A0A096NII1_PAPAN Loading...

Bardet-Biedl syndrome 2 protein homolog

The BBSome complex is thought to function as a coat complex required for sorting of specific membrane proteins to the primary cilia. The BBSome complex is required for ciliogenesis but is dispensable for centriolar satellite function. This ciliogenic function is mediated in part by the Rab8 GDP/GTP exchange factor, which localizes to the basal body and contacts the BBSome. Rab8(GTP) enters the primary cilium and promotes extension of the ciliary membrane. Firstly the BBSome associates with the ciliary membrane and binds to RAB3IP/Rabin8, the guanosyl exchange factor (GEF) for Rab8 and then the Rab8-GTP localizes to the cilium and promotes docking and fusion of carrier vesicles to the base of the ciliary membrane. The BBSome complex, together with the LTZL1, controls SMO ciliary trafficking and contributes to the sonic hedgehog (SHH) pathway regulation. Required for proper BBSome complex assembly and its ciliary localization.

AlphaFold DB (A0A663D9H0), UniProt , Accession A0A096NII1, Species PAPAN (Papio anubis, Olive baboon), Gene BBS2, Length 721 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	56.9	Low	84.9	Confident	146 Å²	146	79.2 Å²	79.2	72%	0.719	39%	0.392	S	S	*	.				0	136.6	0	-76.5	-179.8	-163.8	0	0	111	D330	M1-D330 WeakPolarHBondContact CG-OD2 3.38Å; M1-D330 PolarHBondContact N-OD2 3.35Å
2	L	72.8	Confident	85.3	Confident	24 Å²	24	75.8 Å²	75.8	13%	0.126	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-61.1	133.5	167.5	-66.6	165.6	0	0	0	109.1	L252 F281 L328	L2-L252 HydrophobicContact CD1-CD1 3.69Å; L2-L252 HydrophobicContact CD1-CD2 3.9Å; L2-L252 HydrophobicContact CD1-CG 3.55Å; L2-F281 HydrophobicContact CB-CD2 4.14Å; L2-F281 HydrophobicContact CB-CE2 3.77Å; L2-F281 HydrophobicContact CD1-CD2 4.21Å; L2-F281 HydrophobicContact CG-CD2 4.47Å; L2-L328 HydrophobicContact CD2-CD2 4.07Å; L2-L328 HydrophobicContact CG-CD2 3.97Å
3	L	83.8	Confident	86	Confident	140 Å²	140	78.5 Å²	78.5	73%	0.733	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-95.5	147.2	175.3	-70.4	170.7	0	0	0	109.5	V5	L3-V5 PolarHBondContact O-N 3.21Å
4	P	87.9	Confident	86.7	Confident	45 Å²	45	73.1 Å²	73.1	29%	0.292	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-62.4	124.4	172.7	27.9	-33.9	0	0	0	109	F6 R315 G316 Y317	P4-F6 VanDerWaalsContact C-N 3.3Å; P4-R315 HydrophobicContact CB-CB 4.05Å; P4-R315 HydrophobicContact CB-CG 4.41Å; P4-G316 CarbonylContact C-O 3.49Å; P4-G316 WeakPolarHBondContact CA-O 3.24Å; P4-Y317 HydrophobicContact CB-CD1 4.4Å; P4-Y317 HydrophobicContact CB-CE1 3.91Å
5	V	89.6	Confident	87.3	Confident	60 Å²	60	70.4 Å²	70.4	36%	0.364	35%	0.348	S	S	.	.	S	Bend	trans	-73.8	-29.7	-179.4	-173.8	0	0	0	0	110.8	L3 G316 L318	L3-V5 PolarHBondContact O-N 3.21Å; V5-G316 PolarHBondContact N-O 3.48Å; V5-L318 HydrophobicContact CG1-CD1 4.34Å; V5-L318 HydrophobicContact CG2-CB 3.92Å; V5-L318 HydrophobicContact CG2-CD1 4.08Å; V5-L318 HydrophobicContact CG2-CG 3.93Å
6	F	89.8	Confident	87.7	Confident	30 Å²	30	68.8 Å²	68.8	13%	0.132	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.1	166.1	67.9	-96.6	0	0	0	110.4	P4 L8 Y297 R298 Q304 I306 I314 R315 G316	P4-F6 VanDerWaalsContact C-N 3.3Å; F6-L8 HydrophobicContact CD2-CD1 3.77Å; F6-L8 HydrophobicContact CD2-CG 4.14Å; F6-L8 HydrophobicContact CE2-CD1 3.88Å; F6-Y297 AromaticContact CE1-CD1 3.95Å; F6-Y297 HydrophobicContact CE1-CD1 3.95Å; F6-Y297 HydrophobicContact CE1-CG 4.46Å; F6-Y297 AromaticContact CE2-CD1 3.92Å; F6-Y297 HydrophobicContact CE2-CD1 3.92Å; F6-Y297 HydrophobicContact CE2-CE1 4.11Å; F6-Y297 AromaticContact CZ-CD1 3.47Å; F6-Y297 HydrophobicContact CZ-CD1 3.47Å; F6-Y297 VanDerWaalsContact CZ-CD1 3.47Å; F6-Y297 HydrophobicContact CZ-CE1 4.1Å; F6-Y297 HydrophobicContact CZ-CG 4.05Å; F6-R298 HydrophobicContact CD1-CG 4.18Å; F6-R298 HydrophobicContact CE1-CG 4.45Å; F6-Q304 VanDerWaalsContact CE1-OE1 3.32Å; F6-I306 HydrophobicContact CZ-CG1 4.04Å; F6-I314 HydrophobicContact CE2-CG2 4.16Å; F6-R315 WeakPolarHBondContact O-CA 3.26Å; F6-G316 PolarHBondContact O-N 2.71Å
7	T	92.1	Very high	88	Confident	78 Å²	78	70.5 Å²	70.5	48%	0.479	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	129.5	173	-58.8	0	0	0	0	108.6	I314 R315	T7-I314 CarbonylContact C-O 3.55Å; T7-I314 WeakPolarHBondContact CA-O 3.34Å; T7-R315 HydrophobicContact CG2-CG 4.01Å
8	L	91.3	Very high	88.4	Confident	58 Å²	58	68.1 Å²	68.1	30%	0.304	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.2	-179.8	-65.2	158.3	0	0	0	108.6	F6 Y297 I314	F6-L8 HydrophobicContact CD2-CD1 3.77Å; F6-L8 HydrophobicContact CD2-CG 4.14Å; F6-L8 HydrophobicContact CE2-CD1 3.88Å; L8-Y297 HydrophobicContact CD1-CE1 3.92Å; L8-I314 HydrophobicContact CB-CB 4.36Å; L8-I314 PolarHBondContact N-O 3.44Å; L8-I314 PolarHBondContact O-N 3.05Å
9	K	92.1	Very high	88.8	Confident	113 Å²	113	65.2 Å²	65.2	49%	0.491	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	107.4	174.7	-175.6	60.6	168	178.4	0	109.2	D311 E313	K9-D311 WeakPolarHBondContact CE-O 3.49Å; K9-D311 PolarHBondContact NZ-O 2.89Å; K9-E313 HydrophobicContact CD-CB 3.92Å; K9-E313 HydrophobicContact CD-CG 4.49Å
10	L	89.9	Confident	89.2	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.031	31%	0.308	C	S	.	.			trans	-82.5	147.5	173.1	-54.9	-174.2	0	0	0	110	H12 F41 H43 V66 G312 I314	L10-H12 PolarHBondContact O-N 3.35Å; L10-F41 HydrophobicContact CD1-CD2 4.11Å; L10-F41 HydrophobicContact CD1-CE2 3.22Å; L10-F41 HydrophobicContact CD1-CZ 3.55Å; L10-H43 VanDerWaalsContact CD2-CD2 3.48Å; L10-H43 WeakPolarHBondContact CD2-CD2 3.38Å; L10-V66 HydrophobicContact CD2-CG2 4.26Å; L10-G312 PolarHBondContact N-O 3.3Å; L10-I314 HydrophobicContact CD1-CD1 3.38Å; L10-I314 HydrophobicContact CD1-CG1 4.49Å; L10-I314 HydrophobicContact CD2-CD1 4.45Å; L10-I314 HydrophobicContact CG-CD1 3.67Å
11	R	87.4	Confident	89.5	Confident	171 Å²	171	60.8 Å²	60.8	65%	0.645	30%	0.3	S	S	*	.	S	Bend	trans	-81.5	1.8	176.8	-64.7	175.8	-171.7	-160.6	-0.3	113.7	E63	R11-E63 WeakPolarHBondContact CD-OE1 3.37Å; R11-E63 WeakPolarHBondContact CG-OE1 3.37Å; R11-E63 IonicContact NE-OE1 2.66Å; R11-E63 PolarHBondContact NE-OE1 2.88Å
12	H	90.6	Very high	91.2	Very high	38 Å²	38	53.9 Å²	53.9	18%	0.176	27%	0.267	C	S	.	.	S	Bend	trans	-103.5	135.9	-178.5	-63.8	-74.8	0	0	0	110.7	L10 F41 G312	L10-H12 PolarHBondContact O-N 3.35Å; H12-F41 HydrophobicContact CB-CD1 3.88Å; H12-F41 HydrophobicContact CB-CE1 3.92Å; H12-G312 WeakPolarHBondContact O-CA 3.42Å
13	K	93.9	Very high	92.2	Very high	112 Å²	112	59.5 Å²	59.5	49%	0.487	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-73.5	134.8	169.7	-67.7	-171.6	173.8	-170.6	0	109.6	T35 V310	K13-T35 WeakPolarHBondContact O-CA 3.31Å; K13-T35 VanDerWaalsContact O-CB 3.25Å; K13-T35 WeakPolarHBondContact O-CB 3.38Å; K13-T35 PolarHBondContact O-OG1 2.84Å; K13-V310 CarbonylContact C-O 3.59Å; K13-V310 VanDerWaalsContact CA-O 3.24Å; K13-V310 WeakPolarHBondContact CA-O 3.41Å
14	I	96.1	Very high	92.6	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.015	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-97.6	127.9	-177.9	-58.9	-178	0	0	0	108.8	V19 A33 F41 A290 C308 V310	I14-V19 HydrophobicContact CG2-CG2 3.49Å; I14-V19 VanDerWaalsContact CG2-CG2 3.49Å; I14-A33 HydrophobicContact CG2-CB 4.03Å; I14-F41 HydrophobicContact CD1-CZ 3.96Å; I14-F41 HydrophobicContact CG1-CE1 3.91Å; I14-F41 HydrophobicContact CG1-CZ 3.8Å; I14-A290 HydrophobicContact CB-CB 3.92Å; I14-A290 HydrophobicContact CG2-CB 3.53Å; I14-C308 HydrophobicContact CD1-CB 3.91Å; I14-V310 PolarHBondContact N-O 3.05Å
15	S	95.3	Very high	92.5	Very high	32 Å²	32	53.1 Å²	53.1	22%	0.224	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-70.7	132.8	171.6	-64	0	0	0	0	110.1	M18 A34	S15-M18 WeakPolarHBondContact CB-SD 3.43Å; S15-M18 PolarHBondContact O-N 3.05Å; S15-A34 PolarHBondContact N-O 2.73Å
16	P	93.9	Very high	92.3	Very high	45 Å²	45	51.4 Å²	51.4	29%	0.292	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	143.7	176.2	-25.7	34.4	0	0	0	112.8	M18 M245 A290 V310	P16-M18 PolarHBondContact O-N 3.29Å; P16-M245 HydrophobicContact CB-CE 3.55Å; P16-M245 HydrophobicContact CG-CE 3.6Å; P16-A290 WeakPolarHBondContact CA-O 3.31Å; P16-V310 HydrophobicContact CG-CG2 4.16Å
17	R	92.7	Very high	92.2	Very high	97 Å²	97	54.3 Å²	54.3	37%	0.366	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	3.2	176.4	-57.5	162.8	179.9	-140.3	-16.9	115.9	T207 S208 A244 M245 A290	R17-T207 VanDerWaalsContact CZ-O 3.27Å; R17-T207 VanDerWaalsContact NH1-CB 3.29Å; R17-T207 PolarHBondContact NH1-O 2.68Å; R17-T207 PolarHBondContact NH2-OG1 3.33Å; R17-S208 PolarHBondContact NH2-OG 3.26Å; R17-A244 PolarHBondContact NH2-O 3.35Å; R17-M245 VanDerWaalsContact CG-O 3.23Å; R17-M245 WeakPolarHBondContact CG-O 3.48Å; R17-M245 PolarHBondContact NE-O 3.39Å; R17-M245 PolarHBondContact NH2-O 3.48Å; R17-A290 PolarHBondContact N-O 3.36Å
18	M	95.3	Very high	92.1	Very high	28 Å²	28	53.3 Å²	53.3	14%	0.138	26%	0.255	C	S	.	.			trans	-113.6	57.2	-178.8	-59	169.5	-156.2	0	0	109.4	S15 P16 A33 A34 V75 S76 L78	S15-M18 WeakPolarHBondContact CB-SD 3.43Å; S15-M18 PolarHBondContact O-N 3.05Å; P16-M18 PolarHBondContact O-N 3.29Å; M18-A33 VanDerWaalsContact O-CA 3.26Å; M18-A33 WeakPolarHBondContact O-CA 3.43Å; M18-A34 HydrophobicContact CB-CB 3.57Å; M18-A34 HydrophobicContact CG-CB 4.25Å; M18-A34 PolarHBondContact O-N 3.03Å; M18-A34 HydrophobicContact SD-CB 3.72Å; M18-V75 WeakPolarHBondContact CE-O 3.35Å; M18-V75 HydrophobicContact CG-CG1 4.5Å; M18-V75 HydrophobicContact SD-CB 4.12Å; M18-V75 HydrophobicContact SD-CG1 3.98Å; M18-S76 WeakPolarHBondContact CE-O 3.43Å; M18-L78 HydrophobicContact CB-CB 4.04Å
19	V	96.7	Very high	92.1	Very high	13 Å²	13	51 Å²	51	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.9	-178.4	-176.8	0	0	0	0	108	I14 L31 A32 A33 V293 C308	I14-V19 HydrophobicContact CG2-CG2 3.49Å; I14-V19 VanDerWaalsContact CG2-CG2 3.49Å; V19-L31 HydrophobicContact CG1-CD1 3.73Å; V19-A32 WeakPolarHBondContact CA-O 3.4Å; V19-A33 HydrophobicContact CG2-CB 4.24Å; V19-V293 HydrophobicContact CG1-CG1 4.27Å; V19-V293 HydrophobicContact CG1-CG2 4.26Å; V19-C308 HydrophobicContact CG1-CB 4.46Å
20	A	96.7	Very high	92.2	Very high	8 Å²	8	45.8 Å²	45.8	7%	0.066	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156.4	175.6	0	0	0	0	0	110.7	A32 L78 A80	A20-A32 PolarHBondContact N-O 3.16Å; A20-A32 PolarHBondContact O-N 2.78Å; A20-A32 VanDerWaalsContact O-O 3.1Å; A20-L78 HydrophobicContact CB-CD2 3.52Å; A20-A80 HydrophobicContact CB-CB 3.9Å
21	I	95.4	Very high	92.5	Very high	29 Å²	29	45.5 Å²	45.5	15%	0.149	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.8	170.2	-72.1	175.1	0	0	0	107.8	P29 C30 L31 V293 I306	I21-P29 HydrophobicContact CG2-CB 4.13Å; I21-C30 WeakPolarHBondContact CA-O 3.2Å; I21-L31 HydrophobicContact CD1-CD1 4.1Å; I21-L31 HydrophobicContact CG1-CD1 3.59Å; I21-V293 HydrophobicContact CD1-CB 4.34Å; I21-V293 HydrophobicContact CD1-CG2 3.48Å; I21-V293 VanDerWaalsContact CD1-CG2 3.48Å; I21-V293 HydrophobicContact CG1-CG2 3.83Å; I21-I306 HydrophobicContact CD1-CB 4.18Å; I21-I306 HydrophobicContact CD1-CD1 3.18Å; I21-I306 HydrophobicContact CD1-CG1 4.26Å; I21-I306 HydrophobicContact CD1-CG2 4.38Å
22	G	92.6	Very high	92.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150.9	177.6	0	0	0	0	0	111.6	Y24 C30 D90	G22-Y24 PolarHBondContact O-N 2.91Å; G22-C30 PolarHBondContact N-O 2.93Å; G22-C30 VanDerWaalsContact N-O 3.1Å; G22-C30 PolarHBondContact O-N 3.18Å; G22-D90 VanDerWaalsContact CA-OD2 3.29Å; G22-D90 WeakPolarHBondContact CA-OD2 3.11Å
23	R	93.1	Very high	93.2	Very high	143 Å²	143	35.5 Å²	35.5	54%	0.54	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	80.3	169.8	-72.9	178	-87.8	-170	-8.8	109	D25 G26 P29 D90	R23-D25 VanDerWaalsContact C-N 3.33Å; R23-D25 PolarHBondContact O-N 3.41Å; R23-G26 PolarHBondContact O-N 2.9Å; R23-G26 VanDerWaalsContact O-N 3.09Å; R23-P29 HydrophobicContact CG-CB 4.21Å; R23-D90 PolarHBondContact N-OD2 2.88Å; R23-D90 PolarHBondContact O-N 2.92Å
24	Y	91.7	Very high	93.3	Very high	6 Å²	6	30.2 Å²	30.2	2%	0.024	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.1	-174.3	-63.9	-51.8	0	0	0	114.1	G22 G26 C30 A32 I42 A80 D90 L92 V105 Y106	G22-Y24 PolarHBondContact O-N 2.91Å; Y24-G26 VanDerWaalsContact C-N 3.33Å; Y24-C30 HydrophobicContact CD2-CB 3.6Å; Y24-C30 HydrophobicContact CE2-CB 3.78Å; Y24-A32 HydrophobicContact CE2-CB 4.16Å; Y24-A32 WeakPolarHBondContact OH-CB 3.42Å; Y24-I42 HydrophobicContact CD2-CD1 4.41Å; Y24-I42 HydrophobicContact CD2-CG2 4.08Å; Y24-I42 HydrophobicContact CE2-CD1 4.29Å; Y24-I42 HydrophobicContact CE2-CG2 4.05Å; Y24-A80 HydrophobicContact CE1-CB 4.1Å; Y24-D90 WeakPolarHBondContact CD1-O 3.22Å; Y24-L92 HydrophobicContact CD1-CB 4.47Å; Y24-L92 HydrophobicContact CE1-CB 3.8Å; Y24-L92 HydrophobicContact CE1-CD1 4.47Å; Y24-V105 HydrophobicContact CD1-CB 4.23Å; Y24-V105 HydrophobicContact CD1-CG2 3.81Å; Y24-V105 HydrophobicContact CD2-CG1 4.49Å; Y24-V105 HydrophobicContact CD2-CG2 4.36Å; Y24-V105 HydrophobicContact CE1-CG2 4.25Å; Y24-V105 HydrophobicContact CG-CB 3.96Å; Y24-V105 HydrophobicContact CG-CG1 4.35Å; Y24-V105 HydrophobicContact CG-CG2 3.92Å; Y24-Y106 WeakPolarHBondContact O-CB 3.44Å
25	D	86.5	Confident	93.2	Very high	45 Å²	45	30.5 Å²	30.5	24%	0.241	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	11.8	172.9	66.6	-4.2	0	0	0	112.3	R23 T27 H28 Y106	R23-D25 VanDerWaalsContact C-N 3.33Å; R23-D25 PolarHBondContact O-N 3.41Å; D25-T27 PolarHBondContact O-N 3.14Å; D25-T27 PolarHBondContact OD1-N 3.08Å; D25-T27 PolarHBondContact OD1-OG1 2.91Å; D25-H28 PolarHBondContact OD1-N 3.31Å; D25-H28 IonicContact OD1-ND1 3.03Å; D25-H28 WeakPolarHBondContact OD2-CB 3.38Å; D25-H28 IonicContact OD2-CE1 3.53Å; D25-H28 IonicContact OD2-CG 2.73Å; D25-H28 IonicContact OD2-ND1 2.72Å; D25-H28 PolarHBondContact OD2-ND1 3.37Å; D25-Y106 HydrophobicContact CB-CD2 3.6Å; D25-Y106 HydrophobicContact CB-CE2 4.04Å; D25-Y106 HydrophobicContact CB-CG 4.36Å
26	G	86.3	Confident	92.9	Very high	24 Å²	24	35.3 Å²	35.3	25%	0.247	18%	0.178	C	C	.	.	S	Bend	trans	79.7	-14	-176.8	0	0	0	0	0	115.4	R23 Y24 G88	R23-G26 PolarHBondContact O-N 2.9Å; R23-G26 VanDerWaalsContact O-N 3.09Å; Y24-G26 VanDerWaalsContact C-N 3.33Å; G26-G88 WeakPolarHBondContact CA-O 3.27Å
27	T	87.3	Confident	92.6	Very high	90 Å²	90	37.4 Å²	37.4	55%	0.552	20%	0.199	S	C	*	.	S	Bend	trans	-127.8	-49	-172.5	50.9	0	0	0	0	113.4	D25	D25-T27 PolarHBondContact O-N 3.14Å; D25-T27 PolarHBondContact OD1-N 3.08Å; D25-T27 PolarHBondContact OD1-OG1 2.91Å
28	H	88.9	Confident	92.4	Very high	58 Å²	58	33.2 Å²	33.2	27%	0.269	19%	0.186	S	C	.	.	S	Bend	trans	-92.2	119.7	-175.1	-57.6	93.6	0	0	0	110.9	D25 C30 H46 M299	D25-H28 PolarHBondContact OD1-N 3.31Å; D25-H28 IonicContact OD1-ND1 3.03Å; D25-H28 WeakPolarHBondContact OD2-CB 3.38Å; D25-H28 IonicContact OD2-CE1 3.53Å; D25-H28 IonicContact OD2-CG 2.73Å; D25-H28 IonicContact OD2-ND1 2.72Å; D25-H28 PolarHBondContact OD2-ND1 3.37Å; H28-C30 PolarHBondContact O-N 2.98Å; H28-H46 HydrophobicContact CB-CB 4.33Å; H28-H46 VanDerWaalsContact CD2-CB 3.5Å; H28-H46 WeakPolarHBondContact CD2-CB 3.47Å; H28-H46 AromaticContact CD2-CD2 3.96Å; H28-H46 AromaticContact CD2-CG 3.76Å; H28-M299 PolarHBondContact CD2-SD 3.14Å
29	P	91.9	Very high	92.3	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.058	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	130	176.4	23.1	-22.8	0	0	0	110.5	I21 R23 D296	I21-P29 HydrophobicContact CG2-CB 4.13Å; R23-P29 HydrophobicContact CG-CB 4.21Å; P29-D296 WeakPolarHBondContact CG-O 3.09Å
30	C	93.9	Very high	92.2	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.02	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.6	-180	-60.8	0	0	0	0	109.7	I21 G22 Y24 H28 I42 H43 N44	I21-C30 WeakPolarHBondContact CA-O 3.2Å; G22-C30 PolarHBondContact N-O 2.93Å; G22-C30 VanDerWaalsContact N-O 3.1Å; G22-C30 PolarHBondContact O-N 3.18Å; Y24-C30 HydrophobicContact CD2-CB 3.6Å; Y24-C30 HydrophobicContact CE2-CB 3.78Å; H28-C30 PolarHBondContact O-N 2.98Å; C30-I42 HydrophobicContact CB-CG2 3.87Å; C30-H43 WeakPolarHBondContact CA-O 3.42Å; C30-N44 PolarHBondContact SG-ND2 3.31Å
31	L	95.3	Very high	92.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.7	175.2	-177	76.1	0	0	0	109.3	V19 I21 I42 H43 V293 Y297 I314	V19-L31 HydrophobicContact CG1-CD1 3.73Å; I21-L31 HydrophobicContact CD1-CD1 4.1Å; I21-L31 HydrophobicContact CG1-CD1 3.59Å; L31-I42 CarbonylContact O-C 3.58Å; L31-I42 VanDerWaalsContact O-CA 3.29Å; L31-I42 WeakPolarHBondContact O-CA 3.49Å; L31-H43 HydrophobicContact CB-CB 4.43Å; L31-H43 PolarHBondContact N-O 2.73Å; L31-H43 PolarHBondContact O-N 3.48Å; L31-V293 HydrophobicContact CD1-CG2 4.38Å; L31-Y297 HydrophobicContact CB-CE2 4.11Å; L31-I314 HydrophobicContact CD2-CD1 3.37Å; L31-I314 HydrophobicContact CD2-CG1 4.29Å
32	A	96.4	Very high	92.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.6	168.6	0	0	0	0	0	110.5	V19 A20 Y24 V40 F41 I42 L78 L92	V19-A32 WeakPolarHBondContact CA-O 3.4Å; A20-A32 PolarHBondContact N-O 3.16Å; A20-A32 PolarHBondContact O-N 2.78Å; A20-A32 VanDerWaalsContact O-O 3.1Å; Y24-A32 HydrophobicContact CE2-CB 4.16Å; Y24-A32 WeakPolarHBondContact OH-CB 3.42Å; A32-V40 HydrophobicContact CB-CG1 4.43Å; A32-F41 WeakPolarHBondContact CA-O 3.22Å; A32-I42 HydrophobicContact CB-CG1 4.24Å; A32-L78 HydrophobicContact CB-CD2 4.28Å; A32-L92 HydrophobicContact CB-CD1 3.85Å
33	A	96.5	Very high	92	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	142.2	177.4	0	0	0	0	0	112.3	I14 M18 V19 V40 F41	I14-A33 HydrophobicContact CG2-CB 4.03Å; M18-A33 VanDerWaalsContact O-CA 3.26Å; M18-A33 WeakPolarHBondContact O-CA 3.43Å; V19-A33 HydrophobicContact CG2-CB 4.24Å; A33-V40 CarbonylContact O-C 3.6Å; A33-V40 WeakPolarHBondContact O-CA 3.38Å; A33-F41 HydrophobicContact CB-CD1 4.36Å; A33-F41 HydrophobicContact CB-CE1 3.67Å; A33-F41 HydrophobicContact CB-CE2 3.97Å; A33-F41 HydrophobicContact CB-CZ 3.45Å; A33-F41 VanDerWaalsContact CB-CZ 3.45Å; A33-F41 PolarHBondContact N-O 3.1Å; A33-F41 WeakPolarHBondContact O-CD1 3.43Å; A33-F41 PolarHBondContact O-N 2.88Å
34	A	96.2	Very high	91.8	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	145.5	174.7	0	0	0	0	0	110.8	S15 M18 V40 V75 L78	S15-A34 PolarHBondContact N-O 2.73Å; M18-A34 HydrophobicContact CB-CB 3.57Å; M18-A34 HydrophobicContact CG-CB 4.25Å; M18-A34 PolarHBondContact O-N 3.03Å; M18-A34 HydrophobicContact SD-CB 3.72Å; A34-V40 HydrophobicContact CB-CG2 4.42Å; A34-V75 HydrophobicContact CB-CB 3.99Å; A34-V75 HydrophobicContact CB-CG1 4.01Å; A34-V75 HydrophobicContact CB-CG2 4.34Å; A34-L78 HydrophobicContact CB-CD1 4.34Å
35	T	94.3	Very high	91.2	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	171.9	176.5	-165.7	0	0	0	0	111.2	K13 K39 F41	K13-T35 WeakPolarHBondContact O-CA 3.31Å; K13-T35 VanDerWaalsContact O-CB 3.25Å; K13-T35 WeakPolarHBondContact O-CB 3.38Å; K13-T35 PolarHBondContact O-OG1 2.84Å; T35-K39 HydrophobicContact CG2-CB 3.7Å; T35-K39 WeakPolarHBondContact CG2-O 3.42Å; T35-K39 PolarHBondContact N-O 3.11Å; T35-F41 HydrophobicContact CG2-CD1 4.4Å
36	Q	88.7	Confident	90.9	Very high	132 Å²	132	30.4 Å²	30.4	62%	0.617	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	155.2	177	62.8	-174.9	0.3	0	0	112.2	G38	Q36-G38 VanDerWaalsContact C-N 3.34Å
37	A	88.1	Confident	90	Very high	89 Å²	89	31.9 Å²	31.9	74%	0.736	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	27.1	-178.1	0	0	0	0	0	115.4
38	G	88.3	Confident	88.2	Confident	10 Å²	10	38.5 Å²	38.5	10%	0.103	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	42.7	171	0	0	0	0	0	113.2	Q36 I71 N72 Q73	Q36-G38 VanDerWaalsContact C-N 3.34Å; G38-I71 WeakPolarHBondContact O-CB 3.38Å; G38-I71 PolarHBondContact O-N 2.97Å; G38-I71 VanDerWaalsContact O-N 3.16Å; G38-N72 PolarHBondContact O-N 3.4Å; G38-Q73 WeakPolarHBondContact CA-O 3.47Å
39	K	93.6	Very high	86	Confident	69 Å²	69	43 Å²	43	30%	0.3	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153.4	177.2	-59.8	-175.3	-179	-169.4	0	109.7	T35 L69 N70	T35-K39 HydrophobicContact CG2-CB 3.7Å; T35-K39 WeakPolarHBondContact CG2-O 3.42Å; T35-K39 PolarHBondContact N-O 3.11Å; K39-L69 VanDerWaalsContact CA-O 3.31Å; K39-L69 WeakPolarHBondContact CA-O 3.37Å; K39-N70 VanDerWaalsContact CE-OD1 3.27Å; K39-N70 WeakPolarHBondContact CE-OD1 3.28Å
40	V	95.4	Very high	83.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.8	169	173.6	0	0	0	0	106.8	A32 A33 A34 L69 I71 V75 L78 L92 V94	A32-V40 HydrophobicContact CB-CG1 4.43Å; A33-V40 CarbonylContact O-C 3.6Å; A33-V40 WeakPolarHBondContact O-CA 3.38Å; A34-V40 HydrophobicContact CB-CG2 4.42Å; V40-L69 HydrophobicContact CB-CB 4.25Å; V40-L69 HydrophobicContact CG1-CD1 4.47Å; V40-L69 PolarHBondContact N-O 3.35Å; V40-L69 WeakPolarHBondContact O-CB 3.38Å; V40-L69 PolarHBondContact O-N 3.27Å; V40-I71 HydrophobicContact CB-CG1 4.49Å; V40-I71 HydrophobicContact CG2-CD1 4.33Å; V40-I71 HydrophobicContact CG2-CG1 3.85Å; V40-V75 HydrophobicContact CG2-CG2 4.08Å; V40-L78 HydrophobicContact CB-CD1 4.45Å; V40-L78 HydrophobicContact CG1-CD1 3.75Å; V40-L78 HydrophobicContact CG2-CD1 3.8Å; V40-L92 HydrophobicContact CG1-CD2 4.29Å; V40-V94 HydrophobicContact CG2-CG1 4.4Å; V40-V94 HydrophobicContact CG2-CG2 4.35Å
41	F	94.3	Very high	81.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	147.1	171.3	72.8	-99.2	0	0	0	109.9	L10 H12 I14 A32 A33 T35 V66 S67 L68	L10-F41 HydrophobicContact CD1-CD2 4.11Å; L10-F41 HydrophobicContact CD1-CE2 3.22Å; L10-F41 HydrophobicContact CD1-CZ 3.55Å; H12-F41 HydrophobicContact CB-CD1 3.88Å; H12-F41 HydrophobicContact CB-CE1 3.92Å; I14-F41 HydrophobicContact CD1-CZ 3.96Å; I14-F41 HydrophobicContact CG1-CE1 3.91Å; I14-F41 HydrophobicContact CG1-CZ 3.8Å; A32-F41 WeakPolarHBondContact CA-O 3.22Å; A33-F41 HydrophobicContact CB-CD1 4.36Å; A33-F41 HydrophobicContact CB-CE1 3.67Å; A33-F41 HydrophobicContact CB-CE2 3.97Å; A33-F41 HydrophobicContact CB-CZ 3.45Å; A33-F41 VanDerWaalsContact CB-CZ 3.45Å; A33-F41 PolarHBondContact N-O 3.1Å; A33-F41 WeakPolarHBondContact O-CD1 3.43Å; A33-F41 PolarHBondContact O-N 2.88Å; T35-F41 HydrophobicContact CG2-CD1 4.4Å; F41-V66 HydrophobicContact CB-CG1 3.81Å; F41-V66 HydrophobicContact CD2-CG1 4.26Å; F41-V66 HydrophobicContact CG-CG1 4.34Å; F41-S67 CarbonylContact C-O 3.58Å; F41-S67 VanDerWaalsContact CA-O 3.28Å; F41-S67 WeakPolarHBondContact CA-O 3.46Å; F41-L68 HydrophobicContact CB-CD2 3.67Å
42	I	94	Very high	78.7	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.041	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.8	173.5	-59.1	-175.7	0	0	0	106.9	Y24 C30 L31 A32 V66 S67 L69 L92 V105	Y24-I42 HydrophobicContact CD2-CD1 4.41Å; Y24-I42 HydrophobicContact CD2-CG2 4.08Å; Y24-I42 HydrophobicContact CE2-CD1 4.29Å; Y24-I42 HydrophobicContact CE2-CG2 4.05Å; C30-I42 HydrophobicContact CB-CG2 3.87Å; L31-I42 CarbonylContact O-C 3.58Å; L31-I42 VanDerWaalsContact O-CA 3.29Å; L31-I42 WeakPolarHBondContact O-CA 3.49Å; A32-I42 HydrophobicContact CB-CG1 4.24Å; I42-V66 WeakPolarHBondContact O-CA 3.21Å; I42-S67 PolarHBondContact N-O 2.94Å; I42-S67 PolarHBondContact O-N 3.17Å; I42-L69 HydrophobicContact CD1-CD1 3.66Å; I42-L69 HydrophobicContact CD1-CG 4.21Å; I42-L69 HydrophobicContact CG1-CD1 4.21Å; I42-L69 HydrophobicContact CG1-CG 4.5Å; I42-L92 HydrophobicContact CD1-CD2 4.17Å; I42-V105 HydrophobicContact CD1-CB 4.14Å; I42-V105 HydrophobicContact CD1-CG1 3.45Å; I42-V105 VanDerWaalsContact CD1-CG1 3.45Å; I42-V105 HydrophobicContact CD1-CG2 3.51Å
43	H	92.4	Very high	76	Confident	10 Å²	10	66.3 Å²	66.3	5%	0.046	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.6	172.7	178.6	-74	0	0	0	109.5	L10 C30 L31 D65 V66 Y297	L10-H43 VanDerWaalsContact CD2-CD2 3.48Å; L10-H43 WeakPolarHBondContact CD2-CD2 3.38Å; C30-H43 WeakPolarHBondContact CA-O 3.42Å; L31-H43 HydrophobicContact CB-CB 4.43Å; L31-H43 PolarHBondContact N-O 2.73Å; L31-H43 PolarHBondContact O-N 3.48Å; H43-D65 WeakPolarHBondContact CA-O 3.39Å; H43-V66 HydrophobicContact CB-CG2 4.37Å; H43-Y297 PolarHBondContact CE1-OH 2.87Å; H43-Y297 AromaticContact ND1-CZ 3.77Å; H43-Y297 PolarHBondContact ND1-OH 2.97Å
44	N	88.3	Confident	73.6	Confident	22 Å²	22	67.6 Å²	67.6	12%	0.118	36%	0.36	C	S	.	.			trans	-119.6	107.5	175.1	-175.2	-14.5	0	0	0	109.5	C30 H46 T47 D65	C30-N44 PolarHBondContact SG-ND2 3.31Å; N44-H46 PolarHBondContact O-N 2.88Å; N44-H46 WeakPolarHBondContact OD1-CB 3.01Å; N44-H46 PolarHBondContact OD1-N 2.91Å; N44-T47 WeakPolarHBondContact CB-OG1 3.3Å; N44-T47 PolarHBondContact ND2-OG1 3.31Å; N44-T47 VanDerWaalsContact ND2-OG1 3.16Å; N44-T47 PolarHBondContact OD1-N 3.22Å; N44-D65 PolarHBondContact N-O 2.83Å
45	P	79	Confident	71.4	Confident	45 Å²	45	72.6 Å²	72.6	29%	0.292	40%	0.395	S	S	.	.	S	Bend	trans	-74.1	-13.6	179.3	28.1	-30.2	0	0	0	113.8	Y297	P45-Y297 HydrophobicContact CG-CD1 4.41Å; P45-Y297 HydrophobicContact CG-CE1 3.91Å; P45-Y297 HydrophobicContact CG-CE2 4.35Å
46	H	79.8	Confident	69.4	Low	60 Å²	60	77.3 Å²	77.3	28%	0.278	41%	0.412	S	S	.	.	S	Bend	trans	-99.7	-16.9	-168.4	-58.2	-57.3	0	0	0	113.5	H28 N44 R48 Y297	H28-H46 HydrophobicContact CB-CB 4.33Å; H28-H46 VanDerWaalsContact CD2-CB 3.5Å; H28-H46 WeakPolarHBondContact CD2-CB 3.47Å; H28-H46 AromaticContact CD2-CD2 3.96Å; H28-H46 AromaticContact CD2-CG 3.76Å; N44-H46 PolarHBondContact O-N 2.88Å; N44-H46 WeakPolarHBondContact OD1-CB 3.01Å; N44-H46 PolarHBondContact OD1-N 2.91Å; H46-R48 PolarHBondContact O-N 2.87Å; H46-Y297 PolarHBondContact NE2-O 3.01Å
47	T	66.6	Low	67.9	Low	55 Å²	55	71.7 Å²	71.7	34%	0.337	39%	0.387	S	S	.	.			trans	-85.7	90	173.7	33.4	0	0	0	0	112.2	N44	N44-T47 WeakPolarHBondContact CB-OG1 3.3Å; N44-T47 PolarHBondContact ND2-OG1 3.31Å; N44-T47 VanDerWaalsContact ND2-OG1 3.16Å; N44-T47 PolarHBondContact OD1-N 3.22Å
48	R	49.9	Very low	66.4	Low	228 Å²	228	72.6 Å²	72.6	86%	0.86	37%	0.374	S	S	*	.	S	Bend	trans	-84.4	112.8	156.5	-82.4	-178.8	170.3	-179.2	-1.6	109.2	H46	H46-R48 PolarHBondContact O-N 2.87Å
49	N	42.2	Very low	64.9	Low	152 Å²	152	75.7 Å²	75.7	81%	0.813	39%	0.386	S	S	*	.	S	Bend	trans	64.7	61.1	167.8	-68.1	-14.2	0	0	0	117.9
50	Q	44.4	Very low	62.8	Low	132 Å²	132	72.9 Å²	72.9	62%	0.617	38%	0.375	S	S	*	.			trans	-118.8	112.2	153.8	-73.3	-173.1	1.5	0	0	109.9	V52 Q59	Q50-V52 PolarHBondContact O-N 2.82Å; Q50-V52 VanDerWaalsContact O-N 3.1Å; Q50-Q59 PolarHBondContact O-NE2 2.92Å
51	H	41.3	Very low	60.5	Low	167 Å²	167	78.9 Å²	78.9	77%	0.773	41%	0.414	S	S	*	.			trans	-72.1	95.8	175	-81.1	-68.5	0	0	0	109.4
52	V	43.1	Very low	58.3	Low	84 Å²	84	84.6 Å²	84.6	51%	0.509	44%	0.444	S	S	.	.			trans	-102.2	85.6	165.8	-170.5	0	0	0	0	107.7	Q50 A54	Q50-V52 PolarHBondContact O-N 2.82Å; Q50-V52 VanDerWaalsContact O-N 3.1Å; V52-A54 HydrophobicContact CG1-CB 4.43Å; V52-A54 PolarHBondContact O-N 3.33Å
53	S	38.7	Very low	56.7	Low	119 Å²	119	86.1 Å²	86.1	83%	0.832	45%	0.451	S	S	*	.			trans	-81.5	103.2	167.4	51.1	0	0	0	0	108.7
54	A	47.8	Very low	55.2	Low	27 Å²	27	89.3 Å²	89.3	22%	0.223	47%	0.474	C	S	.	.			trans	-135	162	175.5	0	0	0	0	0	111.7	V52 R56 V57 N108	V52-A54 HydrophobicContact CG1-CB 4.43Å; V52-A54 PolarHBondContact O-N 3.33Å; A54-R56 VanDerWaalsContact C-N 3.33Å; A54-R56 PolarHBondContact O-N 3.5Å; A54-V57 PolarHBondContact O-N 3.17Å; A54-N108 WeakPolarHBondContact CB-ND2 3.48Å
55	S	49.8	Very low	54.6	Low	107 Å²	107	90.9 Å²	90.9	75%	0.748	48%	0.483	S	S	*	.	S	Bend	trans	-65.2	-24.1	-164.5	-174.9	0	0	0	0	116.1
56	R	52.6	Low	54.9	Low	107 Å²	107	88.8 Å²	88.8	40%	0.404	47%	0.469	S	S	.	.	S	Bend	trans	-110.6	-18.9	-179.9	-71.4	-171.7	-176.4	174.6	5.9	114	A54 L69 N70 D110	A54-R56 VanDerWaalsContact C-N 3.33Å; A54-R56 PolarHBondContact O-N 3.5Å; R56-L69 WeakPolarHBondContact O-CA 3.41Å; R56-N70 PolarHBondContact O-N 3.18Å; R56-D110 IonicContact CZ-OD1 3.69Å; R56-D110 IonicContact CZ-OD2 3.9Å; R56-D110 IonicContact NH1-OD1 3.84Å; R56-D110 PolarHBondContact NH1-OD1 3.42Å; R56-D110 IonicContact NH1-OD2 3.31Å; R56-D110 PolarHBondContact NH1-OD2 2.96Å; R56-D110 IonicContact NH2-OD2 2.88Å; R56-D110 PolarHBondContact NH2-OD2 3.03Å
57	V	56.8	Low	55.4	Low	15 Å²	15	87.4 Å²	87.4	9%	0.091	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.3	-178.1	-165.5	0	0	0	0	109.1	A54 L68 L69 Y103 N108	A54-V57 PolarHBondContact O-N 3.17Å; V57-L68 WeakPolarHBondContact CA-O 3.43Å; V57-L69 HydrophobicContact CB-CD2 4.04Å; V57-L69 HydrophobicContact CG1-CD2 3.98Å; V57-L69 HydrophobicContact CG2-CD2 3.47Å; V57-L69 VanDerWaalsContact CG2-CD2 3.47Å; V57-Y103 WeakPolarHBondContact CG2-OH 3.24Å; V57-N108 HydrophobicContact CG2-CB 4.4Å
58	F	56.5	Low	56.5	Low	107 Å²	107	85.8 Å²	85.8	47%	0.469	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.4	174.9	-66.7	-88.3	0	0	0	109.5	S60 S67 L68 N70	F58-S60 PolarHBondContact O-N 3.07Å; F58-S67 CarbonylContact O-C 3.51Å; F58-L68 PolarHBondContact N-O 3.32Å; F58-L68 PolarHBondContact O-N 3.43Å; F58-N70 WeakPolarHBondContact CD2-ND2 3.09Å; F58-N70 WeakPolarHBondContact CE2-ND2 3.47Å
59	Q	56.3	Low	58.4	Low	76 Å²	76	75.2 Å²	75.2	36%	0.355	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	133.4	164.5	-87	175.8	-27.6	0	0	109.1	Q50	Q50-Q59 PolarHBondContact O-NE2 2.92Å
60	S	49.6	Very low	60.8	Low	9 Å²	9	69.9 Å²	69.9	6%	0.063	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	126.5	174.5	176.7	0	0	0	0	108.7	F58 L62 E63 V66	F58-S60 PolarHBondContact O-N 3.07Å; S60-L62 PolarHBondContact O-N 3.39Å; S60-L62 PolarHBondContact OG-N 3.2Å; S60-E63 WeakPolarHBondContact CB-O 3.3Å; S60-E63 PolarHBondContact O-N 2.94Å; S60-V66 WeakPolarHBondContact CB-O 3.19Å; S60-V66 PolarHBondContact N-O 3.49Å
