0	0	0	0	111.9	V7 V9 M23 S24 K28 G247 T248	V7-V30 HydrophobicContact CB-CG2 4.48Å; V7-V30 WeakPolarHBondContact O-CA 3.45Å; V9-V30 HydrophobicContact CG2-CG1 3.85Å; M23-V30 HydrophobicContact CB-CG2 3.9Å; S24-V30 WeakPolarHBondContact OG-CG2 3.37Å; K28-V30 HydrophobicContact CB-CG2 4.26Å; K28-V30 PolarHBondContact O-N 2.91Å; V30-G247 CarbonylContact O-C 3.56Å; V30-G247 WeakPolarHBondContact O-CA 3.37Å; V30-T248 PolarHBondContact O-N 3.16Å
31	L	97.6	Very high	93.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.2	163.1	170.9	64.6	0	0	0	108.7	M1 Y5 V7 I8 V9 M33 T248 M250 A275	M1-L31 HydrophobicContact CG-CD2 4.32Å; M1-L31 HydrophobicContact SD-CD2 3.98Å; Y5-L31 HydrophobicContact CD1-CB 3.53Å; Y5-L31 HydrophobicContact CD2-CB 3.87Å; Y5-L31 HydrophobicContact CD2-CD2 4Å; Y5-L31 HydrophobicContact CE1-CB 3.59Å; Y5-L31 HydrophobicContact CE1-CG 4.47Å; Y5-L31 HydrophobicContact CE2-CB 3.9Å; Y5-L31 HydrophobicContact CE2-CD2 3.59Å; Y5-L31 HydrophobicContact CE2-CG 4.27Å; Y5-L31 HydrophobicContact CG-CB 3.68Å; V7-L31 PolarHBondContact O-N 2.68Å; I8-L31 CarbonylContact C-O 3.58Å; I8-L31 VanDerWaalsContact CA-O 3.27Å; I8-L31 WeakPolarHBondContact CA-O 3.27Å; I8-L31 HydrophobicContact CD1-CD2 4.27Å; I8-L31 HydrophobicContact CG1-CB 4.08Å; I8-L31 HydrophobicContact CG1-CD2 4.18Å; I8-L31 HydrophobicContact CG1-CG 4.46Å; V9-L31 PolarHBondContact N-O 2.91Å; L31-M33 HydrophobicContact CD1-CG 4.03Å; L31-M33 HydrophobicContact CD1-SD 4.46Å; L31-M33 HydrophobicContact CD2-CG 4.29Å; L31-M33 HydrophobicContact CD2-SD 3.67Å; L31-M33 HydrophobicContact CG-CG 3.92Å; L31-M33 HydrophobicContact CG-SD 3.95Å; L31-T248 HydrophobicContact CD1-CG2 4.17Å; L31-M250 HydrophobicContact CD1-CE 4.07Å; L31-M250 HydrophobicContact CD1-CG 4.28Å; L31-M250 HydrophobicContact CD1-SD 4.21Å; L31-A275 HydrophobicContact CD2-CB 3.69Å
32	H	97.9	Very high	93.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.2	-178.6	-160.5	141.6	0	0	0	109.3	V9 G11 S20 T248 Y249 M250	V9-H32 HydrophobicContact CB-CB 4.3Å; V9-H32 VanDerWaalsContact CG1-CE1 3.49Å; V9-H32 WeakPolarHBondContact CG1-CE1 3.41Å; V9-H32 CarbonylContact O-C 3.5Å; V9-H32 WeakPolarHBondContact O-CA 3.24Å; G11-H32 PolarHBondContact O-NE2 3.39Å; S20-H32 WeakPolarHBondContact CB-ND1 3.25Å; S20-H32 PolarHBondContact OG-ND1 2.92Å; H32-T248 PolarHBondContact N-O 3.22Å; H32-Y249 HydrophobicContact CB-CD1 4Å; H32-Y249 HydrophobicContact CB-CD2 3.68Å; H32-Y249 HydrophobicContact CB-CE1 3.96Å; H32-Y249 HydrophobicContact CB-CE2 3.52Å; H32-Y249 HydrophobicContact CB-CG 3.93Å; H32-Y249 AromaticContact CD2-CE1 3.93Å; H32-Y249 AromaticContact CE1-CE1 3.76Å; H32-Y249 AromaticContact CE1-CZ 3.71Å; H32-Y249 PolarHBondContact CE1-OH 3.34Å; H32-Y249 AromaticContact CG-CD1 3.96Å; H32-Y249 AromaticContact CG-CE1 3.53Å; H32-Y249 AromaticContact CG-CE2 3.81Å; H32-Y249 AromaticContact CG-CZ 3.47Å; H32-Y249 VanDerWaalsContact CG-CZ 3.47Å; H32-Y249 AromaticContact ND1-CE1 3.44Å; H32-Y249 WeakPolarHBondContact ND1-CE1 3.32Å; H32-Y249 AromaticContact ND1-CE2 3.67Å; H32-Y249 AromaticContact ND1-CZ 3.06Å; H32-Y249 PolarHBondContact ND1-OH 2.99Å; H32-Y249 CarbonylContact O-C 3.57Å; H32-Y249 VanDerWaalsContact O-CA 3.26Å; H32-Y249 WeakPolarHBondContact O-CA 3.19Å; H32-M250 PolarHBondContact O-N 3.27Å
33	M	97.6	Very high	94.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.1	-174.5	-62.1	163.8	65.3	0	0	110.9	M1 V9 L10 G11 L31 M250 K253	M1-M33 HydrophobicContact SD-CE 4.44Å; M1-M33 HydrophobicContact SD-SD 4.4Å; V9-M33 PolarHBondContact O-N 3.42Å; L10-M33 CarbonylContact C-O 3.59Å; L10-M33 WeakPolarHBondContact CA-O 3.12Å; L10-M33 HydrophobicContact CD2-CB 4.01Å; L10-M33 HydrophobicContact CD2-SD 4.34Å; G11-M33 PolarHBondContact N-O 2.8Å; L31-M33 HydrophobicContact CD1-CG 4.03Å; L31-M33 HydrophobicContact CD1-SD 4.46Å; L31-M33 HydrophobicContact CD2-CG 4.29Å; L31-M33 HydrophobicContact CD2-SD 3.67Å; L31-M33 HydrophobicContact CG-CG 3.92Å; L31-M33 HydrophobicContact CG-SD 3.95Å; M33-M250 CarbonylContact C-O 3.48Å; M33-M250 VanDerWaalsContact CA-O 3.31Å; M33-M250 WeakPolarHBondContact CA-O 3.35Å; M33-M250 HydrophobicContact CG-CB 4.24Å; M33-K253 HydrophobicContact CE-CB 4.4Å; M33-K253 HydrophobicContact CE-CG 3.5Å
34	D	98	Very high	94.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.206	C	C	.	.			trans	-135	135.5	169.5	-154.7	-47.4	0	0	0	110.2	T12 N36 M250 L251 N252 K253 Y286	T12-D34 WeakPolarHBondContact CB-OD2 3.21Å; T12-D34 HydrophobicContact CG2-CB 3.86Å; T12-D34 PolarHBondContact N-OD2 3.27Å; T12-D34 PolarHBondContact OG1-OD2 3.11Å; D34-N36 PolarHBondContact O-N 3.38Å; D34-N36 WeakPolarHBondContact OD1-CB 3.26Å; D34-N36 PolarHBondContact OD1-N 2.99Å; D34-N36 PolarHBondContact OD1-ND2 2.97Å; D34-M250 PolarHBondContact N-O 2.9Å; D34-L251 HydrophobicContact CB-CD2 3.65Å; D34-L251 CarbonylContact O-C 3.55Å; D34-N252 PolarHBondContact O-N 2.96Å; D34-K253 PolarHBondContact O-N 3.27Å; D34-Y286 PolarHBondContact OD1-OH 3.32Å
35	R	97.4	Very high	94.6	Very high	101 Å²	101	40.8 Å²	40.8	38%	0.381	21%	0.214	S	C	.	.	S	Bend	trans	-66	-25.2	172.6	72.1	-177.5	76.7	177.7	7.6	112.1	S285 Y286	R35-S285 VanDerWaalsContact NH2-C 3.26Å; R35-S285 PolarHBondContact NH2-O 2.79Å; R35-S285 PolarHBondContact NH2-OG 3.02Å; R35-Y286 PolarHBondContact N-OH 3.06Å; R35-Y286 VanDerWaalsContact N-OH 3.13Å; R35-Y286 PolarHBondContact NE-OH 3.31Å
36	N	95.6	Very high	95.1	Very high	43 Å²	43	40.7 Å²	40.7	23%	0.23	21%	0.213	C	C	.	.	S	Bend	trans	-83.3	150.1	-177.8	-61.7	-64.5	0	0	0	111.5	D34 Y38 N252	D34-N36 PolarHBondContact O-N 3.38Å; D34-N36 WeakPolarHBondContact OD1-CB 3.26Å; D34-N36 PolarHBondContact OD1-N 2.99Å; D34-N36 PolarHBondContact OD1-ND2 2.97Å; N36-Y38 HydrophobicContact CB-CD1 4.09Å; N36-Y38 HydrophobicContact CB-CD2 4.31Å; N36-Y38 HydrophobicContact CB-CE1 3.86Å; N36-Y38 HydrophobicContact CB-CE2 4.11Å; N36-Y38 HydrophobicContact CB-CG 4.3Å; N36-Y38 PolarHBondContact O-N 3.21Å; N36-Y38 PolarHBondContact OD1-OH 3.38Å; N36-N252 PolarHBondContact O-N 3.01Å
37	P	94	Very high	95.5	Very high	89 Å²	89	41 Å²	41	58%	0.578	22%	0.217	S	C	*	.	S	Bend	trans	-79.2	10.3	174	33.4	-35.1	0	0	0	113.5	N252	P37-N252 HydrophobicContact CB-CB 4.16Å
38	Y	93.7	Very high	95.8	Very high	82 Å²	82	39.9 Å²	39.9	32%	0.322	20%	0.198	S	C	.	.	S	Bend	trans	-139.9	160.8	-176.9	56.2	-95.4	0	0	0	110.6	N36	N36-Y38 HydrophobicContact CB-CD1 4.09Å; N36-Y38 HydrophobicContact CB-CD2 4.31Å; N36-Y38 HydrophobicContact CB-CE1 3.86Å; N36-Y38 HydrophobicContact CB-CE2 4.11Å; N36-Y38 HydrophobicContact CB-CG 4.3Å; N36-Y38 PolarHBondContact O-N 3.21Å; N36-Y38 PolarHBondContact OD1-OH 3.38Å
39	Y	94.8	Very high	96.1	Very high	71 Å²	71	35.7 Å²	35.7	28%	0.278	18%	0.179	S	C	.	.	S	Bend	trans	-84.1	156.8	176.9	-70	-71.7	0	0	0	113.1	T12 S44 P235 Q236 A239 Y249 L251	T12-Y39 HydrophobicContact CG2-CD1 3.76Å; T12-Y39 HydrophobicContact CG2-CE1 4.12Å; T12-Y39 VanDerWaalsContact OG1-CA 3.32Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.44Å; Y39-S44 VanDerWaalsContact O-CB 3.31Å; Y39-S44 WeakPolarHBondContact O-CB 3.4Å; Y39-P235 HydrophobicContact CD1-CB 4.38Å; Y39-P235 HydrophobicContact CG-CB 4.38Å; Y39-Q236 HydrophobicContact CD2-CG 3.95Å; Y39-Q236 HydrophobicContact CE2-CG 4.36Å; Y39-A239 HydrophobicContact CE1-CB 3.96Å; Y39-Y249 AromaticContact CE1-CD1 3.89Å; Y39-Y249 HydrophobicContact CE1-CD1 3.89Å; Y39-Y249 HydrophobicContact CE1-CE1 4.33Å; Y39-L251 HydrophobicContact CD1-CD1 4.36Å; Y39-L251 HydrophobicContact CD1-CD2 3.93Å; Y39-L251 HydrophobicContact CD2-CD1 4.01Å; Y39-L251 HydrophobicContact CE1-CD1 4.08Å; Y39-L251 HydrophobicContact CE1-CD2 3.83Å; Y39-L251 HydrophobicContact CE1-CG 4.12Å; Y39-L251 HydrophobicContact CE2-CD1 3.72Å; Y39-L251 HydrophobicContact CG-CD1 4.32Å; Y39-L251 HydrophobicContact CG-CD2 4.48Å
40	G	92.6	Very high	96.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	18%	0.184	C	C	.	.	S	Bend	trans	104.6	-10.6	163.5	0	0	0	0	0	115.4	T12 E42 S43 S44	T12-G40 CarbonylContact O-C 3.53Å; T12-G40 WeakPolarHBondContact O-CA 3.28Å; T12-G40 PolarHBondContact O-N 2.95Å; T12-G40 VanDerWaalsContact O-N 3.09Å; T12-G40 PolarHBondContact OG1-N 3.33Å; G40-E42 PolarHBondContact O-N 3.03Å; G40-S43 CarbonylContact O-C 3.58Å; G40-S43 VanDerWaalsContact O-C 3.24Å; G40-S43 WeakPolarHBondContact O-CA 3.3Å; G40-S43 PolarHBondContact O-N 3.33Å; G40-S43 PolarHBondContact O-OG 3.07Å; G40-S44 PolarHBondContact O-N 3.24Å
41	G	93.3	Very high	96.2	Very high	6 Å²	6	40.4 Å²	40.4	6%	0.062	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	51.7	-130.4	-177.9	0	0	0	0	0	112.5	S43 S44	G41-S43 PolarHBondContact O-N 3.27Å; G41-S44 VanDerWaalsContact O-CB 3.25Å; G41-S44 WeakPolarHBondContact O-CB 3.09Å; G41-S44 PolarHBondContact O-N 3.39Å; G41-S44 PolarHBondContact O-OG 2.71Å
42	E	93.3	Very high	96.2	Very high	114 Å²	114	40.4 Å²	40.4	53%	0.533	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-62.3	-26.7	174.6	-70.2	-61.5	128.2	0	0	113.4	G40 S44 I77	G40-E42 PolarHBondContact O-N 3.03Å; E42-S44 VanDerWaalsContact C-N 3.34Å; E42-I77 HydrophobicContact CB-CD1 4.17Å; E42-I77 WeakPolarHBondContact O-CD1 3.2Å; E42-I77 WeakPolarHBondContact O-CG1 3.43Å
43	S	94.8	Very high	96.2	Very high	11 Å²	11	40.9 Å²	40.9	8%	0.077	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-94.5	23.2	177	55.8	0	0	0	0	113.4	G40 G41 Y404	G40-S43 CarbonylContact O-C 3.58Å; G40-S43 VanDerWaalsContact O-C 3.24Å; G40-S43 WeakPolarHBondContact O-CA 3.3Å; G40-S43 PolarHBondContact O-N 3.33Å; G40-S43 PolarHBondContact O-OG 3.07Å; G41-S43 PolarHBondContact O-N 3.27Å; S43-Y404 WeakPolarHBondContact OG-CE2 3.13Å
44	S	96.3	Very high	96.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-65.4	153.5	-179.4	48.2	0	0	0	0	113.2	Y39 G40 G41 E42 L76	Y39-S44 VanDerWaalsContact O-CB 3.31Å; Y39-S44 WeakPolarHBondContact O-CB 3.4Å; G40-S44 PolarHBondContact O-N 3.24Å; G41-S44 VanDerWaalsContact O-CB 3.25Å; G41-S44 WeakPolarHBondContact O-CB 3.09Å; G41-S44 PolarHBondContact O-N 3.39Å; G41-S44 PolarHBondContact O-OG 2.71Å; E42-S44 VanDerWaalsContact C-N 3.34Å; S44-L76 PolarHBondContact O-N 3.41Å; S44-L76 WeakPolarHBondContact OG-CD1 3.33Å
45	S	97.4	Very high	96.1	Very high	25 Å²	25	52.2 Å²	52.2	18%	0.175	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.1	169.7	-157.2	0	0	0	0	109.2	D75	S45-D75 WeakPolarHBondContact CB-OD1 3.47Å; S45-D75 PolarHBondContact OG-OD1 2.88Å
46	I	97.8	Very high	96.1	Very high	19 Å²	19	49.2 Å²	49.2	10%	0.097	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.9	-174.2	-51.7	-56.8	0	0	0	110	E51 L52 V74 L76	I46-E51 HydrophobicContact CG2-CB 3.92Å; I46-L52 HydrophobicContact CB-CD1 4.17Å; I46-L52 HydrophobicContact CG1-CD1 4.25Å; I46-L52 HydrophobicContact CG2-CB 4.05Å; I46-L52 HydrophobicContact CG2-CD1 4.39Å; I46-V74 PolarHBondContact N-O 3.13Å; I46-V74 PolarHBondContact O-N 3.33Å; I46-L76 HydrophobicContact CD1-CD1 4.2Å; I46-L76 HydrophobicContact CD1-CG 4.38Å; I46-L76 HydrophobicContact CG1-CD1 4.27Å; I46-L76 HydrophobicContact CG1-CD2 3.83Å; I46-L76 HydrophobicContact CG1-CG 3.96Å
47	T	96.9	Very high	96.1	Very high	69 Å²	69	55.4 Å²	55.4	42%	0.423	27%	0.268	S	S	.	.			trans	-147.4	143	174.8	-170.9	0	0	0	0	110	W72	T47-W72 WeakPolarHBondContact CB-O 3.33Å; T47-W72 PolarHBondContact OG1-O 3.34Å
48	P	97.6	Very high	96.2	Very high	40 Å²	40	53.4 Å²	53.4	26%	0.26	25%	0.252	S	S	.	.	S	Bend	cis	-76.7	178.2	-7.1	37.3	-39.5	0	0	0	112.3	E50 E51 G69 R70	P48-E50 VanDerWaalsContact CB-OE2 3.22Å; P48-E50 WeakPolarHBondContact CB-OE2 3.39Å; P48-E50 WeakPolarHBondContact CG-OE2 3.26Å; P48-E50 PolarHBondContact O-N 2.88Å; P48-E50 VanDerWaalsContact O-N 3.1Å; P48-E51 PolarHBondContact O-N 2.62Å; P48-G69 VanDerWaalsContact CA-O 3.28Å; P48-G69 WeakPolarHBondContact CA-O 3.3Å; P48-G69 VanDerWaalsContact CB-O 3.27Å; P48-G69 WeakPolarHBondContact CB-O 3.25Å; P48-R70 HydrophobicContact CB-CG 4.32Å
49	L	98.3	Very high	96	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-54	-31.5	-178.8	-175.1	61.9	0	0	0	113.7	E51 L52 Y53 P62 M66 G69 W72 I303	L49-E51 VanDerWaalsContact C-N 3.28Å; L49-E51 PolarHBondContact O-N 2.89Å; L49-L52 HydrophobicContact CD1-CB 4.29Å; L49-L52 HydrophobicContact CD1-CD2 3.86Å; L49-L52 VanDerWaalsContact O-CB 3.32Å; L49-L52 WeakPolarHBondContact O-CB 3.42Å; L49-L52 PolarHBondContact O-N 2.73Å; L49-L52 VanDerWaalsContact O-N 3.07Å; L49-Y53 HydrophobicContact CD1-CD2 4.27Å; L49-Y53 HydrophobicContact CD1-CE2 4.13Å; L49-Y53 HydrophobicContact CD2-CE2 4.19Å; L49-Y53 HydrophobicContact CG-CD2 4.08Å; L49-Y53 HydrophobicContact CG-CE2 3.95Å; L49-Y53 WeakPolarHBondContact O-CD2 3.26Å; L49-Y53 PolarHBondContact O-N 3.42Å; L49-Y53 VanDerWaalsContact O-N 3.11Å; L49-P62 HydrophobicContact CB-CG 4.32Å; L49-P62 HydrophobicContact CD2-CB 3.69Å; L49-P62 HydrophobicContact CD2-CG 4.07Å; L49-P62 HydrophobicContact CG-CB 4.08Å; L49-P62 HydrophobicContact CG-CG 3.88Å; L49-M66 HydrophobicContact CD2-CB 3.61Å; L49-M66 HydrophobicContact CD2-CG 3.95Å; L49-G69 PolarHBondContact N-O 2.82Å; L49-W72 HydrophobicContact CB-CB 4.03Å; L49-W72 HydrophobicContact CB-CD2 4.27Å; L49-W72 HydrophobicContact CB-CG 3.76Å; L49-W72 HydrophobicContact CD1-CD2 4.05Å; L49-W72 HydrophobicContact CD1-CE3 4.08Å; L49-W72 HydrophobicContact CD1-CG 4.32Å; L49-W72 HydrophobicContact CD2-CD2 4.01Å; L49-W72 HydrophobicContact CD2-CG 4.3Å; L49-W72 HydrophobicContact CD2-CZ2 4.02Å; L49-W72 HydrophobicContact CG-CD2 4.34Å; L49-W72 HydrophobicContact CG-CG 4.35Å; L49-I303 HydrophobicContact CD1-CD1 3.97Å
50	E	97.9	Very high	95.8	Very high	89 Å²	89	57.5 Å²	57.5	42%	0.416	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-36.7	176	-64.1	79.5	178.5	0	0	112.4	P48 L52 Y53 K54 P62	P48-E50 VanDerWaalsContact CB-OE2 3.22Å; P48-E50 WeakPolarHBondContact CB-OE2 3.39Å; P48-E50 WeakPolarHBondContact CG-OE2 3.26Å; P48-E50 PolarHBondContact O-N 2.88Å; P48-E50 VanDerWaalsContact O-N 3.1Å; E50-L52 VanDerWaalsContact C-N 3.31Å; E50-Y53 PolarHBondContact O-N 2.89Å; E50-K54 WeakPolarHBondContact O-CB 3.42Å; E50-K54 PolarHBondContact O-N 3.2Å; E50-P62 HydrophobicContact CB-CG 4.49Å; E50-P62 HydrophobicContact CG-CG 3.98Å
51	E	97.3	Very high	95.9	Very high	86 Å²	86	62 Å²	62	40%	0.402	32%	0.323	S	S	.	.	H	α-helix	trans	-71.6	-27.6	176.2	-70	-63.3	142.8	0	0	111.6	I46 P48 L49 K54 R55	I46-E51 HydrophobicContact CG2-CB 3.92Å; P48-E51 PolarHBondContact O-N 2.62Å; L49-E51 VanDerWaalsContact C-N 3.28Å; L49-E51 PolarHBondContact O-N 2.89Å; E51-K54 IonicContact OE1-NZ 3.93Å; E51-K54 PolarHBondContact OE1-NZ 3.14Å; E51-K54 IonicContact OE2-NZ 3.75Å; E51-K54 PolarHBondContact OE2-NZ 2.92Å; E51-R55 VanDerWaalsContact O-CB 3.29Å; E51-R55 WeakPolarHBondContact O-CB 3.49Å; E51-R55 PolarHBondContact O-N 3.3Å
52	L	97.8	Very high	96	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.5	-47.3	171.3	-172	73	0	0	0	110.6	I46 L49 E50 K54 R55 F56 V74 L76 F380	I46-L52 HydrophobicContact CB-CD1 4.17Å; I46-L52 HydrophobicContact CG1-CD1 4.25Å; I46-L52 HydrophobicContact CG2-CB 4.05Å; I46-L52 HydrophobicContact CG2-CD1 4.39Å; L49-L52 HydrophobicContact CD1-CB 4.29Å; L49-L52 HydrophobicContact CD1-CD2 3.86Å; L49-L52 VanDerWaalsContact O-CB 3.32Å; L49-L52 WeakPolarHBondContact O-CB 3.42Å; L49-L52 PolarHBondContact O-N 2.73Å; L49-L52 VanDerWaalsContact O-N 3.07Å; E50-L52 VanDerWaalsContact C-N 3.31Å; L52-K54 VanDerWaalsContact C-N 3.31Å; L52-K54 PolarHBondContact O-N 2.77Å; L52-R55 PolarHBondContact O-N 3.26Å; L52-F56 HydrophobicContact CD1-CD2 3.91Å; L52-F56 HydrophobicContact CD1-CE2 3.59Å; L52-F56 HydrophobicContact CG-CD2 4.22Å; L52-F56 HydrophobicContact CG-CE2 4.34Å; L52-F56 WeakPolarHBondContact O-CD2 3.27Å; L52-F56 PolarHBondContact O-N 3.41Å; L52-F56 VanDerWaalsContact O-N 3.11Å; L52-V74 HydrophobicContact CD1-CB 4.42Å; L52-V74 HydrophobicContact CD1-CG1 4.28Å; L52-V74 HydrophobicContact CD2-CB 4.08Å; L52-V74 HydrophobicContact CD2-CG1 3.88Å; L52-V74 HydrophobicContact CD2-CG2 4.02Å; L52-L76 HydrophobicContact CD1-CD2 4.21Å; L52-F380 HydrophobicContact CD2-CD1 4.09Å; L52-F380 HydrophobicContact CD2-CD2 4.05Å; L52-F380 HydrophobicContact CD2-CE1 3.79Å; L52-F380 HydrophobicContact CD2-CE2 3.79Å; L52-F380 HydrophobicContact CD2-CG 4.21Å; L52-F380 HydrophobicContact CD2-CZ 3.65Å; L52-F380 HydrophobicContact CG-CD1 3.98Å; L52-F380 HydrophobicContact CG-CE1 3.86Å; L52-F380 HydrophobicContact CG-CG 4.43Å; L52-F380 HydrophobicContact CG-CZ 4.24Å
53	Y	98.2	Very high	96.2	Very high	11 Å²	11	60.1 Å²	60.1	4%	0.043	32%	0.319	C	S	.	.	H	α-helix	trans	-58	-45	176.4	-88.8	-112.8	0	0	0	111.9	L49 E50 F56 E57 L58 D60 P62 P63 F380	L49-Y53 HydrophobicContact CD1-CD2 4.27Å; L49-Y53 HydrophobicContact CD1-CE2 4.13Å; L49-Y53 HydrophobicContact CD2-CE2 4.19Å; L49-Y53 HydrophobicContact CG-CD2 4.08Å; L49-Y53 HydrophobicContact CG-CE2 3.95Å; L49-Y53 WeakPolarHBondContact O-CD2 3.26Å; L49-Y53 PolarHBondContact O-N 3.42Å; L49-Y53 VanDerWaalsContact O-N 3.11Å; E50-Y53 PolarHBondContact O-N 2.89Å; Y53-F56 CarbonylContact O-C 3.59Å; Y53-F56 PolarHBondContact O-N 2.88Å; Y53-E57 PolarHBondContact O-N 2.78Å; Y53-L58 HydrophobicContact CD1-CB 3.71Å; Y53-L58 HydrophobicContact CD1-CD1 3.48Å; Y53-L58 VanDerWaalsContact CD1-CD1 3.48Å; Y53-L58 HydrophobicContact CD1-CG 4.28Å; Y53-L58 HydrophobicContact CD2-CD1 4.45Å; Y53-L58 HydrophobicContact CE1-CB 4.47Å; Y53-L58 HydrophobicContact CE1-CD1 3.77Å; Y53-L58 HydrophobicContact CG-CB 4.34Å; Y53-L58 HydrophobicContact CG-CD1 3.88Å; Y53-L58 PolarHBondContact O-N 2.85Å; Y53-D60 WeakPolarHBondContact CD1-O 3.36Å; Y53-P62 HydrophobicContact CD1-CG 4.49Å; Y53-P62 HydrophobicContact CD2-CB 4.18Å; Y53-P62 HydrophobicContact CD2-CG 3.59Å; Y53-P62 HydrophobicContact CE2-CB 3.78Å; Y53-P62 HydrophobicContact CE2-CG 3.73Å; Y53-P62 HydrophobicContact CG-CG 3.97Å; Y53-P63 WeakPolarHBondContact OH-CD 3.33Å; Y53-F380 AromaticContact CD2-CE1 3.72Å; Y53-F380 HydrophobicContact CD2-CE1 3.72Å; Y53-F380 AromaticContact CD2-CZ 3.83Å; Y53-F380 HydrophobicContact CD2-CZ 3.83Å; Y53-F380 AromaticContact CE2-CE1 3.89Å; Y53-F380 HydrophobicContact CE2-CE1 3.89Å; Y53-F380 AromaticContact CE2-CZ 3.54Å; Y53-F380 HydrophobicContact CE2-CZ 3.54Å; Y53-F380 HydrophobicContact CG-CE1 4.22Å
54	K	97	Very high	96.3	Very high	134 Å²	134	68.7 Å²	68.7	58%	0.583	36%	0.358	S	S	*	.	H	α-helix	trans	-63.1	-42.1	176.8	179.8	179.6	160.9	-152.8	0	112.6	E50 E51 L52 F56 E57	E50-K54 WeakPolarHBondContact O-CB 3.42Å; E50-K54 PolarHBondContact O-N 3.2Å; E51-K54 IonicContact OE1-NZ 3.93Å; E51-K54 PolarHBondContact OE1-NZ 3.14Å; E51-K54 IonicContact OE2-NZ 3.75Å; E51-K54 PolarHBondContact OE2-NZ 2.92Å; L52-K54 VanDerWaalsContact C-N 3.31Å; L52-K54 PolarHBondContact O-N 2.77Å; K54-F56 VanDerWaalsContact C-N 3.28Å; K54-F56 PolarHBondContact O-N 3.44Å; K54-E57 PolarHBondContact O-N 2.91Å; K54-E57 VanDerWaalsContact O-N 3.15Å
55	R	95.7	Very high	96.3	Very high	104 Å²	104	72.6 Å²	72.6	39%	0.392	39%	0.385	S	S	.	.	H	α-helix	trans	-61.2	-37.4	178	-178.6	177.8	-178.8	89.8	-0.5	112.2	E51 L52 E57	E51-R55 VanDerWaalsContact O-CB 3.29Å; E51-R55 WeakPolarHBondContact O-CB 3.49Å; E51-R55 PolarHBondContact O-N 3.3Å; L52-R55 PolarHBondContact O-N 3.26Å; R55-E57 VanDerWaalsContact C-N 3.3Å
56	F	97	Very high	96.4	Very high	38 Å²	38	71.7 Å²	71.7	17%	0.167	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	16.2	178.6	-74.8	-94.3	0	0	0	113.1	L52 Y53 K54 L58 L76 I301 F380 V381	L52-F56 HydrophobicContact CD1-CD2 3.91Å; L52-F56 HydrophobicContact CD1-CE2 3.59Å; L52-F56 HydrophobicContact CG-CD2 4.22Å; L52-F56 HydrophobicContact CG-CE2 4.34Å; L52-F56 WeakPolarHBondContact O-CD2 3.27Å; L52-F56 PolarHBondContact O-N 3.41Å; L52-F56 VanDerWaalsContact O-N 3.11Å; Y53-F56 CarbonylContact O-C 3.59Å; Y53-F56 PolarHBondContact O-N 2.88Å; K54-F56 VanDerWaalsContact C-N 3.28Å; K54-F56 PolarHBondContact O-N 3.44Å; F56-L58 HydrophobicContact CB-CG 4.34Å; F56-L58 PolarHBondContact O-N 2.82Å; F56-L58 VanDerWaalsContact O-N 3.07Å; F56-L76 HydrophobicContact CE2-CD2 4.09Å; F56-L76 HydrophobicContact CZ-CD2 4.37Å; F56-I301 HydrophobicContact CE2-CD1 4.48Å; F56-I301 HydrophobicContact CZ-CD1 4.26Å; F56-F380 HydrophobicContact CB-CB 4.49Å; F56-F380 HydrophobicContact CB-CD1 3.93Å; F56-F380 HydrophobicContact CD1-CB 3.67Å; F56-F380 HydrophobicContact CD2-CB 3.93Å; F56-F380 AromaticContact CD2-CD1 3.89Å; F56-F380 HydrophobicContact CD2-CD1 3.89Å; F56-F380 HydrophobicContact CD2-CG 4.3Å; F56-F380 HydrophobicContact CE1-CB 3.69Å; F56-F380 HydrophobicContact CE2-CB 3.98Å; F56-F380 HydrophobicContact CG-CB 3.77Å; F56-F380 AromaticContact CG-CD1 3.91Å; F56-F380 HydrophobicContact CG-CD1 3.91Å; F56-F380 HydrophobicContact CG-CG 4.33Å; F56-F380 HydrophobicContact CZ-CB 3.85Å; F56-V381 WeakPolarHBondContact CD1-O 3.29Å; F56-V381 WeakPolarHBondContact CE1-O 3.25Å
57	E	97.1	Very high	96.4	Very high	173 Å²	173	73 Å²	73	81%	0.808	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	33	174.9	-56.4	-175.2	171.9	0	0	113.9	Y53 K54 R55	Y53-E57 PolarHBondContact O-N 2.78Å; K54-E57 PolarHBondContact O-N 2.91Å; K54-E57 VanDerWaalsContact O-N 3.15Å; R55-E57 VanDerWaalsContact C-N 3.3Å
58	L	95.3	Very high	96.4	Very high	47 Å²	47	78.7 Å²	78.7	25%	0.246	41%	0.41	C	S	.	.			trans	-73.5	134	177.2	-65	178.9	0	0	0	110	Y53 F56 D60 Q378 F380	Y53-L58 HydrophobicContact CD1-CB 3.71Å; Y53-L58 HydrophobicContact CD1-CD1 3.48Å; Y53-L58 VanDerWaalsContact CD1-CD1 3.48Å; Y53-L58 HydrophobicContact CD1-CG 4.28Å; Y53-L58 HydrophobicContact CD2-CD1 4.45Å; Y53-L58 HydrophobicContact CE1-CB 4.47Å; Y53-L58 HydrophobicContact CE1-CD1 3.77Å; Y53-L58 HydrophobicContact CG-CB 4.34Å; Y53-L58 HydrophobicContact CG-CD1 3.88Å; Y53-L58 PolarHBondContact O-N 2.85Å; F56-L58 HydrophobicContact CB-CG 4.34Å; F56-L58 PolarHBondContact O-N 2.82Å; F56-L58 VanDerWaalsContact O-N 3.07Å; L58-D60 VanDerWaalsContact C-N 3.32Å; L58-D60 PolarHBondContact O-N 3.04Å; L58-Q378 HydrophobicContact CD1-CG 4.43Å; L58-Q378 VanDerWaalsContact CD1-NE2 3.26Å; L58-F380 HydrophobicContact CD1-CD1 3.71Å; L58-F380 HydrophobicContact CD1-CE1 3.4Å; L58-F380 HydrophobicContact CD1-CZ 4.29Å
59	P	89	Confident	96.4	Very high	119 Å²	119	77.2 Å²	77.2	77%	0.773	40%	0.402	S	S	*	.	S	Bend	trans	-70.8	-28.1	-171.8	27.6	-35.2	0	0	0	113.3
60	D	91.7	Very high	96.4	Very high	121 Å²	121	87.4 Å²	87.4	65%	0.647	44%	0.44	S	S	*	.	S	Bend	trans	-99.1	151.8	-175	-60.8	-46.3	0	0	0	111.4	Y53 L58	Y53-D60 WeakPolarHBondContact CD1-O 3.36Å; L58-D60 VanDerWaalsContact C-N 3.32Å; L58-D60 PolarHBondContact O-N 3.04Å
61	S	93.4	Very high	96.4	Very high	95 Å²	95	86.6 Å²	86.6	66%	0.664	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-69.6	155.6	164.3	56.6	0	0	0	0	110.5
62	P	96.9	Very high	96.4	Very high	20 Å²	20	82.5 Å²	82.5	13%	0.13	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-51.9	131.2	172	-17.1	24.7	0	0	0	110.9	L49 E50 Y53 M66	L49-P62 HydrophobicContact CB-CG 4.32Å; L49-P62 HydrophobicContact CD2-CB 3.69Å; L49-P62 HydrophobicContact CD2-CG 4.07Å; L49-P62 HydrophobicContact CG-CB 4.08Å; L49-P62 HydrophobicContact CG-CG 3.88Å; E50-P62 HydrophobicContact CB-CG 4.49Å; E50-P62 HydrophobicContact CG-CG 3.98Å; Y53-P62 HydrophobicContact CD1-CG 4.49Å; Y53-P62 HydrophobicContact CD2-CB 4.18Å; Y53-P62 HydrophobicContact CD2-CG 3.59Å; Y53-P62 HydrophobicContact CE2-CB 3.78Å; Y53-P62 HydrophobicContact CE2-CG 3.73Å; Y53-P62 HydrophobicContact CG-CG 3.97Å; P62-M66 HydrophobicContact CB-CB 4.38Å; P62-M66 HydrophobicContact CB-CG 4.36Å
63	P	97.1	Very high	96.5	Very high	60 Å²	60	83.9 Å²	83.9	39%	0.39	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-67.8	156.1	179.7	26.5	-32	0	0	0	110.8	Y53 S65 M66	Y53-P63 WeakPolarHBondContact OH-CD 3.33Å; P63-S65 PolarHBondContact O-N 2.93Å; P63-M66 HydrophobicContact CG-CE 4.37Å; P63-M66 HydrophobicContact CG-CG 3.88Å; P63-M66 WeakPolarHBondContact O-CB 3.27Å; P63-M66 PolarHBondContact O-N 2.87Å
64	E	96.5	Very high	96.5	Very high	192 Å²	192	83.4 Å²	83.4	90%	0.897	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-55.4	-27.4	-179.5	-66.8	-173.7	170.5	0	0	113.1	M66 G67	E64-M66 PolarHBondContact O-N 3.04Å; E64-G67 PolarHBondContact O-N 2.79Å
65	S	97.3	Very high	96.6	Very high	82 Å²	82	77.1 Å²	77.1	57%	0.573	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-64.1	-14.2	175.7	60.1	0	0	0	0	114.1	P63 G67 K348	P63-S65 PolarHBondContact O-N 2.93Å; S65-G67 VanDerWaalsContact C-N 3.26Å; S65-K348 WeakPolarHBondContact O-CE 3.48Å; S65-K348 PolarHBondContact O-NZ 2.71Å; S65-K348 VanDerWaalsContact O-NZ 3.09Å
66	M	97.9	Very high	96.7	Very high	5 Å²	5	72.9 Å²	72.9	3%	0.025	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-79.6	-6.1	173.3	-63.3	-58.6	-170.7	0	0	113.2	L49 P62 P63 E64 W72 I303 A345 D377 Q378	L49-M66 HydrophobicContact CD2-CB 3.61Å; L49-M66 HydrophobicContact CD2-CG 3.95Å; P62-M66 HydrophobicContact CB-CB 4.38Å; P62-M66 HydrophobicContact CB-CG 4.36Å; P63-M66 HydrophobicContact CG-CE 4.37Å; P63-M66 HydrophobicContact CG-CG 3.88Å; P63-M66 WeakPolarHBondContact O-CB 3.27Å; P63-M66 PolarHBondContact O-N 2.87Å; E64-M66 PolarHBondContact O-N 3.04Å; M66-W72 HydrophobicContact CB-CZ2 4.21Å; M66-W72 VanDerWaalsContact O-CZ2 3.29Å; M66-W72 WeakPolarHBondContact O-CZ2 3.43Å; M66-W72 PolarHBondContact O-NE1 2.9Å; M66-W72 HydrophobicContact SD-CZ2 4.41Å; M66-I303 HydrophobicContact CE-CB 4.36Å; M66-I303 HydrophobicContact CE-CD1 4.14Å; M66-I303 HydrophobicContact CE-CG2 4.01Å; M66-I303 HydrophobicContact SD-CD1 4.23Å; M66-I303 HydrophobicContact SD-CG2 3.74Å; M66-A345 VanDerWaalsContact O-CB 3.31Å; M66-A345 WeakPolarHBondContact O-CB 3.32Å; M66-D377 HydrophobicContact CE-CB 3.85Å; M66-Q378 HydrophobicContact CE-CB 3.88Å
67	G	97.8	Very high	96.7	Very high	46 Å²	46	71.5 Å²	71.5	47%	0.474	38%	0.378	S	S	.	.			trans	73.7	-155.6	-177.9	0	0	0	0	0	112.5	E64 S65	E64-G67 PolarHBondContact O-N 2.79Å; S65-G67 VanDerWaalsContact C-N 3.26Å
68	R	97.6	Very high	96.6	Very high	190 Å²	190	63.6 Å²	63.6	72%	0.717	34%	0.341	S	S	*	.			trans	-80	124.4	-174.9	-62.9	176.2	176.3	-178.5	-0.4	110.2	R70 D71 W72	R68-R70 PolarHBondContact O-N 2.86Å; R68-R70 VanDerWaalsContact O-N 3.13Å; R68-D71 WeakPolarHBondContact O-CB 3.19Å; R68-D71 PolarHBondContact O-N 3.29Å; R68-W72 VanDerWaalsContact O-CD1 3.22Å
69	G	97.8	Very high	96.7	Very high	9 Å²	9	61.4 Å²	61.4	9%	0.093	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-54.9	-33.1	-178.7	0	0	0	0	0	115	P48 L49 D71 W72	P48-G69 VanDerWaalsContact CA-O 3.28Å; P48-G69 WeakPolarHBondContact CA-O 3.3Å; P48-G69 VanDerWaalsContact CB-O 3.27Å; P48-G69 WeakPolarHBondContact CB-O 3.25Å; L49-G69 PolarHBondContact N-O 2.82Å; G69-D71 VanDerWaalsContact C-N 3.27Å; G69-D71 PolarHBondContact O-N 3.18Å; G69-W72 WeakPolarHBondContact O-CB 3.49Å; G69-W72 PolarHBondContact O-N 3.29Å
70	R	97.7	Very high	97.1	Very high	214 Å²	214	55.7 Å²	55.7	81%	0.808	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-72.1	-14.4	179	-65.4	-174.2	-177.7	-170	-0.8	114.9	P48 R68 W72	P48-R70 HydrophobicContact CB-CG 4.32Å; R68-R70 PolarHBondContact O-N 2.86Å; R68-R70 VanDerWaalsContact O-N 3.13Å; R70-W72 PolarHBondContact O-N 3.36Å
71	D	98.2	Very high	97.4	Very high	72 Å²	72	50 Å²	50	39%	0.385	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-80.4	-0.6	175.7	-60.5	-13.9	0	0	0	111.2	R68 G69 V343 A344 A345	R68-D71 WeakPolarHBondContact O-CB 3.19Å; R68-D71 PolarHBondContact O-N 3.29Å; G69-D71 VanDerWaalsContact C-N 3.27Å; G69-D71 PolarHBondContact O-N 3.18Å; D71-V343 CarbonylContact O-C 3.45Å; D71-A344 CarbonylContact O-C 3.23Å; D71-A344 VanDerWaalsContact O-C 3.23Å; D71-A344 WeakPolarHBondContact O-CA 3.4Å; D71-A344 PolarHBondContact O-N 3.01Å; D71-A345 HydrophobicContact CB-CB 4.24Å
72	W	98.7	Very high	97.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.			trans	-101.4	130.9	179.9	-62.1	79.1	0	0	0	111.4	T47 L49 M66 R68 G69 R70 V74 I303 V343 A344 A345 K348 I350	T47-W72 WeakPolarHBondContact CB-O 3.33Å; T47-W72 PolarHBondContact OG1-O 3.34Å; L49-W72 HydrophobicContact CB-CB 4.03Å; L49-W72 HydrophobicContact CB-CD2 4.27Å; L49-W72 HydrophobicContact CB-CG 3.76Å; L49-W72 HydrophobicContact CD1-CD2 4.05Å; L49-W72 HydrophobicContact CD1-CE3 4.08Å; L49-W72 HydrophobicContact CD1-CG 4.32Å; L49-W72 HydrophobicContact CD2-CD2 4.01Å; L49-W72 HydrophobicContact CD2-CG 4.3Å; L49-W72 HydrophobicContact CD2-CZ2 4.02Å; L49-W72 HydrophobicContact CG-CD2 4.34Å; L49-W72 HydrophobicContact CG-CG 4.35Å; M66-W72 HydrophobicContact CB-CZ2 4.21Å; M66-W72 VanDerWaalsContact O-CZ2 3.29Å; M66-W72 WeakPolarHBondContact O-CZ2 3.43Å; M66-W72 PolarHBondContact O-NE1 2.9Å; M66-W72 HydrophobicContact SD-CZ2 4.41Å; R68-W72 VanDerWaalsContact O-CD1 3.22Å; G69-W72 WeakPolarHBondContact O-CB 3.49Å; G69-W72 PolarHBondContact O-N 3.29Å; R70-W72 PolarHBondContact O-N 3.36Å; W72-V74 HydrophobicContact CB-CG2 4.23Å; W72-V74 HydrophobicContact CE3-CG2 3.97Å; W72-I303 HydrophobicContact CH2-CB 4.46Å; W72-I303 HydrophobicContact CH2-CD1 3.79Å; W72-I303 HydrophobicContact CH2-CG1 4.03Å; W72-I303 HydrophobicContact CH2-CG2 3.61Å; W72-I303 HydrophobicContact CZ3-CD1 3.73Å; W72-I303 HydrophobicContact CZ3-CG1 3.84Å; W72-I303 HydrophobicContact CZ3-CG2 4.22Å; W72-V343 CarbonylContact C-O 3.53Å; W72-V343 VanDerWaalsContact CA-O 3.3Å; W72-V343 WeakPolarHBondContact CA-O 3.44Å; W72-A344 HydrophobicContact CD2-CB 4.31Å; W72-A344 HydrophobicContact CE3-CB 3.87Å; W72-A344 HydrophobicContact CH2-CB 4.18Å; W72-A344 HydrophobicContact CZ3-CB 3.8Å; W72-A345 HydrophobicContact CZ2-CB 4.25Å; W72-K348 HydrophobicContact CH2-CB 3.66Å; W72-K348 HydrophobicContact CH2-CG 3.95Å; W72-K348 HydrophobicContact CZ2-CB 3.93Å; W72-K348 HydrophobicContact CZ2-CG 3.82Å; W72-I350 HydrophobicContact CE3-CD1 4Å; W72-I350 HydrophobicContact CE3-CG1 4.22Å; W72-I350 HydrophobicContact CZ3-CD1 4.1Å; W72-I350 HydrophobicContact CZ3-CG1 3.8Å
73	N	98.5	Very high	97.4	Very high	30 Å²	30	45.3 Å²	45.3	16%	0.16	23%	0.228	C	C	.	.			trans	-133.8	89.4	170.4	-61.2	-71.5	0	0	0	106.6	Y229 N342 V343	N73-Y229 VanDerWaalsContact CB-O 3.26Å; N73-Y229 WeakPolarHBondContact CB-O 3.28Å; N73-N342 PolarHBondContact ND2-O 2.63Å; N73-V343 HydrophobicContact CB-CG1 4.42Å; N73-V343 PolarHBondContact N-O 2.94Å; N73-V343 WeakPolarHBondContact O-CB 3.37Å
74	V	98.6	Very high	97.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	105	-168.7	-172.9	0	0	0	0	110.3	I46 L52 W72 L76 I301 I350	I46-V74 PolarHBondContact N-O 3.13Å; I46-V74 PolarHBondContact O-N 3.33Å; L52-V74 HydrophobicContact CD1-CB 4.42Å; L52-V74 HydrophobicContact CD1-CG1 4.28Å; L52-V74 HydrophobicContact CD2-CB 4.08Å; L52-V74 HydrophobicContact CD2-CG1 3.88Å; L52-V74 HydrophobicContact CD2-CG2 4.02Å; W72-V74 HydrophobicContact CB-CG2 4.23Å; W72-V74 HydrophobicContact CE3-CG2 3.97Å; V74-L76 PolarHBondContact O-N 3.4Å; V74-I301 HydrophobicContact CG1-CD1 4.08Å; V74-I301 HydrophobicContact CG1-CG2 3.95Å; V74-I350 HydrophobicContact CG1-CG2 4.35Å; V74-I350 HydrophobicContact CG2-CD1 3.93Å
75	D	98.4	Very high	96.9	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.011	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.1	174.3	-65.4	-12.3	0	0	0	111.1	S45 I77 P78 Y226 L231 I352	S45-D75 WeakPolarHBondContact CB-OD1 3.47Å; S45-D75 PolarHBondContact OG-OD1 2.88Å; D75-I77 VanDerWaalsContact C-N 3.32Å; D75-P78 HydrophobicContact CB-CB 4.28Å; D75-Y226 PolarHBondContact OD2-OH 3.48Å; D75-L231 PolarHBondContact OD1-N 2.98Å; D75-L231 VanDerWaalsContact OD1-N 3.17Å; D75-L231 VanDerWaalsContact OD2-CB 3.22Å; D75-L231 WeakPolarHBondContact OD2-CB 3.5Å; D75-L231 WeakPolarHBondContact OD2-CG 3.3Å; D75-L231 PolarHBondContact OD2-N 3.45Å; D75-I352 WeakPolarHBondContact O-CD1 3.48Å
76	L	98.1	Very high	96.5	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.073	16%	0.156	C	C	.	.	S	Bend	trans	-72.2	-28.9	174.3	-62.2	-177.9	0	0	0	112.4	S44 I46 L52 F56 V74 R299 I301	S44-L76 PolarHBondContact O-N 3.41Å; S44-L76 WeakPolarHBondContact OG-CD1 3.33Å; I46-L76 HydrophobicContact CD1-CD1 4.2Å; I46-L76 HydrophobicContact CD1-CG 4.38Å; I46-L76 HydrophobicContact CG1-CD1 4.27Å; I46-L76 HydrophobicContact CG1-CD2 3.83Å; I46-L76 HydrophobicContact CG1-CG 3.96Å; L52-L76 HydrophobicContact CD1-CD2 4.21Å; F56-L76 HydrophobicContact CE2-CD2 4.09Å; F56-L76 HydrophobicContact CZ-CD2 4.37Å; V74-L76 PolarHBondContact O-N 3.4Å; L76-R299 WeakPolarHBondContact O-CD 3.32Å; L76-I301 HydrophobicContact CD2-CD1 4.25Å
77	I	97.8	Very high	96.2	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.051	16%	0.156	C	C	.	.	S	Bend	trans	-134.3	75.9	179.7	-51	-178.4	0	0	0	108.8	E42 D75 L231 Y404	E42-I77 HydrophobicContact CB-CD1 4.17Å; E42-I77 WeakPolarHBondContact O-CD1 3.2Å; E42-I77 WeakPolarHBondContact O-CG1 3.43Å; D75-I77 VanDerWaalsContact C-N 3.32Å; I77-L231 WeakPolarHBondContact O-CD1 3.49Å; I77-Y404 HydrophobicContact CD1-CD2 4.01Å; I77-Y404 HydrophobicContact CD1-CG 4.35Å; I77-Y404 HydrophobicContact CG2-CG 4.49Å
78	P	93.9	Very high	96	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.039	14%	0.139	C	C	.	.			trans	-68	136.1	177.5	33.6	-42.3	0	0	0	111.2	D75 C335 I337 I352	D75-P78 HydrophobicContact CB-CB 4.28Å; P78-C335 VanDerWaalsContact CB-SG 3.54Å; P78-C335 WeakPolarHBondContact CG-SG 3.33Å; P78-I337 HydrophobicContact CB-CD1 4.35Å; P78-I352 HydrophobicContact CB-CD1 4.06Å; P78-I352 HydrophobicContact CG-CB 3.68Å; P78-I352 HydrophobicContact CG-CD1 3.4Å; P78-I352 HydrophobicContact CG-CG1 4Å; P78-I352 HydrophobicContact CG-CG2 3.73Å
79	K	97.7	Very high	95.6	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	13%	0.127	C	C	.	.			trans	-145	139.4	175.6	-71.7	179.7	-175.3	-75.3	0	109.1	L231 D405 T407 T408 F410	K79-L231 HydrophobicContact CB-CD1 4.46Å; K79-D405 PolarHBondContact NZ-O 3.24Å; K79-D405 IonicContact NZ-OD1 3.41Å; K79-D405 PolarHBondContact NZ-OD1 2.99Å; K79-T407 PolarHBondContact NZ-O 2.97Å; K79-T407 PolarHBondContact NZ-OG1 3.1Å; K79-T408 CarbonylContact C-O 3.54Å; K79-T408 WeakPolarHBondContact CA-O 3.44Å; K79-F410 HydrophobicContact CB-CD1 3.93Å; K79-F410 HydrophobicContact CB-CD2 3.74Å; K79-F410 HydrophobicContact CB-CE1 3.65Å; K79-F410 HydrophobicContact CB-CE2 3.51Å; K79-F410 HydrophobicContact CB-CG 3.98Å; K79-F410 HydrophobicContact CB-CZ 3.47Å; K79-F410 VanDerWaalsContact CB-CZ 3.47Å; K79-F410 HydrophobicContact CD-CD1 3.65Å; K79-F410 HydrophobicContact CD-CE1 3.61Å; K79-F410 HydrophobicContact CD-CG 4.34Å; K79-F410 HydrophobicContact CD-CZ 4.32Å; K79-F410 HydrophobicContact CG-CD1 4.43Å; K79-F410 HydrophobicContact CG-CE1 4.2Å; K79-F410 HydrophobicContact CG-CZ 4.43Å; K79-F410 WeakPolarHBondContact O-CE2 3.47Å
80	F	97.9	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-89	148.6	175.4	-66.6	-40.8	0	0	0	112.4	V105 Y224 Y226 Q318 C335 I337 T408 H409 F410	F80-V105 HydrophobicContact CD1-CG2 3.58Å; F80-V105 HydrophobicContact CD2-CG2 4.39Å; F80-V105 HydrophobicContact CE1-CG1 4.45Å; F80-V105 HydrophobicContact CE1-CG2 3.48Å; F80-V105 VanDerWaalsContact CE1-CG2 3.48Å; F80-V105 HydrophobicContact CE2-CG1 4.09Å; F80-V105 HydrophobicContact CE2-CG2 4.3Å; F80-V105 HydrophobicContact CG-CG2 4.06Å; F80-V105 HydrophobicContact CZ-CG1 3.98Å; F80-V105 HydrophobicContact CZ-CG2 3.86Å; F80-Y224 HydrophobicContact CB-CD1 3.76Å; F80-Y224 HydrophobicContact CB-CG 3.96Å; F80-Y224 HydrophobicContact CD2-CD2 4.49Å; F80-Y224 HydrophobicContact CD2-CG 4.25Å; F80-Y224 HydrophobicContact CG-CG 4.35Å; F80-Y226 AromaticContact CD1-CD2 3.68Å; F80-Y226 HydrophobicContact CD1-CD2 3.68Å; F80-Y226 HydrophobicContact CD1-CG 4.12Å; F80-Y226 AromaticContact CE1-CD2 3.83Å; F80-Y226 HydrophobicContact CE1-CD2 3.83Å; F80-Y226 HydrophobicContact CE1-CG 4.07Å; F80-Q318 HydrophobicContact CD2-CB 4.21Å; F80-Q318 HydrophobicContact CE2-CB 4.05Å; F80-C335 HydrophobicContact CD2-CB 4.35Å; F80-C335 HydrophobicContact CE2-CB 3.59Å; F80-C335 HydrophobicContact CZ-CB 3.74Å; F80-I337 HydrophobicContact CE1-CG2 3.8Å; F80-I337 HydrophobicContact CZ-CG2 4.16Å; F80-T408 PolarHBondContact N-O 3.17Å; F80-H409 VanDerWaalsContact O-CA 3.26Å; F80-H409 WeakPolarHBondContact O-CA 3.35Å; F80-F410 WeakPolarHBondContact O-CD2 3.41Å; F80-F410 PolarHBondContact O-N 2.95Å