61	P	47.1	Very low	63.1	Low	127 Å²	127	65 Å²	65	83%	0.825	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-5.2	178.5	25.2	-31.9	0	0	0	113
62	L	49	Very low	65.4	Low	119 Å²	119	63.3 Å²	63.3	62%	0.623	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-21.1	-175	-66.9	161.9	0	0	0	113.4	S60	S60-L62 PolarHBondContact O-N 3.39Å; S60-L62 PolarHBondContact OG-N 3.2Å
63	E	59.8	Low	67.5	Low	40 Å²	40	62.5 Å²	62.5	19%	0.187	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	116.8	-177.5	-87.2	167.3	-164.4	0	0	109.3	R11 S60 D65 V66	R11-E63 WeakPolarHBondContact CD-OE1 3.37Å; R11-E63 WeakPolarHBondContact CG-OE1 3.37Å; R11-E63 IonicContact NE-OE1 2.66Å; R11-E63 PolarHBondContact NE-OE1 2.88Å; S60-E63 WeakPolarHBondContact CB-O 3.3Å; S60-E63 PolarHBondContact O-N 2.94Å; E63-D65 PolarHBondContact O-N 3.36Å; E63-D65 VanDerWaalsContact O-N 3.16Å; E63-V66 HydrophobicContact CB-CB 4.38Å; E63-V66 HydrophobicContact CB-CG2 4.24Å; E63-V66 PolarHBondContact O-N 2.87Å
64	S	60.4	Low	69.9	Low	78 Å²	78	60.7 Å²	60.7	55%	0.545	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	-22.9	-178.1	48.8	0	0	0	0	113.9
65	D	75.2	Confident	72.2	Confident	55 Å²	55	60.3 Å²	60.3	29%	0.294	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-1.7	-166.5	-53.3	-6.8	0	0	0	111.8	H43 N44 E63	H43-D65 WeakPolarHBondContact CA-O 3.39Å; N44-D65 PolarHBondContact N-O 2.83Å; E63-D65 PolarHBondContact O-N 3.36Å; E63-D65 VanDerWaalsContact O-N 3.16Å
66	V	86.1	Confident	74.3	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.2	180	-178.8	0	0	0	0	110.6	L10 F41 I42 H43 S60 E63	L10-V66 HydrophobicContact CD2-CG2 4.26Å; F41-V66 HydrophobicContact CB-CG1 3.81Å; F41-V66 HydrophobicContact CD2-CG1 4.26Å; F41-V66 HydrophobicContact CG-CG1 4.34Å; I42-V66 WeakPolarHBondContact O-CA 3.21Å; H43-V66 HydrophobicContact CB-CG2 4.37Å; S60-V66 WeakPolarHBondContact CB-O 3.19Å; S60-V66 PolarHBondContact N-O 3.49Å; E63-V66 HydrophobicContact CB-CB 4.38Å; E63-V66 HydrophobicContact CB-CG2 4.24Å; E63-V66 PolarHBondContact O-N 2.87Å
67	S	89.7	Confident	76.3	Confident	32 Å²	32	51.8 Å²	51.8	22%	0.224	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.7	172.5	-64.2	0	0	0	0	110.6	F41 I42 F58	F41-S67 CarbonylContact C-O 3.58Å; F41-S67 VanDerWaalsContact CA-O 3.28Å; F41-S67 WeakPolarHBondContact CA-O 3.46Å; I42-S67 PolarHBondContact N-O 2.94Å; I42-S67 PolarHBondContact O-N 3.17Å; F58-S67 CarbonylContact O-C 3.51Å
68	L	90.1	Very high	78.2	Confident	21 Å²	21	51.6 Å²	51.6	11%	0.11	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.3	178.9	-69.6	171.1	0	0	0	110.9	F41 V57 F58	F41-L68 HydrophobicContact CB-CD2 3.67Å; V57-L68 WeakPolarHBondContact CA-O 3.43Å; F58-L68 PolarHBondContact N-O 3.32Å; F58-L68 PolarHBondContact O-N 3.43Å
69	L	90.6	Very high	80.1	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.5	170.8	-56.1	-177.6	0	0	0	109.6	K39 V40 I42 R56 V57 I71 L92 Y103	K39-L69 VanDerWaalsContact CA-O 3.31Å; K39-L69 WeakPolarHBondContact CA-O 3.37Å; V40-L69 HydrophobicContact CB-CB 4.25Å; V40-L69 HydrophobicContact CG1-CD1 4.47Å; V40-L69 PolarHBondContact N-O 3.35Å; V40-L69 WeakPolarHBondContact O-CB 3.38Å; V40-L69 PolarHBondContact O-N 3.27Å; I42-L69 HydrophobicContact CD1-CD1 3.66Å; I42-L69 HydrophobicContact CD1-CG 4.21Å; I42-L69 HydrophobicContact CG1-CD1 4.21Å; I42-L69 HydrophobicContact CG1-CG 4.5Å; R56-L69 WeakPolarHBondContact O-CA 3.41Å; V57-L69 HydrophobicContact CB-CD2 4.04Å; V57-L69 HydrophobicContact CG1-CD2 3.98Å; V57-L69 HydrophobicContact CG2-CD2 3.47Å; V57-L69 VanDerWaalsContact CG2-CD2 3.47Å; L69-I71 HydrophobicContact CB-CD1 4.45Å; L69-I71 PolarHBondContact O-N 3.03Å; L69-L92 HydrophobicContact CD1-CD2 3.56Å; L69-Y103 HydrophobicContact CD1-CD1 4.04Å; L69-Y103 HydrophobicContact CD1-CE1 3.88Å; L69-Y103 HydrophobicContact CD2-CE1 3.88Å
70	N	92.1	Very high	82	Confident	41 Å²	41	45.1 Å²	45.1	22%	0.219	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	100.9	176.2	-65.7	-45.6	0	0	0	110.3	K39 R56 F58	K39-N70 VanDerWaalsContact CE-OD1 3.27Å; K39-N70 WeakPolarHBondContact CE-OD1 3.28Å; R56-N70 PolarHBondContact O-N 3.18Å; F58-N70 WeakPolarHBondContact CD2-ND2 3.09Å; F58-N70 WeakPolarHBondContact CE2-ND2 3.47Å
71	I	92.1	Very high	84.2	Confident	30 Å²	30	45.2 Å²	45.2	15%	0.154	27%	0.273	C	S	.	.			trans	-81.1	-30.9	173.2	-49	-57.8	0	0	0	110.3	G38 V40 L69 Q73 V75 V94 T96 L101	G38-I71 WeakPolarHBondContact O-CB 3.38Å; G38-I71 PolarHBondContact O-N 2.97Å; G38-I71 VanDerWaalsContact O-N 3.16Å; V40-I71 HydrophobicContact CB-CG1 4.49Å; V40-I71 HydrophobicContact CG2-CD1 4.33Å; V40-I71 HydrophobicContact CG2-CG1 3.85Å; L69-I71 HydrophobicContact CB-CD1 4.45Å; L69-I71 PolarHBondContact O-N 3.03Å; I71-Q73 HydrophobicContact CG2-CB 4.31Å; I71-Q73 PolarHBondContact O-N 3.39Å; I71-Q73 VanDerWaalsContact O-N 3.13Å; I71-V75 HydrophobicContact CB-CG2 4.48Å; I71-V75 HydrophobicContact CG1-CG2 4.27Å; I71-V75 HydrophobicContact CG2-CG2 4.42Å; I71-V94 HydrophobicContact CD1-CB 4.49Å; I71-V94 HydrophobicContact CD1-CG1 4.12Å; I71-V94 HydrophobicContact CD1-CG2 4.25Å; I71-V94 HydrophobicContact CG1-CG1 4.13Å; I71-V94 HydrophobicContact CG2-CG1 4.18Å; I71-T96 HydrophobicContact CG2-CG2 4.13Å; I71-L101 HydrophobicContact CD1-CD2 4.24Å
72	N	89.2	Confident	86.4	Confident	131 Å²	131	42 Å²	42	70%	0.701	25%	0.251	S	S	*	.			trans	59.7	16.4	-178.2	-53.6	-51.7	0	0	0	114	G38	G38-N72 PolarHBondContact O-N 3.4Å
73	Q	87.8	Confident	88.5	Confident	67 Å²	67	36.3 Å²	36.3	31%	0.313	22%	0.222	S	C	.	.	S	Bend	trans	-138	154.6	175.4	-66.7	-177	2	0	0	109	G38 I71 V75 T96 N99	G38-Q73 WeakPolarHBondContact CA-O 3.47Å; I71-Q73 HydrophobicContact CG2-CB 4.31Å; I71-Q73 PolarHBondContact O-N 3.39Å; I71-Q73 VanDerWaalsContact O-N 3.13Å; Q73-V75 PolarHBondContact O-N 3.1Å; Q73-T96 HydrophobicContact CB-CG2 3.86Å; Q73-T96 PolarHBondContact OE1-OG1 2.83Å; Q73-N99 PolarHBondContact NE2-ND2 3.45Å; Q73-N99 PolarHBondContact OE1-ND2 3.17Å
74	A	90.3	Very high	89.9	Confident	81 Å²	81	35.5 Å²	35.5	67%	0.669	22%	0.218	S	C	*	.			trans	-66.3	120.6	173.7	0	0	0	0	0	109.4	T96	A74-T96 WeakPolarHBondContact O-CB 3.5Å
75	V	94.8	Very high	91.3	Very high	18 Å²	18	36 Å²	36	11%	0.109	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	133.2	175.3	-177.4	0	0	0	0	108.1	M18 A34 V40 I71 Q73 C77 L78 V94	M18-V75 WeakPolarHBondContact CE-O 3.35Å; M18-V75 HydrophobicContact CG-CG1 4.5Å; M18-V75 HydrophobicContact SD-CB 4.12Å; M18-V75 HydrophobicContact SD-CG1 3.98Å; A34-V75 HydrophobicContact CB-CB 3.99Å; A34-V75 HydrophobicContact CB-CG1 4.01Å; A34-V75 HydrophobicContact CB-CG2 4.34Å; V40-V75 HydrophobicContact CG2-CG2 4.08Å; I71-V75 HydrophobicContact CB-CG2 4.48Å; I71-V75 HydrophobicContact CG1-CG2 4.27Å; I71-V75 HydrophobicContact CG2-CG2 4.42Å; Q73-V75 PolarHBondContact O-N 3.1Å; V75-C77 WeakPolarHBondContact CG1-O 3.48Å; V75-L78 HydrophobicContact CG1-CB 4.47Å; V75-V94 HydrophobicContact CB-CG1 4.44Å; V75-V94 HydrophobicContact CG1-CG1 3.87Å; V75-V94 HydrophobicContact CG2-CG1 3.79Å
76	S	94.2	Very high	91.9	Very high	29 Å²	29	41.7 Å²	41.7	20%	0.203	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-29.9	178.9	44.8	0	0	0	0	111.9	M18 G95 T96 A120	M18-S76 WeakPolarHBondContact CE-O 3.43Å; S76-G95 PolarHBondContact N-O 2.86Å; S76-G95 PolarHBondContact OG-O 3.01Å; S76-T96 VanDerWaalsContact OG-CA 3.29Å; S76-T96 WeakPolarHBondContact OG-CA 3.26Å; S76-A120 VanDerWaalsContact CB-O 3.24Å; S76-A120 WeakPolarHBondContact CB-O 3.3Å; S76-A120 PolarHBondContact OG-O 3.43Å
77	C	95.2	Very high	91.6	Very high	7 Å²	7	45.7 Å²	45.7	5%	0.047	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	151.9	174.1	65.1	0	0	0	0	111.4	V75 G95 A120 I123	V75-C77 WeakPolarHBondContact CG1-O 3.48Å; C77-G95 PolarHBondContact N-O 2.87Å; C77-G95 PolarHBondContact O-N 3.26Å; C77-A120 PolarHBondContact SG-O 2.98Å; C77-A120 VanDerWaalsContact SG-O 3.36Å; C77-I123 HydrophobicContact CB-CB 4.32Å; C77-I123 HydrophobicContact CB-CG2 3.76Å
78	L	96.8	Very high	91.4	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	131	-176.8	-172.9	152.9	0	0	0	109.3	M18 A20 A32 A34 V40 V75 L92 L93	M18-L78 HydrophobicContact CB-CB 4.04Å; A20-L78 HydrophobicContact CB-CD2 3.52Å; A32-L78 HydrophobicContact CB-CD2 4.28Å; A34-L78 HydrophobicContact CB-CD1 4.34Å; V40-L78 HydrophobicContact CB-CD1 4.45Å; V40-L78 HydrophobicContact CG1-CD1 3.75Å; V40-L78 HydrophobicContact CG2-CD1 3.8Å; V75-L78 HydrophobicContact CG1-CB 4.47Å; L78-L92 HydrophobicContact CD1-CD1 4.45Å; L78-L92 HydrophobicContact CD2-CD1 3.99Å; L78-L92 HydrophobicContact CG-CD1 4.1Å; L78-L93 WeakPolarHBondContact CA-O 3.27Å
79	T	96.8	Very high	91.4	Very high	29 Å²	29	47.1 Å²	47.1	18%	0.178	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	164	173.8	-166.5	0	0	0	0	110.9	L93 I123 L125	T79-L93 HydrophobicContact CG2-CB 3.89Å; T79-L93 HydrophobicContact CG2-CD1 4.45Å; T79-L93 PolarHBondContact N-O 3.26Å; T79-L93 VanDerWaalsContact N-O 3.09Å; T79-L93 PolarHBondContact O-N 2.89Å; T79-I123 HydrophobicContact CG2-CB 4.47Å; T79-I123 HydrophobicContact CG2-CD1 4.08Å; T79-I123 HydrophobicContact CG2-CG1 4.01Å; T79-I123 HydrophobicContact CG2-CG2 3.7Å; T79-L125 HydrophobicContact CG2-CB 4.3Å
80	A	96.1	Very high	91.5	Very high	18 Å²	18	47.9 Å²	47.9	15%	0.149	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.8	175	0	0	0	0	0	110	A20 Y24 A91	A20-A80 HydrophobicContact CB-CB 3.9Å; Y24-A80 HydrophobicContact CE1-CB 4.1Å; A80-A91 WeakPolarHBondContact CA-O 3.41Å
81	G	94.4	Very high	91.7	Very high	11 Å²	11	46 Å²	46	11%	0.113	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.3	178.9	174.7	0	0	0	0	0	113.3	L83 D90 A91	G81-L83 PolarHBondContact O-N 3.1Å; G81-L83 VanDerWaalsContact O-N 3.12Å; G81-D90 VanDerWaalsContact C-OD1 3.29Å; G81-D90 WeakPolarHBondContact CA-OD1 3.38Å; G81-A91 PolarHBondContact N-O 3.29Å; G81-A91 PolarHBondContact O-N 2.79Å
82	V	93.9	Very high	91.9	Very high	59 Å²	59	44.6 Å²	44.6	36%	0.358	27%	0.269	S	S	.	.			trans	-76.6	100.7	-175.5	-175.7	0	0	0	0	110.9	D90	V82-D90 VanDerWaalsContact CG2-OD1 3.23Å; V82-D90 WeakPolarHBondContact CG2-OD1 3.39Å; V82-D90 PolarHBondContact N-OD1 2.81Å
83	L	92.2	Very high	92.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	24%	0.235	C	C	.	.	S	Bend	trans	-88.2	-30.2	176.3	-172.3	65.1	0	0	0	113.1	G81 A91 A102 L111 F112 L125 P134 A136 H149	G81-L83 PolarHBondContact O-N 3.1Å; G81-L83 VanDerWaalsContact O-N 3.12Å; L83-A91 HydrophobicContact CB-CB 3.89Å; L83-A91 HydrophobicContact CD2-CB 4.45Å; L83-A102 HydrophobicContact CD2-CB 4.04Å; L83-L111 HydrophobicContact CD2-CD1 4.37Å; L83-F112 HydrophobicContact CD2-CD1 4.5Å; L83-F112 HydrophobicContact CD2-CE1 3.88Å; L83-L125 HydrophobicContact CB-CD1 4.26Å; L83-L125 HydrophobicContact CD1-CD1 4.33Å; L83-P134 VanDerWaalsContact O-CG 3.28Å; L83-P134 WeakPolarHBondContact O-CG 3.18Å; L83-A136 HydrophobicContact CD1-CB 4.2Å; L83-H149 HydrophobicContact CD2-CB 4.42Å; L83-H149 HydrophobicContact CG-CB 4.06Å
84	N	90.4	Very high	92.7	Very high	22 Å²	22	35.2 Å²	35.2	12%	0.118	22%	0.221	C	C	.	.			trans	-123.4	108.1	169.3	-175.8	-3	0	0	0	109	E86 L87 H149	N84-E86 PolarHBondContact O-N 3.07Å; N84-E86 VanDerWaalsContact O-N 3.1Å; N84-E86 WeakPolarHBondContact OD1-CB 3.39Å; N84-E86 PolarHBondContact OD1-N 3.09Å; N84-L87 HydrophobicContact CB-CB 4.5Å; N84-L87 HydrophobicContact CB-CD1 3.8Å; N84-L87 HydrophobicContact CB-CG 4.14Å; N84-L87 PolarHBondContact O-N 3.42Å; N84-H149 HydrophobicContact CB-CB 3.98Å
85	P	88.6	Confident	93	Very high	89 Å²	89	31.3 Å²	31.3	58%	0.578	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.6	179.4	-25.3	35.3	0	0	0	114.4	L87 P134	P85-L87 VanDerWaalsContact C-N 3.33Å; P85-L87 PolarHBondContact O-N 2.67Å; P85-P134 HydrophobicContact CG-CG 4.06Å
86	E	88.1	Confident	92.9	Very high	174 Å²	174	30.7 Å²	30.7	81%	0.813	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.3	-178.8	-59.7	-179.3	168.5	0	0	113.4	N84	N84-E86 PolarHBondContact O-N 3.07Å; N84-E86 VanDerWaalsContact O-N 3.1Å; N84-E86 WeakPolarHBondContact OD1-CB 3.39Å; N84-E86 PolarHBondContact OD1-N 3.09Å
87	L	81.1	Confident	92.6	Very high	84 Å²	84	32.9 Å²	32.9	44%	0.44	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-20.7	-171.7	-69.4	172.4	0	0	0	113.6	N84 P85 Y89 L111	N84-L87 HydrophobicContact CB-CB 4.5Å; N84-L87 HydrophobicContact CB-CD1 3.8Å; N84-L87 HydrophobicContact CB-CG 4.14Å; N84-L87 PolarHBondContact O-N 3.42Å; P85-L87 VanDerWaalsContact C-N 3.33Å; P85-L87 PolarHBondContact O-N 2.67Å; L87-Y89 HydrophobicContact CB-CD1 3.71Å; L87-Y89 HydrophobicContact CB-CE1 3.47Å; L87-Y89 VanDerWaalsContact CB-CE1 3.47Å; L87-Y89 HydrophobicContact CD1-CE1 3.81Å; L87-Y89 WeakPolarHBondContact CD1-OH 2.94Å; L87-Y89 HydrophobicContact CD2-CE1 4.14Å; L87-Y89 HydrophobicContact CG-CE1 4Å; L87-Y89 PolarHBondContact O-N 3.06Å; L87-L111 HydrophobicContact CD1-CD2 4.35Å
88	G	84.2	Confident	92.2	Very high	54 Å²	54	34.7 Å²	34.7	56%	0.557	20%	0.203	S	C	*	.			trans	66.9	13.7	175.3	0	0	0	0	0	115.9	G26	G26-G88 WeakPolarHBondContact CA-O 3.27Å
89	Y	89.9	Confident	91.9	Very high	29 Å²	29	34.7 Å²	34.7	11%	0.114	20%	0.203	C	C	.	.	S	Bend	trans	-123.5	158.2	173.1	66.8	-104.7	0	0	0	111.6	L87 D104	L87-Y89 HydrophobicContact CB-CD1 3.71Å; L87-Y89 HydrophobicContact CB-CE1 3.47Å; L87-Y89 VanDerWaalsContact CB-CE1 3.47Å; L87-Y89 HydrophobicContact CD1-CE1 3.81Å; L87-Y89 WeakPolarHBondContact CD1-OH 2.94Å; L87-Y89 HydrophobicContact CD2-CE1 4.14Å; L87-Y89 HydrophobicContact CG-CE1 4Å; L87-Y89 PolarHBondContact O-N 3.06Å; Y89-D104 HydrophobicContact CE2-CB 3.91Å; Y89-D104 VanDerWaalsContact CZ-CG 3.48Å; Y89-D104 VanDerWaalsContact OH-CG 3.28Å; Y89-D104 PolarHBondContact OH-OD2 2.77Å
90	D	94.3	Very high	91.8	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.118	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-83.3	130.2	175.8	-70.1	-32.8	0	0	0	111	G22 R23 Y24 G81 V82	G22-D90 VanDerWaalsContact CA-OD2 3.29Å; G22-D90 WeakPolarHBondContact CA-OD2 3.11Å; R23-D90 PolarHBondContact N-OD2 2.88Å; R23-D90 PolarHBondContact O-N 2.92Å; Y24-D90 WeakPolarHBondContact CD1-O 3.22Å; G81-D90 VanDerWaalsContact C-OD1 3.29Å; G81-D90 WeakPolarHBondContact CA-OD1 3.38Å; V82-D90 VanDerWaalsContact CG2-OD1 3.23Å; V82-D90 WeakPolarHBondContact CG2-OD1 3.39Å; V82-D90 PolarHBondContact N-OD1 2.81Å
91	A	95.3	Very high	91.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	137.9	170.3	0	0	0	0	0	109.6	A80 G81 L83 L93 L111	A80-A91 WeakPolarHBondContact CA-O 3.41Å; G81-A91 PolarHBondContact N-O 3.29Å; G81-A91 PolarHBondContact O-N 2.79Å; L83-A91 HydrophobicContact CB-CB 3.89Å; L83-A91 HydrophobicContact CD2-CB 4.45Å; A91-L93 HydrophobicContact CB-CD1 4.04Å; A91-L93 WeakPolarHBondContact O-CD1 3.47Å; A91-L111 HydrophobicContact CB-CD1 3.47Å; A91-L111 VanDerWaalsContact CB-CD1 3.47Å
92	L	96.9	Very high	91.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.4	169.6	176.4	63.4	0	0	0	109.1	Y24 A32 V40 I42 L69 L78 V94 Y103 V105	Y24-L92 HydrophobicContact CD1-CB 4.47Å; Y24-L92 HydrophobicContact CE1-CB 3.8Å; Y24-L92 HydrophobicContact CE1-CD1 4.47Å; A32-L92 HydrophobicContact CB-CD1 3.85Å; V40-L92 HydrophobicContact CG1-CD2 4.29Å; I42-L92 HydrophobicContact CD1-CD2 4.17Å; L69-L92 HydrophobicContact CD1-CD2 3.56Å; L78-L92 HydrophobicContact CD1-CD1 4.45Å; L78-L92 HydrophobicContact CD2-CD1 3.99Å; L78-L92 HydrophobicContact CG-CD1 4.1Å; L92-V94 HydrophobicContact CD2-CG2 4.22Å; L92-V94 HydrophobicContact CG-CG2 4Å; L92-Y103 HydrophobicContact CD2-CD1 4.49Å; L92-Y103 PolarHBondContact N-O 2.82Å; L92-Y103 PolarHBondContact O-N 2.96Å; L92-V105 HydrophobicContact CB-CG2 3.96Å; L92-V105 HydrophobicContact CD2-CG2 4.06Å
93	L	96.9	Very high	91.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.5	175.6	-70.6	82.9	0	0	0	109.9	L78 T79 A91 L101 A102 I123 L125 A136	L78-L93 WeakPolarHBondContact CA-O 3.27Å; T79-L93 HydrophobicContact CG2-CB 3.89Å; T79-L93 HydrophobicContact CG2-CD1 4.45Å; T79-L93 PolarHBondContact N-O 3.26Å; T79-L93 VanDerWaalsContact N-O 3.09Å; T79-L93 PolarHBondContact O-N 2.89Å; A91-L93 HydrophobicContact CB-CD1 4.04Å; A91-L93 WeakPolarHBondContact O-CD1 3.47Å; L93-L101 CarbonylContact C-O 3.6Å; L93-L101 WeakPolarHBondContact CA-O 3.48Å; L93-A102 HydrophobicContact CG-CB 4.37Å; L93-I123 HydrophobicContact CB-CD1 3.79Å; L93-I123 HydrophobicContact CD2-CD1 3.65Å; L93-I123 HydrophobicContact CG-CD1 4.39Å; L93-L125 HydrophobicContact CD1-CD1 3.5Å; L93-L125 HydrophobicContact CD2-CD1 4.34Å; L93-A136 HydrophobicContact CD2-CB 3.3Å
94	V	96.7	Very high	91.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.3	178.6	-173.8	0	0	0	0	108.3	V40 I71 V75 L92 L101	V40-V94 HydrophobicContact CG2-CG1 4.4Å; V40-V94 HydrophobicContact CG2-CG2 4.35Å; I71-V94 HydrophobicContact CD1-CB 4.49Å; I71-V94 HydrophobicContact CD1-CG1 4.12Å; I71-V94 HydrophobicContact CD1-CG2 4.25Å; I71-V94 HydrophobicContact CG1-CG1 4.13Å; I71-V94 HydrophobicContact CG2-CG1 4.18Å; V75-V94 HydrophobicContact CB-CG1 4.44Å; V75-V94 HydrophobicContact CG1-CG1 3.87Å; V75-V94 HydrophobicContact CG2-CG1 3.79Å; L92-V94 HydrophobicContact CD2-CG2 4.22Å; L92-V94 HydrophobicContact CG-CG2 4Å; V94-L101 HydrophobicContact CB-CB 4.46Å; V94-L101 PolarHBondContact N-O 3.49Å; V94-L101 PolarHBondContact O-N 3Å
95	G	95.4	Very high	91.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	137.9	172.1	0	0	0	0	0	111.1	S76 C77	S76-G95 PolarHBondContact N-O 2.86Å; S76-G95 PolarHBondContact OG-O 3.01Å; C77-G95 PolarHBondContact N-O 2.87Å; C77-G95 PolarHBondContact O-N 3.26Å
96	T	92.9	Very high	91.9	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	174.6	169.3	75.4	0	0	0	0	108.9	I71 Q73 A74 S76 T98 N99 A120	I71-T96 HydrophobicContact CG2-CG2 4.13Å; Q73-T96 HydrophobicContact CB-CG2 3.86Å; Q73-T96 PolarHBondContact OE1-OG1 2.83Å; A74-T96 WeakPolarHBondContact O-CB 3.5Å; S76-T96 VanDerWaalsContact OG-CA 3.29Å; S76-T96 WeakPolarHBondContact OG-CA 3.26Å; T96-T98 PolarHBondContact O-N 2.85Å; T96-T98 PolarHBondContact OG1-N 3.02Å; T96-N99 PolarHBondContact N-O 3.07Å; T96-N99 WeakPolarHBondContact OG1-CB 3.42Å; T96-N99 PolarHBondContact OG1-N 3.12Å; T96-N99 PolarHBondContact OG1-O 3.32Å; T96-A120 WeakPolarHBondContact O-CB 3.32Å; T96-A120 PolarHBondContact O-N 2.75Å
97	Q	88.4	Confident	91.9	Very high	76 Å²	76	29.7 Å²	29.7	36%	0.355	16%	0.159	S	C	.	.	S	Bend	trans	-61.7	-12.6	178.7	-159.4	61.1	52.7	0	0	113.7	G119 N121	Q97-G119 WeakPolarHBondContact O-CA 3.2Å; Q97-N121 PolarHBondContact NE2-OD1 2.57Å
98	T	86.4	Confident	92.3	Very high	44 Å²	44	28 Å²	28	27%	0.27	15%	0.15	S	C	.	.	S	Bend	trans	-136.8	-10	-178.2	59.4	0	0	0	0	114.6	T96 V116	T96-T98 PolarHBondContact O-N 2.85Å; T96-T98 PolarHBondContact OG1-N 3.02Å; T98-V116 CarbonylContact C-O 3.42Å; T98-V116 WeakPolarHBondContact CA-O 3.32Å; T98-V116 CarbonylContact O-C 3.59Å; T98-V116 PolarHBondContact O-N 2.93Å
99	N	90.7	Very high	92.6	Very high	11 Å²	11	27.8 Å²	27.8	6%	0.059	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.6	-173.6	-60.9	-60.5	0	0	0	111.8	Q73 T96 Y113	Q73-N99 PolarHBondContact NE2-ND2 3.45Å; Q73-N99 PolarHBondContact OE1-ND2 3.17Å; T96-N99 PolarHBondContact N-O 3.07Å; T96-N99 WeakPolarHBondContact OG1-CB 3.42Å; T96-N99 PolarHBondContact OG1-N 3.12Å; T96-N99 PolarHBondContact OG1-O 3.32Å; N99-Y113 HydrophobicContact CB-CE2 4.22Å; N99-Y113 VanDerWaalsContact CG-OH 3.23Å; N99-Y113 PolarHBondContact ND2-OH 3.34Å
100	L	94.5	Very high	92.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.5	168	179	64.6	0	0	0	109	F112 R114 V116 I123 I138 F147	L100-F112 HydrophobicContact CD2-CE2 3.78Å; L100-F112 HydrophobicContact CD2-CZ 3.88Å; L100-F112 HydrophobicContact CG-CE2 3.91Å; L100-F112 HydrophobicContact CG-CZ 4.27Å; L100-R114 PolarHBondContact N-O 3.25Å; L100-R114 PolarHBondContact O-N 2.81Å; L100-V116 HydrophobicContact CB-CG2 3.87Å; L100-I123 HydrophobicContact CD1-CD1 3.63Å; L100-I138 HydrophobicContact CD1-CG2 4.09Å; L100-I138 HydrophobicContact CD2-CG2 3.82Å; L100-F147 HydrophobicContact CD2-CD2 3.39Å; L100-F147 HydrophobicContact CD2-CE2 3.7Å; L100-F147 HydrophobicContact CD2-CG 4.42Å
101	L	95.4	Very high	92.5	Very high	14 Å²	14	30.5 Å²	30.5	7%	0.073	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.5	175.1	169.8	64.5	0	0	0	109.1	I71 L93 V94 D110 Y113	I71-L101 HydrophobicContact CD1-CD2 4.24Å; L93-L101 CarbonylContact C-O 3.6Å; L93-L101 WeakPolarHBondContact CA-O 3.48Å; V94-L101 HydrophobicContact CB-CB 4.46Å; V94-L101 PolarHBondContact N-O 3.49Å; V94-L101 PolarHBondContact O-N 3Å; L101-D110 HydrophobicContact CD1-CB 4.13Å; L101-Y113 HydrophobicContact CB-CD2 3.96Å; L101-Y113 HydrophobicContact CB-CE2 4.26Å; L101-Y113 HydrophobicContact CD1-CD2 3.87Å; L101-Y113 HydrophobicContact CG-CD2 4.43Å
102	A	95.4	Very high	92.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.3	164	0	0	0	0	0	108.7	L83 L93 L111 F112	L83-A102 HydrophobicContact CD2-CB 4.04Å; L93-A102 HydrophobicContact CG-CB 4.37Å; A102-L111 HydrophobicContact CB-CB 3.95Å; A102-L111 HydrophobicContact CB-CD1 4.35Å; A102-L111 PolarHBondContact O-N 3.11Å; A102-F112 HydrophobicContact CB-CD1 3.68Å; A102-F112 HydrophobicContact CB-CD2 4.43Å; A102-F112 HydrophobicContact CB-CE1 3.47Å; A102-F112 VanDerWaalsContact CB-CE1 3.47Å; A102-F112 HydrophobicContact CB-CE2 4.23Å; A102-F112 HydrophobicContact CB-CG 4.17Å; A102-F112 HydrophobicContact CB-CZ 3.76Å; A102-F112 PolarHBondContact N-O 3.18Å
103	Y	94.8	Very high	92.2	Very high	6 Å²	6	36.8 Å²	36.8	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.4	-166.9	-174.7	-111.9	0	0	0	111.9	V57 L69 L92 V105 N108 D110	V57-Y103 WeakPolarHBondContact CG2-OH 3.24Å; L69-Y103 HydrophobicContact CD1-CD1 4.04Å; L69-Y103 HydrophobicContact CD1-CE1 3.88Å; L69-Y103 HydrophobicContact CD2-CE1 3.88Å; L92-Y103 HydrophobicContact CD2-CD1 4.49Å; L92-Y103 PolarHBondContact N-O 2.82Å; L92-Y103 PolarHBondContact O-N 2.96Å; Y103-V105 HydrophobicContact CD1-CB 4.41Å; Y103-V105 HydrophobicContact CD1-CG2 3.68Å; Y103-V105 HydrophobicContact CE1-CB 4.26Å; Y103-V105 HydrophobicContact CE1-CG2 3.91Å; Y103-N108 PolarHBondContact OH-OD1 2.63Å; Y103-D110 VanDerWaalsContact CD2-OD1 3.26Å; Y103-D110 WeakPolarHBondContact CD2-OD1 3.22Å
104	D	93.6	Very high	91.9	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	108.3	167	177.7	-12.7	0	0	0	108.4	Y89 Y106 N107 N108 S109	Y89-D104 HydrophobicContact CE2-CB 3.91Å; Y89-D104 VanDerWaalsContact CZ-CG 3.48Å; Y89-D104 VanDerWaalsContact OH-CG 3.28Å; Y89-D104 PolarHBondContact OH-OD2 2.77Å; D104-Y106 PolarHBondContact OD1-N 2.7Å; D104-N107 PolarHBondContact OD1-N 2.77Å; D104-N107 WeakPolarHBondContact OD2-CB 3.04Å; D104-N107 PolarHBondContact OD2-ND2 3.23Å; D104-N108 VanDerWaalsContact O-CA 3.23Å; D104-N108 WeakPolarHBondContact O-CA 3.46Å; D104-N108 PolarHBondContact O-N 3.18Å; D104-S109 WeakPolarHBondContact CB-O 3.36Å; D104-S109 PolarHBondContact N-O 3.1Å; D104-S109 PolarHBondContact O-N 3.19Å; D104-S109 VanDerWaalsContact O-N 3.1Å
105	V	90.9	Very high	91.4	Very high	26 Å²	26	48.5 Å²	48.5	16%	0.158	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-33.9	-177.3	175.4	0	0	0	0	111.6	Y24 I42 L92 Y103	Y24-V105 HydrophobicContact CD1-CB 4.23Å; Y24-V105 HydrophobicContact CD1-CG2 3.81Å; Y24-V105 HydrophobicContact CD2-CG1 4.49Å; Y24-V105 HydrophobicContact CD2-CG2 4.36Å; Y24-V105 HydrophobicContact CE1-CG2 4.25Å; Y24-V105 HydrophobicContact CG-CB 3.96Å; Y24-V105 HydrophobicContact CG-CG1 4.35Å; Y24-V105 HydrophobicContact CG-CG2 3.92Å; I42-V105 HydrophobicContact CD1-CB 4.14Å; I42-V105 HydrophobicContact CD1-CG1 3.45Å; I42-V105 VanDerWaalsContact CD1-CG1 3.45Å; I42-V105 HydrophobicContact CD1-CG2 3.51Å; L92-V105 HydrophobicContact CB-CG2 3.96Å; L92-V105 HydrophobicContact CD2-CG2 4.06Å; Y103-V105 HydrophobicContact CD1-CB 4.41Å; Y103-V105 HydrophobicContact CD1-CG2 3.68Å; Y103-V105 HydrophobicContact CE1-CB 4.26Å; Y103-V105 HydrophobicContact CE1-CG2 3.91Å
106	Y	89	Confident	91	Very high	155 Å²	155	48.6 Å²	48.6	61%	0.608	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-47.8	-175.1	-178.3	-103.2	0	0	0	111.2	Y24 D25 D104 N108	Y24-Y106 WeakPolarHBondContact O-CB 3.44Å; D25-Y106 HydrophobicContact CB-CD2 3.6Å; D25-Y106 HydrophobicContact CB-CE2 4.04Å; D25-Y106 HydrophobicContact CB-CG 4.36Å; D104-Y106 PolarHBondContact OD1-N 2.7Å; Y106-N108 VanDerWaalsContact C-N 3.33Å
107	N	87.2	Confident	90.3	Very high	96 Å²	96	51 Å²	51	51%	0.513	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.5	178.3	-63.6	-52.6	0	0	0	113.2	D104 S109	D104-N107 PolarHBondContact OD1-N 2.77Å; D104-N107 WeakPolarHBondContact OD2-CB 3.04Å; D104-N107 PolarHBondContact OD2-ND2 3.23Å; N107-S109 VanDerWaalsContact C-N 3.31Å; N107-S109 PolarHBondContact O-N 2.66Å
108	N	89.2	Confident	90	Very high	48 Å²	48	48.2 Å²	48.2	26%	0.257	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	52	-173	168.6	57.8	0	0	0	110.9	A54 V57 Y103 D104 Y106	A54-N108 WeakPolarHBondContact CB-ND2 3.48Å; V57-N108 HydrophobicContact CG2-CB 4.4Å; Y103-N108 PolarHBondContact OH-OD1 2.63Å; D104-N108 VanDerWaalsContact O-CA 3.23Å; D104-N108 WeakPolarHBondContact O-CA 3.46Å; D104-N108 PolarHBondContact O-N 3.18Å; Y106-N108 VanDerWaalsContact C-N 3.33Å
109	S	90.2	Very high	89.9	Confident	50 Å²	50	46.1 Å²	46.1	35%	0.35	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.7	-179.5	56.6	0	0	0	0	111.6	D104 N107	D104-S109 WeakPolarHBondContact CB-O 3.36Å; D104-S109 PolarHBondContact N-O 3.1Å; D104-S109 PolarHBondContact O-N 3.19Å; D104-S109 VanDerWaalsContact O-N 3.1Å; N107-S109 VanDerWaalsContact C-N 3.31Å; N107-S109 PolarHBondContact O-N 2.66Å
110	D	91.5	Very high	90	Very high	61 Å²	61	45.6 Å²	45.6	33%	0.326	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	123.3	174.6	-58.4	-13.3	0	0	0	108.1	R56 L101 Y103	R56-D110 IonicContact CZ-OD1 3.69Å; R56-D110 IonicContact CZ-OD2 3.9Å; R56-D110 IonicContact NH1-OD1 3.84Å; R56-D110 PolarHBondContact NH1-OD1 3.42Å; R56-D110 IonicContact NH1-OD2 3.31Å; R56-D110 PolarHBondContact NH1-OD2 2.96Å; R56-D110 IonicContact NH2-OD2 2.88Å; R56-D110 PolarHBondContact NH2-OD2 3.03Å; L101-D110 HydrophobicContact CD1-CB 4.13Å; Y103-D110 VanDerWaalsContact CD2-OD1 3.26Å; Y103-D110 WeakPolarHBondContact CD2-OD1 3.22Å
111	L	91.4	Very high	90	Very high	46 Å²	46	47.2 Å²	47.2	24%	0.241	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-48.6	170.4	-76.5	154.1	0	0	0	109.2	L83 L87 A91 A102	L83-L111 HydrophobicContact CD2-CD1 4.37Å; L87-L111 HydrophobicContact CD1-CD2 4.35Å; A91-L111 HydrophobicContact CB-CD1 3.47Å; A91-L111 VanDerWaalsContact CB-CD1 3.47Å; A102-L111 HydrophobicContact CB-CB 3.95Å; A102-L111 HydrophobicContact CB-CD1 4.35Å; A102-L111 PolarHBondContact O-N 3.11Å
112	F	93.9	Very high	89.9	Confident	16 Å²	16	46.9 Å²	46.9	7%	0.07	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	158.5	165.6	68.3	-100.2	0	0	0	110.2	L83 L100 A102 R114 F147 N148	L83-F112 HydrophobicContact CD2-CD1 4.5Å; L83-F112 HydrophobicContact CD2-CE1 3.88Å; L100-F112 HydrophobicContact CD2-CE2 3.78Å; L100-F112 HydrophobicContact CD2-CZ 3.88Å; L100-F112 HydrophobicContact CG-CE2 3.91Å; L100-F112 HydrophobicContact CG-CZ 4.27Å; A102-F112 HydrophobicContact CB-CD1 3.68Å; A102-F112 HydrophobicContact CB-CD2 4.43Å; A102-F112 HydrophobicContact CB-CE1 3.47Å; A102-F112 VanDerWaalsContact CB-CE1 3.47Å; A102-F112 HydrophobicContact CB-CE2 4.23Å; A102-F112 HydrophobicContact CB-CG 4.17Å; A102-F112 HydrophobicContact CB-CZ 3.76Å; A102-F112 PolarHBondContact N-O 3.18Å; F112-R114 HydrophobicContact CD2-CB 4.02Å; F112-R114 HydrophobicContact CE2-CB 4.25Å; F112-F147 HydrophobicContact CE1-CB 4.42Å; F112-F147 HydrophobicContact CZ-CB 4Å; F112-N148 WeakPolarHBondContact CE1-O 3.39Å
113	Y	92.4	Very high	90	Very high	117 Å²	117	47.9 Å²	47.9	46%	0.459	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	115.5	170.1	-174.6	-97.1	0	0	0	108.1	N99 L101	N99-Y113 HydrophobicContact CB-CE2 4.22Å; N99-Y113 VanDerWaalsContact CG-OH 3.23Å; N99-Y113 PolarHBondContact ND2-OH 3.34Å; L101-Y113 HydrophobicContact CB-CD2 3.96Å; L101-Y113 HydrophobicContact CB-CE2 4.26Å; L101-Y113 HydrophobicContact CD1-CD2 3.87Å; L101-Y113 HydrophobicContact CG-CD2 4.43Å
114	R	90.1	Very high	90.1	Very high	89 Å²	89	48.8 Å²	48.8	34%	0.336	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.8	-173	-169.2	149.6	174.5	152.4	-2.6	111	L100 F112 F147 G151	L100-R114 PolarHBondContact N-O 3.25Å; L100-R114 PolarHBondContact O-N 2.81Å; F112-R114 HydrophobicContact CD2-CB 4.02Å; F112-R114 HydrophobicContact CE2-CB 4.25Å; R114-F147 VanDerWaalsContact CD-CE1 3.47Å; R114-F147 HydrophobicContact CG-CE1 4.33Å; R114-F147 HydrophobicContact CG-CZ 4.39Å; R114-G151 VanDerWaalsContact CD-O 3.31Å; R114-G151 WeakPolarHBondContact CD-O 3.46Å; R114-G151 PolarHBondContact NH1-O 3.34Å
115	E	86.1	Confident	90.2	Very high	159 Å²	159	50.3 Å²	50.3	74%	0.743	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	131.5	172.3	-59.7	-169.7	166.9	0	0	109.3
116	V	86.8	Confident	90.3	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	25%	0.251	C	S	.	.			trans	-123	95.7	179.6	-175.6	0	0	0	0	107.2	T98 L100 D118 G119 I138 F147	T98-V116 CarbonylContact C-O 3.42Å; T98-V116 WeakPolarHBondContact CA-O 3.32Å; T98-V116 CarbonylContact O-C 3.59Å; T98-V116 PolarHBondContact O-N 2.93Å; L100-V116 HydrophobicContact CB-CG2 3.87Å; V116-D118 PolarHBondContact O-N 3.26Å; V116-G119 PolarHBondContact O-N 3.23Å; V116-I138 HydrophobicContact CB-CD1 4.11Å; V116-I138 HydrophobicContact CG1-CD1 3.36Å; V116-I138 HydrophobicContact CG2-CD1 3.65Å; V116-F147 HydrophobicContact CG2-CE2 4.36Å; V116-F147 HydrophobicContact CG2-CZ 4.47Å