81	L	97.3	Very high	94.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.5	175.1	-60.9	84.8	0	0	0	108.9	A83 L87 V88 L91 F102 Y224 L225 L231 F410	L81-A83 PolarHBondContact O-N 3.06Å; L81-L87 HydrophobicContact CD2-CD2 3.75Å; L81-L87 HydrophobicContact CD2-CG 4.03Å; L81-L87 HydrophobicContact CG-CD2 3.85Å; L81-V88 HydrophobicContact CB-CG2 4.02Å; L81-V88 HydrophobicContact CD2-CG2 4.18Å; L81-L91 HydrophobicContact CD2-CD1 3.56Å; L81-F102 HydrophobicContact CD1-CE1 3.98Å; L81-F102 HydrophobicContact CD2-CE1 3.72Å; L81-F102 HydrophobicContact CD2-CZ 4.13Å; L81-F102 HydrophobicContact CG-CE1 4.48Å; L81-Y224 CarbonylContact O-C 3.51Å; L81-Y224 WeakPolarHBondContact O-CA 3.34Å; L81-L225 HydrophobicContact CB-CB 4.23Å; L81-L225 WeakPolarHBondContact CD1-O 3.25Å; L81-L225 PolarHBondContact N-O 2.97Å; L81-L225 PolarHBondContact O-N 3.42Å; L81-L231 HydrophobicContact CD1-CD2 4.41Å; L81-F410 HydrophobicContact CD1-CD2 4.21Å; L81-F410 HydrophobicContact CD1-CE2 3.96Å; L81-F410 HydrophobicContact CG-CD2 3.89Å; L81-F410 HydrophobicContact CG-CE2 4.12Å
82	M	95.7	Very high	94.4	Very high	18 Å²	18	18 Å²	18	9%	0.089	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	124.3	168.5	-177	65.9	71.2	0	0	108.8	N84 G85 V88 L191 L211 Y212 S215 P223 Y224	M82-N84 VanDerWaalsContact C-N 3.29Å; M82-N84 PolarHBondContact O-N 3.27Å; M82-G85 WeakPolarHBondContact O-CA 3.46Å; M82-G85 PolarHBondContact O-N 3.34Å; M82-V88 VanDerWaalsContact O-CG2 3.26Å; M82-V88 WeakPolarHBondContact O-CG2 3.39Å; M82-L191 HydrophobicContact CE-CD1 3.36Å; M82-L211 HydrophobicContact CG-CD1 4.18Å; M82-L211 HydrophobicContact CG-CD2 4.07Å; M82-L211 HydrophobicContact CG-CG 3.9Å; M82-Y212 HydrophobicContact CE-CD2 4.18Å; M82-S215 WeakPolarHBondContact CG-OG 3.49Å; M82-S215 VanDerWaalsContact SD-CB 3.53Å; M82-S215 PolarHBondContact SD-OG 2.82Å; M82-S215 VanDerWaalsContact SD-OG 3.38Å; M82-P223 HydrophobicContact SD-CB 3.66Å; M82-P223 HydrophobicContact SD-CG 4.17Å; M82-Y224 HydrophobicContact CE-CE1 3.91Å
83	A	94.7	Very high	93.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-37.7	-170.6	0	0	0	0	0	114.8	L81 R218 Y219 P223 L225	L81-A83 PolarHBondContact O-N 3.06Å; A83-R218 PolarHBondContact O-NH1 3.26Å; A83-Y219 HydrophobicContact CB-CD2 3.55Å; A83-Y219 HydrophobicContact CB-CE2 3.37Å; A83-P223 WeakPolarHBondContact CB-O 3.28Å; A83-P223 PolarHBondContact N-O 3.27Å; A83-L225 HydrophobicContact CB-CD1 4.39Å; A83-L225 HydrophobicContact CB-CG 4.32Å
84	N	92.1	Very high	93.1	Very high	24 Å²	24	17.1 Å²	17.1	13%	0.128	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	11.3	174.3	-62.7	-5.7	0	0	0	112.4	M82 K89 L211 E214 S215 R218	M82-N84 VanDerWaalsContact C-N 3.29Å; M82-N84 PolarHBondContact O-N 3.27Å; N84-K89 WeakPolarHBondContact O-CE 3.32Å; N84-L211 HydrophobicContact CB-CD1 3.73Å; N84-L211 WeakPolarHBondContact O-CD1 3.41Å; N84-E214 VanDerWaalsContact ND2-C 3.32Å; N84-E214 WeakPolarHBondContact ND2-CB 3.12Å; N84-E214 PolarHBondContact ND2-O 2.91Å; N84-S215 WeakPolarHBondContact CB-OG 3.44Å; N84-S215 PolarHBondContact N-OG 3.45Å; N84-R218 PolarHBondContact OD1-NE 3.27Å; N84-R218 VanDerWaalsContact OD1-NE 3.08Å; N84-R218 PolarHBondContact OD1-NH1 2.93Å; N84-R218 PolarHBondContact OD1-NH2 2.83Å
85	G	91.2	Very high	92.6	Very high	2 Å²	2	19.8 Å²	19.8	2%	0.021	10%	0.097	C	C	.	.	S	Bend	trans	-71.5	170.8	-175.7	0	0	0	0	0	113.6	M82 L87 V88 K89	M82-G85 WeakPolarHBondContact O-CA 3.46Å; M82-G85 PolarHBondContact O-N 3.34Å; G85-L87 VanDerWaalsContact C-N 3.34Å; G85-L87 PolarHBondContact O-N 3.02Å; G85-V88 PolarHBondContact O-N 3.06Å; G85-K89 PolarHBondContact O-N 3.06Å
86	Q	89.6	Confident	92.2	Very high	43 Å²	43	19.7 Å²	19.7	20%	0.201	10%	0.097	C	C	.	.	H	α-helix	trans	-64.9	-37.6	-175.6	-60.4	180	17.6	0	0	112.1	V88 K89 M90 C414	Q86-V88 PolarHBondContact O-N 3.4Å; Q86-K89 WeakPolarHBondContact O-CB 3.15Å; Q86-K89 PolarHBondContact O-N 2.99Å; Q86-M90 WeakPolarHBondContact O-CG 3.26Å; Q86-M90 PolarHBondContact O-N 3.25Å; Q86-C414 HydrophobicContact CB-CB 4.18Å
87	L	91.6	Very high	91.9	Very high	5 Å²	5	21 Å²	21	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-57.8	-50.1	177.1	-172.5	52.4	0	0	0	111.7	L14 I18 L81 G85 K89 M90 L91 F410 C414	L14-L87 HydrophobicContact CD2-CD2 4.47Å; I18-L87 HydrophobicContact CD1-CD1 3.43Å; I18-L87 VanDerWaalsContact CD1-CD1 3.43Å; L81-L87 HydrophobicContact CD2-CD2 3.75Å; L81-L87 HydrophobicContact CD2-CG 4.03Å; L81-L87 HydrophobicContact CG-CD2 3.85Å; G85-L87 VanDerWaalsContact C-N 3.34Å; G85-L87 PolarHBondContact O-N 3.02Å; L87-K89 PolarHBondContact O-N 3.14Å; L87-M90 WeakPolarHBondContact O-CA 3.33Å; L87-M90 WeakPolarHBondContact O-CB 3.44Å; L87-M90 PolarHBondContact O-N 3.33Å; L87-L91 HydrophobicContact CD1-CD2 4.43Å; L87-L91 HydrophobicContact CD1-CG 4.38Å; L87-L91 HydrophobicContact CG-CD1 4.36Å; L87-L91 HydrophobicContact CG-CG 4.36Å; L87-L91 WeakPolarHBondContact O-CG 3.41Å; L87-L91 PolarHBondContact O-N 3.47Å; L87-F410 HydrophobicContact CB-CB 4.44Å; L87-F410 HydrophobicContact CD2-CB 3.49Å; L87-F410 VanDerWaalsContact CD2-CB 3.49Å; L87-F410 HydrophobicContact CD2-CD1 4.05Å; L87-F410 HydrophobicContact CD2-CD2 3.38Å; L87-F410 HydrophobicContact CD2-CE2 4.01Å; L87-F410 HydrophobicContact CD2-CG 3.37Å; L87-C414 WeakPolarHBondContact CB-SG 3.32Å; L87-C414 PolarHBondContact N-SG 3.36Å; L87-C414 VanDerWaalsContact N-SG 3.42Å
88	V	92.4	Very high	91.5	Very high	18 Å²	18	28.6 Å²	28.6	11%	0.109	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-38.8	-180	176.3	0	0	0	0	110.7	L81 M82 G85 Q86 M90 L91 L92 L225	L81-V88 HydrophobicContact CB-CG2 4.02Å; L81-V88 HydrophobicContact CD2-CG2 4.18Å; M82-V88 VanDerWaalsContact O-CG2 3.26Å; M82-V88 WeakPolarHBondContact O-CG2 3.39Å; G85-V88 PolarHBondContact O-N 3.06Å; Q86-V88 PolarHBondContact O-N 3.4Å; V88-M90 VanDerWaalsContact C-N 3.34Å; V88-M90 PolarHBondContact O-N 3.41Å; V88-L91 PolarHBondContact O-N 3.23Å; V88-L92 HydrophobicContact CG1-CD1 4.1Å; V88-L92 HydrophobicContact CG1-CG 4.48Å; V88-L92 WeakPolarHBondContact O-CB 3.28Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 3.09Å; V88-L225 HydrophobicContact CG2-CD1 4.43Å
89	K	90.3	Very high	91.3	Very high	106 Å²	106	31.2 Å²	31.2	46%	0.461	14%	0.143	S	C	.	.	H	α-helix	trans	-62.5	-39.5	173.8	-64.3	176.1	-176.7	178.7	0	112	N84 G85 Q86 L87 Y93 F431	N84-K89 WeakPolarHBondContact O-CE 3.32Å; G85-K89 PolarHBondContact O-N 3.06Å; Q86-K89 WeakPolarHBondContact O-CB 3.15Å; Q86-K89 PolarHBondContact O-N 2.99Å; L87-K89 PolarHBondContact O-N 3.14Å; K89-Y93 WeakPolarHBondContact O-CB 3.22Å; K89-Y93 PolarHBondContact O-N 2.8Å; K89-F431 HydrophobicContact CB-CD1 3.78Å; K89-F431 HydrophobicContact CB-CE1 3.43Å; K89-F431 VanDerWaalsContact CB-CE1 3.43Å; K89-F431 HydrophobicContact CB-CZ 3.9Å
90	M	89.1	Confident	91.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.5	-43.4	176	-66.8	174.1	-175.4	0	0	111.4	I18 Q86 L87 V88 L92 Y93 T94 I417 K418 F429 F431	I18-M90 HydrophobicContact CG2-SD 4.29Å; Q86-M90 WeakPolarHBondContact O-CG 3.26Å; Q86-M90 PolarHBondContact O-N 3.25Å; L87-M90 WeakPolarHBondContact O-CA 3.33Å; L87-M90 WeakPolarHBondContact O-CB 3.44Å; L87-M90 PolarHBondContact O-N 3.33Å; V88-M90 VanDerWaalsContact C-N 3.34Å; V88-M90 PolarHBondContact O-N 3.41Å; M90-L92 VanDerWaalsContact C-N 3.32Å; M90-L92 PolarHBondContact O-N 3.43Å; M90-Y93 WeakPolarHBondContact O-CB 3.35Å; M90-Y93 PolarHBondContact O-N 2.73Å; M90-T94 WeakPolarHBondContact O-CG2 3.43Å; M90-T94 PolarHBondContact O-N 3.24Å; M90-T94 PolarHBondContact O-OG1 2.99Å; M90-I417 HydrophobicContact CE-CG2 4.04Å; M90-I417 HydrophobicContact SD-CG2 3.88Å; M90-K418 HydrophobicContact CE-CD 3.94Å; M90-K418 HydrophobicContact CE-CG 3.52Å; M90-F429 HydrophobicContact CG-CE1 4.18Å; M90-F429 HydrophobicContact CG-CZ 4.31Å; M90-F431 HydrophobicContact CB-CE1 4.35Å; M90-F431 HydrophobicContact CE-CZ 4.18Å; M90-F431 HydrophobicContact CG-CE1 3.61Å; M90-F431 HydrophobicContact CG-CZ 3.74Å
91	L	90.7	Very high	91.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-39.3	177.6	-60.7	179.3	0	0	0	112.1	L81 L87 V88 T94 E95 V96 T97 F102 L234 F238	L81-L91 HydrophobicContact CD2-CD1 3.56Å; L87-L91 HydrophobicContact CD1-CD2 4.43Å; L87-L91 HydrophobicContact CD1-CG 4.38Å; L87-L91 HydrophobicContact CG-CD1 4.36Å; L87-L91 HydrophobicContact CG-CG 4.36Å; L87-L91 WeakPolarHBondContact O-CG 3.41Å; L87-L91 PolarHBondContact O-N 3.47Å; V88-L91 PolarHBondContact O-N 3.23Å; L91-T94 PolarHBondContact O-OG1 2.79Å; L91-E95 PolarHBondContact O-N 2.85Å; L91-V96 HydrophobicContact CB-CG1 3.9Å; L91-V96 HydrophobicContact CD2-CG1 3.55Å; L91-V96 HydrophobicContact CG-CG1 4.3Å; L91-V96 PolarHBondContact O-N 2.97Å; L91-T97 HydrophobicContact CB-CG2 3.74Å; L91-F102 HydrophobicContact CD1-CE2 4.39Å; L91-F102 HydrophobicContact CD1-CZ 3.73Å; L91-L234 HydrophobicContact CD1-CD2 3.93Å; L91-L234 HydrophobicContact CD2-CD2 3.86Å; L91-F238 HydrophobicContact CD2-CE2 3.56Å; L91-F238 HydrophobicContact CD2-CZ 3.64Å
92	L	88.8	Confident	91	Very high	97 Å²	97	40.1 Å²	40.1	51%	0.508	19%	0.187	S	C	.	.	H	α-helix	trans	-66.4	-42.5	175.2	-73.8	168.5	0	0	0	111.3	V88 M90 E95 T97	V88-L92 HydrophobicContact CG1-CD1 4.1Å; V88-L92 HydrophobicContact CG1-CG 4.48Å; V88-L92 WeakPolarHBondContact O-CB 3.28Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 3.09Å; M90-L92 VanDerWaalsContact C-N 3.32Å; M90-L92 PolarHBondContact O-N 3.43Å; L92-E95 PolarHBondContact O-N 3.22Å; L92-E95 VanDerWaalsContact O-N 3.15Å; L92-T97 HydrophobicContact CD2-CG2 4.05Å; L92-T97 HydrophobicContact CG-CG2 4.33Å
93	Y	84.9	Confident	91.1	Very high	11 Å²	11	42.9 Å²	42.9	4%	0.043	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-44.9	177.7	168.9	-112.4	0	0	0	112.2	V25 N26 K89 M90 E95 F429 M434	V25-Y93 HydrophobicContact CG1-CE1 4.31Å; N26-Y93 PolarHBondContact OD1-OH 2.78Å; K89-Y93 WeakPolarHBondContact O-CB 3.22Å; K89-Y93 PolarHBondContact O-N 2.8Å; M90-Y93 WeakPolarHBondContact O-CB 3.35Å; M90-Y93 PolarHBondContact O-N 2.73Å; Y93-E95 PolarHBondContact O-N 3.01Å; Y93-F429 HydrophobicContact CD1-CZ 4.23Å; Y93-M434 HydrophobicContact CD1-SD 4.28Å; Y93-M434 HydrophobicContact CD2-CB 4.05Å; Y93-M434 HydrophobicContact CE1-CB 4.36Å; Y93-M434 HydrophobicContact CE1-SD 3.65Å; Y93-M434 HydrophobicContact CE2-CB 3.43Å; Y93-M434 VanDerWaalsContact CE2-CB 3.43Å; Y93-M434 HydrophobicContact CE2-CG 4.35Å; Y93-M434 HydrophobicContact CE2-SD 4.41Å
94	T	85.2	Confident	91.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-3.3	179.3	62.6	0	0	0	0	113.1	I22 M90 L91 V96 F238 L241	I22-T94 HydrophobicContact CG1-CG2 3.93Å; M90-T94 WeakPolarHBondContact O-CG2 3.43Å; M90-T94 PolarHBondContact O-N 3.24Å; M90-T94 PolarHBondContact O-OG1 2.99Å; L91-T94 PolarHBondContact O-OG1 2.79Å; T94-V96 PolarHBondContact O-N 3.3Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.3Å; T94-F238 HydrophobicContact CG2-CE1 4.07Å; T94-L241 HydrophobicContact CG2-CD2 4.47Å; T94-L241 WeakPolarHBondContact O-CD1 3.3Å; T94-L241 VanDerWaalsContact O-CD2 3.25Å; T94-L241 WeakPolarHBondContact O-CD2 3.4Å
95	E	88.1	Confident	91.5	Very high	58 Å²	58	43.1 Å²	43.1	27%	0.271	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	12.8	-173.9	-49.5	-161.5	124.8	0	0	115.1	L91 L92 Y93 T97 R98	L91-E95 PolarHBondContact O-N 2.85Å; L92-E95 PolarHBondContact O-N 3.22Å; L92-E95 VanDerWaalsContact O-N 3.15Å; Y93-E95 PolarHBondContact O-N 3.01Å; E95-T97 PolarHBondContact O-N 2.9Å; E95-T97 VanDerWaalsContact O-N 3.15Å; E95-R98 VanDerWaalsContact CD-CZ 3.47Å; E95-R98 WeakPolarHBondContact O-CB 3.4Å; E95-R98 WeakPolarHBondContact O-CG 3.18Å; E95-R98 PolarHBondContact O-N 3.05Å; E95-R98 VanDerWaalsContact O-N 3.12Å; E95-R98 IonicContact OE1-CZ 2.78Å; E95-R98 IonicContact OE1-NE 2.81Å; E95-R98 IonicContact OE1-NH2 2.71Å; E95-R98 PolarHBondContact OE1-NH2 2.72Å; E95-R98 IonicContact OE2-CZ 2.95Å; E95-R98 IonicContact OE2-NE 3.36Å; E95-R98 IonicContact OE2-NH1 3.74Å; E95-R98 PolarHBondContact OE2-NH1 3.42Å; E95-R98 IonicContact OE2-NH2 3.39Å; E95-R98 PolarHBondContact OE2-NH2 3.01Å
96	V	90	Very high	91.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-65.5	-20.1	-179.6	75.6	0	0	0	0	111.8	L91 T94 R98 Y99 L100 G237 F238 L241	L91-V96 HydrophobicContact CB-CG1 3.9Å; L91-V96 HydrophobicContact CD2-CG1 3.55Å; L91-V96 HydrophobicContact CG-CG1 4.3Å; L91-V96 PolarHBondContact O-N 2.97Å; T94-V96 PolarHBondContact O-N 3.3Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.3Å; V96-R98 PolarHBondContact O-N 3.38Å; V96-Y99 HydrophobicContact CG2-CD2 4.09Å; V96-Y99 PolarHBondContact O-N 2.7Å; V96-L100 HydrophobicContact CG1-CD1 4.09Å; V96-L100 HydrophobicContact CG2-CD1 4.4Å; V96-G237 WeakPolarHBondContact CG2-O 3.42Å; V96-F238 HydrophobicContact CB-CE1 4.34Å; V96-F238 HydrophobicContact CB-CZ 4.37Å; V96-F238 HydrophobicContact CG1-CE1 4.22Å; V96-F238 HydrophobicContact CG1-CE2 4.04Å; V96-F238 HydrophobicContact CG1-CZ 3.78Å; V96-F238 HydrophobicContact CG2-CD1 4.4Å; V96-F238 HydrophobicContact CG2-CD2 4.36Å; V96-F238 HydrophobicContact CG2-CE2 4.49Å; V96-F238 HydrophobicContact CG2-CG 4.3Å; V96-L241 HydrophobicContact CB-CD2 4.46Å
97	T	90.8	Very high	92.1	Very high	41 Å²	41	43.3 Å²	43.3	25%	0.252	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-57.3	-18.4	173.4	54.2	0	0	0	0	113.3	L91 L92 E95 Y99 L100 F102	L91-T97 HydrophobicContact CB-CG2 3.74Å; L92-T97 HydrophobicContact CD2-CG2 4.05Å; L92-T97 HydrophobicContact CG-CG2 4.33Å; E95-T97 PolarHBondContact O-N 2.9Å; E95-T97 VanDerWaalsContact O-N 3.15Å; T97-Y99 PolarHBondContact O-N 2.85Å; T97-L100 PolarHBondContact O-N 2.97Å; T97-F102 HydrophobicContact CG2-CE2 4.4Å
98	R	90.1	Very high	92.3	Very high	170 Å²	170	43.2 Å²	43.2	64%	0.642	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-64.3	-15.9	172.4	-64.9	175.1	-179.7	-170.5	0.4	113.3	E95 V96	E95-R98 VanDerWaalsContact CD-CZ 3.47Å; E95-R98 WeakPolarHBondContact O-CB 3.4Å; E95-R98 WeakPolarHBondContact O-CG 3.18Å; E95-R98 PolarHBondContact O-N 3.05Å; E95-R98 VanDerWaalsContact O-N 3.12Å; E95-R98 IonicContact OE1-CZ 2.78Å; E95-R98 IonicContact OE1-NE 2.81Å; E95-R98 IonicContact OE1-NH2 2.71Å; E95-R98 PolarHBondContact OE1-NH2 2.72Å; E95-R98 IonicContact OE2-CZ 2.95Å; E95-R98 IonicContact OE2-NE 3.36Å; E95-R98 IonicContact OE2-NH1 3.74Å; E95-R98 PolarHBondContact OE2-NH1 3.42Å; E95-R98 IonicContact OE2-NH2 3.39Å; E95-R98 PolarHBondContact OE2-NH2 3.01Å; V96-R98 PolarHBondContact O-N 3.38Å
99	Y	89.9	Confident	92.6	Very high	60 Å²	60	43 Å²	43	24%	0.235	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-111.1	3.3	-179.1	-47.5	-50.7	0	0	0	113.1	V96 T97 R240 I244	V96-Y99 HydrophobicContact CG2-CD2 4.09Å; V96-Y99 PolarHBondContact O-N 2.7Å; T97-Y99 PolarHBondContact O-N 2.85Å; Y99-R240 VanDerWaalsContact CE1-CZ 3.46Å; Y99-R240 HydrophobicContact CE2-CG 4.22Å; Y99-I244 WeakPolarHBondContact OH-CD1 3.32Å
100	L	94.2	Very high	92.9	Very high	11 Å²	11	38 Å²	38	6%	0.058	18%	0.178	C	C	.	.			trans	-130.1	125.3	-169.4	-60	170.6	0	0	0	110	V96 T97 F102 E233 L234	V96-L100 HydrophobicContact CG1-CD1 4.09Å; V96-L100 HydrophobicContact CG2-CD1 4.4Å; T97-L100 PolarHBondContact O-N 2.97Å; L100-F102 HydrophobicContact CB-CD2 4.23Å; L100-F102 HydrophobicContact CB-CE2 3.56Å; L100-F102 HydrophobicContact CB-CZ 4Å; L100-F102 HydrophobicContact CD1-CE2 4.02Å; L100-F102 HydrophobicContact CD1-CZ 3.86Å; L100-F102 HydrophobicContact CG-CE2 4.45Å; L100-E233 HydrophobicContact CD2-CB 3.68Å; L100-E233 WeakPolarHBondContact CD2-O 3.44Å; L100-L234 HydrophobicContact CD1-CD2 3.55Å; L100-L234 HydrophobicContact CD1-CG 4.49Å
101	D	96.1	Very high	93.3	Very high	117 Å²	117	39.2 Å²	39.2	63%	0.626	18%	0.183	S	C	*	.			trans	-98	117.7	170.4	-73.5	-48.9	0	0	0	109.5	P227 L228	D101-P227 CarbonylContact O-C 3.59Å; D101-P227 WeakPolarHBondContact O-CA 3.38Å; D101-L228 HydrophobicContact CB-CB 4.36Å; D101-L228 HydrophobicContact CB-CD1 3.8Å; D101-L228 HydrophobicContact CB-CG 4.15Å; D101-L228 PolarHBondContact O-N 3.24Å
102	F	96.6	Very high	93.5	Very high	60 Å²	60	41.1 Å²	41.1	26%	0.263	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139	177.9	-69.6	-82.9	0	0	0	111.6	L81 L91 T97 L100 L225 P227 L234	L81-F102 HydrophobicContact CD1-CE1 3.98Å; L81-F102 HydrophobicContact CD2-CE1 3.72Å; L81-F102 HydrophobicContact CD2-CZ 4.13Å; L81-F102 HydrophobicContact CG-CE1 4.48Å; L91-F102 HydrophobicContact CD1-CE2 4.39Å; L91-F102 HydrophobicContact CD1-CZ 3.73Å; T97-F102 HydrophobicContact CG2-CE2 4.4Å; L100-F102 HydrophobicContact CB-CD2 4.23Å; L100-F102 HydrophobicContact CB-CE2 3.56Å; L100-F102 HydrophobicContact CB-CZ 4Å; L100-F102 HydrophobicContact CD1-CE2 4.02Å; L100-F102 HydrophobicContact CD1-CZ 3.86Å; L100-F102 HydrophobicContact CG-CE2 4.45Å; F102-L225 HydrophobicContact CB-CB 4.41Å; F102-L225 HydrophobicContact CB-CD1 4.48Å; F102-L225 HydrophobicContact CD1-CB 4.21Å; F102-P227 HydrophobicContact CD1-CB 4.25Å; F102-P227 HydrophobicContact CE1-CB 4.06Å; F102-P227 HydrophobicContact CE1-CG 4.44Å; F102-L234 HydrophobicContact CZ-CD2 4.44Å
103	K	97.4	Very high	93.5	Very high	76 Å²	76	39.6 Å²	39.6	33%	0.33	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.1	170.3	-172.4	178.4	179.2	75.2	0	110.1	L225 Y226 L228 A340	K103-L225 WeakPolarHBondContact O-CA 3.37Å; K103-Y226 PolarHBondContact N-O 2.88Å; K103-Y226 PolarHBondContact O-N 2.84Å; K103-L228 HydrophobicContact CB-CD2 3.95Å; K103-L228 HydrophobicContact CD-CD2 4.12Å; K103-A340 WeakPolarHBondContact CD-O 3.14Å; K103-A340 WeakPolarHBondContact CE-O 3.43Å
104	V	97.6	Very high	93.9	Very high	30 Å²	30	41.1 Å²	41.1	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130	175.9	-177.3	0	0	0	0	109.3	Y219 K221 L225	V104-Y219 HydrophobicContact CG1-CG 4.41Å; V104-Y219 HydrophobicContact CG2-CD1 3.45Å; V104-Y219 VanDerWaalsContact CG2-CD1 3.45Å; V104-Y219 HydrophobicContact CG2-CD2 4.31Å; V104-Y219 HydrophobicContact CG2-CE1 4.14Å; V104-Y219 HydrophobicContact CG2-CG 3.55Å; V104-K221 HydrophobicContact CG1-CB 4.08Å; V104-L225 HydrophobicContact CB-CD2 4.43Å; V104-L225 HydrophobicContact CG2-CD2 3.82Å
105	V	98	Very high	94.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.			trans	-68.4	137.5	172.8	176.3	0	0	0	0	109.2	F80 S222 Y224 S316	F80-V105 HydrophobicContact CD1-CG2 3.58Å; F80-V105 HydrophobicContact CD2-CG2 4.39Å; F80-V105 HydrophobicContact CE1-CG1 4.45Å; F80-V105 HydrophobicContact CE1-CG2 3.48Å; F80-V105 VanDerWaalsContact CE1-CG2 3.48Å; F80-V105 HydrophobicContact CE2-CG1 4.09Å; F80-V105 HydrophobicContact CE2-CG2 4.3Å; F80-V105 HydrophobicContact CG-CG2 4.06Å; F80-V105 HydrophobicContact CZ-CG1 3.98Å; F80-V105 HydrophobicContact CZ-CG2 3.86Å; V105-S222 WeakPolarHBondContact CB-OG 3.31Å; V105-S222 WeakPolarHBondContact O-CB 3.48Å; V105-S222 PolarHBondContact O-OG 3.19Å; V105-Y224 PolarHBondContact N-O 2.97Å; V105-S316 WeakPolarHBondContact CA-OG 3.4Å
106	E	96.9	Very high	94.8	Very high	45 Å²	45	44.7 Å²	44.7	21%	0.21	23%	0.233	C	C	.	.			trans	-79.9	-26.4	-165.5	-56.9	-154.7	124.8	0	0	114.6	K221 A314 N315 S316	E106-K221 HydrophobicContact CB-CD 4.4Å; E106-K221 HydrophobicContact CG-CD 4.37Å; E106-K221 IonicContact OE1-NZ 3.23Å; E106-K221 PolarHBondContact OE1-NZ 3.34Å; E106-A314 HydrophobicContact CB-CB 4.2Å; E106-N315 WeakPolarHBondContact OE2-CB 3.32Å; E106-N315 PolarHBondContact OE2-N 2.95Å; E106-N315 PolarHBondContact OE2-ND2 3.49Å; E106-S316 WeakPolarHBondContact CB-O 3.5Å; E106-S316 PolarHBondContact N-O 3.26Å; E106-S316 VanDerWaalsContact N-O 3.13Å; E106-S316 PolarHBondContact N-OG 2.93Å
107	G	94.9	Very high	95	Very high	3 Å²	3	47.6 Å²	47.6	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.5	-177.7	0	0	0	0	0	114.5	S316 C317 Q318	G107-S316 PolarHBondContact N-O 3.37Å; G107-S316 VanDerWaalsContact N-O 3.16Å; G107-C317 CarbonylContact O-C 3.53Å; G107-C317 WeakPolarHBondContact O-CA 3.44Å; G107-Q318 PolarHBondContact O-N 3.35Å
108	S	96.9	Very high	95.2	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125	168.3	-179.4	0	0	0	0	108.7	K118 V119 Y212 Q318	S108-K118 WeakPolarHBondContact O-CA 3.3Å; S108-V119 PolarHBondContact O-N 2.61Å; S108-Y212 WeakPolarHBondContact CB-OH 3.33Å; S108-Y212 PolarHBondContact OG-OH 3.2Å; S108-Y212 VanDerWaalsContact OG-OH 3.12Å; S108-Q318 CarbonylContact C-O 3.24Å; S108-Q318 WeakPolarHBondContact CA-O 3.47Å
109	F	97.5	Very high	95.4	Very high	14 Å²	14	42.2 Å²	42.2	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.3	-171.6	-55.6	-91.2	0	0	0	110.6	I116 Y117 K118 T311 C317 Q318 I319 I320	F109-I116 HydrophobicContact CB-CB 4.28Å; F109-I116 HydrophobicContact CB-CD1 4.46Å; F109-I116 HydrophobicContact CD1-CD1 4.42Å; F109-I116 HydrophobicContact CG-CD1 4.38Å; F109-Y117 CarbonylContact C-O 3.59Å; F109-Y117 WeakPolarHBondContact CA-O 3.49Å; F109-K118 HydrophobicContact CD1-CB 4.39Å; F109-K118 HydrophobicContact CE1-CB 4.34Å; F109-T311 HydrophobicContact CD2-CG2 4.15Å; F109-T311 HydrophobicContact CE1-CG2 4.39Å; F109-T311 HydrophobicContact CE2-CG2 3.79Å; F109-T311 VanDerWaalsContact CZ-CA 3.49Å; F109-T311 HydrophobicContact CZ-CG2 3.94Å; F109-C317 HydrophobicContact CD2-CB 3.76Å; F109-C317 HydrophobicContact CE2-CB 3.56Å; F109-Q318 PolarHBondContact N-O 2.99Å; F109-I319 HydrophobicContact CB-CG1 4.27Å; F109-I319 HydrophobicContact CB-CG2 4.47Å; F109-I319 HydrophobicContact CD2-CG1 4.49Å; F109-I319 WeakPolarHBondContact O-CA 3.22Å; F109-I320 PolarHBondContact O-N 3.24Å
110	V	97.6	Very high	95.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.1	173.7	63.8	0	0	0	0	109.4	I116 Y117 V119 L131 F184 A188 I320 P322	V110-I116 WeakPolarHBondContact O-CA 3.44Å; V110-Y117 PolarHBondContact N-O 2.89Å; V110-Y117 PolarHBondContact O-N 2.94Å; V110-V119 HydrophobicContact CB-CG2 3.98Å; V110-V119 HydrophobicContact CG1-CG2 4.08Å; V110-L131 HydrophobicContact CG1-CD1 3.65Å; V110-L131 HydrophobicContact CG1-CD2 4.04Å; V110-L131 HydrophobicContact CG1-CG 4.47Å; V110-F184 HydrophobicContact CB-CB 4.41Å; V110-F184 HydrophobicContact CG1-CB 3.99Å; V110-F184 HydrophobicContact CG2-CB 3.87Å; V110-A188 HydrophobicContact CB-CB 3.99Å; V110-A188 HydrophobicContact CG2-CB 4.02Å; V110-I320 CarbonylContact C-O 3.52Å; V110-I320 WeakPolarHBondContact CA-O 2.84Å; V110-P322 HydrophobicContact CG2-CG 3.79Å
111	Y	97.2	Very high	94.5	Very high	25 Å²	25	39.2 Å²	39.2	10%	0.098	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	136.4	176	-177.6	-83.9	0	0	0	111	G114 K115 I116 I320 I321 Q325 V326 L372	Y111-G114 VanDerWaalsContact CZ-CA 3.44Å; Y111-G114 VanDerWaalsContact CZ-N 3.33Å; Y111-G114 WeakPolarHBondContact OH-CA 3.26Å; Y111-G114 PolarHBondContact OH-N 3.03Å; Y111-K115 CarbonylContact C-O 3.55Å; Y111-K115 WeakPolarHBondContact CA-O 3.14Å; Y111-I116 HydrophobicContact CD2-CG2 4.28Å; Y111-I320 PolarHBondContact N-O 2.8Å; Y111-I321 HydrophobicContact CD1-CG2 3.91Å; Y111-I321 HydrophobicContact CD2-CD1 4.5Å; Y111-I321 HydrophobicContact CE1-CG2 4.5Å; Y111-I321 HydrophobicContact CG-CG1 4.34Å; Y111-I321 HydrophobicContact CG-CG2 3.95Å; Y111-Q325 HydrophobicContact CD1-CB 3.89Å; Y111-Q325 HydrophobicContact CE1-CB 4.21Å; Y111-V326 HydrophobicContact CE1-CG1 4.28Å; Y111-L372 HydrophobicContact CD2-CD1 4.1Å; Y111-L372 HydrophobicContact CD2-CD2 4.43Å; Y111-L372 HydrophobicContact CE2-CD2 4.38Å
112	K	94.2	Very high	93.8	Very high	42 Å²	42	36.5 Å²	36.5	18%	0.183	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	121.3	171.9	-179.9	176.3	177.5	168.2	0	109.8	G114 K115 Y117 L131 D180	K112-G114 PolarHBondContact O-N 2.83Å; K112-K115 PolarHBondContact N-O 3.37Å; K112-K115 PolarHBondContact O-N 2.92Å; K112-Y117 HydrophobicContact CB-CD2 4.15Å; K112-Y117 HydrophobicContact CB-CE2 4.04Å; K112-L131 HydrophobicContact CB-CD2 3.95Å; K112-L131 HydrophobicContact CD-CD2 3.87Å; K112-L131 PolarHBondContact NZ-O 3Å; K112-D180 HydrophobicContact CD-CB 4.48Å; K112-D180 VanDerWaalsContact CE-CG 3.49Å; K112-D180 WeakPolarHBondContact CE-OD2 3.39Å; K112-D180 VanDerWaalsContact NZ-CB 3.25Å; K112-D180 VanDerWaalsContact NZ-CG 3.3Å; K112-D180 IonicContact NZ-OD2 2.75Å; K112-D180 PolarHBondContact NZ-OD2 3.46Å
113	G	90.2	Very high	93.2	Very high	65 Å²	65	37.4 Å²	37.4	67%	0.67	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	49.1	173.2	0	0	0	0	0	115.1
114	G	92.6	Very high	92.6	Very high	43 Å²	43	39.1 Å²	39.1	44%	0.443	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-0.9	176.7	0	0	0	0	0	115.8	Y111 K112	Y111-G114 VanDerWaalsContact CZ-CA 3.44Å; Y111-G114 VanDerWaalsContact CZ-N 3.33Å; Y111-G114 WeakPolarHBondContact OH-CA 3.26Å; Y111-G114 PolarHBondContact OH-N 3.03Å; K112-G114 PolarHBondContact O-N 2.83Å
115	K	94.9	Very high	92	Very high	121 Å²	121	39.6 Å²	39.6	53%	0.526	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	155.9	-176.2	-64	-177.8	-177.2	179.6	0	111.3	Y111 K112 Y117	Y111-K115 CarbonylContact C-O 3.55Å; Y111-K115 WeakPolarHBondContact CA-O 3.14Å; K112-K115 PolarHBondContact N-O 3.37Å; K112-K115 PolarHBondContact O-N 2.92Å; K115-Y117 HydrophobicContact CB-CE2 3.73Å
116	I	96.9	Very high	91.5	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.056	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	148.1	172	64.1	172.3	0	0	0	111.1	F109 V110 Y111 I308 K309 D310 T311 I319 L372	F109-I116 HydrophobicContact CB-CB 4.28Å; F109-I116 HydrophobicContact CB-CD1 4.46Å; F109-I116 HydrophobicContact CD1-CD1 4.42Å; F109-I116 HydrophobicContact CG-CD1 4.38Å; V110-I116 WeakPolarHBondContact O-CA 3.44Å; Y111-I116 HydrophobicContact CD2-CG2 4.28Å; I116-I308 HydrophobicContact CD1-CG2 4.36Å; I116-K309 WeakPolarHBondContact CD1-O 3.35Å; I116-D310 HydrophobicContact CD1-CB 4.43Å; I116-D310 HydrophobicContact CG1-CB 4Å; I116-T311 HydrophobicContact CD1-CG2 3.66Å; I116-I319 HydrophobicContact CD1-CD1 4.07Å; I116-I319 HydrophobicContact CG2-CG2 3.72Å; I116-L372 HydrophobicContact CG2-CD1 3.75Å; I116-L372 HydrophobicContact CG2-CD2 4.12Å
117	Y	95.7	Very high	91	Very high	61 Å²	61	41.5 Å²	41.5	24%	0.239	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145.4	179.1	-59.8	-95.4	0	0	0	109.9	F109 V110 K112 K115 V119 N130 L131	F109-Y117 CarbonylContact C-O 3.59Å; F109-Y117 WeakPolarHBondContact CA-O 3.49Å; V110-Y117 PolarHBondContact N-O 2.89Å; V110-Y117 PolarHBondContact O-N 2.94Å; K112-Y117 HydrophobicContact CB-CD2 4.15Å; K112-Y117 HydrophobicContact CB-CE2 4.04Å; K115-Y117 HydrophobicContact CB-CE2 3.73Å; Y117-V119 PolarHBondContact O-N 2.87Å; Y117-N130 HydrophobicContact CD1-CB 3.98Å; Y117-N130 HydrophobicContact CE1-CB 3.9Å; Y117-L131 HydrophobicContact CD1-CD2 4.35Å; Y117-L131 HydrophobicContact CD1-CG 4.41Å; Y117-L131 HydrophobicContact CD2-CD2 3.43Å; Y117-L131 VanDerWaalsContact CD2-CD2 3.43Å; Y117-L131 HydrophobicContact CD2-CG 4.29Å; Y117-L131 HydrophobicContact CE2-CD2 4.23Å; Y117-L131 HydrophobicContact CG-CD2 3.51Å; Y117-L131 HydrophobicContact CG-CG 3.85Å
118	K	94.7	Very high	90.7	Very high	97 Å²	97	44.7 Å²	44.7	42%	0.422	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	131.9	172.8	-170.1	-177.6	-171.6	-163.2	0	110	S108 F109 P120 E125	S108-K118 WeakPolarHBondContact O-CA 3.3Å; F109-K118 HydrophobicContact CD1-CB 4.39Å; F109-K118 HydrophobicContact CE1-CB 4.34Å; K118-P120 VanDerWaalsContact O-CD 3.31Å; K118-P120 WeakPolarHBondContact O-CD 3.31Å; K118-E125 WeakPolarHBondContact CE-OE1 3.44Å; K118-E125 IonicContact NZ-OE1 2.8Å; K118-E125 PolarHBondContact NZ-OE1 2.94Å
119	V	93.1	Very high	90.3	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-68.1	117.1	176.9	179.3	0	0	0	0	109.4	S108 V110 Y117 A188 L189	S108-V119 PolarHBondContact O-N 2.61Å; V110-V119 HydrophobicContact CB-CG2 3.98Å; V110-V119 HydrophobicContact CG1-CG2 4.08Å; Y117-V119 PolarHBondContact O-N 2.87Å; V119-A188 HydrophobicContact CG1-CB 4.29Å; V119-A188 HydrophobicContact CG2-CB 3.83Å; V119-L189 HydrophobicContact CG1-CD2 3.48Å; V119-L189 VanDerWaalsContact CG1-CD2 3.48Å; V119-L189 HydrophobicContact CG1-CG 3.92Å
120	P	87.8	Confident	89.9	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.013	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-79.1	124.8	177.6	30	-30.7	0	0	0	110.2	K118 E125 A126 L131 M132 F140 F184	K118-P120 VanDerWaalsContact O-CD 3.31Å; K118-P120 WeakPolarHBondContact O-CD 3.31Å; P120-E125 HydrophobicContact CB-CB 4.1Å; P120-A126 HydrophobicContact CB-CB 4.43Å; P120-L131 HydrophobicContact CG-CD1 4.28Å; P120-M132 HydrophobicContact CG-CE 3.94Å; P120-F140 HydrophobicContact CB-CE1 4.48Å; P120-F140 HydrophobicContact CG-CE1 4.04Å; P120-F184 HydrophobicContact CG-CE2 4.08Å; P120-F184 HydrophobicContact CG-CZ 4.32Å
121	S	78.4	Confident	89.5	Confident	5 Å²	5	51 Å²	51	4%	0.035	29%	0.293	C	S	.	.			trans	-134.6	3.5	-177.7	56.5	0	0	0	0	114.2	E125 Y212 S213 L216	S121-E125 PolarHBondContact N-OE2 3.39Å; S121-E125 VanDerWaalsContact N-OE2 3.1Å; S121-E125 PolarHBondContact OG-OE2 3.02Å; S121-Y212 VanDerWaalsContact CB-CE1 3.5Å; S121-S213 PolarHBondContact O-OG 3.26Å; S121-L216 WeakPolarHBondContact OG-CD2 3.2Å
122	T	80	Confident	89.2	Confident	60 Å²	60	50.3 Å²	50.3	37%	0.368	29%	0.291	S	S	.	.	S	Bend	trans	-123.5	162.6	168.4	66.6	0	0	0	0	110.4	T124 E125 A126 L216	T122-T124 VanDerWaalsContact C-N 3.27Å; T122-T124 PolarHBondContact O-N 3.45Å; T122-E125 PolarHBondContact O-N 3.49Å; T122-E125 WeakPolarHBondContact OG1-CB 3.3Å; T122-E125 VanDerWaalsContact OG1-CG 3.31Å; T122-E125 WeakPolarHBondContact OG1-CG 3.43Å; T122-E125 PolarHBondContact OG1-N 2.82Å; T122-A126 WeakPolarHBondContact O-CB 3.49Å; T122-A126 PolarHBondContact O-N 3.49Å; T122-L216 HydrophobicContact CG2-CD2 4.33Å
123	E	84.6	Confident	89	Confident	79 Å²	79	50.5 Å²	50.5	37%	0.369	31%	0.305	S	S	.	.	H	α-helix	trans	-56.5	-41.9	175.7	-63.6	-175.4	-134.7	0	0	112.7	A126 L127 R141 V145	E123-A126 PolarHBondContact O-N 2.94Å; E123-L127 WeakPolarHBondContact O-CG 3.41Å; E123-L127 PolarHBondContact O-N 3.13Å; E123-L127 VanDerWaalsContact O-N 3.16Å; E123-R141 HydrophobicContact CB-CG 4.1Å; E123-R141 HydrophobicContact CG-CG 4.05Å; E123-R141 IonicContact OE2-CZ 2.98Å; E123-R141 IonicContact OE2-NE 2.85Å; E123-R141 PolarHBondContact OE2-NE 3.15Å; E123-R141 IonicContact OE2-NH2 3.35Å; E123-R141 PolarHBondContact OE2-NH2 3.12Å; E123-V145 HydrophobicContact CG-CG2 3.96Å
124	T	84.6	Confident	88.9	Confident	113 Å²	113	53.6 Å²	53.6	69%	0.693	30%	0.304	S	S	*	.	H	α-helix	trans	-65.3	-45.6	179.9	-54.9	0	0	0	0	111.1	T122 L127 A128	T122-T124 VanDerWaalsContact C-N 3.27Å; T122-T124 PolarHBondContact O-N 3.45Å; T124-L127 PolarHBondContact O-N 2.82Å; T124-A128 PolarHBondContact O-N 3.23Å; T124-A128 VanDerWaalsContact O-N 3.14Å
125	E	86.4	Confident	88.8	Confident	39 Å²	39	58.7 Å²	58.7	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-38.4	177.1	-70.4	-179.4	151.8	0	0	112.1	K118 P120 S121 T122 L127 A128 S129	K118-E125 WeakPolarHBondContact CE-OE1 3.44Å; K118-E125 IonicContact NZ-OE1 2.8Å; K118-E125 PolarHBondContact NZ-OE1 2.94Å; P120-E125 HydrophobicContact CB-CB 4.1Å; S121-E125 PolarHBondContact N-OE2 3.39Å; S121-E125 VanDerWaalsContact N-OE2 3.1Å; S121-E125 PolarHBondContact OG-OE2 3.02Å; T122-E125 PolarHBondContact O-N 3.49Å; T122-E125 WeakPolarHBondContact OG1-CB 3.3Å; T122-E125 VanDerWaalsContact OG1-CG 3.31Å; T122-E125 WeakPolarHBondContact OG1-CG 3.43Å; T122-E125 PolarHBondContact OG1-N 2.82Å; E125-L127 VanDerWaalsContact C-N 3.3Å; E125-L127 PolarHBondContact O-N 2.82Å; E125-A128 CarbonylContact O-C 3.38Å; E125-A128 PolarHBondContact O-N 2.9Å; E125-A128 VanDerWaalsContact O-N 3.17Å; E125-S129 WeakPolarHBondContact O-CB 3.32Å; E125-S129 PolarHBondContact O-N 2.8Å
126	A	85.8	Confident	88.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-41.4	176.6	0	0	0	0	0	112.1	P120 T122 E123 K137 F140 L144	P120-A126 HydrophobicContact CB-CB 4.43Å; T122-A126 WeakPolarHBondContact O-CB 3.49Å; T122-A126 PolarHBondContact O-N 3.49Å; E123-A126 PolarHBondContact O-N 2.94Å; A126-K137 WeakPolarHBondContact O-CD 3.41Å; A126-K137 WeakPolarHBondContact O-CG 3.41Å; A126-F140 HydrophobicContact CB-CD1 3.89Å; A126-F140 HydrophobicContact CB-CE1 4.31Å; A126-L144 HydrophobicContact CB-CD1 4.08Å
127	L	86.5	Confident	88.5	Confident	85 Å²	85	55.5 Å²	55.5	45%	0.445	30%	0.3	S	S	.	.	H	α-helix	trans	-72.3	-31	177.2	-66.9	176.2	0	0	0	112.8	E123 T124 E125 K137	E123-L127 WeakPolarHBondContact O-CG 3.41Å; E123-L127 PolarHBondContact O-N 3.13Å; E123-L127 VanDerWaalsContact O-N 3.16Å; T124-L127 PolarHBondContact O-N 2.82Å; E125-L127 VanDerWaalsContact C-N 3.3Å; E125-L127 PolarHBondContact O-N 2.82Å; L127-K137 VanDerWaalsContact O-CD 3.29Å; L127-K137 WeakPolarHBondContact O-CD 3.42Å; L127-K137 PolarHBondContact O-NZ 3.23Å
128	A	88.9	Confident	88.4	Confident	70 Å²	70	59.3 Å²	59.3	58%	0.579	31%	0.314	S	S	*	.	H	α-helix	trans	-82.1	-24.3	177.9	0	0	0	0	0	113.8	T124 E125	T124-A128 PolarHBondContact O-N 3.23Å; T124-A128 VanDerWaalsContact O-N 3.14Å; E125-A128 CarbonylContact O-C 3.38Å; E125-A128 PolarHBondContact O-N 2.9Å; E125-A128 VanDerWaalsContact O-N 3.17Å
129	S	89	Confident	88.5	Confident	13 Å²	13	58.2 Å²	58.2	9%	0.091	31%	0.307	C	S	.	.			trans	-62.3	137.8	-169.1	178.5	0	0	0	0	114.2	E125 L131 K137	E125-S129 WeakPolarHBondContact O-CB 3.32Å; E125-S129 PolarHBondContact O-N 2.8Å; S129-L131 VanDerWaalsContact C-N 3.31Å; S129-L131 WeakPolarHBondContact OG-CB 3.44Å; S129-L131 PolarHBondContact OG-N 3.42Å; S129-K137 WeakPolarHBondContact O-CE 3.47Å; S129-K137 PolarHBondContact O-NZ 3.22Å
130	N	89.8	Confident	88.6	Confident	131 Å²	131	58.1 Å²	58.1	70%	0.701	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	4.7	175.1	-67.1	-35.1	0	0	0	113.9	Y117 M132	Y117-N130 HydrophobicContact CD1-CB 3.98Å; Y117-N130 HydrophobicContact CE1-CB 3.9Å; N130-M132 VanDerWaalsContact C-N 3.3Å; N130-M132 PolarHBondContact O-N 2.64Å
131	L	88.7	Confident	89	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.031	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.4	178.4	-77.8	169.1	0	0	0	113.8	V110 K112 Y117 P120 S129 F184	V110-L131 HydrophobicContact CG1-CD1 3.65Å; V110-L131 HydrophobicContact CG1-CD2 4.04Å; V110-L131 HydrophobicContact CG1-CG 4.47Å; K112-L131 HydrophobicContact CB-CD2 3.95Å; K112-L131 HydrophobicContact CD-CD2 3.87Å; K112-L131 PolarHBondContact NZ-O 3Å; Y117-L131 HydrophobicContact CD1-CD2 4.35Å; Y117-L131 HydrophobicContact CD1-CG 4.41Å; Y117-L131 HydrophobicContact CD2-CD2 3.43Å; Y117-L131 VanDerWaalsContact CD2-CD2 3.43Å; Y117-L131 HydrophobicContact CD2-CG 4.29Å; Y117-L131 HydrophobicContact CE2-CD2 4.23Å; Y117-L131 HydrophobicContact CG-CD2 3.51Å; Y117-L131 HydrophobicContact CG-CG 3.85Å; P120-L131 HydrophobicContact CG-CD1 4.28Å; S129-L131 VanDerWaalsContact C-N 3.31Å; S129-L131 WeakPolarHBondContact OG-CB 3.44Å; S129-L131 PolarHBondContact OG-N 3.42Å; L131-F184 HydrophobicContact CB-CE1 4.4Å; L131-F184 HydrophobicContact CD1-CD1 4.23Å; L131-F184 HydrophobicContact CD1-CE1 4.41Å; L131-F184 HydrophobicContact CD1-CG 4.38Å
132	M	90.8	Very high	89.8	Confident	11 Å²	11	69.1 Å²	69.1	5%	0.054	35%	0.351	C	S	.	.	S	Bend	trans	-129.4	149	-167.2	-71.3	168.7	-80.4	0	0	111.8	P120 N130 E136 K137 F140 V181 F184	P120-M132 HydrophobicContact CG-CE 3.94Å; N130-M132 VanDerWaalsContact C-N 3.3Å; N130-M132 PolarHBondContact O-N 2.64Å; M132-E136 HydrophobicContact CB-CB 4.22Å; M132-E136 HydrophobicContact CB-CG 4.25Å; M132-E136 HydrophobicContact CG-CG 4.08Å; M132-E136 HydrophobicContact SD-CG 4.35Å; M132-K137 HydrophobicContact CB-CG 3.65Å; M132-K137 WeakPolarHBondContact O-CE 3.25Å; M132-F140 HydrophobicContact CE-CB 4.38Å; M132-F140 HydrophobicContact CE-CD1 3.63Å; M132-F140 HydrophobicContact CE-CE1 4.23Å; M132-F140 HydrophobicContact CE-CG 4.14Å; M132-F140 HydrophobicContact SD-CB 3.57Å; M132-F140 VanDerWaalsContact SD-CB 3.57Å; M132-F140 HydrophobicContact SD-CD1 3.87Å; M132-F140 HydrophobicContact SD-CG 3.73Å; M132-V181 HydrophobicContact CG-CG2 3.75Å; M132-V181 HydrophobicContact SD-CG2 3.89Å; M132-F184 HydrophobicContact CE-CE1 4.17Å; M132-F184 HydrophobicContact CE-CZ 3.72Å; M132-F184 HydrophobicContact CG-CE1 4.09Å; M132-F184 HydrophobicContact CG-CZ 4.46Å; M132-F184 HydrophobicContact SD-CE1 4.02Å; M132-F184 HydrophobicContact SD-CZ 3.8Å
133	G	90	Very high	90.6	Very high	46 Å²	46	66.3 Å²	66.3	47%	0.474	33%	0.334	S	S	.	.			trans	-67.5	160	168.4	0	0	0	0	0	112.2	F135 E136 K137	G133-F135 VanDerWaalsContact C-N 3.32Å; G133-F135 PolarHBondContact O-N 2.99Å; G133-E136 PolarHBondContact O-N 3.23Å; G133-E136 VanDerWaalsContact O-N 3.08Å; G133-K137 WeakPolarHBondContact O-CG 3.21Å; G133-K137 PolarHBondContact O-N 3.48Å
134	M	87.9	Confident	91.1	Very high	130 Å²	130	63.1 Å²	63.1	64%	0.64	32%	0.319	S	S	*	.	H	α-helix	trans	-54.2	-41.3	-172.7	-173.9	-177.5	-68.3	0	0	114.4