117	A	77.8	Confident	90.5	Very high	54 Å²	54	45.5 Å²	45.5	45%	0.446	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.6	-176.3	0	0	0	0	0	113.4	G119 L669 L672	A117-G119 VanDerWaalsContact C-N 3.26Å; A117-G119 PolarHBondContact O-N 3.09Å; A117-L669 WeakPolarHBondContact O-CD2 3.31Å; A117-L672 HydrophobicContact CB-CD1 4.22Å
118	D	81.8	Confident	90.7	Very high	17 Å²	17	41 Å²	41	9%	0.091	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-11.6	178.1	-56.8	-47.1	0	0	0	113.1	V116 G140 N141 A143 Q145 N676	V116-D118 PolarHBondContact O-N 3.26Å; D118-G140 WeakPolarHBondContact O-CA 3.37Å; D118-N141 VanDerWaalsContact O-CG 3.24Å; D118-N141 PolarHBondContact O-N 2.9Å; D118-N141 PolarHBondContact O-ND2 3.03Å; D118-A143 HydrophobicContact CB-CB 4.16Å; D118-A143 WeakPolarHBondContact OD2-CB 3.2Å; D118-Q145 PolarHBondContact OD2-NE2 3.04Å; D118-N676 PolarHBondContact OD1-ND2 3.42Å
119	G	86.1	Confident	90.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.			trans	80	164.9	-176.3	0	0	0	0	0	116	Q97 V116 A117 G140	Q97-G119 WeakPolarHBondContact O-CA 3.2Å; V116-G119 PolarHBondContact O-N 3.23Å; A117-G119 VanDerWaalsContact C-N 3.26Å; A117-G119 PolarHBondContact O-N 3.09Å; G119-G140 WeakPolarHBondContact O-CA 3.25Å
120	A	91.8	Very high	90.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.			trans	-117.9	87.4	179.1	0	0	0	0	0	110.4	S76 C77 T96	S76-A120 VanDerWaalsContact CB-O 3.24Å; S76-A120 WeakPolarHBondContact CB-O 3.3Å; S76-A120 PolarHBondContact OG-O 3.43Å; C77-A120 PolarHBondContact SG-O 2.98Å; C77-A120 VanDerWaalsContact SG-O 3.36Å; T96-A120 WeakPolarHBondContact O-CB 3.32Å; T96-A120 PolarHBondContact O-N 2.75Å
121	N	93.8	Very high	90.2	Very high	34 Å²	34	41.1 Å²	41.1	18%	0.182	22%	0.217	C	C	.	.	S	Bend	trans	-81.7	-37.3	179.9	-62.7	-17.3	0	0	0	111.6	Q97 G139 V163	Q97-N121 PolarHBondContact NE2-OD1 2.57Å; N121-G139 WeakPolarHBondContact CB-O 3.47Å; N121-G139 PolarHBondContact N-O 3.48Å; N121-V163 WeakPolarHBondContact CB-O 3.35Å
122	A	94.9	Very high	89.9	Confident	8 Å²	8	44.6 Å²	44.6	7%	0.066	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.6	176.1	0	0	0	0	0	110.4	I138 G139 V163 L166	A122-I138 WeakPolarHBondContact O-CA 3.41Å; A122-G139 PolarHBondContact N-O 3.01Å; A122-G139 PolarHBondContact O-N 3.21Å; A122-V163 HydrophobicContact CB-CG1 4.3Å; A122-L166 HydrophobicContact CB-CD1 4.27Å; A122-L166 HydrophobicContact CB-CG 4.05Å
123	I	96.7	Very high	89.7	Confident	21 Å²	21	45.2 Å²	45.2	11%	0.108	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	141.4	177.8	-168.7	167.9	0	0	0	110.6	C77 T79 L93 L100 I137 I138	C77-I123 HydrophobicContact CB-CB 4.32Å; C77-I123 HydrophobicContact CB-CG2 3.76Å; T79-I123 HydrophobicContact CG2-CB 4.47Å; T79-I123 HydrophobicContact CG2-CD1 4.08Å; T79-I123 HydrophobicContact CG2-CG1 4.01Å; T79-I123 HydrophobicContact CG2-CG2 3.7Å; L93-I123 HydrophobicContact CB-CD1 3.79Å; L93-I123 HydrophobicContact CD2-CD1 3.65Å; L93-I123 HydrophobicContact CG-CD1 4.39Å; L100-I123 HydrophobicContact CD1-CD1 3.63Å; I123-I137 CarbonylContact C-O 3.58Å; I123-I137 WeakPolarHBondContact CA-O 3.47Å; I123-I137 WeakPolarHBondContact CG1-O 3.35Å; I123-I138 HydrophobicContact CB-CG2 4.29Å; I123-I138 HydrophobicContact CD1-CG2 3.79Å; I123-I138 HydrophobicContact CG1-CG2 3.83Å
124	V	96.5	Very high	89.7	Confident	24 Å²	24	40.3 Å²	40.3	15%	0.145	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.3	169.3	66.5	0	0	0	0	109.1	I137 L166 L168 L179	V124-I137 HydrophobicContact CG1-CB 3.91Å; V124-I137 HydrophobicContact CG1-CD1 4.41Å; V124-I137 HydrophobicContact CG1-CG2 4.47Å; V124-I137 PolarHBondContact N-O 2.87Å; V124-I137 PolarHBondContact O-N 3.05Å; V124-L166 HydrophobicContact CB-CB 4.05Å; V124-L166 HydrophobicContact CG1-CB 3.79Å; V124-L166 HydrophobicContact CG1-CD1 4.34Å; V124-L168 HydrophobicContact CG1-CG 4.23Å; V124-L168 HydrophobicContact CG2-CD1 4.1Å; V124-L168 HydrophobicContact CG2-CG 4.02Å; V124-L179 HydrophobicContact CG1-CD1 3.78Å
125	L	95.8	Very high	89.9	Confident	34 Å²	34	36.1 Å²	36.1	18%	0.178	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.2	178.1	-174.1	154.3	0	0	0	109.4	T79 L83 L93 L135	T79-L125 HydrophobicContact CG2-CB 4.3Å; L83-L125 HydrophobicContact CB-CD1 4.26Å; L83-L125 HydrophobicContact CD1-CD1 4.33Å; L93-L125 HydrophobicContact CD1-CD1 3.5Å; L93-L125 HydrophobicContact CD2-CD1 4.34Å; L125-L135 WeakPolarHBondContact CA-O 3.35Å
126	G	93.3	Very high	90.4	Very high	14 Å²	14	28.5 Å²	28.5	14%	0.144	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164	-176.1	172.6	0	0	0	0	0	113.2	L135 L168	G126-L135 PolarHBondContact N-O 2.77Å; G126-L135 VanDerWaalsContact N-O 3.09Å; G126-L135 PolarHBondContact O-N 3.23Å; G126-L168 VanDerWaalsContact CA-CD1 3.47Å
127	T	92.9	Very high	90.9	Very high	66 Å²	66	28.4 Å²	28.4	41%	0.405	18%	0.182	S	C	.	.			trans	-83.3	134.4	175.2	24.1	0	0	0	0	110.8
128	L	91.7	Very high	91.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	16%	0.161	C	C	.	.			trans	-116.1	124	-178.9	-179.3	69.7	0	0	0	109.3	D130 I131 L135 I137 F155 L168 L179	L128-D130 PolarHBondContact O-N 3.22Å; L128-I131 VanDerWaalsContact O-CB 3.31Å; L128-I131 WeakPolarHBondContact O-CB 3.4Å; L128-I131 PolarHBondContact O-N 2.72Å; L128-L135 HydrophobicContact CB-CD1 4.4Å; L128-I137 HydrophobicContact CB-CD1 4.12Å; L128-I137 HydrophobicContact CD1-CD1 4.36Å; L128-I137 HydrophobicContact CD2-CD1 4.06Å; L128-I137 HydrophobicContact CG-CD1 4.42Å; L128-F155 HydrophobicContact CD2-CD1 4.04Å; L128-F155 HydrophobicContact CD2-CD2 3.96Å; L128-F155 HydrophobicContact CD2-CE1 4.2Å; L128-F155 HydrophobicContact CD2-CE2 4.16Å; L128-F155 HydrophobicContact CD2-CG 3.9Å; L128-F155 HydrophobicContact CD2-CZ 4.25Å; L128-L168 HydrophobicContact CD1-CD2 3.9Å; L128-L179 HydrophobicContact CD1-CB 3.76Å
129	G	87.6	Confident	92.3	Very high	15 Å²	15	25.1 Å²	25.1	16%	0.155	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-128.5	174.3	0	0	0	0	0	113.6	I131 K177	G129-I131 VanDerWaalsContact C-N 3.34Å; G129-K177 PolarHBondContact N-O 2.88Å
130	D	86.4	Confident	92.5	Very high	109 Å²	109	25.1 Å²	25.1	58%	0.583	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	1.7	177.8	-77.4	-53.9	0	0	0	114	L128 S132 K176 E193	L128-D130 PolarHBondContact O-N 3.22Å; D130-S132 PolarHBondContact O-N 3.01Å; D130-S132 VanDerWaalsContact O-N 3.16Å; D130-K176 WeakPolarHBondContact OD1-CE 3.39Å; D130-K176 IonicContact OD1-NZ 2.78Å; D130-K176 PolarHBondContact OD1-NZ 3.39Å; D130-K176 IonicContact OD2-NZ 2.71Å; D130-K176 PolarHBondContact OD2-NZ 2.95Å; D130-E193 WeakPolarHBondContact CB-OE1 3.31Å; D130-E193 PolarHBondContact N-OE1 3.03Å
131	I	87.4	Confident	92.3	Very high	38 Å²	38	25.9 Å²	25.9	20%	0.195	16%	0.162	C	C	.	.			trans	-75	110.5	179.8	-54.4	177.5	0	0	0	109.3	L128 G129 S133 L135	L128-I131 VanDerWaalsContact O-CB 3.31Å; L128-I131 WeakPolarHBondContact O-CB 3.4Å; L128-I131 PolarHBondContact O-N 2.72Å; G129-I131 VanDerWaalsContact C-N 3.34Å; I131-S133 VanDerWaalsContact C-N 3.33Å; I131-S133 PolarHBondContact O-N 3.43Å; I131-L135 HydrophobicContact CD1-CD1 3.68Å; I131-L135 HydrophobicContact CG2-CD1 4.16Å; I131-L135 HydrophobicContact CG2-CD2 4.48Å; I131-L135 HydrophobicContact CG2-CG 4.3Å
132	S	84.1	Confident	91.9	Very high	119 Å²	119	24.3 Å²	24.3	83%	0.832	15%	0.153	S	C	*	.			trans	-64.4	-30.5	-177.1	59.1	0	0	0	0	114.8	D130	D130-S132 PolarHBondContact O-N 3.01Å; D130-S132 VanDerWaalsContact O-N 3.16Å
133	S	88.9	Confident	91.7	Very high	29 Å²	29	24 Å²	24	20%	0.203	15%	0.15	C	C	.	.	S	Bend	trans	-88.1	137	178.9	60.4	0	0	0	0	111.2	I131 L135	I131-S133 VanDerWaalsContact C-N 3.33Å; I131-S133 PolarHBondContact O-N 3.43Å; S133-L135 PolarHBondContact O-N 2.96Å
134	P	93.4	Very high	91.5	Very high	14 Å²	14	23 Å²	23	9%	0.091	15%	0.145	C	C	.	.			trans	-61.9	139.1	171.3	29	-35.1	0	0	0	110.2	L83 P85	L83-P134 VanDerWaalsContact O-CG 3.28Å; L83-P134 WeakPolarHBondContact O-CG 3.18Å; P85-P134 HydrophobicContact CG-CG 4.06Å
135	L	94.9	Very high	91.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.8	-178.4	-64.7	178.8	0	0	0	110.9	L125 G126 L128 I131 S133 I137 F147 N148 L154 F155	L125-L135 WeakPolarHBondContact CA-O 3.35Å; G126-L135 PolarHBondContact N-O 2.77Å; G126-L135 VanDerWaalsContact N-O 3.09Å; G126-L135 PolarHBondContact O-N 3.23Å; L128-L135 HydrophobicContact CB-CD1 4.4Å; I131-L135 HydrophobicContact CD1-CD1 3.68Å; I131-L135 HydrophobicContact CG2-CD1 4.16Å; I131-L135 HydrophobicContact CG2-CD2 4.48Å; I131-L135 HydrophobicContact CG2-CG 4.3Å; S133-L135 PolarHBondContact O-N 2.96Å; L135-I137 HydrophobicContact CB-CD1 4.5Å; L135-I137 HydrophobicContact CB-CG1 3.88Å; L135-I137 PolarHBondContact O-N 3.3Å; L135-F147 CarbonylContact C-O 3.6Å; L135-F147 WeakPolarHBondContact CA-O 3.29Å; L135-N148 HydrophobicContact CD2-CB 4.38Å; L135-L154 HydrophobicContact CD2-CB 4.05Å; L135-L154 HydrophobicContact CD2-CD1 3.92Å; L135-L154 HydrophobicContact CD2-CG 4.44Å; L135-F155 HydrophobicContact CD1-CB 4.1Å
136	A	96.1	Very high	91.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	95	160.7	0	0	0	0	0	108.5	L83 L93 G146 F147	L83-A136 HydrophobicContact CD1-CB 4.2Å; L93-A136 HydrophobicContact CD2-CB 3.3Å; A136-G146 WeakPolarHBondContact O-CA 3.37Å; A136-F147 HydrophobicContact CB-CB 4.45Å; A136-F147 PolarHBondContact N-O 3.35Å; A136-F147 PolarHBondContact O-N 3.3Å
137	I	96.1	Very high	91.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.4	-178.4	-54.8	169.9	0	0	0	108.8	I123 V124 L128 L135 Q145 F155 L166 L168 L179	I123-I137 CarbonylContact C-O 3.58Å; I123-I137 WeakPolarHBondContact CA-O 3.47Å; I123-I137 WeakPolarHBondContact CG1-O 3.35Å; V124-I137 HydrophobicContact CG1-CB 3.91Å; V124-I137 HydrophobicContact CG1-CD1 4.41Å; V124-I137 HydrophobicContact CG1-CG2 4.47Å; V124-I137 PolarHBondContact N-O 2.87Å; V124-I137 PolarHBondContact O-N 3.05Å; L128-I137 HydrophobicContact CB-CD1 4.12Å; L128-I137 HydrophobicContact CD1-CD1 4.36Å; L128-I137 HydrophobicContact CD2-CD1 4.06Å; L128-I137 HydrophobicContact CG-CD1 4.42Å; L135-I137 HydrophobicContact CB-CD1 4.5Å; L135-I137 HydrophobicContact CB-CG1 3.88Å; L135-I137 PolarHBondContact O-N 3.3Å; I137-Q145 CarbonylContact C-O 3.57Å; I137-Q145 WeakPolarHBondContact CA-O 3.18Å; I137-F155 HydrophobicContact CG2-CD1 4.33Å; I137-F155 HydrophobicContact CG2-CE1 4.26Å; I137-L166 HydrophobicContact CG2-CD1 4.29Å; I137-L168 HydrophobicContact CD1-CD2 4.05Å; I137-L179 HydrophobicContact CD1-CD1 4.07Å; I137-L179 HydrophobicContact CG2-CD1 4.11Å; I137-L179 HydrophobicContact CG2-CD2 3.77Å
138	I	95.7	Very high	91.3	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.7	178.9	57.2	155.9	0	0	0	111.2	L100 V116 A122 I123 L144 Q145 F147	L100-I138 HydrophobicContact CD1-CG2 4.09Å; L100-I138 HydrophobicContact CD2-CG2 3.82Å; V116-I138 HydrophobicContact CB-CD1 4.11Å; V116-I138 HydrophobicContact CG1-CD1 3.36Å; V116-I138 HydrophobicContact CG2-CD1 3.65Å; A122-I138 WeakPolarHBondContact O-CA 3.41Å; I123-I138 HydrophobicContact CB-CG2 4.29Å; I123-I138 HydrophobicContact CD1-CG2 3.79Å; I123-I138 HydrophobicContact CG1-CG2 3.83Å; I138-L144 VanDerWaalsContact O-CA 3.31Å; I138-L144 WeakPolarHBondContact O-CA 3.39Å; I138-Q145 HydrophobicContact CD1-CB 4.01Å; I138-Q145 HydrophobicContact CD1-CG 4.13Å; I138-Q145 HydrophobicContact CG1-CB 3.75Å; I138-Q145 HydrophobicContact CG1-CG 4.23Å; I138-Q145 VanDerWaalsContact CG1-O 3.26Å; I138-Q145 WeakPolarHBondContact CG1-O 3.08Å; I138-Q145 PolarHBondContact N-O 3.12Å; I138-Q145 PolarHBondContact O-N 3.22Å; I138-F147 HydrophobicContact CD1-CE2 3.66Å; I138-F147 HydrophobicContact CD1-CZ 4.4Å; I138-F147 HydrophobicContact CG1-CD2 4.48Å; I138-F147 HydrophobicContact CG1-CE2 3.89Å
139	G	93.4	Very high	91.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.3	170.5	0	0	0	0	0	111	N121 A122	N121-G139 WeakPolarHBondContact CB-O 3.47Å; N121-G139 PolarHBondContact N-O 3.48Å; A122-G139 PolarHBondContact N-O 3.01Å; A122-G139 PolarHBondContact O-N 3.21Å
140	G	90.3	Very high	91.5	Very high	1 Å²	1	25 Å²	25	1%	0.01	14%	0.14	C	C	.	.			trans	-122.7	-141.3	179.4	0	0	0	0	0	112.4	D118 G119 C142 A143 V163	D118-G140 WeakPolarHBondContact O-CA 3.37Å; G119-G140 WeakPolarHBondContact O-CA 3.25Å; G140-C142 PolarHBondContact O-N 3.26Å; G140-A143 PolarHBondContact N-O 3.44Å; G140-V163 PolarHBondContact O-N 2.7Å; G140-V163 VanDerWaalsContact O-N 3.08Å
141	N	87.9	Confident	91.6	Very high	16 Å²	16	20 Å²	20	9%	0.086	11%	0.114	C	C	.	.	S	Bend	trans	-78.4	95	178	-62.8	-19.8	0	0	0	111	D118 A143 N162 N676	D118-N141 VanDerWaalsContact O-CG 3.24Å; D118-N141 PolarHBondContact O-N 2.9Å; D118-N141 PolarHBondContact O-ND2 3.03Å; N141-A143 PolarHBondContact O-N 3.38Å; N141-N162 WeakPolarHBondContact CA-OD1 3.48Å; N141-N162 PolarHBondContact OD1-OD1 3.31Å; N141-N676 PolarHBondContact O-ND2 2.86Å
142	C	86.5	Confident	91.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	60.8	8.6	-177.8	-57.2	0	0	0	0	115.2	G140 V158 T159 D161 N676	G140-C142 PolarHBondContact O-N 3.26Å; C142-V158 CarbonylContact O-C 3.6Å; C142-V158 WeakPolarHBondContact O-CA 3.47Å; C142-V158 WeakPolarHBondContact O-CG2 3.49Å; C142-T159 PolarHBondContact O-N 2.78Å; C142-D161 VanDerWaalsContact SG-CA 3.54Å; C142-N676 HydrophobicContact CB-CB 3.64Å
143	A	89.5	Confident	92	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.008	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.7	-176.5	0	0	0	0	0	112	D118 G140 N141	D118-A143 HydrophobicContact CB-CB 4.16Å; D118-A143 WeakPolarHBondContact OD2-CB 3.2Å; G140-A143 PolarHBondContact N-O 3.44Å; N141-A143 PolarHBondContact O-N 3.38Å
144	L	92.7	Very high	92.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.2	173.2	-68.1	163.3	0	0	0	108.5	I138 F155 W156 T157 V163 L166 L179 V181 F191	I138-L144 VanDerWaalsContact O-CA 3.31Å; I138-L144 WeakPolarHBondContact O-CA 3.39Å; L144-F155 HydrophobicContact CB-CE1 4.13Å; L144-W156 VanDerWaalsContact O-CA 3.26Å; L144-W156 WeakPolarHBondContact O-CA 3.44Å; L144-T157 HydrophobicContact CB-CG2 3.93Å; L144-T157 HydrophobicContact CD1-CG2 3.65Å; L144-T157 HydrophobicContact CG-CG2 4.36Å; L144-T157 PolarHBondContact N-O 3.49Å; L144-T157 PolarHBondContact O-N 2.88Å; L144-T157 VanDerWaalsContact O-N 3.16Å; L144-V163 HydrophobicContact CD2-CG1 4.32Å; L144-V163 HydrophobicContact CD2-CG2 3.83Å; L144-V163 HydrophobicContact CG-CG2 4.28Å; L144-L166 HydrophobicContact CD2-CD1 4.27Å; L144-L166 HydrophobicContact CD2-CD2 3.76Å; L144-L179 HydrophobicContact CD1-CD2 4.25Å; L144-L179 HydrophobicContact CD2-CD2 4.42Å; L144-V181 HydrophobicContact CD1-CB 4.49Å; L144-V181 HydrophobicContact CD1-CG1 4.1Å; L144-V181 HydrophobicContact CD1-CG2 3.65Å; L144-V181 HydrophobicContact CD2-CG1 4.3Å; L144-V181 HydrophobicContact CD2-CG2 4.31Å; L144-F191 HydrophobicContact CD1-CD2 4.3Å; L144-F191 HydrophobicContact CD1-CE2 4.04Å; L144-F191 HydrophobicContact CD1-CZ 4.34Å
145	Q	92.9	Very high	91.9	Very high	22 Å²	22	23.8 Å²	23.8	10%	0.103	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143	178.7	-34.6	-167.5	-17.3	0	0	109.7	D118 I137 I138 F147 F155	D118-Q145 PolarHBondContact OD2-NE2 3.04Å; I137-Q145 CarbonylContact C-O 3.57Å; I137-Q145 WeakPolarHBondContact CA-O 3.18Å; I138-Q145 HydrophobicContact CD1-CB 4.01Å; I138-Q145 HydrophobicContact CD1-CG 4.13Å; I138-Q145 HydrophobicContact CG1-CB 3.75Å; I138-Q145 HydrophobicContact CG1-CG 4.23Å; I138-Q145 VanDerWaalsContact CG1-O 3.26Å; I138-Q145 WeakPolarHBondContact CG1-O 3.08Å; I138-Q145 PolarHBondContact N-O 3.12Å; I138-Q145 PolarHBondContact O-N 3.22Å; Q145-F147 HydrophobicContact CB-CE2 4.09Å; Q145-F147 HydrophobicContact CB-CZ 3.99Å; Q145-F147 VanDerWaalsContact OE1-CZ 3.3Å; Q145-F155 CarbonylContact C-O 3.52Å; Q145-F155 VanDerWaalsContact CA-O 3.31Å; Q145-F155 WeakPolarHBondContact CA-O 3.29Å
146	G	94.3	Very high	91.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.7	179.3	0	0	0	0	0	112	A136 L154 F155	A136-G146 WeakPolarHBondContact O-CA 3.37Å; G146-L154 PolarHBondContact O-N 2.8Å; G146-F155 PolarHBondContact N-O 3.01Å; G146-F155 PolarHBondContact O-N 2.98Å
147	F	94.8	Very high	91.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	140.4	-177.5	-55.1	-73.4	0	0	0	112.9	L100 F112 R114 V116 L135 A136 I138 Q145 R152 D153	L100-F147 HydrophobicContact CD2-CD2 3.39Å; L100-F147 HydrophobicContact CD2-CE2 3.7Å; L100-F147 HydrophobicContact CD2-CG 4.42Å; F112-F147 HydrophobicContact CE1-CB 4.42Å; F112-F147 HydrophobicContact CZ-CB 4Å; R114-F147 VanDerWaalsContact CD-CE1 3.47Å; R114-F147 HydrophobicContact CG-CE1 4.33Å; R114-F147 HydrophobicContact CG-CZ 4.39Å; V116-F147 HydrophobicContact CG2-CE2 4.36Å; V116-F147 HydrophobicContact CG2-CZ 4.47Å; L135-F147 CarbonylContact C-O 3.6Å; L135-F147 WeakPolarHBondContact CA-O 3.29Å; A136-F147 HydrophobicContact CB-CB 4.45Å; A136-F147 PolarHBondContact N-O 3.35Å; A136-F147 PolarHBondContact O-N 3.3Å; I138-F147 HydrophobicContact CD1-CE2 3.66Å; I138-F147 HydrophobicContact CD1-CZ 4.4Å; I138-F147 HydrophobicContact CG1-CD2 4.48Å; I138-F147 HydrophobicContact CG1-CE2 3.89Å; Q145-F147 HydrophobicContact CB-CE2 4.09Å; Q145-F147 HydrophobicContact CB-CZ 3.99Å; Q145-F147 VanDerWaalsContact OE1-CZ 3.3Å; F147-R152 VanDerWaalsContact CA-O 3.29Å; F147-R152 WeakPolarHBondContact CA-O 3.19Å; F147-D153 HydrophobicContact CD1-CB 4.28Å; F147-D153 HydrophobicContact CE1-CB 4.03Å
148	N	93.8	Very high	91	Very high	16 Å²	16	25.2 Å²	25.2	9%	0.086	12%	0.117	C	C	.	.			trans	-82.5	-176.7	169.6	72.8	-2.4	0	0	0	112.2	F112 L135 E150 G151 R152 L154	F112-N148 WeakPolarHBondContact CE1-O 3.39Å; L135-N148 HydrophobicContact CD2-CB 4.38Å; N148-E150 PolarHBondContact O-N 2.86Å; N148-E150 PolarHBondContact OD1-N 2.92Å; N148-E150 VanDerWaalsContact OD1-N 3.1Å; N148-G151 WeakPolarHBondContact O-CA 3.44Å; N148-G151 PolarHBondContact O-N 3.06Å; N148-G151 PolarHBondContact OD1-N 3.35Å; N148-G151 VanDerWaalsContact OD1-N 3.14Å; N148-R152 PolarHBondContact N-O 3Å; N148-R152 VanDerWaalsContact N-O 3.15Å; N148-R152 WeakPolarHBondContact OD1-CB 3.34Å; N148-R152 PolarHBondContact OD1-N 2.88Å; N148-L154 HydrophobicContact CB-CD1 3.86Å
149	H	91.3	Very high	90.5	Very high	58 Å²	58	25.3 Å²	25.3	27%	0.269	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.1	178.3	67.7	88.7	0	0	0	115.1	L83 N84 G151	L83-H149 HydrophobicContact CD2-CB 4.42Å; L83-H149 HydrophobicContact CG-CB 4.06Å; N84-H149 HydrophobicContact CB-CB 3.98Å; H149-G151 VanDerWaalsContact C-N 3.32Å
150	E	90.8	Very high	89.8	Confident	101 Å²	101	25.5 Å²	25.5	47%	0.472	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-3.7	174.1	-54.5	-172.8	168.9	0	0	112.7	N148 R152	N148-E150 PolarHBondContact O-N 2.86Å; N148-E150 PolarHBondContact OD1-N 2.92Å; N148-E150 VanDerWaalsContact OD1-N 3.1Å; E150-R152 HydrophobicContact CB-CG 4.32Å; E150-R152 IonicContact OE2-CZ 3.32Å; E150-R152 IonicContact OE2-NE 2.68Å; E150-R152 PolarHBondContact OE2-NE 2.78Å; E150-R152 IonicContact OE2-NH2 2.75Å; E150-R152 PolarHBondContact OE2-NH2 2.87Å
151	G	89.7	Confident	89.7	Confident	4 Å²	4	27 Å²	27	4%	0.041	13%	0.127	C	C	.	.			trans	76.8	19.3	-174.7	0	0	0	0	0	114	R114 N148 H149	R114-G151 VanDerWaalsContact CD-O 3.31Å; R114-G151 WeakPolarHBondContact CD-O 3.46Å; R114-G151 PolarHBondContact NH1-O 3.34Å; N148-G151 WeakPolarHBondContact O-CA 3.44Å; N148-G151 PolarHBondContact O-N 3.06Å; N148-G151 PolarHBondContact OD1-N 3.35Å; N148-G151 VanDerWaalsContact OD1-N 3.14Å; H149-G151 VanDerWaalsContact C-N 3.32Å
152	R	90.3	Very high	89.9	Confident	150 Å²	150	27.5 Å²	27.5	57%	0.566	13%	0.13	S	C	*	.			trans	-78.2	137.5	173.2	-61.1	-173	-165.1	-173.1	6.4	110.7	F147 N148 E150 L154	F147-R152 VanDerWaalsContact CA-O 3.29Å; F147-R152 WeakPolarHBondContact CA-O 3.19Å; N148-R152 PolarHBondContact N-O 3Å; N148-R152 VanDerWaalsContact N-O 3.15Å; N148-R152 WeakPolarHBondContact OD1-CB 3.34Å; N148-R152 PolarHBondContact OD1-N 2.88Å; E150-R152 HydrophobicContact CB-CG 4.32Å; E150-R152 IonicContact OE2-CZ 3.32Å; E150-R152 IonicContact OE2-NE 2.68Å; E150-R152 PolarHBondContact OE2-NE 2.78Å; E150-R152 IonicContact OE2-NH2 2.75Å; E150-R152 PolarHBondContact OE2-NH2 2.87Å; R152-L154 PolarHBondContact O-N 2.84Å
153	D	89.3	Confident	90.2	Very high	35 Å²	35	27.5 Å²	27.5	19%	0.187	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	108.1	176.7	175.6	19.8	0	0	0	109.5	F147 F155 R699 R703	F147-D153 HydrophobicContact CD1-CB 4.28Å; F147-D153 HydrophobicContact CE1-CB 4.03Å; D153-F155 VanDerWaalsContact OD1-O 3.07Å; D153-R699 IonicContact OD1-NH2 3.48Å; D153-R699 IonicContact OD2-CZ 3.36Å; D153-R699 IonicContact OD2-NH1 3.19Å; D153-R699 PolarHBondContact OD2-NH1 2.8Å; D153-R699 IonicContact OD2-NH2 3.15Å; D153-R699 PolarHBondContact OD2-NH2 3.4Å; D153-R703 IonicContact OD2-NH2 2.76Å; D153-R703 PolarHBondContact OD2-NH2 3.09Å
154	L	90.4	Very high	90.5	Very high	89 Å²	89	29.9 Å²	29.9	47%	0.466	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-16.8	-179.3	-67.9	-176.7	0	0	0	113.1	L135 G146 N148 R152	L135-L154 HydrophobicContact CD2-CB 4.05Å; L135-L154 HydrophobicContact CD2-CD1 3.92Å; L135-L154 HydrophobicContact CD2-CG 4.44Å; G146-L154 PolarHBondContact O-N 2.8Å; N148-L154 HydrophobicContact CB-CD1 3.86Å; R152-L154 PolarHBondContact O-N 2.84Å
155	F	90.3	Very high	90.6	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.022	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.6	-177.6	169.5	-112.3	0	0	0	109.2	L128 L135 I137 L144 Q145 G146 D153 T157 L179 E193	L128-F155 HydrophobicContact CD2-CD1 4.04Å; L128-F155 HydrophobicContact CD2-CD2 3.96Å; L128-F155 HydrophobicContact CD2-CE1 4.2Å; L128-F155 HydrophobicContact CD2-CE2 4.16Å; L128-F155 HydrophobicContact CD2-CG 3.9Å; L128-F155 HydrophobicContact CD2-CZ 4.25Å; L135-F155 HydrophobicContact CD1-CB 4.1Å; I137-F155 HydrophobicContact CG2-CD1 4.33Å; I137-F155 HydrophobicContact CG2-CE1 4.26Å; L144-F155 HydrophobicContact CB-CE1 4.13Å; Q145-F155 CarbonylContact C-O 3.52Å; Q145-F155 VanDerWaalsContact CA-O 3.31Å; Q145-F155 WeakPolarHBondContact CA-O 3.29Å; G146-F155 PolarHBondContact N-O 3.01Å; G146-F155 PolarHBondContact O-N 2.98Å; D153-F155 VanDerWaalsContact OD1-O 3.07Å; F155-T157 HydrophobicContact CE1-CG2 4.34Å; F155-T157 HydrophobicContact CE2-CG2 4.14Å; F155-T157 HydrophobicContact CZ-CG2 3.57Å; F155-L179 HydrophobicContact CE1-CD2 3.93Å; F155-L179 HydrophobicContact CZ-CD2 4.31Å; F155-E193 WeakPolarHBondContact CE2-O 3.36Å
156	W	90.6	Very high	90.8	Very high	25 Å²	25	29.9 Å²	29.9	10%	0.095	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	135.6	171	-178.2	95.2	0	0	0	111.5	L144 V158 I679 I695 R699	L144-W156 VanDerWaalsContact O-CA 3.26Å; L144-W156 WeakPolarHBondContact O-CA 3.44Å; W156-V158 HydrophobicContact CH2-CB 4.41Å; W156-I679 HydrophobicContact CH2-CD1 4.43Å; W156-I695 HydrophobicContact CE3-CG2 4.43Å; W156-I695 HydrophobicContact CZ3-CG2 3.7Å; W156-R699 VanDerWaalsContact CB-NH2 3.29Å; W156-R699 HydrophobicContact CD2-CG 4.21Å; W156-R699 HydrophobicContact CE3-CB 4.21Å; W156-R699 HydrophobicContact CE3-CG 3.91Å; W156-R699 VanDerWaalsContact CG-NE 3.28Å; W156-R699 HydrophobicContact CH2-CB 3.88Å; W156-R699 HydrophobicContact CH2-CG 3.73Å; W156-R699 HydrophobicContact CZ2-CG 4.05Å; W156-R699 HydrophobicContact CZ3-CB 3.61Å; W156-R699 HydrophobicContact CZ3-CG 3.65Å
157	T	89.1	Confident	90.9	Very high	4 Å²	4	30 Å²	30	3%	0.025	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	169.3	171.6	-167.2	0	0	0	0	110.2	L144 F155 F191	L144-T157 HydrophobicContact CB-CG2 3.93Å; L144-T157 HydrophobicContact CD1-CG2 3.65Å; L144-T157 HydrophobicContact CG-CG2 4.36Å; L144-T157 PolarHBondContact N-O 3.49Å; L144-T157 PolarHBondContact O-N 2.88Å; L144-T157 VanDerWaalsContact O-N 3.16Å; F155-T157 HydrophobicContact CE1-CG2 4.34Å; F155-T157 HydrophobicContact CE2-CG2 4.14Å; F155-T157 HydrophobicContact CZ-CG2 3.57Å; T157-F191 HydrophobicContact CG2-CD1 3.82Å; T157-F191 HydrophobicContact CG2-CE1 3.66Å; T157-F191 HydrophobicContact CG2-CG 4.48Å; T157-F191 HydrophobicContact CG2-CZ 4.24Å
158	V	87.3	Confident	91	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.6	-179.7	75.1	0	0	0	0	109.2	C142 W156 N676 I679 Q680 I695	C142-V158 CarbonylContact O-C 3.6Å; C142-V158 WeakPolarHBondContact O-CA 3.47Å; C142-V158 WeakPolarHBondContact O-CG2 3.49Å; W156-V158 HydrophobicContact CH2-CB 4.41Å; V158-N676 HydrophobicContact CG2-CB 4.07Å; V158-N676 VanDerWaalsContact CG2-O 3.31Å; V158-N676 WeakPolarHBondContact CG2-O 3.22Å; V158-I679 HydrophobicContact CG1-CG2 4.19Å; V158-Q680 HydrophobicContact CG1-CB 3.95Å; V158-Q680 HydrophobicContact CG1-CG 4.32Å; V158-Q680 HydrophobicContact CG2-CB 4.07Å; V158-I695 HydrophobicContact CB-CG2 4.41Å; V158-I695 HydrophobicContact CG1-CD1 3.89Å; V158-I695 HydrophobicContact CG1-CG1 3.89Å; V158-I695 HydrophobicContact CG1-CG2 3.82Å
159	T	86	Confident	91	Very high	2 Å²	2	30 Å²	30	1%	0.012	15%	0.145	C	C	.	.			trans	-113.7	169.4	173.9	-173.2	0	0	0	0	110.4	C142 D161 V163 S183 R189	C142-T159 PolarHBondContact O-N 2.78Å; T159-D161 WeakPolarHBondContact CG2-O 3.27Å; T159-V163 HydrophobicContact CG2-CG2 3.46Å; T159-V163 VanDerWaalsContact CG2-CG2 3.46Å; T159-S183 PolarHBondContact OG1-OG 3.05Å; T159-R189 PolarHBondContact OG1-NH1 3.32Å
160	G	78.5	Confident	91.2	Very high	5 Å²	5	28.8 Å²	28.8	5%	0.052	14%	0.14	C	C	.	.	S	Bend	trans	-61.1	-47.1	-176.2	0	0	0	0	0	113.5
161	D	87.6	Confident	91.3	Very high	32 Å²	32	24.6 Å²	24.6	17%	0.171	12%	0.12	C	C	.	.	S	Bend	trans	-142.4	-172.9	-176.6	-148.5	-25.4	0	0	0	111.4	C142 T159 V163 E184 D185 K673	C142-D161 VanDerWaalsContact SG-CA 3.54Å; T159-D161 WeakPolarHBondContact CG2-O 3.27Å; D161-V163 PolarHBondContact O-N 2.8Å; D161-E184 HydrophobicContact CB-CB 4.08Å; D161-D185 HydrophobicContact CB-CB 3.98Å; D161-K673 WeakPolarHBondContact OD1-CE 3.27Å; D161-K673 IonicContact OD1-NZ 3.1Å; D161-K673 PolarHBondContact OD1-NZ 2.98Å; D161-K673 IonicContact OD2-NZ 3.68Å
162	N	91.6	Very high	91.3	Very high	26 Å²	26	27.7 Å²	27.7	14%	0.139	14%	0.136	C	C	.	.			trans	-53.2	131.3	177.4	-63.7	-18.7	0	0	0	111.2	N141 S183 E184	N141-N162 WeakPolarHBondContact CA-OD1 3.48Å; N141-N162 PolarHBondContact OD1-OD1 3.31Å; N162-S183 CarbonylContact O-C 3.55Å; N162-S183 WeakPolarHBondContact O-CA 3.07Å; N162-E184 HydrophobicContact CB-CB 4.16Å; N162-E184 WeakPolarHBondContact CB-OE2 3.4Å; N162-E184 PolarHBondContact ND2-OE2 2.97Å; N162-E184 PolarHBondContact O-N 2.94Å
163	V	94.6	Very high	91.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.8	176.9	-177.9	0	0	0	0	108.9	N121 A122 G140 L144 T159 D161 L166 V181	N121-V163 WeakPolarHBondContact CB-O 3.35Å; A122-V163 HydrophobicContact CB-CG1 4.3Å; G140-V163 PolarHBondContact O-N 2.7Å; G140-V163 VanDerWaalsContact O-N 3.08Å; L144-V163 HydrophobicContact CD2-CG1 4.32Å; L144-V163 HydrophobicContact CD2-CG2 3.83Å; L144-V163 HydrophobicContact CG-CG2 4.28Å; T159-V163 HydrophobicContact CG2-CG2 3.46Å; T159-V163 VanDerWaalsContact CG2-CG2 3.46Å; D161-V163 PolarHBondContact O-N 2.8Å; V163-L166 HydrophobicContact CG1-CD1 4.42Å; V163-L166 HydrophobicContact CG1-CD2 3.67Å; V163-L166 HydrophobicContact CG1-CG 3.84Å; V163-V181 HydrophobicContact CG1-CG1 3.94Å; V163-V181 HydrophobicContact CG2-CG1 3.94Å
164	N	94.1	Very high	91.4	Very high	51 Å²	51	24.9 Å²	24.9	27%	0.273	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-23.4	179.2	-78	-53.8	0	0	0	113.5	G182 V205 V206	N164-G182 PolarHBondContact N-O 2.88Å; N164-V205 HydrophobicContact CB-CG1 4.25Å; N164-V205 WeakPolarHBondContact ND2-CG1 3.29Å; N164-V206 VanDerWaalsContact CB-O 3.26Å; N164-V206 WeakPolarHBondContact CB-O 3.24Å
165	S	95.5	Very high	91.3	Very high	7 Å²	7	23.7 Å²	23.7	5%	0.049	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	147	177.5	52.8	0	0	0	0	111.8	G182 V206	S165-G182 PolarHBondContact N-O 2.83Å; S165-G182 PolarHBondContact O-N 2.84Å; S165-V206 PolarHBondContact OG-O 2.77Å; S165-V206 VanDerWaalsContact OG-O 3.05Å
166	L	97.1	Very high	91.4	Very high	16 Å²	16	26.6 Å²	26.6	8%	0.084	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.9	179.7	-67.8	177.4	0	0	0	109.6	A122 V124 I137 L144 V163 L179 L180 V181	A122-L166 HydrophobicContact CB-CD1 4.27Å; A122-L166 HydrophobicContact CB-CG 4.05Å; V124-L166 HydrophobicContact CB-CB 4.05Å; V124-L166 HydrophobicContact CG1-CB 3.79Å; V124-L166 HydrophobicContact CG1-CD1 4.34Å; I137-L166 HydrophobicContact CG2-CD1 4.29Å; L144-L166 HydrophobicContact CD2-CD1 4.27Å; L144-L166 HydrophobicContact CD2-CD2 3.76Å; V163-L166 HydrophobicContact CG1-CD1 4.42Å; V163-L166 HydrophobicContact CG1-CD2 3.67Å; V163-L166 HydrophobicContact CG1-CG 3.84Å; L166-L179 HydrophobicContact CB-CD1 4.45Å; L166-L179 HydrophobicContact CD2-CD1 4.17Å; L166-L179 HydrophobicContact CD2-CD2 4.38Å; L166-L179 HydrophobicContact CD2-CG 4.34Å; L166-L180 WeakPolarHBondContact CA-O 3.44Å; L166-V181 HydrophobicContact CD2-CB 4.14Å; L166-V181 HydrophobicContact CD2-CG1 4.04Å; L166-V181 HydrophobicContact CD2-CG2 3.72Å
167	A	96.8	Very high	91.5	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	148	173.5	0	0	0	0	0	110.4	L180 L209	A167-L180 HydrophobicContact CB-CB 4.24Å; A167-L180 HydrophobicContact CB-CD1 4.34Å; A167-L180 PolarHBondContact N-O 3.12Å; A167-L180 PolarHBondContact O-N 3.34Å; A167-L209 HydrophobicContact CB-CB 3.72Å