135	F	90.6	Very high	91.6	Very high	150 Å²	150	59.6 Å²	59.6	66%	0.658	30%	0.297	S	S	*	.	H	α-helix	trans	-71.6	-40.3	178.9	-68.9	-77.9	0	0	0	112.1	G133 R138 R139	G133-F135 VanDerWaalsContact C-N 3.32Å; G133-F135 PolarHBondContact O-N 2.99Å; F135-R138 WeakPolarHBondContact O-CB 3.01Å; F135-R138 PolarHBondContact O-N 2.99Å; F135-R139 PolarHBondContact O-N 3.49Å
136	E	92.6	Very high	92	Very high	33 Å²	33	57.8 Å²	57.8	15%	0.154	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-38.9	179.8	-170.6	166.9	-124.9	0	0	111.8	M132 G133 R138 R139 F140 G178 V181	M132-E136 HydrophobicContact CB-CB 4.22Å; M132-E136 HydrophobicContact CB-CG 4.25Å; M132-E136 HydrophobicContact CG-CG 4.08Å; M132-E136 HydrophobicContact SD-CG 4.35Å; G133-E136 PolarHBondContact O-N 3.23Å; G133-E136 VanDerWaalsContact O-N 3.08Å; E136-R138 PolarHBondContact O-N 3.44Å; E136-R139 PolarHBondContact O-N 2.84Å; E136-F140 WeakPolarHBondContact O-CB 3.17Å; E136-F140 PolarHBondContact O-N 3.15Å; E136-G178 PolarHBondContact OE1-N 2.95Å; E136-V181 HydrophobicContact CG-CG2 3.61Å; E136-V181 VanDerWaalsContact OE1-CG2 3.32Å; E136-V181 WeakPolarHBondContact OE1-CG2 3.46Å
137	K	93.2	Very high	92.5	Very high	33 Å²	33	58 Å²	58	14%	0.143	29%	0.29	C	S	.	.	H	α-helix	trans	-54.4	-40	172	-66.7	-173.6	-155.7	-162.5	0	112.8	A126 L127 S129 M132 G133 R141	A126-K137 WeakPolarHBondContact O-CD 3.41Å; A126-K137 WeakPolarHBondContact O-CG 3.41Å; L127-K137 VanDerWaalsContact O-CD 3.29Å; L127-K137 WeakPolarHBondContact O-CD 3.42Å; L127-K137 PolarHBondContact O-NZ 3.23Å; S129-K137 WeakPolarHBondContact O-CE 3.47Å; S129-K137 PolarHBondContact O-NZ 3.22Å; M132-K137 HydrophobicContact CB-CG 3.65Å; M132-K137 WeakPolarHBondContact O-CE 3.25Å; G133-K137 WeakPolarHBondContact O-CG 3.21Å; G133-K137 PolarHBondContact O-N 3.48Å; K137-R141 WeakPolarHBondContact O-CB 3.44Å; K137-R141 PolarHBondContact O-N 3.27Å
138	R	93.4	Very high	92.8	Very high	141 Å²	141	57.5 Å²	57.5	53%	0.532	30%	0.298	S	S	.	.	H	α-helix	trans	-69.4	-36.7	179.3	-66.3	178.3	-178.9	173	1.6	111.7	F135 E136 K142	F135-R138 WeakPolarHBondContact O-CB 3.01Å; F135-R138 PolarHBondContact O-N 2.99Å; E136-R138 PolarHBondContact O-N 3.44Å; R138-K142 WeakPolarHBondContact O-CG 3.24Å; R138-K142 PolarHBondContact O-N 3.25Å
139	R	96	Very high	93.2	Very high	74 Å²	74	58.9 Å²	58.9	28%	0.279	30%	0.296	S	S	.	.	H	α-helix	trans	-69.5	-45.6	175.3	-66.4	-171.2	-59.3	-119.2	-5.4	111.2	F135 E136 R141 K142 F143 F175 D176 L177	F135-R139 PolarHBondContact O-N 3.49Å; E136-R139 PolarHBondContact O-N 2.84Å; R139-R141 VanDerWaalsContact C-N 3.34Å; R139-R141 PolarHBondContact O-N 3.3Å; R139-K142 WeakPolarHBondContact O-CB 3.33Å; R139-K142 PolarHBondContact O-N 3.3Å; R139-F143 PolarHBondContact O-N 2.9Å; R139-F175 WeakPolarHBondContact CB-O 3.34Å; R139-F175 WeakPolarHBondContact CD-O 3.46Å; R139-D176 WeakPolarHBondContact CD-O 3.46Å; R139-D176 WeakPolarHBondContact CD-OD2 3.27Å; R139-D176 VanDerWaalsContact CZ-O 3.26Å; R139-D176 IonicContact CZ-OD2 3.45Å; R139-D176 PolarHBondContact NE-O 2.98Å; R139-D176 IonicContact NE-OD2 3.19Å; R139-D176 PolarHBondContact NE-OD2 2.89Å; R139-D176 IonicContact NH1-OD2 3.83Å; R139-D176 PolarHBondContact NH1-OD2 3.18Å; R139-L177 HydrophobicContact CB-CD2 3.84Å
140	F	96.2	Very high	93.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-40.4	176.5	-173.5	-112	0	0	0	112.3	P120 A126 M132 E136 K142 F143 L144 L177 V181 F184 T185 L189	P120-F140 HydrophobicContact CB-CE1 4.48Å; P120-F140 HydrophobicContact CG-CE1 4.04Å; A126-F140 HydrophobicContact CB-CD1 3.89Å; A126-F140 HydrophobicContact CB-CE1 4.31Å; M132-F140 HydrophobicContact CE-CB 4.38Å; M132-F140 HydrophobicContact CE-CD1 3.63Å; M132-F140 HydrophobicContact CE-CE1 4.23Å; M132-F140 HydrophobicContact CE-CG 4.14Å; M132-F140 HydrophobicContact SD-CB 3.57Å; M132-F140 VanDerWaalsContact SD-CB 3.57Å; M132-F140 HydrophobicContact SD-CD1 3.87Å; M132-F140 HydrophobicContact SD-CG 3.73Å; E136-F140 WeakPolarHBondContact O-CB 3.17Å; E136-F140 PolarHBondContact O-N 3.15Å; F140-K142 VanDerWaalsContact C-N 3.33Å; F140-K142 PolarHBondContact O-N 3.31Å; F140-F143 HydrophobicContact CD2-CD1 4Å; F140-F143 AromaticContact CE2-CD1 3.78Å; F140-F143 HydrophobicContact CE2-CD1 3.78Å; F140-F143 HydrophobicContact CE2-CE1 4.18Å; F140-F143 WeakPolarHBondContact O-CB 3.35Å; F140-F143 PolarHBondContact O-N 2.67Å; F140-F143 VanDerWaalsContact O-N 3.16Å; F140-L144 HydrophobicContact CD1-CD1 4.15Å; F140-L144 HydrophobicContact CD1-CG 4.34Å; F140-L144 HydrophobicContact CE1-CD1 3.64Å; F140-L144 HydrophobicContact CE1-CD2 4.21Å; F140-L144 HydrophobicContact CE1-CG 3.9Å; F140-L144 HydrophobicContact CE2-CD2 4.38Å; F140-L144 HydrophobicContact CE2-CG 4.5Å; F140-L144 HydrophobicContact CZ-CD1 4.13Å; F140-L144 HydrophobicContact CZ-CD2 3.83Å; F140-L144 HydrophobicContact CZ-CG 3.97Å; F140-L144 PolarHBondContact O-N 3.04Å; F140-L177 HydrophobicContact CB-CD2 4.24Å; F140-L177 HydrophobicContact CD2-CD1 4.22Å; F140-V181 HydrophobicContact CD2-CG1 3.47Å; F140-V181 VanDerWaalsContact CD2-CG1 3.47Å; F140-V181 HydrophobicContact CE2-CG1 3.95Å; F140-V181 HydrophobicContact CG-CG1 4.23Å; F140-F184 HydrophobicContact CD1-CZ 4.25Å; F140-F184 HydrophobicContact CD2-CZ 4.22Å; F140-F184 AromaticContact CE1-CE2 3.86Å; F140-F184 HydrophobicContact CE1-CE2 3.86Å; F140-F184 AromaticContact CE1-CZ 3.96Å; F140-F184 HydrophobicContact CE1-CZ 3.96Å; F140-F184 AromaticContact CE2-CE2 3.86Å; F140-F184 HydrophobicContact CE2-CE2 3.86Å; F140-F184 AromaticContact CE2-CZ 3.95Å; F140-F184 HydrophobicContact CE2-CZ 3.95Å; F140-F184 HydrophobicContact CG-CZ 4.38Å; F140-F184 AromaticContact CZ-CE2 3.46Å; F140-F184 HydrophobicContact CZ-CE2 3.46Å; F140-F184 VanDerWaalsContact CZ-CE2 3.46Å; F140-F184 AromaticContact CZ-CZ 3.81Å; F140-F184 HydrophobicContact CZ-CZ 3.81Å; F140-T185 HydrophobicContact CE2-CG2 4.46Å; F140-T185 VanDerWaalsContact CE2-OG1 3.32Å; F140-T185 WeakPolarHBondContact CE2-OG1 3.36Å; F140-L189 HydrophobicContact CZ-CD1 3.85Å
141	R	95	Very high	93.8	Very high	100 Å²	100	55.7 Å²	55.7	38%	0.377	28%	0.278	S	S	.	.	H	α-helix	trans	-55.6	-46.7	170.3	178.9	-175.4	171.6	-116.5	-2.8	111.9	E123 K137 R139 F143 L144 V145	E123-R141 HydrophobicContact CB-CG 4.1Å; E123-R141 HydrophobicContact CG-CG 4.05Å; E123-R141 IonicContact OE2-CZ 2.98Å; E123-R141 IonicContact OE2-NE 2.85Å; E123-R141 PolarHBondContact OE2-NE 3.15Å; E123-R141 IonicContact OE2-NH2 3.35Å; E123-R141 PolarHBondContact OE2-NH2 3.12Å; K137-R141 WeakPolarHBondContact O-CB 3.44Å; K137-R141 PolarHBondContact O-N 3.27Å; R139-R141 VanDerWaalsContact C-N 3.34Å; R139-R141 PolarHBondContact O-N 3.3Å; R141-F143 VanDerWaalsContact C-N 3.29Å; R141-F143 PolarHBondContact O-N 2.7Å; R141-L144 PolarHBondContact O-N 3.15Å; R141-V145 WeakPolarHBondContact O-CG2 3.48Å; R141-V145 PolarHBondContact O-N 3.2Å
142	K	95.7	Very high	94.1	Very high	138 Å²	138	59.8 Å²	59.8	60%	0.6	30%	0.297	S	S	*	.	H	α-helix	trans	-61.7	-39.2	178	-72.1	179	178.4	-173.4	0	111.8	R138 R139 F140 V145 F146 F175	R138-K142 WeakPolarHBondContact O-CG 3.24Å; R138-K142 PolarHBondContact O-N 3.25Å; R139-K142 WeakPolarHBondContact O-CB 3.33Å; R139-K142 PolarHBondContact O-N 3.3Å; F140-K142 VanDerWaalsContact C-N 3.33Å; F140-K142 PolarHBondContact O-N 3.31Å; K142-V145 PolarHBondContact O-N 3.05Å; K142-F146 PolarHBondContact O-N 3.43Å; K142-F175 HydrophobicContact CB-CD1 4.27Å; K142-F175 HydrophobicContact CB-CE1 4.32Å
143	F	96.8	Very high	94.3	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61	-46.5	173.7	168.4	-102.9	0	0	0	112	R139 F140 R141 V145 F146 V147 M168 V171 Y172 F175 L177 T185 I209	R139-F143 PolarHBondContact O-N 2.9Å; F140-F143 HydrophobicContact CD2-CD1 4Å; F140-F143 AromaticContact CE2-CD1 3.78Å; F140-F143 HydrophobicContact CE2-CD1 3.78Å; F140-F143 HydrophobicContact CE2-CE1 4.18Å; F140-F143 WeakPolarHBondContact O-CB 3.35Å; F140-F143 PolarHBondContact O-N 2.67Å; F140-F143 VanDerWaalsContact O-N 3.16Å; R141-F143 VanDerWaalsContact C-N 3.29Å; R141-F143 PolarHBondContact O-N 2.7Å; F143-V145 VanDerWaalsContact C-N 3.3Å; F143-V145 PolarHBondContact O-N 2.88Å; F143-F146 HydrophobicContact CD2-CD1 4.4Å; F143-F146 WeakPolarHBondContact O-CB 3.32Å; F143-F146 PolarHBondContact O-N 2.94Å; F143-F146 VanDerWaalsContact O-N 3.16Å; F143-V147 HydrophobicContact CD1-CG2 4.5Å; F143-V147 HydrophobicContact CD2-CG2 4.26Å; F143-V147 HydrophobicContact CE1-CG2 4.01Å; F143-V147 HydrophobicContact CE2-CG2 3.74Å; F143-V147 HydrophobicContact CZ-CG2 3.61Å; F143-V147 WeakPolarHBondContact O-CG2 3.3Å; F143-V147 PolarHBondContact O-N 2.78Å; F143-M168 HydrophobicContact CE2-CE 3.6Å; F143-M168 HydrophobicContact CZ-CE 3.56Å; F143-V171 HydrophobicContact CD2-CG1 4.44Å; F143-V171 HydrophobicContact CE2-CG1 4.02Å; F143-Y172 HydrophobicContact CE1-CE1 4.42Å; F143-Y172 HydrophobicContact CE2-CD1 4.37Å; F143-Y172 HydrophobicContact CE2-CE1 4.2Å; F143-Y172 HydrophobicContact CZ-CD1 4.49Å; F143-Y172 AromaticContact CZ-CE1 3.9Å; F143-Y172 HydrophobicContact CZ-CE1 3.9Å; F143-F175 HydrophobicContact CB-CB 4.26Å; F143-F175 HydrophobicContact CB-CD1 4.04Å; F143-F175 HydrophobicContact CB-CD2 4.21Å; F143-F175 HydrophobicContact CB-CE1 4.49Å; F143-F175 HydrophobicContact CB-CG 3.91Å; F143-F175 AromaticContact CD2-CD2 3.7Å; F143-F175 HydrophobicContact CD2-CD2 3.7Å; F143-F175 AromaticContact CD2-CE2 3.97Å; F143-F175 HydrophobicContact CD2-CE2 3.97Å; F143-F175 HydrophobicContact CD2-CG 4.24Å; F143-F175 HydrophobicContact CG-CD2 4.44Å; F143-L177 HydrophobicContact CB-CD1 3.94Å; F143-L177 HydrophobicContact CD1-CD1 4.17Å; F143-L177 HydrophobicContact CD2-CD1 4.3Å; F143-L177 HydrophobicContact CG-CD1 3.86Å; F143-T185 HydrophobicContact CE1-CG2 3.76Å; F143-T185 HydrophobicContact CZ-CG2 4.18Å; F143-I209 HydrophobicContact CE1-CD1 4.03Å; F143-I209 HydrophobicContact CZ-CD1 3.68Å
144	L	94.6	Very high	94.5	Very high	12 Å²	12	66.9 Å²	66.9	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-38.1	176.2	-69	-176.7	0	0	0	112.5	A126 F140 R141 V147 A148 I209	A126-L144 HydrophobicContact CB-CD1 4.08Å; F140-L144 HydrophobicContact CD1-CD1 4.15Å; F140-L144 HydrophobicContact CD1-CG 4.34Å; F140-L144 HydrophobicContact CE1-CD1 3.64Å; F140-L144 HydrophobicContact CE1-CD2 4.21Å; F140-L144 HydrophobicContact CE1-CG 3.9Å; F140-L144 HydrophobicContact CE2-CD2 4.38Å; F140-L144 HydrophobicContact CE2-CG 4.5Å; F140-L144 HydrophobicContact CZ-CD1 4.13Å; F140-L144 HydrophobicContact CZ-CD2 3.83Å; F140-L144 HydrophobicContact CZ-CG 3.97Å; F140-L144 PolarHBondContact O-N 3.04Å; R141-L144 PolarHBondContact O-N 3.15Å; L144-V147 PolarHBondContact O-N 2.95Å; L144-A148 WeakPolarHBondContact O-CB 3.45Å; L144-A148 PolarHBondContact O-N 3.03Å; L144-I209 HydrophobicContact CD2-CG2 4.48Å
145	V	94.8	Very high	94.9	Very high	40 Å²	40	65 Å²	65	24%	0.242	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-42.5	174.4	171.8	0	0	0	0	111	E123 R141 K142 F143 A148 N149	E123-V145 HydrophobicContact CG-CG2 3.96Å; R141-V145 WeakPolarHBondContact O-CG2 3.48Å; R141-V145 PolarHBondContact O-N 3.2Å; K142-V145 PolarHBondContact O-N 3.05Å; F143-V145 VanDerWaalsContact C-N 3.3Å; F143-V145 PolarHBondContact O-N 2.88Å; V145-A148 PolarHBondContact O-N 2.87Å; V145-N149 WeakPolarHBondContact CG1-ND2 3.5Å; V145-N149 WeakPolarHBondContact O-CB 3.47Å; V145-N149 PolarHBondContact O-N 3.45Å; V145-N149 PolarHBondContact O-ND2 3.37Å; V145-N149 VanDerWaalsContact O-ND2 3.13Å
146	F	96.4	Very high	95.1	Very high	1 Å²	1	66.4 Å²	66.4	0%	0.004	33%	0.327	C	S	.	.	H	α-helix	trans	-59.1	-49.3	173.6	161.5	-102.4	0	0	0	111.5	K142 F143 A148 N149 F150 F158 E159 V161 V171 F175 I206	K142-F146 PolarHBondContact O-N 3.43Å; F143-F146 HydrophobicContact CD2-CD1 4.4Å; F143-F146 WeakPolarHBondContact O-CB 3.32Å; F143-F146 PolarHBondContact O-N 2.94Å; F143-F146 VanDerWaalsContact O-N 3.16Å; F146-A148 PolarHBondContact O-N 2.97Å; F146-N149 PolarHBondContact O-N 3.09Å; F146-F150 HydrophobicContact CE2-CD2 4.36Å; F146-F150 HydrophobicContact CZ-CD2 4.19Å; F146-F150 PolarHBondContact O-N 2.98Å; F146-F158 WeakPolarHBondContact CE2-O 3.28Å; F146-E159 HydrophobicContact CD2-CB 4.28Å; F146-E159 HydrophobicContact CD2-CG 4.09Å; F146-E159 HydrophobicContact CE2-CB 4.33Å; F146-V161 HydrophobicContact CZ-CG2 4.21Å; F146-V171 HydrophobicContact CE1-CG1 4.04Å; F146-F175 HydrophobicContact CB-CE1 4.08Å; F146-F175 HydrophobicContact CB-CE2 4.21Å; F146-F175 HydrophobicContact CB-CZ 3.44Å; F146-F175 VanDerWaalsContact CB-CZ 3.44Å; F146-F175 AromaticContact CD1-CE2 3.68Å; F146-F175 HydrophobicContact CD1-CE2 3.68Å; F146-F175 AromaticContact CD1-CZ 3.78Å; F146-F175 HydrophobicContact CD1-CZ 3.78Å; F146-F175 HydrophobicContact CD2-CZ 4.16Å; F146-F175 HydrophobicContact CE1-CE2 4.22Å; F146-F175 AromaticContact CG-CE2 3.91Å; F146-F175 HydrophobicContact CG-CE2 3.91Å; F146-F175 AromaticContact CG-CZ 3.51Å; F146-F175 HydrophobicContact CG-CZ 3.51Å; F146-I206 HydrophobicContact CE1-CD1 3.95Å; F146-I206 HydrophobicContact CE1-CG1 4.47Å; F146-I206 HydrophobicContact CZ-CD1 4.1Å
147	V	95.8	Very high	95.3	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.018	33%	0.328	C	S	.	.	H	α-helix	trans	-60.5	-44.9	178.7	171.7	0	0	0	0	111.4	F143 L144 N149 F150 I206 I209 K210	F143-V147 HydrophobicContact CD1-CG2 4.5Å; F143-V147 HydrophobicContact CD2-CG2 4.26Å; F143-V147 HydrophobicContact CE1-CG2 4.01Å; F143-V147 HydrophobicContact CE2-CG2 3.74Å; F143-V147 HydrophobicContact CZ-CG2 3.61Å; F143-V147 WeakPolarHBondContact O-CG2 3.3Å; F143-V147 PolarHBondContact O-N 2.78Å; L144-V147 PolarHBondContact O-N 2.95Å; V147-N149 VanDerWaalsContact C-N 3.34Å; V147-N149 PolarHBondContact O-N 3.13Å; V147-F150 PolarHBondContact O-N 2.85Å; V147-I206 HydrophobicContact CG1-CG2 4.29Å; V147-I209 HydrophobicContact CG1-CB 4Å; V147-I209 HydrophobicContact CG1-CG2 3.79Å; V147-K210 HydrophobicContact CG1-CG 3.67Å; V147-K210 WeakPolarHBondContact O-CE 3.44Å
148	A	93.3	Very high	95.4	Very high	75 Å²	75	65.9 Å²	65.9	62%	0.62	33%	0.327	S	S	*	.	H	α-helix	trans	-64.5	-37.3	-179.9	0	0	0	0	0	112.9	L144 V145 F146	L144-A148 WeakPolarHBondContact O-CB 3.45Å; L144-A148 PolarHBondContact O-N 3.03Å; V145-A148 PolarHBondContact O-N 2.87Å; F146-A148 PolarHBondContact O-N 2.97Å
149	N	95.7	Very high	95.5	Very high	100 Å²	100	64.3 Å²	64.3	54%	0.535	33%	0.325	S	S	.	.	H	α-helix	trans	-86.7	-12.9	-178	-70.2	-33.1	0	0	0	114.3	V145 F146 V147 D151 T157	V145-N149 WeakPolarHBondContact CG1-ND2 3.5Å; V145-N149 WeakPolarHBondContact O-CB 3.47Å; V145-N149 PolarHBondContact O-N 3.45Å; V145-N149 PolarHBondContact O-ND2 3.37Å; V145-N149 VanDerWaalsContact O-ND2 3.13Å; F146-N149 PolarHBondContact O-N 3.09Å; V147-N149 VanDerWaalsContact C-N 3.34Å; V147-N149 PolarHBondContact O-N 3.13Å; N149-D151 PolarHBondContact O-N 3.31Å; N149-T157 VanDerWaalsContact O-CB 3.28Å; N149-T157 WeakPolarHBondContact O-CB 3.43Å; N149-T157 VanDerWaalsContact O-CG2 3.28Å; N149-T157 WeakPolarHBondContact O-CG2 3.1Å
150	F	96.8	Very high	95.2	Very high	5 Å²	5	64.7 Å²	64.7	2%	0.022	35%	0.353	C	S	.	.			trans	-56.8	135.6	179.6	-178.5	-93.3	0	0	0	110.3	F146 V147 E152 F158 P163 L203 I206 K210	F146-F150 HydrophobicContact CE2-CD2 4.36Å; F146-F150 HydrophobicContact CZ-CD2 4.19Å; F146-F150 PolarHBondContact O-N 2.98Å; V147-F150 PolarHBondContact O-N 2.85Å; F150-E152 HydrophobicContact CE1-CG 3.64Å; F150-E152 HydrophobicContact CZ-CG 4.3Å; F150-F158 AromaticContact CD2-CD1 3.8Å; F150-F158 HydrophobicContact CD2-CD1 3.8Å; F150-F158 HydrophobicContact CD2-CE1 4.3Å; F150-F158 AromaticContact CE2-CD1 3.3Å; F150-F158 HydrophobicContact CE2-CD1 3.3Å; F150-F158 AromaticContact CE2-CE1 3.59Å; F150-F158 HydrophobicContact CE2-CE1 3.59Å; F150-F158 HydrophobicContact CE2-CG 4.13Å; F150-F158 AromaticContact CZ-CD1 3.94Å; F150-F158 HydrophobicContact CZ-CD1 3.94Å; F150-F158 AromaticContact CZ-CE1 3.72Å; F150-F158 HydrophobicContact CZ-CE1 3.72Å; F150-P163 HydrophobicContact CE2-CB 4.08Å; F150-P163 HydrophobicContact CE2-CG 4.36Å; F150-P163 HydrophobicContact CZ-CB 3.63Å; F150-P163 HydrophobicContact CZ-CG 3.97Å; F150-L203 HydrophobicContact CE1-CD1 3.7Å; F150-L203 HydrophobicContact CZ-CD1 3.94Å; F150-I206 HydrophobicContact CB-CG2 4.1Å; F150-I206 HydrophobicContact CD1-CG2 3.66Å; F150-I206 HydrophobicContact CD2-CD1 4.24Å; F150-I206 HydrophobicContact CE1-CG2 4.21Å; F150-I206 HydrophobicContact CE2-CD1 4.19Å; F150-I206 HydrophobicContact CG-CG2 3.85Å; F150-I206 HydrophobicContact CZ-CD1 4.5Å; F150-K210 WeakPolarHBondContact O-CE 3.11Å; F150-K210 PolarHBondContact O-NZ 3.45Å
151	D	95.9	Very high	95.2	Very high	71 Å²	71	65.2 Å²	65.2	38%	0.38	36%	0.356	S	S	.	.			trans	-140.7	116.6	173.4	-179.9	-9.2	0	0	0	108	N149 N153 D154 T157 F158	N149-D151 PolarHBondContact O-N 3.31Å; D151-N153 PolarHBondContact O-N 3.24Å; D151-N153 PolarHBondContact OD1-N 2.84Å; D151-N153 PolarHBondContact OD1-ND2 3.17Å; D151-D154 HydrophobicContact CB-CB 4.26Å; D151-D154 CarbonylContact O-C 3.57Å; D151-D154 PolarHBondContact O-N 3.46Å; D151-T157 HydrophobicContact CB-CG2 4.12Å; D151-T157 PolarHBondContact N-OG1 3.49Å; D151-T157 PolarHBondContact O-OG1 3.27Å; D151-F158 WeakPolarHBondContact O-CE1 3.28Å
152	E	93.8	Very high	95.2	Very high	92 Å²	92	64.2 Å²	64.2	43%	0.43	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-24.1	-179.2	-67	-174.7	-135.3	0	0	113.4	F150 L203 N207	F150-E152 HydrophobicContact CE1-CG 3.64Å; F150-E152 HydrophobicContact CZ-CG 4.3Å; E152-L203 HydrophobicContact CG-CD1 3.72Å; E152-N207 PolarHBondContact OE1-ND2 2.92Å
153	N	95.1	Very high	95.2	Very high	147 Å²	147	58.1 Å²	58.1	79%	0.786	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-8.4	-179	-54.8	-66.5	0	0	0	113.7	D151	D151-N153 PolarHBondContact O-N 3.24Å; D151-N153 PolarHBondContact OD1-N 2.84Å; D151-N153 PolarHBondContact OD1-ND2 3.17Å
154	D	95.6	Very high	95.2	Very high	59 Å²	59	65.6 Å²	65.6	32%	0.316	37%	0.365	S	S	.	.			trans	-122	97.4	176.2	-175.1	3.6	0	0	0	111.5	D151 K156 T157	D151-D154 HydrophobicContact CB-CB 4.26Å; D151-D154 CarbonylContact O-C 3.57Å; D151-D154 PolarHBondContact O-N 3.46Å; D154-K156 PolarHBondContact O-N 3.37Å; D154-K156 VanDerWaalsContact OD1-CB 3.28Å; D154-K156 WeakPolarHBondContact OD1-CB 3.45Å; D154-K156 WeakPolarHBondContact OD1-CG 3.1Å; D154-K156 PolarHBondContact OD1-N 3.41Å; D154-T157 HydrophobicContact CB-CG2 3.97Å; D154-T157 WeakPolarHBondContact O-CB 3.4Å; D154-T157 PolarHBondContact O-N 3.27Å; D154-T157 PolarHBondContact O-OG1 2.85Å
155	P	94.9	Very high	95.3	Very high	91 Å²	91	70 Å²	70	59%	0.591	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-56.8	-18.8	178.4	-26.6	35.1	0	0	0	115.2	T157 F158	P155-T157 PolarHBondContact O-N 3.21Å; P155-F158 HydrophobicContact CB-CD2 4.17Å; P155-F158 HydrophobicContact CB-CE2 4.09Å; P155-F158 HydrophobicContact CG-CE2 4.37Å; P155-F158 WeakPolarHBondContact O-CB 3.43Å; P155-F158 PolarHBondContact O-N 3Å
156	K	95.1	Very high	95.5	Very high	179 Å²	179	69.6 Å²	69.6	78%	0.778	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-65.3	-29.1	175.8	-64.6	174	-177.9	169.4	0	112	D154 F158	D154-K156 PolarHBondContact O-N 3.37Å; D154-K156 VanDerWaalsContact OD1-CB 3.28Å; D154-K156 WeakPolarHBondContact OD1-CB 3.45Å; D154-K156 WeakPolarHBondContact OD1-CG 3.1Å; D154-K156 PolarHBondContact OD1-N 3.41Å; K156-F158 VanDerWaalsContact C-N 3.27Å; K156-F158 PolarHBondContact O-N 3.1Å
157	T	96.6	Very high	95.6	Very high	27 Å²	27	70.9 Å²	70.9	17%	0.166	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-76	-15.2	-179.7	69.4	0	0	0	0	113	N149 D151 D154 P155 E159	N149-T157 VanDerWaalsContact O-CB 3.28Å; N149-T157 WeakPolarHBondContact O-CB 3.43Å; N149-T157 VanDerWaalsContact O-CG2 3.28Å; N149-T157 WeakPolarHBondContact O-CG2 3.1Å; D151-T157 HydrophobicContact CB-CG2 4.12Å; D151-T157 PolarHBondContact N-OG1 3.49Å; D151-T157 PolarHBondContact O-OG1 3.27Å; D154-T157 HydrophobicContact CB-CG2 3.97Å; D154-T157 WeakPolarHBondContact O-CB 3.4Å; D154-T157 PolarHBondContact O-N 3.27Å; D154-T157 PolarHBondContact O-OG1 2.85Å; P155-T157 PolarHBondContact O-N 3.21Å; T157-E159 PolarHBondContact O-N 3.13Å
158	F	96.4	Very high	95.7	Very high	29 Å²	29	70.7 Å²	70.7	13%	0.127	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-72.8	-15.8	-177.1	-58.7	-10.7	0	0	0	113	F146 F150 D151 P155 K156 G160 V161 P163	F146-F158 WeakPolarHBondContact CE2-O 3.28Å; F150-F158 AromaticContact CD2-CD1 3.8Å; F150-F158 HydrophobicContact CD2-CD1 3.8Å; F150-F158 HydrophobicContact CD2-CE1 4.3Å; F150-F158 AromaticContact CE2-CD1 3.3Å; F150-F158 HydrophobicContact CE2-CD1 3.3Å; F150-F158 AromaticContact CE2-CE1 3.59Å; F150-F158 HydrophobicContact CE2-CE1 3.59Å; F150-F158 HydrophobicContact CE2-CG 4.13Å; F150-F158 AromaticContact CZ-CD1 3.94Å; F150-F158 HydrophobicContact CZ-CD1 3.94Å; F150-F158 AromaticContact CZ-CE1 3.72Å; F150-F158 HydrophobicContact CZ-CE1 3.72Å; D151-F158 WeakPolarHBondContact O-CE1 3.28Å; P155-F158 HydrophobicContact CB-CD2 4.17Å; P155-F158 HydrophobicContact CB-CE2 4.09Å; P155-F158 HydrophobicContact CG-CE2 4.37Å; P155-F158 WeakPolarHBondContact O-CB 3.43Å; P155-F158 PolarHBondContact O-N 3Å; K156-F158 VanDerWaalsContact C-N 3.27Å; K156-F158 PolarHBondContact O-N 3.1Å; F158-G160 PolarHBondContact O-N 3.47Å; F158-G160 VanDerWaalsContact O-N 3.09Å; F158-V161 VanDerWaalsContact CB-O 3.24Å; F158-V161 WeakPolarHBondContact CB-O 2.86Å; F158-V161 WeakPolarHBondContact O-CB 3.38Å; F158-V161 PolarHBondContact O-N 2.89Å; F158-P163 HydrophobicContact CD2-CG 4.27Å; F158-P163 HydrophobicContact CE1-CG 4.31Å; F158-P163 HydrophobicContact CE2-CG 3.87Å; F158-P163 HydrophobicContact CZ-CG 3.91Å
159	E	94.2	Very high	95.9	Very high	107 Å²	107	72 Å²	72	50%	0.5	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	34.6	-177.9	-62.1	-169.2	173.7	0	0	113.2	F146 T157 K174	F146-E159 HydrophobicContact CD2-CB 4.28Å; F146-E159 HydrophobicContact CD2-CG 4.09Å; F146-E159 HydrophobicContact CE2-CB 4.33Å; T157-E159 PolarHBondContact O-N 3.13Å; E159-K174 PolarHBondContact O-NZ 3.32Å; E159-K174 IonicContact OE2-NZ 3.02Å
160	G	90.8	Very high	96.1	Very high	83 Å²	83	71 Å²	71	86%	0.856	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	13.2	-179.4	0	0	0	0	0	115.5	F158	F158-G160 PolarHBondContact O-N 3.47Å; F158-G160 VanDerWaalsContact O-N 3.09Å
161	V	95.3	Very high	96.2	Very high	10 Å²	10	70.8 Å²	70.8	6%	0.061	38%	0.379	C	S	.	.			trans	-88.8	140.7	165.5	178	0	0	0	0	108.9	F146 F158 T166 V171 K174	F146-V161 HydrophobicContact CZ-CG2 4.21Å; F158-V161 VanDerWaalsContact CB-O 3.24Å; F158-V161 WeakPolarHBondContact CB-O 2.86Å; F158-V161 WeakPolarHBondContact O-CB 3.38Å; F158-V161 PolarHBondContact O-N 2.89Å; V161-T166 HydrophobicContact CG1-CG2 3.91Å; V161-V171 HydrophobicContact CG1-CG2 3.92Å; V161-V171 HydrophobicContact CG2-CG2 4.28Å; V161-K174 HydrophobicContact CG2-CD 4.05Å
162	D	96.3	Very high	96.3	Very high	80 Å²	80	67.4 Å²	67.4	43%	0.428	36%	0.361	S	S	.	.			trans	-96.4	110.4	162.8	-176.7	-26.2	0	0	0	108.5	K164 V165 T166	D162-K164 PolarHBondContact O-N 3.49Å; D162-K164 VanDerWaalsContact O-N 3.15Å; D162-K164 PolarHBondContact OD1-N 3.03Å; D162-V165 HydrophobicContact CB-CB 4.16Å; D162-V165 PolarHBondContact O-N 2.54Å; D162-T166 PolarHBondContact N-OG1 3Å; D162-T166 WeakPolarHBondContact O-CB 3.5Å; D162-T166 PolarHBondContact O-N 3.18Å; D162-T166 PolarHBondContact O-OG1 2.56Å
163	P	95.5	Very high	96.5	Very high	9 Å²	9	70.8 Å²	70.8	6%	0.058	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20	-172.8	25.8	-34.5	0	0	0	114.5	F150 F158 L203	F150-P163 HydrophobicContact CE2-CB 4.08Å; F150-P163 HydrophobicContact CE2-CG 4.36Å; F150-P163 HydrophobicContact CZ-CB 3.63Å; F150-P163 HydrophobicContact CZ-CG 3.97Å; F158-P163 HydrophobicContact CD2-CG 4.27Å; F158-P163 HydrophobicContact CE1-CG 4.31Å; F158-P163 HydrophobicContact CE2-CG 3.87Å; F158-P163 HydrophobicContact CZ-CG 3.91Å; P163-L203 HydrophobicContact CB-CB 4.1Å; P163-L203 HydrophobicContact CB-CD1 4.17Å; P163-L203 VanDerWaalsContact O-CB 3.32Å; P163-L203 WeakPolarHBondContact O-CB 3.44Å; P163-L203 PolarHBondContact O-N 3.47Å
164	K	96.3	Very high	96.6	Very high	157 Å²	157	68.1 Å²	68.1	68%	0.683	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-8.7	-178.8	-64.2	-175.9	-179.4	-179.7	0	113.3	D162 P201	D162-K164 PolarHBondContact O-N 3.49Å; D162-K164 VanDerWaalsContact O-N 3.15Å; D162-K164 PolarHBondContact OD1-N 3.03Å; K164-P201 WeakPolarHBondContact O-CG 3.47Å
165	V	96.9	Very high	96.7	Very high	104 Å²	104	66.3 Å²	66.3	63%	0.63	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	-40.8	-173.7	-179	0	0	0	0	112.2	D162 T167	D162-V165 HydrophobicContact CB-CB 4.16Å; D162-V165 PolarHBondContact O-N 2.54Å; V165-T167 PolarHBondContact O-N 3.3Å
166	T	98.3	Very high	96.8	Very high	32 Å²	32	66.7 Å²	66.7	20%	0.196	34%	0.343	C	S	.	.	S	Bend	trans	-71.5	129.5	-175.6	-49	0	0	0	0	109.5	V161 D162 D170 V171 P201 C202	V161-T166 HydrophobicContact CG1-CG2 3.91Å; D162-T166 PolarHBondContact N-OG1 3Å; D162-T166 WeakPolarHBondContact O-CB 3.5Å; D162-T166 PolarHBondContact O-N 3.18Å; D162-T166 PolarHBondContact O-OG1 2.56Å; T166-D170 HydrophobicContact CG2-CB 3.78Å; T166-V171 HydrophobicContact CG2-CG2 4.18Å; T166-P201 WeakPolarHBondContact O-CA 3.36Å; T166-C202 PolarHBondContact O-N 2.81Å
167	T	98.6	Very high	96.8	Very high	28 Å²	28	58.8 Å²	58.8	17%	0.172	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-74.9	156.6	-179.9	67.4	0	0	0	0	111.2	V165 R169 D170 V171 L198 V200	V165-T167 PolarHBondContact O-N 3.3Å; T167-R169 PolarHBondContact O-N 2.85Å; T167-D170 PolarHBondContact O-N 3.34Å; T167-D170 VanDerWaalsContact O-N 3.16Å; T167-D170 PolarHBondContact OG1-N 2.63Å; T167-D170 PolarHBondContact OG1-OD2 3.01Å; T167-V171 PolarHBondContact O-N 3.45Å; T167-V171 VanDerWaalsContact O-N 3.14Å; T167-L198 WeakPolarHBondContact CB-O 3.37Å; T167-V200 VanDerWaalsContact CA-O 3.31Å; T167-V200 WeakPolarHBondContact CA-O 3.44Å
168	M	98.6	Very high	96.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-31.3	175.6	-165	63.6	-163.1	0	0	112.1	F143 D170 V171 Y172 Y197 L198 V200 C202 T205 I209	F143-M168 HydrophobicContact CE2-CE 3.6Å; F143-M168 HydrophobicContact CZ-CE 3.56Å; M168-D170 VanDerWaalsContact C-N 3.33Å; M168-D170 PolarHBondContact O-N 3.42Å; M168-V171 HydrophobicContact CE-CB 4.36Å; M168-V171 HydrophobicContact CE-CG1 4.06Å; M168-V171 WeakPolarHBondContact O-CB 3.33Å; M168-V171 PolarHBondContact O-N 2.85Å; M168-V171 HydrophobicContact SD-CB 4.12Å; M168-V171 HydrophobicContact SD-CG1 4.32Å; M168-V171 HydrophobicContact SD-CG2 4.48Å; M168-Y172 HydrophobicContact CE-CD1 3.86Å; M168-Y172 HydrophobicContact CE-CE1 3.32Å; M168-Y172 HydrophobicContact CE-CE2 4.15Å; M168-Y172 HydrophobicContact CE-CG 4.49Å; M168-Y172 HydrophobicContact CG-CD2 4.11Å; M168-Y172 HydrophobicContact CG-CE2 3.64Å; M168-Y172 VanDerWaalsContact O-CD2 3.3Å; M168-Y172 WeakPolarHBondContact O-CD2 3.44Å; M168-Y172 PolarHBondContact O-N 3.42Å; M168-Y197 HydrophobicContact CB-CD2 4.08Å; M168-Y197 HydrophobicContact CB-CE2 4.28Å; M168-Y197 HydrophobicContact CG-CD2 4.01Å; M168-Y197 HydrophobicContact CG-CE2 3.83Å; M168-L198 PolarHBondContact N-O 3.16Å; M168-V200 PolarHBondContact N-O 2.63Å; M168-C202 HydrophobicContact CB-CB 4.37Å; M168-C202 HydrophobicContact SD-CB 3.75Å; M168-T205 HydrophobicContact CE-CG2 3.92Å; M168-T205 HydrophobicContact CG-CG2 3.73Å; M168-T205 HydrophobicContact SD-CG2 3.67Å; M168-I209 HydrophobicContact CE-CD1 4.33Å
169	R	98.4	Very high	96.6	Very high	101 Å²	101	62 Å²	62	38%	0.381	33%	0.33	S	S	.	.	H	α-helix	trans	-57.2	-44.6	171.9	-171.7	-176.5	-57.3	-75	2	112.1	T167 Y172 K173 L198 D199	T167-R169 PolarHBondContact O-N 2.85Å; R169-Y172 PolarHBondContact O-N 3.2Å; R169-K173 WeakPolarHBondContact O-CB 3.36Å; R169-K173 PolarHBondContact O-N 3.28Å; R169-L198 HydrophobicContact CB-CB 4.32Å; R169-L198 VanDerWaalsContact CB-O 3.23Å; R169-L198 WeakPolarHBondContact CB-O 3.28Å; R169-L198 PolarHBondContact N-O 3.34Å; R169-D199 IonicContact CZ-OD1 2.76Å; R169-D199 IonicContact CZ-OD2 3.58Å; R169-D199 IonicContact NE-OD1 2.88Å; R169-D199 PolarHBondContact NE-OD1 2.75Å; R169-D199 IonicContact NE-OD2 3.3Å; R169-D199 IonicContact NH2-OD1 3.3Å; R169-D199 PolarHBondContact NH2-OD1 3.33Å; R169-D199 IonicContact NH2-OD2 3.21Å; R169-D199 PolarHBondContact NH2-OD2 3.02Å
170	D	98.4	Very high	96.4	Very high	80 Å²	80	60 Å²	60	43%	0.428	32%	0.322	S	S	.	.	H	α-helix	trans	-69.2	-34.4	178.3	-74.3	-35.5	0	0	0	112.2	T166 T167 M168 K173 K174	T166-D170 HydrophobicContact CG2-CB 3.78Å; T167-D170 PolarHBondContact O-N 3.34Å; T167-D170 VanDerWaalsContact O-N 3.16Å; T167-D170 PolarHBondContact OG1-N 2.63Å; T167-D170 PolarHBondContact OG1-OD2 3.01Å; M168-D170 VanDerWaalsContact C-N 3.33Å; M168-D170 PolarHBondContact O-N 3.42Å; D170-K173 PolarHBondContact O-N 2.83Å; D170-K174 WeakPolarHBondContact O-CB 3.4Å; D170-K174 PolarHBondContact O-N 3.29Å
171	V	98.4	Very high	96.6	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-48.6	170.9	177	0	0	0	0	110.6	F143 F146 V161 T166 T167 M168 K173 K174 F175 C202	F143-V171 HydrophobicContact CD2-CG1 4.44Å; F143-V171 HydrophobicContact CE2-CG1 4.02Å; F146-V171 HydrophobicContact CE1-CG1 4.04Å; V161-V171 HydrophobicContact CG1-CG2 3.92Å; V161-V171 HydrophobicContact CG2-CG2 4.28Å; T166-V171 HydrophobicContact CG2-CG2 4.18Å; T167-V171 PolarHBondContact O-N 3.45Å; T167-V171 VanDerWaalsContact O-N 3.14Å; M168-V171 HydrophobicContact CE-CB 4.36Å; M168-V171 HydrophobicContact CE-CG1 4.06Å; M168-V171 WeakPolarHBondContact O-CB 3.33Å; M168-V171 PolarHBondContact O-N 2.85Å; M168-V171 HydrophobicContact SD-CB 4.12Å; M168-V171 HydrophobicContact SD-CG1 4.32Å; M168-V171 HydrophobicContact SD-CG2 4.48Å; V171-K173 VanDerWaalsContact C-N 3.31Å; V171-K173 PolarHBondContact O-N 3.49Å; V171-K174 WeakPolarHBondContact O-CB 3.43Å; V171-K174 PolarHBondContact O-N 3.38Å; V171-K174 VanDerWaalsContact O-N 3.16Å; V171-F175 HydrophobicContact CG1-CD2 4.2Å; V171-F175 HydrophobicContact CG1-CE2 4.11Å; V171-F175 VanDerWaalsContact O-CD2 3.28Å; V171-F175 WeakPolarHBondContact O-CD2 3.35Å; V171-F175 PolarHBondContact O-N 3.45Å; V171-C202 HydrophobicContact CG2-CB 3.66Å
172	Y	98.3	Very high	96.6	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-39.7	177.1	-68.1	-42.8	0	0	0	112.7	F143 M168 R169 K174 F175 D176 L177 I182 T185 Y197 L198	F143-Y172 HydrophobicContact CE1-CE1 4.42Å; F143-Y172 HydrophobicContact CE2-CD1 4.37Å; F143-Y172 HydrophobicContact CE2-CE1 4.2Å; F143-Y172 HydrophobicContact CZ-CD1 4.49Å; F143-Y172 AromaticContact CZ-CE1 3.9Å; F143-Y172 HydrophobicContact CZ-CE1 3.9Å; M168-Y172 HydrophobicContact CE-CD1 3.86Å; M168-Y172 HydrophobicContact CE-CE1 3.32Å; M168-Y172 HydrophobicContact CE-CE2 4.15Å; M168-Y172 HydrophobicContact CE-CG 4.49Å; M168-Y172 HydrophobicContact CG-CD2 4.11Å; M168-Y172 HydrophobicContact CG-CE2 3.64Å; M168-Y172 VanDerWaalsContact O-CD2 3.3Å; M168-Y172 WeakPolarHBondContact O-CD2 3.44Å; M168-Y172 PolarHBondContact O-N 3.42Å; R169-Y172 PolarHBondContact O-N 3.2Å; Y172-K174 PolarHBondContact O-N 3.42Å; Y172-F175 CarbonylContact O-C 3.48Å; Y172-F175 PolarHBondContact O-N 3.38Å; Y172-D176 PolarHBondContact O-N 3.05Å; Y172-L177 HydrophobicContact CD1-CD1 3.92Å; Y172-L177 HydrophobicContact CE1-CD1 4.49Å; Y172-L177 PolarHBondContact O-N 3.09Å; Y172-L177 VanDerWaalsContact O-N 3.16Å; Y172-I182 HydrophobicContact CD1-CG1 4.36Å; Y172-I182 HydrophobicContact CD2-CB 4.33Å; Y172-I182 HydrophobicContact CD2-CD1 3.97Å; Y172-I182 HydrophobicContact CD2-CG1 3.67Å; Y172-I182 HydrophobicContact CD2-CG2 3.93Å; Y172-I182 HydrophobicContact CE2-CB 4.31Å; Y172-I182 HydrophobicContact CE2-CG1 4.09Å; Y172-I182 HydrophobicContact CE2-CG2 3.71Å; Y172-I182 HydrophobicContact CG-CD1 4.15Å; Y172-I182 HydrophobicContact CG-CG1 3.79Å; Y172-T185 HydrophobicContact CE1-CG2 3.94Å; Y172-T185 VanDerWaalsContact OH-CG2 3.28Å; Y172-T185 WeakPolarHBondContact OH-CG2 3.05Å; Y172-Y197 AromaticContact CE2-CE2 3.8Å; Y172-Y197 HydrophobicContact CE2-CE2 3.8Å; Y172-Y197 WeakPolarHBondContact CE2-OH 3.36Å; Y172-Y197 PolarHBondContact OH-OH 3.34Å; Y172-L198 HydrophobicContact CD2-CD2 3.79Å; Y172-L198 HydrophobicContact CE2-CD2 3.6Å
173	K	97.8	Very high	96.4	Very high	162 Å²	162	52.7 Å²	52.7	70%	0.704	26%	0.263	S	S	*	.	H	α-helix	trans	-62.5	-40	174.9	-173.6	178.4	179.9	-179.6	0	112.3	R169 D170 V171 F175 D176	R169-K173 WeakPolarHBondContact O-CB 3.36Å; R169-K173 PolarHBondContact O-N 3.28Å; D170-K173 PolarHBondContact O-N 2.83Å; V171-K173 VanDerWaalsContact C-N 3.31Å; V171-K173 PolarHBondContact O-N 3.49Å; K173-F175 PolarHBondContact O-N 3.47Å; K173-D176 PolarHBondContact O-N 3.13Å
174	K	97.6	Very high	96.4	Very high	91 Å²	91	52.5 Å²	52.5	40%	0.396	26%	0.262	S	S	.	.	H	α-helix	trans	-58	-35.8	174.9	172.9	-177.1	174.8	-170.6	0	112.2	E159 V161 D170 V171 Y172	E159-K174 PolarHBondContact O-NZ 3.32Å; E159-K174 IonicContact OE2-NZ 3.02Å; V161-K174 HydrophobicContact CG2-CD 4.05Å; D170-K174 WeakPolarHBondContact O-CB 3.4Å; D170-K174 PolarHBondContact O-N 3.29Å; V171-K174 WeakPolarHBondContact O-CB 3.43Å; V171-K174 PolarHBondContact O-N 3.38Å; V171-K174 VanDerWaalsContact O-N 3.16Å; Y172-K174 PolarHBondContact O-N 3.42Å
175	F	97.3	Very high	96.4	Very high	21 Å²	21	45 Å²	45	9%	0.092	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	1.7	177.3	-69	-79.9	0	0	0	114	R139 K142 F143 F146 V171 Y172 K173 L177	R139-F175 WeakPolarHBondContact CB-O 3.34Å; R139-F175 WeakPolarHBondContact CD-O 3.46Å; K142-F175 HydrophobicContact CB-CD1 4.27Å; K142-F175 HydrophobicContact CB-CE1 4.32Å; F143-F175 HydrophobicContact CB-CB 4.26Å; F143-F175 HydrophobicContact CB-CD1 4.04Å; F143-F175 HydrophobicContact CB-CD2 4.21Å; F143-F175 HydrophobicContact CB-CE1 4.49Å; F143-F175 HydrophobicContact CB-CG 3.91Å; F143-F175 AromaticContact CD2-CD2 3.7Å; F143-F175 HydrophobicContact CD2-CD2 3.7Å; F143-F175 AromaticContact CD2-CE2 3.97Å; F143-F175 HydrophobicContact CD2-CE2 3.97Å; F143-F175 HydrophobicContact CD2-CG 4.24Å; F143-F175 HydrophobicContact CG-CD2 4.44Å; F146-F175 HydrophobicContact CB-CE1 4.08Å; F146-F175 HydrophobicContact CB-CE2 4.21Å; F146-F175 HydrophobicContact CB-CZ 3.44Å; F146-F175 VanDerWaalsContact CB-CZ 3.44Å; F146-F175 AromaticContact CD1-CE2 3.68Å; F146-F175 HydrophobicContact CD1-CE2 3.68Å; F146-F175 AromaticContact CD1-CZ 3.78Å; F146-F175 HydrophobicContact CD1-CZ 3.78Å; F146-F175 HydrophobicContact CD2-CZ 4.16Å; F146-F175 HydrophobicContact CE1-CE2 4.22Å; F146-F175 AromaticContact CG-CE2 3.91Å; F146-F175 HydrophobicContact CG-CE2 3.91Å; F146-F175 AromaticContact CG-CZ 3.51Å; F146-F175 HydrophobicContact CG-CZ 3.51Å; V171-F175 HydrophobicContact CG1-CD2 4.2Å; V171-F175 HydrophobicContact CG1-CE2 4.11Å; V171-F175 VanDerWaalsContact O-CD2 3.28Å; V171-F175 WeakPolarHBondContact O-CD2 3.35Å; V171-F175 PolarHBondContact O-N 3.45Å; Y172-F175 CarbonylContact O-C 3.48Å; Y172-F175 PolarHBondContact O-N 3.38Å; K173-F175 PolarHBondContact O-N 3.47Å; F175-L177 VanDerWaalsContact C-N 3.32Å; F175-L177 HydrophobicContact CB-CD1 4.11Å; F175-L177 HydrophobicContact CB-CD2 4.35Å; F175-L177 HydrophobicContact CB-CG 3.83Å; F175-L177 PolarHBondContact O-N 3.29Å
176	D	97.1	Very high	96.4	Very high	100 Å²	100	40 Å²	40	54%	0.535	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	48.7	-178.2	-179.8	52.7	0	0	0	111.9	R139 Y172 K173	R139-D176 WeakPolarHBondContact CD-O 3.46Å; R139-D176 WeakPolarHBondContact CD-OD2 3.27Å; R139-D176 VanDerWaalsContact CZ-O 3.26Å; R139-D176 IonicContact CZ-OD2 3.45Å; R139-D176 PolarHBondContact NE-O 2.98Å; R139-D176 IonicContact NE-OD2 3.19Å; R139-D176 PolarHBondContact NE-OD2 2.89Å; R139-D176 IonicContact NH1-OD2 3.83Å; R139-D176 PolarHBondContact NH1-OD2 3.18Å; Y172-D176 PolarHBondContact O-N 3.05Å; K173-D176 PolarHBondContact O-N 3.13Å
177	L	96.6	Very high	96.3	Very high	13 Å²	13	38.5 Å²	38.5	7%	0.068	19%	0.19	C	C	.	.			trans	-91.2	129.4	177.8	-59.3	-177.2	0	0	0	110.6	R139 F140 F143 Y172 F175 V181	R139-L177 HydrophobicContact CB-CD2 3.84Å; F140-L177 HydrophobicContact CB-CD2 4.24Å; F140-L177 HydrophobicContact CD2-CD1 4.22Å; F143-L177 HydrophobicContact CB-CD1 3.94Å; F143-L177 HydrophobicContact CD1-CD1 4.17Å; F143-L177 HydrophobicContact CD2-CD1 4.3Å; F143-L177 HydrophobicContact CG-CD1 3.86Å; Y172-L177 HydrophobicContact CD1-CD1 3.92Å; Y172-L177 HydrophobicContact CE1-CD1 4.49Å; Y172-L177 PolarHBondContact O-N 3.09Å; Y172-L177 VanDerWaalsContact O-N 3.16Å; F175-L177 VanDerWaalsContact C-N 3.32Å; F175-L177 HydrophobicContact CB-CD1 4.11Å; F175-L177 HydrophobicContact CB-CD2 4.35Å; F175-L177 HydrophobicContact CB-CG 3.83Å; F175-L177 PolarHBondContact O-N 3.29Å; L177-V181 HydrophobicContact CB-CB 4.3Å; L177-V181 HydrophobicContact CB-CG1 4.12Å; L177-V181 HydrophobicContact CD1-CG1 4.08Å; L177-V181 HydrophobicContact CD2-CG1 4.21Å; L177-V181 HydrophobicContact CG-CG1 4.35Å
178	G	94.4	Very high	96.2	Very high	29 Å²	29	37.2 Å²	37.2	30%	0.299	18%	0.182	S	C	.	.			trans	-77.6	168.1	179.8	0	0	0	0	0	113.2	E136 D180 V181 I182	E136-G178 PolarHBondContact OE1-N 2.95Å; G178-D180 VanDerWaalsContact C-N 3.33Å; G178-D180 PolarHBondContact O-N 2.95Å; G178-V181 WeakPolarHBondContact O-CB 3.38Å; G178-V181 PolarHBondContact O-N 2.92Å; G178-I182 WeakPolarHBondContact O-CG1 3.29Å; G178-I182 PolarHBondContact O-N 3.06Å
179	Q	92.7	Very high	96	Very high	94 Å²	94	37.2 Å²	37.2	44%	0.439	18%	0.182	S	C	.	.	H	α-helix	trans	-55	-44.6	-175.8	-172.7	61.6	46.7	0	0	112.9	V181 I182 D183	Q179-V181 PolarHBondContact O-N 2.81Å; Q179-I182 WeakPolarHBondContact O-CB 3.48Å; Q179-I182 PolarHBondContact O-N 2.85Å; Q179-I182 VanDerWaalsContact O-N 3.08Å; Q179-D183 PolarHBondContact NE2-OD1 2.96Å; Q179-D183 PolarHBondContact O-N 3.38Å
180	D	91	Very high	95.9	Very high	64 Å²	64	32.5 Å²	32.5	34%	0.342	16%	0.164	S	C	.	.	H	α-helix	trans	-59.2	-33.5	178.2	-66.8	-24.6	0	0	0	113	K112 G178 F184	K112-D180 HydrophobicContact CD-CB 4.48Å; K112-D180 VanDerWaalsContact CE-CG 3.49Å; K112-D180 WeakPolarHBondContact CE-OD2 3.39Å; K112-D180 VanDerWaalsContact NZ-CB 3.25Å; K112-D180 VanDerWaalsContact NZ-CG 3.3Å; K112-D180 IonicContact NZ-OD2 2.75Å; K112-D180 PolarHBondContact NZ-OD2 3.46Å; G178-D180 VanDerWaalsContact C-N 3.33Å; G178-D180 PolarHBondContact O-N 2.95Å; D180-F184 WeakPolarHBondContact O-CD1 3.5Å; D180-F184 PolarHBondContact O-N 3.4Å
181	V	94	Very high	95.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-73.9	-41.3	177.2	178.8	0	0	0	0	110.8	M132 E136 F140 L177 G178 Q179 D183 F184 T185	M132-V181 HydrophobicContact CG-CG2 3.75Å; M132-V181 HydrophobicContact SD-CG2 3.89Å; E136-V181 HydrophobicContact CG-CG2 3.61Å; E136-V181 VanDerWaalsContact OE1-CG2 3.32Å; E136-V181 WeakPolarHBondContact OE1-CG2 3.46Å; F140-V181 HydrophobicContact CD2-CG1 3.47Å; F140-V181 VanDerWaalsContact CD2-CG1 3.47Å; F140-V181 HydrophobicContact CE2-CG1 3.95Å; F140-V181 HydrophobicContact CG-CG1 4.23Å; L177-V181 HydrophobicContact CB-CB 4.3Å; L177-V181 HydrophobicContact CB-CG1 4.12Å; L177-V181 HydrophobicContact CD1-CG1 4.08Å; L177-V181 HydrophobicContact CD2-CG1 4.21Å; L177-V181 HydrophobicContact CG-CG1 4.35Å; G178-V181 WeakPolarHBondContact O-CB 3.38Å; G178-V181 PolarHBondContact O-N 2.92Å; Q179-V181 PolarHBondContact O-N 2.81Å; V181-D183 VanDerWaalsContact C-N 3.32Å; V181-F184 VanDerWaalsContact CA-CE1 3.45Å; V181-F184 HydrophobicContact CB-CE1 3.96Å; V181-F184 HydrophobicContact CB-CZ 4.36Å; V181-F184 HydrophobicContact CG1-CE1 3.9Å; V181-F184 HydrophobicContact CG1-CZ 3.79Å; V181-F184 HydrophobicContact CG2-CE1 3.93Å; V181-F184 HydrophobicContact CG2-CZ 4.47Å; V181-T185 WeakPolarHBondContact O-CB 3.3Å; V181-T185 PolarHBondContact O-N 2.62Å; V181-T185 PolarHBondContact O-OG1 2.9Å
182	I	95.8	Very high	95.7	Very high	16 Å²	16	30.5 Å²	30.5	8%	0.082	15%	0.152	C	C	.	.	H	α-helix	trans	-59.2	-46.7	175.3	-66.5	174.2	0	0	0	109.8	Y172 G178 Q179 T185 G186 Y197 L198	Y172-I182 HydrophobicContact CD1-CG1 4.36Å; Y172-I182 HydrophobicContact CD2-CB 4.33Å; Y172-I182 HydrophobicContact CD2-CD1 3.97Å; Y172-I182 HydrophobicContact CD2-CG1 3.67Å; Y172-I182 HydrophobicContact CD2-CG2 3.93Å; Y172-I182 HydrophobicContact CE2-CB 4.31Å; Y172-I182 HydrophobicContact CE2-CG1 4.09Å; Y172-I182 HydrophobicContact CE2-CG2 3.71Å; Y172-I182 HydrophobicContact CG-CD1 4.15Å; Y172-I182 HydrophobicContact CG-CG1 3.79Å; G178-I182 WeakPolarHBondContact O-CG1 3.29Å; G178-I182 PolarHBondContact O-N 3.06Å; Q179-I182 WeakPolarHBondContact O-CB 3.48Å; Q179-I182 PolarHBondContact O-N 2.85Å; Q179-I182 VanDerWaalsContact O-N 3.08Å; I182-T185 PolarHBondContact O-N 2.85Å; I182-G186 PolarHBondContact O-N 3.45Å; I182-Y197 PolarHBondContact O-OH 3.34Å; I182-L198 HydrophobicContact CG2-CD1 4.4Å; I182-L198 HydrophobicContact CG2-CD2 3.71Å
183	D	93.4	Very high	95.4	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-54.8	-58.9	177.9	-71.9	-4.8	0	0	0	110.8	Q179 V181 T185 G186 H187 P322 N324 Q325	Q179-D183 PolarHBondContact NE2-OD1 2.96Å; Q179-D183 PolarHBondContact O-N 3.38Å; V181-D183 VanDerWaalsContact C-N 3.32Å; D183-T185 VanDerWaalsContact C-N 3.28Å; D183-T185 PolarHBondContact O-N 2.87Å; D183-G186 PolarHBondContact O-N 3.33Å; D183-H187 VanDerWaalsContact O-CB 3.29Å; D183-H187 WeakPolarHBondContact O-CB 3.41Å; D183-H187 PolarHBondContact O-CD2 3.4Å; D183-H187 PolarHBondContact O-N 3.21Å; D183-P322 HydrophobicContact CB-CB 4.32Å; D183-N324 PolarHBondContact OD1-ND2 3.39Å; D183-Q325 PolarHBondContact OD2-NE2 3.36Å; D183-Q325 VanDerWaalsContact OD2-NE2 3.17Å
184	F	94.4	Very high	95	Very high	5 Å²	5	31 Å²	31	2%	0.022	16%	0.155	C	C	.	.	H	α-helix	trans	-69.3	-27.6	-177.4	80.6	-110.4	0	0	0	112.7	V110 P120 L131 M132 F140 D180 V181 A188 L189	V110-F184 HydrophobicContact CB-CB 4.41Å; V110-F184 HydrophobicContact CG1-CB 3.99Å; V110-F184 HydrophobicContact CG2-CB 3.87Å; P120-F184 HydrophobicContact CG-CE2 4.08Å; P120-F184 HydrophobicContact CG-CZ 4.32Å; L131-F184 HydrophobicContact CB-CE1 4.4Å; L131-F184 HydrophobicContact CD1-CD1 4.23Å; L131-F184 HydrophobicContact CD1-CE1 4.41Å; L131-F184 HydrophobicContact CD1-CG 4.38Å; M132-F184 HydrophobicContact CE-CE1 4.17Å; M132-F184 HydrophobicContact CE-CZ 3.72Å; M132-F184 HydrophobicContact CG-CE1 4.09Å; M132-F184 HydrophobicContact CG-CZ 4.46Å; M132-F184 HydrophobicContact SD-CE1 4.02Å; M132-F184 HydrophobicContact SD-CZ 3.8Å; F140-F184 HydrophobicContact CD1-CZ 4.25Å; F140-F184 HydrophobicContact CD2-CZ 4.22Å; F140-F184 AromaticContact CE1-CE2 3.86Å; F140-F184 HydrophobicContact CE1-CE2 3.86Å; F140-F184 AromaticContact CE1-CZ 3.96Å; F140-F184 HydrophobicContact CE1-CZ 3.96Å; F140-F184 AromaticContact CE2-CE2 3.86Å; F140-F184 HydrophobicContact CE2-CE2 3.86Å; F140-F184 AromaticContact CE2-CZ 3.95Å; F140-F184 HydrophobicContact CE2-CZ 3.95Å; F140-F184 HydrophobicContact CG-CZ 4.38Å; F140-F184 AromaticContact CZ-CE2 3.46Å; F140-F184 HydrophobicContact CZ-CE2 3.46Å; F140-F184 VanDerWaalsContact CZ-CE2 3.46Å; F140-F184 AromaticContact CZ-CZ 3.81Å; F140-F184 HydrophobicContact CZ-CZ 3.81Å; D180-F184 WeakPolarHBondContact O-CD1 3.5Å; D180-F184 PolarHBondContact O-N 3.4Å; V181-F184 VanDerWaalsContact CA-CE1 3.45Å; V181-F184 HydrophobicContact CB-CE1 3.96Å; V181-F184 HydrophobicContact CB-CZ 4.36Å; V181-F184 HydrophobicContact CG1-CE1 3.9Å; V181-F184 HydrophobicContact CG1-CZ 3.79Å; V181-F184 HydrophobicContact CG2-CE1 3.93Å; V181-F184 HydrophobicContact CG2-CZ 4.47Å; F184-A188 VanDerWaalsContact O-CA 3.31Å; F184-A188 WeakPolarHBondContact O-CA 3.47Å; F184-A188 WeakPolarHBondContact O-CB 3.48Å; F184-A188 PolarHBondContact O-N 3.01Å; F184-L189 PolarHBondContact O-N 3.04Å
185	T	96.3	Very high	94.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-71.8	-47.9	178.4	-56.5	0	0	0	0	110.9	F140 F143 Y172 V181 I182 D183 L189 A190 I209	F140-T185 HydrophobicContact CE2-CG2 4.46Å; F140-T185 VanDerWaalsContact CE2-OG1 3.32Å; F140-T185 WeakPolarHBondContact CE2-OG1 3.36Å; F143-T185 HydrophobicContact CE1-CG2 3.76Å; F143-T185 HydrophobicContact CZ-CG2 4.18Å; Y172-T185 HydrophobicContact CE1-CG2 3.94Å; Y172-T185 VanDerWaalsContact OH-CG2 3.28Å; Y172-T185 WeakPolarHBondContact OH-CG2 3.05Å; V181-T185 WeakPolarHBondContact O-CB 3.3Å; V181-T185 PolarHBondContact O-N 2.62Å; V181-T185 PolarHBondContact O-OG1 2.9Å; I182-T185 PolarHBondContact O-N 2.85Å; D183-T185 VanDerWaalsContact C-N 3.28Å; D183-T185 PolarHBondContact O-N 2.87Å; T185-L189 HydrophobicContact CG2-CD1 4.23Å; T185-L189 WeakPolarHBondContact O-CB 3.31Å; T185-L189 PolarHBondContact O-N 3.41Å; T185-A190 PolarHBondContact O-N 3Å; T185-I209 HydrophobicContact CG2-CD1 3.7Å; T185-I209 HydrophobicContact CG2-CG1 4.44Å
186	G	97	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-64.6	-48.4	177.4	0	0	0	0	0	112.7	I182 D183 A190 L191 Y192 Y197	I182-G186 PolarHBondContact O-N 3.45Å; D183-G186 PolarHBondContact O-N 3.33Å; G186-A190 CarbonylContact O-C 3.55Å; G186-A190 WeakPolarHBondContact O-CB 3.37Å; G186-L191 PolarHBondContact O-N 3.3Å; G186-Y192 PolarHBondContact O-N 3.21Å; G186-Y197 VanDerWaalsContact CA-OH 3.23Å; G186-Y197 WeakPolarHBondContact CA-OH 3.43Å
187	H	96.9	Very high	94.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	I	π-helix	trans	-88.9	-35.1	-169.9	-65.8	-95.9	0	0	0	113.1	D183 L191 Y192 D195 I320 P322 D331	D183-H187 VanDerWaalsContact O-CB 3.29Å; D183-H187 WeakPolarHBondContact O-CB 3.41Å; D183-H187 PolarHBondContact O-CD2 3.4Å; D183-H187 PolarHBondContact O-N 3.21Å; H187-L191 WeakPolarHBondContact O-CA 3.35Å; H187-Y192 PolarHBondContact ND1-O 3.22Å; H187-D195 IonicContact NE2-OD1 3.64Å; H187-D195 PolarHBondContact NE2-OD1 3.17Å; H187-I320 HydrophobicContact CB-CG2 4.23Å; H187-I320 WeakPolarHBondContact O-CD1 3.23Å; H187-P322 HydrophobicContact CB-CB 4.25Å; H187-P322 HydrophobicContact CB-CG 4.2Å; H187-D331 IonicContact CE1-OD1 3.81Å; H187-D331 PolarHBondContact CE1-OD1 2.94Å; H187-D331 IonicContact CE1-OD2 2.72Å; H187-D331 IonicContact CG-OD1 2.7Å; H187-D331 IonicContact CG-OD2 2.67Å; H187-D331 IonicContact ND1-OD1 3.1Å; H187-D331 PolarHBondContact ND1-OD1 2.83Å; H187-D331 IonicContact ND1-OD2 2.64Å; H187-D331 PolarHBondContact ND1-OD2 3.32Å
188	A	95.6	Very high	94.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	I	π-helix	trans	-103.8	-22.2	-175.1	0	0	0	0	0	115.3	V110 V119 F184 Y212 I320	V110-A188 HydrophobicContact CB-CB 3.99Å; V110-A188 HydrophobicContact CG2-CB 4.02Å; V119-A188 HydrophobicContact CG1-CB 4.29Å; V119-A188 HydrophobicContact CG2-CB 3.83Å; F184-A188 VanDerWaalsContact O-CA 3.31Å; F184-A188 WeakPolarHBondContact O-CA 3.47Å; F184-A188 WeakPolarHBondContact O-CB 3.48Å; F184-A188 PolarHBondContact O-N 3.01Å; A188-Y212 WeakPolarHBondContact O-CE2 3.32Å; A188-I320 HydrophobicContact CB-CB 4.46Å; A188-I320 HydrophobicContact CB-CD1 4.07Å
189	L	95.5	Very high	94.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.154	C	C	.	.	I	π-helix	trans	-100.6	-52.2	172.2	-66.2	172.8	0	0	0	111.8	V119 F140 F184 T185 L191 I209 Y212	V119-L189 HydrophobicContact CG1-CD2 3.48Å; V119-L189 VanDerWaalsContact CG1-CD2 3.48Å; V119-L189 HydrophobicContact CG1-CG 3.92Å; F140-L189 HydrophobicContact CZ-CD1 3.85Å; F184-L189 PolarHBondContact O-N 3.04Å; T185-L189 HydrophobicContact CG2-CD1 4.23Å; T185-L189 WeakPolarHBondContact O-CB 3.31Å; T185-L189 PolarHBondContact O-N 3.41Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L189-I209 HydrophobicContact CB-CG1 4.32Å; L189-I209 HydrophobicContact CB-CG2 4.49Å; L189-Y212 HydrophobicContact CD2-CD1 3.49Å; L189-Y212 VanDerWaalsContact CD2-CD1 3.49Å; L189-Y212 HydrophobicContact CD2-CD2 4.2Å; L189-Y212 HydrophobicContact CD2-CE1 3.51Å; L189-Y212 HydrophobicContact CD2-CE2 4.17Å; L189-Y212 HydrophobicContact CD2-CG 3.88Å; L189-Y212 WeakPolarHBondContact O-CB 3.08Å; L189-Y212 WeakPolarHBondContact O-CD2 3.31Å
190	A	96.3	Very high	95.1	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.017	15%	0.151	C	C	.	.	S	Bend	trans	-83.4	-10.5	-179.1	0	0	0	0	0	113.6	T185 G186 Y192 T205 R208 I209	T185-A190 PolarHBondContact O-N 3Å; G186-A190 CarbonylContact O-C 3.55Å; G186-A190 WeakPolarHBondContact O-CB 3.37Å; A190-Y192 HydrophobicContact CB-CD2 3.61Å; A190-Y192 HydrophobicContact CB-CE2 3.71Å; A190-Y192 PolarHBondContact O-N 2.85Å; A190-T205 HydrophobicContact CB-CG2 4.02Å; A190-R208 HydrophobicContact CB-CB 4.04Å; A190-R208 WeakPolarHBondContact O-CD 3.43Å; A190-R208 PolarHBondContact O-NH1 3.38Å; A190-I209 HydrophobicContact CB-CG1 3.92Å
191	L	95.9	Very high	95.5	Very high	13 Å²	13	29.3 Å²	29.3	7%	0.068	15%	0.153	C	C	.	.			trans	55.5	38	175.5	-52.4	-178.9	0	0	0	113.2	M82 G186 H187 L189 R208 Y224 I320	M82-L191 HydrophobicContact CE-CD1 3.36Å; G186-L191 PolarHBondContact O-N 3.3Å; H187-L191 WeakPolarHBondContact O-CA 3.35Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L191-R208 PolarHBondContact O-NH1 3.22Å; L191-Y224 HydrophobicContact CD1-CE1 4.3Å; L191-Y224 WeakPolarHBondContact CD2-OH 3.32Å; L191-I320 HydrophobicContact CD2-CD1 3.74Å
192	Y	95.6	Very high	95.6	Very high	24 Å²	24	29.3 Å²	29.3	9%	0.094	15%	0.153	C	C	.	.			trans	-75.5	150.6	167.2	-72.3	-71.6	0	0	0	110.5	G186 H187 A190 Y197 T205 R208	G186-Y192 PolarHBondContact O-N 3.21Å; H187-Y192 PolarHBondContact ND1-O 3.22Å; A190-Y192 HydrophobicContact CB-CD2 3.61Å; A190-Y192 HydrophobicContact CB-CE2 3.71Å; A190-Y192 PolarHBondContact O-N 2.85Å; Y192-Y197 HydrophobicContact CD1-CD1 4.49Å; Y192-Y197 HydrophobicContact CD1-CG 4.29Å; Y192-Y197 AromaticContact CD2-CD1 3.63Å; Y192-Y197 HydrophobicContact CD2-CD1 3.63Å; Y192-Y197 AromaticContact CD2-CD2 3.74Å; Y192-Y197 HydrophobicContact CD2-CD2 3.74Å; Y192-Y197 HydrophobicContact CD2-CE1 4.23Å; Y192-Y197 HydrophobicContact CD2-CE2 4.29Å; Y192-Y197 AromaticContact CD2-CG 3.36Å; Y192-Y197 HydrophobicContact CD2-CG 3.36Å; Y192-Y197 HydrophobicContact CE1-CG 4.43Å; Y192-Y197 HydrophobicContact CE2-CD1 4.26Å; Y192-Y197 AromaticContact CE2-CD2 3.63Å; Y192-Y197 HydrophobicContact CE2-CD2 3.63Å; Y192-Y197 HydrophobicContact CE2-CE2 4.44Å; Y192-Y197 AromaticContact CE2-CG 3.52Å; Y192-Y197 HydrophobicContact CE2-CG 3.52Å; Y192-Y197 AromaticContact CG-CD1 3.75Å; Y192-Y197 HydrophobicContact CG-CD1 3.75Å; Y192-Y197 AromaticContact CG-CG 3.78Å; Y192-Y197 HydrophobicContact CG-CG 3.78Å; Y192-Y197 VanDerWaalsContact CZ-CB 3.47Å; Y192-T205 HydrophobicContact CE2-CG2 3.87Å; Y192-T205 WeakPolarHBondContact CE2-OG1 3.46Å; Y192-T205 PolarHBondContact OH-N 3.32Å; Y192-T205 PolarHBondContact OH-OG1 2.88Å; Y192-T205 VanDerWaalsContact OH-OG1 3.05Å; Y192-R208 VanDerWaalsContact CZ-CD 3.43Å; Y192-R208 WeakPolarHBondContact OH-CD 3.38Å
193	R	91.7	Very high	95.7	Very high	124 Å²	124	30.1 Å²	30.1	47%	0.468	16%	0.157	S	C	.	.	S	Bend	trans	-93.4	-19.8	179.1	-59.9	176	-63.7	-175.6	6.5	112.7	Q323 D405 T407	R193-Q323 PolarHBondContact O-OE1 3.07Å; R193-D405 IonicContact CZ-OD2 3.01Å; R193-D405 IonicContact NH1-OD2 3.24Å; R193-D405 PolarHBondContact NH1-OD2 3.3Å; R193-T407 HydrophobicContact CG-CG2 3.7Å
194	T	89.9	Confident	95.9	Very high	50 Å²	50	34.6 Å²	34.6	31%	0.307	18%	0.177	S	C	.	.	S	Bend	trans	-145	162.3	-174.8	61.6	0	0	0	0	109.2	D196 Y197	T194-D196 PolarHBondContact O-N 3.45Å; T194-D196 PolarHBondContact OG1-OD2 2.9Å; T194-Y197 WeakPolarHBondContact O-CD1 3.41Å
195	D	95.1	Very high	96	Very high	34 Å²	34	34.3 Å²	34.3	18%	0.182	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-78.8	6.9	177.4	-86.7	-32.7	0	0	0	114.3	H187 Y197 L198 N324	H187-D195 IonicContact NE2-OD1 3.64Å; H187-D195 PolarHBondContact NE2-OD1 3.17Å; D195-Y197 PolarHBondContact O-N 3.22Å; D195-Y197 VanDerWaalsContact O-N 3.1Å; D195-L198 HydrophobicContact CB-CD1 3.87Å; D195-L198 HydrophobicContact CB-CG 4.39Å; D195-L198 VanDerWaalsContact O-CB 3.28Å; D195-L198 WeakPolarHBondContact O-CB 3.41Å; D195-L198 VanDerWaalsContact O-CG 3.31Å; D195-L198 WeakPolarHBondContact O-CG 3.34Å; D195-L198 PolarHBondContact O-N 3.14Å; D195-N324 PolarHBondContact OD2-ND2 3.3Å
196	D	94.2	Very high	96.1	Very high	117 Å²	117	34.3 Å²	34.3	63%	0.626	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-59.2	-27.4	-179.2	-60.7	-38.9	0	0	0	112.3	T194 L198 D199	T194-D196 PolarHBondContact O-N 3.45Å; T194-D196 PolarHBondContact OG1-OD2 2.9Å; D196-L198 PolarHBondContact O-N 3.35Å; D196-L198 VanDerWaalsContact O-N 3.16Å; D196-D199 PolarHBondContact O-N 3.38Å
197	Y	96.4	Very high	96	Very high	5 Å²	5	37 Å²	37	2%	0.02	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-63.2	-18.8	177.5	81.8	-82.6	0	0	0	113.6	M168 Y172 I182 G186 Y192 T194 D195 D199 V200 T205	M168-Y197 HydrophobicContact CB-CD2 4.08Å; M168-Y197 HydrophobicContact CB-CE2 4.28Å; M168-Y197 HydrophobicContact CG-CD2 4.01Å; M168-Y197 HydrophobicContact CG-CE2 3.83Å; Y172-Y197 AromaticContact CE2-CE2 3.8Å; Y172-Y197 HydrophobicContact CE2-CE2 3.8Å; Y172-Y197 WeakPolarHBondContact CE2-OH 3.36Å; Y172-Y197 PolarHBondContact OH-OH 3.34Å; I182-Y197 PolarHBondContact O-OH 3.34Å; G186-Y197 VanDerWaalsContact CA-OH 3.23Å; G186-Y197 WeakPolarHBondContact CA-OH 3.43Å; Y192-Y197 HydrophobicContact CD1-CD1 4.49Å; Y192-Y197 HydrophobicContact CD1-CG 4.29Å; Y192-Y197 AromaticContact CD2-CD1 3.63Å; Y192-Y197 HydrophobicContact CD2-CD1 3.63Å; Y192-Y197 AromaticContact CD2-CD2 3.74Å; Y192-Y197 HydrophobicContact CD2-CD2 3.74Å; Y192-Y197 HydrophobicContact CD2-CE1 4.23Å; Y192-Y197 HydrophobicContact CD2-CE2 4.29Å; Y192-Y197 AromaticContact CD2-CG 3.36Å; Y192-Y197 HydrophobicContact CD2-CG 3.36Å; Y192-Y197 HydrophobicContact CE1-CG 4.43Å; Y192-Y197 HydrophobicContact CE2-CD1 4.26Å; Y192-Y197 AromaticContact CE2-CD2 3.63Å; Y192-Y197 HydrophobicContact CE2-CD2 3.63Å; Y192-Y197 HydrophobicContact CE2-CE2 4.44Å; Y192-Y197 AromaticContact CE2-CG 3.52Å; Y192-Y197 HydrophobicContact CE2-CG 3.52Å; Y192-Y197 AromaticContact CG-CD1 3.75Å; Y192-Y197 HydrophobicContact CG-CD1 3.75Å; Y192-Y197 AromaticContact CG-CG 3.78Å; Y192-Y197 HydrophobicContact CG-CG 3.78Å; Y192-Y197 VanDerWaalsContact CZ-CB 3.47Å; T194-Y197 WeakPolarHBondContact O-CD1 3.41Å; D195-Y197 PolarHBondContact O-N 3.22Å; D195-Y197 VanDerWaalsContact O-N 3.1Å; Y197-D199 PolarHBondContact O-N 3.16Å; Y197-V200 WeakPolarHBondContact O-CG2 3.32Å; Y197-T205 HydrophobicContact CD2-CG2 3.93Å; Y197-T205 HydrophobicContact CE2-CG2 4.05Å
198	L	97.8	Very high	96	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64	-32.2	-178.7	-69.8	177.6	0	0	0	112.2	T167 M168 R169 Y172 I182 D195 D196	T167-L198 WeakPolarHBondContact CB-O 3.37Å; M168-L198 PolarHBondContact N-O 3.16Å; R169-L198 HydrophobicContact CB-CB 4.32Å; R169-L198 VanDerWaalsContact CB-O 3.23Å; R169-L198 WeakPolarHBondContact CB-O 3.28Å; R169-L198 PolarHBondContact N-O 3.34Å; Y172-L198 HydrophobicContact CD2-CD2 3.79Å; Y172-L198 HydrophobicContact CE2-CD2 3.6Å; I182-L198 HydrophobicContact CG2-CD1 4.4Å; I182-L198 HydrophobicContact CG2-CD2 3.71Å; D195-L198 HydrophobicContact CB-CD1 3.87Å; D195-L198 HydrophobicContact CB-CG 4.39Å; D195-L198 VanDerWaalsContact O-CB 3.28Å; D195-L198 WeakPolarHBondContact O-CB 3.41Å; D195-L198 VanDerWaalsContact O-CG 3.31Å; D195-L198 WeakPolarHBondContact O-CG 3.34Å; D195-L198 PolarHBondContact O-N 3.14Å; D196-L198 PolarHBondContact O-N 3.35Å; D196-L198 VanDerWaalsContact O-N 3.16Å
199	D	97.8	Very high	96	Very high	97 Å²	97	39.1 Å²	39.1	52%	0.519	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-109.3	13.6	-171.4	-61.1	-51.8	0	0	0	113.2	R169 D196 Y197	R169-D199 IonicContact CZ-OD1 2.76Å; R169-D199 IonicContact CZ-OD2 3.58Å; R169-D199 IonicContact NE-OD1 2.88Å; R169-D199 PolarHBondContact NE-OD1 2.75Å; R169-D199 IonicContact NE-OD2 3.3Å; R169-D199 IonicContact NH2-OD1 3.3Å; R169-D199 PolarHBondContact NH2-OD1 3.33Å; R169-D199 IonicContact NH2-OD2 3.21Å; R169-D199 PolarHBondContact NH2-OD2 3.02Å; D196-D199 PolarHBondContact O-N 3.38Å; Y197-D199 PolarHBondContact O-N 3.16Å
200	V	96.7	Very high	96	Very high	61 Å²	61	40.7 Å²	40.7	37%	0.37	21%	0.206	S	C	.	.	S	Bend	trans	-110.9	165	171.2	-53.9	0	0	0	0	111	T167 M168 Y197 C202	T167-V200 VanDerWaalsContact CA-O 3.31Å; T167-V200 WeakPolarHBondContact CA-O 3.44Å; M168-V200 PolarHBondContact N-O 2.63Å; Y197-V200 WeakPolarHBondContact O-CG2 3.32Å; V200-C202 PolarHBondContact O-N 2.92Å
201	P	98.3	Very high	95.9	Very high	59 Å²	59	42.4 Å²	42.4	38%	0.383	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-54	136.1	-179.7	-28.9	37.2	0	0	0	113.8	K164 T166 L203	K164-P201 WeakPolarHBondContact O-CG 3.47Å; T166-P201 WeakPolarHBondContact O-CA 3.36Å; P201-L203 PolarHBondContact O-N 3.44Å; P201-L203 VanDerWaalsContact O-N 3.13Å
202	C	98	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.7	-169.8	68.2	0	0	0	0	115	T166 M168 V171 V200 E204 T205 I206	T166-C202 PolarHBondContact O-N 2.81Å; M168-C202 HydrophobicContact CB-CB 4.37Å; M168-C202 HydrophobicContact SD-CB 3.75Å; V171-C202 HydrophobicContact CG2-CB 3.66Å; V200-C202 PolarHBondContact O-N 2.92Å; C202-E204 PolarHBondContact O-N 3.43Å; C202-T205 PolarHBondContact O-N 3.22Å; C202-I206 HydrophobicContact CB-CD1 4.21Å; C202-I206 VanDerWaalsContact O-CG1 3.32Å; C202-I206 WeakPolarHBondContact O-CG1 3.37Å; C202-I206 PolarHBondContact O-N 3.05Å
203	L	97.8	Very high	95.7	Very high	33 Å²	33	42.5 Å²	42.5	17%	0.173	22%	0.219	C	C	.	.	H	α-helix	trans	-55.2	-48.8	-174.6	-179.6	56.7	0	0	0	112.9	F150 E152 P163 P201 T205 I206 N207	F150-L203 HydrophobicContact CE1-CD1 3.7Å; F150-L203 HydrophobicContact CZ-CD1 3.94Å; E152-L203 HydrophobicContact CG-CD1 3.72Å; P163-L203 HydrophobicContact CB-CB 4.1Å; P163-L203 HydrophobicContact CB-CD1 4.17Å; P163-L203 VanDerWaalsContact O-CB 3.32Å; P163-L203 WeakPolarHBondContact O-CB 3.44Å; P163-L203 PolarHBondContact O-N 3.47Å; P201-L203 PolarHBondContact O-N 3.44Å; P201-L203 VanDerWaalsContact O-N 3.13Å; L203-T205 VanDerWaalsContact C-N 3.33Å; L203-T205 PolarHBondContact O-N 3.49Å; L203-I206 PolarHBondContact O-N 2.89Å; L203-N207 WeakPolarHBondContact O-CB 3.34Å; L203-N207 PolarHBondContact O-N 2.89Å
204	E	96.1	Very high	95.7	Very high	97 Å²	97	41.6 Å²	41.6	45%	0.453	22%	0.22	S	C	.	.	H	α-helix	trans	-62.7	-43.4	-178.8	-169.4	-169.4	152.8	0	0	110.9	C202 N207 R208	C202-E204 PolarHBondContact O-N 3.43Å; E204-N207 PolarHBondContact O-N 3.32Å; E204-R208 WeakPolarHBondContact O-CG 3.44Å; E204-R208 PolarHBondContact O-N 3.19Å; E204-R208 IonicContact OE1-CZ 3.92Å; E204-R208 IonicContact OE1-NE 3.11Å; E204-R208 PolarHBondContact OE1-NE 3.27Å; E204-R208 IonicContact OE1-NH2 2.67Å; E204-R208 PolarHBondContact OE1-NH2 2.93Å
205	T	97.8	Very high	95.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-43.2	179.3	-51.8	0	0	0	0	111.9	M168 A190 Y192 Y197 C202 L203 N207 R208 I209	M168-T205 HydrophobicContact CE-CG2 3.92Å; M168-T205 HydrophobicContact CG-CG2 3.73Å; M168-T205 HydrophobicContact SD-CG2 3.67Å; A190-T205 HydrophobicContact CB-CG2 4.02Å; Y192-T205 HydrophobicContact CE2-CG2 3.87Å; Y192-T205 WeakPolarHBondContact CE2-OG1 3.46Å; Y192-T205 PolarHBondContact OH-N 3.32Å; Y192-T205 PolarHBondContact OH-OG1 2.88Å; Y192-T205 VanDerWaalsContact OH-OG1 3.05Å; Y197-T205 HydrophobicContact CD2-CG2 3.93Å; Y197-T205 HydrophobicContact CE2-CG2 4.05Å; C202-T205 PolarHBondContact O-N 3.22Å; L203-T205 VanDerWaalsContact C-N 3.33Å; L203-T205 PolarHBondContact O-N 3.49Å; T205-N207 VanDerWaalsContact C-N 3.31Å; T205-N207 PolarHBondContact O-N 3.25Å; T205-R208 PolarHBondContact O-N 2.75Å; T205-I209 HydrophobicContact CG2-CD1 3.93Å; T205-I209 HydrophobicContact CG2-CG1 4.46Å; T205-I209 VanDerWaalsContact O-CG1 3.28Å; T205-I209 WeakPolarHBondContact O-CG1 3.45Å; T205-I209 PolarHBondContact O-N 3.3Å
206	I	97.7	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58	-46.7	174.8	-69.5	168.8	0	0	0	110	F146 V147 F150 C202 L203 R208 I209 K210	F146-I206 HydrophobicContact CE1-CD1 3.95Å; F146-I206 HydrophobicContact CE1-CG1 4.47Å; F146-I206 HydrophobicContact CZ-CD1 4.1Å; V147-I206 HydrophobicContact CG1-CG2 4.29Å; F150-I206 HydrophobicContact CB-CG2 4.1Å; F150-I206 HydrophobicContact CD1-CG2 3.66Å; F150-I206 HydrophobicContact CD2-CD1 4.24Å; F150-I206 HydrophobicContact CE1-CG2 4.21Å; F150-I206 HydrophobicContact CE2-CD1 4.19Å; F150-I206 HydrophobicContact CG-CG2 3.85Å; F150-I206 HydrophobicContact CZ-CD1 4.5Å; C202-I206 HydrophobicContact CB-CD1 4.21Å; C202-I206 VanDerWaalsContact O-CG1 3.32Å; C202-I206 WeakPolarHBondContact O-CG1 3.37Å; C202-I206 PolarHBondContact O-N 3.05Å; L203-I206 PolarHBondContact O-N 2.89Å; I206-R208 PolarHBondContact O-N 2.99Å; I206-I209 PolarHBondContact O-N 3.41Å; I206-K210 HydrophobicContact CG2-CD 4.45Å; I206-K210 WeakPolarHBondContact O-CG 3.31Å; I206-K210 PolarHBondContact O-N 2.97Å
207	N	95.9	Very high	95.5	Very high	56 Å²	56	36.4 Å²	36.4	30%	0.299	20%	0.202	S	C	.	.	H	α-helix	trans	-66.7	-35.6	-179.8	-75.9	-16.8	0	0	0	112.9	E152 L203 E204 T205 L211	E152-N207 PolarHBondContact OE1-ND2 2.92Å; L203-N207 WeakPolarHBondContact O-CB 3.34Å; L203-N207 PolarHBondContact O-N 2.89Å; E204-N207 PolarHBondContact O-N 3.32Å; T205-N207 VanDerWaalsContact C-N 3.31Å; T205-N207 PolarHBondContact O-N 3.25Å; N207-L211 WeakPolarHBondContact O-CB 3.42Å; N207-L211 PolarHBondContact O-N 3.46Å
208	R	96.2	Very high	95.1	Very high	44 Å²	44	42.9 Å²	42.9	17%	0.166	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-44.1	172.5	-75.5	167.2	166.8	-111.8	4.4	112.3	A190 L191 Y192 E204 T205 I206 L211 Y212	A190-R208 HydrophobicContact CB-CB 4.04Å; A190-R208 WeakPolarHBondContact O-CD 3.43Å; A190-R208 PolarHBondContact O-NH1 3.38Å; L191-R208 PolarHBondContact O-NH1 3.22Å; Y192-R208 VanDerWaalsContact CZ-CD 3.43Å; Y192-R208 WeakPolarHBondContact OH-CD 3.38Å; E204-R208 WeakPolarHBondContact O-CG 3.44Å; E204-R208 PolarHBondContact O-N 3.19Å; E204-R208 IonicContact OE1-CZ 3.92Å; E204-R208 IonicContact OE1-NE 3.11Å; E204-R208 PolarHBondContact OE1-NE 3.27Å; E204-R208 IonicContact OE1-NH2 2.67Å; E204-R208 PolarHBondContact OE1-NH2 2.93Å; T205-R208 PolarHBondContact O-N 2.75Å; I206-R208 PolarHBondContact O-N 2.99Å; R208-L211 WeakPolarHBondContact O-CB 3.26Å; R208-L211 PolarHBondContact O-N 2.98Å; R208-Y212 PolarHBondContact O-N 3.46Å
209	I	96.3	Very high	94.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-42.2	177.7	-62.3	165.9	0	0	0	110.4	F143 L144 V147 M168 T185 L189 A190 T205 I206 Y212 S213	F143-I209 HydrophobicContact CE1-CD1 4.03Å; F143-I209 HydrophobicContact CZ-CD1 3.68Å; L144-I209 HydrophobicContact CD2-CG2 4.48Å; V147-I209 HydrophobicContact CG1-CB 4Å; V147-I209 HydrophobicContact CG1-CG2 3.79Å; M168-I209 HydrophobicContact CE-CD1 4.33Å; T185-I209 HydrophobicContact CG2-CD1 3.7Å; T185-I209 HydrophobicContact CG2-CG1 4.44Å; L189-I209 HydrophobicContact CB-CG1 4.32Å; L189-I209 HydrophobicContact CB-CG2 4.49Å; A190-I209 HydrophobicContact CB-CG1 3.92Å; T205-I209 HydrophobicContact CG2-CD1 3.93Å; T205-I209 HydrophobicContact CG2-CG1 4.46Å; T205-I209 VanDerWaalsContact O-CG1 3.28Å; T205-I209 WeakPolarHBondContact O-CG1 3.45Å; T205-I209 PolarHBondContact O-N 3.3Å; I206-I209 PolarHBondContact O-N 3.41Å; I209-Y212 WeakPolarHBondContact O-CB 3.39Å; I209-Y212 PolarHBondContact O-N 3.31Å; I209-S213 PolarHBondContact O-N 3.13Å
210	K	94.4	Very high	93.9	Very high	35 Å²	35	45.2 Å²	45.2	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-57.7	-48.6	172.2	-78.2	179.9	165.3	-168.8	0	112.1	V147 F150 I206 Y212 S213 E214	V147-K210 HydrophobicContact CG1-CG 3.67Å; V147-K210 WeakPolarHBondContact O-CE 3.44Å; F150-K210 WeakPolarHBondContact O-CE 3.11Å; F150-K210 PolarHBondContact O-NZ 3.45Å; I206-K210 HydrophobicContact CG2-CD 4.45Å; I206-K210 WeakPolarHBondContact O-CG 3.31Å; I206-K210 PolarHBondContact O-N 2.97Å; K210-Y212 PolarHBondContact O-N 3.44Å; K210-S213 PolarHBondContact O-N 3.03Å; K210-S213 VanDerWaalsContact O-N 3.07Å; K210-E214 WeakPolarHBondContact O-CB 3.38Å; K210-E214 VanDerWaalsContact O-CG 3.31Å; K210-E214 WeakPolarHBondContact O-CG 3.47Å; K210-E214 PolarHBondContact O-N 3.26Å
211	L	93.8	Very high	93.5	Very high	37 Å²	37	47 Å²	47	19%	0.194	25%	0.248	C	C	.	.	H	α-helix	trans	-54.7	-42.2	178.3	172.9	63.5	0	0	0	111.2	M82 N84 N207 R208 S215	M82-L211 HydrophobicContact CG-CD1 4.18Å; M82-L211 HydrophobicContact CG-CD2 4.07Å; M82-L211 HydrophobicContact CG-CG 3.9Å; N84-L211 HydrophobicContact CB-CD1 3.73Å; N84-L211 WeakPolarHBondContact O-CD1 3.41Å; N207-L211 WeakPolarHBondContact O-CB 3.42Å; N207-L211 PolarHBondContact O-N 3.46Å; R208-L211 WeakPolarHBondContact O-CB 3.26Å; R208-L211 PolarHBondContact O-N 2.98Å; L211-S215 WeakPolarHBondContact O-CB 3.44Å; L211-S215 PolarHBondContact O-N 3.45Å; L211-S215 PolarHBondContact O-OG 3.07Å
212	Y	95.3	Very high	93.4	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-53	174.3	-171.9	-71.2	0	0	0	111.4	M82 S108 S121 A188 L189 R208 I209 K210 E214 S215 L216 P223	M82-Y212 HydrophobicContact CE-CD2 4.18Å; S108-Y212 WeakPolarHBondContact CB-OH 3.33Å; S108-Y212 PolarHBondContact OG-OH 3.2Å; S108-Y212 VanDerWaalsContact OG-OH 3.12Å; S121-Y212 VanDerWaalsContact CB-CE1 3.5Å; A188-Y212 WeakPolarHBondContact O-CE2 3.32Å; L189-Y212 HydrophobicContact CD2-CD1 3.49Å; L189-Y212 VanDerWaalsContact CD2-CD1 3.49Å; L189-Y212 HydrophobicContact CD2-CD2 4.2Å; L189-Y212 HydrophobicContact CD2-CE1 3.51Å; L189-Y212 HydrophobicContact CD2-CE2 4.17Å; L189-Y212 HydrophobicContact CD2-CG 3.88Å; L189-Y212 WeakPolarHBondContact O-CB 3.08Å; L189-Y212 WeakPolarHBondContact O-CD2 3.31Å; R208-Y212 PolarHBondContact O-N 3.46Å; I209-Y212 WeakPolarHBondContact O-CB 3.39Å; I209-Y212 PolarHBondContact O-N 3.31Å; K210-Y212 PolarHBondContact O-N 3.44Å; Y212-E214 PolarHBondContact O-N 3.29Å; Y212-S215 WeakPolarHBondContact O-CB 3.36Å; Y212-S215 PolarHBondContact O-N 2.93Å; Y212-L216 PolarHBondContact O-N 2.89Å; Y212-P223 HydrophobicContact CD1-CB 4.48Å; Y212-P223 HydrophobicContact CD1-CG 4.27Å; Y212-P223 HydrophobicContact CD2-CG 3.87Å; Y212-P223 HydrophobicContact CE1-CB 4.48Å; Y212-P223 HydrophobicContact CE1-CG 3.93Å; Y212-P223 HydrophobicContact CE2-CG 3.53Å; Y212-P223 HydrophobicContact CG-CB 4.47Å; Y212-P223 HydrophobicContact CG-CG 4.23Å
213	S	92.3	Very high	93.3	Very high	35 Å²	35	44.3 Å²	44.3	25%	0.245	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-41.6	-178.2	-70.9	0	0	0	0	112.7	S121 I209 K210 L216 A217	S121-S213 PolarHBondContact O-OG 3.26Å; I209-S213 PolarHBondContact O-N 3.13Å; K210-S213 PolarHBondContact O-N 3.03Å; K210-S213 VanDerWaalsContact O-N 3.07Å; S213-L216 PolarHBondContact O-N 3.37Å; S213-A217 WeakPolarHBondContact O-CB 3.42Å; S213-A217 PolarHBondContact O-N 3.05Å
214	E	92.1	Very high	93.3	Very high	105 Å²	105	42.7 Å²	42.7	49%	0.491	22%	0.222	S	C	.	.	H	α-helix	trans	-66.7	-39.2	176.3	-68.8	173	-174.3	0	0	112.1	N84 K210 Y212 A217 R218	N84-E214 VanDerWaalsContact ND2-C 3.32Å; N84-E214 WeakPolarHBondContact ND2-CB 3.12Å; N84-E214 PolarHBondContact ND2-O 2.91Å; K210-E214 WeakPolarHBondContact O-CB 3.38Å; K210-E214 VanDerWaalsContact O-CG 3.31Å; K210-E214 WeakPolarHBondContact O-CG 3.47Å; K210-E214 PolarHBondContact O-N 3.26Å; Y212-E214 PolarHBondContact O-N 3.29Å; E214-A217 PolarHBondContact O-N 2.89Å; E214-R218 PolarHBondContact O-N 2.75Å
215	S	93.8	Very high	93.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-42.5	175.7	-69	0	0	0	0	111.2	M82 N84 L211 Y212 R218 P223	M82-S215 WeakPolarHBondContact CG-OG 3.49Å; M82-S215 VanDerWaalsContact SD-CB 3.53Å; M82-S215 PolarHBondContact SD-OG 2.82Å; M82-S215 VanDerWaalsContact SD-OG 3.38Å; N84-S215 WeakPolarHBondContact CB-OG 3.44Å; N84-S215 PolarHBondContact N-OG 3.45Å; L211-S215 WeakPolarHBondContact O-CB 3.44Å; L211-S215 PolarHBondContact O-N 3.45Å; L211-S215 PolarHBondContact O-OG 3.07Å; Y212-S215 WeakPolarHBondContact O-CB 3.36Å; Y212-S215 PolarHBondContact O-N 2.93Å; S215-R218 PolarHBondContact O-N 3Å; S215-P223 VanDerWaalsContact CB-CB 3.46Å
216	L	91.6	Very high	93.4	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-45.7	173.6	178.4	68.1	0	0	0	111.2	S121 T122 Y212 S213 R218 Y219 G220 K221 S222 P223	S121-L216 WeakPolarHBondContact OG-CD2 3.2Å; T122-L216 HydrophobicContact CG2-CD2 4.33Å; Y212-L216 PolarHBondContact O-N 2.89Å; S213-L216 PolarHBondContact O-N 3.37Å; L216-R218 PolarHBondContact O-N 2.97Å; L216-R218 VanDerWaalsContact O-N 3.12Å; L216-Y219 PolarHBondContact O-N 2.7Å; L216-G220 WeakPolarHBondContact O-CA 3.3Å; L216-G220 PolarHBondContact O-N 3.38Å; L216-K221 VanDerWaalsContact CD1-C 3.47Å; L216-S222 VanDerWaalsContact CD1-CA 3.44Å; L216-P223 HydrophobicContact CB-CB 4.34Å
217	A	89.8	Confident	93.4	Very high	83 Å²	83	38.5 Å²	38.5	69%	0.686	20%	0.202	S	C	*	.	H	α-helix	trans	-58.4	-28.9	-177.2	0	0	0	0	0	112.7	S213 E214	S213-A217 WeakPolarHBondContact O-CB 3.42Å; S213-A217 PolarHBondContact O-N 3.05Å; E214-A217 PolarHBondContact O-N 2.89Å
218	R	87.8	Confident	93.5	Very high	141 Å²	141	37.7 Å²	37.7	53%	0.532	20%	0.198	S	C	.	.	H	α-helix	trans	-66.4	-35.8	176.4	-176.3	173.5	-79.4	-176.5	-1.8	113.5	A83 N84 E214 S215 L216	A83-R218 PolarHBondContact O-NH1 3.26Å; N84-R218 PolarHBondContact OD1-NE 3.27Å; N84-R218 VanDerWaalsContact OD1-NE 3.08Å; N84-R218 PolarHBondContact OD1-NH1 2.93Å; N84-R218 PolarHBondContact OD1-NH2 2.83Å; E214-R218 PolarHBondContact O-N 2.75Å; S215-R218 PolarHBondContact O-N 3Å; L216-R218 PolarHBondContact O-N 2.97Å; L216-R218 VanDerWaalsContact O-N 3.12Å
219	Y	87.3	Confident	93.6	Very high	96 Å²	96	40.9 Å²	40.9	38%	0.376	21%	0.211	S	C	.	.	H	α-helix	trans	-126.3	-10.8	-169.2	-64.6	-65.9	0	0	0	115.5	A83 V104 L216 K221 L225	A83-Y219 HydrophobicContact CB-CD2 3.55Å; A83-Y219 HydrophobicContact CB-CE2 3.37Å; V104-Y219 HydrophobicContact CG1-CG 4.41Å; V104-Y219 HydrophobicContact CG2-CD1 3.45Å; V104-Y219 VanDerWaalsContact CG2-CD1 3.45Å; V104-Y219 HydrophobicContact CG2-CD2 4.31Å; V104-Y219 HydrophobicContact CG2-CE1 4.14Å; V104-Y219 HydrophobicContact CG2-CG 3.55Å; L216-Y219 PolarHBondContact O-N 2.7Å; Y219-K221 PolarHBondContact O-N 2.85Å; Y219-L225 HydrophobicContact CD2-CD2 4.05Å; Y219-L225 HydrophobicContact CE1-CD2 4.41Å; Y219-L225 HydrophobicContact CE2-CD1 3.98Å; Y219-L225 HydrophobicContact CE2-CD2 3.71Å; Y219-L225 HydrophobicContact CE2-CG 4.08Å
220	G	83.8	Confident	93.6	Very high	54 Å²	54	40.9 Å²	40.9	56%	0.557	21%	0.211	S	C	*	.	S	Bend	trans	75.4	-23	169.3	0	0	0	0	0	117.4	L216	L216-G220 WeakPolarHBondContact O-CA 3.3Å; L216-G220 PolarHBondContact O-N 3.38Å
221	K	88.1	Confident	93.7	Very high	99 Å²	99	39.7 Å²	39.7	43%	0.43	21%	0.206	S	C	.	.	S	Bend	trans	-92.5	-60.8	-177.9	-69.4	-170.4	176.2	-175.7	0	113	V104 E106 L216 Y219	V104-K221 HydrophobicContact CG1-CB 4.08Å; E106-K221 HydrophobicContact CB-CD 4.4Å; E106-K221 HydrophobicContact CG-CD 4.37Å; E106-K221 IonicContact OE1-NZ 3.23Å; E106-K221 PolarHBondContact OE1-NZ 3.34Å; L216-K221 VanDerWaalsContact CD1-C 3.47Å; Y219-K221 PolarHBondContact O-N 2.85Å
222	S	94.9	Very high	93.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.007	20%	0.201	C	C	.	.			trans	-144.1	167.2	174.8	83.8	0	0	0	0	108.4	V105 L216 Y224	V105-S222 WeakPolarHBondContact CB-OG 3.31Å; V105-S222 WeakPolarHBondContact O-CB 3.48Å; V105-S222 PolarHBondContact O-OG 3.19Å; L216-S222 VanDerWaalsContact CD1-CA 3.44Å; S222-Y224 PolarHBondContact O-N 3.23Å; S222-Y224 PolarHBondContact OG-N 3.09Å
223	P	95.9	Very high	93.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-82	7.4	177.3	39.4	-41.5	0	0	0	113.1	M82 A83 Y212 S215 L216	M82-P223 HydrophobicContact SD-CB 3.66Å; M82-P223 HydrophobicContact SD-CG 4.17Å; A83-P223 WeakPolarHBondContact CB-O 3.28Å; A83-P223 PolarHBondContact N-O 3.27Å; Y212-P223 HydrophobicContact CD1-CB 4.48Å; Y212-P223 HydrophobicContact CD1-CG 4.27Å; Y212-P223 HydrophobicContact CD2-CG 3.87Å; Y212-P223 HydrophobicContact CE1-CB 4.48Å; Y212-P223 HydrophobicContact CE1-CG 3.93Å; Y212-P223 HydrophobicContact CE2-CG 3.53Å; Y212-P223 HydrophobicContact CG-CB 4.47Å; Y212-P223 HydrophobicContact CG-CG 4.23Å; S215-P223 VanDerWaalsContact CB-CB 3.46Å; L216-P223 HydrophobicContact CB-CB 4.34Å
224	Y	97.8	Very high	93.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.6	-167.4	-61	-61.8	0	0	0	112.7	F80 L81 M82 V105 L191 S222 Q318	F80-Y224 HydrophobicContact CB-CD1 3.76Å; F80-Y224 HydrophobicContact CB-CG 3.96Å; F80-Y224 HydrophobicContact CD2-CD2 4.49Å; F80-Y224 HydrophobicContact CD2-CG 4.25Å; F80-Y224 HydrophobicContact CG-CG 4.35Å; L81-Y224 CarbonylContact O-C 3.51Å; L81-Y224 WeakPolarHBondContact O-CA 3.34Å; M82-Y224 HydrophobicContact CE-CE1 3.91Å; V105-Y224 PolarHBondContact N-O 2.97Å; L191-Y224 HydrophobicContact CD1-CE1 4.3Å; L191-Y224 WeakPolarHBondContact CD2-OH 3.32Å; S222-Y224 PolarHBondContact O-N 3.23Å; S222-Y224 PolarHBondContact OG-N 3.09Å; Y224-Q318 HydrophobicContact CD2-CB 4.05Å; Y224-Q318 HydrophobicContact CE2-CB 3.77Å; Y224-Q318 HydrophobicContact CE2-CG 3.84Å; Y224-Q318 PolarHBondContact OH-NE2 3.23Å; Y224-Q318 VanDerWaalsContact OH-NE2 3.12Å