168	L	95.9	Very high	91.9	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.068	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.1	173.2	-72.1	170	0	0	0	109.5	V124 G126 L128 I137 K177 E178 L179 P211	V124-L168 HydrophobicContact CG1-CG 4.23Å; V124-L168 HydrophobicContact CG2-CD1 4.1Å; V124-L168 HydrophobicContact CG2-CG 4.02Å; G126-L168 VanDerWaalsContact CA-CD1 3.47Å; L128-L168 HydrophobicContact CD1-CD2 3.9Å; I137-L168 HydrophobicContact CD1-CD2 4.05Å; L168-K177 HydrophobicContact CB-CB 4.24Å; L168-K177 HydrophobicContact CB-CD 4.16Å; L168-E178 CarbonylContact C-O 3.5Å; L168-E178 WeakPolarHBondContact CA-O 3.17Å; L168-L179 HydrophobicContact CD2-CB 4.42Å; L168-L179 HydrophobicContact CD2-CD1 4Å; L168-P211 WeakPolarHBondContact O-CB 3.13Å; L168-P211 WeakPolarHBondContact O-CG 3.15Å
169	C	95.1	Very high	92.3	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.02	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.7	-174.7	-168.6	0	0	0	0	109.7	F171 E178 L180 P211 G214	C169-F171 PolarHBondContact O-N 3.16Å; C169-E178 PolarHBondContact N-O 2.77Å; C169-E178 WeakPolarHBondContact O-CA 3.45Å; C169-E178 PolarHBondContact O-N 3.08Å; C169-E178 VanDerWaalsContact O-O 3.13Å; C169-L180 HydrophobicContact CB-CD1 3.54Å; C169-L180 HydrophobicContact CB-CG 3.88Å; C169-P211 HydrophobicContact CB-CB 4.2Å; C169-G214 PolarHBondContact SG-O 2.93Å; C169-G214 VanDerWaalsContact SG-O 3.39Å
170	D	94.6	Very high	92.8	Very high	32 Å²	32	30.1 Å²	30.1	17%	0.171	18%	0.183	C	C	.	.			trans	-82.1	93.7	172.4	176	2.8	0	0	0	108.4	G173 D174 G175 K176 G214 S215	D170-G173 WeakPolarHBondContact OD1-CA 3.31Å; D170-G173 PolarHBondContact OD1-N 3.34Å; D170-D174 PolarHBondContact OD1-N 2.74Å; D170-G175 VanDerWaalsContact OD2-CA 3.25Å; D170-G175 WeakPolarHBondContact OD2-CA 3.23Å; D170-G175 PolarHBondContact OD2-N 2.97Å; D170-K176 WeakPolarHBondContact CB-O 3.29Å; D170-G214 CarbonylContact O-C 3.52Å; D170-G214 VanDerWaalsContact O-C 3.29Å; D170-S215 WeakPolarHBondContact O-CA 3.39Å; D170-S215 PolarHBondContact O-N 3.01Å
171	F	92.2	Very high	93.6	Very high	13 Å²	13	29.9 Å²	29.9	6%	0.057	18%	0.181	C	C	.	.	S	Bend	trans	-82.2	-37.5	-169.2	-172.6	-91.7	0	0	0	112.2	C169 E178 L180 V190 V197 A198 M200 S215 F217 K231 T232	C169-F171 PolarHBondContact O-N 3.16Å; F171-E178 WeakPolarHBondContact CB-OE2 3.37Å; F171-E178 PolarHBondContact N-OE2 3.41Å; F171-L180 HydrophobicContact CD2-CD2 4.32Å; F171-V190 HydrophobicContact CB-CG1 3.91Å; F171-V190 HydrophobicContact CD1-CG1 4.24Å; F171-V190 HydrophobicContact CD2-CG1 4.17Å; F171-V190 HydrophobicContact CD2-CG2 3.89Å; F171-V190 HydrophobicContact CE2-CG2 3.74Å; F171-V190 HydrophobicContact CG-CG1 3.86Å; F171-V190 HydrophobicContact CG-CG2 4.32Å; F171-V190 HydrophobicContact CZ-CG2 4.08Å; F171-V197 HydrophobicContact CD1-CG1 4.39Å; F171-A198 HydrophobicContact CE1-CB 3.92Å; F171-A198 HydrophobicContact CZ-CB 3.86Å; F171-M200 HydrophobicContact CE2-CE 4.27Å; F171-S215 WeakPolarHBondContact O-CB 3.46Å; F171-F217 HydrophobicContact CD2-CE1 4.35Å; F171-F217 HydrophobicContact CE2-CE1 4.13Å; F171-K231 HydrophobicContact CE1-CB 4.3Å; F171-K231 VanDerWaalsContact CE2-C 3.42Å; F171-K231 VanDerWaalsContact CE2-CA 3.41Å; F171-K231 HydrophobicContact CE2-CB 4.36Å; F171-K231 VanDerWaalsContact CE2-O 3.29Å; F171-K231 WeakPolarHBondContact CE2-O 3.32Å; F171-K231 VanDerWaalsContact CZ-CA 3.46Å; F171-K231 HydrophobicContact CZ-CB 4Å; F171-T232 HydrophobicContact CZ-CG2 3.97Å
172	D	91	Very high	94	Very high	69 Å²	69	28.4 Å²	28.4	37%	0.369	17%	0.172	S	C	.	.	S	Bend	trans	-93.4	-15.1	-178.6	71.2	4.2	0	0	0	113.7	D174 K192	D172-D174 VanDerWaalsContact OD1-CB 3.27Å; D172-D174 WeakPolarHBondContact OD1-CB 3.43Å; D172-D174 PolarHBondContact OD1-N 3.22Å; D172-K192 IonicContact OD1-NZ 2.57Å; D172-K192 IonicContact OD2-NZ 2.82Å; D172-K192 PolarHBondContact OD2-NZ 3.47Å
173	G	89.6	Confident	94	Very high	57 Å²	57	27.1 Å²	27.1	59%	0.588	17%	0.166	S	C	*	.	S	Bend	trans	84.4	20.9	178.7	0	0	0	0	0	113	D170 G175	D170-G173 WeakPolarHBondContact OD1-CA 3.31Å; D170-G173 PolarHBondContact OD1-N 3.34Å; G173-G175 PolarHBondContact O-N 2.75Å
174	D	90.8	Very high	93.8	Very high	69 Å²	69	30.7 Å²	30.7	37%	0.369	18%	0.182	S	C	.	.	S	Bend	trans	-81.3	-1.3	178.2	83	-8.7	0	0	0	113.6	D170 D172 K176 K192	D170-D174 PolarHBondContact OD1-N 2.74Å; D172-D174 VanDerWaalsContact OD1-CB 3.27Å; D172-D174 WeakPolarHBondContact OD1-CB 3.43Å; D172-D174 PolarHBondContact OD1-N 3.22Å; D174-K176 VanDerWaalsContact C-N 3.29Å; D174-K176 WeakPolarHBondContact OD1-CA 3.47Å; D174-K176 WeakPolarHBondContact OD1-CB 3.19Å; D174-K176 PolarHBondContact OD1-N 3.19Å; D174-K192 VanDerWaalsContact CG-NZ 3.33Å; D174-K192 IonicContact OD1-NZ 2.64Å; D174-K192 IonicContact OD2-NZ 2.83Å; D174-K192 PolarHBondContact OD2-NZ 3.16Å
175	G	89.5	Confident	93.5	Very high	64 Å²	64	29.4 Å²	29.4	66%	0.66	18%	0.176	S	C	*	.	S	Bend	trans	84.7	-1.6	-179.2	0	0	0	0	0	113.9	D170 G173	D170-G175 VanDerWaalsContact OD2-CA 3.25Å; D170-G175 WeakPolarHBondContact OD2-CA 3.23Å; D170-G175 PolarHBondContact OD2-N 2.97Å; G173-G175 PolarHBondContact O-N 2.75Å
176	K	92.1	Very high	93.3	Very high	67 Å²	67	31.7 Å²	31.7	29%	0.291	19%	0.185	S	C	.	.	S	Bend	trans	-103.7	145.7	171.7	-53	174	-169.3	168	0	108.3	D130 D170 D174	D130-K176 WeakPolarHBondContact OD1-CE 3.39Å; D130-K176 IonicContact OD1-NZ 2.78Å; D130-K176 PolarHBondContact OD1-NZ 3.39Å; D130-K176 IonicContact OD2-NZ 2.71Å; D130-K176 PolarHBondContact OD2-NZ 2.95Å; D170-K176 WeakPolarHBondContact CB-O 3.29Å; D174-K176 VanDerWaalsContact C-N 3.29Å; D174-K176 WeakPolarHBondContact OD1-CA 3.47Å; D174-K176 WeakPolarHBondContact OD1-CB 3.19Å; D174-K176 PolarHBondContact OD1-N 3.19Å
177	K	93.7	Very high	93.1	Very high	106 Å²	106	31.5 Å²	31.5	46%	0.461	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-90.9	127.7	-178.3	-63.6	179.2	-177.7	179.7	0	109.8	G129 L168	G129-K177 PolarHBondContact N-O 2.88Å; L168-K177 HydrophobicContact CB-CB 4.24Å; L168-K177 HydrophobicContact CB-CD 4.16Å
178	E	95.4	Very high	93	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	163	163.6	-69.1	80.6	-158.3	0	0	111.8	L168 C169 F171 V190 F191 K192	L168-E178 CarbonylContact C-O 3.5Å; L168-E178 WeakPolarHBondContact CA-O 3.17Å; C169-E178 PolarHBondContact N-O 2.77Å; C169-E178 WeakPolarHBondContact O-CA 3.45Å; C169-E178 PolarHBondContact O-N 3.08Å; C169-E178 VanDerWaalsContact O-O 3.13Å; F171-E178 WeakPolarHBondContact CB-OE2 3.37Å; F171-E178 PolarHBondContact N-OE2 3.41Å; E178-V190 HydrophobicContact CB-CG1 3.74Å; E178-V190 HydrophobicContact CG-CG1 4.21Å; E178-F191 WeakPolarHBondContact CB-O 3.34Å; E178-K192 HydrophobicContact CG-CB 3.7Å; E178-K192 HydrophobicContact CG-CD 4.41Å; E178-K192 HydrophobicContact CG-CG 3.99Å; E178-K192 IonicContact OE1-NZ 2.83Å; E178-K192 PolarHBondContact OE1-NZ 3.43Å
179	L	96.3	Very high	92.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.6	175.9	-176.7	70.6	0	0	0	110.6	V124 L128 I137 L144 F155 L166 L168 V181 F191	V124-L179 HydrophobicContact CG1-CD1 3.78Å; L128-L179 HydrophobicContact CD1-CB 3.76Å; I137-L179 HydrophobicContact CD1-CD1 4.07Å; I137-L179 HydrophobicContact CG2-CD1 4.11Å; I137-L179 HydrophobicContact CG2-CD2 3.77Å; L144-L179 HydrophobicContact CD1-CD2 4.25Å; L144-L179 HydrophobicContact CD2-CD2 4.42Å; F155-L179 HydrophobicContact CE1-CD2 3.93Å; F155-L179 HydrophobicContact CZ-CD2 4.31Å; L166-L179 HydrophobicContact CB-CD1 4.45Å; L166-L179 HydrophobicContact CD2-CD1 4.17Å; L166-L179 HydrophobicContact CD2-CD2 4.38Å; L166-L179 HydrophobicContact CD2-CG 4.34Å; L168-L179 HydrophobicContact CD2-CB 4.42Å; L168-L179 HydrophobicContact CD2-CD1 4Å; L179-V181 HydrophobicContact CD2-CG2 3.8Å; L179-V181 HydrophobicContact CG-CG2 3.79Å; L179-F191 HydrophobicContact CB-CB 4.27Å; L179-F191 PolarHBondContact N-O 2.93Å; L179-F191 PolarHBondContact O-N 2.81Å
180	L	96.6	Very high	92.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128	167.8	-55.9	178.2	0	0	0	109.6	L166 A167 C169 F171 R189 V190 L209 F217	L166-L180 WeakPolarHBondContact CA-O 3.44Å; A167-L180 HydrophobicContact CB-CB 4.24Å; A167-L180 HydrophobicContact CB-CD1 4.34Å; A167-L180 PolarHBondContact N-O 3.12Å; A167-L180 PolarHBondContact O-N 3.34Å; C169-L180 HydrophobicContact CB-CD1 3.54Å; C169-L180 HydrophobicContact CB-CG 3.88Å; F171-L180 HydrophobicContact CD2-CD2 4.32Å; L180-R189 CarbonylContact C-O 3.55Å; L180-R189 WeakPolarHBondContact CA-O 3.44Å; L180-V190 HydrophobicContact CD2-CB 4.19Å; L180-V190 HydrophobicContact CD2-CG1 3.99Å; L180-V190 HydrophobicContact CD2-CG2 3.55Å; L180-L209 HydrophobicContact CB-CD1 4.04Å; L180-F217 HydrophobicContact CD1-CB 3.78Å; L180-F217 HydrophobicContact CD1-CD1 3.67Å; L180-F217 HydrophobicContact CD1-CD2 3.73Å; L180-F217 HydrophobicContact CD1-CE1 4.17Å; L180-F217 HydrophobicContact CD1-CE2 4.22Å; L180-F217 HydrophobicContact CD1-CG 3.43Å; L180-F217 VanDerWaalsContact CD1-CG 3.43Å; L180-F217 HydrophobicContact CD1-CZ 4.42Å; L180-F217 HydrophobicContact CD2-CE1 4.45Å
181	V	96.5	Very high	92.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.1	-175.6	-176.5	0	0	0	0	109.6	L144 V163 L166 L179 I188 R189 F191	L144-V181 HydrophobicContact CD1-CB 4.49Å; L144-V181 HydrophobicContact CD1-CG1 4.1Å; L144-V181 HydrophobicContact CD1-CG2 3.65Å; L144-V181 HydrophobicContact CD2-CG1 4.3Å; L144-V181 HydrophobicContact CD2-CG2 4.31Å; V163-V181 HydrophobicContact CG1-CG1 3.94Å; V163-V181 HydrophobicContact CG2-CG1 3.94Å; L166-V181 HydrophobicContact CD2-CB 4.14Å; L166-V181 HydrophobicContact CD2-CG1 4.04Å; L166-V181 HydrophobicContact CD2-CG2 3.72Å; L179-V181 HydrophobicContact CD2-CG2 3.8Å; L179-V181 HydrophobicContact CG-CG2 3.79Å; V181-I188 WeakPolarHBondContact O-CA 3.44Å; V181-R189 PolarHBondContact N-O 3.19Å; V181-R189 PolarHBondContact O-N 3.12Å; V181-F191 HydrophobicContact CB-CD2 4.14Å; V181-F191 HydrophobicContact CB-CE2 4.02Å; V181-F191 HydrophobicContact CG2-CD2 3.46Å; V181-F191 VanDerWaalsContact CG2-CD2 3.46Å; V181-F191 HydrophobicContact CG2-CE2 3.74Å
182	G	95.8	Very high	92.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.4	172.4	0	0	0	0	0	110.8	N164 S165	N164-G182 PolarHBondContact N-O 2.88Å; S165-G182 PolarHBondContact N-O 2.83Å; S165-G182 PolarHBondContact O-N 2.84Å
183	S	90.9	Very high	92.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	161.6	-174.8	-60.2	0	0	0	0	112.2	T159 N162 D185 F186 D187 R189	T159-S183 PolarHBondContact OG1-OG 3.05Å; N162-S183 CarbonylContact O-C 3.55Å; N162-S183 WeakPolarHBondContact O-CA 3.07Å; S183-D185 WeakPolarHBondContact CB-OD1 3.46Å; S183-D185 PolarHBondContact O-N 3.23Å; S183-F186 PolarHBondContact O-N 2.88Å; S183-D187 PolarHBondContact N-O 3.26Å; S183-R189 PolarHBondContact OG-NH1 3.16Å
184	E	91.1	Very high	91.4	Very high	75 Å²	75	31.2 Å²	31.2	35%	0.35	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-17.2	177.9	-164.3	174.1	176.3	0	0	113.3	D161 N162 F186 V205	D161-E184 HydrophobicContact CB-CB 4.08Å; N162-E184 HydrophobicContact CB-CB 4.16Å; N162-E184 WeakPolarHBondContact CB-OE2 3.4Å; N162-E184 PolarHBondContact ND2-OE2 2.97Å; N162-E184 PolarHBondContact O-N 2.94Å; E184-F186 WeakPolarHBondContact O-CD1 3.5Å; E184-F186 WeakPolarHBondContact O-CE1 3.36Å; E184-F186 PolarHBondContact O-N 3.49Å; E184-V205 HydrophobicContact CG-CG1 4.49Å; E184-V205 HydrophobicContact CG-CG2 3.92Å
185	D	87.8	Confident	90.9	Very high	24 Å²	24	32.1 Å²	32.1	13%	0.128	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	2.8	173.8	60.6	4	0	0	0	114.6	D161 S183 D187 R189 K449	D161-D185 HydrophobicContact CB-CB 3.98Å; S183-D185 WeakPolarHBondContact CB-OD1 3.46Å; S183-D185 PolarHBondContact O-N 3.23Å; D185-D187 VanDerWaalsContact C-N 3.35Å; D185-D187 PolarHBondContact OD1-N 3.03Å; D185-D187 VanDerWaalsContact OD1-N 3.1Å; D185-R189 IonicContact OD1-NH1 3.55Å; D185-R189 PolarHBondContact OD1-NH1 2.81Å; D185-R189 IonicContact OD1-NH2 2.71Å; D185-R189 IonicContact OD2-CZ 2.72Å; D185-R189 IonicContact OD2-NH1 3.71Å; D185-R189 PolarHBondContact OD2-NH1 2.72Å; D185-R189 IonicContact OD2-NH2 3.86Å; D185-R189 PolarHBondContact OD2-NH2 2.72Å; D185-K449 PolarHBondContact O-NZ 2.66Å
186	F	91.3	Very high	90.7	Very high	55 Å²	55	30.8 Å²	30.8	24%	0.241	14%	0.144	C	C	.	.	S	Bend	trans	80.3	8	-179	-39.9	-28.6	0	0	0	114.2	S183 E184 E202 E204 V205	S183-F186 PolarHBondContact O-N 2.88Å; E184-F186 WeakPolarHBondContact O-CD1 3.5Å; E184-F186 WeakPolarHBondContact O-CE1 3.36Å; E184-F186 PolarHBondContact O-N 3.49Å; F186-E202 VanDerWaalsContact CB-O 3.29Å; F186-E202 WeakPolarHBondContact CB-O 3.36Å; F186-E202 WeakPolarHBondContact O-CA 3.23Å; F186-E202 VanDerWaalsContact O-CB 3.27Å; F186-E202 WeakPolarHBondContact O-CB 3.48Å; F186-E202 PolarHBondContact O-N 3.13Å; F186-E204 VanDerWaalsContact CD1-CA 3.45Å; F186-E204 HydrophobicContact CE1-CG 4.43Å; F186-V205 HydrophobicContact CD1-CG2 4.12Å; F186-V205 HydrophobicContact CE1-CG2 3.83Å
187	D	91.1	Very high	90.4	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.059	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	142.1	179	-63.3	-43.6	0	0	0	112.2	S183 D185 R189 E199 T201	S183-D187 PolarHBondContact N-O 3.26Å; D185-D187 VanDerWaalsContact C-N 3.35Å; D185-D187 PolarHBondContact OD1-N 3.03Å; D185-D187 VanDerWaalsContact OD1-N 3.1Å; D187-R189 HydrophobicContact CB-CG 4.44Å; D187-R189 IonicContact OD2-CZ 3.85Å; D187-R189 IonicContact OD2-NH2 3.46Å; D187-R189 PolarHBondContact OD2-NH2 2.84Å; D187-E199 HydrophobicContact CB-CG 4.22Å; D187-T201 WeakPolarHBondContact OD1-CA 3.36Å; D187-T201 WeakPolarHBondContact OD1-CB 3.4Å; D187-T201 WeakPolarHBondContact OD1-CG2 3.32Å; D187-T201 PolarHBondContact OD1-OG1 2.77Å
188	I	95.4	Very high	90.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.7	164	-56.4	173.1	0	0	0	107.1	V181 E199 M200 E202 V206 L209 F217 Y219 Y229	V181-I188 WeakPolarHBondContact O-CA 3.44Å; I188-E199 WeakPolarHBondContact O-CA 3.48Å; I188-M200 HydrophobicContact CB-CB 4.44Å; I188-M200 HydrophobicContact CB-CE 4.13Å; I188-M200 HydrophobicContact CG2-CE 3.79Å; I188-M200 PolarHBondContact N-O 2.97Å; I188-M200 PolarHBondContact O-N 2.95Å; I188-E202 HydrophobicContact CD1-CG 3.88Å; I188-E202 HydrophobicContact CG1-CG 4.25Å; I188-V206 HydrophobicContact CD1-CG1 4.27Å; I188-V206 HydrophobicContact CD1-CG2 4.22Å; I188-V206 HydrophobicContact CG1-CB 4.4Å; I188-V206 HydrophobicContact CG1-CG1 4.07Å; I188-V206 HydrophobicContact CG1-CG2 3.59Å; I188-L209 HydrophobicContact CD1-CD2 4.11Å; I188-L209 HydrophobicContact CG2-CD1 4.43Å; I188-L209 HydrophobicContact CG2-CD2 4.35Å; I188-F217 HydrophobicContact CD1-CE2 4.34Å; I188-F217 HydrophobicContact CG2-CE2 4.3Å; I188-F217 HydrophobicContact CG2-CZ 4.5Å; I188-Y219 HydrophobicContact CD1-CD2 4.36Å; I188-Y219 HydrophobicContact CD1-CG 4.25Å; I188-Y229 HydrophobicContact CD1-CE2 4.35Å
189	R	93.8	Very high	89.8	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.015	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.9	-180	-65.2	-179.9	-178.1	99.6	6.1	110.9	T159 L180 V181 S183 D185 D187 F191 A198 E199	T159-R189 PolarHBondContact OG1-NH1 3.32Å; L180-R189 CarbonylContact C-O 3.55Å; L180-R189 WeakPolarHBondContact CA-O 3.44Å; V181-R189 PolarHBondContact N-O 3.19Å; V181-R189 PolarHBondContact O-N 3.12Å; S183-R189 PolarHBondContact OG-NH1 3.16Å; D185-R189 IonicContact OD1-NH1 3.55Å; D185-R189 PolarHBondContact OD1-NH1 2.81Å; D185-R189 IonicContact OD1-NH2 2.71Å; D185-R189 IonicContact OD2-CZ 2.72Å; D185-R189 IonicContact OD2-NH1 3.71Å; D185-R189 PolarHBondContact OD2-NH1 2.72Å; D185-R189 IonicContact OD2-NH2 3.86Å; D185-R189 PolarHBondContact OD2-NH2 2.72Å; D187-R189 HydrophobicContact CB-CG 4.44Å; D187-R189 IonicContact OD2-CZ 3.85Å; D187-R189 IonicContact OD2-NH2 3.46Å; D187-R189 PolarHBondContact OD2-NH2 2.84Å; R189-F191 HydrophobicContact CB-CD2 4.18Å; R189-F191 HydrophobicContact CB-CE2 3.68Å; R189-F191 HydrophobicContact CB-CZ 4.45Å; R189-A198 WeakPolarHBondContact CA-O 3.41Å; R189-E199 HydrophobicContact CG-CB 4.45Å; R189-E199 HydrophobicContact CG-CG 4.09Å; R189-E199 IonicContact CZ-OE1 2.76Å; R189-E199 IonicContact NE-OE1 2.63Å; R189-E199 PolarHBondContact NE-OE1 3.14Å; R189-E199 IonicContact NH2-OE1 3.31Å; R189-E199 PolarHBondContact NH2-OE1 3.39Å
190	V	94.4	Very high	89.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.7	177	-170.7	0	0	0	0	108.5	F171 E178 L180 I196 V197 A198 M200	F171-V190 HydrophobicContact CB-CG1 3.91Å; F171-V190 HydrophobicContact CD1-CG1 4.24Å; F171-V190 HydrophobicContact CD2-CG1 4.17Å; F171-V190 HydrophobicContact CD2-CG2 3.89Å; F171-V190 HydrophobicContact CE2-CG2 3.74Å; F171-V190 HydrophobicContact CG-CG1 3.86Å; F171-V190 HydrophobicContact CG-CG2 4.32Å; F171-V190 HydrophobicContact CZ-CG2 4.08Å; E178-V190 HydrophobicContact CB-CG1 3.74Å; E178-V190 HydrophobicContact CG-CG1 4.21Å; L180-V190 HydrophobicContact CD2-CB 4.19Å; L180-V190 HydrophobicContact CD2-CG1 3.99Å; L180-V190 HydrophobicContact CD2-CG2 3.55Å; V190-I196 CarbonylContact O-C 3.57Å; V190-I196 WeakPolarHBondContact O-CA 3.27Å; V190-V197 HydrophobicContact CB-CB 4.39Å; V190-V197 HydrophobicContact CG1-CB 4.36Å; V190-V197 PolarHBondContact O-N 2.84Å; V190-A198 HydrophobicContact CB-CB 4.29Å; V190-A198 HydrophobicContact CG2-CB 3.97Å; V190-A198 PolarHBondContact N-O 3.16Å; V190-M200 HydrophobicContact CG2-CE 3.99Å; V190-M200 HydrophobicContact CG2-SD 4.32Å
191	F	91.6	Very high	89.1	Confident	1 Å²	1	33.6 Å²	33.6	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.7	177.7	-71.9	-93.3	0	0	0	110.4	L144 T157 E178 L179 V181 R189 E195 I196	L144-F191 HydrophobicContact CD1-CD2 4.3Å; L144-F191 HydrophobicContact CD1-CE2 4.04Å; L144-F191 HydrophobicContact CD1-CZ 4.34Å; T157-F191 HydrophobicContact CG2-CD1 3.82Å; T157-F191 HydrophobicContact CG2-CE1 3.66Å; T157-F191 HydrophobicContact CG2-CG 4.48Å; T157-F191 HydrophobicContact CG2-CZ 4.24Å; E178-F191 WeakPolarHBondContact CB-O 3.34Å; L179-F191 HydrophobicContact CB-CB 4.27Å; L179-F191 PolarHBondContact N-O 2.93Å; L179-F191 PolarHBondContact O-N 2.81Å; V181-F191 HydrophobicContact CB-CD2 4.14Å; V181-F191 HydrophobicContact CB-CE2 4.02Å; V181-F191 HydrophobicContact CG2-CD2 3.46Å; V181-F191 VanDerWaalsContact CG2-CD2 3.46Å; V181-F191 HydrophobicContact CG2-CE2 3.74Å; R189-F191 HydrophobicContact CB-CD2 4.18Å; R189-F191 HydrophobicContact CB-CE2 3.68Å; R189-F191 HydrophobicContact CB-CZ 4.45Å; F191-E195 CarbonylContact C-O 3.54Å; F191-E195 VanDerWaalsContact CA-O 3.3Å; F191-E195 WeakPolarHBondContact CA-O 3.39Å; F191-I196 HydrophobicContact CD1-CD1 4.44Å; F191-I196 HydrophobicContact CD1-CG1 3.56Å; F191-I196 HydrophobicContact CE1-CD1 3.62Å; F191-I196 HydrophobicContact CE1-CG1 3.21Å; F191-I196 HydrophobicContact CE2-CG1 4.46Å; F191-I196 HydrophobicContact CG-CG1 4.34Å; F191-I196 HydrophobicContact CZ-CD1 3.87Å; F191-I196 HydrophobicContact CZ-CG1 3.73Å
192	K	87.9	Confident	88.9	Confident	47 Å²	47	34 Å²	34	20%	0.204	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	94	166.7	-172.6	170.1	-167.6	115.4	0	107.6	D172 D174 E178 D194 E195 V197	D172-K192 IonicContact OD1-NZ 2.57Å; D172-K192 IonicContact OD2-NZ 2.82Å; D172-K192 PolarHBondContact OD2-NZ 3.47Å; D174-K192 VanDerWaalsContact CG-NZ 3.33Å; D174-K192 IonicContact OD1-NZ 2.64Å; D174-K192 IonicContact OD2-NZ 2.83Å; D174-K192 PolarHBondContact OD2-NZ 3.16Å; E178-K192 HydrophobicContact CG-CB 3.7Å; E178-K192 HydrophobicContact CG-CD 4.41Å; E178-K192 HydrophobicContact CG-CG 3.99Å; E178-K192 IonicContact OE1-NZ 2.83Å; E178-K192 PolarHBondContact OE1-NZ 3.43Å; K192-D194 PolarHBondContact O-N 3.2Å; K192-D194 VanDerWaalsContact O-N 3.08Å; K192-E195 PolarHBondContact N-O 2.96Å; K192-E195 PolarHBondContact O-N 3.38Å; K192-V197 HydrophobicContact CB-CG2 3.46Å; K192-V197 VanDerWaalsContact CB-CG2 3.46Å; K192-V197 HydrophobicContact CD-CG2 4.3Å
193	E	82.6	Confident	88.4	Confident	57 Å²	57	34.9 Å²	34.9	27%	0.266	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-115.8	-169.2	-54.5	178.6	169.2	0	0	109.7	D130 F155 E195	D130-E193 WeakPolarHBondContact CB-OE1 3.31Å; D130-E193 PolarHBondContact N-OE1 3.03Å; F155-E193 WeakPolarHBondContact CE2-O 3.36Å; E193-E195 VanDerWaalsContact C-N 3.35Å
194	D	75	Confident	88.4	Confident	74 Å²	74	38 Å²	38	40%	0.396	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.9	-177.4	-62.2	-17.1	0	0	0	113.4	K192 N692	K192-D194 PolarHBondContact O-N 3.2Å; K192-D194 VanDerWaalsContact O-N 3.08Å; D194-N692 PolarHBondContact O-ND2 2.97Å; D194-N692 PolarHBondContact O-OD1 3.05Å; D194-N692 VanDerWaalsContact O-OD1 3.12Å
195	E	80.6	Confident	88.4	Confident	88 Å²	88	35.7 Å²	35.7	41%	0.411	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.9	-174.1	-171.7	173.1	178.4	0	0	113.6	F191 K192 E193 N692	F191-E195 CarbonylContact C-O 3.54Å; F191-E195 VanDerWaalsContact CA-O 3.3Å; F191-E195 WeakPolarHBondContact CA-O 3.39Å; K192-E195 PolarHBondContact N-O 2.96Å; K192-E195 PolarHBondContact O-N 3.38Å; E193-E195 VanDerWaalsContact C-N 3.35Å; E195-N692 WeakPolarHBondContact CA-ND2 3.48Å
196	I	83.9	Confident	88.8	Confident	36 Å²	36	34.6 Å²	34.6	19%	0.185	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	114.7	172.5	-65.3	163.3	0	0	0	108.8	V190 F191 K691	V190-I196 CarbonylContact O-C 3.57Å; V190-I196 WeakPolarHBondContact O-CA 3.27Å; F191-I196 HydrophobicContact CD1-CD1 4.44Å; F191-I196 HydrophobicContact CD1-CG1 3.56Å; F191-I196 HydrophobicContact CE1-CD1 3.62Å; F191-I196 HydrophobicContact CE1-CG1 3.21Å; F191-I196 HydrophobicContact CE2-CG1 4.46Å; F191-I196 HydrophobicContact CG-CG1 4.34Å; F191-I196 HydrophobicContact CZ-CD1 3.87Å; F191-I196 HydrophobicContact CZ-CG1 3.73Å; I196-K691 HydrophobicContact CD1-CD 4.5Å; I196-K691 VanDerWaalsContact CD1-NZ 3.27Å
197	V	86.4	Confident	88.9	Confident	66 Å²	66	32.8 Å²	32.8	40%	0.4	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-43.6	-178.6	178.9	0	0	0	0	111.6	F171 V190 K192	F171-V197 HydrophobicContact CD1-CG1 4.39Å; V190-V197 HydrophobicContact CB-CB 4.39Å; V190-V197 HydrophobicContact CG1-CB 4.36Å; V190-V197 PolarHBondContact O-N 2.84Å; K192-V197 HydrophobicContact CB-CG2 3.46Å; K192-V197 VanDerWaalsContact CB-CG2 3.46Å; K192-V197 HydrophobicContact CD-CG2 4.3Å
198	A	86.7	Confident	89.1	Confident	13 Å²	13	33 Å²	33	11%	0.107	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.1	-175.9	0	0	0	0	0	111.6	F171 R189 V190 M200 T232	F171-A198 HydrophobicContact CE1-CB 3.92Å; F171-A198 HydrophobicContact CZ-CB 3.86Å; R189-A198 WeakPolarHBondContact CA-O 3.41Å; V190-A198 HydrophobicContact CB-CB 4.29Å; V190-A198 HydrophobicContact CG2-CB 3.97Å; V190-A198 PolarHBondContact N-O 3.16Å; A198-M200 HydrophobicContact CB-SD 4.03Å; A198-T232 HydrophobicContact CB-CG2 4.11Å
199	E	89.4	Confident	89.2	Confident	76 Å²	76	33.8 Å²	33.8	36%	0.355	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126.7	176.1	-178.7	166.2	-148.2	0	0	108.8	D187 I188 R189	D187-E199 HydrophobicContact CB-CG 4.22Å; I188-E199 WeakPolarHBondContact O-CA 3.48Å; R189-E199 HydrophobicContact CG-CB 4.45Å; R189-E199 HydrophobicContact CG-CG 4.09Å; R189-E199 IonicContact CZ-OE1 2.76Å; R189-E199 IonicContact NE-OE1 2.63Å; R189-E199 PolarHBondContact NE-OE1 3.14Å; R189-E199 IonicContact NH2-OE1 3.31Å; R189-E199 PolarHBondContact NH2-OE1 3.39Å
200	M	91.1	Very high	89.3	Confident	11 Å²	11	34 Å²	34	5%	0.054	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.3	178.4	-60.6	80.2	74.6	0	0	108.8	F171 I188 V190 A198 F217 Y229 T232	F171-M200 HydrophobicContact CE2-CE 4.27Å; I188-M200 HydrophobicContact CB-CB 4.44Å; I188-M200 HydrophobicContact CB-CE 4.13Å; I188-M200 HydrophobicContact CG2-CE 3.79Å; I188-M200 PolarHBondContact N-O 2.97Å; I188-M200 PolarHBondContact O-N 2.95Å; V190-M200 HydrophobicContact CG2-CE 3.99Å; V190-M200 HydrophobicContact CG2-SD 4.32Å; A198-M200 HydrophobicContact CB-SD 4.03Å; M200-F217 HydrophobicContact CE-CE1 4.26Å; M200-F217 HydrophobicContact CE-CZ 3.58Å; M200-Y229 HydrophobicContact CG-CE1 4.46Å; M200-T232 HydrophobicContact SD-CG2 4.35Å
201	T	88.8	Confident	89.4	Confident	68 Å²	68	36.5 Å²	36.5	42%	0.417	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	121	178.7	-55.8	0	0	0	0	110.9	D187 V451	D187-T201 WeakPolarHBondContact OD1-CA 3.36Å; D187-T201 WeakPolarHBondContact OD1-CB 3.4Å; D187-T201 WeakPolarHBondContact OD1-CG2 3.32Å; D187-T201 PolarHBondContact OD1-OG1 2.77Å; T201-V451 HydrophobicContact CG2-CG1 4.14Å; T201-V451 HydrophobicContact CG2-CG2 4.32Å
202	E	90.6	Very high	89.5	Confident	7 Å²	7	37 Å²	37	3%	0.033	20%	0.199	C	C	.	.			trans	-98.9	178.7	172.1	-69.9	-60.9	138.1	0	0	111.7	F186 I188 Y219 L221 Y229 R234	F186-E202 VanDerWaalsContact CB-O 3.29Å; F186-E202 WeakPolarHBondContact CB-O 3.36Å; F186-E202 WeakPolarHBondContact O-CA 3.23Å; F186-E202 VanDerWaalsContact O-CB 3.27Å; F186-E202 WeakPolarHBondContact O-CB 3.48Å; F186-E202 PolarHBondContact O-N 3.13Å; I188-E202 HydrophobicContact CD1-CG 3.88Å; I188-E202 HydrophobicContact CG1-CG 4.25Å; E202-Y219 VanDerWaalsContact CD-CE2 3.46Å; E202-Y219 HydrophobicContact CG-CD2 4.37Å; E202-Y219 HydrophobicContact CG-CE2 4.11Å; E202-Y219 WeakPolarHBondContact OE2-CE2 3.31Å; E202-Y219 PolarHBondContact OE2-OH 3.01Å; E202-L221 HydrophobicContact CB-CD1 4.04Å; E202-L221 HydrophobicContact CB-CD2 3.98Å; E202-L221 HydrophobicContact CG-CD1 4.5Å; E202-L221 HydrophobicContact CG-CD2 4.13Å; E202-Y229 WeakPolarHBondContact OE1-CE2 3.22Å; E202-Y229 PolarHBondContact OE1-OH 3.4Å; E202-R234 IonicContact OE1-CZ 2.68Å; E202-R234 IonicContact OE1-NE 2.76Å; E202-R234 IonicContact OE1-NH2 3.96Å; E202-R234 PolarHBondContact OE1-NH2 2.92Å; E202-R234 IonicContact OE2-CZ 3.12Å; E202-R234 IonicContact OE2-NH2 3.07Å; E202-R234 PolarHBondContact OE2-NH2 3.32Å
203	T	86.3	Confident	89.6	Confident	20 Å²	20	38.8 Å²	38.8	12%	0.123	21%	0.205	C	C	.	.	S	Bend	trans	-89.9	-17.2	-173.3	63	0	0	0	0	113.4	L221 N223 E420	T203-L221 WeakPolarHBondContact OG1-CD1 3.41Å; T203-N223 PolarHBondContact OG1-ND2 3.18Å; T203-E420 HydrophobicContact CG2-CB 3.47Å; T203-E420 VanDerWaalsContact CG2-CB 3.47Å; T203-E420 HydrophobicContact CG2-CG 4.04Å; T203-E420 WeakPolarHBondContact CG2-OE2 3.47Å
204	E	90.2	Very high	89.9	Confident	65 Å²	65	38.7 Å²	38.7	30%	0.304	22%	0.219	S	C	.	.	S	Bend	trans	-159.3	180	-176.1	-134.9	166.8	117.4	0	0	111.7	F186 V206 L221 S222 N223	F186-E204 VanDerWaalsContact CD1-CA 3.45Å; F186-E204 HydrophobicContact CE1-CG 4.43Å; E204-V206 PolarHBondContact O-N 3.48Å; E204-L221 HydrophobicContact CB-CB 4.41Å; E204-S222 VanDerWaalsContact CD-OG 3.23Å; E204-S222 WeakPolarHBondContact CG-OG 3.38Å; E204-S222 PolarHBondContact OE1-OG 2.92Å; E204-N223 PolarHBondContact OE1-N 2.76Å; E204-N223 WeakPolarHBondContact OE2-CB 3.11Å; E204-N223 VanDerWaalsContact OE2-CG 3.3Å; E204-N223 PolarHBondContact OE2-ND2 3.11Å
205	V	92.1	Very high	90.8	Very high	27 Å²	27	36.2 Å²	36.2	16%	0.164	21%	0.207	C	C	.	.			trans	-58.8	128.2	-175.5	-179.7	0	0	0	0	110.6	N164 E184 F186 T207 L221 S222	N164-V205 HydrophobicContact CB-CG1 4.25Å; N164-V205 WeakPolarHBondContact ND2-CG1 3.29Å; E184-V205 HydrophobicContact CG-CG1 4.49Å; E184-V205 HydrophobicContact CG-CG2 3.92Å; F186-V205 HydrophobicContact CD1-CG2 4.12Å; F186-V205 HydrophobicContact CE1-CG2 3.83Å; V205-T207 HydrophobicContact CG1-CG2 4.42Å; V205-T207 VanDerWaalsContact O-CG2 3.3Å; V205-T207 WeakPolarHBondContact O-CG2 3.36Å; V205-T207 PolarHBondContact O-N 3.12Å; V205-L221 WeakPolarHBondContact O-CA 3.37Å; V205-S222 PolarHBondContact O-N 3.37Å
206	V	95.3	Very high	91.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	104.1	179	-173.1	0	0	0	0	108.9	N164 S165 I188 E204 L209 L221	N164-V206 VanDerWaalsContact CB-O 3.26Å; N164-V206 WeakPolarHBondContact CB-O 3.24Å; S165-V206 PolarHBondContact OG-O 2.77Å; S165-V206 VanDerWaalsContact OG-O 3.05Å; I188-V206 HydrophobicContact CD1-CG1 4.27Å; I188-V206 HydrophobicContact CD1-CG2 4.22Å; I188-V206 HydrophobicContact CG1-CB 4.4Å; I188-V206 HydrophobicContact CG1-CG1 4.07Å; I188-V206 HydrophobicContact CG1-CG2 3.59Å; E204-V206 PolarHBondContact O-N 3.48Å; V206-L209 HydrophobicContact CG1-CD1 4.31Å; V206-L209 HydrophobicContact CG1-CD2 3.94Å; V206-L209 HydrophobicContact CG1-CG 3.91Å; V206-L221 HydrophobicContact CB-CD2 4.32Å; V206-L221 HydrophobicContact CG2-CD2 3.88Å
207	T	94.6	Very high	92.1	Very high	18 Å²	18	31.8 Å²	31.8	11%	0.11	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-28.3	-169.6	74.4	0	0	0	0	112.3	R17 V205 A220	R17-T207 VanDerWaalsContact CZ-O 3.27Å; R17-T207 VanDerWaalsContact NH1-CB 3.29Å; R17-T207 PolarHBondContact NH1-O 2.68Å; R17-T207 PolarHBondContact NH2-OG1 3.33Å; V205-T207 HydrophobicContact CG1-CG2 4.42Å; V205-T207 VanDerWaalsContact O-CG2 3.3Å; V205-T207 WeakPolarHBondContact O-CG2 3.36Å; V205-T207 PolarHBondContact O-N 3.12Å; T207-A220 PolarHBondContact N-O 3.07Å; T207-A220 PolarHBondContact OG1-O 2.76Å
208	S	95.6	Very high	92.6	Very high	15 Å²	15	28.6 Å²	28.6	11%	0.105	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	143.9	175.5	-59.8	0	0	0	0	110.8	R17 Y219 A220	R17-S208 PolarHBondContact NH2-OG 3.26Å; S208-Y219 CarbonylContact O-C 3.52Å; S208-Y219 WeakPolarHBondContact O-CA 3.36Å; S208-A220 PolarHBondContact N-O 2.89Å; S208-A220 PolarHBondContact O-N 3.35Å
209	L	97.2	Very high	93.1	Very high	16 Å²	16	28 Å²	28	8%	0.084	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.6	174.7	-70.4	167.7	0	0	0	107.8	A167 L180 I188 V206 F217 G218	A167-L209 HydrophobicContact CB-CB 3.72Å; L180-L209 HydrophobicContact CB-CD1 4.04Å; I188-L209 HydrophobicContact CD1-CD2 4.11Å; I188-L209 HydrophobicContact CG2-CD1 4.43Å; I188-L209 HydrophobicContact CG2-CD2 4.35Å; V206-L209 HydrophobicContact CG1-CD1 4.31Å; V206-L209 HydrophobicContact CG1-CD2 3.94Å; V206-L209 HydrophobicContact CG1-CG 3.91Å; L209-F217 HydrophobicContact CD2-CD2 4.02Å; L209-F217 HydrophobicContact CD2-CE2 4.11Å; L209-G218 WeakPolarHBondContact CA-O 3.25Å