225	L	98.1	Very high	93.8	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	151.2	170.4	-61.2	176	0	0	0	109.9	L81 A83 V88 F102 K103 V104 Y219	L81-L225 HydrophobicContact CB-CB 4.23Å; L81-L225 WeakPolarHBondContact CD1-O 3.25Å; L81-L225 PolarHBondContact N-O 2.97Å; L81-L225 PolarHBondContact O-N 3.42Å; A83-L225 HydrophobicContact CB-CD1 4.39Å; A83-L225 HydrophobicContact CB-CG 4.32Å; V88-L225 HydrophobicContact CG2-CD1 4.43Å; F102-L225 HydrophobicContact CB-CB 4.41Å; F102-L225 HydrophobicContact CB-CD1 4.48Å; F102-L225 HydrophobicContact CD1-CB 4.21Å; K103-L225 WeakPolarHBondContact O-CA 3.37Å; V104-L225 HydrophobicContact CB-CD2 4.43Å; V104-L225 HydrophobicContact CG2-CD2 3.82Å; Y219-L225 HydrophobicContact CD2-CD2 4.05Å; Y219-L225 HydrophobicContact CE1-CD2 4.41Å; Y219-L225 HydrophobicContact CE2-CD1 3.98Å; Y219-L225 HydrophobicContact CE2-CD2 3.71Å; Y219-L225 HydrophobicContact CE2-CG 4.08Å
226	Y	98.3	Very high	93.6	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.4	171.7	-170.4	-98.9	0	0	0	109.5	D75 F80 K103 L231 I337 H341 V343	D75-Y226 PolarHBondContact OD2-OH 3.48Å; F80-Y226 AromaticContact CD1-CD2 3.68Å; F80-Y226 HydrophobicContact CD1-CD2 3.68Å; F80-Y226 HydrophobicContact CD1-CG 4.12Å; F80-Y226 AromaticContact CE1-CD2 3.83Å; F80-Y226 HydrophobicContact CE1-CD2 3.83Å; F80-Y226 HydrophobicContact CE1-CG 4.07Å; K103-Y226 PolarHBondContact N-O 2.88Å; K103-Y226 PolarHBondContact O-N 2.84Å; Y226-L231 HydrophobicContact CD2-CD2 4.4Å; Y226-L231 HydrophobicContact CE2-CD1 4.39Å; Y226-L231 HydrophobicContact CE2-CD2 4.11Å; Y226-L231 HydrophobicContact CE2-CG 3.84Å; Y226-I337 HydrophobicContact CD1-CG2 3.85Å; Y226-I337 HydrophobicContact CD2-CG2 4.48Å; Y226-I337 HydrophobicContact CE1-CB 4.34Å; Y226-I337 HydrophobicContact CE1-CG1 4.22Å; Y226-I337 HydrophobicContact CE1-CG2 3.91Å; Y226-I337 HydrophobicContact CG-CG2 4.11Å; Y226-H341 HydrophobicContact CD1-CB 4.22Å; Y226-H341 AromaticContact CD1-CD2 3.7Å; Y226-H341 HydrophobicContact CE1-CB 4.44Å; Y226-V343 HydrophobicContact CE1-CG1 4.05Å
227	P	97.9	Very high	93.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	142.3	179.4	27.6	-34.3	0	0	0	111.4	D101 F102 G230 L231	D101-P227 CarbonylContact O-C 3.59Å; D101-P227 WeakPolarHBondContact O-CA 3.38Å; F102-P227 HydrophobicContact CD1-CB 4.25Å; F102-P227 HydrophobicContact CE1-CB 4.06Å; F102-P227 HydrophobicContact CE1-CG 4.44Å; P227-G230 VanDerWaalsContact CG-O 3.24Å; P227-G230 WeakPolarHBondContact CG-O 3.44Å; P227-G230 PolarHBondContact O-N 3.28Å; P227-L231 HydrophobicContact CG-CD2 3.92Å
228	L	98.2	Very high	93.8	Very high	40 Å²	40	34.3 Å²	34.3	21%	0.209	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	143.1	162.6	-63.2	-176.7	0	0	0	108.6	D101 K103 G230 H341	D101-L228 HydrophobicContact CB-CB 4.36Å; D101-L228 HydrophobicContact CB-CD1 3.8Å; D101-L228 HydrophobicContact CB-CG 4.15Å; D101-L228 PolarHBondContact O-N 3.24Å; K103-L228 HydrophobicContact CB-CD2 3.95Å; K103-L228 HydrophobicContact CD-CD2 4.12Å; L228-G230 PolarHBondContact O-N 3.38Å; L228-H341 CarbonylContact C-O 3.59Å; L228-H341 WeakPolarHBondContact CA-O 3.28Å
229	Y	97.9	Very high	93.8	Very high	111 Å²	111	28 Å²	28	44%	0.435	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	7	-175.1	-45.8	-78.7	0	0	0	115.5	N73 H341 N342	N73-Y229 VanDerWaalsContact CB-O 3.26Å; N73-Y229 WeakPolarHBondContact CB-O 3.28Å; Y229-H341 PolarHBondContact N-O 3.3Å; 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 3.32Å; Y229-N342 HydrophobicContact CG-CB 4.18Å; Y229-N342 PolarHBondContact OH-ND2 2.67Å
230	G	97.4	Very high	94	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.			trans	88.5	177.7	172.4	0	0	0	0	0	114.2	P227 L228 G232 E233	P227-G230 VanDerWaalsContact CG-O 3.24Å; P227-G230 WeakPolarHBondContact CG-O 3.44Å; P227-G230 PolarHBondContact O-N 3.28Å; L228-G230 PolarHBondContact O-N 3.38Å; G230-G232 PolarHBondContact O-N 3.08Å; G230-E233 PolarHBondContact O-N 3.12Å
231	L	96.8	Very high	94.3	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.052	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.5	-174.5	-65.6	174.4	0	0	0	113.2	D75 I77 K79 L81 Y226 P227 E233 L234 P235 F410	D75-L231 PolarHBondContact OD1-N 2.98Å; D75-L231 VanDerWaalsContact OD1-N 3.17Å; D75-L231 VanDerWaalsContact OD2-CB 3.22Å; D75-L231 WeakPolarHBondContact OD2-CB 3.5Å; D75-L231 WeakPolarHBondContact OD2-CG 3.3Å; D75-L231 PolarHBondContact OD2-N 3.45Å; I77-L231 WeakPolarHBondContact O-CD1 3.49Å; K79-L231 HydrophobicContact CB-CD1 4.46Å; L81-L231 HydrophobicContact CD1-CD2 4.41Å; Y226-L231 HydrophobicContact CD2-CD2 4.4Å; Y226-L231 HydrophobicContact CE2-CD1 4.39Å; Y226-L231 HydrophobicContact CE2-CD2 4.11Å; Y226-L231 HydrophobicContact CE2-CG 3.84Å; P227-L231 HydrophobicContact CG-CD2 3.92Å; L231-E233 PolarHBondContact O-N 3.48Å; L231-E233 VanDerWaalsContact O-N 3.12Å; L231-L234 HydrophobicContact CB-CD1 4.42Å; L231-L234 HydrophobicContact CD2-CD1 3.54Å; L231-L234 WeakPolarHBondContact O-CB 3.38Å; L231-L234 PolarHBondContact O-N 3.4Å; L231-P235 WeakPolarHBondContact O-CD 3.23Å; L231-F410 HydrophobicContact CD1-CE2 4.27Å; L231-F410 HydrophobicContact CD1-CZ 3.71Å; L231-F410 HydrophobicContact CD2-CE2 3.73Å; L231-F410 HydrophobicContact CD2-CZ 3.76Å; L231-F410 HydrophobicContact CG-CZ 4.38Å
232	G	94.6	Very high	94.1	Very high	9 Å²	9	23.5 Å²	23.5	9%	0.093	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.4	172.8	0	0	0	0	0	113.9	G230 L234 Q236	G230-G232 PolarHBondContact O-N 3.08Å; G232-L234 VanDerWaalsContact C-N 3.33Å; G232-Q236 WeakPolarHBondContact O-CG 3.37Å; G232-Q236 PolarHBondContact O-NE2 2.98Å
233	E	95.1	Very high	93.7	Very high	53 Å²	53	26.4 Å²	26.4	25%	0.248	13%	0.13	C	C	.	.	H	α-helix	trans	-70.4	-27.5	175	-65.9	-60.4	96	0	0	112.8	L100 G230 L231 Q236 G237	L100-E233 HydrophobicContact CD2-CB 3.68Å; L100-E233 WeakPolarHBondContact CD2-O 3.44Å; G230-E233 PolarHBondContact O-N 3.12Å; L231-E233 PolarHBondContact O-N 3.48Å; L231-E233 VanDerWaalsContact O-N 3.12Å; E233-Q236 PolarHBondContact O-N 2.77Å; E233-Q236 PolarHBondContact OE1-NE2 3.23Å; E233-G237 PolarHBondContact O-N 2.78Å
234	L	93.7	Very high	93.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.4	-55	-178.5	-73.1	159.8	0	0	0	111.8	L14 L91 L100 F102 L231 G232 Q236 G237 F238	L14-L234 HydrophobicContact CD1-CB 3.54Å; L14-L234 HydrophobicContact CD1-CD1 3.87Å; L14-L234 HydrophobicContact CD1-CD2 4.46Å; L14-L234 HydrophobicContact CD1-CG 4.18Å; L14-L234 HydrophobicContact CD2-CD1 4.12Å; L91-L234 HydrophobicContact CD1-CD2 3.93Å; L91-L234 HydrophobicContact CD2-CD2 3.86Å; L100-L234 HydrophobicContact CD1-CD2 3.55Å; L100-L234 HydrophobicContact CD1-CG 4.49Å; F102-L234 HydrophobicContact CZ-CD2 4.44Å; L231-L234 HydrophobicContact CB-CD1 4.42Å; L231-L234 HydrophobicContact CD2-CD1 3.54Å; L231-L234 WeakPolarHBondContact O-CB 3.38Å; L231-L234 PolarHBondContact O-N 3.4Å; G232-L234 VanDerWaalsContact C-N 3.33Å; L234-Q236 VanDerWaalsContact C-N 3.26Å; L234-Q236 PolarHBondContact O-N 2.96Å; L234-G237 PolarHBondContact O-N 2.85Å; L234-F238 VanDerWaalsContact O-CD2 3.29Å; L234-F238 WeakPolarHBondContact O-CD2 3.42Å; L234-F238 PolarHBondContact O-N 3.16Å
235	P	91.6	Very high	92.9	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-54.3	-40.4	173.1	-28.9	36.2	0	0	0	113.5	Y39 L231 F238 A239	Y39-P235 HydrophobicContact CD1-CB 4.38Å; Y39-P235 HydrophobicContact CG-CB 4.38Å; L231-P235 WeakPolarHBondContact O-CD 3.23Å; P235-F238 PolarHBondContact O-N 2.93Å; P235-A239 WeakPolarHBondContact O-CB 3.36Å; P235-A239 PolarHBondContact O-N 3.43Å
236	Q	89.8	Confident	92.2	Very high	91 Å²	91	36.5 Å²	36.5	43%	0.425	19%	0.191	S	C	.	.	H	α-helix	trans	-64.5	-44.2	178.5	-69	176.3	65.7	0	0	112.1	Y39 G232 E233 L234 F238 A239 R240	Y39-Q236 HydrophobicContact CD2-CG 3.95Å; Y39-Q236 HydrophobicContact CE2-CG 4.36Å; G232-Q236 WeakPolarHBondContact O-CG 3.37Å; G232-Q236 PolarHBondContact O-NE2 2.98Å; E233-Q236 PolarHBondContact O-N 2.77Å; E233-Q236 PolarHBondContact OE1-NE2 3.23Å; L234-Q236 VanDerWaalsContact C-N 3.26Å; L234-Q236 PolarHBondContact O-N 2.96Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 3.4Å; Q236-A239 PolarHBondContact O-N 3.34Å; Q236-R240 PolarHBondContact O-N 2.91Å
237	G	93.1	Very high	91.6	Very high	4 Å²	4	36.9 Å²	36.9	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-43.2	174.9	0	0	0	0	0	111.7	V96 E233 L234 R240 L241	V96-G237 WeakPolarHBondContact CG2-O 3.42Å; E233-G237 PolarHBondContact O-N 2.78Å; L234-G237 PolarHBondContact O-N 2.85Å; G237-R240 PolarHBondContact O-N 3.48Å; G237-L241 WeakPolarHBondContact O-CB 3.34Å; G237-L241 PolarHBondContact O-N 3Å
238	F	91.8	Very high	91.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69.8	-36.8	176.9	-84.5	-68.8	0	0	0	113.7	C17 I18 L91 T94 V96 L234 P235 Q236 R240 L241 S242	C17-F238 HydrophobicContact CB-CB 3.76Å; C17-F238 HydrophobicContact CB-CD2 4.16Å; C17-F238 HydrophobicContact CB-CG 4.11Å; C17-F238 VanDerWaalsContact O-CD1 3.3Å; C17-F238 WeakPolarHBondContact O-CD1 3.5Å; C17-F238 WeakPolarHBondContact O-CG 3.27Å; I18-F238 HydrophobicContact CB-CE2 4.32Å; I18-F238 HydrophobicContact CB-CZ 4.08Å; I18-F238 HydrophobicContact CD1-CE2 4.43Å; I18-F238 HydrophobicContact CG1-CD2 4.12Å; I18-F238 HydrophobicContact CG1-CE1 4.32Å; I18-F238 HydrophobicContact CG1-CE2 3.35Å; I18-F238 HydrophobicContact CG1-CZ 3.47Å; I18-F238 VanDerWaalsContact CG1-CZ 3.47Å; I18-F238 HydrophobicContact CG2-CZ 4.38Å; L91-F238 HydrophobicContact CD2-CE2 3.56Å; L91-F238 HydrophobicContact CD2-CZ 3.64Å; T94-F238 HydrophobicContact CG2-CE1 4.07Å; V96-F238 HydrophobicContact CB-CE1 4.34Å; V96-F238 HydrophobicContact CB-CZ 4.37Å; V96-F238 HydrophobicContact CG1-CE1 4.22Å; V96-F238 HydrophobicContact CG1-CE2 4.04Å; V96-F238 HydrophobicContact CG1-CZ 3.78Å; V96-F238 HydrophobicContact CG2-CD1 4.4Å; V96-F238 HydrophobicContact CG2-CD2 4.36Å; V96-F238 HydrophobicContact CG2-CE2 4.49Å; V96-F238 HydrophobicContact CG2-CG 4.3Å; L234-F238 VanDerWaalsContact O-CD2 3.29Å; L234-F238 WeakPolarHBondContact O-CD2 3.42Å; L234-F238 PolarHBondContact O-N 3.16Å; P235-F238 PolarHBondContact O-N 2.93Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 3.4Å; F238-R240 VanDerWaalsContact C-N 3.32Å; F238-R240 PolarHBondContact O-N 2.95Å; F238-L241 HydrophobicContact CD1-CD2 4.09Å; F238-L241 HydrophobicContact CE1-CD2 4.24Å; F238-L241 PolarHBondContact O-N 3.37Å; F238-S242 WeakPolarHBondContact O-CB 3.36Å; F238-S242 PolarHBondContact O-N 3.22Å
239	A	88.2	Confident	91	Very high	8 Å²	8	39.2 Å²	39.2	7%	0.066	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-44.9	172.4	0	0	0	0	0	111	Y39 P235 Q236 S242 A243 Y249	Y39-A239 HydrophobicContact CE1-CB 3.96Å; P235-A239 WeakPolarHBondContact O-CB 3.36Å; P235-A239 PolarHBondContact O-N 3.43Å; Q236-A239 PolarHBondContact O-N 3.34Å; A239-S242 PolarHBondContact O-N 3.1Å; A239-A243 PolarHBondContact O-N 2.71Å; A239-Y249 HydrophobicContact CB-CD1 3.6Å; A239-Y249 HydrophobicContact CB-CD2 4.39Å; A239-Y249 HydrophobicContact CB-CE1 3.59Å; A239-Y249 HydrophobicContact CB-CE2 4.46Å; A239-Y249 HydrophobicContact CB-CG 3.97Å
240	R	90.4	Very high	90.9	Very high	150 Å²	150	36.1 Å²	36.1	57%	0.566	20%	0.197	S	C	*	.	H	α-helix	trans	-62.4	-45.9	174.5	-177.2	176.7	-177.7	175.1	0.5	112.1	Y99 Q236 G237 F238 A243 I244	Y99-R240 VanDerWaalsContact CE1-CZ 3.46Å; Y99-R240 HydrophobicContact CE2-CG 4.22Å; Q236-R240 PolarHBondContact O-N 2.91Å; G237-R240 PolarHBondContact O-N 3.48Å; F238-R240 VanDerWaalsContact C-N 3.32Å; F238-R240 PolarHBondContact O-N 2.95Å; R240-A243 PolarHBondContact O-N 2.8Å; R240-I244 WeakPolarHBondContact O-CG1 3.34Å; R240-I244 PolarHBondContact O-N 2.81Å
241	L	89.8	Confident	90.8	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-49.9	177.4	-179.8	70.6	0	0	0	110.7	V25 T94 V96 G237 F238 A243 I244 Y245	V25-L241 HydrophobicContact CG2-CD2 4.25Å; T94-L241 HydrophobicContact CG2-CD2 4.47Å; T94-L241 WeakPolarHBondContact O-CD1 3.3Å; T94-L241 VanDerWaalsContact O-CD2 3.25Å; T94-L241 WeakPolarHBondContact O-CD2 3.4Å; V96-L241 HydrophobicContact CB-CD2 4.46Å; G237-L241 WeakPolarHBondContact O-CB 3.34Å; G237-L241 PolarHBondContact O-N 3Å; F238-L241 HydrophobicContact CD1-CD2 4.09Å; F238-L241 HydrophobicContact CE1-CD2 4.24Å; F238-L241 PolarHBondContact O-N 3.37Å; L241-A243 VanDerWaalsContact C-N 3.26Å; L241-A243 PolarHBondContact O-N 2.9Å; L241-I244 WeakPolarHBondContact O-CB 3.41Å; L241-I244 PolarHBondContact O-N 3.29Å; L241-I244 VanDerWaalsContact O-N 3.09Å; L241-Y245 HydrophobicContact CD1-CD2 4.19Å; L241-Y245 HydrophobicContact CD1-CE2 3.77Å; L241-Y245 HydrophobicContact CG-CD2 4.42Å; L241-Y245 HydrophobicContact CG-CE2 4.41Å; L241-Y245 WeakPolarHBondContact O-CD2 3.26Å; L241-Y245 PolarHBondContact O-N 3.31Å
242	S	85.5	Confident	90.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-37.6	-179.3	-167.2	0	0	0	0	112.1	S24 F238 A239 I244 Y245 G246 G247 Y249	S24-S242 PolarHBondContact OG-OG 3.29Å; S24-S242 VanDerWaalsContact OG-OG 3.06Å; F238-S242 WeakPolarHBondContact O-CB 3.36Å; F238-S242 PolarHBondContact O-N 3.22Å; A239-S242 PolarHBondContact O-N 3.1Å; S242-I244 VanDerWaalsContact C-N 3.31Å; S242-I244 PolarHBondContact O-N 3.36Å; S242-Y245 CarbonylContact O-C 3.53Å; S242-Y245 PolarHBondContact O-N 3.29Å; S242-G246 PolarHBondContact O-N 3.35Å; S242-G247 WeakPolarHBondContact O-CA 3.46Å; S242-G247 PolarHBondContact O-N 2.69Å; S242-Y249 WeakPolarHBondContact OG-CE2 3.48Å
243	A	85.5	Confident	90.9	Very high	61 Å²	61	43.8 Å²	43.8	50%	0.504	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-35.1	176.2	0	0	0	0	0	113	A239 R240 L241 Y245 G246 G247	A239-A243 PolarHBondContact O-N 2.71Å; R240-A243 PolarHBondContact O-N 2.8Å; L241-A243 VanDerWaalsContact C-N 3.26Å; L241-A243 PolarHBondContact O-N 2.9Å; A243-Y245 VanDerWaalsContact C-N 3.27Å; A243-Y245 PolarHBondContact O-N 2.95Å; A243-G246 PolarHBondContact O-N 3.38Å; A243-G246 VanDerWaalsContact O-N 3.14Å; A243-G247 WeakPolarHBondContact CA-O 3.33Å
244	I	88.9	Confident	91	Very high	103 Å²	103	44 Å²	44	53%	0.528	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-35.9	176.6	-69.2	166.3	0	0	0	111.4	Y99 R240 L241 S242 G246	Y99-I244 WeakPolarHBondContact OH-CD1 3.32Å; R240-I244 WeakPolarHBondContact O-CG1 3.34Å; R240-I244 PolarHBondContact O-N 2.81Å; L241-I244 WeakPolarHBondContact O-CB 3.41Å; L241-I244 PolarHBondContact O-N 3.29Å; L241-I244 VanDerWaalsContact O-N 3.09Å; S242-I244 VanDerWaalsContact C-N 3.31Å; S242-I244 PolarHBondContact O-N 3.36Å; I244-G246 VanDerWaalsContact C-N 3.27Å; I244-G246 PolarHBondContact O-N 2.91Å
245	Y	87.8	Confident	91.2	Very high	65 Å²	65	45.8 Å²	45.8	26%	0.255	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	12.7	177.9	-73.2	-91	0	0	0	113.1	V25 L241 S242 A243 F442	V25-Y245 HydrophobicContact CG2-CD2 4.34Å; V25-Y245 HydrophobicContact CG2-CE1 4.47Å; V25-Y245 HydrophobicContact CG2-CE2 3.86Å; L241-Y245 HydrophobicContact CD1-CD2 4.19Å; L241-Y245 HydrophobicContact CD1-CE2 3.77Å; L241-Y245 HydrophobicContact CG-CD2 4.42Å; L241-Y245 HydrophobicContact CG-CE2 4.41Å; L241-Y245 WeakPolarHBondContact O-CD2 3.26Å; L241-Y245 PolarHBondContact O-N 3.31Å; S242-Y245 CarbonylContact O-C 3.53Å; S242-Y245 PolarHBondContact O-N 3.29Å; A243-Y245 VanDerWaalsContact C-N 3.27Å; A243-Y245 PolarHBondContact O-N 2.95Å; Y245-F442 AromaticContact CE1-CZ 3.94Å; Y245-F442 HydrophobicContact CE1-CZ 3.94Å; Y245-F442 WeakPolarHBondContact OH-CZ 3.49Å
246	G	83.3	Confident	91.4	Very high	52 Å²	52	50.5 Å²	50.5	54%	0.536	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	8.8	177	0	0	0	0	0	115.2	S242 A243 I244	S242-G246 PolarHBondContact O-N 3.35Å; A243-G246 PolarHBondContact O-N 3.38Å; A243-G246 VanDerWaalsContact O-N 3.14Å; I244-G246 VanDerWaalsContact C-N 3.27Å; I244-G246 PolarHBondContact O-N 2.91Å
247	G	86.3	Confident	91.8	Very high	8 Å²	8	51.1 Å²	51.1	8%	0.082	28%	0.276	C	S	.	.			trans	-71.9	148.6	171.1	0	0	0	0	0	112	V30 S242 A243	V30-G247 CarbonylContact O-C 3.56Å; V30-G247 WeakPolarHBondContact O-CA 3.37Å; S242-G247 WeakPolarHBondContact O-CA 3.46Å; S242-G247 PolarHBondContact O-N 2.69Å; A243-G247 WeakPolarHBondContact CA-O 3.33Å
248	T	90.5	Very high	92	Very high	51 Å²	51	52.5 Å²	52.5	31%	0.313	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.5	-177.6	-58.8	0	0	0	0	110.4	V30 L31 H32 M250	V30-T248 PolarHBondContact O-N 3.16Å; L31-T248 HydrophobicContact CD1-CG2 4.17Å; H32-T248 PolarHBondContact N-O 3.22Å; T248-M250 HydrophobicContact CG2-CE 3.48Å; T248-M250 VanDerWaalsContact CG2-CE 3.48Å; T248-M250 HydrophobicContact CG2-CG 4.14Å
249	Y	93.5	Very high	92.3	Very high	39 Å²	39	53.9 Å²	53.9	15%	0.153	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.2	174.6	-89.7	-114.4	0	0	0	110.9	T12 S20 H32 Y39 A239 S242	T12-Y249 HydrophobicContact CG2-CD1 4.46Å; T12-Y249 HydrophobicContact CG2-CE1 4.33Å; S20-Y249 PolarHBondContact OG-OH 3.28Å; S20-Y249 VanDerWaalsContact OG-OH 3.13Å; H32-Y249 HydrophobicContact CB-CD1 4Å; H32-Y249 HydrophobicContact CB-CD2 3.68Å; H32-Y249 HydrophobicContact CB-CE1 3.96Å; H32-Y249 HydrophobicContact CB-CE2 3.52Å; H32-Y249 HydrophobicContact CB-CG 3.93Å; H32-Y249 AromaticContact CD2-CE1 3.93Å; H32-Y249 AromaticContact CE1-CE1 3.76Å; H32-Y249 AromaticContact CE1-CZ 3.71Å; H32-Y249 PolarHBondContact CE1-OH 3.34Å; H32-Y249 AromaticContact CG-CD1 3.96Å; H32-Y249 AromaticContact CG-CE1 3.53Å; H32-Y249 AromaticContact CG-CE2 3.81Å; H32-Y249 AromaticContact CG-CZ 3.47Å; H32-Y249 VanDerWaalsContact CG-CZ 3.47Å; H32-Y249 AromaticContact ND1-CE1 3.44Å; H32-Y249 WeakPolarHBondContact ND1-CE1 3.32Å; H32-Y249 AromaticContact ND1-CE2 3.67Å; H32-Y249 AromaticContact ND1-CZ 3.06Å; H32-Y249 PolarHBondContact ND1-OH 2.99Å; H32-Y249 CarbonylContact O-C 3.57Å; H32-Y249 VanDerWaalsContact O-CA 3.26Å; H32-Y249 WeakPolarHBondContact O-CA 3.19Å; Y39-Y249 AromaticContact CE1-CD1 3.89Å; Y39-Y249 HydrophobicContact CE1-CD1 3.89Å; Y39-Y249 HydrophobicContact CE1-CE1 4.33Å; A239-Y249 HydrophobicContact CB-CD1 3.6Å; A239-Y249 HydrophobicContact CB-CD2 4.39Å; A239-Y249 HydrophobicContact CB-CE1 3.59Å; A239-Y249 HydrophobicContact CB-CE2 4.46Å; A239-Y249 HydrophobicContact CB-CG 3.97Å; S242-Y249 WeakPolarHBondContact OG-CE2 3.48Å
250	M	95.1	Very high	92.7	Very high	46 Å²	46	56.4 Å²	56.4	23%	0.227	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	105.6	179.8	-58.7	-167.4	179.7	0	0	110.8	M1 L31 H32 M33 D34 T248 K253	M1-M250 HydrophobicContact CG-CE 3.46Å; M1-M250 VanDerWaalsContact CG-CE 3.46Å; M1-M250 HydrophobicContact CG-SD 3.79Å; M1-M250 HydrophobicContact SD-SD 4.12Å; L31-M250 HydrophobicContact CD1-CE 4.07Å; L31-M250 HydrophobicContact CD1-CG 4.28Å; L31-M250 HydrophobicContact CD1-SD 4.21Å; H32-M250 PolarHBondContact O-N 3.27Å; M33-M250 CarbonylContact C-O 3.48Å; M33-M250 VanDerWaalsContact CA-O 3.31Å; M33-M250 WeakPolarHBondContact CA-O 3.35Å; M33-M250 HydrophobicContact CG-CB 4.24Å; D34-M250 PolarHBondContact N-O 2.9Å; T248-M250 HydrophobicContact CG2-CE 3.48Å; T248-M250 VanDerWaalsContact CG2-CE 3.48Å; T248-M250 HydrophobicContact CG2-CG 4.14Å; M250-K253 HydrophobicContact CB-CB 4.03Å; M250-K253 HydrophobicContact CB-CG 4.19Å; M250-K253 HydrophobicContact SD-CG 4.49Å
251	L	96.2	Very high	93	Very high	54 Å²	54	53.8 Å²	53.8	28%	0.283	30%	0.296	S	S	.	.	S	Bend	trans	-85.1	165.4	169.4	-64.2	-177.4	0	0	0	111	T12 D34 Y39 K253	T12-L251 HydrophobicContact CG2-CD2 4.12Å; D34-L251 HydrophobicContact CB-CD2 3.65Å; D34-L251 CarbonylContact O-C 3.55Å; Y39-L251 HydrophobicContact CD1-CD1 4.36Å; Y39-L251 HydrophobicContact CD1-CD2 3.93Å; Y39-L251 HydrophobicContact CD2-CD1 4.01Å; Y39-L251 HydrophobicContact CE1-CD1 4.08Å; Y39-L251 HydrophobicContact CE1-CD2 3.83Å; Y39-L251 HydrophobicContact CE1-CG 4.12Å; Y39-L251 HydrophobicContact CE2-CD1 3.72Å; Y39-L251 HydrophobicContact CG-CD1 4.32Å; Y39-L251 HydrophobicContact CG-CD2 4.48Å; L251-K253 PolarHBondContact O-N 3.27Å
252	N	96.8	Very high	93.2	Very high	104 Å²	104	61.3 Å²	61.3	56%	0.556	34%	0.336	S	S	*	.	S	Bend	trans	52.3	36.8	-179.5	-166.7	56.4	0	0	0	112.2	D34 N36 P37	D34-N252 PolarHBondContact O-N 2.96Å; N36-N252 PolarHBondContact O-N 3.01Å; P37-N252 HydrophobicContact CB-CB 4.16Å
253	K	96.8	Very high	93.6	Very high	22 Å²	22	63.7 Å²	63.7	10%	0.096	36%	0.361	C	S	.	.			trans	-117.5	97	-173.6	-168.9	60.1	164.4	155.2	0	108.7	M1 M33 D34 M250 L251 S270 E271	M1-K253 VanDerWaalsContact CE-CE 3.41Å; M33-K253 HydrophobicContact CE-CB 4.4Å; M33-K253 HydrophobicContact CE-CG 3.5Å; D34-K253 PolarHBondContact O-N 3.27Å; M250-K253 HydrophobicContact CB-CB 4.03Å; M250-K253 HydrophobicContact CB-CG 4.19Å; M250-K253 HydrophobicContact SD-CG 4.49Å; L251-K253 PolarHBondContact O-N 3.27Å; K253-S270 VanDerWaalsContact CD-OG 3.3Å; K253-S270 WeakPolarHBondContact CD-OG 3.46Å; K253-S270 WeakPolarHBondContact CE-OG 3.42Å; K253-S270 WeakPolarHBondContact CG-OG 3.22Å; K253-S270 PolarHBondContact NZ-OG 2.91Å; K253-E271 IonicContact NZ-OE1 3.92Å; K253-E271 IonicContact NZ-OE2 3.84Å; K253-E271 PolarHBondContact NZ-OE2 2.59Å
254	P	96.8	Very high	94.1	Very high	58 Å²	58	65.1 Å²	65.1	38%	0.377	36%	0.357	S	S	.	.			trans	-67.3	144.1	-174.6	28	-34.7	0	0	0	111	S270 E271	P254-S270 WeakPolarHBondContact O-CB 3.12Å; P254-S270 PolarHBondContact O-OG 3.16Å; P254-E271 HydrophobicContact CG-CG 4.22Å
255	V	97.2	Very high	94.6	Very high	37 Å²	37	60.5 Å²	60.5	22%	0.224	33%	0.333	C	S	.	.			trans	-98.2	117	172.7	175.1	0	0	0	0	108.1	L10 I258 V268 Y286	L10-V255 HydrophobicContact CD1-CG1 4.31Å; L10-V255 HydrophobicContact CD1-CG2 4.15Å; L10-V255 HydrophobicContact CD2-CG2 3.84Å; V255-I258 HydrophobicContact CG1-CG1 4.5Å; V255-V268 HydrophobicContact CB-CG1 4.43Å; V255-V268 HydrophobicContact CG1-CG1 3.66Å; V255-V268 HydrophobicContact CG2-CG1 4.09Å; V255-Y286 HydrophobicContact CB-CD1 4.19Å; V255-Y286 HydrophobicContact CB-CE1 4.21Å; V255-Y286 HydrophobicContact CG2-CD1 4.01Å; V255-Y286 HydrophobicContact CG2-CE1 3.73Å
256	E	97	Very high	95	Very high	103 Å²	103	58.3 Å²	58.3	48%	0.481	33%	0.327	S	S	.	.			trans	-85.6	-41.4	179.5	-66.4	174.1	-167.6	0	0	111.4	K269 E271 G272	E256-K269 HydrophobicContact CB-CG 4.45Å; E256-K269 PolarHBondContact N-O 3.25Å; E256-K269 VanDerWaalsContact OE2-CE 3.26Å; E256-K269 WeakPolarHBondContact OE2-CE 3.17Å; E256-K269 IonicContact OE2-NZ 2.73Å; E256-E271 WeakPolarHBondContact OE1-CA 3.25Å; E256-E271 PolarHBondContact OE1-N 3.32Å; E256-G272 PolarHBondContact OE1-N 3.38Å
257	E	97.1	Very high	95.7	Very high	103 Å²	103	55.9 Å²	55.9	48%	0.481	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	137.5	-172.8	-175.9	177.9	-169.2	0	0	110.7	K269	E257-K269 HydrophobicContact CB-CB 3.99Å; E257-K269 HydrophobicContact CB-CD 4.43Å; E257-K269 PolarHBondContact O-N 3.04Å
258	I	97.9	Very high	96.3	Very high	34 Å²	34	55.5 Å²	55.5	17%	0.174	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	114	163.4	-63.6	168.1	0	0	0	106.4	L10 V255 M260 V265 L280 I287 I398	L10-I258 HydrophobicContact CD1-CD1 4.41Å; L10-I258 HydrophobicContact CD1-CG1 4.41Å; V255-I258 HydrophobicContact CG1-CG1 4.5Å; I258-M260 HydrophobicContact CG2-SD 3.98Å; I258-V265 HydrophobicContact CG2-CG2 3.74Å; I258-L280 HydrophobicContact CD1-CD2 3.82Å; I258-L280 HydrophobicContact CG1-CD2 4.03Å; I258-L280 HydrophobicContact CG2-CD2 3.69Å; I258-I287 HydrophobicContact CD1-CG2 3.58Å; I258-I398 HydrophobicContact CG2-CD1 4.12Å
259	V	97.8	Very high	96.6	Very high	28 Å²	28	56.1 Å²	56.1	17%	0.17	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.1	-172.5	-172.3	0	0	0	0	109.3	V266 G267 K269 V274	V259-V266 HydrophobicContact CB-CG2 4.04Å; V259-V266 HydrophobicContact CG1-CG2 3.64Å; V259-V266 WeakPolarHBondContact O-CG2 3.35Å; V259-V266 PolarHBondContact O-N 3.23Å; V259-G267 PolarHBondContact N-O 2.7Å; V259-K269 HydrophobicContact CG2-CB 4.36Å; V259-V274 HydrophobicContact CG2-CG1 4.14Å
260	M	97.4	Very high	96.8	Very high	62 Å²	62	54.2 Å²	54.2	31%	0.305	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.2	-178.4	-55.4	-62.7	-72.4	0	0	110.7	I258 G263 H264 V265 I398	I258-M260 HydrophobicContact CG2-SD 3.98Å; M260-G263 VanDerWaalsContact CE-O 3.29Å; M260-G263 WeakPolarHBondContact CE-O 3.36Å; M260-H264 CarbonylContact C-O 3.56Å; M260-H264 VanDerWaalsContact CA-O 3.3Å; M260-H264 WeakPolarHBondContact CA-O 3.48Å; M260-V265 HydrophobicContact SD-CB 3.89Å; M260-V265 HydrophobicContact SD-CG2 4.3Å; M260-I398 HydrophobicContact CE-CD1 3.86Å; M260-I398 HydrophobicContact SD-CD1 3.73Å
261	E	96.9	Very high	96.8	Very high	94 Å²	94	57.6 Å²	57.6	44%	0.439	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.7	169.3	-69.2	171.9	-169.2	0	0	108.2	G263 H264 V266 R276	E261-G263 PolarHBondContact O-N 2.81Å; E261-H264 PolarHBondContact N-O 2.99Å; E261-H264 PolarHBondContact O-N 3.3Å; E261-H264 VanDerWaalsContact O-O 3.14Å; E261-V266 HydrophobicContact CB-CG1 3.76Å; E261-V266 HydrophobicContact CB-CG2 4.24Å; E261-V266 HydrophobicContact CG-CB 4.47Å; E261-V266 HydrophobicContact CG-CG1 4.05Å; E261-V266 HydrophobicContact CG-CG2 3.7Å; E261-R276 IonicContact OE1-NH1 3.89Å; E261-R276 IonicContact OE1-NH2 3.7Å; E261-R276 IonicContact OE2-NH2 3.61Å
262	D	94.2	Very high	96.7	Very high	163 Å²	163	57.7 Å²	57.7	87%	0.872	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	36.5	-179.7	-61.2	-38.6	0	0	0	114.5	H264	D262-H264 VanDerWaalsContact C-N 3.3Å; D262-H264 PolarHBondContact O-CE1 3.06Å; D262-H264 PolarHBondContact O-N 2.95Å; D262-H264 PolarHBondContact O-ND1 2.93Å
263	G	93.2	Very high	96.6	Very high	51 Å²	51	57.7 Å²	57.7	53%	0.526	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-1.2	179.6	0	0	0	0	0	115.5	M260 E261 S396	M260-G263 VanDerWaalsContact CE-O 3.29Å; M260-G263 WeakPolarHBondContact CE-O 3.36Å; E261-G263 PolarHBondContact O-N 2.81Å; G263-S396 WeakPolarHBondContact O-CA 3.49Å
264	H	96.1	Very high	96.6	Very high	90 Å²	90	60 Å²	60	42%	0.417	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147.2	-179.3	-56.9	70.3	0	0	0	110.7	M260 E261 D262 E395 S396	M260-H264 CarbonylContact C-O 3.56Å; M260-H264 VanDerWaalsContact CA-O 3.3Å; M260-H264 WeakPolarHBondContact CA-O 3.48Å; E261-H264 PolarHBondContact N-O 2.99Å; E261-H264 PolarHBondContact O-N 3.3Å; E261-H264 VanDerWaalsContact O-O 3.14Å; D262-H264 VanDerWaalsContact C-N 3.3Å; D262-H264 PolarHBondContact O-CE1 3.06Å; D262-H264 PolarHBondContact O-N 2.95Å; D262-H264 PolarHBondContact O-ND1 2.93Å; H264-E395 PolarHBondContact CD2-O 3.25Å; H264-E395 PolarHBondContact NE2-O 3.03Å; H264-E395 VanDerWaalsContact NE2-O 3.16Å; H264-S396 WeakPolarHBondContact CA-O 3.37Å
265	V	98.1	Very high	96.6	Very high	6 Å²	6	57.3 Å²	57.3	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.7	173.9	68.4	0	0	0	0	110.8	I258 M260 L280 S396 Q397 I398	I258-V265 HydrophobicContact CG2-CG2 3.74Å; M260-V265 HydrophobicContact SD-CB 3.89Å; M260-V265 HydrophobicContact SD-CG2 4.3Å; V265-L280 HydrophobicContact CG1-CB 3.97Å; V265-L280 HydrophobicContact CG2-CB 4.12Å; V265-L280 HydrophobicContact CG2-CD2 4.21Å; V265-S396 PolarHBondContact N-O 2.73Å; V265-Q397 HydrophobicContact CG1-CB 3.86Å; V265-Q397 VanDerWaalsContact CG1-O 3.3Å; V265-Q397 WeakPolarHBondContact CG1-O 3.38Å; V265-I398 HydrophobicContact CB-CD1 4.4Å; V265-I398 HydrophobicContact CB-CG1 3.9Å; V265-I398 HydrophobicContact CG1-CG1 4.13Å
266	V	98	Very high	96.7	Very high	20 Å²	20	60.8 Å²	60.8	12%	0.121	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	-7.9	176.1	-64.4	0	0	0	0	113.6	V259 E261 R276 C277	V259-V266 HydrophobicContact CB-CG2 4.04Å; V259-V266 HydrophobicContact CG1-CG2 3.64Å; V259-V266 WeakPolarHBondContact O-CG2 3.35Å; V259-V266 PolarHBondContact O-N 3.23Å; E261-V266 HydrophobicContact CB-CG1 3.76Å; E261-V266 HydrophobicContact CB-CG2 4.24Å; E261-V266 HydrophobicContact CG-CB 4.47Å; E261-V266 HydrophobicContact CG-CG1 4.05Å; E261-V266 HydrophobicContact CG-CG2 3.7Å; V266-R276 WeakPolarHBondContact O-CA 3.4Å; V266-R276 WeakPolarHBondContact O-CB 3.39Å; V266-C277 CarbonylContact C-O 3.58Å; V266-C277 PolarHBondContact O-N 3.12Å
267	G	97.9	Very high	96.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.1	-179.1	176.7	0	0	0	0	0	114.3	V259 A275	V259-G267 PolarHBondContact N-O 2.7Å; G267-A275 CarbonylContact C-O 3.54Å; G267-A275 WeakPolarHBondContact CA-O 3.44Å
268	V	98.2	Very high	96.8	Very high	1 Å²	1	57 Å²	57	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.9	177	179.5	0	0	0	0	109.2	I8 L10 V255 V274 A275 L280	I8-V268 HydrophobicContact CB-CG2 4.43Å; I8-V268 HydrophobicContact CD1-CB 4.16Å; I8-V268 HydrophobicContact CD1-CG2 4.05Å; I8-V268 HydrophobicContact CG2-CB 4.44Å; I8-V268 HydrophobicContact CG2-CG2 3.82Å; L10-V268 HydrophobicContact CD1-CG1 4.5Å; L10-V268 HydrophobicContact CD1-CG2 4.29Å; L10-V268 HydrophobicContact CD2-CG1 4.29Å; L10-V268 HydrophobicContact CD2-CG2 4.46Å; V255-V268 HydrophobicContact CB-CG1 4.43Å; V255-V268 HydrophobicContact CG1-CG1 3.66Å; V255-V268 HydrophobicContact CG2-CG1 4.09Å; V268-V274 WeakPolarHBondContact O-CA 3.24Å; V268-A275 PolarHBondContact N-O 2.79Å; V268-A275 PolarHBondContact O-N 2.89Å; V268-L280 HydrophobicContact CG2-CD1 3.86Å
269	K	97.6	Very high	96.8	Very high	63 Å²	63	56.8 Å²	56.8	27%	0.274	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.3	176.1	-168.8	-178.4	176.3	-172	0	111	E256 E257 V259 E273 V274	E256-K269 HydrophobicContact CB-CG 4.45Å; E256-K269 PolarHBondContact N-O 3.25Å; E256-K269 VanDerWaalsContact OE2-CE 3.26Å; E256-K269 WeakPolarHBondContact OE2-CE 3.17Å; E256-K269 IonicContact OE2-NZ 2.73Å; E257-K269 HydrophobicContact CB-CB 3.99Å; E257-K269 HydrophobicContact CB-CD 4.43Å; E257-K269 PolarHBondContact O-N 3.04Å; V259-K269 HydrophobicContact CG2-CB 4.36Å; K269-E273 CarbonylContact C-O 3.46Å; K269-E273 VanDerWaalsContact CA-O 3.27Å; K269-E273 WeakPolarHBondContact CA-O 3.44Å; K269-V274 HydrophobicContact CB-CG2 4.08Å; K269-V274 HydrophobicContact CD-CG2 4.47Å; K269-V274 HydrophobicContact CG-CG2 3.97Å
270	S	96.9	Very high	96.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	124.4	178.4	178.4	0	0	0	0	110.8	K253 P254 G272 E273	K253-S270 VanDerWaalsContact CD-OG 3.3Å; K253-S270 WeakPolarHBondContact CD-OG 3.46Å; K253-S270 WeakPolarHBondContact CE-OG 3.42Å; K253-S270 WeakPolarHBondContact CG-OG 3.22Å; K253-S270 PolarHBondContact NZ-OG 2.91Å; P254-S270 WeakPolarHBondContact O-CB 3.12Å; P254-S270 PolarHBondContact O-OG 3.16Å; S270-G272 VanDerWaalsContact C-N 3.27Å; S270-G272 PolarHBondContact O-N 2.82Å; S270-E273 PolarHBondContact N-O 2.9Å; S270-E273 PolarHBondContact O-N 3.19Å
271	E	95.1	Very high	96.9	Very high	116 Å²	116	52.5 Å²	52.5	54%	0.542	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	40.7	179.8	-58.4	175.2	177.6	0	0	112.6	K253 P254 E256 E273	K253-E271 IonicContact NZ-OE1 3.92Å; K253-E271 IonicContact NZ-OE2 3.84Å; K253-E271 PolarHBondContact NZ-OE2 2.59Å; P254-E271 HydrophobicContact CG-CG 4.22Å; E256-E271 WeakPolarHBondContact OE1-CA 3.25Å; E256-E271 PolarHBondContact OE1-N 3.32Å; E271-E273 VanDerWaalsContact C-N 3.25Å; E271-E273 PolarHBondContact O-N 3.17Å
272	G	94	Very high	97	Very high	56 Å²	56	48 Å²	48	58%	0.577	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-7.4	-179.2	0	0	0	0	0	116.3	E256 S270	E256-G272 PolarHBondContact OE1-N 3.38Å; S270-G272 VanDerWaalsContact C-N 3.27Å; S270-G272 PolarHBondContact O-N 2.82Å
273	E	94.6	Very high	97.2	Very high	105 Å²	105	41.5 Å²	41.5	49%	0.491	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	147.5	174.4	-65.5	-174.8	174.5	0	0	111.4	M1 K269 S270 E271	M1-E273 HydrophobicContact CE-CB 4.17Å; M1-E273 PolarHBondContact N-OE2 3.43Å; K269-E273 CarbonylContact C-O 3.46Å; K269-E273 VanDerWaalsContact CA-O 3.27Å; K269-E273 WeakPolarHBondContact CA-O 3.44Å; S270-E273 PolarHBondContact N-O 2.9Å; S270-E273 PolarHBondContact O-N 3.19Å; E271-E273 VanDerWaalsContact C-N 3.25Å; E271-E273 PolarHBondContact O-N 3.17Å
274	V	96.7	Very high	97.4	Very high	71 Å²	71	39.7 Å²	39.7	43%	0.43	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.3	173.7	180	0	0	0	0	109.2	V259 V268 K269	V259-V274 HydrophobicContact CG2-CG1 4.14Å; V268-V274 WeakPolarHBondContact O-CA 3.24Å; K269-V274 HydrophobicContact CB-CG2 4.08Å; K269-V274 HydrophobicContact CD-CG2 4.47Å; K269-V274 HydrophobicContact CG-CG2 3.97Å
275	A	97.6	Very high	97.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.9	167.4	0	0	0	0	0	108.9	M1 Y5 I8 L31 G267 V268	M1-A275 HydrophobicContact SD-CB 4.16Å; Y5-A275 HydrophobicContact CD2-CB 4.26Å; Y5-A275 HydrophobicContact CE2-CB 4.02Å; I8-A275 HydrophobicContact CD1-CB 3.93Å; I8-A275 VanDerWaalsContact CD1-O 3.32Å; I8-A275 WeakPolarHBondContact CD1-O 3.09Å; L31-A275 HydrophobicContact CD2-CB 3.69Å; G267-A275 CarbonylContact C-O 3.54Å; G267-A275 WeakPolarHBondContact CA-O 3.44Å; V268-A275 PolarHBondContact N-O 2.79Å; V268-A275 PolarHBondContact O-N 2.89Å
276	R	98.1	Very high	97.4	Very high	111 Å²	111	38.4 Å²	38.4	42%	0.419	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	146.7	179.8	-61.5	-169	74.2	103.1	1.3	111.6	E3 E4 Y5 E261 V266	E3-R276 WeakPolarHBondContact O-CB 3.45Å; E3-R276 PolarHBondContact O-N 2.9Å; E4-R276 HydrophobicContact CG-CB 4.37Å; Y5-R276 PolarHBondContact N-O 2.97Å; E261-R276 IonicContact OE1-NH1 3.89Å; E261-R276 IonicContact OE1-NH2 3.7Å; E261-R276 IonicContact OE2-NH2 3.61Å; V266-R276 WeakPolarHBondContact O-CA 3.4Å; V266-R276 WeakPolarHBondContact O-CB 3.39Å
277	C	98.1	Very high	97.3	Very high	10 Å²	10	37.7 Å²	37.7	7%	0.068	20%	0.196	C	C	.	.			trans	-146	165.3	173.3	68.3	0	0	0	0	112.9	Y5 I8 V266 Q279	Y5-C277 WeakPolarHBondContact O-CA 3.35Å; I8-C277 HydrophobicContact CB-CB 4.13Å; I8-C277 HydrophobicContact CD1-CB 3.64Å; I8-C277 HydrophobicContact CG1-CB 3.64Å; V266-C277 CarbonylContact C-O 3.58Å; V266-C277 PolarHBondContact O-N 3.12Å; C277-Q279 PolarHBondContact SG-O 3.49Å; C277-Q279 VanDerWaalsContact SG-O 3.4Å
278	K	97.9	Very high	97.1	Very high	115 Å²	115	42.8 Å²	42.8	50%	0.5	22%	0.22	S	C	.	.	S	Bend	trans	-94.3	-31.2	173	-59.1	170.3	-172.9	156.6	0	112	D6	D6-K278 WeakPolarHBondContact O-CB 3.37Å; D6-K278 PolarHBondContact O-N 2.85Å; D6-K278 IonicContact OD1-NZ 2.8Å; D6-K278 PolarHBondContact OD1-NZ 2.74Å
279	Q	98.5	Very high	96.9	Very high	30 Å²	30	49 Å²	49	14%	0.14	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.1	-179.7	-59	-175	-63.9	0	0	110	D6 V7 I8 C277 F399 M424	D6-Q279 PolarHBondContact O-N 3.16Å; V7-Q279 WeakPolarHBondContact CA-O 3.22Å; I8-Q279 PolarHBondContact N-O 3.05Å; C277-Q279 PolarHBondContact SG-O 3.49Å; C277-Q279 VanDerWaalsContact SG-O 3.4Å; Q279-F399 HydrophobicContact CB-CD2 4.48Å; Q279-F399 HydrophobicContact CB-CE2 4.12Å; Q279-F399 HydrophobicContact CG-CE2 4.13Å; Q279-M424 HydrophobicContact CB-CE 4.16Å; Q279-M424 PolarHBondContact NE2-O 2.91Å; Q279-M424 VanDerWaalsContact NE2-O 3.09Å
280	L	98.7	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.5	176.7	-178	64.9	0	0	0	109.8	I8 L10 I258 V265 V268 Q397 I398 F399	I8-L280 HydrophobicContact CB-CD1 3.88Å; I8-L280 HydrophobicContact CG2-CD1 3.68Å; I8-L280 CarbonylContact O-C 3.57Å; I8-L280 WeakPolarHBondContact O-CA 3.45Å; I8-L280 WeakPolarHBondContact O-CD1 3.45Å; L10-L280 HydrophobicContact CD1-CD1 3.86Å; L10-L280 HydrophobicContact CD1-CD2 4.26Å; L10-L280 HydrophobicContact CG-CD1 3.77Å; I258-L280 HydrophobicContact CD1-CD2 3.82Å; I258-L280 HydrophobicContact CG1-CD2 4.03Å; I258-L280 HydrophobicContact CG2-CD2 3.69Å; V265-L280 HydrophobicContact CG1-CB 3.97Å; V265-L280 HydrophobicContact CG2-CB 4.12Å; V265-L280 HydrophobicContact CG2-CD2 4.21Å; V268-L280 HydrophobicContact CG2-CD1 3.86Å; L280-Q397 PolarHBondContact N-O 3Å; L280-I398 HydrophobicContact CB-CG1 4.39Å; L280-I398 HydrophobicContact CD2-CG1 4.25Å; L280-I398 HydrophobicContact CD2-CG2 4.25Å; L280-F399 PolarHBondContact O-N 3.22Å
281	I	98.8	Very high	96.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.9	166.9	-50.9	179.4	0	0	0	107.7	V7 I8 V9 L10 E16 L19 F399 M424	V7-I281 HydrophobicContact CG1-CD1 4.02Å; V7-I281 HydrophobicContact CG1-CG1 3.94Å; I8-I281 PolarHBondContact O-N 2.95Å; V9-I281 CarbonylContact C-O 3.49Å; V9-I281 VanDerWaalsContact CA-O 3.3Å; V9-I281 WeakPolarHBondContact CA-O 3.41Å; V9-I281 HydrophobicContact CB-CB 4.5Å; V9-I281 HydrophobicContact CG1-CB 4.21Å; V9-I281 HydrophobicContact CG1-CG2 4.45Å; V9-I281 HydrophobicContact CG2-CB 4.16Å; V9-I281 HydrophobicContact CG2-CD1 4.14Å; V9-I281 HydrophobicContact CG2-CG1 4.38Å; L10-I281 PolarHBondContact N-O 3.24Å; E16-I281 HydrophobicContact CG-CG2 4.42Å; L19-I281 HydrophobicContact CB-CD1 3.8Å; L19-I281 HydrophobicContact CD1-CD1 4.36Å; L19-I281 HydrophobicContact CD1-CG2 3.95Å; I281-F399 WeakPolarHBondContact CA-O 3.49Å; I281-M424 HydrophobicContact CD1-CE 3.64Å; I281-M424 HydrophobicContact CD1-SD 3.42Å; I281-M424 WeakPolarHBondContact CD1-SD 3.45Å; I281-M424 HydrophobicContact CG1-CE 3.65Å; I281-M424 HydrophobicContact CG1-SD 3.6Å
282	C	98.5	Very high	96.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	158.6	175.2	60.8	0	0	0	0	113.9	L10 Y286 F399 A400 S401	L10-C282 HydrophobicContact CB-CB 3.83Å; L10-C282 HydrophobicContact CD1-CB 4.45Å; L10-C282 HydrophobicContact CG-CB 4.44Å; L10-C282 VanDerWaalsContact O-CA 3.3Å; L10-C282 WeakPolarHBondContact O-CA 3.2Å; C282-Y286 HydrophobicContact CB-CD2 4.38Å; C282-Y286 HydrophobicContact CB-CG 4.42Å; C282-F399 PolarHBondContact N-O 3.39Å; C282-A400 VanDerWaalsContact O-CA 3.22Å; C282-A400 WeakPolarHBondContact O-CA 3.07Å; C282-S401 PolarHBondContact O-N 3.07Å
283	D	97.8	Very high	97.1	Very high	26 Å²	26	54 Å²	54	14%	0.139	25%	0.253	C	S	.	.			trans	-78.1	161.3	164.9	76.9	59.2	0	0	0	111.8	L10 S285 Y286	L10-D283 PolarHBondContact O-N 3.32Å; D283-S285 PolarHBondContact O-N 3.23Å; D283-S285 WeakPolarHBondContact OD1-CA 3.29Å; D283-S285 WeakPolarHBondContact OD1-CB 3.33Å; D283-S285 PolarHBondContact OD1-N 2.88Å; D283-S285 PolarHBondContact OD1-OG 2.93Å; D283-Y286 PolarHBondContact O-N 3.29Å; D283-Y286 WeakPolarHBondContact OD2-CE2 3.4Å
284	P	97.5	Very high	97.2	Very high	13 Å²	13	51.8 Å²	51.8	8%	0.084	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-52.8	-26.3	-178.1	-32.8	38.6	0	0	0	116	Y286 I287 Q288 V291 Y387 S401	P284-Y286 PolarHBondContact O-N 3.32Å; P284-I287 PolarHBondContact O-N 3.16Å; P284-Q288 PolarHBondContact O-NE2 3.17Å; P284-V291 HydrophobicContact CB-CG1 4.01Å; P284-Y387 HydrophobicContact CB-CG 4.43Å; P284-S401 WeakPolarHBondContact CD-O 3.44Å; P284-S401 VanDerWaalsContact CG-O 3.3Å; P284-S401 WeakPolarHBondContact CG-O 3.5Å
285	S	97.3	Very high	97.1	Very high	47 Å²	47	49.5 Å²	49.5	33%	0.329	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-66.7	-16.5	-176.8	78.8	0	0	0	0	113.5	R35 D283	R35-S285 VanDerWaalsContact NH2-C 3.26Å; R35-S285 PolarHBondContact NH2-O 2.79Å; R35-S285 PolarHBondContact NH2-OG 3.02Å; D283-S285 PolarHBondContact O-N 3.23Å; D283-S285 WeakPolarHBondContact OD1-CA 3.29Å; D283-S285 WeakPolarHBondContact OD1-CB 3.33Å; D283-S285 PolarHBondContact OD1-N 2.88Å; D283-S285 PolarHBondContact OD1-OG 2.93Å
286	Y	97.8	Very high	97.2	Very high	22 Å²	22	51.9 Å²	51.9	9%	0.086	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-91.8	-13.8	179	-68.1	-89.2	0	0	0	113.8	L10 D34 R35 V255 C282 D283 P284	L10-Y286 HydrophobicContact CB-CD1 3.75Å; L10-Y286 HydrophobicContact CB-CD2 3.87Å; L10-Y286 HydrophobicContact CB-CE1 3.88Å; L10-Y286 HydrophobicContact CB-CE2 3.99Å; L10-Y286 HydrophobicContact CB-CG 3.76Å; L10-Y286 HydrophobicContact CD1-CD1 3.78Å; L10-Y286 HydrophobicContact CD1-CE1 4.44Å; L10-Y286 HydrophobicContact CD1-CG 4.09Å; L10-Y286 HydrophobicContact CG-CD1 4.33Å; D34-Y286 PolarHBondContact OD1-OH 3.32Å; R35-Y286 PolarHBondContact N-OH 3.06Å; R35-Y286 VanDerWaalsContact N-OH 3.13Å; R35-Y286 PolarHBondContact NE-OH 3.31Å; V255-Y286 HydrophobicContact CB-CD1 4.19Å; V255-Y286 HydrophobicContact CB-CE1 4.21Å; V255-Y286 HydrophobicContact CG2-CD1 4.01Å; V255-Y286 HydrophobicContact CG2-CE1 3.73Å; C282-Y286 HydrophobicContact CB-CD2 4.38Å; C282-Y286 HydrophobicContact CB-CG 4.42Å; D283-Y286 PolarHBondContact O-N 3.29Å; D283-Y286 WeakPolarHBondContact OD2-CE2 3.4Å; P284-Y286 PolarHBondContact O-N 3.32Å
287	I	95.9	Very high	97.2	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	23%	0.234	C	C	.	.			trans	-140.2	54	-170.3	55.2	158.1	0	0	0	112.5	I258 P284 D289 R290 V291 I398 A400	I258-I287 HydrophobicContact CD1-CG2 3.58Å; P284-I287 PolarHBondContact O-N 3.16Å; I287-D289 PolarHBondContact O-N 3.07Å; I287-R290 HydrophobicContact CB-CB 4.24Å; I287-R290 HydrophobicContact CD1-CB 4.03Å; I287-R290 PolarHBondContact O-N 3.19Å; I287-V291 HydrophobicContact CD1-CG1 3.99Å; I287-V291 HydrophobicContact CG1-CG1 4.05Å; I287-I398 HydrophobicContact CD1-CG2 4.4Å; I287-I398 HydrophobicContact CG2-CG2 4.21Å; I287-A400 HydrophobicContact CD1-CB 3.22Å; I287-A400 HydrophobicContact CG1-CB 4.34Å
288	Q	93.3	Very high	97.2	Very high	107 Å²	107	46.2 Å²	46.2	50%	0.5	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.1	-173.9	-68	-68.2	-60.9	0	0	114.5	P284	P284-Q288 PolarHBondContact O-NE2 3.17Å
289	D	94.2	Very high	97.2	Very high	131 Å²	131	41 Å²	41	70%	0.701	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-11.1	176.1	64.3	-44.2	0	0	0	114.1	I287	I287-D289 PolarHBondContact O-N 3.07Å
290	R	95.6	Very high	97.2	Very high	65 Å²	65	39.6 Å²	39.6	25%	0.245	20%	0.202	C	C	.	.	S	Bend	trans	-116	10.6	-177	-63.8	-179.3	179.9	-95.3	-7.9	113.6	I287 T390 D391	I287-R290 HydrophobicContact CB-CB 4.24Å; I287-R290 HydrophobicContact CD1-CB 4.03Å; I287-R290 PolarHBondContact O-N 3.19Å; R290-T390 PolarHBondContact O-N 3.11Å; R290-T390 PolarHBondContact O-OG1 2.89Å; R290-D391 IonicContact CZ-OD2 3.73Å; R290-D391 IonicContact NH1-OD2 3.84Å; R290-D391 PolarHBondContact NH1-OD2 2.9Å
291	V	97.4	Very high	97.3	Very high	18 Å²	18	39.6 Å²	39.6	11%	0.109	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	155.4	179.1	-62	0	0	0	0	110.9	P284 I287 Y387 E388	P284-V291 HydrophobicContact CB-CG1 4.01Å; I287-V291 HydrophobicContact CD1-CG1 3.99Å; I287-V291 HydrophobicContact CG1-CG1 4.05Å; V291-Y387 HydrophobicContact CB-CD1 4.31Å; V291-Y387 HydrophobicContact CG2-CD1 3.78Å; V291-Y387 HydrophobicContact CG2-CG 4.25Å; V291-E388 WeakPolarHBondContact CA-O 3.39Å
292	R	97.7	Very high	97.3	Very high	149 Å²	149	39.6 Å²	39.6	56%	0.562	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	149	170.5	68.1	178.1	-173.9	-170.1	-0.2	110.4	A294 Y387 E388 T390	R292-A294 PolarHBondContact O-N 3.15Å; R292-Y387 WeakPolarHBondContact O-CA 3.41Å; R292-E388 HydrophobicContact CG-CG 3.83Å; R292-E388 IonicContact CZ-OE1 3.46Å; R292-E388 PolarHBondContact N-O 2.87Å; R292-E388 IonicContact NE-OE1 3.9Å; R292-E388 PolarHBondContact NE-OE1 3.39Å; R292-E388 IonicContact NH2-OE1 2.73Å; R292-E388 PolarHBondContact NH2-OE1 3.29Å; R292-E388 PolarHBondContact O-N 2.95Å; R292-T390 HydrophobicContact CB-CG2 3.7Å; R292-T390 HydrophobicContact CG-CG2 3.71Å
293	K	97.4	Very high	97.3	Very high	110 Å²	110	39.7 Å²	39.7	48%	0.478	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	118.7	173	-176.2	172.1	179.5	163.3	0	109.6	G295 D385 L386 Y387	K293-G295 WeakPolarHBondContact CE-O 3.42Å; K293-D385 HydrophobicContact CD-CB 4.41Å; K293-D385 VanDerWaalsContact CE-OD1 3.25Å; K293-D385 WeakPolarHBondContact CE-OD1 3.4Å; K293-D385 WeakPolarHBondContact CE-OD2 3.49Å; K293-D385 IonicContact NZ-OD1 2.78Å; K293-D385 PolarHBondContact NZ-OD1 2.99Å; K293-D385 IonicContact NZ-OD2 3.05Å; K293-D385 PolarHBondContact NZ-OD2 2.78Å; K293-L386 CarbonylContact C-O 3.58Å; K293-L386 WeakPolarHBondContact CA-O 3.35Å; K293-Y387 HydrophobicContact CB-CD1 4.39Å; K293-Y387 HydrophobicContact CB-CE1 4.05Å
294	A	95.7	Very high	97.3	Very high	58 Å²	58	38.5 Å²	38.5	48%	0.479	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-18.9	178.6	0	0	0	0	0	112.9	R292 L386 E388	R292-A294 PolarHBondContact O-N 3.15Å; A294-L386 PolarHBondContact N-O 2.86Å; A294-E388 HydrophobicContact CB-CB 4.42Å; A294-E388 HydrophobicContact CB-CG 3.99Å
295	G	96.4	Very high	97.4	Very high	22 Å²	22	40.7 Å²	40.7	23%	0.227	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-161.9	-179.4	0	0	0	0	0	112.5	K293 L386	K293-G295 WeakPolarHBondContact CE-O 3.42Å; G295-L386 PolarHBondContact O-N 3.19Å
296	Q	98	Very high	97.4	Very high	51 Å²	51	40.8 Å²	40.8	24%	0.238	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146.1	174.2	-172.3	174.5	73	0	0	109.3	V357 S384 D385	Q296-V357 HydrophobicContact CB-CB 4.18Å; Q296-V357 HydrophobicContact CB-CG2 4.14Å; Q296-V357 HydrophobicContact CG-CB 4.47Å; Q296-V357 HydrophobicContact CG-CG2 3.96Å; Q296-V357 PolarHBondContact O-N 2.72Å; Q296-S384 CarbonylContact C-O 3.46Å; Q296-S384 WeakPolarHBondContact CA-O 3.48Å; Q296-S384 WeakPolarHBondContact CG-O 3.3Å; Q296-D385 PolarHBondContact NE2-OD1 2.77Å
297	V	98.3	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.7	177.9	172	0	0	0	0	109	R299 T355 L383 S384 L386 A406	V297-R299 HydrophobicContact CG1-CG 3.91Å; V297-T355 WeakPolarHBondContact CA-O 3.44Å; V297-T355 WeakPolarHBondContact CG1-O 3.36Å; V297-L383 WeakPolarHBondContact O-CA 3.21Å; V297-S384 PolarHBondContact N-O 3.43Å; V297-S384 PolarHBondContact O-N 2.96Å; V297-L386 HydrophobicContact CB-CD2 4.49Å; V297-L386 HydrophobicContact CG2-CD1 3.6Å; V297-L386 HydrophobicContact CG2-CD2 3.82Å; V297-L386 HydrophobicContact CG2-CG 3.8Å; V297-A406 HydrophobicContact CG1-CB 3.84Å; V297-A406 HydrophobicContact CG2-CB 3.92Å
298	I	98.6	Very high	97.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.8	163.4	-177.7	172.9	0	0	0	109	V300 S354 T355 V357 P362 E363 I366 V381 S382 L383	I298-V300 HydrophobicContact CD1-CG2 3.95Å; I298-V300 HydrophobicContact CG1-CG2 4.02Å; I298-S354 VanDerWaalsContact O-CA 3.27Å; I298-S354 WeakPolarHBondContact O-CA 3.34Å; I298-T355 HydrophobicContact CG2-CG2 3.61Å; I298-T355 PolarHBondContact N-O 2.99Å; I298-T355 VanDerWaalsContact N-O 3.11Å; I298-T355 PolarHBondContact O-N 2.93Å; I298-V357 HydrophobicContact CB-CG2 4.21Å; I298-V357 HydrophobicContact CG2-CG2 4.38Å; I298-P362 HydrophobicContact CB-CB 4.27Å; I298-P362 HydrophobicContact CD1-CB 3.9Å; I298-P362 VanDerWaalsContact CD1-O 3.32Å; I298-P362 WeakPolarHBondContact CD1-O 3.4Å; I298-E363 HydrophobicContact CD1-CG 3.96Å; I298-I366 HydrophobicContact CD1-CD1 3.98Å; I298-I366 HydrophobicContact CD1-CG1 4.38Å; I298-I366 HydrophobicContact CG2-CG2 3.9Å; I298-V381 HydrophobicContact CD1-CG1 4.3Å; I298-S382 WeakPolarHBondContact CA-O 3.45Å; I298-L383 HydrophobicContact CB-CD2 3.71Å; I298-L383 HydrophobicContact CG1-CD2 4.08Å
299	R	98.6	Very high	97.8	Very high	6 Å²	6	43.2 Å²	43.2	2%	0.023	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.3	165.7	-58.7	-170.3	175.5	83.4	-0.1	109.5	L76 V297 V353 S382 Y404 D405	L76-R299 WeakPolarHBondContact O-CD 3.32Å; V297-R299 HydrophobicContact CG1-CG 3.91Å; R299-V353 CarbonylContact C-O 3.5Å; R299-V353 VanDerWaalsContact CA-O 3.26Å; R299-V353 WeakPolarHBondContact CA-O 3.46Å; R299-S382 PolarHBondContact N-O 2.74Å; R299-S382 PolarHBondContact O-N 3.16Å; R299-S382 PolarHBondContact O-OG 3.36Å; R299-Y404 PolarHBondContact NH2-O 2.98Å; R299-D405 PolarHBondContact NH2-O 2.78Å
300	V	98.7	Very high	97.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	112.3	173.8	-176.9	0	0	0	0	109.2	I298 I352 V353 I366 L370 K379 F380 V381	I298-V300 HydrophobicContact CD1-CG2 3.95Å; I298-V300 HydrophobicContact CG1-CG2 4.02Å; V300-I352 WeakPolarHBondContact O-CA 3.49Å; V300-V353 PolarHBondContact N-O 3.24Å; V300-V353 PolarHBondContact O-N 3.06Å; V300-I366 HydrophobicContact CB-CD1 3.81Å; V300-I366 HydrophobicContact CG2-CD1 3.27Å; V300-L370 HydrophobicContact CG1-CD2 4.4Å; V300-K379 HydrophobicContact CG1-CB 4.2Å; V300-K379 HydrophobicContact CG1-CD 4.23Å; V300-K379 HydrophobicContact CG1-CG 4.33Å; V300-F380 WeakPolarHBondContact CA-O 3.19Å; V300-V381 HydrophobicContact CG1-CG2 4.13Å; V300-V381 HydrophobicContact CG2-CB 4.27Å; V300-V381 HydrophobicContact CG2-CG1 3.99Å; V300-V381 HydrophobicContact CG2-CG2 3.93Å
301	I	98.9	Very high	97.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	123.7	174.1	-55.9	169.9	0	0	0	107.2	F56 V74 L76 I350 I352 K379 F380	F56-I301 HydrophobicContact CE2-CD1 4.48Å; F56-I301 HydrophobicContact CZ-CD1 4.26Å; V74-I301 HydrophobicContact CG1-CD1 4.08Å; V74-I301 HydrophobicContact CG1-CG2 3.95Å; L76-I301 HydrophobicContact CD2-CD1 4.25Å; I301-I350 HydrophobicContact CG2-CG2 3.83Å; I301-I352 HydrophobicContact CB-CG1 4.31Å; I301-I352 HydrophobicContact CG1-CD1 4.05Å; I301-I352 HydrophobicContact CG1-CG1 4.04Å; I301-I352 HydrophobicContact CG1-CG2 4.19Å; I301-I352 HydrophobicContact CG2-CD1 4.31Å; I301-I352 HydrophobicContact CG2-CG1 4.14Å; I301-K379 CarbonylContact O-C 3.51Å; I301-K379 VanDerWaalsContact O-CA 3.31Å; I301-K379 WeakPolarHBondContact O-CA 3.49Å; I301-F380 HydrophobicContact CB-CB 4.15Å; I301-F380 HydrophobicContact CB-CD2 4.08Å; I301-F380 HydrophobicContact CG2-CD2 4.07Å; I301-F380 PolarHBondContact N-O 3.41Å; I301-F380 PolarHBondContact O-N 3.38Å
302	C	98.9	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.4	179.4	-59.3	0	0	0	0	109.7	L304 I350 A351 L373 I376 Q378	C302-L304 HydrophobicContact CB-CD2 4.16Å; C302-I350 WeakPolarHBondContact O-CA 3.27Å; C302-A351 WeakPolarHBondContact CA-O 3.37Å; C302-A351 HydrophobicContact CB-CB 4.43Å; C302-A351 WeakPolarHBondContact CB-O 3.35Å; C302-A351 PolarHBondContact N-O 3.41Å; C302-A351 PolarHBondContact O-N 2.78Å; C302-L373 HydrophobicContact CB-CD1 4.11Å; C302-I376 HydrophobicContact CB-CD1 4.43Å; C302-I376 HydrophobicContact CB-CG1 4.45Å; C302-I376 HydrophobicContact CB-CG2 3.85Å; C302-Q378 WeakPolarHBondContact CA-O 3.35Å
303	I	98.8	Very high	97.7	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.5	169.4	-64.8	174.9	0	0	0	108.8	L49 M66 W72 K348 Y349 D377 Q378 F380	L49-I303 HydrophobicContact CD1-CD1 3.97Å; M66-I303 HydrophobicContact CE-CB 4.36Å; M66-I303 HydrophobicContact CE-CD1 4.14Å; M66-I303 HydrophobicContact CE-CG2 4.01Å; M66-I303 HydrophobicContact SD-CD1 4.23Å; M66-I303 HydrophobicContact SD-CG2 3.74Å; W72-I303 HydrophobicContact CH2-CB 4.46Å; W72-I303 HydrophobicContact CH2-CD1 3.79Å; W72-I303 HydrophobicContact CH2-CG1 4.03Å; W72-I303 HydrophobicContact CH2-CG2 3.61Å; W72-I303 HydrophobicContact CZ3-CD1 3.73Å; W72-I303 HydrophobicContact CZ3-CG1 3.84Å; W72-I303 HydrophobicContact CZ3-CG2 4.22Å; I303-K348 HydrophobicContact CG2-CD 4.45Å; I303-Y349 WeakPolarHBondContact CA-O 3.31Å; I303-D377 HydrophobicContact CB-CB 4.45Å; I303-D377 HydrophobicContact CG2-CB 4.18Å; I303-D377 WeakPolarHBondContact O-CB 3.5Å; I303-D377 PolarHBondContact O-N 2.85Å; I303-Q378 HydrophobicContact CB-CB 4.49Å; I303-Q378 PolarHBondContact N-O 3.45Å; I303-F380 HydrophobicContact CD1-CE2 3.64Å; I303-F380 HydrophobicContact CD1-CZ 3.99Å; I303-F380 HydrophobicContact CG1-CE2 3.99Å
304	L	98.9	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.8	178.4	-38.3	174.4	0	0	0	110.9	C302 I308 K348 Y349 A351 L373 I376	C302-L304 HydrophobicContact CB-CD2 4.16Å; L304-I308 HydrophobicContact CD1-CG1 4.06Å; L304-K348 WeakPolarHBondContact O-CA 3.24Å; L304-Y349 PolarHBondContact N-O 2.66Å; L304-Y349 PolarHBondContact O-N 3.29Å; L304-A351 HydrophobicContact CD1-CB 3.92Å; L304-A351 HydrophobicContact CG-CB 4.44Å; L304-L373 HydrophobicContact CD1-CB 4.46Å; L304-L373 HydrophobicContact CD1-CD2 4.34Å; L304-L373 HydrophobicContact CD2-CB 4.16Å; L304-I376 HydrophobicContact CD2-CB 4.25Å; L304-I376 HydrophobicContact CD2-CG1 3.86Å; L304-I376 HydrophobicContact CD2-CG2 4.26Å
305	S	98.7	Very high	97.9	Very high	60 Å²	60	37.9 Å²	37.9	42%	0.42	20%	0.204	S	C	.	.	S	Bend	trans	-97.8	10.5	169.9	-72.9	0	0	0	0	113.5	K348 D377	S305-K348 PolarHBondContact OG-NZ 3.44Å; S305-D377 PolarHBondContact N-OD2 2.89Å; S305-D377 PolarHBondContact OG-OD1 2.87Å; S305-D377 PolarHBondContact OG-OD2 3.48Å
306	H	98.6	Very high	98	Very high	49 Å²	49	36.8 Å²	36.8	23%	0.227	19%	0.193	C	C	.	.	S	Bend	trans	-148.1	156.1	-178	60	83.4	0	0	0	110.6	Y349 L373 P375	H306-Y349 VanDerWaalsContact C-CE2 3.43Å; H306-Y349 VanDerWaalsContact O-CD2 3.3Å; H306-Y349 WeakPolarHBondContact O-CD2 3.34Å; H306-L373 PolarHBondContact CE1-O 2.87Å; H306-P375 WeakPolarHBondContact NE2-CD 3.46Å; H306-P375 PolarHBondContact NE2-O 3.42Å
307	P	98.4	Very high	98	Very high	27 Å²	27	34.4 Å²	34.4	18%	0.175	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-64.6	157.2	168.4	29.4	-34.8	0	0	0	110.4	K309 D313 Y349	P307-K309 PolarHBondContact O-N 3.08Å; P307-D313 HydrophobicContact CG-CB 4.13Å; P307-D313 WeakPolarHBondContact CG-OD1 3.12Å; P307-Y349 HydrophobicContact CB-CE1 4.1Å
308	I	98.6	Very high	98	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-65.6	135	175.2	-61.6	173.9	0	0	0	109	I116 L304 T311 I319 M336 A351 L373	I116-I308 HydrophobicContact CD1-CG2 4.36Å; L304-I308 HydrophobicContact CD1-CG1 4.06Å; I308-T311 HydrophobicContact CB-CG2 3.81Å; I308-T311 HydrophobicContact CG2-CG2 3.88Å; I308-T311 WeakPolarHBondContact O-CB 3.37Å; I308-T311 WeakPolarHBondContact O-CG2 3.37Å; I308-T311 PolarHBondContact O-N 3.04Å; I308-T311 PolarHBondContact O-OG1 2.93Å; I308-I319 HydrophobicContact CD1-CD1 3.96Å; I308-I319 HydrophobicContact CG2-CD1 4.04Å; I308-M336 HydrophobicContact CD1-CB 3.72Å; I308-M336 HydrophobicContact CD1-CE 4.45Å; I308-M336 HydrophobicContact CD1-CG 3.97Å; I308-M336 HydrophobicContact CG1-CE 4.5Å; I308-M336 HydrophobicContact CG1-CG 4.45Å; I308-A351 HydrophobicContact CD1-CB 4.32Å; I308-L373 HydrophobicContact CD1-CD2 3.42Å; I308-L373 VanDerWaalsContact CD1-CD2 3.42Å; I308-L373 HydrophobicContact CG1-CD2 3.66Å; I308-L373 HydrophobicContact CG2-CD2 4.35Å
309	K	97.3	Very high	98	Very high	155 Å²	155	34.3 Å²	34.3	67%	0.674	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	149.8	179.6	-172.4	179.8	171.8	-175.3	0	111.3	I116 P307 T311	I116-K309 WeakPolarHBondContact CD1-O 3.35Å; P307-K309 PolarHBondContact O-N 3.08Å; K309-T311 PolarHBondContact O-N 2.66Å; K309-T311 VanDerWaalsContact O-N 3.14Å
310	D	95.8	Very high	98	Very high	101 Å²	101	34 Å²	34	54%	0.54	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	16.5	178.2	-57.3	-40.3	0	0	0	114.7	I116	I116-D310 HydrophobicContact CD1-CB 4.43Å; I116-D310 HydrophobicContact CG1-CB 4Å
311	T	96.5	Very high	97.9	Very high	6 Å²	6	34 Å²	34	4%	0.037	18%	0.18	C	C	.	.	S	Bend	trans	-100.3	3.5	173.5	68.4	0	0	0	0	114.7	F109 I116 I308 K309 A314	F109-T311 HydrophobicContact CD2-CG2 4.15Å; F109-T311 HydrophobicContact CE1-CG2 4.39Å; F109-T311 HydrophobicContact CE2-CG2 3.79Å; F109-T311 VanDerWaalsContact CZ-CA 3.49Å; F109-T311 HydrophobicContact CZ-CG2 3.94Å; I116-T311 HydrophobicContact CD1-CG2 3.66Å; I308-T311 HydrophobicContact CB-CG2 3.81Å; I308-T311 HydrophobicContact CG2-CG2 3.88Å; I308-T311 WeakPolarHBondContact O-CB 3.37Å; I308-T311 WeakPolarHBondContact O-CG2 3.37Å; I308-T311 PolarHBondContact O-N 3.04Å; I308-T311 PolarHBondContact O-OG1 2.93Å; K309-T311 PolarHBondContact O-N 2.66Å; K309-T311 VanDerWaalsContact O-N 3.14Å; T311-A314 PolarHBondContact OG1-N 3.48Å
312	N	94.9	Very high	97.9	Very high	154 Å²	154	34 Å²	34	82%	0.824	18%	0.18	S	C	*	.	S	Bend	trans	57.1	49.3	-172.9	-170	72.6	0	0	0	112.3	A314	N312-A314 PolarHBondContact O-N 2.84Å
313	D	96.6	Very high	97.7	Very high	121 Å²	121	35 Å²	35	65%	0.647	19%	0.185	S	C	*	.	S	Bend	trans	52	37.5	179.3	-56.2	-34.9	0	0	0	113.8	P307 N315	P307-D313 HydrophobicContact CG-CB 4.13Å; P307-D313 WeakPolarHBondContact CG-OD1 3.12Å; D313-N315 PolarHBondContact O-N 3.31Å
314	A	97.5	Very high	97.6	Very high	6 Å²	6	38 Å²	38	5%	0.05	20%	0.201	C	C	.	.			trans	-62	137	178.8	0	0	0	0	0	110.7	E106 T311 N312 S316 M336	E106-A314 HydrophobicContact CB-CB 4.2Å; T311-A314 PolarHBondContact OG1-N 3.48Å; N312-A314 PolarHBondContact O-N 2.84Å; A314-S316 VanDerWaalsContact C-N 3.28Å; A314-M336 WeakPolarHBondContact O-CE 3.44Å
315	N	98.1	Very high	97.4	Very high	31 Å²	31	40.2 Å²	40.2	17%	0.166	21%	0.211	C	C	.	.	S	Bend	trans	-83.6	-8.7	174.2	-64.2	-83.9	0	0	0	113	E106 D313 S338 Y339 A340	E106-N315 WeakPolarHBondContact OE2-CB 3.32Å; E106-N315 PolarHBondContact OE2-N 2.95Å; E106-N315 PolarHBondContact OE2-ND2 3.49Å; D313-N315 PolarHBondContact O-N 3.31Å; N315-S338 VanDerWaalsContact O-CB 3.29Å; N315-S338 WeakPolarHBondContact O-CB 3.47Å; N315-S338 PolarHBondContact O-OG 3.18Å; N315-Y339 PolarHBondContact OD1-OH 2.83Å; N315-Y339 VanDerWaalsContact OD1-OH 3.07Å; N315-A340 HydrophobicContact CB-CB 3.64Å
316	S	98.6	Very high	97.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-162	142.5	173.3	52.2	0	0	0	0	109.8	V105 E106 G107 A314 M336 H341	V105-S316 WeakPolarHBondContact CA-OG 3.4Å; E106-S316 WeakPolarHBondContact CB-O 3.5Å; E106-S316 PolarHBondContact N-O 3.26Å; E106-S316 VanDerWaalsContact N-O 3.13Å; E106-S316 PolarHBondContact N-OG 2.93Å; G107-S316 PolarHBondContact N-O 3.37Å; G107-S316 VanDerWaalsContact N-O 3.16Å; A314-S316 VanDerWaalsContact C-N 3.28Å; S316-M336 CarbonylContact C-O 3.56Å; S316-M336 WeakPolarHBondContact CA-O 3.41Å; S316-M336 VanDerWaalsContact CB-O 3.29Å; S316-M336 WeakPolarHBondContact CB-O 3.49Å; S316-H341 WeakPolarHBondContact CB-CE1 3.5Å; S316-H341 PolarHBondContact OG-CE1 3.26Å; S316-H341 VanDerWaalsContact OG-CE1 3.24Å
317	C	98.5	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	158.4	175.9	65	0	0	0	0	114	G107 F109 C335 M336	G107-C317 CarbonylContact O-C 3.53Å; G107-C317 WeakPolarHBondContact O-CA 3.44Å; F109-C317 HydrophobicContact CD2-CB 3.76Å; F109-C317 HydrophobicContact CE2-CB 3.56Å; C317-C335 WeakPolarHBondContact O-CA 3.31Å; C317-M336 PolarHBondContact N-O 3.36Å; C317-M336 PolarHBondContact O-N 2.74Å
318	Q	98.4	Very high	97	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.9	162.8	179.6	99.6	-70.6	0	0	108.3	F80 G107 S108 F109 Y224 I320 V334 T408	F80-Q318 HydrophobicContact CD2-CB 4.21Å; F80-Q318 HydrophobicContact CE2-CB 4.05Å; G107-Q318 PolarHBondContact O-N 3.35Å; S108-Q318 CarbonylContact C-O 3.24Å; S108-Q318 WeakPolarHBondContact CA-O 3.47Å; F109-Q318 PolarHBondContact N-O 2.99Å; Y224-Q318 HydrophobicContact CD2-CB 4.05Å; Y224-Q318 HydrophobicContact CE2-CB 3.77Å; Y224-Q318 HydrophobicContact CE2-CG 3.84Å; Y224-Q318 PolarHBondContact OH-NE2 3.23Å; Y224-Q318 VanDerWaalsContact OH-NE2 3.12Å; Q318-I320 HydrophobicContact CG-CD1 4.15Å; Q318-I320 HydrophobicContact CG-CG1 4.05Å; Q318-V334 CarbonylContact C-O 3.58Å; Q318-T408 VanDerWaalsContact OE1-CB 3.3Å; Q318-T408 PolarHBondContact OE1-OG1 2.88Å
319	I	98.6	Very high	96.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.9	167.1	-47.2	178.7	0	0	0	107.7	F109 I116 I308 V334 L372	F109-I319 HydrophobicContact CB-CG1 4.27Å; F109-I319 HydrophobicContact CB-CG2 4.47Å; F109-I319 HydrophobicContact CD2-CG1 4.49Å; F109-I319 WeakPolarHBondContact O-CA 3.22Å; I116-I319 HydrophobicContact CD1-CD1 4.07Å; I116-I319 HydrophobicContact CG2-CG2 3.72Å; I308-I319 HydrophobicContact CD1-CD1 3.96Å; I308-I319 HydrophobicContact CG2-CD1 4.04Å; I319-V334 HydrophobicContact CB-CB 4.03Å; I319-V334 HydrophobicContact CB-CG2 4.49Å; I319-V334 HydrophobicContact CD1-CB 4.42Å; I319-V334 HydrophobicContact CG1-CB 4.42Å; I319-V334 PolarHBondContact N-O 3.29Å; I319-V334 PolarHBondContact O-N 2.87Å; I319-L372 HydrophobicContact CG2-CD1 4.49Å
320	I	98.3	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.6	175.8	-63.6	168	0	0	0	107.6	F109 V110 Y111 H187 A188 L191 Q318 P322 Y333	F109-I320 PolarHBondContact O-N 3.24Å; V110-I320 CarbonylContact C-O 3.52Å; V110-I320 WeakPolarHBondContact CA-O 2.84Å; Y111-I320 PolarHBondContact N-O 2.8Å; H187-I320 HydrophobicContact CB-CG2 4.23Å; H187-I320 WeakPolarHBondContact O-CD1 3.23Å; A188-I320 HydrophobicContact CB-CB 4.46Å; A188-I320 HydrophobicContact CB-CD1 4.07Å; L191-I320 HydrophobicContact CD2-CD1 3.74Å; Q318-I320 HydrophobicContact CG-CD1 4.15Å; Q318-I320 HydrophobicContact CG-CG1 4.05Å; I320-P322 WeakPolarHBondContact O-CD 3.21Å; I320-Y333 HydrophobicContact CG1-CD1 4.1Å; I320-Y333 HydrophobicContact CG1-CE1 4.36Å; I320-Y333 HydrophobicContact CG2-CE1 4.33Å
321	I	98.1	Very high	96.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	96.7	173.9	-48.6	-172.9	0	0	0	107.1	Y111 Q323 V326 D331 I332 A369 L372	Y111-I321 HydrophobicContact CD1-CG2 3.91Å; Y111-I321 HydrophobicContact CD2-CD1 4.5Å; Y111-I321 HydrophobicContact CE1-CG2 4.5Å; Y111-I321 HydrophobicContact CG-CG1 4.34Å; Y111-I321 HydrophobicContact CG-CG2 3.95Å; I321-Q323 PolarHBondContact O-N 3.11Å; I321-V326 HydrophobicContact CG2-CB 4.43Å; I321-V326 HydrophobicContact CG2-CG1 3.53Å; I321-V326 HydrophobicContact CG2-CG2 3.99Å; I321-D331 WeakPolarHBondContact O-CA 3.38Å; I321-I332 HydrophobicContact CB-CB 4.01Å; I321-I332 WeakPolarHBondContact CB-O 3.26Å; I321-I332 HydrophobicContact CD1-CB 4.23Å; I321-I332 HydrophobicContact CD1-CG2 4.37Å; I321-I332 HydrophobicContact CG1-CB 4.37Å; I321-I332 PolarHBondContact N-O 3.22Å; I321-I332 PolarHBondContact O-N 3.33Å; I321-A369 HydrophobicContact CD1-CB 3.73Å; I321-L372 HydrophobicContact CD1-CD1 4.27Å
322	P	97.4	Very high	97	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	21%	0.205	C	C	.	.			trans	-59.5	137.7	-179	-23.3	34	0	0	0	110.8	V110 D183 H187 I320 N324 Q325 D331	V110-P322 HydrophobicContact CG2-CG 3.79Å; D183-P322 HydrophobicContact CB-CB 4.32Å; H187-P322 HydrophobicContact CB-CB 4.25Å; H187-P322 HydrophobicContact CB-CG 4.2Å; I320-P322 WeakPolarHBondContact O-CD 3.21Å; P322-N324 PolarHBondContact O-N 3.24Å; P322-Q325 HydrophobicContact CB-CG 4.21Å; P322-Q325 HydrophobicContact CG-CG 4.36Å; P322-Q325 WeakPolarHBondContact O-CB 3.38Å; P322-Q325 PolarHBondContact O-N 3.43Å; P322-D331 WeakPolarHBondContact CA-OD1 3.19Å
323	Q	95.8	Very high	97.2	Very high	20 Å²	20	32.9 Å²	32.9	9%	0.093	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-49.4	-38	-177.1	62.3	179.7	83.9	0	0	113.6	R193 I321 Q325 V326 N327 R328 K329 D331	R193-Q323 PolarHBondContact O-OE1 3.07Å; I321-Q323 PolarHBondContact O-N 3.11Å; Q323-Q325 VanDerWaalsContact C-N 3.26Å; Q323-Q325 PolarHBondContact O-N 2.88Å; Q323-V326 CarbonylContact O-C 3.6Å; Q323-V326 PolarHBondContact O-N 2.92Å; Q323-N327 PolarHBondContact O-N 2.98Å; Q323-R328 HydrophobicContact CB-CB 4.29Å; Q323-R328 WeakPolarHBondContact CB-O 3.49Å; Q323-R328 PolarHBondContact O-N 3.44Å; Q323-K329 PolarHBondContact NE2-O 3.16Å; Q323-K329 PolarHBondContact OE1-O 3.12Å; Q323-D331 PolarHBondContact N-OD1 2.67Å
324	N	95.4	Very high	97.3	Very high	66 Å²	66	27.1 Å²	27.1	35%	0.353	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-67.9	-24.3	-179.1	-66.8	-24.5	0	0	0	112.7	D183 D195 P322 V326	D183-N324 PolarHBondContact OD1-ND2 3.39Å; D195-N324 PolarHBondContact OD2-ND2 3.3Å; P322-N324 PolarHBondContact O-N 3.24Å; N324-V326 VanDerWaalsContact C-N 3.32Å
325	Q	95.5	Very high	97.3	Very high	45 Å²	45	26.9 Å²	26.9	21%	0.21	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-80.1	-15.2	179.1	-61.5	-66	-51.7	0	0	113.1	Y111 D183 P322 Q323	Y111-Q325 HydrophobicContact CD1-CB 3.89Å; Y111-Q325 HydrophobicContact CE1-CB 4.21Å; D183-Q325 PolarHBondContact OD2-NE2 3.36Å; D183-Q325 VanDerWaalsContact OD2-NE2 3.17Å; P322-Q325 HydrophobicContact CB-CG 4.21Å; P322-Q325 HydrophobicContact CG-CG 4.36Å; P322-Q325 WeakPolarHBondContact O-CB 3.38Å; P322-Q325 PolarHBondContact O-N 3.43Å; Q323-Q325 VanDerWaalsContact C-N 3.26Å; Q323-Q325 PolarHBondContact O-N 2.88Å
326	V	96.3	Very high	97.3	Very high	30 Å²	30	25.4 Å²	25.4	18%	0.182	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	15.3	-177.8	-69.2	0	0	0	0	112.7	Y111 I321 Q323 N324 R328 I332 P368	Y111-V326 HydrophobicContact CE1-CG1 4.28Å; I321-V326 HydrophobicContact CG2-CB 4.43Å; I321-V326 HydrophobicContact CG2-CG1 3.53Å; I321-V326 HydrophobicContact CG2-CG2 3.99Å; Q323-V326 CarbonylContact O-C 3.6Å; Q323-V326 PolarHBondContact O-N 2.92Å; N324-V326 VanDerWaalsContact C-N 3.32Å; V326-R328 VanDerWaalsContact C-N 3.33Å; V326-R328 HydrophobicContact CB-CG 4.47Å; V326-R328 HydrophobicContact CG2-CB 4.2Å; V326-R328 HydrophobicContact CG2-CG 3.86Å; V326-R328 PolarHBondContact O-N 2.92Å; V326-I332 HydrophobicContact CG2-CD1 4.15Å; V326-P368 HydrophobicContact CG1-CB 3.87Å; V326-P368 HydrophobicContact CG1-CG 3.91Å
327	N	95.6	Very high	97.3	Very high	158 Å²	158	25.5 Å²	25.5	85%	0.845	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	45.6	178.2	-170.1	52.9	0	0	0	113.5	Q323	Q323-N327 PolarHBondContact O-N 2.98Å
328	R	96.1	Very high	97.4	Very high	26 Å²	26	25.5 Å²	25.5	10%	0.098	13%	0.126	C	C	.	.			trans	-114.6	175.5	178.2	-67.3	-177	59.9	73.5	-3	111.5	Q323 V326 S330 T355 T356 E358 E365	Q323-R328 HydrophobicContact CB-CB 4.29Å; Q323-R328 WeakPolarHBondContact CB-O 3.49Å; Q323-R328 PolarHBondContact O-N 3.44Å; V326-R328 VanDerWaalsContact C-N 3.33Å; V326-R328 HydrophobicContact CB-CG 4.47Å; V326-R328 HydrophobicContact CG2-CB 4.2Å; V326-R328 HydrophobicContact CG2-CG 3.86Å; V326-R328 PolarHBondContact O-N 2.92Å; R328-S330 WeakPolarHBondContact CB-O 3.4Å; R328-S330 PolarHBondContact NE-O 2.82Å; R328-T355 PolarHBondContact NH2-OG1 3.28Å; R328-T356 PolarHBondContact NH2-O 3.38Å; R328-E358 IonicContact CZ-OE1 2.72Å; R328-E358 IonicContact NE-OE1 2.73Å; R328-E358 IonicContact NH2-OE1 2.77Å; R328-E358 PolarHBondContact NH2-OE1 2.77Å; R328-E365 IonicContact CZ-OE2 2.89Å; R328-E365 VanDerWaalsContact NH1-CB 3.33Å; R328-E365 IonicContact NH1-OE2 2.77Å; R328-E365 PolarHBondContact NH1-OE2 3.3Å; R328-E365 IonicContact NH2-OE2 3.43Å; R328-E365 PolarHBondContact NH2-OE2 2.91Å
329	K	95.6	Very high	97.3	Very high	163 Å²	163	28.3 Å²	28.3	71%	0.709	14%	0.137	S	C	*	.	S	Bend	trans	-105.1	-7.5	171.8	-62.1	178.1	-176.5	172	0	113.3	Q323 E358	Q323-K329 PolarHBondContact NE2-O 3.16Å; Q323-K329 PolarHBondContact OE1-O 3.12Å; K329-E358 WeakPolarHBondContact CA-OE1 3.22Å; K329-E358 PolarHBondContact N-OE1 2.7Å; K329-E358 PolarHBondContact N-OE2 2.9Å
330	S	95.8	Very high	97.3	Very high	16 Å²	16	29.4 Å²	29.4	11%	0.112	15%	0.146	C	C	.	.	S	Bend	trans	-136.9	144.1	176.5	62.8	0	0	0	0	110.4	R328 T355 T356 E358	R328-S330 WeakPolarHBondContact CB-O 3.4Å; R328-S330 PolarHBondContact NE-O 2.82Å; S330-T355 PolarHBondContact OG-OG1 2.57Å; S330-T356 PolarHBondContact OG-O 3.45Å; S330-E358 WeakPolarHBondContact CB-OE1 3.37Å; S330-E358 PolarHBondContact N-OE1 3.12Å; S330-E358 PolarHBondContact OG-OE1 2.79Å
331	D	97.7	Very high	97.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.146	C	C	.	.			trans	-63.7	158.2	176.3	-64.6	-15.3	0	0	0	112.3	H187 I321 P322 Q323 Y333 T355	H187-D331 IonicContact CE1-OD1 3.81Å; H187-D331 PolarHBondContact CE1-OD1 2.94Å; H187-D331 IonicContact CE1-OD2 2.72Å; H187-D331 IonicContact CG-OD1 2.7Å; H187-D331 IonicContact CG-OD2 2.67Å; H187-D331 IonicContact ND1-OD1 3.1Å; H187-D331 PolarHBondContact ND1-OD1 2.83Å; H187-D331 IonicContact ND1-OD2 2.64Å; H187-D331 PolarHBondContact ND1-OD2 3.32Å; I321-D331 WeakPolarHBondContact O-CA 3.38Å; P322-D331 WeakPolarHBondContact CA-OD1 3.19Å; Q323-D331 PolarHBondContact N-OD1 2.67Å; D331-Y333 HydrophobicContact CB-CE1 4.1Å; D331-Y333 HydrophobicContact CB-CE2 3.88Å; D331-Y333 WeakPolarHBondContact CB-OH 3.4Å; D331-Y333 PolarHBondContact OD2-OH 2.76Å; D331-T355 WeakPolarHBondContact O-CB 3.31Å; D331-T355 PolarHBondContact O-OG1 2.96Å
332	I	98.5	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.9	164.4	-49.9	163.1	0	0	0	107.8	I321 V326 V353 T355 E365 I366 A369	I321-I332 HydrophobicContact CB-CB 4.01Å; I321-I332 WeakPolarHBondContact CB-O 3.26Å; I321-I332 HydrophobicContact CD1-CB 4.23Å; I321-I332 HydrophobicContact CD1-CG2 4.37Å; I321-I332 HydrophobicContact CG1-CB 4.37Å; I321-I332 PolarHBondContact N-O 3.22Å; I321-I332 PolarHBondContact O-N 3.33Å; V326-I332 HydrophobicContact CG2-CD1 4.15Å; I332-V353 HydrophobicContact CG2-CG1 3.73Å; I332-T355 HydrophobicContact CG1-CG2 4.32Å; I332-E365 VanDerWaalsContact CD1-O 3.27Å; I332-E365 WeakPolarHBondContact CD1-O 3.21Å; I332-I366 HydrophobicContact CG2-CG2 4.35Å; I332-A369 HydrophobicContact CG2-CB 3.88Å
333	Y	98.6	Very high	97.4	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.027	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.6	179.1	-55.8	-82.5	0	0	0	109.9	I320 D331 V353 S354 A406 T407 T408	I320-Y333 HydrophobicContact CG1-CD1 4.1Å; I320-Y333 HydrophobicContact CG1-CE1 4.36Å; I320-Y333 HydrophobicContact CG2-CE1 4.33Å; D331-Y333 HydrophobicContact CB-CE1 4.1Å; D331-Y333 HydrophobicContact CB-CE2 3.88Å; D331-Y333 WeakPolarHBondContact CB-OH 3.4Å; D331-Y333 PolarHBondContact OD2-OH 2.76Å; Y333-V353 CarbonylContact O-C 3.48Å; Y333-V353 VanDerWaalsContact O-CA 3.32Å; Y333-V353 WeakPolarHBondContact O-CA 3.12Å; Y333-S354 PolarHBondContact N-O 3.04Å; Y333-S354 PolarHBondContact O-N 3.32Å; Y333-A406 VanDerWaalsContact CD2-O 3.24Å; Y333-A406 WeakPolarHBondContact CD2-O 3.44Å; Y333-T407 HydrophobicContact CE2-CG2 4.19Å; Y333-T408 HydrophobicContact CG-CG2 4.41Å
334	V	98.8	Very high	97.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.5	164.4	-168.7	0	0	0	0	108.2	Q318 I319 A351 I352 V353 A369 L373	Q318-V334 CarbonylContact C-O 3.58Å; I319-V334 HydrophobicContact CB-CB 4.03Å; I319-V334 HydrophobicContact CB-CG2 4.49Å; I319-V334 HydrophobicContact CD1-CB 4.42Å; I319-V334 HydrophobicContact CG1-CB 4.42Å; I319-V334 PolarHBondContact N-O 3.29Å; I319-V334 PolarHBondContact O-N 2.87Å; V334-A351 HydrophobicContact CG1-CB 4.27Å; V334-I352 WeakPolarHBondContact CA-O 3.44Å; V334-V353 HydrophobicContact CG1-CG2 4.32Å; V334-V353 HydrophobicContact CG2-CG1 4.46Å; V334-V353 HydrophobicContact CG2-CG2 4.08Å; V334-A369 HydrophobicContact CG2-CB 3.8Å; V334-L373 HydrophobicContact CG1-CD1 4.47Å; V334-L373 HydrophobicContact CG1-CD2 4.26Å
335	C	97.9	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.3	163.2	61.5	0	0	0	0	109	P78 F80 C317 A351 I352 T408	P78-C335 VanDerWaalsContact CB-SG 3.54Å; P78-C335 WeakPolarHBondContact CG-SG 3.33Å; F80-C335 HydrophobicContact CD2-CB 4.35Å; F80-C335 HydrophobicContact CE2-CB 3.59Å; F80-C335 HydrophobicContact CZ-CB 3.74Å; C317-C335 WeakPolarHBondContact O-CA 3.31Å; C335-A351 CarbonylContact O-C 3.59Å; C335-A351 WeakPolarHBondContact O-CA 3.4Å; C335-I352 PolarHBondContact N-O 2.81Å; C335-I352 VanDerWaalsContact N-O 3.11Å; C335-I352 PolarHBondContact O-N 2.95Å; C335-T408 HydrophobicContact CB-CG2 3.88Å
336	M	98.8	Very high	97.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.9	175.2	-179.1	-81.3	-75.9	0	0	109.7	I308 A314 S316 C317 Y349 I350 A351	I308-M336 HydrophobicContact CD1-CB 3.72Å; I308-M336 HydrophobicContact CD1-CE 4.45Å; I308-M336 HydrophobicContact CD1-CG 3.97Å; I308-M336 HydrophobicContact CG1-CE 4.5Å; I308-M336 HydrophobicContact CG1-CG 4.45Å; A314-M336 WeakPolarHBondContact O-CE 3.44Å; S316-M336 CarbonylContact C-O 3.56Å; S316-M336 WeakPolarHBondContact CA-O 3.41Å; S316-M336 VanDerWaalsContact CB-O 3.29Å; S316-M336 WeakPolarHBondContact CB-O 3.49Å; C317-M336 PolarHBondContact N-O 3.36Å; C317-M336 PolarHBondContact O-N 2.74Å; M336-Y349 HydrophobicContact CE-CD1 4.12Å; M336-Y349 HydrophobicContact SD-CD1 3.66Å; M336-Y349 HydrophobicContact SD-CG 4.43Å; M336-I350 VanDerWaalsContact CA-O 3.28Å; M336-I350 WeakPolarHBondContact CA-O 3.32Å; M336-A351 HydrophobicContact CB-CB 4.15Å; M336-A351 HydrophobicContact CG-CB 4.13Å
337	I	98.7	Very high	97.9	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	162.5	170.1	53.4	-88.1	0	0	0	108.7	P78 F80 Y226 V343 I350	P78-I337 HydrophobicContact CB-CD1 4.35Å; F80-I337 HydrophobicContact CE1-CG2 3.8Å; F80-I337 HydrophobicContact CZ-CG2 4.16Å; Y226-I337 HydrophobicContact CD1-CG2 3.85Å; Y226-I337 HydrophobicContact CD2-CG2 4.48Å; Y226-I337 HydrophobicContact CE1-CB 4.34Å; Y226-I337 HydrophobicContact CE1-CG1 4.22Å; Y226-I337 HydrophobicContact CE1-CG2 3.91Å; Y226-I337 HydrophobicContact CG-CG2 4.11Å; I337-V343 HydrophobicContact CB-CG2 4.04Å; I337-V343 HydrophobicContact CG1-CG2 3.71Å; I337-I350 PolarHBondContact N-O 2.77Å; I337-I350 PolarHBondContact O-N 3.32Å
338	S	98.8	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	-173.8	-172.3	83.4	0	0	0	0	112.1	N315 A340 H341 V343 K348 Y349	N315-S338 VanDerWaalsContact O-CB 3.29Å; N315-S338 WeakPolarHBondContact O-CB 3.47Å; N315-S338 PolarHBondContact O-OG 3.18Å; S338-A340 PolarHBondContact O-N 2.89Å; S338-A340 PolarHBondContact OG-N 3.48Å; S338-A340 VanDerWaalsContact OG-N 3.11Å; S338-H341 PolarHBondContact O-N 2.84Å; S338-V343 WeakPolarHBondContact O-CG2 3.19Å; S338-K348 WeakPolarHBondContact CA-O 3.3Å; S338-K348 WeakPolarHBondContact CB-O 3.43Å; S338-Y349 VanDerWaalsContact CB-CD1 3.42Å
339	Y	98.3	Very high	98.2	Very high	59 Å²	59	26.6 Å²	26.6	23%	0.231	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-45.2	-27.2	167	68.3	-91.3	0	0	0	114.3	N315 H341 N342 A344 A345 Q346 K348 Y349	N315-Y339 PolarHBondContact OD1-OH 2.83Å; N315-Y339 VanDerWaalsContact OD1-OH 3.07Å; Y339-H341 PolarHBondContact O-N 2.88Å; Y339-N342 PolarHBondContact O-N 2.49Å; Y339-A344 VanDerWaalsContact CA-O 3.32Å; Y339-A344 WeakPolarHBondContact CA-O 3.37Å; Y339-A344 WeakPolarHBondContact CB-O 3.43Å; Y339-A345 WeakPolarHBondContact CB-O 3.45Å; Y339-Q346 VanDerWaalsContact CE2-NE2 3.29Å; Y339-K348 PolarHBondContact N-O 3.1Å; Y339-Y349 HydrophobicContact CE1-CE1 4.47Å; Y339-Y349 HydrophobicContact CE1-CE2 4.47Å