210	C	96	Very high	93.5	Very high	8 Å²	8	24.4 Å²	24.4	5%	0.054	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	122.1	175.8	-175.8	0	0	0	0	110	F217 G218 I247 A249	C210-F217 CarbonylContact O-C 3.58Å; C210-F217 VanDerWaalsContact O-CA 3.27Å; C210-F217 WeakPolarHBondContact O-CA 3.33Å; C210-F217 WeakPolarHBondContact O-CB 3.48Å; C210-G218 PolarHBondContact N-O 3.17Å; C210-G218 PolarHBondContact O-N 3.3Å; C210-I247 HydrophobicContact CB-CD1 4.2Å; C210-I247 HydrophobicContact CB-CG1 4.09Å; C210-A249 PolarHBondContact SG-N 3.04Å
211	P	96.1	Very high	93.7	Very high	53 Å²	53	23.9 Å²	23.9	34%	0.344	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	143.6	171.1	32.5	-32.6	0	0	0	109.1	L168 C169 A249	L168-P211 WeakPolarHBondContact O-CB 3.13Å; L168-P211 WeakPolarHBondContact O-CG 3.15Å; C169-P211 HydrophobicContact CB-CB 4.2Å; P211-A249 WeakPolarHBondContact O-CB 3.47Å
212	M	92.8	Very high	93.8	Very high	13 Å²	13	22.2 Å²	22.2	6%	0.064	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-69.4	179	-60.8	-174	70.4	0	0	111	R216 V228 A249 N258 L260 D274	M212-R216 HydrophobicContact CB-CB 4.38Å; M212-R216 PolarHBondContact N-O 3.46Å; M212-V228 HydrophobicContact SD-CG1 4.09Å; M212-V228 HydrophobicContact SD-CG2 3.94Å; M212-A249 HydrophobicContact CB-CB 4.1Å; M212-A249 HydrophobicContact CG-CB 3.78Å; M212-N258 WeakPolarHBondContact CE-O 3.41Å; M212-N258 PolarHBondContact O-ND2 3Å; M212-L260 HydrophobicContact CE-CB 4.13Å; M212-L260 HydrophobicContact SD-CB 4.46Å; M212-L260 HydrophobicContact SD-CD1 4.49Å; M212-D274 HydrophobicContact CE-CB 3.67Å; M212-D274 HydrophobicContact SD-CB 4.33Å
213	Y	89.6	Confident	93.7	Very high	84 Å²	84	23.1 Å²	23.1	33%	0.329	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	145.6	175.6	62	-91.5	0	0	0	109.5	S215 R216 V257 D274	Y213-S215 PolarHBondContact O-N 2.96Å; Y213-R216 WeakPolarHBondContact O-CB 3.34Å; Y213-R216 PolarHBondContact O-N 3.05Å; Y213-R216 VanDerWaalsContact OH-CZ 3.28Å; Y213-R216 PolarHBondContact OH-NH1 2.94Å; Y213-V257 HydrophobicContact CD1-CG1 4.46Å; Y213-V257 HydrophobicContact CE1-CG1 3.65Å; Y213-D274 WeakPolarHBondContact CE1-OD2 3.19Å; Y213-D274 PolarHBondContact OH-OD2 2.96Å
214	G	90.2	Very high	94	Very high	54 Å²	54	22.1 Å²	22.1	56%	0.557	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	-127.8	-173.5	0	0	0	0	0	111.4	C169 D170 R216	C169-G214 PolarHBondContact SG-O 2.93Å; C169-G214 VanDerWaalsContact SG-O 3.39Å; D170-G214 CarbonylContact O-C 3.52Å; D170-G214 VanDerWaalsContact O-C 3.29Å; G214-R216 VanDerWaalsContact C-N 3.34Å
215	S	93.3	Very high	94.2	Very high	22 Å²	22	19.3 Å²	19.3	15%	0.154	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	4	178.3	52.9	0	0	0	0	115.3	D170 F171 Y213 D230 K231	D170-S215 WeakPolarHBondContact O-CA 3.39Å; D170-S215 PolarHBondContact O-N 3.01Å; F171-S215 WeakPolarHBondContact O-CB 3.46Å; Y213-S215 PolarHBondContact O-N 2.96Å; S215-D230 PolarHBondContact OG-OD1 2.97Å; S215-K231 PolarHBondContact O-N 2.94Å
216	R	95.3	Very high	94.4	Very high	31 Å²	31	18 Å²	18	12%	0.117	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	135.3	-178.7	-66.6	-166.5	-175.7	-177.4	5.1	112.2	M212 Y213 G214 Y229 D230 Y235 D274	M212-R216 HydrophobicContact CB-CB 4.38Å; M212-R216 PolarHBondContact N-O 3.46Å; Y213-R216 WeakPolarHBondContact O-CB 3.34Å; Y213-R216 PolarHBondContact O-N 3.05Å; Y213-R216 VanDerWaalsContact OH-CZ 3.28Å; Y213-R216 PolarHBondContact OH-NH1 2.94Å; G214-R216 VanDerWaalsContact C-N 3.34Å; R216-Y229 VanDerWaalsContact CA-O 3.25Å; R216-Y229 WeakPolarHBondContact CA-O 3.22Å; R216-D230 HydrophobicContact CG-CB 3.85Å; R216-D230 IonicContact NE-OD2 3.26Å; R216-D230 PolarHBondContact NE-OD2 3.12Å; R216-D230 IonicContact NH2-OD2 2.78Å; R216-Y235 VanDerWaalsContact NH2-CZ 3.34Å; R216-Y235 PolarHBondContact NH2-OH 3.43Å; R216-D274 IonicContact CZ-OD2 2.86Å; R216-D274 IonicContact NH1-OD2 3.78Å; R216-D274 PolarHBondContact NH1-OD2 3.49Å
217	F	96.8	Very high	94.4	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.4	175.8	64.8	-86.2	0	0	0	111.3	F171 L180 I188 M200 L209 C210 Y229	F171-F217 HydrophobicContact CD2-CE1 4.35Å; F171-F217 HydrophobicContact CE2-CE1 4.13Å; L180-F217 HydrophobicContact CD1-CB 3.78Å; L180-F217 HydrophobicContact CD1-CD1 3.67Å; L180-F217 HydrophobicContact CD1-CD2 3.73Å; L180-F217 HydrophobicContact CD1-CE1 4.17Å; L180-F217 HydrophobicContact CD1-CE2 4.22Å; L180-F217 HydrophobicContact CD1-CG 3.43Å; L180-F217 VanDerWaalsContact CD1-CG 3.43Å; L180-F217 HydrophobicContact CD1-CZ 4.42Å; L180-F217 HydrophobicContact CD2-CE1 4.45Å; I188-F217 HydrophobicContact CD1-CE2 4.34Å; I188-F217 HydrophobicContact CG2-CE2 4.3Å; I188-F217 HydrophobicContact CG2-CZ 4.5Å; M200-F217 HydrophobicContact CE-CE1 4.26Å; M200-F217 HydrophobicContact CE-CZ 3.58Å; L209-F217 HydrophobicContact CD2-CD2 4.02Å; L209-F217 HydrophobicContact CD2-CE2 4.11Å; C210-F217 CarbonylContact O-C 3.58Å; C210-F217 VanDerWaalsContact O-CA 3.27Å; C210-F217 WeakPolarHBondContact O-CA 3.33Å; C210-F217 WeakPolarHBondContact O-CB 3.48Å; F217-Y229 VanDerWaalsContact CE1-CB 3.47Å; F217-Y229 HydrophobicContact CE1-CG 4.32Å; F217-Y229 AromaticContact CE2-CD2 3.86Å; F217-Y229 HydrophobicContact CE2-CD2 3.86Å; F217-Y229 HydrophobicContact CE2-CG 4.12Å; F217-Y229 AromaticContact CZ-CD2 3.87Å; F217-Y229 HydrophobicContact CZ-CD2 3.87Å; F217-Y229 AromaticContact CZ-CG 3.72Å; F217-Y229 HydrophobicContact CZ-CG 3.72Å; F217-Y229 PolarHBondContact N-O 3.41Å; F217-Y229 PolarHBondContact O-N 3.1Å
218	G	97.1	Very high	94.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	147	171	0	0	0	0	0	111	L209 C210 G227 I247	L209-G218 WeakPolarHBondContact CA-O 3.25Å; C210-G218 PolarHBondContact N-O 3.17Å; C210-G218 PolarHBondContact O-N 3.3Å; G218-G227 WeakPolarHBondContact CA-O 3.33Å; G218-I247 WeakPolarHBondContact O-CD1 3.46Å
219	Y	97.4	Very high	94.6	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151	175.3	76.1	-80.8	0	0	0	111.2	I188 E202 S208 L221 V226 G227 Y229 R234	I188-Y219 HydrophobicContact CD1-CD2 4.36Å; I188-Y219 HydrophobicContact CD1-CG 4.25Å; E202-Y219 VanDerWaalsContact CD-CE2 3.46Å; E202-Y219 HydrophobicContact CG-CD2 4.37Å; E202-Y219 HydrophobicContact CG-CE2 4.11Å; E202-Y219 WeakPolarHBondContact OE2-CE2 3.31Å; E202-Y219 PolarHBondContact OE2-OH 3.01Å; S208-Y219 CarbonylContact O-C 3.52Å; S208-Y219 WeakPolarHBondContact O-CA 3.36Å; Y219-L221 HydrophobicContact CD2-CD2 3.85Å; Y219-L221 HydrophobicContact CD2-CG 4.06Å; Y219-L221 HydrophobicContact CE2-CD1 4.15Å; Y219-L221 HydrophobicContact CE2-CD2 4.1Å; Y219-L221 HydrophobicContact CE2-CG 3.95Å; Y219-V226 WeakPolarHBondContact O-CA 3.46Å; Y219-G227 VanDerWaalsContact CD1-C 3.44Å; Y219-G227 VanDerWaalsContact CD1-O 3.24Å; Y219-G227 WeakPolarHBondContact CD1-O 3.12Å; Y219-G227 VanDerWaalsContact CE1-C 3.42Å; Y219-G227 VanDerWaalsContact CE1-CA 3.47Å; Y219-G227 PolarHBondContact N-O 3.48Å; Y219-G227 PolarHBondContact O-N 3.36Å; Y219-Y229 AromaticContact CD1-CD2 3.49Å; Y219-Y229 HydrophobicContact CD1-CD2 3.49Å; Y219-Y229 VanDerWaalsContact CD1-CD2 3.49Å; Y219-Y229 AromaticContact CD1-CE2 3.78Å; Y219-Y229 HydrophobicContact CD1-CE2 3.78Å; Y219-Y229 AromaticContact CE1-CD2 3.56Å; Y219-Y229 HydrophobicContact CE1-CD2 3.56Å; Y219-Y229 AromaticContact CE1-CE2 3.5Å; Y219-Y229 HydrophobicContact CE1-CE2 3.5Å; Y219-Y229 VanDerWaalsContact CE1-CE2 3.5Å; Y219-Y229 HydrophobicContact CG-CD2 4.3Å; Y219-Y229 HydrophobicContact CG-CE2 4.4Å; Y219-Y229 AromaticContact CZ-CE2 3.91Å; Y219-R234 HydrophobicContact CE1-CG 4.46Å; Y219-R234 WeakPolarHBondContact OH-CD 3.47Å; Y219-R234 PolarHBondContact OH-NE 2.94Å
220	A	96.6	Very high	94.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.2	178	0	0	0	0	0	111.8	T207 S208 T225 V226 A244 I247	T207-A220 PolarHBondContact N-O 3.07Å; T207-A220 PolarHBondContact OG1-O 2.76Å; S208-A220 PolarHBondContact N-O 2.89Å; S208-A220 PolarHBondContact O-N 3.35Å; A220-T225 CarbonylContact C-O 3.55Å; A220-T225 WeakPolarHBondContact CA-O 3.46Å; A220-V226 HydrophobicContact CB-CG2 4.24Å; A220-A244 HydrophobicContact CB-CB 3.89Å; A220-I247 HydrophobicContact CB-CD1 4.1Å; A220-I247 HydrophobicContact CB-CG2 4.04Å
221	L	95.1	Very high	94.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	160.4	-177.8	-52.9	-174.7	0	0	0	112.6	E202 T203 E204 V205 V206 Y219 N223 G224 T225	E202-L221 HydrophobicContact CB-CD1 4.04Å; E202-L221 HydrophobicContact CB-CD2 3.98Å; E202-L221 HydrophobicContact CG-CD1 4.5Å; E202-L221 HydrophobicContact CG-CD2 4.13Å; T203-L221 WeakPolarHBondContact OG1-CD1 3.41Å; E204-L221 HydrophobicContact CB-CB 4.41Å; V205-L221 WeakPolarHBondContact O-CA 3.37Å; V206-L221 HydrophobicContact CB-CD2 4.32Å; V206-L221 HydrophobicContact CG2-CD2 3.88Å; Y219-L221 HydrophobicContact CD2-CD2 3.85Å; Y219-L221 HydrophobicContact CD2-CG 4.06Å; Y219-L221 HydrophobicContact CE2-CD1 4.15Å; Y219-L221 HydrophobicContact CE2-CD2 4.1Å; Y219-L221 HydrophobicContact CE2-CG 3.95Å; L221-N223 WeakPolarHBondContact CB-OD1 3.3Å; L221-N223 PolarHBondContact O-N 3.36Å; L221-G224 PolarHBondContact O-N 3Å; L221-G224 VanDerWaalsContact O-N 3.1Å; L221-T225 HydrophobicContact CD1-CG2 4.2Å; L221-T225 PolarHBondContact N-O 2.72Å
222	S	91.9	Very high	94	Very high	34 Å²	34	23.8 Å²	23.8	24%	0.238	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.2	178.6	53.2	0	0	0	0	113.7	E204 V205 G224 H243	E204-S222 VanDerWaalsContact CD-OG 3.23Å; E204-S222 WeakPolarHBondContact CG-OG 3.38Å; E204-S222 PolarHBondContact OE1-OG 2.92Å; V205-S222 PolarHBondContact O-N 3.37Å; S222-G224 PolarHBondContact O-N 2.83Å; S222-H243 PolarHBondContact O-CE1 3.34Å; S222-H243 PolarHBondContact O-ND1 3.37Å
223	N	89.5	Confident	94	Very high	25 Å²	25	25.7 Å²	25.7	13%	0.134	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	6.2	173.7	51.3	34.4	0	0	0	115.3	T203 E204 L221 T225	T203-N223 PolarHBondContact OG1-ND2 3.18Å; E204-N223 PolarHBondContact OE1-N 2.76Å; E204-N223 WeakPolarHBondContact OE2-CB 3.11Å; E204-N223 VanDerWaalsContact OE2-CG 3.3Å; E204-N223 PolarHBondContact OE2-ND2 3.11Å; L221-N223 WeakPolarHBondContact CB-OD1 3.3Å; L221-N223 PolarHBondContact O-N 3.36Å; N223-T225 VanDerWaalsContact C-N 3.34Å; N223-T225 WeakPolarHBondContact OD1-CB 3.33Å; N223-T225 PolarHBondContact OD1-N 3.15Å; N223-T225 PolarHBondContact OD1-OG1 3.2Å
224	G	91.4	Very high	94.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	80.3	16.7	-176.4	0	0	0	0	0	113.8	L221 S222 S240 N242	L221-G224 PolarHBondContact O-N 3Å; L221-G224 VanDerWaalsContact O-N 3.1Å; S222-G224 PolarHBondContact O-N 2.83Å; G224-S240 PolarHBondContact O-N 2.54Å; G224-N242 WeakPolarHBondContact CA-O 3.11Å
225	T	94.1	Very high	94.3	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.4	166.4	-58	0	0	0	0	110.2	A220 L221 N223 R237 I238	A220-T225 CarbonylContact C-O 3.55Å; A220-T225 WeakPolarHBondContact CA-O 3.46Å; L221-T225 HydrophobicContact CD1-CG2 4.2Å; L221-T225 PolarHBondContact N-O 2.72Å; N223-T225 VanDerWaalsContact C-N 3.34Å; N223-T225 WeakPolarHBondContact OD1-CB 3.33Å; N223-T225 PolarHBondContact OD1-N 3.15Å; N223-T225 PolarHBondContact OD1-OG1 3.2Å; T225-R237 HydrophobicContact CG2-CB 4.23Å; T225-I238 CarbonylContact C-O 3.59Å; T225-I238 WeakPolarHBondContact CA-O 3.26Å; T225-I238 WeakPolarHBondContact CG2-O 3.37Å
226	V	96.8	Very high	94.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.2	172.1	179.2	0	0	0	0	107.7	Y219 A220 W236 R237 I238 A244 I247 L260 T262 W264	Y219-V226 WeakPolarHBondContact O-CA 3.46Å; A220-V226 HydrophobicContact CB-CG2 4.24Å; V226-W236 HydrophobicContact CG1-CH2 4.41Å; V226-R237 CarbonylContact O-C 3.6Å; V226-R237 VanDerWaalsContact O-CA 3.3Å; V226-R237 WeakPolarHBondContact O-CA 3.47Å; V226-I238 HydrophobicContact CB-CG1 4.22Å; V226-I238 PolarHBondContact N-O 3.27Å; V226-I238 PolarHBondContact O-N 3Å; V226-A244 HydrophobicContact CG2-CB 3.55Å; V226-I247 HydrophobicContact CG1-CG2 4.45Å; V226-L260 HydrophobicContact CG1-CD2 3.59Å; V226-T262 HydrophobicContact CG2-CG2 4.11Å; V226-W264 HydrophobicContact CG2-CH2 3.86Å; V226-W264 HydrophobicContact CG2-CZ2 4.32Å; V226-W264 HydrophobicContact CG2-CZ3 4.41Å
227	G	96	Very high	94.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	179	178.5	0	0	0	0	0	112.9	G218 Y219 W236	G218-G227 WeakPolarHBondContact CA-O 3.33Å; Y219-G227 VanDerWaalsContact CD1-C 3.44Å; Y219-G227 VanDerWaalsContact CD1-O 3.24Å; Y219-G227 WeakPolarHBondContact CD1-O 3.12Å; Y219-G227 VanDerWaalsContact CE1-C 3.42Å; Y219-G227 VanDerWaalsContact CE1-CA 3.47Å; Y219-G227 PolarHBondContact N-O 3.48Å; Y219-G227 PolarHBondContact O-N 3.36Å; G227-W236 WeakPolarHBondContact CA-O 3.39Å
228	V	96.9	Very high	94.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.3	178.6	175.7	0	0	0	0	109.4	M212 Y235 W236 L260	M212-V228 HydrophobicContact SD-CG1 4.09Å; M212-V228 HydrophobicContact SD-CG2 3.94Å; V228-Y235 PolarHBondContact O-N 2.81Å; V228-W236 HydrophobicContact CB-CZ2 4.4Å; V228-W236 HydrophobicContact CG2-CH2 4.38Å; V228-W236 HydrophobicContact CG2-CZ2 3.48Å; V228-W236 VanDerWaalsContact CG2-CZ2 3.48Å; V228-W236 PolarHBondContact N-O 2.81Å; V228-W236 VanDerWaalsContact N-O 3.09Å; V228-L260 HydrophobicContact CG2-CD2 3.93Å
229	Y	96.4	Very high	93.9	Very high	12 Å²	12	37.8 Å²	37.8	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	150.9	169.5	-89.3	-75.9	0	0	0	110.9	I188 M200 E202 R216 F217 Y219 A233 R234	I188-Y229 HydrophobicContact CD1-CE2 4.35Å; M200-Y229 HydrophobicContact CG-CE1 4.46Å; E202-Y229 WeakPolarHBondContact OE1-CE2 3.22Å; E202-Y229 PolarHBondContact OE1-OH 3.4Å; R216-Y229 VanDerWaalsContact CA-O 3.25Å; R216-Y229 WeakPolarHBondContact CA-O 3.22Å; F217-Y229 VanDerWaalsContact CE1-CB 3.47Å; F217-Y229 HydrophobicContact CE1-CG 4.32Å; F217-Y229 AromaticContact CE2-CD2 3.86Å; F217-Y229 HydrophobicContact CE2-CD2 3.86Å; F217-Y229 HydrophobicContact CE2-CG 4.12Å; F217-Y229 AromaticContact CZ-CD2 3.87Å; F217-Y229 HydrophobicContact CZ-CD2 3.87Å; F217-Y229 AromaticContact CZ-CG 3.72Å; F217-Y229 HydrophobicContact CZ-CG 3.72Å; F217-Y229 PolarHBondContact N-O 3.41Å; F217-Y229 PolarHBondContact O-N 3.1Å; Y219-Y229 AromaticContact CD1-CD2 3.49Å; Y219-Y229 HydrophobicContact CD1-CD2 3.49Å; Y219-Y229 VanDerWaalsContact CD1-CD2 3.49Å; Y219-Y229 AromaticContact CD1-CE2 3.78Å; Y219-Y229 HydrophobicContact CD1-CE2 3.78Å; Y219-Y229 AromaticContact CE1-CD2 3.56Å; Y219-Y229 HydrophobicContact CE1-CD2 3.56Å; Y219-Y229 AromaticContact CE1-CE2 3.5Å; Y219-Y229 HydrophobicContact CE1-CE2 3.5Å; Y219-Y229 VanDerWaalsContact CE1-CE2 3.5Å; Y219-Y229 HydrophobicContact CG-CD2 4.3Å; Y219-Y229 HydrophobicContact CG-CE2 4.4Å; Y219-Y229 AromaticContact CZ-CE2 3.91Å; Y229-A233 VanDerWaalsContact CD1-C 3.46Å; Y229-A233 WeakPolarHBondContact CD1-O 3.21Å; Y229-R234 HydrophobicContact CD1-CB 4.11Å; Y229-R234 HydrophobicContact CE1-CB 3.63Å; Y229-R234 HydrophobicContact CE1-CG 4.29Å; Y229-R234 PolarHBondContact OH-NE 3.43Å; Y229-R234 VanDerWaalsContact OH-NE 3.14Å; Y229-R234 PolarHBondContact OH-NH2 3.35Å
230	D	94.1	Very high	93.5	Very high	31 Å²	31	39.6 Å²	39.6	17%	0.166	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	112.4	161	-171.1	5.7	0	0	0	107.2	S215 R216 T232 A233 Y235	S215-D230 PolarHBondContact OG-OD1 2.97Å; R216-D230 HydrophobicContact CG-CB 3.85Å; R216-D230 IonicContact NE-OD2 3.26Å; R216-D230 PolarHBondContact NE-OD2 3.12Å; R216-D230 IonicContact NH2-OD2 2.78Å; D230-T232 PolarHBondContact O-N 3.02Å; D230-A233 PolarHBondContact N-O 3.46Å; D230-A233 PolarHBondContact O-N 2.9Å; D230-Y235 HydrophobicContact CB-CD2 3.7Å; D230-Y235 HydrophobicContact CB-CE2 3.2Å; D230-Y235 PolarHBondContact OD2-OH 3.49Å
231	K	91.7	Very high	93.2	Very high	97 Å²	97	49.2 Å²	49.2	42%	0.422	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	-121.9	-167.1	-56.6	-174.5	173.7	-169	0	110.3	F171 S215	F171-K231 HydrophobicContact CE1-CB 4.3Å; F171-K231 VanDerWaalsContact CE2-C 3.42Å; F171-K231 VanDerWaalsContact CE2-CA 3.41Å; F171-K231 HydrophobicContact CE2-CB 4.36Å; F171-K231 VanDerWaalsContact CE2-O 3.29Å; F171-K231 WeakPolarHBondContact CE2-O 3.32Å; F171-K231 VanDerWaalsContact CZ-CA 3.46Å; F171-K231 HydrophobicContact CZ-CB 4Å; S215-K231 PolarHBondContact O-N 2.94Å
232	T	92.1	Very high	93	Very high	91 Å²	91	51.5 Å²	51.5	56%	0.558	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-5.9	178.2	54.9	0	0	0	0	113.6	F171 A198 M200 D230	F171-T232 HydrophobicContact CZ-CG2 3.97Å; A198-T232 HydrophobicContact CB-CG2 4.11Å; M200-T232 HydrophobicContact SD-CG2 4.35Å; D230-T232 PolarHBondContact O-N 3.02Å
233	A	91.8	Very high	93.1	Very high	53 Å²	53	54.3 Å²	54.3	44%	0.438	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.4	-175.7	0	0	0	0	0	111.4	Y229 D230	Y229-A233 VanDerWaalsContact CD1-C 3.46Å; Y229-A233 WeakPolarHBondContact CD1-O 3.21Å; D230-A233 PolarHBondContact N-O 3.46Å; D230-A233 PolarHBondContact O-N 2.9Å
234	R	93.6	Very high	93.3	Very high	80 Å²	80	53.2 Å²	53.2	30%	0.302	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.1	175.5	-166.2	-176.4	-62.7	163	-6.3	109.9	E202 Y219 Y229	E202-R234 IonicContact OE1-CZ 2.68Å; E202-R234 IonicContact OE1-NE 2.76Å; E202-R234 IonicContact OE1-NH2 3.96Å; E202-R234 PolarHBondContact OE1-NH2 2.92Å; E202-R234 IonicContact OE2-CZ 3.12Å; E202-R234 IonicContact OE2-NH2 3.07Å; E202-R234 PolarHBondContact OE2-NH2 3.32Å; Y219-R234 HydrophobicContact CE1-CG 4.46Å; Y219-R234 WeakPolarHBondContact OH-CD 3.47Å; Y219-R234 PolarHBondContact OH-NE 2.94Å; Y229-R234 HydrophobicContact CD1-CB 4.11Å; Y229-R234 HydrophobicContact CE1-CB 3.63Å; Y229-R234 HydrophobicContact CE1-CG 4.29Å; Y229-R234 PolarHBondContact OH-NE 3.43Å; Y229-R234 VanDerWaalsContact OH-NE 3.14Å; Y229-R234 PolarHBondContact OH-NH2 3.35Å
235	Y	93.3	Very high	93.5	Very high	102 Å²	102	55.1 Å²	55.1	40%	0.4	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-51.7	179.8	-91.5	-126.8	0	0	0	111.5	R216 V228 D230	R216-Y235 VanDerWaalsContact NH2-CZ 3.34Å; R216-Y235 PolarHBondContact NH2-OH 3.43Å; V228-Y235 PolarHBondContact O-N 2.81Å; D230-Y235 HydrophobicContact CB-CD2 3.7Å; D230-Y235 HydrophobicContact CB-CE2 3.2Å; D230-Y235 PolarHBondContact OD2-OH 3.49Å
236	W	95.1	Very high	93.6	Very high	21 Å²	21	55.3 Å²	55.3	8%	0.08	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	159.5	176.1	62.6	-92.9	0	0	0	110	V226 G227 V228 I238 L260 R272 S273 D274	V226-W236 HydrophobicContact CG1-CH2 4.41Å; G227-W236 WeakPolarHBondContact CA-O 3.39Å; V228-W236 HydrophobicContact CB-CZ2 4.4Å; V228-W236 HydrophobicContact CG2-CH2 4.38Å; V228-W236 HydrophobicContact CG2-CZ2 3.48Å; V228-W236 VanDerWaalsContact CG2-CZ2 3.48Å; V228-W236 PolarHBondContact N-O 2.81Å; V228-W236 VanDerWaalsContact N-O 3.09Å; W236-I238 HydrophobicContact CE3-CG2 4.02Å; W236-I238 HydrophobicContact CZ3-CD1 4.31Å; W236-I238 HydrophobicContact CZ3-CG1 4.15Å; W236-I238 HydrophobicContact CZ3-CG2 4.01Å; W236-L260 HydrophobicContact CH2-CD2 4Å; W236-L260 HydrophobicContact CZ2-CD2 4.16Å; W236-R272 HydrophobicContact CH2-CB 4.08Å; W236-R272 HydrophobicContact CZ2-CB 4.17Å; W236-S273 PolarHBondContact NE1-O 2.87Å; W236-S273 VanDerWaalsContact NE1-O 3.17Å; W236-D274 PolarHBondContact NE1-O 3.42Å
237	R	93.9	Very high	93.6	Very high	96 Å²	96	56 Å²	56	36%	0.362	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	151.2	167.3	60.3	172.3	-179.9	177.3	8.2	109.5	T225 V226 E420	T225-R237 HydrophobicContact CG2-CB 4.23Å; V226-R237 CarbonylContact O-C 3.6Å; V226-R237 VanDerWaalsContact O-CA 3.3Å; V226-R237 WeakPolarHBondContact O-CA 3.47Å; R237-E420 IonicContact CZ-OE1 3.17Å; R237-E420 IonicContact CZ-OE2 2.83Å; R237-E420 IonicContact NH1-OE1 2.87Å; R237-E420 PolarHBondContact NH1-OE1 2.94Å; R237-E420 IonicContact NH1-OE2 3.89Å; R237-E420 PolarHBondContact NH1-OE2 2.91Å; R237-E420 IonicContact NH2-OE1 2.71Å; R237-E420 PolarHBondContact NH2-OE1 2.71Å; R237-E420 IonicContact NH2-OE2 3.79Å; R237-E420 PolarHBondContact NH2-OE2 3.46Å
238	I	93.4	Very high	93.6	Very high	41 Å²	41	57.9 Å²	57.9	21%	0.21	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155.2	169.2	68.2	-177.9	0	0	0	108.2	T225 V226 W236 W264	T225-I238 CarbonylContact C-O 3.59Å; T225-I238 WeakPolarHBondContact CA-O 3.26Å; T225-I238 WeakPolarHBondContact CG2-O 3.37Å; V226-I238 HydrophobicContact CB-CG1 4.22Å; V226-I238 PolarHBondContact N-O 3.27Å; V226-I238 PolarHBondContact O-N 3Å; W236-I238 HydrophobicContact CE3-CG2 4.02Å; W236-I238 HydrophobicContact CZ3-CD1 4.31Å; W236-I238 HydrophobicContact CZ3-CG1 4.15Å; W236-I238 HydrophobicContact CZ3-CG2 4.01Å; I238-W264 HydrophobicContact CD1-CH2 4.19Å; I238-W264 HydrophobicContact CD1-CZ2 4.06Å
239	K	90.9	Very high	93.6	Very high	105 Å²	105	58.2 Å²	58.2	46%	0.457	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.9	170.3	-171	179	-179	-169.7	0	109.3	E426	K239-E426 IonicContact NZ-OE2 2.79Å; K239-E426 PolarHBondContact NZ-OE2 2.76Å
240	S	90.1	Very high	93.5	Very high	37 Å²	37	58 Å²	58	26%	0.259	28%	0.279	S	S	.	.			trans	-117	162.8	174.6	-157.1	0	0	0	0	111.1	G224 N242	G224-S240 PolarHBondContact O-N 2.54Å; S240-N242 PolarHBondContact O-N 3.33Å
241	K	88.7	Confident	93.5	Very high	202 Å²	202	58 Å²	58	88%	0.878	28%	0.279	S	S	*	.	S	Bend	trans	-69.8	-24.9	172.5	-65.8	-175.3	178	-177.3	0	112.7
242	N	92.6	Very high	93.4	Very high	49 Å²	49	53.6 Å²	53.6	26%	0.262	26%	0.26	S	S	.	.	S	Bend	trans	-96.7	152.6	-179.3	-60.4	-44.2	0	0	0	109.6	G224 S240 W264 S265 N266	G224-N242 WeakPolarHBondContact CA-O 3.11Å; S240-N242 PolarHBondContact O-N 3.33Å; N242-W264 HydrophobicContact CB-CE3 4.11Å; N242-W264 WeakPolarHBondContact O-CZ3 3.5Å; N242-S265 WeakPolarHBondContact CB-OG 3.35Å; N242-N266 PolarHBondContact ND2-ND2 2.98Å
243	H	92.1	Very high	93.2	Very high	92 Å²	92	50.8 Å²	50.8	43%	0.426	24%	0.242	S	C	.	.			trans	-86.4	143.6	179.8	-51.7	-61.8	0	0	0	110.5	S222 M245 W264 S265	S222-H243 PolarHBondContact O-CE1 3.34Å; S222-H243 PolarHBondContact O-ND1 3.37Å; H243-M245 PolarHBondContact O-N 3.27Å; H243-W264 CarbonylContact O-C 3.5Å; H243-W264 WeakPolarHBondContact O-CA 3.28Å; H243-S265 PolarHBondContact N-OG 2.98Å; H243-S265 PolarHBondContact O-N 3.44Å
244	A	94.9	Very high	92.9	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.017	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	113.6	170	0	0	0	0	0	108.9	R17 A220 V226 I247 T262	R17-A244 PolarHBondContact NH2-O 3.35Å; A220-A244 HydrophobicContact CB-CB 3.89Å; V226-A244 HydrophobicContact CG2-CB 3.55Å; A244-I247 HydrophobicContact CB-CG2 4.5Å; A244-T262 HydrophobicContact CB-CG2 3.71Å
245	M	94.9	Very high	92.5	Very high	40 Å²	40	50.7 Å²	50.7	20%	0.197	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-38.1	-176.9	-63.8	-57.6	-74.1	0	0	111.5	P16 R17 H243 G263 I289	P16-M245 HydrophobicContact CB-CE 3.55Å; P16-M245 HydrophobicContact CG-CE 3.6Å; R17-M245 VanDerWaalsContact CG-O 3.23Å; R17-M245 WeakPolarHBondContact CG-O 3.48Å; R17-M245 PolarHBondContact NE-O 3.39Å; R17-M245 PolarHBondContact NH2-O 3.48Å; H243-M245 PolarHBondContact O-N 3.27Å; M245-G263 PolarHBondContact N-O 3.39Å; M245-I289 WeakPolarHBondContact CB-O 3.45Å; M245-I289 WeakPolarHBondContact CG-O 3.04Å
246	S	95.6	Very high	92.2	Very high	11 Å²	11	49 Å²	49	8%	0.077	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	144.7	176.3	60.5	0	0	0	0	110.3	G263 V292	S246-G263 PolarHBondContact O-N 2.49Å; S246-V292 PolarHBondContact OG-N 3.32Å
247	I	97.1	Very high	92	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.7	170	56.9	172	0	0	0	109.3	C210 G218 A220 V226 A244 L260 I261 T262	C210-I247 HydrophobicContact CB-CD1 4.2Å; C210-I247 HydrophobicContact CB-CG1 4.09Å; G218-I247 WeakPolarHBondContact O-CD1 3.46Å; A220-I247 HydrophobicContact CB-CD1 4.1Å; A220-I247 HydrophobicContact CB-CG2 4.04Å; V226-I247 HydrophobicContact CG1-CG2 4.45Å; A244-I247 HydrophobicContact CB-CG2 4.5Å; I247-L260 HydrophobicContact CB-CD1 4.13Å; I247-L260 HydrophobicContact CD1-CD1 4.46Å; I247-I261 CarbonylContact C-O 3.53Å; I247-I261 VanDerWaalsContact CA-O 3.28Å; I247-I261 WeakPolarHBondContact CA-O 3.21Å; I247-T262 HydrophobicContact CG2-CG2 3.99Å
248	H	97.2	Very high	91.9	Very high	40 Å²	40	47.5 Å²	47.5	19%	0.185	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	145.1	177	-167	63	0	0	0	110.1	I261 V292 E294	H248-I261 PolarHBondContact N-O 3.06Å; H248-I261 WeakPolarHBondContact O-CA 3.3Å; H248-I261 WeakPolarHBondContact O-CB 3.35Å; H248-I261 PolarHBondContact O-N 3.05Å; H248-V292 HydrophobicContact CB-CB 4.3Å; H248-V292 HydrophobicContact CB-CG1 4.03Å; H248-E294 VanDerWaalsContact NE2-CG 3.29Å; H248-E294 WeakPolarHBondContact NE2-CG 3.48Å; H248-E294 IonicContact NE2-OE1 3.35Å; H248-E294 IonicContact NE2-OE2 3.8Å
249	A	96.4	Very high	92	Very high	7 Å²	7	45.7 Å²	45.7	6%	0.058	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.7	177.9	0	0	0	0	0	109.2	C210 P211 M212 N258 E259	C210-A249 PolarHBondContact SG-N 3.04Å; P211-A249 WeakPolarHBondContact O-CB 3.47Å; M212-A249 HydrophobicContact CB-CB 4.1Å; M212-A249 HydrophobicContact CG-CB 3.78Å; A249-N258 HydrophobicContact CB-CB 4.16Å; A249-E259 CarbonylContact C-O 3.44Å; A249-E259 VanDerWaalsContact CA-O 3.29Å; A249-E259 WeakPolarHBondContact CA-O 3.4Å
250	F	95.2	Very high	92.2	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.035	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	132.7	180	-175.7	-101.2	0	0	0	109.9	L252 E259 I261 E294 M303 L305 P319	F250-L252 HydrophobicContact CD1-CB 4.14Å; F250-L252 HydrophobicContact CD1-CD1 4.07Å; F250-L252 HydrophobicContact CE1-CD1 3.94Å; F250-L252 PolarHBondContact O-N 3.04Å; F250-E259 PolarHBondContact N-O 3.49Å; F250-E259 PolarHBondContact O-N 2.84Å; F250-I261 HydrophobicContact CB-CD1 4.48Å; F250-I261 HydrophobicContact CB-CG1 3.87Å; F250-E294 HydrophobicContact CD2-CB 3.97Å; F250-E294 WeakPolarHBondContact CD2-OE2 3.33Å; F250-E294 HydrophobicContact CE2-CB 4.23Å; F250-M303 HydrophobicContact CE2-CB 4.11Å; F250-L305 HydrophobicContact CB-CD1 4.06Å; F250-L305 HydrophobicContact CD1-CB 3.84Å; F250-L305 HydrophobicContact CD1-CD1 4.26Å; F250-L305 HydrophobicContact CD1-CD2 4.43Å; F250-L305 HydrophobicContact CD1-CG 4.41Å; F250-L305 HydrophobicContact CE1-CB 3.79Å; F250-L305 HydrophobicContact CG-CB 4.29Å; F250-L305 HydrophobicContact CG-CD1 4.08Å; F250-L305 HydrophobicContact CZ-CB 4.2Å; F250-P319 HydrophobicContact CE1-CB 4.31Å
251	D	93.8	Very high	92.6	Very high	31 Å²	31	39 Å²	39	17%	0.166	22%	0.215	C	C	.	.			trans	-76.3	99.2	171.6	179	1	0	0	0	109.4	N253 S254 D255 G256 N258 P319	D251-N253 PolarHBondContact OD1-N 3.48Å; D251-N253 PolarHBondContact OD1-OD1 3Å; D251-S254 WeakPolarHBondContact OD1-CA 3.31Å; D251-S254 PolarHBondContact OD1-N 3.2Å; D251-S254 WeakPolarHBondContact OD2-CA 3.5Å; D251-D255 PolarHBondContact OD1-N 3.41Å; D251-D255 PolarHBondContact OD2-N 3.37Å; D251-G256 VanDerWaalsContact OD2-CA 3.29Å; D251-G256 WeakPolarHBondContact OD2-CA 3.27Å; D251-G256 PolarHBondContact OD2-N 2.91Å; D251-N258 PolarHBondContact N-OD1 3.15Å; D251-P319 WeakPolarHBondContact O-CB 3.44Å
252	L	89.1	Confident	93	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	17%	0.174	C	C	.	.	S	Bend	trans	-90.7	-22.3	-177.2	-169.1	64.5	0	0	0	112.2	L2 F250 E259 I261 A271 F281 L305 P319 G320	L2-L252 HydrophobicContact CD1-CD1 3.69Å; L2-L252 HydrophobicContact CD1-CD2 3.9Å; L2-L252 HydrophobicContact CD1-CG 3.55Å; F250-L252 HydrophobicContact CD1-CB 4.14Å; F250-L252 HydrophobicContact CD1-CD1 4.07Å; F250-L252 HydrophobicContact CE1-CD1 3.94Å; F250-L252 PolarHBondContact O-N 3.04Å; L252-E259 PolarHBondContact N-OE2 3Å; L252-I261 HydrophobicContact CB-CD1 4.48Å; L252-I261 HydrophobicContact CD2-CD1 4.34Å; L252-A271 HydrophobicContact CD2-CB 3.72Å; L252-F281 HydrophobicContact CD2-CB 3.45Å; L252-F281 VanDerWaalsContact CD2-CB 3.45Å; L252-F281 HydrophobicContact CD2-CD1 3.58Å; L252-F281 HydrophobicContact CD2-CD2 4.41Å; L252-F281 HydrophobicContact CD2-CE1 4.42Å; L252-F281 HydrophobicContact CD2-CG 3.56Å; L252-L305 HydrophobicContact CD1-CD2 4.13Å; L252-P319 CarbonylContact O-C 3.47Å; L252-P319 VanDerWaalsContact O-CA 3.3Å; L252-P319 WeakPolarHBondContact O-CA 3.48Å; L252-G320 PolarHBondContact O-N 3.43Å
253	N	86.7	Confident	93.2	Very high	33 Å²	33	27 Å²	27	18%	0.176	16%	0.161	C	C	.	.	S	Bend	trans	-102.7	-1.5	-175.5	75.4	17.1	0	0	0	113.4	D251 D255 E259	D251-N253 PolarHBondContact OD1-N 3.48Å; D251-N253 PolarHBondContact OD1-OD1 3Å; N253-D255 VanDerWaalsContact C-N 3.34Å; N253-D255 PolarHBondContact ND2-OD2 2.82Å; N253-D255 WeakPolarHBondContact OD1-CA 3.44Å; N253-D255 WeakPolarHBondContact OD1-CB 3.27Å; N253-D255 PolarHBondContact OD1-N 3.02Å; N253-D255 PolarHBondContact OD1-OD1 3Å; N253-D255 PolarHBondContact OD1-OD2 3.26Å; N253-E259 PolarHBondContact ND2-OE1 3.05Å
254	S	86.8	Confident	93.4	Very high	51 Å²	51	22.6 Å²	22.6	36%	0.357	14%	0.141	S	C	.	.	S	Bend	trans	56.3	39.9	-174.8	-48.3	0	0	0	0	113.7	D251 G320	D251-S254 WeakPolarHBondContact OD1-CA 3.31Å; D251-S254 PolarHBondContact OD1-N 3.2Å; D251-S254 WeakPolarHBondContact OD2-CA 3.5Å; S254-G320 WeakPolarHBondContact CB-O 3.05Å; S254-G320 PolarHBondContact OG-O 3.18Å
255	D	85.3	Confident	93.5	Very high	80 Å²	80	24.3 Å²	24.3	43%	0.428	15%	0.153	S	C	.	.	S	Bend	trans	-93.8	-4.3	174.7	75.8	14.5	0	0	0	113.7	D251 N253 V257	D251-D255 PolarHBondContact OD1-N 3.41Å; D251-D255 PolarHBondContact OD2-N 3.37Å; N253-D255 VanDerWaalsContact C-N 3.34Å; N253-D255 PolarHBondContact ND2-OD2 2.82Å; N253-D255 WeakPolarHBondContact OD1-CA 3.44Å; N253-D255 WeakPolarHBondContact OD1-CB 3.27Å; N253-D255 PolarHBondContact OD1-N 3.02Å; N253-D255 PolarHBondContact OD1-OD1 3Å; N253-D255 PolarHBondContact OD1-OD2 3.26Å; D255-V257 VanDerWaalsContact C-N 3.34Å; D255-V257 WeakPolarHBondContact OD1-CA 3.41Å; D255-V257 VanDerWaalsContact OD1-CB 3.28Å; D255-V257 WeakPolarHBondContact OD1-CB 3.43Å; D255-V257 PolarHBondContact OD1-N 2.9Å