340	A	98.3	Very high	98.4	Very high	23 Å²	23	18.9 Å²	18.9	19%	0.19	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-65.5	-16	177.2	0	0	0	0	0	114.2	K103 N315 S338	K103-A340 WeakPolarHBondContact CD-O 3.14Å; K103-A340 WeakPolarHBondContact CE-O 3.43Å; N315-A340 HydrophobicContact CB-CB 3.64Å; S338-A340 PolarHBondContact O-N 2.89Å; S338-A340 PolarHBondContact OG-N 3.48Å; S338-A340 VanDerWaalsContact OG-N 3.11Å
341	H	98.6	Very high	98.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-107.8	9.2	173.2	-66	77.4	0	0	0	112.4	Y226 L228 Y229 S316 S338 Y339 V343	Y226-H341 HydrophobicContact CD1-CB 4.22Å; Y226-H341 AromaticContact CD1-CD2 3.7Å; Y226-H341 HydrophobicContact CE1-CB 4.44Å; L228-H341 CarbonylContact C-O 3.59Å; L228-H341 WeakPolarHBondContact CA-O 3.28Å; Y229-H341 PolarHBondContact N-O 3.3Å; S316-H341 WeakPolarHBondContact CB-CE1 3.5Å; S316-H341 PolarHBondContact OG-CE1 3.26Å; S316-H341 VanDerWaalsContact OG-CE1 3.24Å; S338-H341 PolarHBondContact O-N 2.84Å; Y339-H341 PolarHBondContact O-N 2.88Å; H341-V343 HydrophobicContact CB-CG1 4.39Å; H341-V343 HydrophobicContact CB-CG2 4.19Å; H341-V343 PolarHBondContact O-N 3.01Å
342	N	98.6	Very high	98.6	Very high	60 Å²	60	18.1 Å²	18.1	32%	0.321	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	32.1	-176.9	-53.1	-20.2	0	0	0	114.4	N73 Y229 Y339	N73-N342 PolarHBondContact ND2-O 2.63Å; 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 3.32Å; Y229-N342 HydrophobicContact CG-CB 4.18Å; Y229-N342 PolarHBondContact OH-ND2 2.67Å; Y339-N342 PolarHBondContact O-N 2.49Å
343	V	98.5	Very high	98.6	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	10%	0.097	C	C	.	.	S	Bend	trans	-106.6	-8.5	178.3	-66.7	0	0	0	0	113.5	D71 W72 N73 Y226 I337 S338 H341 I350	D71-V343 CarbonylContact O-C 3.45Å; W72-V343 CarbonylContact C-O 3.53Å; W72-V343 VanDerWaalsContact CA-O 3.3Å; W72-V343 WeakPolarHBondContact CA-O 3.44Å; N73-V343 HydrophobicContact CB-CG1 4.42Å; N73-V343 PolarHBondContact N-O 2.94Å; N73-V343 WeakPolarHBondContact O-CB 3.37Å; Y226-V343 HydrophobicContact CE1-CG1 4.05Å; I337-V343 HydrophobicContact CB-CG2 4.04Å; I337-V343 HydrophobicContact CG1-CG2 3.71Å; S338-V343 WeakPolarHBondContact O-CG2 3.19Å; H341-V343 HydrophobicContact CB-CG1 4.39Å; H341-V343 HydrophobicContact CB-CG2 4.19Å; H341-V343 PolarHBondContact O-N 3.01Å; V343-I350 HydrophobicContact CB-CD1 4.2Å; V343-I350 HydrophobicContact CG2-CD1 4.07Å; V343-I350 VanDerWaalsContact O-CD1 3.25Å; V343-I350 WeakPolarHBondContact O-CD1 3.26Å
344	A	98.7	Very high	98.6	Very high	5 Å²	5	18 Å²	18	4%	0.041	10%	0.097	C	C	.	.	S	Bend	trans	-146.3	157.5	-180	0	0	0	0	0	110.6	D71 W72 Y339 K348 I350	D71-A344 CarbonylContact O-C 3.23Å; D71-A344 VanDerWaalsContact O-C 3.23Å; D71-A344 WeakPolarHBondContact O-CA 3.4Å; D71-A344 PolarHBondContact O-N 3.01Å; W72-A344 HydrophobicContact CD2-CB 4.31Å; W72-A344 HydrophobicContact CE3-CB 3.87Å; W72-A344 HydrophobicContact CH2-CB 4.18Å; W72-A344 HydrophobicContact CZ3-CB 3.8Å; Y339-A344 VanDerWaalsContact CA-O 3.32Å; Y339-A344 WeakPolarHBondContact CA-O 3.37Å; Y339-A344 WeakPolarHBondContact CB-O 3.43Å; A344-K348 HydrophobicContact CB-CB 4.02Å; A344-I350 HydrophobicContact CB-CD1 3.92Å; A344-I350 HydrophobicContact CB-CG1 4.09Å
345	A	98.6	Very high	98.6	Very high	4 Å²	4	18 Å²	18	3%	0.033	10%	0.097	C	C	.	.	S	Bend	trans	-58.6	154.6	172.2	0	0	0	0	0	112.2	M66 D71 W72 Y339 G347 K348	M66-A345 VanDerWaalsContact O-CB 3.31Å; M66-A345 WeakPolarHBondContact O-CB 3.32Å; D71-A345 HydrophobicContact CB-CB 4.24Å; W72-A345 HydrophobicContact CZ2-CB 4.25Å; Y339-A345 WeakPolarHBondContact CB-O 3.45Å; A345-G347 PolarHBondContact O-N 2.82Å; A345-K348 HydrophobicContact CB-CG 4.39Å; A345-K348 VanDerWaalsContact O-CB 3.27Å; A345-K348 WeakPolarHBondContact O-CB 3.49Å; A345-K348 PolarHBondContact O-N 3.32Å
346	Q	98.1	Very high	98.6	Very high	152 Å²	152	20.5 Å²	20.5	71%	0.71	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	128.3	-177.2	-174.3	61.8	35.2	0	0	112.5	Y339 K348	Y339-Q346 VanDerWaalsContact CE2-NE2 3.29Å; Q346-K348 VanDerWaalsContact C-N 3.29Å
347	G	98	Very high	98.5	Very high	30 Å²	30	21.8 Å²	21.8	31%	0.309	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	0.8	-179.6	0	0	0	0	0	115.1	A345 Y349	A345-G347 PolarHBondContact O-N 2.82Å; G347-Y349 WeakPolarHBondContact O-CE2 3.42Å
348	K	98.8	Very high	98.5	Very high	16 Å²	16	25.2 Å²	25.2	7%	0.07	14%	0.136	C	C	.	.			trans	-101.2	148.5	176.7	-60.3	-63.8	-169	170.6	0	112.5	S65 W72 I303 L304 S305 S338 Y339 A344 A345 Q346 D377	S65-K348 WeakPolarHBondContact O-CE 3.48Å; S65-K348 PolarHBondContact O-NZ 2.71Å; S65-K348 VanDerWaalsContact O-NZ 3.09Å; W72-K348 HydrophobicContact CH2-CB 3.66Å; W72-K348 HydrophobicContact CH2-CG 3.95Å; W72-K348 HydrophobicContact CZ2-CB 3.93Å; W72-K348 HydrophobicContact CZ2-CG 3.82Å; I303-K348 HydrophobicContact CG2-CD 4.45Å; L304-K348 WeakPolarHBondContact O-CA 3.24Å; S305-K348 PolarHBondContact OG-NZ 3.44Å; S338-K348 WeakPolarHBondContact CA-O 3.3Å; S338-K348 WeakPolarHBondContact CB-O 3.43Å; Y339-K348 PolarHBondContact N-O 3.1Å; A344-K348 HydrophobicContact CB-CB 4.02Å; A345-K348 HydrophobicContact CB-CG 4.39Å; A345-K348 VanDerWaalsContact O-CB 3.27Å; A345-K348 WeakPolarHBondContact O-CB 3.49Å; A345-K348 PolarHBondContact O-N 3.32Å; Q346-K348 VanDerWaalsContact C-N 3.29Å; K348-D377 IonicContact NZ-OD2 2.87Å; K348-D377 PolarHBondContact NZ-OD2 2.86Å
349	Y	98.9	Very high	98.4	Very high	19 Å²	19	28.4 Å²	28.4	8%	0.075	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.5	179.4	-52.8	-105.2	0	0	0	109	I303 L304 H306 P307 M336 S338 Y339 G347	I303-Y349 WeakPolarHBondContact CA-O 3.31Å; L304-Y349 PolarHBondContact N-O 2.66Å; L304-Y349 PolarHBondContact O-N 3.29Å; H306-Y349 VanDerWaalsContact C-CE2 3.43Å; H306-Y349 VanDerWaalsContact O-CD2 3.3Å; H306-Y349 WeakPolarHBondContact O-CD2 3.34Å; P307-Y349 HydrophobicContact CB-CE1 4.1Å; M336-Y349 HydrophobicContact CE-CD1 4.12Å; M336-Y349 HydrophobicContact SD-CD1 3.66Å; M336-Y349 HydrophobicContact SD-CG 4.43Å; S338-Y349 VanDerWaalsContact CB-CD1 3.42Å; Y339-Y349 HydrophobicContact CE1-CE1 4.47Å; Y339-Y349 HydrophobicContact CE1-CE2 4.47Å; G347-Y349 WeakPolarHBondContact O-CE2 3.42Å
350	I	98.9	Very high	98.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.5	175	-57.4	164.8	0	0	0	105.9	W72 V74 I301 C302 M336 I337 V343 A344 I352	W72-I350 HydrophobicContact CE3-CD1 4Å; W72-I350 HydrophobicContact CE3-CG1 4.22Å; W72-I350 HydrophobicContact CZ3-CD1 4.1Å; W72-I350 HydrophobicContact CZ3-CG1 3.8Å; V74-I350 HydrophobicContact CG1-CG2 4.35Å; V74-I350 HydrophobicContact CG2-CD1 3.93Å; I301-I350 HydrophobicContact CG2-CG2 3.83Å; C302-I350 WeakPolarHBondContact O-CA 3.27Å; M336-I350 VanDerWaalsContact CA-O 3.28Å; M336-I350 WeakPolarHBondContact CA-O 3.32Å; I337-I350 PolarHBondContact N-O 2.77Å; I337-I350 PolarHBondContact O-N 3.32Å; V343-I350 HydrophobicContact CB-CD1 4.2Å; V343-I350 HydrophobicContact CG2-CD1 4.07Å; V343-I350 VanDerWaalsContact O-CD1 3.25Å; V343-I350 WeakPolarHBondContact O-CD1 3.26Å; A344-I350 HydrophobicContact CB-CD1 3.92Å; A344-I350 HydrophobicContact CB-CG1 4.09Å; I350-I352 HydrophobicContact CG2-CD1 3.73Å; I350-I352 HydrophobicContact CG2-CG1 3.79Å
351	A	98.8	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.2	172	0	0	0	0	0	108.7	C302 L304 I308 V334 C335 M336 L373	C302-A351 WeakPolarHBondContact CA-O 3.37Å; C302-A351 HydrophobicContact CB-CB 4.43Å; C302-A351 WeakPolarHBondContact CB-O 3.35Å; C302-A351 PolarHBondContact N-O 3.41Å; C302-A351 PolarHBondContact O-N 2.78Å; L304-A351 HydrophobicContact CD1-CB 3.92Å; L304-A351 HydrophobicContact CG-CB 4.44Å; I308-A351 HydrophobicContact CD1-CB 4.32Å; V334-A351 HydrophobicContact CG1-CB 4.27Å; C335-A351 CarbonylContact O-C 3.59Å; C335-A351 WeakPolarHBondContact O-CA 3.4Å; M336-A351 HydrophobicContact CB-CB 4.15Å; M336-A351 HydrophobicContact CG-CB 4.13Å; A351-L373 HydrophobicContact CB-CD1 3.81Å; A351-L373 HydrophobicContact CB-CD2 3.9Å; A351-L373 HydrophobicContact CB-CG 4.47Å
352	I	98.8	Very high	98.2	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	118	-175.8	-56.3	179.2	0	0	0	107.7	D75 P78 V300 I301 V334 C335 I350	D75-I352 WeakPolarHBondContact O-CD1 3.48Å; P78-I352 HydrophobicContact CB-CD1 4.06Å; P78-I352 HydrophobicContact CG-CB 3.68Å; P78-I352 HydrophobicContact CG-CD1 3.4Å; P78-I352 HydrophobicContact CG-CG1 4Å; P78-I352 HydrophobicContact CG-CG2 3.73Å; V300-I352 WeakPolarHBondContact O-CA 3.49Å; I301-I352 HydrophobicContact CB-CG1 4.31Å; I301-I352 HydrophobicContact CG1-CD1 4.05Å; I301-I352 HydrophobicContact CG1-CG1 4.04Å; I301-I352 HydrophobicContact CG1-CG2 4.19Å; I301-I352 HydrophobicContact CG2-CD1 4.31Å; I301-I352 HydrophobicContact CG2-CG1 4.14Å; V334-I352 WeakPolarHBondContact CA-O 3.44Å; C335-I352 PolarHBondContact N-O 2.81Å; C335-I352 VanDerWaalsContact N-O 3.11Å; C335-I352 PolarHBondContact O-N 2.95Å; I350-I352 HydrophobicContact CG2-CD1 3.73Å; I350-I352 HydrophobicContact CG2-CG1 3.79Å
353	V	98.8	Very high	98.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.3	179.7	-174.4	0	0	0	0	109.1	R299 V300 I332 Y333 V334 I366 A369 L370 L373	R299-V353 CarbonylContact C-O 3.5Å; R299-V353 VanDerWaalsContact CA-O 3.26Å; R299-V353 WeakPolarHBondContact CA-O 3.46Å; V300-V353 PolarHBondContact N-O 3.24Å; V300-V353 PolarHBondContact O-N 3.06Å; I332-V353 HydrophobicContact CG2-CG1 3.73Å; Y333-V353 CarbonylContact O-C 3.48Å; Y333-V353 VanDerWaalsContact O-CA 3.32Å; Y333-V353 WeakPolarHBondContact O-CA 3.12Å; V334-V353 HydrophobicContact CG1-CG2 4.32Å; V334-V353 HydrophobicContact CG2-CG1 4.46Å; V334-V353 HydrophobicContact CG2-CG2 4.08Å; V353-I366 HydrophobicContact CG1-CB 3.84Å; V353-I366 HydrophobicContact CG1-CD1 4.26Å; V353-I366 HydrophobicContact CG1-CG2 3.94Å; V353-A369 HydrophobicContact CB-CB 4.5Å; V353-A369 HydrophobicContact CG1-CB 3.52Å; V353-A369 HydrophobicContact CG2-CB 4.12Å; V353-L370 HydrophobicContact CG2-CD2 4.12Å; V353-L373 HydrophobicContact CG2-CD1 3.69Å
354	S	98.6	Very high	98	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.8	176.8	54.8	0	0	0	0	113.8	I298 Y333 A406	I298-S354 VanDerWaalsContact O-CA 3.27Å; I298-S354 WeakPolarHBondContact O-CA 3.34Å; Y333-S354 PolarHBondContact N-O 3.04Å; Y333-S354 PolarHBondContact O-N 3.32Å; S354-A406 PolarHBondContact OG-O 2.9Å
355	T	98.4	Very high	98	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	164.6	171	-168.1	0	0	0	0	110.7	V297 I298 R328 S330 D331 I332 I366	V297-T355 WeakPolarHBondContact CA-O 3.44Å; V297-T355 WeakPolarHBondContact CG1-O 3.36Å; I298-T355 HydrophobicContact CG2-CG2 3.61Å; I298-T355 PolarHBondContact N-O 2.99Å; I298-T355 VanDerWaalsContact N-O 3.11Å; I298-T355 PolarHBondContact O-N 2.93Å; R328-T355 PolarHBondContact NH2-OG1 3.28Å; S330-T355 PolarHBondContact OG-OG1 2.57Å; D331-T355 WeakPolarHBondContact O-CB 3.31Å; D331-T355 PolarHBondContact O-OG1 2.96Å; I332-T355 HydrophobicContact CG1-CG2 4.32Å; T355-I366 HydrophobicContact CG2-CG2 3.57Å
356	T	97.9	Very high	98	Very high	52 Å²	52	44.3 Å²	44.3	32%	0.319	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	134.8	170.6	-54.7	0	0	0	0	108.5	R328 S330 E358	R328-T356 PolarHBondContact NH2-O 3.38Å; S330-T356 PolarHBondContact OG-O 3.45Å; T356-E358 PolarHBondContact O-N 3.34Å
357	V	98.3	Very high	98	Very high	28 Å²	28	42.5 Å²	42.5	17%	0.17	23%	0.232	C	C	.	.			trans	-71.9	126.1	-179.4	179.7	0	0	0	0	110.2	Q296 I298 T359 P362 L383	Q296-V357 HydrophobicContact CB-CB 4.18Å; Q296-V357 HydrophobicContact CB-CG2 4.14Å; Q296-V357 HydrophobicContact CG-CB 4.47Å; Q296-V357 HydrophobicContact CG-CG2 3.96Å; Q296-V357 PolarHBondContact O-N 2.72Å; I298-V357 HydrophobicContact CB-CG2 4.21Å; I298-V357 HydrophobicContact CG2-CG2 4.38Å; V357-T359 VanDerWaalsContact CG1-O 3.3Å; V357-T359 WeakPolarHBondContact CG1-O 3.41Å; V357-P362 HydrophobicContact CG1-CB 4.2Å; V357-P362 HydrophobicContact CG1-CG 3.8Å; V357-P362 HydrophobicContact CG2-CB 4.16Å; V357-P362 HydrophobicContact CG2-CG 4.4Å; V357-L383 HydrophobicContact CG2-CD2 3.94Å
358	E	97.6	Very high	98	Very high	73 Å²	73	42.5 Å²	42.5	34%	0.341	23%	0.227	S	C	.	.			trans	-114.7	-15.1	179.8	-68.5	179.4	-150.6	0	0	113.1	R328 K329 S330 T356 E365	R328-E358 IonicContact CZ-OE1 2.72Å; R328-E358 IonicContact NE-OE1 2.73Å; R328-E358 IonicContact NH2-OE1 2.77Å; R328-E358 PolarHBondContact NH2-OE1 2.77Å; K329-E358 WeakPolarHBondContact CA-OE1 3.22Å; K329-E358 PolarHBondContact N-OE1 2.7Å; K329-E358 PolarHBondContact N-OE2 2.9Å; S330-E358 WeakPolarHBondContact CB-OE1 3.37Å; S330-E358 PolarHBondContact N-OE1 3.12Å; S330-E358 PolarHBondContact OG-OE1 2.79Å; T356-E358 PolarHBondContact O-N 3.34Å; E358-E365 PolarHBondContact N-OE1 3.19Å; E358-E365 PolarHBondContact N-OE2 3.32Å
359	T	97.1	Very high	98	Very high	68 Å²	68	41.8 Å²	41.8	42%	0.417	22%	0.224	S	C	.	.	S	Bend	trans	-133.6	178.5	-172.8	82.1	0	0	0	0	112.2	V357 E361 E365	V357-T359 VanDerWaalsContact CG1-O 3.3Å; V357-T359 WeakPolarHBondContact CG1-O 3.41Å; T359-E361 VanDerWaalsContact C-N 3.31Å; T359-E361 PolarHBondContact OG1-N 2.88Å; T359-E361 VanDerWaalsContact OG1-N 3.1Å; T359-E365 WeakPolarHBondContact CA-OE1 3.17Å; T359-E365 VanDerWaalsContact CB-OE1 3.25Å; T359-E365 WeakPolarHBondContact CB-OE1 3.35Å; T359-E365 HydrophobicContact CG2-CG 4.07Å; T359-E365 PolarHBondContact N-OE1 3.44Å; T359-E365 WeakPolarHBondContact OG1-CG 3.43Å; T359-E365 PolarHBondContact OG1-OE1 2.97Å
360	N	96.6	Very high	97.9	Very high	167 Å²	167	41.8 Å²	41.8	89%	0.893	23%	0.225	S	C	*	.	S	Bend	trans	-87	1	174.3	-63.3	-35.5	0	0	0	113.2	P362	N360-P362 VanDerWaalsContact C-CD 3.48Å; N360-P362 WeakPolarHBondContact O-CD 3.41Å
361	E	96.8	Very high	97.9	Very high	139 Å²	139	47.4 Å²	47.4	65%	0.65	25%	0.251	S	S	*	.			trans	-123.6	69.8	177.7	-65.3	-175.2	178.6	0	0	110.4	T359 E363 A364	T359-E361 VanDerWaalsContact C-N 3.31Å; T359-E361 PolarHBondContact OG1-N 2.88Å; T359-E361 VanDerWaalsContact OG1-N 3.1Å; E361-E363 VanDerWaalsContact C-N 3.28Å; E361-E363 PolarHBondContact O-N 3.3Å; E361-E363 VanDerWaalsContact O-N 3.15Å; E361-A364 HydrophobicContact CB-CB 4.16Å; E361-A364 WeakPolarHBondContact O-CB 3.36Å; E361-A364 PolarHBondContact O-N 2.6Å
362	P	97.1	Very high	97.9	Very high	22 Å²	22	48.8 Å²	48.8	14%	0.143	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.7	-168.2	-26.4	37.3	0	0	0	114.8	I298 V357 N360 E365 L383	I298-P362 HydrophobicContact CB-CB 4.27Å; I298-P362 HydrophobicContact CD1-CB 3.9Å; I298-P362 VanDerWaalsContact CD1-O 3.32Å; I298-P362 WeakPolarHBondContact CD1-O 3.4Å; V357-P362 HydrophobicContact CG1-CB 4.2Å; V357-P362 HydrophobicContact CG1-CG 3.8Å; V357-P362 HydrophobicContact CG2-CB 4.16Å; V357-P362 HydrophobicContact CG2-CG 4.4Å; N360-P362 VanDerWaalsContact C-CD 3.48Å; N360-P362 WeakPolarHBondContact O-CD 3.41Å; P362-E365 WeakPolarHBondContact O-CB 3.49Å; P362-E365 PolarHBondContact O-N 2.78Å; P362-L383 HydrophobicContact CB-CD2 3.76Å; P362-L383 HydrophobicContact CG-CD1 4.28Å; P362-L383 HydrophobicContact CG-CD2 3.97Å
363	E	96.6	Very high	97.9	Very high	95 Å²	95	48.7 Å²	48.7	44%	0.444	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-30.4	177	-73.7	-170.9	-121.1	0	0	113	I298 E361 E365 I366 V381	I298-E363 HydrophobicContact CD1-CG 3.96Å; E361-E363 VanDerWaalsContact C-N 3.28Å; E361-E363 PolarHBondContact O-N 3.3Å; E361-E363 VanDerWaalsContact O-N 3.15Å; E363-E365 VanDerWaalsContact C-N 3.26Å; E363-E365 PolarHBondContact O-N 3.37Å; E363-I366 WeakPolarHBondContact O-CG1 3.28Å; E363-I366 PolarHBondContact O-N 3.29Å; E363-V381 HydrophobicContact CG-CG1 3.99Å
364	A	97.4	Very high	97.8	Very high	49 Å²	49	55.3 Å²	55.3	41%	0.405	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-69.7	-28.6	175.9	0	0	0	0	0	111.4	E361 I366 E367	E361-A364 HydrophobicContact CB-CB 4.16Å; E361-A364 WeakPolarHBondContact O-CB 3.36Å; E361-A364 PolarHBondContact O-N 2.6Å; A364-I366 PolarHBondContact O-N 3.17Å; A364-E367 WeakPolarHBondContact O-CB 3.47Å; A364-E367 PolarHBondContact O-N 3.03Å
365	E	98.1	Very high	97.8	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.065	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-63.7	-24.6	179.6	-64.9	-177.7	-140.6	0	0	113.7	R328 I332 E358 T359 P362 E363	R328-E365 IonicContact CZ-OE2 2.89Å; R328-E365 VanDerWaalsContact NH1-CB 3.33Å; R328-E365 IonicContact NH1-OE2 2.77Å; R328-E365 PolarHBondContact NH1-OE2 3.3Å; R328-E365 IonicContact NH2-OE2 3.43Å; R328-E365 PolarHBondContact NH2-OE2 2.91Å; I332-E365 VanDerWaalsContact CD1-O 3.27Å; I332-E365 WeakPolarHBondContact CD1-O 3.21Å; E358-E365 PolarHBondContact N-OE1 3.19Å; E358-E365 PolarHBondContact N-OE2 3.32Å; T359-E365 WeakPolarHBondContact CA-OE1 3.17Å; T359-E365 VanDerWaalsContact CB-OE1 3.25Å; T359-E365 WeakPolarHBondContact CB-OE1 3.35Å; T359-E365 HydrophobicContact CG2-CG 4.07Å; T359-E365 PolarHBondContact N-OE1 3.44Å; T359-E365 WeakPolarHBondContact OG1-CG 3.43Å; T359-E365 PolarHBondContact OG1-OE1 2.97Å; P362-E365 WeakPolarHBondContact O-CB 3.49Å; P362-E365 PolarHBondContact O-N 2.78Å; E363-E365 VanDerWaalsContact C-N 3.26Å; E363-E365 PolarHBondContact O-N 3.37Å
366	I	97.8	Very high	97.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-105.2	5.1	-176.6	61.2	161.9	0	0	0	113.4	I298 V300 I332 V353 T355 E363 A364 P368 A369 L370	I298-I366 HydrophobicContact CD1-CD1 3.98Å; I298-I366 HydrophobicContact CD1-CG1 4.38Å; I298-I366 HydrophobicContact CG2-CG2 3.9Å; V300-I366 HydrophobicContact CB-CD1 3.81Å; V300-I366 HydrophobicContact CG2-CD1 3.27Å; I332-I366 HydrophobicContact CG2-CG2 4.35Å; V353-I366 HydrophobicContact CG1-CB 3.84Å; V353-I366 HydrophobicContact CG1-CD1 4.26Å; V353-I366 HydrophobicContact CG1-CG2 3.94Å; T355-I366 HydrophobicContact CG2-CG2 3.57Å; E363-I366 WeakPolarHBondContact O-CG1 3.28Å; E363-I366 PolarHBondContact O-N 3.29Å; A364-I366 PolarHBondContact O-N 3.17Å; I366-P368 VanDerWaalsContact C-CD 3.42Å; I366-P368 VanDerWaalsContact C-N 3.33Å; I366-A369 WeakPolarHBondContact O-CB 3.45Å; I366-A369 PolarHBondContact O-N 2.7Å; I366-L370 HydrophobicContact CD1-CD1 4.01Å; I366-L370 HydrophobicContact CD1-CD2 4.33Å; I366-L370 HydrophobicContact CD1-CG 4.17Å; I366-L370 HydrophobicContact CG1-CD1 4.13Å; I366-L370 HydrophobicContact CG1-CG 4.33Å; I366-L370 PolarHBondContact O-N 3.45Å; I366-L370 VanDerWaalsContact O-N 3.07Å
367	E	98.1	Very high	97.9	Very high	113 Å²	113	62.3 Å²	62.3	53%	0.528	33%	0.329	S	S	.	.	H	α-helix	trans	-51.4	-43.9	178.6	-174.7	172.3	-148.4	0	0	112.8	A364 A369 L370 E371	A364-E367 WeakPolarHBondContact O-CB 3.47Å; A364-E367 PolarHBondContact O-N 3.03Å; E367-A369 PolarHBondContact O-N 3.27Å; E367-A369 VanDerWaalsContact O-N 3.08Å; E367-L370 PolarHBondContact O-N 3.23Å; E367-E371 HydrophobicContact CG-CG 4.44Å; E367-E371 WeakPolarHBondContact O-CG 3.29Å; E367-E371 PolarHBondContact O-N 2.98Å
368	P	98.2	Very high	97.9	Very high	31 Å²	31	63.5 Å²	63.5	20%	0.201	33%	0.332	C	S	.	.	H	α-helix	trans	-59.2	-26.6	176.9	-25.1	35.3	0	0	0	114.4	V326 I366 L372	V326-P368 HydrophobicContact CG1-CB 3.87Å; V326-P368 HydrophobicContact CG1-CG 3.91Å; I366-P368 VanDerWaalsContact C-CD 3.42Å; I366-P368 VanDerWaalsContact C-N 3.33Å; P368-L372 WeakPolarHBondContact O-CG 3.07Å
369	A	98.5	Very high	97.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-82.1	-41.7	174.8	0	0	0	0	0	111.4	I321 I332 V334 V353 I366 E367 E371 L372 L373	I321-A369 HydrophobicContact CD1-CB 3.73Å; I332-A369 HydrophobicContact CG2-CB 3.88Å; V334-A369 HydrophobicContact CG2-CB 3.8Å; V353-A369 HydrophobicContact CB-CB 4.5Å; V353-A369 HydrophobicContact CG1-CB 3.52Å; V353-A369 HydrophobicContact CG2-CB 4.12Å; I366-A369 WeakPolarHBondContact O-CB 3.45Å; I366-A369 PolarHBondContact O-N 2.7Å; E367-A369 PolarHBondContact O-N 3.27Å; E367-A369 VanDerWaalsContact O-N 3.08Å; A369-E371 VanDerWaalsContact C-N 3.33Å; A369-E371 PolarHBondContact O-N 3.06Å; A369-L372 WeakPolarHBondContact O-CB 3.32Å; A369-L372 PolarHBondContact O-N 3.19Å; A369-L372 VanDerWaalsContact O-N 3.15Å; A369-L373 WeakPolarHBondContact O-CG 3.29Å
370	L	98.4	Very high	98	Very high	20 Å²	20	60.7 Å²	60.7	11%	0.105	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-37.8	179.6	-64.8	179.9	0	0	0	112.2	V300 V353 I366 E367 L372 L373 E374 I376	V300-L370 HydrophobicContact CG1-CD2 4.4Å; V353-L370 HydrophobicContact CG2-CD2 4.12Å; I366-L370 HydrophobicContact CD1-CD1 4.01Å; I366-L370 HydrophobicContact CD1-CD2 4.33Å; I366-L370 HydrophobicContact CD1-CG 4.17Å; I366-L370 HydrophobicContact CG1-CD1 4.13Å; I366-L370 HydrophobicContact CG1-CG 4.33Å; I366-L370 PolarHBondContact O-N 3.45Å; I366-L370 VanDerWaalsContact O-N 3.07Å; E367-L370 PolarHBondContact O-N 3.23Å; L370-L372 PolarHBondContact O-N 2.87Å; L370-L373 WeakPolarHBondContact O-CB 3.45Å; L370-L373 PolarHBondContact O-N 2.83Å; L370-E374 PolarHBondContact O-N 2.9Å; L370-I376 HydrophobicContact CD2-CD1 4.06Å
371	E	98.2	Very high	98	Very high	120 Å²	120	55.1 Å²	55.1	56%	0.561	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.8	174.6	-73.3	-177.9	163.4	0	0	113	E367 A369 L373	E367-E371 HydrophobicContact CG-CG 4.44Å; E367-E371 WeakPolarHBondContact O-CG 3.29Å; E367-E371 PolarHBondContact O-N 2.98Å; A369-E371 VanDerWaalsContact C-N 3.33Å; A369-E371 PolarHBondContact O-N 3.06Å; E371-L373 PolarHBondContact O-N 3.29Å
372	L	98.3	Very high	98.1	Very high	28 Å²	28	50 Å²	50	15%	0.147	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-20.7	176.8	-57.9	171.9	0	0	0	112.6	Y111 I116 I319 I321 P368 A369 L370	Y111-L372 HydrophobicContact CD2-CD1 4.1Å; Y111-L372 HydrophobicContact CD2-CD2 4.43Å; Y111-L372 HydrophobicContact CE2-CD2 4.38Å; I116-L372 HydrophobicContact CG2-CD1 3.75Å; I116-L372 HydrophobicContact CG2-CD2 4.12Å; I319-L372 HydrophobicContact CG2-CD1 4.49Å; I321-L372 HydrophobicContact CD1-CD1 4.27Å; P368-L372 WeakPolarHBondContact O-CG 3.07Å; A369-L372 WeakPolarHBondContact O-CB 3.32Å; A369-L372 PolarHBondContact O-N 3.19Å; A369-L372 VanDerWaalsContact O-N 3.15Å; L370-L372 PolarHBondContact O-N 2.87Å
373	L	98.6	Very high	98.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-13.7	-171.6	-54.1	-176.7	0	0	0	113.3	C302 L304 H306 I308 V334 A351 V353 A369 L370 E371 I376	C302-L373 HydrophobicContact CB-CD1 4.11Å; L304-L373 HydrophobicContact CD1-CB 4.46Å; L304-L373 HydrophobicContact CD1-CD2 4.34Å; L304-L373 HydrophobicContact CD2-CB 4.16Å; H306-L373 PolarHBondContact CE1-O 2.87Å; I308-L373 HydrophobicContact CD1-CD2 3.42Å; I308-L373 VanDerWaalsContact CD1-CD2 3.42Å; I308-L373 HydrophobicContact CG1-CD2 3.66Å; I308-L373 HydrophobicContact CG2-CD2 4.35Å; V334-L373 HydrophobicContact CG1-CD1 4.47Å; V334-L373 HydrophobicContact CG1-CD2 4.26Å; A351-L373 HydrophobicContact CB-CD1 3.81Å; A351-L373 HydrophobicContact CB-CD2 3.9Å; A351-L373 HydrophobicContact CB-CG 4.47Å; V353-L373 HydrophobicContact CG2-CD1 3.69Å; A369-L373 WeakPolarHBondContact O-CG 3.29Å; L370-L373 WeakPolarHBondContact O-CB 3.45Å; L370-L373 PolarHBondContact O-N 2.83Å; E371-L373 PolarHBondContact O-N 3.29Å; L373-I376 HydrophobicContact CB-CD1 4.14Å; L373-I376 HydrophobicContact CB-CG1 4.02Å
374	E	98.1	Very high	98.1	Very high	139 Å²	139	49.7 Å²	49.7	65%	0.65	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-62.5	143.6	-176.4	-65.3	-167.9	153.4	0	0	113.1	L370	L370-E374 PolarHBondContact O-N 2.9Å
375	P	98.5	Very high	98.1	Very high	92 Å²	92	50 Å²	50	60%	0.597	26%	0.261	S	S	*	.	S	Bend	cis	-77.1	136.7	-4.8	30.7	-37	0	0	0	114.8	H306	H306-P375 WeakPolarHBondContact NE2-CD 3.46Å; H306-P375 PolarHBondContact NE2-O 3.42Å
376	I	98.7	Very high	98.1	Very high	45 Å²	45	50.4 Å²	50.4	23%	0.231	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-96.2	128.5	178.1	-58.9	165.8	0	0	0	110.2	C302 L304 L370 L373 Q378 K379	C302-I376 HydrophobicContact CB-CD1 4.43Å; C302-I376 HydrophobicContact CB-CG1 4.45Å; C302-I376 HydrophobicContact CB-CG2 3.85Å; L304-I376 HydrophobicContact CD2-CB 4.25Å; L304-I376 HydrophobicContact CD2-CG1 3.86Å; L304-I376 HydrophobicContact CD2-CG2 4.26Å; L370-I376 HydrophobicContact CD2-CD1 4.06Å; L373-I376 HydrophobicContact CB-CD1 4.14Å; L373-I376 HydrophobicContact CB-CG1 4.02Å; I376-Q378 VanDerWaalsContact CG2-O 3.31Å; I376-Q378 WeakPolarHBondContact CG2-O 3.39Å; I376-K379 HydrophobicContact CD1-CD 4.21Å; I376-K379 HydrophobicContact CD1-CG 4.38Å; I376-K379 HydrophobicContact CG2-CG 3.73Å
377	D	98.3	Very high	98.1	Very high	66 Å²	66	53.5 Å²	53.5	35%	0.353	28%	0.275	S	S	.	.	S	Bend	trans	-72	-43	178.5	-66.3	-15.1	0	0	0	111.6	M66 I303 S305 K348	M66-D377 HydrophobicContact CE-CB 3.85Å; I303-D377 HydrophobicContact CB-CB 4.45Å; I303-D377 HydrophobicContact CG2-CB 4.18Å; I303-D377 WeakPolarHBondContact O-CB 3.5Å; I303-D377 PolarHBondContact O-N 2.85Å; S305-D377 PolarHBondContact N-OD2 2.89Å; S305-D377 PolarHBondContact OG-OD1 2.87Å; S305-D377 PolarHBondContact OG-OD2 3.48Å; K348-D377 IonicContact NZ-OD2 2.87Å; K348-D377 PolarHBondContact NZ-OD2 2.86Å
378	Q	98.4	Very high	98	Very high	53 Å²	53	51 Å²	51	25%	0.248	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	145.8	178.4	-179.6	59.4	-52.4	0	0	111.9	L58 M66 C302 I303 I376 F380	L58-Q378 HydrophobicContact CD1-CG 4.43Å; L58-Q378 VanDerWaalsContact CD1-NE2 3.26Å; M66-Q378 HydrophobicContact CE-CB 3.88Å; C302-Q378 WeakPolarHBondContact CA-O 3.35Å; I303-Q378 HydrophobicContact CB-CB 4.49Å; I303-Q378 PolarHBondContact N-O 3.45Å; I376-Q378 VanDerWaalsContact CG2-O 3.31Å; I376-Q378 WeakPolarHBondContact CG2-O 3.39Å; Q378-F380 HydrophobicContact CB-CE2 4.25Å; Q378-F380 HydrophobicContact CB-CZ 4.46Å; Q378-F380 HydrophobicContact CG-CD2 4.31Å; Q378-F380 HydrophobicContact CG-CE1 4.19Å; Q378-F380 HydrophobicContact CG-CE2 3.61Å; Q378-F380 HydrophobicContact CG-CZ 3.54Å
379	K	98	Very high	97.9	Very high	79 Å²	79	50.9 Å²	50.9	34%	0.343	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143	173.6	-65.8	-170.3	-65.9	168.3	0	111.7	V300 I301 I376	V300-K379 HydrophobicContact CG1-CB 4.2Å; V300-K379 HydrophobicContact CG1-CD 4.23Å; V300-K379 HydrophobicContact CG1-CG 4.33Å; I301-K379 CarbonylContact O-C 3.51Å; I301-K379 VanDerWaalsContact O-CA 3.31Å; I301-K379 WeakPolarHBondContact O-CA 3.49Å; I376-K379 HydrophobicContact CD1-CD 4.21Å; I376-K379 HydrophobicContact CD1-CG 4.38Å; I376-K379 HydrophobicContact CG2-CG 3.73Å
380	F	98.3	Very high	97.9	Very high	2 Å²	2	55 Å²	55	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	113.1	170.3	-47.8	-100.5	0	0	0	108	L52 Y53 F56 L58 V300 I301 I303 Q378	L52-F380 HydrophobicContact CD2-CD1 4.09Å; L52-F380 HydrophobicContact CD2-CD2 4.05Å; L52-F380 HydrophobicContact CD2-CE1 3.79Å; L52-F380 HydrophobicContact CD2-CE2 3.79Å; L52-F380 HydrophobicContact CD2-CG 4.21Å; L52-F380 HydrophobicContact CD2-CZ 3.65Å; L52-F380 HydrophobicContact CG-CD1 3.98Å; L52-F380 HydrophobicContact CG-CE1 3.86Å; L52-F380 HydrophobicContact CG-CG 4.43Å; L52-F380 HydrophobicContact CG-CZ 4.24Å; Y53-F380 AromaticContact CD2-CE1 3.72Å; Y53-F380 HydrophobicContact CD2-CE1 3.72Å; Y53-F380 AromaticContact CD2-CZ 3.83Å; Y53-F380 HydrophobicContact CD2-CZ 3.83Å; Y53-F380 AromaticContact CE2-CE1 3.89Å; Y53-F380 HydrophobicContact CE2-CE1 3.89Å; Y53-F380 AromaticContact CE2-CZ 3.54Å; Y53-F380 HydrophobicContact CE2-CZ 3.54Å; Y53-F380 HydrophobicContact CG-CE1 4.22Å; F56-F380 HydrophobicContact CB-CB 4.49Å; F56-F380 HydrophobicContact CB-CD1 3.93Å; F56-F380 HydrophobicContact CD1-CB 3.67Å; F56-F380 HydrophobicContact CD2-CB 3.93Å; F56-F380 AromaticContact CD2-CD1 3.89Å; F56-F380 HydrophobicContact CD2-CD1 3.89Å; F56-F380 HydrophobicContact CD2-CG 4.3Å; F56-F380 HydrophobicContact CE1-CB 3.69Å; F56-F380 HydrophobicContact CE2-CB 3.98Å; F56-F380 HydrophobicContact CG-CB 3.77Å; F56-F380 AromaticContact CG-CD1 3.91Å; F56-F380 HydrophobicContact CG-CD1 3.91Å; F56-F380 HydrophobicContact CG-CG 4.33Å; F56-F380 HydrophobicContact CZ-CB 3.85Å; L58-F380 HydrophobicContact CD1-CD1 3.71Å; L58-F380 HydrophobicContact CD1-CE1 3.4Å; L58-F380 HydrophobicContact CD1-CZ 4.29Å; V300-F380 WeakPolarHBondContact CA-O 3.19Å; I301-F380 HydrophobicContact CB-CB 4.15Å; I301-F380 HydrophobicContact CB-CD2 4.08Å; I301-F380 HydrophobicContact CG2-CD2 4.07Å; I301-F380 PolarHBondContact N-O 3.41Å; I301-F380 PolarHBondContact O-N 3.38Å; I303-F380 HydrophobicContact CD1-CE2 3.64Å; I303-F380 HydrophobicContact CD1-CZ 3.99Å; I303-F380 HydrophobicContact CG1-CE2 3.99Å; Q378-F380 HydrophobicContact CB-CE2 4.25Å; Q378-F380 HydrophobicContact CB-CZ 4.46Å; Q378-F380 HydrophobicContact CG-CD2 4.31Å; Q378-F380 HydrophobicContact CG-CE1 4.19Å; Q378-F380 HydrophobicContact CG-CE2 3.61Å; Q378-F380 HydrophobicContact CG-CZ 3.54Å
381	V	97.9	Very high	97.7	Very high	51 Å²	51	55.7 Å²	55.7	31%	0.309	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.4	-173	-176.8	0	0	0	0	109.6	F56 I298 V300 E363	F56-V381 WeakPolarHBondContact CD1-O 3.29Å; F56-V381 WeakPolarHBondContact CE1-O 3.25Å; I298-V381 HydrophobicContact CD1-CG1 4.3Å; V300-V381 HydrophobicContact CG1-CG2 4.13Å; V300-V381 HydrophobicContact CG2-CB 4.27Å; V300-V381 HydrophobicContact CG2-CG1 3.99Å; V300-V381 HydrophobicContact CG2-CG2 3.93Å; E363-V381 HydrophobicContact CG-CG1 3.99Å
382	S	97.6	Very high	97.6	Very high	31 Å²	31	53.9 Å²	53.9	22%	0.217	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.2	172.1	60.1	0	0	0	0	111.8	I298 R299	I298-S382 WeakPolarHBondContact CA-O 3.45Å; R299-S382 PolarHBondContact N-O 2.74Å; R299-S382 PolarHBondContact O-N 3.16Å; R299-S382 PolarHBondContact O-OG 3.36Å
383	L	97.8	Very high	97.5	Very high	89 Å²	89	52.5 Å²	52.5	47%	0.466	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.8	168.6	-69.5	169.6	0	0	0	108	V297 I298 V357 P362	V297-L383 WeakPolarHBondContact O-CA 3.21Å; I298-L383 HydrophobicContact CB-CD2 3.71Å; I298-L383 HydrophobicContact CG1-CD2 4.08Å; V357-L383 HydrophobicContact CG2-CD2 3.94Å; P362-L383 HydrophobicContact CB-CD2 3.76Å; P362-L383 HydrophobicContact CG-CD1 4.28Å; P362-L383 HydrophobicContact CG-CD2 3.97Å
384	S	97.2	Very high	97.4	Very high	22 Å²	22	55.8 Å²	55.8	15%	0.154	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.4	-179	-57.4	0	0	0	0	109.9	Q296 V297	Q296-S384 CarbonylContact C-O 3.46Å; Q296-S384 WeakPolarHBondContact CA-O 3.48Å; Q296-S384 WeakPolarHBondContact CG-O 3.3Å; V297-S384 PolarHBondContact N-O 3.43Å; V297-S384 PolarHBondContact O-N 2.96Å
385	D	97.6	Very high	97.3	Very high	54 Å²	54	56.6 Å²	56.6	29%	0.289	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	132.7	170.8	-76.2	-6	0	0	0	109.9	K293 Q296 Y387	K293-D385 HydrophobicContact CD-CB 4.41Å; K293-D385 VanDerWaalsContact CE-OD1 3.25Å; K293-D385 WeakPolarHBondContact CE-OD1 3.4Å; K293-D385 WeakPolarHBondContact CE-OD2 3.49Å; K293-D385 IonicContact NZ-OD1 2.78Å; K293-D385 PolarHBondContact NZ-OD1 2.99Å; K293-D385 IonicContact NZ-OD2 3.05Å; K293-D385 PolarHBondContact NZ-OD2 2.78Å; Q296-D385 PolarHBondContact NE2-OD1 2.77Å; D385-Y387 HydrophobicContact CB-CD2 4.31Å; D385-Y387 HydrophobicContact CB-CE2 3.56Å
386	L	97.1	Very high	97.3	Very high	23 Å²	23	52.5 Å²	52.5	12%	0.12	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126	174.2	-61.4	-174.2	0	0	0	109.2	K293 A294 G295 V297 A403 Y404	K293-L386 CarbonylContact C-O 3.58Å; K293-L386 WeakPolarHBondContact CA-O 3.35Å; A294-L386 PolarHBondContact N-O 2.86Å; G295-L386 PolarHBondContact O-N 3.19Å; V297-L386 HydrophobicContact CB-CD2 4.49Å; V297-L386 HydrophobicContact CG2-CD1 3.6Å; V297-L386 HydrophobicContact CG2-CD2 3.82Å; V297-L386 HydrophobicContact CG2-CG 3.8Å; L386-A403 HydrophobicContact CB-CB 4.29Å; L386-A403 HydrophobicContact CD2-CB 3.88Å; L386-Y404 VanDerWaalsContact CD2-O 3.3Å; L386-Y404 WeakPolarHBondContact CD2-O 3.32Å
387	Y	97.4	Very high	97.3	Very high	65 Å²	65	52.5 Å²	52.5	26%	0.255	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.3	175.4	-68.7	-82.2	0	0	0	110.6	P284 V291 R292 K293 D385 A403	P284-Y387 HydrophobicContact CB-CG 4.43Å; V291-Y387 HydrophobicContact CB-CD1 4.31Å; V291-Y387 HydrophobicContact CG2-CD1 3.78Å; V291-Y387 HydrophobicContact CG2-CG 4.25Å; R292-Y387 WeakPolarHBondContact O-CA 3.41Å; K293-Y387 HydrophobicContact CB-CD1 4.39Å; K293-Y387 HydrophobicContact CB-CE1 4.05Å; D385-Y387 HydrophobicContact CB-CD2 4.31Å; D385-Y387 HydrophobicContact CB-CE2 3.56Å; Y387-A403 PolarHBondContact O-N 2.75Å
388	E	96.6	Very high	97.3	Very high	60 Å²	60	49.6 Å²	49.6	28%	0.28	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.8	171.3	67.9	-174.5	-173.6	0	0	110.1	V291 R292 A294	V291-E388 WeakPolarHBondContact CA-O 3.39Å; R292-E388 HydrophobicContact CG-CG 3.83Å; R292-E388 IonicContact CZ-OE1 3.46Å; R292-E388 PolarHBondContact N-O 2.87Å; R292-E388 IonicContact NE-OE1 3.9Å; R292-E388 PolarHBondContact NE-OE1 3.39Å; R292-E388 IonicContact NH2-OE1 2.73Å; R292-E388 PolarHBondContact NH2-OE1 3.29Å; R292-E388 PolarHBondContact O-N 2.95Å; A294-E388 HydrophobicContact CB-CB 4.42Å; A294-E388 HydrophobicContact CB-CG 3.99Å
389	P	97	Very high	97.3	Very high	30 Å²	30	47 Å²	47	20%	0.195	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	140.9	177.5	23.6	-32	0	0	0	111.7	A400	P389-A400 HydrophobicContact CB-CB 3.96Å; P389-A400 HydrophobicContact CG-CB 4.48Å
390	T	97	Very high	97.3	Very high	86 Å²	86	43.4 Å²	43.4	53%	0.528	23%	0.232	S	C	.	.	S	Bend	trans	-97.1	-10.6	169.4	58.2	0	0	0	0	112.8	R290 R292	R290-T390 PolarHBondContact O-N 3.11Å; R290-T390 PolarHBondContact O-OG1 2.89Å; R292-T390 HydrophobicContact CB-CG2 3.7Å; R292-T390 HydrophobicContact CG-CG2 3.71Å
391	D	94.8	Very high	97.3	Very high	34 Å²	34	43.5 Å²	43.5	18%	0.182	23%	0.233	C	C	.	.			trans	-116.4	126.8	178.9	178.5	5.7	0	0	0	108.3	R290 G393 S396	R290-D391 IonicContact CZ-OD2 3.73Å; R290-D391 IonicContact NH1-OD2 3.84Å; R290-D391 PolarHBondContact NH1-OD2 2.9Å; D391-G393 PolarHBondContact O-N 3.36Å; D391-G393 PolarHBondContact OD1-N 2.83Å; D391-S396 WeakPolarHBondContact OD2-CB 3.34Å; D391-S396 PolarHBondContact OD2-OG 3.15Å
392	D	95.4	Very high	97.3	Very high	82 Å²	82	42.9 Å²	42.9	44%	0.439	23%	0.231	S	C	.	.			trans	-77.1	-9.1	178.4	76.3	6.5	0	0	0	112.6	T394 R423	D392-T394 VanDerWaalsContact C-N 3.27Å; D392-T394 PolarHBondContact O-N 3.11Å; D392-T394 WeakPolarHBondContact OD1-CB 3.27Å; D392-T394 WeakPolarHBondContact OD1-CG2 3.28Å; D392-T394 PolarHBondContact OD1-N 3.4Å; D392-T394 PolarHBondContact OD1-OG1 3.43Å; D392-T394 PolarHBondContact OD2-OG1 3.17Å; D392-R423 VanDerWaalsContact O-CD 3.28Å; D392-R423 WeakPolarHBondContact O-CD 3.48Å; D392-R423 PolarHBondContact O-NH1 3.18Å
393	G	97.4	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	81.2	-1.7	175.6	0	0	0	0	0	114.6	D391 E395 Q397 I398 F399	D391-G393 PolarHBondContact O-N 3.36Å; D391-G393 PolarHBondContact OD1-N 2.83Å; G393-E395 PolarHBondContact O-N 3.14Å; G393-Q397 WeakPolarHBondContact O-CA 3.22Å; G393-Q397 PolarHBondContact O-N 2.85Å; G393-I398 WeakPolarHBondContact CA-O 3.44Å; G393-F399 WeakPolarHBondContact O-CE1 3.35Å; G393-F399 VanDerWaalsContact O-CZ 3.27Å; G393-F399 WeakPolarHBondContact O-CZ 3.25Å
394	T	96.5	Very high	97.2	Very high	69 Å²	69	39.6 Å²	39.6	42%	0.423	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-34.3	-177.7	58.8	0	0	0	0	112.4	D392 Q397	D392-T394 VanDerWaalsContact C-N 3.27Å; D392-T394 PolarHBondContact O-N 3.11Å; D392-T394 WeakPolarHBondContact OD1-CB 3.27Å; D392-T394 WeakPolarHBondContact OD1-CG2 3.28Å; D392-T394 PolarHBondContact OD1-N 3.4Å; D392-T394 PolarHBondContact OD1-OG1 3.43Å; D392-T394 PolarHBondContact OD2-OG1 3.17Å; T394-Q397 PolarHBondContact O-NE2 3.11Å
395	E	96.3	Very high	97.2	Very high	156 Å²	156	39.3 Å²	39.3	73%	0.729	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-55.7	170.5	-64.4	-175	175.6	0	0	110.5	H264 G393 Q397	H264-E395 PolarHBondContact CD2-O 3.25Å; H264-E395 PolarHBondContact NE2-O 3.03Å; H264-E395 VanDerWaalsContact NE2-O 3.16Å; G393-E395 PolarHBondContact O-N 3.14Å; E395-Q397 PolarHBondContact O-N 2.93Å; E395-Q397 VanDerWaalsContact O-N 3.15Å