256	G	86.3	Confident	93.5	Very high	65 Å²	65	25.9 Å²	25.9	67%	0.67	16%	0.162	S	C	*	.	S	Bend	trans	86.1	1.5	-178.6	0	0	0	0	0	114	D251	D251-G256 VanDerWaalsContact OD2-CA 3.29Å; D251-G256 WeakPolarHBondContact OD2-CA 3.27Å; D251-G256 PolarHBondContact OD2-N 2.91Å
257	V	90.7	Very high	93.4	Very high	35 Å²	35	25.3 Å²	25.3	21%	0.212	16%	0.158	C	C	.	.	S	Bend	trans	-114.8	125.2	175.3	-175	0	0	0	0	108.9	Y213 D255 E259	Y213-V257 HydrophobicContact CD1-CG1 4.46Å; Y213-V257 HydrophobicContact CE1-CG1 3.65Å; D255-V257 VanDerWaalsContact C-N 3.34Å; D255-V257 WeakPolarHBondContact OD1-CA 3.41Å; D255-V257 VanDerWaalsContact OD1-CB 3.28Å; D255-V257 WeakPolarHBondContact OD1-CB 3.43Å; D255-V257 PolarHBondContact OD1-N 2.9Å; V257-E259 PolarHBondContact O-N 2.94Å
258	N	92.6	Very high	93.3	Very high	51 Å²	51	26 Å²	26	27%	0.273	16%	0.16	S	C	.	.			trans	-67.4	132.4	179	-66.6	-19.8	0	0	0	111.1	M212 A249 D251	M212-N258 WeakPolarHBondContact CE-O 3.41Å; M212-N258 PolarHBondContact O-ND2 3Å; A249-N258 HydrophobicContact CB-CB 4.16Å; D251-N258 PolarHBondContact N-OD1 3.15Å
259	E	94.6	Very high	93.3	Very high	4 Å²	4	24 Å²	24	2%	0.019	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	157.7	165.3	-73.5	88.7	-171.6	0	0	112.1	A249 F250 L252 N253 V257 I261 A271 R272 I280	A249-E259 CarbonylContact C-O 3.44Å; A249-E259 VanDerWaalsContact CA-O 3.29Å; A249-E259 WeakPolarHBondContact CA-O 3.4Å; F250-E259 PolarHBondContact N-O 3.49Å; F250-E259 PolarHBondContact O-N 2.84Å; L252-E259 PolarHBondContact N-OE2 3Å; N253-E259 PolarHBondContact ND2-OE1 3.05Å; V257-E259 PolarHBondContact O-N 2.94Å; E259-I261 HydrophobicContact CB-CD1 4.28Å; E259-I261 PolarHBondContact O-N 2.8Å; E259-A271 HydrophobicContact CB-CB 4.39Å; E259-R272 WeakPolarHBondContact CA-O 3.32Å; E259-R272 WeakPolarHBondContact CB-O 3.39Å; E259-I280 HydrophobicContact CG-CD1 3.58Å
260	L	96.8	Very high	93.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	104.6	169.5	-171.1	65.6	0	0	0	110	M212 V226 V228 W236 I247 R272	M212-L260 HydrophobicContact CE-CB 4.13Å; M212-L260 HydrophobicContact SD-CB 4.46Å; M212-L260 HydrophobicContact SD-CD1 4.49Å; V226-L260 HydrophobicContact CG1-CD2 3.59Å; V228-L260 HydrophobicContact CG2-CD2 3.93Å; W236-L260 HydrophobicContact CH2-CD2 4Å; W236-L260 HydrophobicContact CZ2-CD2 4.16Å; I247-L260 HydrophobicContact CB-CD1 4.13Å; I247-L260 HydrophobicContact CD1-CD1 4.46Å; L260-R272 PolarHBondContact N-O 2.71Å; L260-R272 PolarHBondContact O-N 3.16Å
261	I	97.1	Very high	93.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	126.2	172.8	-44.3	-56.7	0	0	0	109.1	I247 H248 F250 L252 E259 V269 D270 A271 V292 L305	I247-I261 CarbonylContact C-O 3.53Å; I247-I261 VanDerWaalsContact CA-O 3.28Å; I247-I261 WeakPolarHBondContact CA-O 3.21Å; H248-I261 PolarHBondContact N-O 3.06Å; H248-I261 WeakPolarHBondContact O-CA 3.3Å; H248-I261 WeakPolarHBondContact O-CB 3.35Å; H248-I261 PolarHBondContact O-N 3.05Å; F250-I261 HydrophobicContact CB-CD1 4.48Å; F250-I261 HydrophobicContact CB-CG1 3.87Å; L252-I261 HydrophobicContact CB-CD1 4.48Å; L252-I261 HydrophobicContact CD2-CD1 4.34Å; E259-I261 HydrophobicContact CB-CD1 4.28Å; E259-I261 PolarHBondContact O-N 2.8Å; I261-V269 HydrophobicContact CG2-CG1 3.88Å; I261-D270 WeakPolarHBondContact CA-O 3.38Å; I261-A271 HydrophobicContact CD1-CB 3.3Å; I261-V292 HydrophobicContact CB-CG1 4.21Å; I261-V292 HydrophobicContact CG2-CG1 3.79Å; I261-L305 HydrophobicContact CB-CD1 4.47Å; I261-L305 HydrophobicContact CD1-CD2 4.23Å; I261-L305 HydrophobicContact CG1-CD1 4.01Å; I261-L305 HydrophobicContact CG1-CD2 4.11Å; I261-L305 HydrophobicContact CG2-CD1 4.32Å; I261-L305 HydrophobicContact CG2-CD2 4Å
262	T	97.4	Very high	93.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.6	-179.5	-55.9	0	0	0	0	111.1	V226 A244 I247 W264 V269 D270	V226-T262 HydrophobicContact CG2-CG2 4.11Å; A244-T262 HydrophobicContact CB-CG2 3.71Å; I247-T262 HydrophobicContact CG2-CG2 3.99Å; T262-W264 HydrophobicContact CG2-CD2 4.11Å; T262-W264 HydrophobicContact CG2-CG 4.39Å; T262-W264 HydrophobicContact CG2-CZ2 3.86Å; T262-V269 WeakPolarHBondContact O-CA 3.42Å; T262-D270 WeakPolarHBondContact CB-OD1 3.04Å; T262-D270 PolarHBondContact N-O 3.14Å; T262-D270 PolarHBondContact O-N 3.03Å; T262-D270 VanDerWaalsContact O-N 3.08Å
263	G	96.9	Very high	93.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.7	170	0	0	0	0	0	111.4	M245 S246	M245-G263 PolarHBondContact N-O 3.39Å; S246-G263 PolarHBondContact O-N 2.49Å
264	W	96.8	Very high	93.4	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	158.2	-175.5	-60.3	79.8	0	0	0	112.8	V226 I238 N242 H243 T262 N266 G267 K268 D270 I289	V226-W264 HydrophobicContact CG2-CH2 3.86Å; V226-W264 HydrophobicContact CG2-CZ2 4.32Å; V226-W264 HydrophobicContact CG2-CZ3 4.41Å; I238-W264 HydrophobicContact CD1-CH2 4.19Å; I238-W264 HydrophobicContact CD1-CZ2 4.06Å; N242-W264 HydrophobicContact CB-CE3 4.11Å; N242-W264 WeakPolarHBondContact O-CZ3 3.5Å; H243-W264 CarbonylContact O-C 3.5Å; H243-W264 WeakPolarHBondContact O-CA 3.28Å; T262-W264 HydrophobicContact CG2-CD2 4.11Å; T262-W264 HydrophobicContact CG2-CG 4.39Å; T262-W264 HydrophobicContact CG2-CZ2 3.86Å; W264-N266 WeakPolarHBondContact CB-OD1 3.24Å; W264-N266 PolarHBondContact O-N 2.91Å; W264-N266 VanDerWaalsContact O-N 3.16Å; W264-G267 PolarHBondContact O-N 2.87Å; W264-K268 HydrophobicContact CB-CB 4.22Å; W264-K268 WeakPolarHBondContact CB-O 3.4Å; W264-K268 HydrophobicContact CG-CB 4.34Å; W264-K268 PolarHBondContact N-O 2.86Å; W264-K268 VanDerWaalsContact NE1-CE 3.34Å; W264-D270 VanDerWaalsContact NE1-CG 3.29Å; W264-D270 PolarHBondContact NE1-OD1 2.93Å; W264-D270 PolarHBondContact NE1-OD2 2.93Å; W264-I289 PolarHBondContact O-N 2.84Å
265	S	96.1	Very high	93.5	Very high	38 Å²	38	28.4 Å²	28.4	27%	0.266	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19	179	64.6	0	0	0	0	114.4	N242 H243 A288	N242-S265 WeakPolarHBondContact CB-OG 3.35Å; H243-S265 PolarHBondContact N-OG 2.98Å; H243-S265 PolarHBondContact O-N 3.44Å; S265-A288 WeakPolarHBondContact O-CA 3.48Å; S265-A288 WeakPolarHBondContact O-CB 3.28Å
266	N	94.7	Very high	93.6	Very high	72 Å²	72	28.3 Å²	28.3	39%	0.385	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	6.8	175.9	73.9	-22.4	0	0	0	113.7	N242 W264 K268	N242-N266 PolarHBondContact ND2-ND2 2.98Å; W264-N266 WeakPolarHBondContact CB-OD1 3.24Å; W264-N266 PolarHBondContact O-N 2.91Å; W264-N266 VanDerWaalsContact O-N 3.16Å; N266-K268 VanDerWaalsContact C-N 3.33Å; N266-K268 PolarHBondContact O-N 2.83Å; N266-K268 VanDerWaalsContact OD1-CB 3.23Å; N266-K268 WeakPolarHBondContact OD1-CB 3.47Å; N266-K268 PolarHBondContact OD1-N 3Å; N266-K268 VanDerWaalsContact OD1-N 3.07Å
267	G	94.1	Very high	93.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	84.5	-1.2	-178.1	0	0	0	0	0	115.1	W264 F285 S287	W264-G267 PolarHBondContact O-N 2.87Å; G267-F285 WeakPolarHBondContact O-CB 3.29Å; G267-F285 PolarHBondContact O-N 3.38Å; G267-S287 WeakPolarHBondContact CA-O 3.48Å
268	K	95.5	Very high	93.7	Very high	27 Å²	27	30.2 Å²	30.2	12%	0.117	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	137.5	170.3	-173.5	-172.8	57.2	147.7	0	109	W264 N266 D270 K282 D283	W264-K268 HydrophobicContact CB-CB 4.22Å; W264-K268 WeakPolarHBondContact CB-O 3.4Å; W264-K268 HydrophobicContact CG-CB 4.34Å; W264-K268 PolarHBondContact N-O 2.86Å; W264-K268 VanDerWaalsContact NE1-CE 3.34Å; N266-K268 VanDerWaalsContact C-N 3.33Å; N266-K268 PolarHBondContact O-N 2.83Å; N266-K268 VanDerWaalsContact OD1-CB 3.23Å; N266-K268 WeakPolarHBondContact OD1-CB 3.47Å; N266-K268 PolarHBondContact OD1-N 3Å; N266-K268 VanDerWaalsContact OD1-N 3.07Å; K268-D270 IonicContact NZ-OD2 3.82Å; K268-D270 PolarHBondContact NZ-OD2 3.4Å; K268-K282 HydrophobicContact CG-CG 4.3Å; K268-D283 WeakPolarHBondContact CA-O 3.29Å
269	V	96.1	Very high	93.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126	164.6	179	0	0	0	0	106.8	I261 T262 K282 D283 F285 I289	I261-V269 HydrophobicContact CG2-CG1 3.88Å; T262-V269 WeakPolarHBondContact O-CA 3.42Å; V269-K282 CarbonylContact O-C 3.56Å; V269-K282 VanDerWaalsContact O-CA 3.28Å; V269-K282 WeakPolarHBondContact O-CA 3.44Å; V269-D283 PolarHBondContact N-O 2.76Å; V269-D283 PolarHBondContact O-N 2.96Å; V269-F285 HydrophobicContact CG2-CD2 3.84Å; V269-F285 HydrophobicContact CG2-CE2 3.7Å; V269-I289 HydrophobicContact CG2-CD1 3.59Å; V269-I289 HydrophobicContact CG2-CG1 3.76Å
270	D	94.4	Very high	93.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.011	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.7	171.3	54.8	12.1	0	0	0	111.9	I261 T262 W264 K268 R272 V279 F281	I261-D270 WeakPolarHBondContact CA-O 3.38Å; T262-D270 WeakPolarHBondContact CB-OD1 3.04Å; T262-D270 PolarHBondContact N-O 3.14Å; T262-D270 PolarHBondContact O-N 3.03Å; T262-D270 VanDerWaalsContact O-N 3.08Å; W264-D270 VanDerWaalsContact NE1-CG 3.29Å; W264-D270 PolarHBondContact NE1-OD1 2.93Å; W264-D270 PolarHBondContact NE1-OD2 2.93Å; K268-D270 IonicContact NZ-OD2 3.82Å; K268-D270 PolarHBondContact NZ-OD2 3.4Å; D270-R272 IonicContact OD1-NE 2.69Å; D270-R272 IonicContact OD2-CZ 2.81Å; D270-R272 IonicContact OD2-NE 3.79Å; D270-R272 PolarHBondContact OD2-NE 2.75Å; D270-R272 IonicContact OD2-NH2 2.69Å; D270-R272 PolarHBondContact OD2-NH2 2.83Å; D270-V279 HydrophobicContact CB-CG1 4.09Å; D270-F281 CarbonylContact C-O 3.59Å; D270-F281 VanDerWaalsContact CA-O 3.24Å; D270-F281 WeakPolarHBondContact CA-O 3.22Å
271	A	93.9	Very high	92.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128	170.5	0	0	0	0	0	108.3	L252 E259 I261 I280 F281	L252-A271 HydrophobicContact CD2-CB 3.72Å; E259-A271 HydrophobicContact CB-CB 4.39Å; I261-A271 HydrophobicContact CD1-CB 3.3Å; A271-I280 PolarHBondContact O-N 3.35Å; A271-F281 HydrophobicContact CB-CB 3.78Å; A271-F281 HydrophobicContact CB-CD1 4.42Å; A271-F281 PolarHBondContact N-O 3.38Å; A271-F281 PolarHBondContact O-N 3.19Å
272	R	93.8	Very high	92.6	Very high	30 Å²	30	40.5 Å²	40.5	11%	0.113	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.8	-176.7	-67.7	174.2	179.9	-90.8	-4.2	111.6	W236 E259 L260 D270 D274 G277 E278 V279	W236-R272 HydrophobicContact CH2-CB 4.08Å; W236-R272 HydrophobicContact CZ2-CB 4.17Å; E259-R272 WeakPolarHBondContact CA-O 3.32Å; E259-R272 WeakPolarHBondContact CB-O 3.39Å; L260-R272 PolarHBondContact N-O 2.71Å; L260-R272 PolarHBondContact O-N 3.16Å; D270-R272 IonicContact OD1-NE 2.69Å; D270-R272 IonicContact OD2-CZ 2.81Å; D270-R272 IonicContact OD2-NE 3.79Å; D270-R272 PolarHBondContact OD2-NE 2.75Å; D270-R272 IonicContact OD2-NH2 2.69Å; D270-R272 PolarHBondContact OD2-NH2 2.83Å; R272-D274 PolarHBondContact O-N 3.36Å; R272-G277 PolarHBondContact NH1-O 3.13Å; R272-E278 VanDerWaalsContact CA-O 3.23Å; R272-E278 WeakPolarHBondContact CA-O 3.4Å; R272-V279 HydrophobicContact CG-CG2 4.2Å
273	S	92.9	Very high	92.4	Very high	22 Å²	22	42.2 Å²	42.2	15%	0.154	21%	0.21	C	C	.	.			trans	-60.6	137.3	172	177.4	0	0	0	0	110.3	W236 R275 G277 E278	W236-S273 PolarHBondContact NE1-O 2.87Å; W236-S273 VanDerWaalsContact NE1-O 3.17Å; S273-R275 PolarHBondContact O-N 3.41Å; S273-R275 PolarHBondContact OG-N 2.69Å; S273-G277 VanDerWaalsContact O-CA 3.31Å; S273-G277 WeakPolarHBondContact O-CA 3.48Å; S273-G277 PolarHBondContact O-N 2.76Å; S273-E278 PolarHBondContact N-O 2.71Å
274	D	88.6	Confident	92.3	Very high	6 Å²	6	46 Å²	46	3%	0.032	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.8	173	70	-45.9	0	0	0	113	M212 Y213 R216 W236 R272	M212-D274 HydrophobicContact CE-CB 3.67Å; M212-D274 HydrophobicContact SD-CB 4.33Å; Y213-D274 WeakPolarHBondContact CE1-OD2 3.19Å; Y213-D274 PolarHBondContact OH-OD2 2.96Å; R216-D274 IonicContact CZ-OD2 2.86Å; R216-D274 IonicContact NH1-OD2 3.78Å; R216-D274 PolarHBondContact NH1-OD2 3.49Å; W236-D274 PolarHBondContact NE1-O 3.42Å; R272-D274 PolarHBondContact O-N 3.36Å
275	R	88.1	Confident	92.2	Very high	164 Å²	164	46.7 Å²	46.7	62%	0.619	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-49.3	-176	-64	-178.7	-173.9	-171.5	1	113.4	S273	S273-R275 PolarHBondContact O-N 3.41Å; S273-R275 PolarHBondContact OG-N 2.69Å
276	T	88.9	Confident	92	Very high	78 Å²	78	49.3 Å²	49.3	48%	0.479	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-18.3	-170.4	59	0	0	0	0	113.5	E278	T276-E278 PolarHBondContact O-N 2.72Å; T276-E278 WeakPolarHBondContact OG1-CB 3.37Å; T276-E278 WeakPolarHBondContact OG1-CG 3.44Å; T276-E278 PolarHBondContact OG1-N 3.42Å
277	G	90.1	Very high	92.1	Very high	5 Å²	5	47.1 Å²	47.1	5%	0.052	24%	0.242	C	C	.	.			trans	74.9	8.8	-172.2	0	0	0	0	0	114.5	R272 S273	R272-G277 PolarHBondContact NH1-O 3.13Å; S273-G277 VanDerWaalsContact O-CA 3.31Å; S273-G277 WeakPolarHBondContact O-CA 3.48Å; S273-G277 PolarHBondContact O-N 2.76Å
278	E	88.8	Confident	92.2	Very high	135 Å²	135	48.1 Å²	48.1	63%	0.631	25%	0.25	S	C	*	.			trans	-65.3	144.5	174.9	-72.1	176	-177.5	0	0	111.1	R272 S273 T276 I280	R272-E278 VanDerWaalsContact CA-O 3.23Å; R272-E278 WeakPolarHBondContact CA-O 3.4Å; S273-E278 PolarHBondContact N-O 2.71Å; T276-E278 PolarHBondContact O-N 2.72Å; T276-E278 WeakPolarHBondContact OG1-CB 3.37Å; T276-E278 WeakPolarHBondContact OG1-CG 3.44Å; T276-E278 PolarHBondContact OG1-N 3.42Å; E278-I280 PolarHBondContact O-N 3.45Å
279	V	89.8	Confident	92.3	Very high	68 Å²	68	46.8 Å²	46.8	41%	0.412	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	118.5	-177.5	179.5	0	0	0	0	109.5	D270 R272 F281 K282	D270-V279 HydrophobicContact CB-CG1 4.09Å; R272-V279 HydrophobicContact CG-CG2 4.2Å; V279-F281 WeakPolarHBondContact CG1-O 3.24Å; V279-K282 HydrophobicContact CG1-CB 4.33Å
280	I	88.3	Confident	92.3	Very high	80 Å²	80	46.8 Å²	46.8	41%	0.41	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-41.7	178.1	-65.5	165.1	0	0	0	110.4	E259 A271 E278	E259-I280 HydrophobicContact CG-CD1 3.58Å; A271-I280 PolarHBondContact O-N 3.35Å; E278-I280 PolarHBondContact O-N 3.45Å
281	F	88	Confident	92.4	Very high	14 Å²	14	46.9 Å²	46.9	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.2	179.8	170.1	-102.2	0	0	0	110.7	L2 L252 D270 A271 V279 D283 Y317	L2-F281 HydrophobicContact CB-CD2 4.14Å; L2-F281 HydrophobicContact CB-CE2 3.77Å; L2-F281 HydrophobicContact CD1-CD2 4.21Å; L2-F281 HydrophobicContact CG-CD2 4.47Å; L252-F281 HydrophobicContact CD2-CB 3.45Å; L252-F281 VanDerWaalsContact CD2-CB 3.45Å; L252-F281 HydrophobicContact CD2-CD1 3.58Å; L252-F281 HydrophobicContact CD2-CD2 4.41Å; L252-F281 HydrophobicContact CD2-CE1 4.42Å; L252-F281 HydrophobicContact CD2-CG 3.56Å; D270-F281 CarbonylContact C-O 3.59Å; D270-F281 VanDerWaalsContact CA-O 3.24Å; D270-F281 WeakPolarHBondContact CA-O 3.22Å; A271-F281 HydrophobicContact CB-CB 3.78Å; A271-F281 HydrophobicContact CB-CD1 4.42Å; A271-F281 PolarHBondContact N-O 3.38Å; A271-F281 PolarHBondContact O-N 3.19Å; V279-F281 WeakPolarHBondContact CG1-O 3.24Å; F281-D283 HydrophobicContact CE1-CB 3.99Å; F281-D283 HydrophobicContact CZ-CB 3.73Å; F281-Y317 HydrophobicContact CZ-CD1 4.02Å; F281-Y317 AromaticContact CZ-CE1 3.86Å; F281-Y317 HydrophobicContact CZ-CE1 3.86Å
282	K	91.4	Very high	92.5	Very high	110 Å²	110	47.2 Å²	47.2	48%	0.478	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	135.7	175.5	-175.8	-177.8	171.3	-169.8	0	110.5	K268 V269 V279	K268-K282 HydrophobicContact CG-CG 4.3Å; V269-K282 CarbonylContact O-C 3.56Å; V269-K282 VanDerWaalsContact O-CA 3.28Å; V269-K282 WeakPolarHBondContact O-CA 3.44Å; V279-K282 HydrophobicContact CG1-CB 4.33Å
283	D	93.2	Very high	92.6	Very high	35 Å²	35	46.8 Å²	46.8	19%	0.187	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	166.5	167	-166.9	17.4	0	0	0	110.8	K268 V269 F281 R315 Y317	K268-D283 WeakPolarHBondContact CA-O 3.29Å; V269-D283 PolarHBondContact N-O 2.76Å; V269-D283 PolarHBondContact O-N 2.96Å; F281-D283 HydrophobicContact CE1-CB 3.99Å; F281-D283 HydrophobicContact CZ-CB 3.73Å; D283-R315 IonicContact OD1-NH1 2.8Å; D283-R315 PolarHBondContact OD1-NH1 3.32Å; D283-R315 IonicContact OD2-NH1 3.91Å; D283-R315 PolarHBondContact OD2-NH1 3.19Å; D283-Y317 PolarHBondContact OD2-OH 3.44Å
284	N	94.1	Very high	92.7	Very high	81 Å²	81	49.7 Å²	49.7	43%	0.433	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.6	-178.9	-83.6	87.1	0	0	0	110.9	R315	N284-R315 PolarHBondContact O-NH1 3.3Å; N284-R315 VanDerWaalsContact O-NH1 3.07Å
285	F	95	Very high	92.9	Very high	14 Å²	14	49.6 Å²	49.6	6%	0.061	26%	0.26	C	S	.	.			trans	-95.3	163.2	170.8	-76.1	-108.2	0	0	0	110.9	G267 V269 S287 I289 C307 E313 R315	G267-F285 WeakPolarHBondContact O-CB 3.29Å; G267-F285 PolarHBondContact O-N 3.38Å; V269-F285 HydrophobicContact CG2-CD2 3.84Å; V269-F285 HydrophobicContact CG2-CE2 3.7Å; F285-S287 VanDerWaalsContact C-N 3.28Å; F285-I289 HydrophobicContact CB-CD1 3.84Å; F285-I289 HydrophobicContact CD1-CD1 4.2Å; F285-I289 HydrophobicContact CD2-CD1 3.43Å; F285-I289 VanDerWaalsContact CD2-CD1 3.43Å; F285-I289 HydrophobicContact CE2-CD1 3.98Å; F285-I289 HydrophobicContact CG-CD1 3.55Å; F285-C307 HydrophobicContact CE1-CB 4.48Å; F285-C307 HydrophobicContact CE2-CB 3.9Å; F285-C307 HydrophobicContact CZ-CB 3.51Å; F285-E313 HydrophobicContact CD1-CB 4.47Å; F285-E313 HydrophobicContact CD1-CG 4.39Å; F285-E313 HydrophobicContact CE1-CG 4.44Å; F285-R315 HydrophobicContact CE1-CB 4.21Å; F285-R315 HydrophobicContact CE1-CG 3.72Å; F285-R315 HydrophobicContact CZ-CB 3.82Å; F285-R315 HydrophobicContact CZ-CG 3.74Å
286	S	93.4	Very high	93.1	Very high	92 Å²	92	43.6 Å²	43.6	64%	0.643	24%	0.24	S	C	*	.	S	Bend	trans	-72.3	-21.1	177	50.1	0	0	0	0	113.5	E313	S286-E313 PolarHBondContact OG-OE2 2.75Å
287	S	95.6	Very high	93.1	Very high	26 Å²	26	40.2 Å²	40.2	18%	0.182	22%	0.219	C	C	.	.	S	Bend	trans	-143.3	172	-174	-163.4	0	0	0	0	110.9	G267 F285 D311	G267-S287 WeakPolarHBondContact CA-O 3.48Å; F285-S287 VanDerWaalsContact C-N 3.28Å; S287-D311 WeakPolarHBondContact CB-OD2 3.06Å; S287-D311 PolarHBondContact OG-OD2 2.85Å
288	A	96.6	Very high	93	Very high	21 Å²	21	44.1 Å²	44.1	17%	0.174	23%	0.232	C	C	.	.			trans	-53.1	144.4	177.3	0	0	0	0	0	111.8	S265 S309 V310	S265-A288 WeakPolarHBondContact O-CA 3.48Å; S265-A288 WeakPolarHBondContact O-CB 3.28Å; A288-S309 CarbonylContact O-C 3.54Å; A288-S309 VanDerWaalsContact O-CA 3.32Å; A288-S309 WeakPolarHBondContact O-CA 3.38Å; A288-S309 WeakPolarHBondContact O-CB 3.38Å; A288-V310 HydrophobicContact CB-CB 4.47Å; A288-V310 HydrophobicContact CB-CG2 3.89Å; A288-V310 WeakPolarHBondContact O-CG2 3.38Å; A288-V310 PolarHBondContact O-N 2.85Å
289	I	97.7	Very high	92.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.1	172.9	-54.7	-57.4	0	0	0	109.1	M245 W264 V269 F285 V292	M245-I289 WeakPolarHBondContact CB-O 3.45Å; M245-I289 WeakPolarHBondContact CG-O 3.04Å; W264-I289 PolarHBondContact O-N 2.84Å; V269-I289 HydrophobicContact CG2-CD1 3.59Å; V269-I289 HydrophobicContact CG2-CG1 3.76Å; F285-I289 HydrophobicContact CB-CD1 3.84Å; F285-I289 HydrophobicContact CD1-CD1 4.2Å; F285-I289 HydrophobicContact CD2-CD1 3.43Å; F285-I289 VanDerWaalsContact CD2-CD1 3.43Å; F285-I289 HydrophobicContact CE2-CD1 3.98Å; F285-I289 HydrophobicContact CG-CD1 3.55Å; I289-V292 HydrophobicContact CG2-CG2 3.89Å
290	A	96.1	Very high	92.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-39.4	176.6	0	0	0	0	0	111.9	I14 P16 R17 C308 V310	I14-A290 HydrophobicContact CB-CB 3.92Å; I14-A290 HydrophobicContact CG2-CB 3.53Å; P16-A290 WeakPolarHBondContact CA-O 3.31Å; R17-A290 PolarHBondContact N-O 3.36Å; A290-C308 PolarHBondContact N-O 2.91Å; A290-V310 HydrophobicContact CB-CG2 3.85Å
291	G	95.9	Very high	92.6	Very high	4 Å²	4	40.7 Å²	40.7	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	150.1	-179.7	0	0	0	0	0	112.3	C308	G291-C308 PolarHBondContact N-O 3.19Å; G291-C308 PolarHBondContact O-N 2.76Å
292	V	96.8	Very high	92.6	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.6	172.1	179.3	0	0	0	0	106.1	S246 H248 I261 I289 L305 I306	S246-V292 PolarHBondContact OG-N 3.32Å; H248-V292 HydrophobicContact CB-CB 4.3Å; H248-V292 HydrophobicContact CB-CG1 4.03Å; I261-V292 HydrophobicContact CB-CG1 4.21Å; I261-V292 HydrophobicContact CG2-CG1 3.79Å; I289-V292 HydrophobicContact CG2-CG2 3.89Å; V292-L305 HydrophobicContact CG1-CD1 3.45Å; V292-L305 VanDerWaalsContact CG1-CD1 3.45Å; V292-L305 HydrophobicContact CG1-CG 4.3Å; V292-I306 WeakPolarHBondContact CA-O 3.35Å
293	V	96.1	Very high	92.6	Very high	21 Å²	21	44.5 Å²	44.5	13%	0.127	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.8	-174.2	-68.2	0	0	0	0	109.5	V19 I21 L31 I306	V19-V293 HydrophobicContact CG1-CG1 4.27Å; V19-V293 HydrophobicContact CG1-CG2 4.26Å; I21-V293 HydrophobicContact CD1-CB 4.34Å; I21-V293 HydrophobicContact CD1-CG2 3.48Å; I21-V293 VanDerWaalsContact CD1-CG2 3.48Å; I21-V293 HydrophobicContact CG1-CG2 3.83Å; L31-V293 HydrophobicContact CD1-CG2 4.38Å; V293-I306 HydrophobicContact CG2-CB 4.13Å; V293-I306 HydrophobicContact CG2-CG2 4.39Å; V293-I306 PolarHBondContact N-O 3.44Å; V293-I306 PolarHBondContact O-N 2.96Å
294	E	94.7	Very high	92.6	Very high	82 Å²	82	42.9 Å²	42.9	38%	0.383	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	149.6	174.2	69.9	179	178.6	0	0	112.2	H248 F250 M303 Q304	H248-E294 VanDerWaalsContact NE2-CG 3.29Å; H248-E294 WeakPolarHBondContact NE2-CG 3.48Å; H248-E294 IonicContact NE2-OE1 3.35Å; H248-E294 IonicContact NE2-OE2 3.8Å; F250-E294 HydrophobicContact CD2-CB 3.97Å; F250-E294 WeakPolarHBondContact CD2-OE2 3.33Å; F250-E294 HydrophobicContact CE2-CB 4.23Å; E294-M303 HydrophobicContact CB-CE 4.01Å; E294-M303 HydrophobicContact CG-CE 3.64Å; E294-Q304 CarbonylContact C-O 3.49Å; E294-Q304 VanDerWaalsContact CA-O 3.3Å; E294-Q304 WeakPolarHBondContact CA-O 3.36Å
295	G	92.4	Very high	92.6	Very high	5 Å²	5	39 Å²	39	5%	0.052	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.5	152.8	173.2	0	0	0	0	0	113.2	Y297 Q304	G295-Y297 PolarHBondContact O-N 3.24Å; G295-Q304 PolarHBondContact N-O 3.08Å; G295-Q304 WeakPolarHBondContact O-CB 3.38Å; G295-Q304 PolarHBondContact O-N 2.69Å; G295-Q304 VanDerWaalsContact O-N 3.1Å
296	D	92.3	Very high	92.7	Very high	37 Å²	37	38.4 Å²	38.4	20%	0.198	22%	0.218	C	C	.	.			trans	-78.7	68.6	176.3	179.9	8.8	0	0	0	111.8	P29 R298 M299 D300 G301	P29-D296 WeakPolarHBondContact CG-O 3.09Å; D296-R298 PolarHBondContact O-N 3.43Å; D296-M299 PolarHBondContact O-N 3.2Å; D296-M299 VanDerWaalsContact OD1-CA 3.24Å; D296-M299 WeakPolarHBondContact OD1-CA 3.46Å; D296-M299 PolarHBondContact OD1-N 2.89Å; D296-M299 WeakPolarHBondContact OD2-CA 3.45Å; D296-D300 PolarHBondContact OD1-N 3.47Å; D296-D300 VanDerWaalsContact OD1-OD1 3.11Å; D296-D300 PolarHBondContact OD2-N 3.35Å; D296-G301 VanDerWaalsContact OD2-CA 3.28Å; D296-G301 WeakPolarHBondContact OD2-CA 3.38Å; D296-G301 PolarHBondContact OD2-N 2.96Å
297	Y	89.6	Confident	92.9	Very high	7 Å²	7	34 Å²	34	3%	0.027	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28	-171.5	-158.3	-115.7	0	0	0	114.8	F6 L8 L31 H43 P45 H46 G295 I306	F6-Y297 AromaticContact CE1-CD1 3.95Å; F6-Y297 HydrophobicContact CE1-CD1 3.95Å; F6-Y297 HydrophobicContact CE1-CG 4.46Å; F6-Y297 AromaticContact CE2-CD1 3.92Å; F6-Y297 HydrophobicContact CE2-CD1 3.92Å; F6-Y297 HydrophobicContact CE2-CE1 4.11Å; F6-Y297 AromaticContact CZ-CD1 3.47Å; F6-Y297 HydrophobicContact CZ-CD1 3.47Å; F6-Y297 VanDerWaalsContact CZ-CD1 3.47Å; F6-Y297 HydrophobicContact CZ-CE1 4.1Å; F6-Y297 HydrophobicContact CZ-CG 4.05Å; L8-Y297 HydrophobicContact CD1-CE1 3.92Å; L31-Y297 HydrophobicContact CB-CE2 4.11Å; H43-Y297 PolarHBondContact CE1-OH 2.87Å; H43-Y297 AromaticContact ND1-CZ 3.77Å; H43-Y297 PolarHBondContact ND1-OH 2.97Å; P45-Y297 HydrophobicContact CG-CD1 4.41Å; P45-Y297 HydrophobicContact CG-CE1 3.91Å; P45-Y297 HydrophobicContact CG-CE2 4.35Å; H46-Y297 PolarHBondContact NE2-O 3.01Å; G295-Y297 PolarHBondContact O-N 3.24Å; Y297-I306 HydrophobicContact CD2-CD1 4.4Å; Y297-I306 HydrophobicContact CG-CD1 4.27Å
298	R	87.4	Confident	92.9	Very high	88 Å²	88	32.8 Å²	32.8	33%	0.332	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-3.5	-178.1	-65.5	-178.7	-68.2	129.2	19.8	113.3	F6 D296 D300 L318	F6-R298 HydrophobicContact CD1-CG 4.18Å; F6-R298 HydrophobicContact CE1-CG 4.45Å; D296-R298 PolarHBondContact O-N 3.43Å; R298-D300 VanDerWaalsContact C-N 3.27Å; R298-D300 IonicContact CZ-OD2 3.39Å; R298-D300 VanDerWaalsContact CZ-OD2 3.31Å; R298-D300 IonicContact NH1-OD2 3.47Å; R298-D300 IonicContact NH2-OD1 3.92Å; R298-D300 IonicContact NH2-OD2 2.89Å; R298-D300 PolarHBondContact NH2-OD2 2.86Å; R298-D300 PolarHBondContact O-N 3.08Å; R298-L318 VanDerWaalsContact NH2-CG 3.33Å
299	M	87.4	Confident	93	Very high	87 Å²	87	31.8 Å²	31.8	43%	0.429	17%	0.171	S	C	.	.	S	Bend	trans	56.4	40.6	-173.8	-55.6	-170.4	-59.2	0	0	112.6	H28 D296	H28-M299 PolarHBondContact CD2-SD 3.14Å; D296-M299 PolarHBondContact O-N 3.2Å; D296-M299 VanDerWaalsContact OD1-CA 3.24Å; D296-M299 WeakPolarHBondContact OD1-CA 3.46Å; D296-M299 PolarHBondContact OD1-N 2.89Å; D296-M299 WeakPolarHBondContact OD2-CA 3.45Å
300	D	85.9	Confident	92.9	Very high	60 Å²	60	33.3 Å²	33.3	32%	0.321	18%	0.18	S	C	.	.	S	Bend	trans	-96	6	176.1	68.2	-13.1	0	0	0	113	D296 R298 H302 Q304	D296-D300 PolarHBondContact OD1-N 3.47Å; D296-D300 VanDerWaalsContact OD1-OD1 3.11Å; D296-D300 PolarHBondContact OD2-N 3.35Å; R298-D300 VanDerWaalsContact C-N 3.27Å; R298-D300 IonicContact CZ-OD2 3.39Å; R298-D300 VanDerWaalsContact CZ-OD2 3.31Å; R298-D300 IonicContact NH1-OD2 3.47Å; R298-D300 IonicContact NH2-OD1 3.92Å; R298-D300 IonicContact NH2-OD2 2.89Å; R298-D300 PolarHBondContact NH2-OD2 2.86Å; R298-D300 PolarHBondContact O-N 3.08Å; D300-H302 PolarHBondContact O-CD2 2.81Å; D300-H302 PolarHBondContact O-N 3.44Å; D300-H302 PolarHBondContact OD1-N 3.15Å; D300-Q304 PolarHBondContact OD1-NE2 3.02Å
301	G	85.9	Confident	92.9	Very high	64 Å²	64	36.3 Å²	36.3	66%	0.66	20%	0.196	S	C	*	.	S	Bend	trans	79	2.4	-179.6	0	0	0	0	0	113.5	D296	D296-G301 VanDerWaalsContact OD2-CA 3.28Å; D296-G301 WeakPolarHBondContact OD2-CA 3.38Å; D296-G301 PolarHBondContact OD2-N 2.96Å
302	H	88.3	Confident	92.7	Very high	115 Å²	115	36.1 Å²	36.1	53%	0.532	19%	0.194	S	C	.	.	S	Bend	trans	-113.9	132.4	-180	-64.7	-68.7	0	0	0	110.8	D300 Q304 L318	D300-H302 PolarHBondContact O-CD2 2.81Å; D300-H302 PolarHBondContact O-N 3.44Å; D300-H302 PolarHBondContact OD1-N 3.15Å; H302-Q304 PolarHBondContact O-N 3.1Å; H302-L318 HydrophobicContact CB-CD2 3.83Å
303	M	90.8	Very high	92.7	Very high	89 Å²	89	37 Å²	37	44%	0.438	20%	0.198	S	C	.	.			trans	-65.5	133.9	173.5	-65.9	-62.6	-72.1	0	0	109.9	F250 E294	F250-M303 HydrophobicContact CE2-CB 4.11Å; E294-M303 HydrophobicContact CB-CE 4.01Å; E294-M303 HydrophobicContact CG-CE 3.64Å
304	Q	92.4	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.3	-179.2	-65.3	162	42	0	0	109.6	F6 E294 G295 D300 H302 I306 Y317 L318	F6-Q304 VanDerWaalsContact CE1-OE1 3.32Å; E294-Q304 CarbonylContact C-O 3.49Å; E294-Q304 VanDerWaalsContact CA-O 3.3Å; E294-Q304 WeakPolarHBondContact CA-O 3.36Å; G295-Q304 PolarHBondContact N-O 3.08Å; G295-Q304 WeakPolarHBondContact O-CB 3.38Å; G295-Q304 PolarHBondContact O-N 2.69Å; G295-Q304 VanDerWaalsContact O-N 3.1Å; D300-Q304 PolarHBondContact OD1-NE2 3.02Å; H302-Q304 PolarHBondContact O-N 3.1Å; Q304-I306 HydrophobicContact CB-CG1 4.46Å; Q304-Y317 WeakPolarHBondContact CA-O 3.5Å; Q304-L318 HydrophobicContact CG-CD2 3.57Å; Q304-L318 HydrophobicContact CG-CG 4.17Å
305	L	95.6	Very high	92.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.1	171.7	-179.9	70.2	0	0	0	109	F250 L252 I261 V292 G316 Y317	F250-L305 HydrophobicContact CB-CD1 4.06Å; F250-L305 HydrophobicContact CD1-CB 3.84Å; F250-L305 HydrophobicContact CD1-CD1 4.26Å; F250-L305 HydrophobicContact CD1-CD2 4.43Å; F250-L305 HydrophobicContact CD1-CG 4.41Å; F250-L305 HydrophobicContact CE1-CB 3.79Å; F250-L305 HydrophobicContact CG-CB 4.29Å; F250-L305 HydrophobicContact CG-CD1 4.08Å; F250-L305 HydrophobicContact CZ-CB 4.2Å; L252-L305 HydrophobicContact CD1-CD2 4.13Å; I261-L305 HydrophobicContact CB-CD1 4.47Å; I261-L305 HydrophobicContact CD1-CD2 4.23Å; I261-L305 HydrophobicContact CG1-CD1 4.01Å; I261-L305 HydrophobicContact CG1-CD2 4.11Å; I261-L305 HydrophobicContact CG2-CD1 4.32Å; I261-L305 HydrophobicContact CG2-CD2 4Å; V292-L305 HydrophobicContact CG1-CD1 3.45Å; V292-L305 VanDerWaalsContact CG1-CD1 3.45Å; V292-L305 HydrophobicContact CG1-CG 4.3Å; L305-G316 CarbonylContact O-C 3.6Å; L305-G316 VanDerWaalsContact O-CA 3.29Å; L305-G316 WeakPolarHBondContact O-CA 3.27Å; L305-Y317 HydrophobicContact CD2-CD2 4.49Å; L305-Y317 PolarHBondContact N-O 3.11Å; L305-Y317 PolarHBondContact O-N 3.28Å
306	I	96.3	Very high	92.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.1	-173.7	-61.4	153.2	0	0	0	108.4	F6 I21 V292 V293 Y297 Q304 I314	F6-I306 HydrophobicContact CZ-CG1 4.04Å; I21-I306 HydrophobicContact CD1-CB 4.18Å; I21-I306 HydrophobicContact CD1-CD1 3.18Å; I21-I306 HydrophobicContact CD1-CG1 4.26Å; I21-I306 HydrophobicContact CD1-CG2 4.38Å; V292-I306 WeakPolarHBondContact CA-O 3.35Å; V293-I306 HydrophobicContact CG2-CB 4.13Å; V293-I306 HydrophobicContact CG2-CG2 4.39Å; V293-I306 PolarHBondContact N-O 3.44Å; V293-I306 PolarHBondContact O-N 2.96Å; Y297-I306 HydrophobicContact CD2-CD1 4.4Å; Y297-I306 HydrophobicContact CG-CD1 4.27Å; Q304-I306 HydrophobicContact CB-CG1 4.46Å; I306-I314 HydrophobicContact CG2-CG2 3.66Å
307	C	96.9	Very high	92.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.1	-177.8	-67.6	0	0	0	0	109.4	F285 I314 R315 Y317	F285-C307 HydrophobicContact CE1-CB 4.48Å; F285-C307 HydrophobicContact CE2-CB 3.9Å; F285-C307 HydrophobicContact CZ-CB 3.51Å; C307-I314 WeakPolarHBondContact O-CA 3.28Å; C307-R315 PolarHBondContact N-O 3.17Å; C307-R315 PolarHBondContact O-N 3.02Å; C307-Y317 HydrophobicContact CB-CE2 4.22Å
308	C	97	Very high	92.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.4	-177.8	-63	0	0	0	0	110	I14 V19 A290 G291 I314	I14-C308 HydrophobicContact CD1-CB 3.91Å; V19-C308 HydrophobicContact CG1-CB 4.46Å; A290-C308 PolarHBondContact N-O 2.91Å; G291-C308 PolarHBondContact N-O 3.19Å; G291-C308 PolarHBondContact O-N 2.76Å; C308-I314 HydrophobicContact CB-CG1 4.48Å
309	S	97.3	Very high	92.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	159.2	172.7	75.9	0	0	0	0	112.6	A288 D311 G312 E313	A288-S309 CarbonylContact O-C 3.54Å; A288-S309 VanDerWaalsContact O-CA 3.32Å; A288-S309 WeakPolarHBondContact O-CA 3.38Å; A288-S309 WeakPolarHBondContact O-CB 3.38Å; S309-D311 PolarHBondContact O-N 2.9Å; S309-G312 PolarHBondContact O-N 3.08Å; S309-E313 PolarHBondContact N-O 2.76Å; S309-E313 VanDerWaalsContact OG-CB 3.25Å; S309-E313 WeakPolarHBondContact OG-CB 3.45Å; S309-E313 PolarHBondContact OG-N 3.35Å; S309-E313 PolarHBondContact OG-O 3.42Å
310	V	96.6	Very high	91.9	Very high	33 Å²	33	27.1 Å²	27.1	20%	0.2	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.5	177.8	172.6	0	0	0	0	111.9	K13 I14 P16 A288 A290 G312	K13-V310 CarbonylContact C-O 3.59Å; K13-V310 VanDerWaalsContact CA-O 3.24Å; K13-V310 WeakPolarHBondContact CA-O 3.41Å; I14-V310 PolarHBondContact N-O 3.05Å; P16-V310 HydrophobicContact CG-CG2 4.16Å; A288-V310 HydrophobicContact CB-CB 4.47Å; A288-V310 HydrophobicContact CB-CG2 3.89Å; A288-V310 WeakPolarHBondContact O-CG2 3.38Å; A288-V310 PolarHBondContact O-N 2.85Å; A290-V310 HydrophobicContact CB-CG2 3.85Å; V310-G312 PolarHBondContact O-N 3.24Å
311	D	94.9	Very high	90.9	Very high	63 Å²	63	28.1 Å²	28.1	34%	0.337	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	5.7	176.4	-72.5	-33.7	0	0	0	113.5	K9 S287 S309	K9-D311 WeakPolarHBondContact CE-O 3.49Å; K9-D311 PolarHBondContact NZ-O 2.89Å; S287-D311 WeakPolarHBondContact CB-OD2 3.06Å; S287-D311 PolarHBondContact OG-OD2 2.85Å; S309-D311 PolarHBondContact O-N 2.9Å
312	G	92.7	Very high	89.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	82.8	16	177.3	0	0	0	0	0	114.9	L10 H12 S309 V310	L10-G312 PolarHBondContact N-O 3.3Å; H12-G312 WeakPolarHBondContact O-CA 3.42Å; S309-G312 PolarHBondContact O-N 3.08Å; V310-G312 PolarHBondContact O-N 3.24Å
313	E	95.6	Very high	87.3	Confident	25 Å²	25	31.4 Å²	31.4	12%	0.117	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.4	168.5	-170.6	-177.2	172.8	0	0	109.3	K9 F285 S286 S309 R315	K9-E313 HydrophobicContact CD-CB 3.92Å; K9-E313 HydrophobicContact CD-CG 4.49Å; F285-E313 HydrophobicContact CD1-CB 4.47Å; F285-E313 HydrophobicContact CD1-CG 4.39Å; F285-E313 HydrophobicContact CE1-CG 4.44Å; S286-E313 PolarHBondContact OG-OE2 2.75Å; S309-E313 PolarHBondContact N-O 2.76Å; S309-E313 VanDerWaalsContact OG-CB 3.25Å; S309-E313 WeakPolarHBondContact OG-CB 3.45Å; S309-E313 PolarHBondContact OG-N 3.35Å; S309-E313 PolarHBondContact OG-O 3.42Å; E313-R315 IonicContact OE1-CZ 3.55Å; E313-R315 IonicContact OE1-NE 2.66Å; E313-R315 PolarHBondContact OE1-NE 2.93Å; E313-R315 IonicContact OE1-NH2 3Å; E313-R315 PolarHBondContact OE1-NH2 3.43Å; E313-R315 IonicContact OE2-NH2 3.46Å
314	I	95	Very high	85.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.1	-179.4	-55.6	166.5	0	0	0	108.2	F6 T7 L8 L10 L31 I306 C307 C308	F6-I314 HydrophobicContact CE2-CG2 4.16Å; T7-I314 CarbonylContact C-O 3.55Å; T7-I314 WeakPolarHBondContact CA-O 3.34Å; L8-I314 HydrophobicContact CB-CB 4.36Å; L8-I314 PolarHBondContact N-O 3.44Å; L8-I314 PolarHBondContact O-N 3.05Å; L10-I314 HydrophobicContact CD1-CD1 3.38Å; L10-I314 HydrophobicContact CD1-CG1 4.49Å; L10-I314 HydrophobicContact CD2-CD1 4.45Å; L10-I314 HydrophobicContact CG-CD1 3.67Å; L31-I314 HydrophobicContact CD2-CD1 3.37Å; L31-I314 HydrophobicContact CD2-CG1 4.29Å; I306-I314 HydrophobicContact CG2-CG2 3.66Å; C307-I314 WeakPolarHBondContact O-CA 3.28Å; C308-I314 HydrophobicContact CB-CG1 4.48Å
315	R	95.4	Very high	83.2	Confident	39 Å²	39	37.2 Å²	37.2	15%	0.147	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.7	172.7	-57.7	179.2	-173	170.3	3.1	109.7	P4 F6 T7 D283 N284 F285 C307 E313 Y317	P4-R315 HydrophobicContact CB-CB 4.05Å; P4-R315 HydrophobicContact CB-CG 4.41Å; F6-R315 WeakPolarHBondContact O-CA 3.26Å; T7-R315 HydrophobicContact CG2-CG 4.01Å; D283-R315 IonicContact OD1-NH1 2.8Å; D283-R315 PolarHBondContact OD1-NH1 3.32Å; D283-R315 IonicContact OD2-NH1 3.91Å; D283-R315 PolarHBondContact OD2-NH1 3.19Å; N284-R315 PolarHBondContact O-NH1 3.3Å; N284-R315 VanDerWaalsContact O-NH1 3.07Å; F285-R315 HydrophobicContact CE1-CB 4.21Å; F285-R315 HydrophobicContact CE1-CG 3.72Å; F285-R315 HydrophobicContact CZ-CB 3.82Å; F285-R315 HydrophobicContact CZ-CG 3.74Å; C307-R315 PolarHBondContact N-O 3.17Å; C307-R315 PolarHBondContact O-N 3.02Å; E313-R315 IonicContact OE1-CZ 3.55Å; E313-R315 IonicContact OE1-NE 2.66Å; E313-R315 PolarHBondContact OE1-NE 2.93Å; E313-R315 IonicContact OE1-NH2 3Å; E313-R315 PolarHBondContact OE1-NH2 3.43Å; E313-R315 IonicContact OE2-NH2 3.46Å; R315-Y317 HydrophobicContact CB-CE2 3.81Å; R315-Y317 WeakPolarHBondContact CB-OH 3.42Å; R315-Y317 VanDerWaalsContact CD-OH 3.23Å; R315-Y317 WeakPolarHBondContact CD-OH 3.36Å
316	G	93.7	Very high	80.7	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.4	174.1	0	0	0	0	0	111.9	P4 V5 F6 L305	P4-G316 CarbonylContact C-O 3.49Å; P4-G316 WeakPolarHBondContact CA-O 3.24Å; V5-G316 PolarHBondContact N-O 3.48Å; F6-G316 PolarHBondContact O-N 2.71Å; L305-G316 CarbonylContact O-C 3.6Å; L305-G316 VanDerWaalsContact O-CA 3.29Å; L305-G316 WeakPolarHBondContact O-CA 3.27Å
317	Y	93	Very high	78.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.6	178.3	-51.3	-97	0	0	0	109.2	P4 F281 D283 Q304 L305 C307 R315	P4-Y317 HydrophobicContact CB-CD1 4.4Å; P4-Y317 HydrophobicContact CB-CE1 3.91Å; F281-Y317 HydrophobicContact CZ-CD1 4.02Å; F281-Y317 AromaticContact CZ-CE1 3.86Å; F281-Y317 HydrophobicContact CZ-CE1 3.86Å; D283-Y317 PolarHBondContact OD2-OH 3.44Å; Q304-Y317 WeakPolarHBondContact CA-O 3.5Å; L305-Y317 HydrophobicContact CD2-CD2 4.49Å; L305-Y317 PolarHBondContact N-O 3.11Å; L305-Y317 PolarHBondContact O-N 3.28Å; C307-Y317 HydrophobicContact CB-CE2 4.22Å; R315-Y317 HydrophobicContact CB-CE2 3.81Å; R315-Y317 WeakPolarHBondContact CB-OH 3.42Å; R315-Y317 VanDerWaalsContact CD-OH 3.23Å; R315-Y317 WeakPolarHBondContact CD-OH 3.36Å
318	L	90	Very high	75.7	Confident	46 Å²	46	49.1 Å²	49.1	24%	0.241	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-90.4	152.2	166.2	-83.5	172	0	0	0	109.5	V5 R298 H302 Q304	V5-L318 HydrophobicContact CG1-CD1 4.34Å; V5-L318 HydrophobicContact CG2-CB 3.92Å; V5-L318 HydrophobicContact CG2-CD1 4.08Å; V5-L318 HydrophobicContact CG2-CG 3.93Å; R298-L318 VanDerWaalsContact NH2-CG 3.33Å; H302-L318 HydrophobicContact CB-CD2 3.83Å; Q304-L318 HydrophobicContact CG-CD2 3.57Å; Q304-L318 HydrophobicContact CG-CG 4.17Å
319	P	84.3	Confident	73.1	Confident	33 Å²	33	55 Å²	55	21%	0.214	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-64	147	171.1	31	-35.4	0	0	0	110.1	F250 D251 L252 T321	F250-P319 HydrophobicContact CE1-CB 4.31Å; D251-P319 WeakPolarHBondContact O-CB 3.44Å; L252-P319 CarbonylContact O-C 3.47Å; L252-P319 VanDerWaalsContact O-CA 3.3Å; L252-P319 WeakPolarHBondContact O-CA 3.48Å; P319-T321 PolarHBondContact O-N 3.08Å
320	G	71.9	Confident	70.8	Confident	1 Å²	1	57 Å²	57	1%	0.01	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-63.4	128	179.9	0	0	0	0	0	111.3	L252 S254	L252-G320 PolarHBondContact O-N 3.43Å; S254-G320 WeakPolarHBondContact CB-O 3.05Å; S254-G320 PolarHBondContact OG-O 3.18Å
321	T	64.8	Low	68.7	Low	81 Å²	81	60 Å²	60	50%	0.497	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-64.2	150.3	174.4	54.5	0	0	0	0	111.7	P319 E323 M324	P319-T321 PolarHBondContact O-N 3.08Å; T321-E323 PolarHBondContact O-N 3.03Å; T321-E323 VanDerWaalsContact O-N 3.08Å; T321-M324 WeakPolarHBondContact O-CA 3.19Å; T321-M324 VanDerWaalsContact O-CB 3.31Å; T321-M324 WeakPolarHBondContact O-CB 3.3Å; T321-M324 PolarHBondContact O-N 3Å
322	A	52	Low	66.9	Low	70 Å²	70	59.1 Å²	59.1	58%	0.579	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-57.1	-25.5	178.5	0	0	0	0	0	114.1	K325	A322-K325 WeakPolarHBondContact O-CB 3.49Å; A322-K325 WeakPolarHBondContact O-CG 3.36Å; A322-K325 PolarHBondContact O-N 2.92Å
323	E	47.2	Very low	65.2	Low	179 Å²	179	63.4 Å²	63.4	84%	0.836	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-73.8	-28.3	173.4	-67.9	-177.7	168.4	0	0	112.7	T321 K325	T321-E323 PolarHBondContact O-N 3.03Å; T321-E323 VanDerWaalsContact O-N 3.08Å; E323-K325 PolarHBondContact O-N 3.39Å
324	M	50.8	Low	63.6	Low	91 Å²	91	66 Å²	66	45%	0.448	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-72.1	-6.8	168.4	-79.8	-170.7	166.1	0	0	112.6	T321 G326 N327 L328	T321-M324 WeakPolarHBondContact O-CA 3.19Å; T321-M324 VanDerWaalsContact O-CB 3.31Å; T321-M324 WeakPolarHBondContact O-CB 3.3Å; T321-M324 PolarHBondContact O-N 3Å; M324-G326 PolarHBondContact O-N 2.85Å; M324-G326 VanDerWaalsContact O-N 3.14Å; M324-N327 CarbonylContact O-C 3.53Å; M324-N327 PolarHBondContact O-N 3.05Å; M324-L328 HydrophobicContact CB-CD1 3.56Å; M324-L328 HydrophobicContact CB-CG 3.89Å; M324-L328 VanDerWaalsContact O-CB 3.23Å; M324-L328 WeakPolarHBondContact O-CB 3.36Å; M324-L328 WeakPolarHBondContact O-CD1 3.2Å; M324-L328 WeakPolarHBondContact O-CG 3.48Å; M324-L328 PolarHBondContact O-N 3.43Å
325	K	46.4	Very low	62.2	Low	119 Å²	119	71.9 Å²	71.9	52%	0.517	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-56.5	-28.6	170.8	-77.3	-178.1	171.4	178.6	0	112.8	A322 E323	A322-K325 WeakPolarHBondContact O-CB 3.49Å; A322-K325 WeakPolarHBondContact O-CG 3.36Å; A322-K325 PolarHBondContact O-N 2.92Å; E323-K325 PolarHBondContact O-N 3.39Å
326	G	43.3	Very low	61.1	Low	60 Å²	60	73.5 Å²	73.5	62%	0.619	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-82.2	-18.3	173.8	0	0	0	0	0	114.9	M324	M324-G326 PolarHBondContact O-N 2.85Å; M324-G326 VanDerWaalsContact O-N 3.14Å
327	N	42.1	Very low	60.2	Low	134 Å²	134	78.2 Å²	78.2	72%	0.717	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-5.3	-173.8	-78.8	-15.5	0	0	0	114.1	M324	M324-N327 CarbonylContact O-C 3.53Å; M324-N327 PolarHBondContact O-N 3.05Å
328	L	45	Very low	59.7	Low	58 Å²	58	83.4 Å²	83.4	30%	0.304	46%	0.461	S	S	.	.	S	Bend	trans	-85.2	-15.5	172.1	-81.9	157.9	0	0	0	112.1	L2 M324 D330	L2-L328 HydrophobicContact CD2-CD2 4.07Å; L2-L328 HydrophobicContact CG-CD2 3.97Å; M324-L328 HydrophobicContact CB-CD1 3.56Å; M324-L328 HydrophobicContact CB-CG 3.89Å; M324-L328 VanDerWaalsContact O-CB 3.23Å; M324-L328 WeakPolarHBondContact O-CB 3.36Å; M324-L328 WeakPolarHBondContact O-CD1 3.2Å; M324-L328 WeakPolarHBondContact O-CG 3.48Å; M324-L328 PolarHBondContact O-N 3.43Å; L328-D330 PolarHBondContact O-N 2.77Å
329	M	44.3	Very low	59.5	Low	122 Å²	122	88.8 Å²	88.8	60%	0.601	48%	0.478	S	S	*	.	S	Bend	trans	-68.2	78.3	152.4	-86	169.3	164.1	0	0	107.2	T331 E334	M329-T331 PolarHBondContact O-N 2.89Å; M329-T331 VanDerWaalsContact O-N 3.14Å; M329-E334 HydrophobicContact CB-CG 4.1Å; M329-E334 HydrophobicContact CG-CG 4.21Å
330	D	48.5	Very low	59.6	Low	44 Å²	44	93.8 Å²	93.8	24%	0.235	50%	0.498	C	S	.	.			trans	-52.2	122.2	169.2	-132.9	-34.9	0	0	0	106.4	M1 L328 S332 V333 E334	M1-D330 WeakPolarHBondContact CG-OD2 3.38Å; M1-D330 PolarHBondContact N-OD2 3.35Å; L328-D330 PolarHBondContact O-N 2.77Å; D330-S332 WeakPolarHBondContact CB-OG 3.43Å; D330-S332 CarbonylContact O-C 3.54Å; D330-S332 PolarHBondContact O-N 3.02Å; D330-V333 HydrophobicContact CB-CG2 4.04Å; D330-V333 PolarHBondContact O-N 3.25Å; D330-E334 PolarHBondContact O-N 3.17Å
331	T	51.5	Low	60.5	Low	94 Å²	94	98.6 Å²	98.6	58%	0.577	52%	0.523	S	S	*	.	H	α-helix	trans	-47.1	-25.3	177.4	-22.3	0	0	0	0	112	M329 Q335	M329-T331 PolarHBondContact O-N 2.89Å; M329-T331 VanDerWaalsContact O-N 3.14Å; T331-Q335 WeakPolarHBondContact O-CB 3.31Å; T331-Q335 VanDerWaalsContact O-CD 3.3Å; T331-Q335 WeakPolarHBondContact O-CG 3.26Å; T331-Q335 PolarHBondContact O-N 2.95Å
332	S	57.1	Low	61.7	Low	46 Å²	46	97.7 Å²	97.7	32%	0.322	52%	0.52	S	S	.	.	H	α-helix	trans	-70.6	-41.5	173.6	56.7	0	0	0	0	114.7	D330 Q335 D336	D330-S332 WeakPolarHBondContact CB-OG 3.43Å; D330-S332 CarbonylContact O-C 3.54Å; D330-S332 PolarHBondContact O-N 3.02Å; S332-Q335 PolarHBondContact O-N 3.47Å; S332-D336 WeakPolarHBondContact O-CB 3.41Å; S332-D336 PolarHBondContact O-N 2.92Å
333	V	57.6	Low	63.7	Low	89 Å²	89	99.3 Å²	99.3	54%	0.539	52%	0.516	S	S	.	.	H	α-helix	trans	-70.9	-41.3	178	179.2	0	0	0	0	110.3	D330 D336 L337	D330-V333 HydrophobicContact CB-CG2 4.04Å; D330-V333 PolarHBondContact O-N 3.25Å; V333-D336 PolarHBondContact O-N 3.4Å; V333-L337 WeakPolarHBondContact O-CB 3.27Å; V333-L337 PolarHBondContact O-N 3.48Å
334	E	61.4	Low	65.8	Low	81 Å²	81	97.4 Å²	97.4	38%	0.379	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-41.8	172.1	-69.6	-167.4	152.9	0	0	111.6	M329 D330 D336 L337 I338	M329-E334 HydrophobicContact CB-CG 4.1Å; M329-E334 HydrophobicContact CG-CG 4.21Å; D330-E334 PolarHBondContact O-N 3.17Å; E334-D336 VanDerWaalsContact C-N 3.33Å; E334-D336 PolarHBondContact O-N 3Å; E334-L337 PolarHBondContact O-N 3.39Å; E334-I338 WeakPolarHBondContact O-CB 3.45Å; E334-I338 WeakPolarHBondContact O-CD1 3.09Å; E334-I338 WeakPolarHBondContact O-CG1 3.47Å; E334-I338 PolarHBondContact O-N 2.98Å
335	Q	65.2	Low	67.9	Low	122 Å²	122	99.8 Å²	99.8	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-63.4	-37.9	174.4	-81.4	172.3	8.1	0	0	112.5	T331 S332 I338 R339	T331-Q335 WeakPolarHBondContact O-CB 3.31Å; T331-Q335 VanDerWaalsContact O-CD 3.3Å; T331-Q335 WeakPolarHBondContact O-CG 3.26Å; T331-Q335 PolarHBondContact O-N 2.95Å; S332-Q335 PolarHBondContact O-N 3.47Å; Q335-I338 PolarHBondContact O-N 3.2Å; Q335-R339 VanDerWaalsContact O-CB 3.23Å; Q335-R339 WeakPolarHBondContact O-CB 3.35Å; Q335-R339 PolarHBondContact O-N 3.39Å
336	D	72.4	Confident	70.1	Confident	73 Å²	73	98.1 Å²	98.1	39%	0.39	51%	0.507	S	S	.	.	H	α-helix	trans	-67.8	-42.4	175.3	-84.4	-27.2	0	0	0	111.4	S332 V333 E334 R339 E340	S332-D336 WeakPolarHBondContact O-CB 3.41Å; S332-D336 PolarHBondContact O-N 2.92Å; V333-D336 PolarHBondContact O-N 3.4Å; E334-D336 VanDerWaalsContact C-N 3.33Å; E334-D336 PolarHBondContact O-N 3Å; D336-R339 CarbonylContact O-C 3.51Å; D336-R339 WeakPolarHBondContact O-CB 3.29Å; D336-R339 PolarHBondContact O-N 3.46Å; D336-R339 IonicContact OD1-CZ 2.87Å; D336-R339 VanDerWaalsContact OD1-CZ 3.32Å; D336-R339 IonicContact OD1-NE 2.7Å; D336-R339 PolarHBondContact OD1-NE 3.2Å; D336-R339 IonicContact OD1-NH2 3.21Å; D336-R339 PolarHBondContact OD1-NH2 3.1Å; D336-E340 WeakPolarHBondContact O-CG 3.05Å; D336-E340 PolarHBondContact O-N 3.31Å
337	L	75.7	Confident	72.5	Confident	99 Å²	99	99.1 Å²	99.1	52%	0.518	50%	0.498	S	S	.	.	H	α-helix	trans	-62.4	-44.8	173.8	-171.2	73.5	0	0	0	111.2	V333 E334 R339 E340 L341	V333-L337 WeakPolarHBondContact O-CB 3.27Å; V333-L337 PolarHBondContact O-N 3.48Å; E334-L337 PolarHBondContact O-N 3.39Å; L337-R339 VanDerWaalsContact C-N 3.27Å; L337-R339 PolarHBondContact O-N 3.48Å; L337-E340 PolarHBondContact O-N 3.23Å; L337-L341 HydrophobicContact CD2-CD1 4.5Å; L337-L341 HydrophobicContact CG-CD1 4.04Å; L337-L341 VanDerWaalsContact O-CB 3.32Å; L337-L341 WeakPolarHBondContact O-CB 3.43Å; L337-L341 VanDerWaalsContact O-CG 3.23Å; L337-L341 WeakPolarHBondContact O-CG 3.34Å; L337-L341 PolarHBondContact O-N 3.4Å
338	I	81.6	Confident	75	Confident	109 Å²	109	97.3 Å²	97.3	56%	0.559	49%	0.488	S	S	*	.	H	α-helix	trans	-60.4	-40.9	174.5	-69.8	162.8	0	0	0	110	E334 Q335 S342	E334-I338 WeakPolarHBondContact O-CB 3.45Å; E334-I338 WeakPolarHBondContact O-CD1 3.09Å; E334-I338 WeakPolarHBondContact O-CG1 3.47Å; E334-I338 PolarHBondContact O-N 2.98Å; Q335-I338 PolarHBondContact O-N 3.2Å; I338-S342 VanDerWaalsContact O-CB 3.23Å; I338-S342 WeakPolarHBondContact O-CB 3.36Å; I338-S342 PolarHBondContact O-N 3.4Å; I338-S342 PolarHBondContact O-OG 2.99Å
339	R	87	Confident	77.3	Confident	159 Å²	159	98 Å²	98	60%	0.6	49%	0.491	S	S	*	.	H	α-helix	trans	-64.5	-47.8	176.6	-177.5	172.7	63	154.7	-2.2	111.2	Q335 D336 L337 S342 Q343	Q335-R339 VanDerWaalsContact O-CB 3.23Å; Q335-R339 WeakPolarHBondContact O-CB 3.35Å; Q335-R339 PolarHBondContact O-N 3.39Å; D336-R339 CarbonylContact O-C 3.51Å; D336-R339 WeakPolarHBondContact O-CB 3.29Å; D336-R339 PolarHBondContact O-N 3.46Å; D336-R339 IonicContact OD1-CZ 2.87Å; D336-R339 VanDerWaalsContact OD1-CZ 3.32Å; D336-R339 IonicContact OD1-NE 2.7Å; D336-R339 PolarHBondContact OD1-NE 3.2Å; D336-R339 IonicContact OD1-NH2 3.21Å; D336-R339 PolarHBondContact OD1-NH2 3.1Å; L337-R339 VanDerWaalsContact C-N 3.27Å; L337-R339 PolarHBondContact O-N 3.48Å; R339-S342 WeakPolarHBondContact CA-OG 3.29Å; R339-S342 PolarHBondContact O-N 3.44Å; R339-S342 PolarHBondContact O-OG 2.95Å; R339-Q343 WeakPolarHBondContact O-CB 3.03Å; R339-Q343 PolarHBondContact O-N 2.87Å
340	E	86.1	Confident	79.7	Confident	138 Å²	138	95.7 Å²	95.7	65%	0.645	48%	0.481	S	S	*	.	H	α-helix	trans	-60.9	-45.1	176.3	-75.3	-169.8	171.8	0	0	112	D336 L337 S342 Q343 K344	D336-E340 WeakPolarHBondContact O-CG 3.05Å; D336-E340 PolarHBondContact O-N 3.31Å; L337-E340 PolarHBondContact O-N 3.23Å; E340-S342 VanDerWaalsContact C-N 3.33Å; E340-S342 PolarHBondContact O-N 3.19Å; E340-Q343 WeakPolarHBondContact O-CB 3.43Å; E340-Q343 PolarHBondContact O-N 3.48Å; E340-K344 WeakPolarHBondContact O-CB 3.27Å; E340-K344 PolarHBondContact O-N 2.82Å
341	L	90.1	Very high	81.8	Confident	102 Å²	102	97.5 Å²	97.5	53%	0.534	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-39.4	175.7	-72.1	169.7	0	0	0	111.7	L337 K344 K345	L337-L341 HydrophobicContact CD2-CD1 4.5Å; L337-L341 HydrophobicContact CG-CD1 4.04Å; L337-L341 VanDerWaalsContact O-CB 3.32Å; L337-L341 WeakPolarHBondContact O-CB 3.43Å; L337-L341 VanDerWaalsContact O-CG 3.23Å; L337-L341 WeakPolarHBondContact O-CG 3.34Å; L337-L341 PolarHBondContact O-N 3.4Å; L341-K344 PolarHBondContact O-N 2.89Å; L341-K345 WeakPolarHBondContact O-CB 3.14Å; L341-K345 PolarHBondContact O-N 3.26Å
342	S	91.5	Very high	83.7	Confident	63 Å²	63	97.2 Å²	97.2	44%	0.441	48%	0.482	S	S	.	.	H	α-helix	trans	-66.9	-38.2	175.4	77.5	0	0	0	0	112.2	I338 R339 E340 K345 Q346	I338-S342 VanDerWaalsContact O-CB 3.23Å; I338-S342 WeakPolarHBondContact O-CB 3.36Å; I338-S342 PolarHBondContact O-N 3.4Å; I338-S342 PolarHBondContact O-OG 2.99Å; R339-S342 WeakPolarHBondContact CA-OG 3.29Å; R339-S342 PolarHBondContact O-N 3.44Å; R339-S342 PolarHBondContact O-OG 2.95Å; E340-S342 VanDerWaalsContact C-N 3.33Å; E340-S342 PolarHBondContact O-N 3.19Å; S342-K345 WeakPolarHBondContact O-CB 3.4Å; S342-K345 PolarHBondContact O-N 2.79Å; S342-Q346 WeakPolarHBondContact O-CB 3.46Å; S342-Q346 PolarHBondContact O-N 2.97Å
343	Q	92.6	Very high	85.4	Confident	104 Å²	104	102 Å²	102	49%	0.486	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-42.4	173.9	-173.2	62.7	43.9	0	0	110.6	R339 E340 K345 Q346 N347	R339-Q343 WeakPolarHBondContact O-CB 3.03Å; R339-Q343 PolarHBondContact O-N 2.87Å; E340-Q343 WeakPolarHBondContact O-CB 3.43Å; E340-Q343 PolarHBondContact O-N 3.48Å; Q343-K345 PolarHBondContact O-N 2.82Å; Q343-Q346 PolarHBondContact O-N 3.09Å; Q343-N347 PolarHBondContact NE2-OD1 3.15Å; Q343-N347 PolarHBondContact O-N 2.73Å; Q343-N347 PolarHBondContact O-OD1 2.83Å
344	K	92.1	Very high	86.8	Confident	138 Å²	138	102 Å²	102	60%	0.6	49%	0.49	S	S	*	.	H	α-helix	trans	-61.9	-43	175.1	-168	172.1	-175.7	174.6	0	111.3	E340 L341 Q346 N347 L348	E340-K344 WeakPolarHBondContact O-CB 3.27Å; E340-K344 PolarHBondContact O-N 2.82Å; L341-K344 PolarHBondContact O-N 2.89Å; K344-Q346 VanDerWaalsContact C-N 3.34Å; K344-Q346 PolarHBondContact O-N 2.72Å; K344-N347 PolarHBondContact O-N 3.14Å; K344-L348 WeakPolarHBondContact O-CG 3.42Å; K344-L348 PolarHBondContact O-N 2.8Å
345	K	93.6	Very high	88	Confident	142 Å²	142	105.1 Å²	105.1	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-58.8	-44.8	172.1	177.1	-176.7	174.6	-177.8	0	111.6	L341 S342 Q343 L348 L349	L341-K345 WeakPolarHBondContact O-CB 3.14Å; L341-K345 PolarHBondContact O-N 3.26Å; S342-K345 WeakPolarHBondContact O-CB 3.4Å; S342-K345 PolarHBondContact O-N 2.79Å; Q343-K345 PolarHBondContact O-N 2.82Å; K345-L348 PolarHBondContact O-N 2.9Å; K345-L349 HydrophobicContact CG-CD1 4.19Å; K345-L349 WeakPolarHBondContact O-CG 3.47Å; K345-L349 PolarHBondContact O-N 2.93Å
346	Q	94.1	Very high	89.1	Confident	83 Å²	83	104.1 Å²	104.1	39%	0.388	50%	0.495	S	S	.	.	H	α-helix	trans	-64.9	-39.7	178.6	-174	63.2	12.1	0	0	112	S342 Q343 K344 L349 L350	S342-Q346 WeakPolarHBondContact O-CB 3.46Å; S342-Q346 PolarHBondContact O-N 2.97Å; Q343-Q346 PolarHBondContact O-N 3.09Å; K344-Q346 VanDerWaalsContact C-N 3.34Å; K344-Q346 PolarHBondContact O-N 2.72Å; Q346-L349 PolarHBondContact O-N 3.06Å; Q346-L350 WeakPolarHBondContact O-CG 3.43Å; Q346-L350 PolarHBondContact O-N 3.46Å
347	N	93.7	Very high	89.6	Confident	81 Å²	81	106.8 Å²	106.8	43%	0.433	51%	0.505	S	S	.	.	H	α-helix	trans	-62.8	-43.8	175.4	-66.3	-8.2	0	0	0	111.4	Q343 K344 L349 L350 E351	Q343-N347 PolarHBondContact NE2-OD1 3.15Å; Q343-N347 PolarHBondContact O-N 2.73Å; Q343-N347 PolarHBondContact O-OD1 2.83Å; K344-N347 PolarHBondContact O-N 3.14Å; N347-L349 VanDerWaalsContact C-N 3.33Å; N347-L349 PolarHBondContact O-N 3.25Å; N347-L350 WeakPolarHBondContact O-CB 3.49Å; N347-L350 PolarHBondContact O-N 3.1Å; N347-E351 PolarHBondContact O-N 2.66Å
348	L	94.1	Very high	89.7	Confident	97 Å²	97	106.8 Å²	106.8	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-64.3	-36.8	175.7	-69.9	169.7	0	0	0	112.3	K344 K345 L350 E351 L352	K344-L348 WeakPolarHBondContact O-CG 3.42Å; K344-L348 PolarHBondContact O-N 2.8Å; K345-L348 PolarHBondContact O-N 2.9Å; L348-L350 VanDerWaalsContact C-N 3.35Å; L348-E351 PolarHBondContact O-N 2.74Å; L348-L352 WeakPolarHBondContact O-CB 3.36Å; L348-L352 PolarHBondContact O-N 2.79Å
349	L	94.3	Very high	89.5	Confident	71 Å²	71	103.9 Å²	103.9	37%	0.372	50%	0.498	S	S	.	.	H	α-helix	trans	-66.7	-35.9	174	-75.9	168.2	0	0	0	112.3	K345 Q346 N347 R353	K345-L349 HydrophobicContact CG-CD1 4.19Å; K345-L349 WeakPolarHBondContact O-CG 3.47Å; K345-L349 PolarHBondContact O-N 2.93Å; Q346-L349 PolarHBondContact O-N 3.06Å; N347-L349 VanDerWaalsContact C-N 3.33Å; N347-L349 PolarHBondContact O-N 3.25Å; L349-R353 WeakPolarHBondContact O-CG 3.21Å; L349-R353 PolarHBondContact O-N 3.36Å; L349-R353 VanDerWaalsContact O-N 3.1Å
350	L	93.4	Very high	88.8	Confident	75 Å²	75	103.3 Å²	103.3	39%	0.393	50%	0.5	S	S	.	.	H	α-helix	trans	-66.9	-43.1	173.2	-73.7	166.3	0	0	0	111.2	Q346 N347 L348 L352 R353 N354	Q346-L350 WeakPolarHBondContact O-CG 3.43Å; Q346-L350 PolarHBondContact O-N 3.46Å; N347-L350 WeakPolarHBondContact O-CB 3.49Å; N347-L350 PolarHBondContact O-N 3.1Å; L348-L350 VanDerWaalsContact C-N 3.35Å; L350-L352 VanDerWaalsContact C-N 3.34Å; L350-L352 PolarHBondContact O-N 2.74Å; L350-R353 WeakPolarHBondContact O-CB 3.45Å; L350-R353 PolarHBondContact O-N 2.91Å; L350-N354 PolarHBondContact O-N 2.78Å; L350-N354 PolarHBondContact O-OD1 2.76Å
351	E	92.1	Very high	87.8	Confident	82 Å²	82	99.7 Å²	99.7	38%	0.383	49%	0.494	S	S	.	.	H	α-helix	trans	-60.7	-43	176	-172.3	174.8	-163.8	0	0	111.8	N347 L348 R353 N354 Y355	N347-E351 PolarHBondContact O-N 2.66Å; L348-E351 PolarHBondContact O-N 2.74Å; E351-R353 PolarHBondContact O-N 2.76Å; E351-N354 WeakPolarHBondContact O-CB 3.38Å; E351-N354 PolarHBondContact O-N 2.96Å; E351-Y355 HydrophobicContact CG-CD2 4.26Å; E351-Y355 HydrophobicContact CG-CE2 3.57Å; E351-Y355 WeakPolarHBondContact O-CD2 3.42Å; E351-Y355 PolarHBondContact O-N 2.85Å; E351-Y355 PolarHBondContact OE1-OH 2.93Å; E351-Y355 VanDerWaalsContact OE1-OH 3.05Å
352	L	92.4	Very high	86.4	Confident	87 Å²	87	102.4 Å²	102.4	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-61	-44.4	174.5	-171.3	156.1	0	0	0	111.8	L348 L350 N354 Y355 E356	L348-L352 WeakPolarHBondContact O-CB 3.36Å; L348-L352 PolarHBondContact O-N 2.79Å; L350-L352 VanDerWaalsContact C-N 3.34Å; L350-L352 PolarHBondContact O-N 2.74Å; L352-N354 VanDerWaalsContact C-N 3.29Å; L352-N354 PolarHBondContact O-N 3.47Å; L352-Y355 PolarHBondContact O-N 3.28Å; L352-E356 HydrophobicContact CD2-CG 3.98Å; L352-E356 VanDerWaalsContact CD2-OE1 3.22Å; L352-E356 WeakPolarHBondContact CD2-OE1 3.23Å; L352-E356 PolarHBondContact O-N 2.82Å
353	R	92.1	Very high	84.8	Confident	147 Å²	147	106.8 Å²	106.8	56%	0.555	52%	0.522	S	S	*	.	H	α-helix	trans	-59.8	-40.5	175.2	-74.9	177.3	-172	175.3	2.9	111.9	L349 L350 E351 Y355 E356 E357	L349-R353 WeakPolarHBondContact O-CG 3.21Å; L349-R353 PolarHBondContact O-N 3.36Å; L349-R353 VanDerWaalsContact O-N 3.1Å; L350-R353 WeakPolarHBondContact O-CB 3.45Å; L350-R353 PolarHBondContact O-N 2.91Å; E351-R353 PolarHBondContact O-N 2.76Å; R353-Y355 VanDerWaalsContact C-N 3.34Å; R353-Y355 PolarHBondContact O-N 2.79Å; R353-E356 PolarHBondContact O-N 2.92Å; R353-E357 WeakPolarHBondContact O-CB 3.32Å; R353-E357 PolarHBondContact O-N 2.93Å
354	N	87.4	Confident	83.1	Confident	88 Å²	88	105.4 Å²	105.4	47%	0.471	53%	0.528	S	S	.	.	H	α-helix	trans	-62.3	-42.3	177	-63.2	-14.6	0	0	0	111.2	L350 E351 L352 E357 N358	L350-N354 PolarHBondContact O-N 2.78Å; L350-N354 PolarHBondContact O-OD1 2.76Å; E351-N354 WeakPolarHBondContact O-CB 3.38Å; E351-N354 PolarHBondContact O-N 2.96Å; L352-N354 VanDerWaalsContact C-N 3.29Å; L352-N354 PolarHBondContact O-N 3.47Å; N354-E357 PolarHBondContact O-N 3.02Å; N354-N358 WeakPolarHBondContact O-CB 3.21Å; N354-N358 PolarHBondContact O-N 3.35Å; N354-N358 PolarHBondContact O-ND2 2.91Å
355	Y	86.3	Confident	81	Confident	147 Å²	147	104.1 Å²	104.1	58%	0.576	54%	0.536	S	S	*	.	H	α-helix	trans	-65.8	-40.3	176.2	-64.2	-39.5	0	0	0	113	E351 L352 R353 A359	E351-Y355 HydrophobicContact CG-CD2 4.26Å; E351-Y355 HydrophobicContact CG-CE2 3.57Å; E351-Y355 WeakPolarHBondContact O-CD2 3.42Å; E351-Y355 PolarHBondContact O-N 2.85Å; E351-Y355 PolarHBondContact OE1-OH 2.93Å; E351-Y355 VanDerWaalsContact OE1-OH 3.05Å; L352-Y355 PolarHBondContact O-N 3.28Å; R353-Y355 VanDerWaalsContact C-N 3.34Å; R353-Y355 PolarHBondContact O-N 2.79Å; Y355-A359 WeakPolarHBondContact O-CB 3.47Å; Y355-A359 PolarHBondContact O-N 2.89Å
356	E	88.4	Confident	79.2	Confident	102 Å²	102	102.6 Å²	102.6	48%	0.477	54%	0.541	S	S	.	.	H	α-helix	trans	-65.3	-38.5	175.7	-72.3	-176.3	173.1	0	0	112.8	L352 R353 K360	L352-E356 HydrophobicContact CD2-CG 3.98Å; L352-E356 VanDerWaalsContact CD2-OE1 3.22Å; L352-E356 WeakPolarHBondContact CD2-OE1 3.23Å; L352-E356 PolarHBondContact O-N 2.82Å; R353-E356 PolarHBondContact O-N 2.92Å; E356-K360 WeakPolarHBondContact O-CG 3.49Å; E356-K360 PolarHBondContact O-N 2.86Å
357	E	83.4	Confident	77.2	Confident	128 Å²	128	105 Å²	105	60%	0.598	56%	0.556	S	S	*	*	H	α-helix	trans	-68.3	-43.2	177.4	-169.1	171.5	-178.2	0	0	111.4	R353 N354 A359 K360 A361	R353-E357 WeakPolarHBondContact O-CB 3.32Å; R353-E357 PolarHBondContact O-N 2.93Å; N354-E357 PolarHBondContact O-N 3.02Å; E357-A359 PolarHBondContact O-N 2.92Å; E357-K360 PolarHBondContact O-N 3.33Å; E357-A361 PolarHBondContact O-N 3.15Å
358	N	78.5	Confident	75	Confident	99 Å²	99	107 Å²	107	53%	0.529	57%	0.567	S	S	.	*	H	α-helix	trans	-61.9	-43.3	176.1	-71	-12	0	0	0	112.2	N354 K360 A361 E362	N354-N358 WeakPolarHBondContact O-CB 3.21Å; N354-N358 PolarHBondContact O-N 3.35Å; N354-N358 PolarHBondContact O-ND2 2.91Å; N358-K360 VanDerWaalsContact C-N 3.31Å; N358-K360 PolarHBondContact O-N 2.95Å; N358-A361 PolarHBondContact O-N 2.69Å; N358-E362 PolarHBondContact O-N 3.43Å
359	A	76.9	Confident	72.8	Confident	49 Å²	49	112 Å²	112	41%	0.405	59%	0.587	S	S	.	*	H	α-helix	trans	-64.1	-35.4	177.5	0	0	0	0	0	112.5	Y355 E357 L363	Y355-A359 WeakPolarHBondContact O-CB 3.47Å; Y355-A359 PolarHBondContact O-N 2.89Å; E357-A359 PolarHBondContact O-N 2.92Å; A359-L363 WeakPolarHBondContact O-CD1 3.5Å
360	K	72.6	Confident	70.6	Confident	146 Å²	146	111.8 Å²	111.8	64%	0.635	60%	0.596	S	S	*	*	H	α-helix	trans	-69.9	-34.5	174.4	-73.3	171.1	-173.5	166.5	0	112.2	E356 E357 N358	E356-K360 WeakPolarHBondContact O-CG 3.49Å; E356-K360 PolarHBondContact O-N 2.86Å; E357-K360 PolarHBondContact O-N 3.33Å; N358-K360 VanDerWaalsContact C-N 3.31Å; N358-K360 PolarHBondContact O-N 2.95Å
361	A	64.9	Low	68.6	Low	63 Å²	63	110.2 Å²	110.2	52%	0.521	59%	0.588	S	S	.	*	H	α-helix	trans	-71.7	-36.8	177.2	0	0	0	0	0	112.7	E357 N358 L363 A364	E357-A361 PolarHBondContact O-N 3.15Å; N358-A361 PolarHBondContact O-N 2.69Å; A361-L363 VanDerWaalsContact C-N 3.27Å; A361-L363 PolarHBondContact O-N 3.33Å; A361-A364 PolarHBondContact O-N 2.85Å; A361-A364 VanDerWaalsContact O-N 3.15Å
362	E	60.7	Low	66.6	Low	158 Å²	158	107.3 Å²	107.3	74%	0.738	58%	0.58	S	S	*	*	H	α-helix	trans	-64.2	-28.4	176.3	-78.1	-173.5	158.4	0	0	113.7	N358 A364	N358-E362 PolarHBondContact O-N 3.43Å; E362-A364 PolarHBondContact O-N 3.06Å
363	L	57.3	Low	64.6	Low	155 Å²	155	109.1 Å²	109.1	81%	0.812	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-10.5	176.6	-77.2	155.2	0	0	0	113.5	A359 A361	A359-L363 WeakPolarHBondContact O-CD1 3.5Å; A361-L363 VanDerWaalsContact C-N 3.27Å; A361-L363 PolarHBondContact O-N 3.33Å