396	S	97.8	Very high	97.1	Very high	5 Å²	5	37 Å²	37	4%	0.035	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.2	-173.1	65.7	0	0	0	0	115.1	G263 H264 V265 D391 I398	G263-S396 WeakPolarHBondContact O-CA 3.49Å; H264-S396 WeakPolarHBondContact CA-O 3.37Å; V265-S396 PolarHBondContact N-O 2.73Å; D391-S396 WeakPolarHBondContact OD2-CB 3.34Å; D391-S396 PolarHBondContact OD2-OG 3.15Å; S396-I398 PolarHBondContact O-N 2.97Å; S396-I398 PolarHBondContact OG-N 3.38Å
397	Q	98.5	Very high	97	Very high	46 Å²	46	36 Å²	36	22%	0.215	19%	0.194	C	C	.	.			trans	58.4	22.7	-168.7	-60.5	-62.3	-60	0	0	113.5	V265 L280 G393 T394 E395 F399	V265-Q397 HydrophobicContact CG1-CB 3.86Å; V265-Q397 VanDerWaalsContact CG1-O 3.3Å; V265-Q397 WeakPolarHBondContact CG1-O 3.38Å; L280-Q397 PolarHBondContact N-O 3Å; G393-Q397 WeakPolarHBondContact O-CA 3.22Å; G393-Q397 PolarHBondContact O-N 2.85Å; T394-Q397 PolarHBondContact O-NE2 3.11Å; E395-Q397 PolarHBondContact O-N 2.93Å; E395-Q397 VanDerWaalsContact O-N 3.15Å; Q397-F399 HydrophobicContact CB-CE2 4.43Å
398	I	98.6	Very high	96.8	Very high	4 Å²	4	33 Å²	33	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.5	171.6	-57.2	177.6	0	0	0	108.9	I258 M260 V265 L280 I287 G393 S396	I258-I398 HydrophobicContact CG2-CD1 4.12Å; M260-I398 HydrophobicContact CE-CD1 3.86Å; M260-I398 HydrophobicContact SD-CD1 3.73Å; V265-I398 HydrophobicContact CB-CD1 4.4Å; V265-I398 HydrophobicContact CB-CG1 3.9Å; V265-I398 HydrophobicContact CG1-CG1 4.13Å; L280-I398 HydrophobicContact CB-CG1 4.39Å; L280-I398 HydrophobicContact CD2-CG1 4.25Å; L280-I398 HydrophobicContact CD2-CG2 4.25Å; I287-I398 HydrophobicContact CD1-CG2 4.4Å; I287-I398 HydrophobicContact CG2-CG2 4.21Å; G393-I398 WeakPolarHBondContact CA-O 3.44Å; S396-I398 PolarHBondContact O-N 2.97Å; S396-I398 PolarHBondContact OG-N 3.38Å
399	F	98.6	Very high	96.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	98.4	-176.9	-56.4	-85.2	0	0	0	109.9	Q279 L280 I281 C282 G393 Q397 I420 R423 M424	Q279-F399 HydrophobicContact CB-CD2 4.48Å; Q279-F399 HydrophobicContact CB-CE2 4.12Å; Q279-F399 HydrophobicContact CG-CE2 4.13Å; L280-F399 PolarHBondContact O-N 3.22Å; I281-F399 WeakPolarHBondContact CA-O 3.49Å; C282-F399 PolarHBondContact N-O 3.39Å; G393-F399 WeakPolarHBondContact O-CE1 3.35Å; G393-F399 VanDerWaalsContact O-CZ 3.27Å; G393-F399 WeakPolarHBondContact O-CZ 3.25Å; Q397-F399 HydrophobicContact CB-CE2 4.43Å; F399-I420 HydrophobicContact CB-CG2 3.97Å; F399-R423 HydrophobicContact CD1-CB 3.87Å; F399-R423 VanDerWaalsContact CE1-C 3.49Å; F399-R423 HydrophobicContact CE1-CB 3.84Å; F399-R423 WeakPolarHBondContact CE1-O 3.49Å; F399-M424 HydrophobicContact CB-CG 3.99Å; F399-M424 HydrophobicContact CB-SD 4.37Å; F399-M424 HydrophobicContact CD1-CG 3.63Å; F399-M424 HydrophobicContact CD2-CE 4.23Å; F399-M424 HydrophobicContact CD2-CG 3.46Å; F399-M424 VanDerWaalsContact CD2-CG 3.46Å; F399-M424 HydrophobicContact CD2-SD 4.23Å; F399-M424 HydrophobicContact CE1-CB 4.46Å; F399-M424 HydrophobicContact CE1-CG 3.92Å; F399-M424 HydrophobicContact CE2-CB 4.48Å; F399-M424 HydrophobicContact CE2-CG 3.76Å; F399-M424 HydrophobicContact CG-CG 3.38Å; F399-M424 HydrophobicContact CG-SD 4.27Å; F399-M424 HydrophobicContact CZ-CB 4.41Å; F399-M424 HydrophobicContact CZ-CG 3.98Å
400	A	98.1	Very high	96.5	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.017	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	146.9	178.2	0	0	0	0	0	112.8	C282 I287 P389 R423	C282-A400 VanDerWaalsContact O-CA 3.22Å; C282-A400 WeakPolarHBondContact O-CA 3.07Å; I287-A400 HydrophobicContact CD1-CB 3.22Å; I287-A400 HydrophobicContact CG1-CB 4.34Å; P389-A400 HydrophobicContact CB-CB 3.96Å; P389-A400 HydrophobicContact CG-CB 4.48Å; A400-R423 PolarHBondContact O-NH2 2.63Å
401	S	98.1	Very high	96.1	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.028	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-83.6	162.6	166.8	62.6	0	0	0	0	113	E16 C282 P284 D416	E16-S401 WeakPolarHBondContact OE1-CB 3.27Å; E16-S401 PolarHBondContact OE1-OG 2.9Å; C282-S401 PolarHBondContact O-N 3.07Å; P284-S401 WeakPolarHBondContact CD-O 3.44Å; P284-S401 VanDerWaalsContact CG-O 3.3Å; P284-S401 WeakPolarHBondContact CG-O 3.5Å; S401-D416 WeakPolarHBondContact CA-OD2 3.31Å; S401-D416 WeakPolarHBondContact CB-OD2 3.46Å
402	S	97.5	Very high	96	Very high	38 Å²	38	26.6 Å²	26.6	27%	0.266	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-88.9	147.8	170.9	-54.9	0	0	0	0	110.5	D416	S402-D416 PolarHBondContact N-OD1 3.31Å; S402-D416 PolarHBondContact N-OD2 3.22Å; S402-D416 PolarHBondContact OG-OD1 3.03Å
403	A	96.7	Very high	96	Very high	30 Å²	30	23.1 Å²	23.1	25%	0.248	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-61.4	146	173.7	0	0	0	0	0	112	L386 Y387 D405	L386-A403 HydrophobicContact CB-CB 4.29Å; L386-A403 HydrophobicContact CD2-CB 3.88Å; Y387-A403 PolarHBondContact O-N 2.75Å; A403-D405 PolarHBondContact O-N 3.16Å
404	Y	97.2	Very high	95.8	Very high	21 Å²	21	23.1 Å²	23.1	8%	0.082	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-65.4	119.3	178.6	-59.8	-77.2	0	0	0	111.7	L14 T15 S43 I77 R299 L386 T413	L14-Y404 PolarHBondContact N-OH 3.13Å; T15-Y404 PolarHBondContact N-OH 3.39Å; T15-Y404 VanDerWaalsContact N-OH 3.09Å; S43-Y404 WeakPolarHBondContact OG-CE2 3.13Å; I77-Y404 HydrophobicContact CD1-CD2 4.01Å; I77-Y404 HydrophobicContact CD1-CG 4.35Å; I77-Y404 HydrophobicContact CG2-CG 4.49Å; R299-Y404 PolarHBondContact NH2-O 2.98Å; L386-Y404 VanDerWaalsContact CD2-O 3.3Å; L386-Y404 WeakPolarHBondContact CD2-O 3.32Å; Y404-T413 HydrophobicContact CD1-CG2 4.34Å; Y404-T413 HydrophobicContact CE1-CG2 3.84Å
405	D	96.3	Very high	95.6	Very high	17 Å²	17	23.1 Å²	23.1	9%	0.091	12%	0.124	C	C	.	.			trans	-69.7	177.8	178.3	71.6	15.3	0	0	0	113.7	K79 R193 R299 A403 T407 T412	K79-D405 PolarHBondContact NZ-O 3.24Å; K79-D405 IonicContact NZ-OD1 3.41Å; K79-D405 PolarHBondContact NZ-OD1 2.99Å; R193-D405 IonicContact CZ-OD2 3.01Å; R193-D405 IonicContact NH1-OD2 3.24Å; R193-D405 PolarHBondContact NH1-OD2 3.3Å; R299-D405 PolarHBondContact NH2-O 2.78Å; A403-D405 PolarHBondContact O-N 3.16Å; D405-T407 PolarHBondContact O-N 3.37Å; D405-T407 WeakPolarHBondContact OD1-CB 3Å; D405-T407 PolarHBondContact OD1-N 3.03Å; D405-T407 PolarHBondContact OD1-OG1 2.8Å; D405-T412 PolarHBondContact OD1-OG1 3.2Å; D405-T412 VanDerWaalsContact OD2-CB 3.32Å; D405-T412 WeakPolarHBondContact OD2-CB 3.4Å; D405-T412 WeakPolarHBondContact OD2-CG2 2.85Å; D405-T412 PolarHBondContact OD2-OG1 3.39Å
406	A	96.3	Very high	95.7	Very high	4 Å²	4	16.6 Å²	16.6	3%	0.033	9%	0.094	C	C	.	.	S	Bend	trans	-70.4	-11.8	-178.2	0	0	0	0	0	114.8	V297 Y333 S354	V297-A406 HydrophobicContact CG1-CB 3.84Å; V297-A406 HydrophobicContact CG2-CB 3.92Å; Y333-A406 VanDerWaalsContact CD2-O 3.24Å; Y333-A406 WeakPolarHBondContact CD2-O 3.44Å; S354-A406 PolarHBondContact OG-O 2.9Å
407	T	95.2	Very high	95.6	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.018	9%	0.093	C	C	.	.			trans	-65.4	149.7	-176.8	66.8	0	0	0	0	110.9	K79 R193 Y333 D405 H409	K79-T407 PolarHBondContact NZ-O 2.97Å; K79-T407 PolarHBondContact NZ-OG1 3.1Å; R193-T407 HydrophobicContact CG-CG2 3.7Å; Y333-T407 HydrophobicContact CE2-CG2 4.19Å; D405-T407 PolarHBondContact O-N 3.37Å; D405-T407 WeakPolarHBondContact OD1-CB 3Å; D405-T407 PolarHBondContact OD1-N 3.03Å; D405-T407 PolarHBondContact OD1-OG1 2.8Å; T407-H409 VanDerWaalsContact C-N 3.32Å; T407-H409 PolarHBondContact OG1-O 2.91Å
408	T	92.3	Very high	95.4	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	10%	0.095	C	C	.	.	S	Bend	trans	-99.4	27.6	178.2	46.4	0	0	0	0	111.9	K79 F80 Q318 Y333 C335	K79-T408 CarbonylContact C-O 3.54Å; K79-T408 WeakPolarHBondContact CA-O 3.44Å; F80-T408 PolarHBondContact N-O 3.17Å; Q318-T408 VanDerWaalsContact OE1-CB 3.3Å; Q318-T408 PolarHBondContact OE1-OG1 2.88Å; Y333-T408 HydrophobicContact CG-CG2 4.41Å; C335-T408 HydrophobicContact CB-CG2 3.88Å
409	H	93.4	Very high	95.4	Very high	5 Å²	5	20.4 Å²	20.4	2%	0.023	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-144.1	163.1	174.4	57.2	62.6	0	0	0	111.1	F80 T407	F80-H409 VanDerWaalsContact O-CA 3.26Å; F80-H409 WeakPolarHBondContact O-CA 3.35Å; T407-H409 VanDerWaalsContact C-N 3.32Å; T407-H409 PolarHBondContact OG1-O 2.91Å
410	F	93.8	Very high	95.3	Very high	9 Å²	9	20.4 Å²	20.4	4%	0.039	11%	0.113	C	C	.	.	S	Bend	trans	-90	4.4	-170.9	-76.4	-69.3	0	0	0	117.1	L14 K79 F80 L81 L87 L231 T412 T413 C414	L14-F410 HydrophobicContact CD2-CD1 3.79Å; L14-F410 HydrophobicContact CD2-CE1 3.13Å; L14-F410 HydrophobicContact CD2-CE2 4.3Å; L14-F410 HydrophobicContact CD2-CZ 3.41Å; L14-F410 VanDerWaalsContact CD2-CZ 3.41Å; K79-F410 HydrophobicContact CB-CD1 3.93Å; K79-F410 HydrophobicContact CB-CD2 3.74Å; K79-F410 HydrophobicContact CB-CE1 3.65Å; K79-F410 HydrophobicContact CB-CE2 3.51Å; K79-F410 HydrophobicContact CB-CG 3.98Å; K79-F410 HydrophobicContact CB-CZ 3.47Å; K79-F410 VanDerWaalsContact CB-CZ 3.47Å; K79-F410 HydrophobicContact CD-CD1 3.65Å; K79-F410 HydrophobicContact CD-CE1 3.61Å; K79-F410 HydrophobicContact CD-CG 4.34Å; K79-F410 HydrophobicContact CD-CZ 4.32Å; K79-F410 HydrophobicContact CG-CD1 4.43Å; K79-F410 HydrophobicContact CG-CE1 4.2Å; K79-F410 HydrophobicContact CG-CZ 4.43Å; K79-F410 WeakPolarHBondContact O-CE2 3.47Å; F80-F410 WeakPolarHBondContact O-CD2 3.41Å; F80-F410 PolarHBondContact O-N 2.95Å; L81-F410 HydrophobicContact CD1-CD2 4.21Å; L81-F410 HydrophobicContact CD1-CE2 3.96Å; L81-F410 HydrophobicContact CG-CD2 3.89Å; L81-F410 HydrophobicContact CG-CE2 4.12Å; L87-F410 HydrophobicContact CB-CB 4.44Å; L87-F410 HydrophobicContact CD2-CB 3.49Å; L87-F410 VanDerWaalsContact CD2-CB 3.49Å; L87-F410 HydrophobicContact CD2-CD1 4.05Å; L87-F410 HydrophobicContact CD2-CD2 3.38Å; L87-F410 HydrophobicContact CD2-CE2 4.01Å; L87-F410 HydrophobicContact CD2-CG 3.37Å; L231-F410 HydrophobicContact CD1-CE2 4.27Å; L231-F410 HydrophobicContact CD1-CZ 3.71Å; L231-F410 HydrophobicContact CD2-CE2 3.73Å; L231-F410 HydrophobicContact CD2-CZ 3.76Å; L231-F410 HydrophobicContact CG-CZ 4.38Å; F410-T412 PolarHBondContact O-N 2.99Å; F410-T413 HydrophobicContact CD1-CG2 4.17Å; F410-T413 WeakPolarHBondContact O-CB 3.29Å; F410-T413 PolarHBondContact O-N 3.26Å; F410-C414 PolarHBondContact O-N 3.02Å; F410-C414 PolarHBondContact O-SG 3.13Å
411	E	89.6	Confident	95.3	Very high	31 Å²	31	21.1 Å²	21.1	15%	0.145	12%	0.115	C	C	.	.	H	α-helix	trans	-58.2	-43.5	-173.6	-170.5	61.5	-161.8	0	0	113.5	C414 N415	E411-C414 WeakPolarHBondContact O-CB 3.36Å; E411-C414 PolarHBondContact O-N 3.11Å; E411-N415 PolarHBondContact O-N 2.88Å; E411-N415 VanDerWaalsContact O-N 3.1Å; E411-N415 PolarHBondContact O-ND2 3.15Å
412	T	92.3	Very high	95.2	Very high	32 Å²	32	25.5 Å²	25.5	20%	0.196	13%	0.134	C	C	.	.	H	α-helix	trans	-69.1	-37.6	178.3	51.8	0	0	0	0	112.1	D405 F410 C414 N415 D416	D405-T412 PolarHBondContact OD1-OG1 3.2Å; D405-T412 VanDerWaalsContact OD2-CB 3.32Å; D405-T412 WeakPolarHBondContact OD2-CB 3.4Å; D405-T412 WeakPolarHBondContact OD2-CG2 2.85Å; D405-T412 PolarHBondContact OD2-OG1 3.39Å; F410-T412 PolarHBondContact O-N 2.99Å; T412-C414 VanDerWaalsContact C-N 3.33Å; T412-C414 PolarHBondContact O-N 3.2Å; T412-N415 WeakPolarHBondContact O-CB 3.41Å; T412-N415 PolarHBondContact O-N 3.46Å; T412-D416 PolarHBondContact O-N 3.1Å; T412-D416 VanDerWaalsContact O-N 3.13Å
413	T	95.3	Very high	95.2	Very high	8 Å²	8	25.6 Å²	25.6	5%	0.049	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-38.6	171	-55.5	0	0	0	0	112.1	Y404 F410 N415 D416 I417	Y404-T413 HydrophobicContact CD1-CG2 4.34Å; Y404-T413 HydrophobicContact CE1-CG2 3.84Å; F410-T413 HydrophobicContact CD1-CG2 4.17Å; F410-T413 WeakPolarHBondContact O-CB 3.29Å; F410-T413 PolarHBondContact O-N 3.26Å; T413-N415 VanDerWaalsContact C-N 3.33Å; T413-N415 PolarHBondContact O-N 3.36Å; T413-D416 PolarHBondContact O-N 2.75Å; T413-I417 HydrophobicContact CG2-CD1 4.11Å; T413-I417 WeakPolarHBondContact O-CD1 3.5Å; T413-I417 WeakPolarHBondContact O-CG1 3.45Å; T413-I417 PolarHBondContact O-N 3.47Å
414	C	93.4	Very high	95.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-65.1	-38.5	176	-67.4	0	0	0	0	112.4	Q86 L87 F410 E411 T412 D416 I417 K418	Q86-C414 HydrophobicContact CB-CB 4.18Å; L87-C414 WeakPolarHBondContact CB-SG 3.32Å; L87-C414 PolarHBondContact N-SG 3.36Å; L87-C414 VanDerWaalsContact N-SG 3.42Å; F410-C414 PolarHBondContact O-N 3.02Å; F410-C414 PolarHBondContact O-SG 3.13Å; E411-C414 WeakPolarHBondContact O-CB 3.36Å; E411-C414 PolarHBondContact O-N 3.11Å; T412-C414 VanDerWaalsContact C-N 3.33Å; T412-C414 PolarHBondContact O-N 3.2Å; C414-D416 VanDerWaalsContact C-N 3.33Å; C414-I417 PolarHBondContact O-N 3.08Å; C414-K418 WeakPolarHBondContact O-CG 3.44Å; C414-K418 PolarHBondContact O-N 3.18Å
415	N	93.4	Very high	95.1	Very high	68 Å²	68	26.4 Å²	26.4	36%	0.364	13%	0.132	S	C	.	.	H	α-helix	trans	-62.6	-43.1	176	-68.3	-26.3	0	0	0	110.8	E411 T412 T413 K418 D419	E411-N415 PolarHBondContact O-N 2.88Å; E411-N415 VanDerWaalsContact O-N 3.1Å; E411-N415 PolarHBondContact O-ND2 3.15Å; T412-N415 WeakPolarHBondContact O-CB 3.41Å; T412-N415 PolarHBondContact O-N 3.46Å; T413-N415 VanDerWaalsContact C-N 3.33Å; T413-N415 PolarHBondContact O-N 3.36Å; N415-K418 PolarHBondContact O-N 3.02Å; N415-D419 WeakPolarHBondContact O-CB 3.39Å; N415-D419 PolarHBondContact O-N 2.8Å
416	D	97.1	Very high	95	Very high	19 Å²	19	29 Å²	29	10%	0.102	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-46.1	175.9	-163.4	53.9	0	0	0	111.7	S401 S402 T412 T413 C414 K418 D419 I420	S401-D416 WeakPolarHBondContact CA-OD2 3.31Å; S401-D416 WeakPolarHBondContact CB-OD2 3.46Å; S402-D416 PolarHBondContact N-OD1 3.31Å; S402-D416 PolarHBondContact N-OD2 3.22Å; S402-D416 PolarHBondContact OG-OD1 3.03Å; T412-D416 PolarHBondContact O-N 3.1Å; T412-D416 VanDerWaalsContact O-N 3.13Å; T413-D416 PolarHBondContact O-N 2.75Å; C414-D416 VanDerWaalsContact C-N 3.33Å; D416-K418 PolarHBondContact O-N 2.82Å; D416-D419 PolarHBondContact O-N 2.9Å; D416-I420 WeakPolarHBondContact O-CD1 3.45Å; D416-I420 VanDerWaalsContact O-CG1 3.26Å; D416-I420 WeakPolarHBondContact O-CG1 3.38Å; D416-I420 PolarHBondContact O-N 3.08Å
417	I	96.3	Very high	94.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.6	-46.1	175.9	-68.6	160	0	0	0	111.7	T15 I18 L19 I22 M90 T413 C414 Y421	T15-I417 HydrophobicContact CG2-CG1 3.85Å; I18-I417 HydrophobicContact CB-CD1 4.21Å; I18-I417 HydrophobicContact CD1-CD1 3.49Å; I18-I417 VanDerWaalsContact CD1-CD1 3.49Å; I18-I417 HydrophobicContact CG1-CD1 4.46Å; I18-I417 HydrophobicContact CG2-CD1 4.14Å; I18-I417 HydrophobicContact CG2-CG2 3.98Å; L19-I417 HydrophobicContact CD2-CG2 4.08Å; L19-I417 HydrophobicContact CG-CG2 4.3Å; I22-I417 HydrophobicContact CD1-CG2 4.44Å; M90-I417 HydrophobicContact CE-CG2 4.04Å; M90-I417 HydrophobicContact SD-CG2 3.88Å; T413-I417 HydrophobicContact CG2-CD1 4.11Å; T413-I417 WeakPolarHBondContact O-CD1 3.5Å; T413-I417 WeakPolarHBondContact O-CG1 3.45Å; T413-I417 PolarHBondContact O-N 3.47Å; C414-I417 PolarHBondContact O-N 3.08Å; I417-Y421 WeakPolarHBondContact O-CB 3.48Å; I417-Y421 PolarHBondContact O-N 3.07Å
418	K	95.1	Very high	94.5	Very high	62 Å²	62	36.5 Å²	36.5	27%	0.27	21%	0.207	S	C	.	.	H	α-helix	trans	-67.4	-39.9	-179.9	-74.1	167.4	63.4	-164.3	0	112	M90 C414 N415 D416 Y421 K422 F429	M90-K418 HydrophobicContact CE-CD 3.94Å; M90-K418 HydrophobicContact CE-CG 3.52Å; C414-K418 WeakPolarHBondContact O-CG 3.44Å; C414-K418 PolarHBondContact O-N 3.18Å; N415-K418 PolarHBondContact O-N 3.02Å; D416-K418 PolarHBondContact O-N 2.82Å; K418-Y421 PolarHBondContact O-N 3.47Å; K418-K422 WeakPolarHBondContact O-CB 3.36Å; K418-K422 PolarHBondContact O-N 2.63Å; K418-F429 HydrophobicContact CG-CB 4.08Å
419	D	97	Very high	94.1	Very high	73 Å²	73	37.2 Å²	37.2	39%	0.39	21%	0.21	S	C	.	.	H	α-helix	trans	-63	-49.9	176.9	177.9	72.8	0	0	0	111	N415 D416 Y421 K422 R423	N415-D419 WeakPolarHBondContact O-CB 3.39Å; N415-D419 PolarHBondContact O-N 2.8Å; D416-D419 PolarHBondContact O-N 2.9Å; D419-Y421 PolarHBondContact O-N 3.45Å; D419-K422 WeakPolarHBondContact O-CB 3.29Å; D419-K422 PolarHBondContact O-N 3.31Å; D419-K422 VanDerWaalsContact O-N 3.14Å; D419-R423 WeakPolarHBondContact O-CG 3.31Å; D419-R423 PolarHBondContact O-N 3.07Å; D419-R423 IonicContact OD2-CZ 2.74Å; D419-R423 VanDerWaalsContact OD2-CZ 3.3Å; D419-R423 IonicContact OD2-NE 3.58Å; D419-R423 PolarHBondContact OD2-NE 3.15Å; D419-R423 IonicContact OD2-NH2 2.99Å; D419-R423 PolarHBondContact OD2-NH2 2.95Å
420	I	97.9	Very high	93.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-49.3	175	-66	159.8	0	0	0	110.5	T15 L19 F399 D416 K422 R423 M424	T15-I420 HydrophobicContact CG2-CD1 3.77Å; L19-I420 HydrophobicContact CD1-CB 3.94Å; L19-I420 HydrophobicContact CD1-CD1 3.8Å; L19-I420 HydrophobicContact CD1-CG1 4.48Å; L19-I420 HydrophobicContact CD1-CG2 3.47Å; L19-I420 VanDerWaalsContact CD1-CG2 3.47Å; L19-I420 HydrophobicContact CD2-CB 4.4Å; L19-I420 HydrophobicContact CD2-CG2 4.09Å; L19-I420 HydrophobicContact CG-CG2 4.44Å; F399-I420 HydrophobicContact CB-CG2 3.97Å; D416-I420 WeakPolarHBondContact O-CD1 3.45Å; D416-I420 VanDerWaalsContact O-CG1 3.26Å; D416-I420 WeakPolarHBondContact O-CG1 3.38Å; D416-I420 PolarHBondContact O-N 3.08Å; I420-K422 VanDerWaalsContact C-N 3.27Å; I420-K422 PolarHBondContact O-N 2.81Å; I420-R423 PolarHBondContact O-N 2.98Å; I420-M424 HydrophobicContact CG2-CG 4.18Å; I420-M424 HydrophobicContact CG2-SD 3.9Å; I420-M424 WeakPolarHBondContact O-CB 3.21Å; I420-M424 VanDerWaalsContact O-CG 3.26Å; I420-M424 WeakPolarHBondContact O-CG 3.49Å; I420-M424 PolarHBondContact O-N 3.49Å
421	Y	96.6	Very high	92.4	Very high	17 Å²	17	41.6 Å²	41.6	7%	0.067	23%	0.232	C	C	.	.	H	α-helix	trans	-57.1	-42.1	178.1	-179.3	-87.3	0	0	0	112.1	I22 M23 I417 K418 D419 M424 T425 F429 M434	I22-Y421 HydrophobicContact CG2-CD2 3.84Å; I22-Y421 HydrophobicContact CG2-CE2 3.6Å; M23-Y421 HydrophobicContact CE-CD2 3.76Å; M23-Y421 HydrophobicContact CE-CE2 4.02Å; I417-Y421 WeakPolarHBondContact O-CB 3.48Å; I417-Y421 PolarHBondContact O-N 3.07Å; K418-Y421 PolarHBondContact O-N 3.47Å; D419-Y421 PolarHBondContact O-N 3.45Å; Y421-M424 PolarHBondContact O-N 2.9Å; Y421-T425 HydrophobicContact CD1-CG2 4.41Å; Y421-T425 HydrophobicContact CD2-CG2 4.23Å; Y421-T425 HydrophobicContact CE1-CG2 4.02Å; Y421-T425 WeakPolarHBondContact CE1-OG1 3.34Å; Y421-T425 HydrophobicContact CE2-CG2 3.83Å; Y421-T425 HydrophobicContact CG-CG2 4.49Å; Y421-T425 WeakPolarHBondContact O-CB 3.47Å; Y421-T425 WeakPolarHBondContact O-CG2 3.31Å; Y421-T425 PolarHBondContact O-N 3.39Å; Y421-T425 PolarHBondContact O-OG1 3.2Å; Y421-F429 HydrophobicContact CD1-CB 3.96Å; Y421-F429 AromaticContact CD1-CD2 3.69Å; Y421-F429 HydrophobicContact CD1-CD2 3.69Å; Y421-F429 HydrophobicContact CD1-CG 4.33Å; Y421-F429 AromaticContact CD2-CD2 3.89Å; Y421-F429 HydrophobicContact CD2-CD2 3.89Å; Y421-F429 HydrophobicContact CD2-CE2 4.24Å; Y421-F429 HydrophobicContact CE1-CB 4.42Å; Y421-F429 AromaticContact CE1-CD2 3.99Å; Y421-F429 HydrophobicContact CE1-CD2 3.99Å; Y421-F429 HydrophobicContact CE2-CD2 4.16Å; Y421-F429 HydrophobicContact CE2-CE2 4.34Å; Y421-F429 AromaticContact CG-CD2 3.66Å; Y421-F429 HydrophobicContact CG-CD2 3.66Å; Y421-F429 HydrophobicContact CG-CE2 4.45Å; Y421-M434 HydrophobicContact CE1-CE 3.84Å; Y421-M434 HydrophobicContact CE2-CE 3.96Å; Y421-M434 WeakPolarHBondContact OH-CE 3.11Å
422	K	96.7	Very high	91.2	Very high	96 Å²	96	45.5 Å²	45.5	42%	0.417	25%	0.25	S	C	.	.	H	α-helix	trans	-64.8	-45.9	177.5	-178.5	178.9	-174.4	152.1	0	111.8	K418 D419 I420 M424 T425 G426 S427 D428	K418-K422 WeakPolarHBondContact O-CB 3.36Å; K418-K422 PolarHBondContact O-N 2.63Å; D419-K422 WeakPolarHBondContact O-CB 3.29Å; D419-K422 PolarHBondContact O-N 3.31Å; D419-K422 VanDerWaalsContact O-N 3.14Å; I420-K422 VanDerWaalsContact C-N 3.27Å; I420-K422 PolarHBondContact O-N 2.81Å; K422-M424 VanDerWaalsContact C-N 3.31Å; K422-M424 PolarHBondContact O-N 3.19Å; K422-T425 PolarHBondContact O-N 2.74Å; K422-G426 VanDerWaalsContact O-CA 3.27Å; K422-G426 WeakPolarHBondContact O-CA 3.49Å; K422-G426 PolarHBondContact O-N 3.49Å; K422-S427 WeakPolarHBondContact CA-O 3.12Å; K422-D428 VanDerWaalsContact CD-OD1 3.3Å; K422-D428 WeakPolarHBondContact CD-OD1 3.36Å; K422-D428 VanDerWaalsContact CE-OD1 3.26Å; K422-D428 WeakPolarHBondContact CE-OD1 3.27Å; K422-D428 IonicContact NZ-OD1 3.98Å; K422-D428 PolarHBondContact NZ-OD1 2.85Å; K422-D428 IonicContact NZ-OD2 2.82Å
423	R	97.4	Very high	89.8	Confident	40 Å²	40	47.9 Å²	47.9	15%	0.151	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-40.1	176.8	-69.9	-176.1	-69.9	132.7	-15.4	111.7	D392 F399 A400 D419 I420	D392-R423 VanDerWaalsContact O-CD 3.28Å; D392-R423 WeakPolarHBondContact O-CD 3.48Å; D392-R423 PolarHBondContact O-NH1 3.18Å; F399-R423 HydrophobicContact CD1-CB 3.87Å; F399-R423 VanDerWaalsContact CE1-C 3.49Å; F399-R423 HydrophobicContact CE1-CB 3.84Å; F399-R423 WeakPolarHBondContact CE1-O 3.49Å; A400-R423 PolarHBondContact O-NH2 2.63Å; D419-R423 WeakPolarHBondContact O-CG 3.31Å; D419-R423 PolarHBondContact O-N 3.07Å; D419-R423 IonicContact OD2-CZ 2.74Å; D419-R423 VanDerWaalsContact OD2-CZ 3.3Å; D419-R423 IonicContact OD2-NE 3.58Å; D419-R423 PolarHBondContact OD2-NE 3.15Å; D419-R423 IonicContact OD2-NH2 2.99Å; D419-R423 PolarHBondContact OD2-NH2 2.95Å; I420-R423 PolarHBondContact O-N 2.98Å
424	M	96.9	Very high	88.2	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.059	26%	0.262	C	S	.	.	H	α-helix	trans	-68.8	-40.8	178.7	-74.1	-172.6	76.7	0	0	114.1	V7 M23 Q279 I281 F399 I420 Y421 K422	V7-M424 HydrophobicContact CG1-CE 4.14Å; V7-M424 HydrophobicContact CG2-CE 4.37Å; M23-M424 HydrophobicContact CE-CB 4.33Å; M23-M424 HydrophobicContact CE-CE 3.89Å; M23-M424 HydrophobicContact CE-SD 3.71Å; M23-M424 HydrophobicContact SD-CE 4.49Å; Q279-M424 HydrophobicContact CB-CE 4.16Å; Q279-M424 PolarHBondContact NE2-O 2.91Å; Q279-M424 VanDerWaalsContact NE2-O 3.09Å; I281-M424 HydrophobicContact CD1-CE 3.64Å; I281-M424 HydrophobicContact CD1-SD 3.42Å; I281-M424 WeakPolarHBondContact CD1-SD 3.45Å; I281-M424 HydrophobicContact CG1-CE 3.65Å; I281-M424 HydrophobicContact CG1-SD 3.6Å; F399-M424 HydrophobicContact CB-CG 3.99Å; F399-M424 HydrophobicContact CB-SD 4.37Å; F399-M424 HydrophobicContact CD1-CG 3.63Å; F399-M424 HydrophobicContact CD2-CE 4.23Å; F399-M424 HydrophobicContact CD2-CG 3.46Å; F399-M424 VanDerWaalsContact CD2-CG 3.46Å; F399-M424 HydrophobicContact CD2-SD 4.23Å; F399-M424 HydrophobicContact CE1-CB 4.46Å; F399-M424 HydrophobicContact CE1-CG 3.92Å; F399-M424 HydrophobicContact CE2-CB 4.48Å; F399-M424 HydrophobicContact CE2-CG 3.76Å; F399-M424 HydrophobicContact CG-CG 3.38Å; F399-M424 HydrophobicContact CG-SD 4.27Å; F399-M424 HydrophobicContact CZ-CB 4.41Å; F399-M424 HydrophobicContact CZ-CG 3.98Å; I420-M424 HydrophobicContact CG2-CG 4.18Å; I420-M424 HydrophobicContact CG2-SD 3.9Å; I420-M424 WeakPolarHBondContact O-CB 3.21Å; I420-M424 VanDerWaalsContact O-CG 3.26Å; I420-M424 WeakPolarHBondContact O-CG 3.49Å; I420-M424 PolarHBondContact O-N 3.49Å; Y421-M424 PolarHBondContact O-N 2.9Å; K422-M424 VanDerWaalsContact C-N 3.31Å; K422-M424 PolarHBondContact O-N 3.19Å
425	T	94.7	Very high	86.6	Confident	56 Å²	56	53.7 Å²	53.7	34%	0.344	29%	0.286	S	S	.	.	H	α-helix	trans	-106	-14.2	-168.7	66.8	0	0	0	0	114	M23 Y421 K422 S427	M23-T425 HydrophobicContact CE-CG2 4.22Å; Y421-T425 HydrophobicContact CD1-CG2 4.41Å; Y421-T425 HydrophobicContact CD2-CG2 4.23Å; Y421-T425 HydrophobicContact CE1-CG2 4.02Å; Y421-T425 WeakPolarHBondContact CE1-OG1 3.34Å; Y421-T425 HydrophobicContact CE2-CG2 3.83Å; Y421-T425 HydrophobicContact CG-CG2 4.49Å; Y421-T425 WeakPolarHBondContact O-CB 3.47Å; Y421-T425 WeakPolarHBondContact O-CG2 3.31Å; Y421-T425 PolarHBondContact O-N 3.39Å; Y421-T425 PolarHBondContact O-OG1 3.2Å; K422-T425 PolarHBondContact O-N 2.74Å; T425-S427 PolarHBondContact O-N 2.79Å; T425-S427 PolarHBondContact OG1-N 2.97Å; T425-S427 PolarHBondContact OG1-O 3.07Å; T425-S427 PolarHBondContact OG1-OG 2.96Å
426	G	94.4	Very high	84.8	Confident	72 Å²	72	58.1 Å²	58.1	74%	0.742	30%	0.298	S	S	*	.	S	Bend	trans	71.2	9.8	-171.6	0	0	0	0	0	114.2	K422	K422-G426 VanDerWaalsContact O-CA 3.27Å; K422-G426 WeakPolarHBondContact O-CA 3.49Å; K422-G426 PolarHBondContact O-N 3.49Å
427	S	91	Very high	82.8	Confident	55 Å²	55	64 Å²	64	39%	0.385	32%	0.323	S	S	.	.	S	Bend	trans	-134.5	145.3	-175.1	64.2	0	0	0	0	112.4	K422 T425	K422-S427 WeakPolarHBondContact CA-O 3.12Å; T425-S427 PolarHBondContact O-N 2.79Å; T425-S427 PolarHBondContact OG1-N 2.97Å; T425-S427 PolarHBondContact OG1-O 3.07Å; T425-S427 PolarHBondContact OG1-OG 2.96Å
428	D	89.6	Confident	80.8	Confident	109 Å²	109	65.3 Å²	65.3	58%	0.583	33%	0.329	S	S	*	.			trans	-63.1	147.1	175.5	-69.5	-44.1	0	0	0	111	K422 D430	K422-D428 VanDerWaalsContact CD-OD1 3.3Å; K422-D428 WeakPolarHBondContact CD-OD1 3.36Å; K422-D428 VanDerWaalsContact CE-OD1 3.26Å; K422-D428 WeakPolarHBondContact CE-OD1 3.27Å; K422-D428 IonicContact NZ-OD1 3.98Å; K422-D428 PolarHBondContact NZ-OD1 2.85Å; K422-D428 IonicContact NZ-OD2 2.82Å; D428-D430 PolarHBondContact O-N 3.28Å
429	F	83.8	Confident	78.7	Confident	16 Å²	16	66.3 Å²	66.3	7%	0.07	34%	0.337	C	S	.	.			trans	-69.9	102.5	174.4	-166.5	-83.2	0	0	0	110.1	I22 M90 Y93 K418 Y421 F431 M434	I22-F429 HydrophobicContact CD1-CE2 3.64Å; I22-F429 HydrophobicContact CD1-CZ 4.08Å; I22-F429 HydrophobicContact CG1-CE2 4.16Å; I22-F429 HydrophobicContact CG1-CZ 4.46Å; I22-F429 HydrophobicContact CG2-CE2 3.98Å; M90-F429 HydrophobicContact CG-CE1 4.18Å; M90-F429 HydrophobicContact CG-CZ 4.31Å; Y93-F429 HydrophobicContact CD1-CZ 4.23Å; K418-F429 HydrophobicContact CG-CB 4.08Å; Y421-F429 HydrophobicContact CD1-CB 3.96Å; Y421-F429 AromaticContact CD1-CD2 3.69Å; Y421-F429 HydrophobicContact CD1-CD2 3.69Å; Y421-F429 HydrophobicContact CD1-CG 4.33Å; Y421-F429 AromaticContact CD2-CD2 3.89Å; Y421-F429 HydrophobicContact CD2-CD2 3.89Å; Y421-F429 HydrophobicContact CD2-CE2 4.24Å; Y421-F429 HydrophobicContact CE1-CB 4.42Å; Y421-F429 AromaticContact CE1-CD2 3.99Å; Y421-F429 HydrophobicContact CE1-CD2 3.99Å; Y421-F429 HydrophobicContact CE2-CD2 4.16Å; Y421-F429 HydrophobicContact CE2-CE2 4.34Å; Y421-F429 AromaticContact CG-CD2 3.66Å; Y421-F429 HydrophobicContact CG-CD2 3.66Å; Y421-F429 HydrophobicContact CG-CE2 4.45Å; F429-F431 HydrophobicContact CD1-CD1 4.29Å; F429-F431 HydrophobicContact CD1-CD2 4.13Å; F429-F431 HydrophobicContact CD1-CE1 4.01Å; F429-F431 AromaticContact CD1-CE2 3.84Å; F429-F431 HydrophobicContact CD1-CE2 3.84Å; F429-F431 HydrophobicContact CD1-CG 4.34Å; F429-F431 AromaticContact CD1-CZ 3.78Å; F429-F431 HydrophobicContact CD1-CZ 3.78Å; F429-F431 AromaticContact CE1-CD1 3.64Å; F429-F431 HydrophobicContact CE1-CD1 3.64Å; F429-F431 HydrophobicContact CE1-CD2 4.29Å; F429-F431 AromaticContact CE1-CE1 3.39Å; F429-F431 HydrophobicContact CE1-CE1 3.39Å; F429-F431 HydrophobicContact CE1-CE2 4.08Å; F429-F431 HydrophobicContact CE1-CG 4.08Å; F429-F431 AromaticContact CE1-CZ 3.63Å; F429-F431 HydrophobicContact CE1-CZ 3.63Å; F429-F431 HydrophobicContact CZ-CE1 4.39Å; F429-M434 HydrophobicContact CD2-CE 3.8Å; F429-M434 HydrophobicContact CD2-SD 4.34Å; F429-M434 HydrophobicContact CE1-SD 4.06Å; F429-M434 HydrophobicContact CE2-CE 3.67Å; F429-M434 HydrophobicContact CE2-SD 3.74Å; F429-M434 HydrophobicContact CG-CE 4.37Å; F429-M434 HydrophobicContact CZ-CE 4.14Å; F429-M434 HydrophobicContact CZ-SD 3.59Å; F429-M434 VanDerWaalsContact CZ-SD 3.59Å
430	D	79.3	Confident	76.2	Confident	63 Å²	63	69.2 Å²	69.2	34%	0.337	35%	0.353	S	S	.	.			trans	-107.7	103.9	-177.2	-174.6	-13.3	0	0	0	112.1	D428 E432 N433 M434	D428-D430 PolarHBondContact O-N 3.28Å; D430-E432 VanDerWaalsContact C-N 3.29Å; D430-E432 PolarHBondContact O-N 3.33Å; D430-E432 PolarHBondContact OD1-N 3.24Å; D430-N433 HydrophobicContact CB-CB 4.15Å; D430-N433 PolarHBondContact OD1-N 3.2Å; D430-N433 WeakPolarHBondContact OD2-CB 3.3Å; D430-N433 VanDerWaalsContact OD2-CG 3.29Å; D430-N433 PolarHBondContact OD2-ND2 3.31Å; D430-M434 VanDerWaalsContact O-CB 3.3Å; D430-M434 WeakPolarHBondContact O-CB 3.4Å; D430-M434 WeakPolarHBondContact O-CG 3.49Å; D430-M434 PolarHBondContact O-N 3.04Å; D430-M434 VanDerWaalsContact O-N 3.13Å
431	F	71.8	Confident	73.8	Confident	43 Å²	43	74.7 Å²	74.7	19%	0.189	39%	0.386	C	S	.	.	H	α-helix	trans	-59.6	-33.1	178.5	-66.5	-83.1	0	0	0	113.9	K89 M90 F429 K435	K89-F431 HydrophobicContact CB-CD1 3.78Å; K89-F431 HydrophobicContact CB-CE1 3.43Å; K89-F431 VanDerWaalsContact CB-CE1 3.43Å; K89-F431 HydrophobicContact CB-CZ 3.9Å; M90-F431 HydrophobicContact CB-CE1 4.35Å; M90-F431 HydrophobicContact CE-CZ 4.18Å; M90-F431 HydrophobicContact CG-CE1 3.61Å; M90-F431 HydrophobicContact CG-CZ 3.74Å; F429-F431 HydrophobicContact CD1-CD1 4.29Å; F429-F431 HydrophobicContact CD1-CD2 4.13Å; F429-F431 HydrophobicContact CD1-CE1 4.01Å; F429-F431 AromaticContact CD1-CE2 3.84Å; F429-F431 HydrophobicContact CD1-CE2 3.84Å; F429-F431 HydrophobicContact CD1-CG 4.34Å; F429-F431 AromaticContact CD1-CZ 3.78Å; F429-F431 HydrophobicContact CD1-CZ 3.78Å; F429-F431 AromaticContact CE1-CD1 3.64Å; F429-F431 HydrophobicContact CE1-CD1 3.64Å; F429-F431 HydrophobicContact CE1-CD2 4.29Å; F429-F431 AromaticContact CE1-CE1 3.39Å; F429-F431 HydrophobicContact CE1-CE1 3.39Å; F429-F431 HydrophobicContact CE1-CE2 4.08Å; F429-F431 HydrophobicContact CE1-CG 4.08Å; F429-F431 AromaticContact CE1-CZ 3.63Å; F429-F431 HydrophobicContact CE1-CZ 3.63Å; F429-F431 HydrophobicContact CZ-CE1 4.39Å; F431-K435 WeakPolarHBondContact O-CG 3.35Å; F431-K435 PolarHBondContact O-N 3.32Å
432	E	65.9	Low	71.5	Confident	113 Å²	113	80 Å²	80	53%	0.528	41%	0.409	S	S	.	.	H	α-helix	trans	-79.4	-45.7	-175.4	-75.1	-66.8	139.1	0	0	111.2	D430 M434 K435 R436	D430-E432 VanDerWaalsContact C-N 3.29Å; D430-E432 PolarHBondContact O-N 3.33Å; D430-E432 PolarHBondContact OD1-N 3.24Å; E432-M434 PolarHBondContact O-N 2.98Å; E432-K435 PolarHBondContact O-N 3.04Å; E432-R436 PolarHBondContact O-N 2.91Å
433	N	61.3	Low	68.7	Low	83 Å²	83	77.8 Å²	77.8	44%	0.444	41%	0.414	S	S	.	.	H	α-helix	trans	-65.1	-32.1	176	-85.9	-33.8	0	0	0	112.3	D430 K437	D430-N433 HydrophobicContact CB-CB 4.15Å; D430-N433 PolarHBondContact OD1-N 3.2Å; D430-N433 WeakPolarHBondContact OD2-CB 3.3Å; D430-N433 VanDerWaalsContact OD2-CG 3.29Å; D430-N433 PolarHBondContact OD2-ND2 3.31Å; N433-K437 PolarHBondContact O-N 3.44Å
434	M	62	Low	66	Low	13 Å²	13	83.2 Å²	83.2	6%	0.064	44%	0.441	C	S	.	.	H	α-helix	trans	-71.8	-39.9	178	-77.7	-173.5	-175.2	0	0	113.2	Y93 Y421 F429 D430 E432 R436 K437 Q438	Y93-M434 HydrophobicContact CD1-SD 4.28Å; Y93-M434 HydrophobicContact CD2-CB 4.05Å; Y93-M434 HydrophobicContact CE1-CB 4.36Å; Y93-M434 HydrophobicContact CE1-SD 3.65Å; Y93-M434 HydrophobicContact CE2-CB 3.43Å; Y93-M434 VanDerWaalsContact CE2-CB 3.43Å; Y93-M434 HydrophobicContact CE2-CG 4.35Å; Y93-M434 HydrophobicContact CE2-SD 4.41Å; Y421-M434 HydrophobicContact CE1-CE 3.84Å; Y421-M434 HydrophobicContact CE2-CE 3.96Å; Y421-M434 WeakPolarHBondContact OH-CE 3.11Å; F429-M434 HydrophobicContact CD2-CE 3.8Å; F429-M434 HydrophobicContact CD2-SD 4.34Å; F429-M434 HydrophobicContact CE1-SD 4.06Å; F429-M434 HydrophobicContact CE2-CE 3.67Å; F429-M434 HydrophobicContact CE2-SD 3.74Å; F429-M434 HydrophobicContact CG-CE 4.37Å; F429-M434 HydrophobicContact CZ-CE 4.14Å; F429-M434 HydrophobicContact CZ-SD 3.59Å; F429-M434 VanDerWaalsContact CZ-SD 3.59Å; D430-M434 VanDerWaalsContact O-CB 3.3Å; D430-M434 WeakPolarHBondContact O-CB 3.4Å; D430-M434 WeakPolarHBondContact O-CG 3.49Å; D430-M434 PolarHBondContact O-N 3.04Å; D430-M434 VanDerWaalsContact O-N 3.13Å; E432-M434 PolarHBondContact O-N 2.98Å; M434-R436 VanDerWaalsContact C-N 3.3Å; M434-R436 PolarHBondContact O-N 3.14Å; M434-K437 PolarHBondContact O-N 3.48Å; M434-Q438 PolarHBondContact O-N 3.43Å; M434-Q438 VanDerWaalsContact O-N 3.11Å
435	K	60.4	Low	63.3	Low	117 Å²	117	90 Å²	90	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-58	-41.6	172.3	-80.8	179.9	179.4	176.8	0	112.6	F431 E432 Q438 N439	F431-K435 WeakPolarHBondContact O-CG 3.35Å; F431-K435 PolarHBondContact O-N 3.32Å; E432-K435 PolarHBondContact O-N 3.04Å; K435-Q438 PolarHBondContact O-N 3.36Å; K435-N439 PolarHBondContact O-N 2.58Å
436	R	55.8	Low	60.5	Low	161 Å²	161	96.8 Å²	96.8	61%	0.608	51%	0.505	S	S	*	.	H	α-helix	trans	-61.9	-44.6	177.6	-69.6	179.3	-178.2	180	0.5	111.9	E432 M434 Q438 N439 D440	E432-R436 PolarHBondContact O-N 2.91Å; M434-R436 VanDerWaalsContact C-N 3.3Å; M434-R436 PolarHBondContact O-N 3.14Å; R436-Q438 VanDerWaalsContact C-N 3.32Å; R436-Q438 PolarHBondContact O-N 2.86Å; R436-N439 PolarHBondContact O-N 3.44Å; R436-D440 PolarHBondContact O-N 2.87Å; R436-D440 VanDerWaalsContact O-N 3.13Å
437	K	55.6	Low	57.6	Low	144 Å²	144	105.8 Å²	105.8	63%	0.626	53%	0.528	S	S	*	.	H	α-helix	trans	-64	-34.5	177.8	-74.5	-177.4	178.6	-179.5	0	113.1	N433 M434 D440 V441	N433-K437 PolarHBondContact O-N 3.44Å; M434-K437 PolarHBondContact O-N 3.48Å; K437-D440 PolarHBondContact O-N 3.31Å; K437-V441 VanDerWaalsContact O-CG2 3.22Å; K437-V441 WeakPolarHBondContact O-CG2 3.25Å; K437-V441 PolarHBondContact O-N 3.09Å
438	Q	53.9	Low	55.9	Low	27 Å²	27	108.4 Å²	108.4	13%	0.126	54%	0.535	C	S	.	.	H	α-helix	trans	-65.4	-44	177.3	-159.6	174.1	19.9	0	0	111.1	M434 K435 R436 D440 V441 F442	M434-Q438 PolarHBondContact O-N 3.43Å; M434-Q438 VanDerWaalsContact O-N 3.11Å; K435-Q438 PolarHBondContact O-N 3.36Å; R436-Q438 VanDerWaalsContact C-N 3.32Å; R436-Q438 PolarHBondContact O-N 2.86Å; Q438-D440 VanDerWaalsContact C-N 3.29Å; Q438-D440 PolarHBondContact O-N 2.73Å; Q438-V441 PolarHBondContact O-N 3.07Å; Q438-F442 HydrophobicContact CG-CD2 3.83Å; Q438-F442 HydrophobicContact CG-CE2 3.96Å; Q438-F442 WeakPolarHBondContact O-CD2 2.92Å; Q438-F442 PolarHBondContact O-N 2.9Å; Q438-F442 VanDerWaalsContact O-N 3.07Å
439	N	50.9	Low	54.2	Low	82 Å²	82	108.3 Å²	108.3	44%	0.439	53%	0.533	S	S	.	.	H	α-helix	trans	-63.1	-35.8	175.7	-69.5	12	0	0	0	112.3	K435 R436 G443	K435-N439 PolarHBondContact O-N 2.58Å; R436-N439 PolarHBondContact O-N 3.44Å; N439-G443 PolarHBondContact O-N 3.18Å
440	D	44.2	Very low	52.5	Low	135 Å²	135	113.4 Å²	113.4	72%	0.722	56%	0.559	S	S	*	*	H	α-helix	trans	-71.9	-30.9	177.5	-70	-22.4	0	0	0	113.3	R436 K437 Q438	R436-D440 PolarHBondContact O-N 2.87Å; R436-D440 VanDerWaalsContact O-N 3.13Å; K437-D440 PolarHBondContact O-N 3.31Å; Q438-D440 VanDerWaalsContact C-N 3.29Å; Q438-D440 PolarHBondContact O-N 2.73Å
441	V	47.1	Very low	50.9	Low	114 Å²	114	116.4 Å²	116.4	69%	0.691	57%	0.572	S	S	*	*	H	α-helix	trans	-82.9	-32.8	-178.9	171.9	0	0	0	0	112.2	K437 Q438	K437-V441 VanDerWaalsContact O-CG2 3.22Å; K437-V441 WeakPolarHBondContact O-CG2 3.25Å; K437-V441 PolarHBondContact O-N 3.09Å; Q438-V441 PolarHBondContact O-N 3.07Å
442	F	48.3	Very low	49.6	Very low	129 Å²	129	121 Å²	121	57%	0.566	60%	0.596	S	S	*	*	H	α-helix	trans	-95.4	-4.8	-178.3	-72.5	-72.5	0	0	0	114.8	Y245 Q438	Y245-F442 AromaticContact CE1-CZ 3.94Å; Y245-F442 HydrophobicContact CE1-CZ 3.94Å; Y245-F442 WeakPolarHBondContact OH-CZ 3.49Å; Q438-F442 HydrophobicContact CG-CD2 3.83Å; Q438-F442 HydrophobicContact CG-CE2 3.96Å; Q438-F442 WeakPolarHBondContact O-CD2 2.92Å; Q438-F442 PolarHBondContact O-N 2.9Å; Q438-F442 VanDerWaalsContact O-N 3.07Å
443	G	39.4	Very low	48.5	Very low	50 Å²	50	121.5 Å²	121.5	52%	0.515	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	51.8	80.5	175	0	0	0	0	0	111.9	N439 D445	N439-G443 PolarHBondContact O-N 3.18Å; G443-D445 VanDerWaalsContact C-N 3.25Å; G443-D445 PolarHBondContact O-N 2.88Å
444	E	39.3	Very low	47.6	Very low	153 Å²	153	124.3 Å²	124.3	72%	0.715	61%	0.611	S	S	*	*			trans	-64.5	96.2	159.9	-73.9	-173.3	158.9	0	0	107.5	E446	E444-E446 PolarHBondContact O-N 2.93Å
445	D	40.2	Very low	46.5	Very low	156 Å²	156	132.8 Å²	132.8	83%	0.834	65%	0.653	S	S	*	*			trans	-58.2	107	158.7	-86.2	-30.9	0	0	0	106.5	G443 Q447	G443-D445 VanDerWaalsContact C-N 3.25Å; G443-D445 PolarHBondContact O-N 2.88Å; D445-Q447 PolarHBondContact O-N 3.01Å
446	E	37.1	Very low	45.4	Very low	197 Å²	197	134.2 Å²	134.2	92%	0.921	67%	0.666	S	S	*	*			trans	-51.1	113.1	167.8	-72.3	-177.5	153.7	0	0	109.2	E444	E444-E446 PolarHBondContact O-N 2.93Å
447	Q	32.8	Very low	44.4	Very low	262 Å²	262	131.7 Å²	131.7	100%	1.224	67%	0.671	S	S	*	*			trans	-130.2	0	157.5	-84.9	-171.7	21.1	0	0	111.2	D445	D445-Q447 PolarHBondContact O-N 3.01Å

Retrieved 447 of 447 residues in 735.9 ms (Link to these results)

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