364	A	56.4	Low	63.1	Low	76 Å²	76	110.9 Å²	110.9	63%	0.628	59%	0.593	S	S	*	*	S	Bend	trans	-116.6	81.4	179.9	0	0	0	0	0	111.1	A361 E362	A361-A364 PolarHBondContact O-N 2.85Å; A361-A364 VanDerWaalsContact O-N 3.15Å; E362-A364 PolarHBondContact O-N 3.06Å
365	S	48.8	Very low	62.1	Low	110 Å²	110	106.9 Å²	106.9	77%	0.769	57%	0.572	S	S	*	*			trans	-70.9	165.2	179.6	50.5	0	0	0	0	115.3
366	P	55.8	Low	61.8	Low	110 Å²	110	103.5 Å²	103.5	71%	0.714	56%	0.563	S	S	*	*			cis	-106	168.6	-33.2	36.9	-23.6	0	0	0	112.5	N368	P366-N368 PolarHBondContact O-N 2.99Å
367	L	52.4	Low	61.5	Low	133 Å²	133	99.8 Å²	99.8	70%	0.696	55%	0.546	S	S	*	.			trans	-44.3	121.2	-177.7	-70	136.4	0	0	0	114.1	D371 I376	L367-D371 HydrophobicContact CD2-CB 4.17Å; L367-I376 HydrophobicContact CD2-CG2 4.33Å
368	N	46.8	Very low	61.5	Low	124 Å²	124	95.8 Å²	95.8	66%	0.663	53%	0.531	S	S	*	.			trans	-90.3	153.9	171.4	-81.7	-39.6	0	0	0	110	P366 A370 D371	P366-N368 PolarHBondContact O-N 2.99Å; N368-A370 PolarHBondContact O-N 2.86Å; N368-D371 PolarHBondContact N-OD2 3.07Å; N368-D371 WeakPolarHBondContact O-CB 3.29Å; N368-D371 PolarHBondContact O-N 3.1Å
369	E	48.2	Very low	61.7	Low	201 Å²	201	95.9 Å²	95.9	94%	0.939	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-54.8	-17.7	175.6	-71.2	-176.9	153	0	0	114.1	D371	E369-D371 VanDerWaalsContact C-N 3.28Å; E369-D371 PolarHBondContact O-N 3.18Å
370	A	47.6	Very low	62.2	Low	68 Å²	68	98.6 Å²	98.6	56%	0.562	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-69.6	-17.8	173.2	0	0	0	0	0	114.3	N368 G372	N368-A370 PolarHBondContact O-N 2.86Å; A370-G372 VanDerWaalsContact C-N 3.33Å
371	D	51.3	Low	62.9	Low	42 Å²	42	91.9 Å²	91.9	23%	0.225	53%	0.525	C	S	.	.	G	3₁₀ helix	trans	-75.4	-20.6	179.3	-72	-33.1	0	0	0	113	L367 N368 E369 H373 R374 G375 I376	L367-D371 HydrophobicContact CD2-CB 4.17Å; N368-D371 PolarHBondContact N-OD2 3.07Å; N368-D371 WeakPolarHBondContact O-CB 3.29Å; N368-D371 PolarHBondContact O-N 3.1Å; E369-D371 VanDerWaalsContact C-N 3.28Å; E369-D371 PolarHBondContact O-N 3.18Å; D371-H373 VanDerWaalsContact C-N 3.27Å; D371-H373 PolarHBondContact O-N 3.42Å; D371-R374 PolarHBondContact O-N 2.78Å; D371-R374 VanDerWaalsContact O-N 3.15Å; D371-G375 PolarHBondContact O-N 3.43Å; D371-I376 HydrophobicContact CB-CD1 4.05Å
372	G	50.5	Low	64.1	Low	21 Å²	21	97.4 Å²	97.4	22%	0.216	53%	0.532	C	S	.	.	G	3₁₀ helix	trans	-66.1	-25.5	175.3	0	0	0	0	0	113.8	A370	A370-G372 VanDerWaalsContact C-N 3.33Å
373	H	50.5	Low	65.5	Low	125 Å²	125	91.1 Å²	91.1	58%	0.579	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-81.8	-22.5	173.8	-74.6	-21.6	0	0	0	113.3	D371	D371-H373 VanDerWaalsContact C-N 3.27Å; D371-H373 PolarHBondContact O-N 3.42Å
374	R	59.4	Low	67.1	Low	184 Å²	184	88.4 Å²	88.4	69%	0.694	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.2	176.4	-72.4	-173.5	171.4	-163.8	-2.5	113.5	D371 I376	D371-R374 PolarHBondContact O-N 2.78Å; D371-R374 VanDerWaalsContact O-N 3.15Å; R374-I376 VanDerWaalsContact C-N 3.32Å; R374-I376 HydrophobicContact CB-CD1 4.34Å; R374-I376 HydrophobicContact CB-CG1 4.31Å; R374-I376 PolarHBondContact O-N 2.86Å
375	G	67.1	Low	68.8	Low	3 Å²	3	85.6 Å²	85.6	3%	0.031	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	19.1	174.3	0	0	0	0	0	115	D371 I377 S466	D371-G375 PolarHBondContact O-N 3.43Å; G375-I377 PolarHBondContact O-N 2.87Å; G375-S466 WeakPolarHBondContact CA-OG 3.33Å
376	I	79.6	Confident	70.7	Confident	77 Å²	77	84.3 Å²	84.3	40%	0.395	45%	0.45	S	S	.	.			trans	-69.8	123.3	177.7	-60.5	169.2	0	0	0	108.6	L367 D371 R374 Y463	L367-I376 HydrophobicContact CD2-CG2 4.33Å; D371-I376 HydrophobicContact CB-CD1 4.05Å; R374-I376 VanDerWaalsContact C-N 3.32Å; R374-I376 HydrophobicContact CB-CD1 4.34Å; R374-I376 HydrophobicContact CB-CG1 4.31Å; R374-I376 PolarHBondContact O-N 2.86Å; I376-Y463 WeakPolarHBondContact O-CE2 3.49Å
377	I	82.8	Confident	72.4	Confident	23 Å²	23	81.4 Å²	81.4	12%	0.118	43%	0.428	C	S	.	.			trans	-106.6	156.1	176.3	65	172.6	0	0	0	111.4	G375 A379 T410 H470 F472	G375-I377 PolarHBondContact O-N 2.87Å; I377-A379 PolarHBondContact O-N 2.79Å; I377-T410 HydrophobicContact CB-CG2 4.36Å; I377-T410 HydrophobicContact CG2-CG2 4.3Å; I377-H470 HydrophobicContact CD1-CB 3.71Å; I377-H470 VanDerWaalsContact CD1-CG 3.48Å; I377-F472 HydrophobicContact CD1-CE2 3.66Å; I377-F472 HydrophobicContact CD1-CZ 3.85Å
378	P	84.3	Confident	74.1	Confident	44 Å²	44	77.3 Å²	77.3	29%	0.286	41%	0.41	S	S	.	.			trans	-58.8	132.3	170.6	-23.9	34.2	0	0	0	112.1	N380 T381	P378-N380 VanDerWaalsContact CB-OD1 3.29Å; P378-N380 WeakPolarHBondContact CB-OD1 3.33Å; P378-N380 PolarHBondContact O-N 3.09Å; P378-N380 VanDerWaalsContact O-N 3.13Å; P378-T381 VanDerWaalsContact O-CB 3.29Å; P378-T381 WeakPolarHBondContact O-CB 3.45Å; P378-T381 PolarHBondContact O-N 3.28Å; P378-T381 PolarHBondContact O-OG1 3.04Å
379	A	82.5	Confident	76.1	Confident	102 Å²	102	73.3 Å²	73.3	84%	0.843	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20	-178.5	0	0	0	0	0	114.1	I377 T381	I377-A379 PolarHBondContact O-N 2.79Å; A379-T381 VanDerWaalsContact C-N 3.31Å
380	N	86.8	Confident	77.8	Confident	105 Å²	105	65.5 Å²	65.5	56%	0.561	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	5.3	176.3	70.9	-24.7	0	0	0	113.9	P378 R382 S407 N408	P378-N380 VanDerWaalsContact CB-OD1 3.29Å; P378-N380 WeakPolarHBondContact CB-OD1 3.33Å; P378-N380 PolarHBondContact O-N 3.09Å; P378-N380 VanDerWaalsContact O-N 3.13Å; N380-R382 PolarHBondContact O-N 2.99Å; N380-S407 PolarHBondContact O-OG 2.89Å; N380-N408 PolarHBondContact OD1-ND2 3.06Å
381	T	87.8	Confident	79.3	Confident	6 Å²	6	67.5 Å²	67.5	4%	0.037	36%	0.358	C	S	.	.			trans	-62.8	118.6	176.4	-54.8	0	0	0	0	110	P378 A379 T410 V461 F472	P378-T381 VanDerWaalsContact O-CB 3.29Å; P378-T381 WeakPolarHBondContact O-CB 3.45Å; P378-T381 PolarHBondContact O-N 3.28Å; P378-T381 PolarHBondContact O-OG1 3.04Å; A379-T381 VanDerWaalsContact C-N 3.31Å; T381-T410 HydrophobicContact CG2-CG2 4.26Å; T381-T410 WeakPolarHBondContact CG2-OG1 3.23Å; T381-V461 HydrophobicContact CG2-CG1 4.18Å; T381-F472 HydrophobicContact CG2-CZ 4.45Å
382	R	89.4	Confident	80.1	Confident	178 Å²	178	67.1 Å²	67.1	67%	0.672	36%	0.364	S	S	*	.			trans	-119.5	150.1	175	-65.7	179.2	-178.1	-179.4	0.3	110.2	N380 T406 S407	N380-R382 PolarHBondContact O-N 2.99Å; R382-T406 WeakPolarHBondContact O-CA 3.49Å; R382-S407 PolarHBondContact N-OG 2.91Å; R382-S407 PolarHBondContact O-N 3.21Å
383	L	89.5	Confident	81	Confident	26 Å²	26	69.5 Å²	69.5	14%	0.136	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.8	170.8	-79.1	152.1	0	0	0	109.8	I404 S405 T406 I412 A459 V461 F472	L383-I404 HydrophobicContact CD2-CG2 3.49Å; L383-I404 VanDerWaalsContact CD2-CG2 3.49Å; L383-S405 CarbonylContact C-O 3.46Å; L383-S405 WeakPolarHBondContact CA-O 3.45Å; L383-T406 HydrophobicContact CD2-CG2 3.99Å; L383-I412 HydrophobicContact CD2-CD1 4.24Å; L383-A459 HydrophobicContact CD1-CB 3.91Å; L383-A459 HydrophobicContact CD2-CB 4.28Å; L383-V461 HydrophobicContact CD1-CG2 4.19Å; L383-V461 HydrophobicContact CD2-CG2 4.32Å; L383-F472 HydrophobicContact CD1-CB 3.12Å; L383-F472 HydrophobicContact CD1-CD1 3.94Å; L383-F472 HydrophobicContact CD1-CD2 4.05Å; L383-F472 HydrophobicContact CD1-CG 3.46Å; L383-F472 VanDerWaalsContact CD1-CG 3.46Å
384	H	91.2	Very high	81.2	Confident	99 Å²	99	73.4 Å²	73.4	46%	0.458	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.5	168.6	-63	-73.3	0	0	0	108.4	I404 S405	H384-I404 WeakPolarHBondContact O-CA 3.5Å; H384-S405 PolarHBondContact N-O 3.34Å; H384-S405 PolarHBondContact O-N 3.44Å
385	T	91.6	Very high	81	Confident	17 Å²	17	70.7 Å²	70.7	10%	0.104	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.6	178.2	50.3	0	0	0	0	109.7	C403 I404 L457 L474 R476	T385-C403 CarbonylContact C-O 3.56Å; T385-C403 VanDerWaalsContact CA-O 3.23Å; T385-C403 WeakPolarHBondContact CA-O 3.4Å; T385-I404 HydrophobicContact CG2-CB 4.17Å; T385-I404 HydrophobicContact CG2-CG1 3.86Å; T385-I404 HydrophobicContact CG2-CG2 3.96Å; T385-L457 HydrophobicContact CG2-CD1 4.37Å; T385-L474 HydrophobicContact CG2-CD2 3.44Å; T385-L474 VanDerWaalsContact CG2-CD2 3.44Å; T385-L474 WeakPolarHBondContact OG1-CD2 3.23Å; T385-R476 PolarHBondContact OG1-NE 2.91Å; T385-R476 PolarHBondContact OG1-NH2 3.19Å
386	T	90.1	Very high	80.9	Confident	83 Å²	83	75.7 Å²	75.7	51%	0.509	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.4	179.4	55.8	0	0	0	0	108.8	C403	T386-C403 PolarHBondContact N-O 3.24Å; T386-C403 PolarHBondContact O-N 3.27Å; T386-C403 WeakPolarHBondContact OG1-CB 3.4Å
387	L	90.6	Very high	80.8	Confident	49 Å²	49	77.8 Å²	77.8	26%	0.257	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.6	174.1	-74.3	167.5	0	0	0	108.1	L402 L478 L519	L387-L402 HydrophobicContact CD2-CB 3.94Å; L387-L402 HydrophobicContact CD2-CD1 3.64Å; L387-L402 HydrophobicContact CD2-CG 4.34Å; L387-L402 HydrophobicContact CG-CD1 4.14Å; L387-L478 HydrophobicContact CD1-CD2 3.96Å; L387-L478 HydrophobicContact CD2-CD2 3.63Å; L387-L478 HydrophobicContact CG-CD2 4.42Å; L387-L519 HydrophobicContact CB-CD2 4.1Å
388	S	88.8	Confident	80.7	Confident	47 Å²	47	78 Å²	78	33%	0.329	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	167.5	176.7	48.5	0	0	0	0	110	T400 E401	S388-T400 CarbonylContact O-C 3.29Å; S388-T400 WeakPolarHBondContact O-CG2 3.4Å; S388-E401 PolarHBondContact N-O 3.49Å; S388-E401 PolarHBondContact O-N 2.92Å
389	V	88	Confident	80.9	Confident	40 Å²	40	76.3 Å²	76.3	24%	0.242	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.5	175.8	178.1	0	0	0	0	108.8	A485 L519 L538	V389-A485 HydrophobicContact CB-CB 4.44Å; V389-A485 HydrophobicContact CG1-CB 3.63Å; V389-L519 HydrophobicContact CG2-CB 3.9Å; V389-L519 HydrophobicContact CG2-CD1 3.72Å; V389-L519 HydrophobicContact CG2-CG 4.46Å; V389-L538 HydrophobicContact CG1-CD1 3.37Å; V389-L538 HydrophobicContact CG1-CD2 3.8Å; V389-L538 HydrophobicContact CG1-CG 4.1Å
390	S	85	Confident	81.2	Confident	36 Å²	36	71.5 Å²	71.5	25%	0.252	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.7	177.3	-176.5	0	0	0	0	110.1	G392 A398 H399	S390-G392 PolarHBondContact O-N 2.83Å; S390-A398 WeakPolarHBondContact O-CA 3.41Å; S390-H399 PolarHBondContact N-O 3.42Å; S390-H399 PolarHBondContact O-N 3.16Å
391	L	78.1	Confident	81.4	Confident	110 Å²	110	69 Å²	69	58%	0.576	38%	0.378	S	S	*	.			trans	-73	-0.1	178.1	-65.3	172.7	0	0	0	113.1	A485 L538	L391-A485 HydrophobicContact CD2-CB 3.73Å; L391-L538 HydrophobicContact CD2-CD2 3.91Å
392	G	69.4	Low	81.6	Confident	34 Å²	34	68.7 Å²	68.7	35%	0.351	38%	0.376	S	S	.	.			trans	88	169.3	-179.8	0	0	0	0	0	113.6	S390 Q396	S390-G392 PolarHBondContact O-N 2.83Å; G392-Q396 VanDerWaalsContact CA-O 3.24Å; G392-Q396 WeakPolarHBondContact CA-O 3.23Å
393	S	67.7	Low	81.7	Confident	72 Å²	72	61.4 Å²	61.4	50%	0.503	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-130.5	175.7	173	65.1	0	0	0	0	108.9	T395 Q396	S393-T395 PolarHBondContact O-N 3.22Å; S393-T395 PolarHBondContact OG-OG1 3.46Å; S393-Q396 PolarHBondContact N-O 3.46Å; S393-Q396 PolarHBondContact O-N 2.81Å; S393-Q396 VanDerWaalsContact O-N 3.08Å
394	E	55.9	Low	81.9	Confident	206 Å²	206	60.3 Å²	60.3	96%	0.963	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-19.7	-179.9	-70.1	-175.1	163.9	0	0	114.3
395	T	54.4	Low	82	Confident	128 Å²	128	57.3 Å²	57.3	79%	0.785	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-11.7	-178.7	60.1	0	0	0	0	114.9	S393	S393-T395 PolarHBondContact O-N 3.22Å; S393-T395 PolarHBondContact OG-OG1 3.46Å
396	Q	65.6	Low	82.1	Confident	108 Å²	108	57.1 Å²	57.1	51%	0.505	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-136.1	130	-176.5	-78.2	-176.7	-12.6	0	0	111.4	G392 S393	G392-Q396 VanDerWaalsContact CA-O 3.24Å; G392-Q396 WeakPolarHBondContact CA-O 3.23Å; S393-Q396 PolarHBondContact N-O 3.46Å; S393-Q396 PolarHBondContact O-N 2.81Å; S393-Q396 VanDerWaalsContact O-N 3.08Å
397	T	76.9	Confident	82.1	Confident	121 Å²	121	55.6 Å²	55.6	74%	0.742	33%	0.328	S	S	*	.			trans	-62.3	154.2	173.6	55.4	0	0	0	0	111	H399	T397-H399 PolarHBondContact O-N 3.37Å; T397-H399 PolarHBondContact O-ND1 3.44Å
398	A	81.9	Confident	81.9	Confident	26 Å²	26	55.3 Å²	55.3	22%	0.215	33%	0.327	C	S	.	.			trans	-55.2	133.2	174.8	0	0	0	0	0	111.1	S390 L538	S390-A398 WeakPolarHBondContact O-CA 3.41Å; A398-L538 HydrophobicContact CB-CB 3.91Å; A398-L538 HydrophobicContact CB-CD2 3.73Å; A398-L538 HydrophobicContact CB-CG 4.36Å
399	H	87.7	Confident	81.7	Confident	10 Å²	10	59.9 Å²	59.9	5%	0.046	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	160.1	-173.3	59.6	-92.4	0	0	0	112.4	S390 T397 P444	S390-H399 PolarHBondContact N-O 3.42Å; S390-H399 PolarHBondContact O-N 3.16Å; T397-H399 PolarHBondContact O-N 3.37Å; T397-H399 PolarHBondContact O-ND1 3.44Å; H399-P444 HydrophobicContact CB-CB 4.1Å; H399-P444 VanDerWaalsContact CD2-CB 3.4Å; H399-P444 WeakPolarHBondContact CD2-CB 3.44Å
400	T	88.9	Confident	81.8	Confident	0 Å²	0	58 Å²	58	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.1	165	-51.5	0	0	0	0	108.1	S388 I445 L478 S482 M483 L519	S388-T400 CarbonylContact O-C 3.29Å; S388-T400 WeakPolarHBondContact O-CG2 3.4Å; T400-I445 WeakPolarHBondContact CB-O 3.09Å; T400-I445 PolarHBondContact N-O 2.97Å; T400-I445 PolarHBondContact O-N 3.39Å; T400-L478 HydrophobicContact CG2-CD2 4.12Å; T400-S482 PolarHBondContact OG1-O 3.05Å; T400-M483 PolarHBondContact OG1-SD 2.92Å; T400-L519 HydrophobicContact CG2-CD1 3.57Å
401	E	90.9	Very high	82.1	Confident	53 Å²	53	56.9 Å²	56.9	25%	0.248	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.1	-178	-172.6	177.9	-158.6	0	0	109.9	S388 C442	S388-E401 PolarHBondContact N-O 3.49Å; S388-E401 PolarHBondContact O-N 2.92Å; E401-C442 HydrophobicContact CG-CB 3.97Å; E401-C442 WeakPolarHBondContact OE1-CB 3.31Å; E401-C442 PolarHBondContact OE1-SG 3.18Å
402	L	92.1	Very high	82.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	107.2	168.6	172.9	65.2	0	0	0	108.4	L387 I404 I417 I443 I445 L455 L457	L387-L402 HydrophobicContact CD2-CB 3.94Å; L387-L402 HydrophobicContact CD2-CD1 3.64Å; L387-L402 HydrophobicContact CD2-CG 4.34Å; L387-L402 HydrophobicContact CG-CD1 4.14Å; L402-I404 HydrophobicContact CD1-CG1 4.47Å; L402-I404 HydrophobicContact CD2-CD1 4.19Å; L402-I404 HydrophobicContact CD2-CG1 4.36Å; L402-I404 HydrophobicContact CG-CD1 4.41Å; L402-I404 HydrophobicContact CG-CG1 4.04Å; L402-I417 HydrophobicContact CD2-CD1 4.11Å; L402-I443 PolarHBondContact N-O 3.37Å; L402-I443 PolarHBondContact O-N 2.96Å; L402-I445 HydrophobicContact CB-CD1 3.78Å; L402-I445 HydrophobicContact CD2-CD1 4.09Å; L402-L455 HydrophobicContact CD2-CD1 4.15Å; L402-L457 HydrophobicContact CD2-CD1 3.9Å; L402-L457 HydrophobicContact CD2-CD2 3.65Å; L402-L457 HydrophobicContact CD2-CG 4.42Å
403	C	91.8	Very high	83.8	Confident	25 Å²	25	52.5 Å²	52.5	17%	0.169	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.9	172.6	-175.2	0	0	0	0	109.6	T385 T386 I441	T385-C403 CarbonylContact C-O 3.56Å; T385-C403 VanDerWaalsContact CA-O 3.23Å; T385-C403 WeakPolarHBondContact CA-O 3.4Å; T386-C403 PolarHBondContact N-O 3.24Å; T386-C403 PolarHBondContact O-N 3.27Å; T386-C403 WeakPolarHBondContact OG1-CB 3.4Å; C403-I441 WeakPolarHBondContact CA-O 3.42Å
404	I	93.6	Very high	85	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.4	176.7	-52.3	179.5	0	0	0	107.1	L383 H384 T385 L402 I412 V415 S440 I441 I443 L457	L383-I404 HydrophobicContact CD2-CG2 3.49Å; L383-I404 VanDerWaalsContact CD2-CG2 3.49Å; H384-I404 WeakPolarHBondContact O-CA 3.5Å; T385-I404 HydrophobicContact CG2-CB 4.17Å; T385-I404 HydrophobicContact CG2-CG1 3.86Å; T385-I404 HydrophobicContact CG2-CG2 3.96Å; L402-I404 HydrophobicContact CD1-CG1 4.47Å; L402-I404 HydrophobicContact CD2-CD1 4.19Å; L402-I404 HydrophobicContact CD2-CG1 4.36Å; L402-I404 HydrophobicContact CG-CD1 4.41Å; L402-I404 HydrophobicContact CG-CG1 4.04Å; I404-I412 HydrophobicContact CB-CD1 4.26Å; I404-I412 HydrophobicContact CG2-CD1 3.84Å; I404-I412 VanDerWaalsContact O-CD1 3.27Å; I404-I412 WeakPolarHBondContact O-CD1 3.48Å; I404-V415 HydrophobicContact CD1-CG1 3.72Å; I404-V415 HydrophobicContact CD1-CG2 4.19Å; I404-S440 CarbonylContact O-C 3.6Å; I404-S440 VanDerWaalsContact O-CA 3.27Å; I404-S440 WeakPolarHBondContact O-CA 3.19Å; I404-I441 HydrophobicContact CB-CG2 3.95Å; I404-I441 PolarHBondContact N-O 3.47Å; I404-I441 PolarHBondContact O-N 2.9Å; I404-I443 HydrophobicContact CD1-CD1 3.91Å; I404-L457 HydrophobicContact CD1-CD1 4.17Å; I404-L457 HydrophobicContact CD1-CD2 4.38Å
405	S	93.4	Very high	86.8	Confident	36 Å²	36	39.6 Å²	39.6	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.9	179.8	60.1	0	0	0	0	112.1	L383 H384 S439	L383-S405 CarbonylContact C-O 3.46Å; L383-S405 WeakPolarHBondContact CA-O 3.45Å; H384-S405 PolarHBondContact N-O 3.34Å; H384-S405 PolarHBondContact O-N 3.44Å; S405-S439 WeakPolarHBondContact CA-O 3.36Å
406	T	92.3	Very high	88.7	Confident	13 Å²	13	35.2 Å²	35.2	8%	0.08	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	147.8	171.5	50.9	0	0	0	0	110.3	R382 L383 N408 T410 I412 S439 V461	R382-T406 WeakPolarHBondContact O-CA 3.49Å; L383-T406 HydrophobicContact CD2-CG2 3.99Å; T406-N408 PolarHBondContact O-N 3.08Å; T406-N408 PolarHBondContact OG1-O 2.88Å; T406-T410 WeakPolarHBondContact CB-OG1 3.29Å; T406-T410 PolarHBondContact OG1-O 3.47Å; T406-I412 HydrophobicContact CG2-CD1 4.32Å; T406-I412 HydrophobicContact CG2-CG1 3.89Å; T406-S439 PolarHBondContact N-O 3.04Å; T406-S439 VanDerWaalsContact OG1-CB 3.3Å; T406-S439 WeakPolarHBondContact OG1-CB 3.35Å; T406-S439 PolarHBondContact OG1-O 3.08Å; T406-S439 VanDerWaalsContact OG1-O 3.13Å; T406-V461 HydrophobicContact CG2-CG1 3.99Å; T406-V461 HydrophobicContact CG2-CG2 4.25Å
407	S	90	Very high	90.1	Very high	52 Å²	52	30.1 Å²	30.1	36%	0.364	17%	0.173	S	C	.	.	S	Bend	trans	-71.2	-17.1	178	60.7	0	0	0	0	114	N380 R382	N380-S407 PolarHBondContact O-OG 2.89Å; R382-S407 PolarHBondContact N-OG 2.91Å; R382-S407 PolarHBondContact O-N 3.21Å
408	N	87.3	Confident	90.8	Very high	43 Å²	43	27.4 Å²	27.4	23%	0.23	15%	0.151	C	C	.	.	S	Bend	trans	-128.8	-178.4	-170.1	-59.5	16.8	0	0	0	110.3	N380 T406 T410	N380-N408 PolarHBondContact OD1-ND2 3.06Å; T406-N408 PolarHBondContact O-N 3.08Å; T406-N408 PolarHBondContact OG1-O 2.88Å; N408-T410 PolarHBondContact O-N 3.48Å
409	D	85.4	Confident	91	Very high	142 Å²	142	26.3 Å²	26.3	76%	0.759	14%	0.142	S	C	*	.	S	Bend	trans	-70.8	11.2	178.7	-160	35.9	0	0	0	114.8
410	T	88.7	Confident	90.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.			trans	-73.1	141.7	173.8	53	0	0	0	0	110.5	I377 T381 T406 N408 V461	I377-T410 HydrophobicContact CB-CG2 4.36Å; I377-T410 HydrophobicContact CG2-CG2 4.3Å; T381-T410 HydrophobicContact CG2-CG2 4.26Å; T381-T410 WeakPolarHBondContact CG2-OG1 3.23Å; T406-T410 WeakPolarHBondContact CB-OG1 3.29Å; T406-T410 PolarHBondContact OG1-O 3.47Å; N408-T410 PolarHBondContact O-N 3.48Å; T410-V461 HydrophobicContact CG2-CG1 4.36Å
411	I	91.3	Very high	90	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.067	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	153.2	-178.9	70	-172.3	0	0	0	111.7	L437 V461 G462 Y463 R464	I411-L437 HydrophobicContact CB-CD2 4.5Å; I411-L437 HydrophobicContact CD1-CB 4.11Å; I411-L437 HydrophobicContact CD1-CD2 3.29Å; I411-L437 HydrophobicContact CD1-CG 4.29Å; I411-L437 HydrophobicContact CG1-CD2 3.93Å; I411-V461 WeakPolarHBondContact O-CA 3.44Å; I411-G462 WeakPolarHBondContact CG1-O 3.06Å; I411-G462 PolarHBondContact N-O 3.07Å; I411-G462 PolarHBondContact O-N 3.19Å; I411-G462 VanDerWaalsContact O-N 3.09Å; I411-Y463 VanDerWaalsContact CD1-C 3.43Å; I411-R464 VanDerWaalsContact CD1-CA 3.42Å; I411-R464 HydrophobicContact CD1-CB 4.03Å; I411-R464 HydrophobicContact CD1-CG 3.45Å; I411-R464 VanDerWaalsContact CD1-CG 3.45Å; I411-R464 VanDerWaalsContact CD1-N 3.27Å
412	I	92.4	Very high	89.7	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	111.4	170.8	-58	173.1	0	0	0	108.1	L383 I404 T406 V415 S438 S439 I441	L383-I412 HydrophobicContact CD2-CD1 4.24Å; I404-I412 HydrophobicContact CB-CD1 4.26Å; I404-I412 HydrophobicContact CG2-CD1 3.84Å; I404-I412 VanDerWaalsContact O-CD1 3.27Å; I404-I412 WeakPolarHBondContact O-CD1 3.48Å; T406-I412 HydrophobicContact CG2-CD1 4.32Å; T406-I412 HydrophobicContact CG2-CG1 3.89Å; I412-V415 HydrophobicContact CG2-CG2 3.5Å; I412-S438 PolarHBondContact N-O 3.36Å; I412-S439 WeakPolarHBondContact CD1-O 3.31Å; I412-I441 HydrophobicContact CB-CG2 4.47Å; I412-I441 HydrophobicContact CD1-CG2 3.87Å; I412-I441 HydrophobicContact CG2-CG2 4.05Å
413	R	91.1	Very high	89.4	Confident	51 Å²	51	32 Å²	32	19%	0.192	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-42.5	-177.7	177.7	60	-171.9	120.2	-11.4	112.5	H431 P432 F460 F469	R413-H431 VanDerWaalsContact CZ-CE1 3.48Å; R413-H431 PolarHBondContact NH1-CE1 2.8Å; R413-H431 VanDerWaalsContact NH1-CE1 3.31Å; R413-H431 PolarHBondContact NH1-NE2 3.29Å; R413-H431 VanDerWaalsContact NH1-NE2 3.12Å; R413-H431 PolarHBondContact NH2-CE1 2.69Å; R413-H431 PolarHBondContact NH2-NE2 3.32Å; R413-H431 VanDerWaalsContact NH2-NE2 3.14Å; R413-P432 PolarHBondContact NH1-O 3.41Å; R413-F460 HydrophobicContact CB-CB 4.3Å; R413-F460 PolarHBondContact N-O 3.27Å; R413-F469 HydrophobicContact CB-CD1 3.9Å; R413-F469 HydrophobicContact CB-CE1 3.75Å; R413-F469 HydrophobicContact CB-CG 4.46Å; R413-F469 HydrophobicContact CB-CZ 4.19Å; R413-F469 HydrophobicContact CG-CD1 4.31Å; R413-F469 HydrophobicContact CG-CD2 4.5Å; R413-F469 HydrophobicContact CG-CE1 3.9Å; R413-F469 HydrophobicContact CG-CE2 4.09Å; R413-F469 HydrophobicContact CG-CZ 3.78Å
414	A	93.1	Very high	88.8	Confident	6 Å²	6	38.4 Å²	38.4	5%	0.05	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	153.1	-177.3	0	0	0	0	0	109.5	V430 F460	A414-V430 CarbonylContact C-O 3.6Å; A414-V430 WeakPolarHBondContact CA-O 3.43Å; A414-F460 HydrophobicContact CB-CB 4.24Å; A414-F460 HydrophobicContact CB-CD2 4.01Å; A414-F460 HydrophobicContact CB-CG 4.25Å; A414-F460 PolarHBondContact O-N 2.83Å
415	V	94.3	Very high	88.2	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.6	170.9	-176.5	0	0	0	0	108.3	I404 I412 I417 V429 V430 I441 I443 A459	I404-V415 HydrophobicContact CD1-CG1 3.72Å; I404-V415 HydrophobicContact CD1-CG2 4.19Å; I412-V415 HydrophobicContact CG2-CG2 3.5Å; V415-I417 HydrophobicContact CG1-CG1 4Å; V415-V429 WeakPolarHBondContact O-CA 3.41Å; V415-V430 PolarHBondContact N-O 3.28Å; V415-V430 PolarHBondContact O-N 3.41Å; V415-I441 HydrophobicContact CG2-CD1 4.48Å; V415-I441 HydrophobicContact CG2-CG2 3.87Å; V415-I443 HydrophobicContact CB-CD1 3.86Å; V415-I443 HydrophobicContact CG1-CD1 3.74Å; V415-I443 HydrophobicContact CG2-CD1 4.18Å; V415-A459 HydrophobicContact CG2-CB 4.38Å
416	L	94.6	Very high	87.7	Confident	37 Å²	37	44.2 Å²	44.2	19%	0.194	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.1	166.7	-76	122.9	0	0	0	108.5	F418 V429 L457 K458 F460	L416-F418 HydrophobicContact CB-CE2 4.04Å; L416-F418 HydrophobicContact CD2-CE2 4.47Å; L416-F418 HydrophobicContact CD2-CZ 4.31Å; L416-V429 HydrophobicContact CD2-CG2 3.49Å; L416-V429 VanDerWaalsContact CD2-CG2 3.49Å; L416-V429 HydrophobicContact CG-CG1 4.29Å; L416-V429 HydrophobicContact CG-CG2 3.98Å; L416-L457 CarbonylContact O-C 3.57Å; L416-K458 HydrophobicContact CB-CB 4.23Å; L416-K458 PolarHBondContact N-O 3.45Å; L416-K458 PolarHBondContact O-N 3.49Å; L416-F460 HydrophobicContact CD1-CE1 3.68Å; L416-F460 HydrophobicContact CD1-CE2 4.19Å; L416-F460 HydrophobicContact CD1-CZ 3.44Å; L416-F460 VanDerWaalsContact CD1-CZ 3.44Å
417	I	93.6	Very high	87.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.4	173.4	-48.9	-170	0	0	0	107.6	L402 V415 F423 S427 H428 I443 L455 L457	L402-I417 HydrophobicContact CD2-CD1 4.11Å; V415-I417 HydrophobicContact CG1-CG1 4Å; I417-F423 HydrophobicContact CB-CE2 4Å; I417-F423 HydrophobicContact CB-CZ 4.17Å; I417-F423 HydrophobicContact CG2-CE2 3.65Å; I417-F423 HydrophobicContact CG2-CZ 3.87Å; I417-S427 CarbonylContact O-C 3.38Å; I417-S427 WeakPolarHBondContact O-CA 3.32Å; I417-H428 PolarHBondContact N-O 2.75Å; I417-H428 PolarHBondContact O-N 3.21Å; I417-I443 HydrophobicContact CD1-CB 4.32Å; I417-I443 HydrophobicContact CD1-CD1 3.79Å; I417-I443 HydrophobicContact CD1-CG2 3.69Å; I417-I443 HydrophobicContact CG1-CD1 4.4Å; I417-L455 HydrophobicContact CG2-CB 4.22Å; I417-L455 HydrophobicContact CG2-CD2 4.17Å; I417-L457 HydrophobicContact CB-CD2 4.04Å; I417-L457 HydrophobicContact CD1-CD2 3.83Å; I417-L457 HydrophobicContact CG1-CD2 3.55Å; I417-L457 HydrophobicContact CG2-CD2 3.75Å
418	F	91.4	Very high	87.6	Confident	64 Å²	64	46.4 Å²	46.4	28%	0.281	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.9	167.6	-64.5	-89.1	0	0	0	108.4	L416 H456 K458	L416-F418 HydrophobicContact CB-CE2 4.04Å; L416-F418 HydrophobicContact CD2-CE2 4.47Å; L416-F418 HydrophobicContact CD2-CZ 4.31Å; F418-H456 HydrophobicContact CB-CB 4.21Å; F418-H456 PolarHBondContact N-O 3Å; F418-H456 PolarHBondContact O-N 2.98Å; F418-K458 HydrophobicContact CD2-CG 4.48Å; F418-K458 HydrophobicContact CE2-CD 4.03Å; F418-K458 HydrophobicContact CE2-CG 4.27Å
419	A	87.8	Confident	88	Confident	3 Å²	3	48 Å²	48	3%	0.025	28%	0.276	C	S	.	.			trans	-151.1	148.2	176	0	0	0	0	0	108.8	I422 F423 E426 V453 L455	A419-I422 HydrophobicContact CB-CB 4.44Å; A419-I422 HydrophobicContact CB-CD1 4.12Å; A419-F423 HydrophobicContact CB-CD2 4.03Å; A419-F423 HydrophobicContact CB-CE2 3.62Å; A419-E426 PolarHBondContact N-O 3.4Å; A419-V453 HydrophobicContact CB-CG1 4.14Å; A419-L455 HydrophobicContact CB-CD2 3.46Å; A419-L455 VanDerWaalsContact CB-CD2 3.46Å
420	E	79.6	Confident	88.3	Confident	86 Å²	86	42.8 Å²	42.8	40%	0.402	25%	0.249	S	C	.	.	S	Bend	trans	-97.3	134.9	-175.1	-56.3	-177.1	157.3	0	0	110.2	T203 R237 I422	T203-E420 HydrophobicContact CG2-CB 3.47Å; T203-E420 VanDerWaalsContact CG2-CB 3.47Å; T203-E420 HydrophobicContact CG2-CG 4.04Å; T203-E420 WeakPolarHBondContact CG2-OE2 3.47Å; R237-E420 IonicContact CZ-OE1 3.17Å; R237-E420 IonicContact CZ-OE2 2.83Å; R237-E420 IonicContact NH1-OE1 2.87Å; R237-E420 PolarHBondContact NH1-OE1 2.94Å; R237-E420 IonicContact NH1-OE2 3.89Å; R237-E420 PolarHBondContact NH1-OE2 2.91Å; R237-E420 IonicContact NH2-OE1 2.71Å; R237-E420 PolarHBondContact NH2-OE1 2.71Å; R237-E420 IonicContact NH2-OE2 3.79Å; R237-E420 PolarHBondContact NH2-OE2 3.46Å; E420-I422 PolarHBondContact O-N 3.2Å
421	G	74.6	Confident	88.5	Confident	42 Å²	42	47.9 Å²	47.9	43%	0.433	27%	0.272	S	S	.	.	S	Bend	trans	70.6	-1.5	175	0	0	0	0	0	116.5	P448	G421-P448 VanDerWaalsContact O-CG 3.29Å; G421-P448 WeakPolarHBondContact O-CG 3.26Å
422	I	84.9	Confident	88.5	Confident	20 Å²	20	48.4 Å²	48.4	10%	0.103	28%	0.277	C	S	.	.	S	Bend	trans	-93.7	-41.8	178.2	-62.5	-180	0	0	0	112.2	A419 E420 I445 P447 V453 L455 L478	A419-I422 HydrophobicContact CB-CB 4.44Å; A419-I422 HydrophobicContact CB-CD1 4.12Å; E420-I422 PolarHBondContact O-N 3.2Å; I422-I445 HydrophobicContact CG2-CG2 3.71Å; I422-P447 HydrophobicContact CD1-CB 4.46Å; I422-P447 HydrophobicContact CD1-CG 4.2Å; I422-P447 HydrophobicContact CG1-CB 4.31Å; I422-V453 HydrophobicContact CD1-CB 3.66Å; I422-V453 HydrophobicContact CD1-CG1 3.5Å; I422-V453 HydrophobicContact CD1-CG2 3.88Å; I422-V453 HydrophobicContact CG1-CB 4.37Å; I422-V453 HydrophobicContact CG1-CG1 4.08Å; I422-V453 HydrophobicContact CG1-CG2 4.11Å; I422-L455 HydrophobicContact CD1-CD2 3.95Å; I422-L478 HydrophobicContact CD1-CD1 3.89Å
423	F	85.3	Confident	88.3	Confident	35 Å²	35	51.1 Å²	51.1	15%	0.154	30%	0.296	C	S	.	.	S	Bend	trans	-102.7	161.9	-172.3	-55.6	-58.7	0	0	0	112.2	I417 A419 G425 H428 I445	I417-F423 HydrophobicContact CB-CE2 4Å; I417-F423 HydrophobicContact CB-CZ 4.17Å; I417-F423 HydrophobicContact CG2-CE2 3.65Å; I417-F423 HydrophobicContact CG2-CZ 3.87Å; A419-F423 HydrophobicContact CB-CD2 4.03Å; A419-F423 HydrophobicContact CB-CE2 3.62Å; F423-G425 VanDerWaalsContact C-N 3.27Å; F423-G425 PolarHBondContact O-N 3.28Å; F423-H428 HydrophobicContact CB-CB 4.46Å; F423-H428 HydrophobicContact CD1-CB 3.53Å; F423-H428 HydrophobicContact CD2-CB 3.75Å; F423-H428 HydrophobicContact CE1-CB 3.53Å; F423-H428 AromaticContact CE1-CG 3.9Å; F423-H428 HydrophobicContact CE2-CB 3.75Å; F423-H428 HydrophobicContact CG-CB 3.65Å; F423-H428 HydrophobicContact CZ-CB 3.64Å; F423-I445 HydrophobicContact CE1-CG2 4.5Å
424	T	79.7	Confident	88	Confident	160 Å²	160	54.3 Å²	54.3	98%	0.982	32%	0.316	S	S	*	.	S	Bend	trans	-72.4	83.3	167.8	45.3	0	0	0	0	109.9
425	G	81.1	Confident	87.7	Confident	56 Å²	56	62.1 Å²	62.1	58%	0.577	35%	0.351	S	S	*	.	S	Bend	trans	115.7	-154.4	-171.5	0	0	0	0	0	111.3	F423	F423-G425 VanDerWaalsContact C-N 3.27Å; F423-G425 PolarHBondContact O-N 3.28Å
426	E	83.2	Confident	87.4	Confident	104 Å²	104	67.8 Å²	67.8	49%	0.486	38%	0.381	S	S	.	.	S	Bend	trans	-102.3	-16.7	-175	72.3	-173.4	-178.2	0	0	114.9	K239 A419	K239-E426 IonicContact NZ-OE2 2.79Å; K239-E426 PolarHBondContact NZ-OE2 2.76Å; A419-E426 PolarHBondContact N-O 3.4Å
427	S	89.6	Confident	87.1	Confident	42 Å²	42	66.6 Å²	66.6	29%	0.294	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	143.8	-175.3	69.1	0	0	0	0	111.9	I417	I417-S427 CarbonylContact O-C 3.38Å; I417-S427 WeakPolarHBondContact O-CA 3.32Å
428	H	91.8	Very high	86.9	Confident	69 Å²	69	69.1 Å²	69.1	32%	0.319	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.3	168.9	-177.2	-113.3	0	0	0	109.7	I417 F423	I417-H428 PolarHBondContact N-O 2.75Å; I417-H428 PolarHBondContact O-N 3.21Å; F423-H428 HydrophobicContact CB-CB 4.46Å; F423-H428 HydrophobicContact CD1-CB 3.53Å; F423-H428 HydrophobicContact CD2-CB 3.75Å; F423-H428 HydrophobicContact CE1-CB 3.53Å; F423-H428 AromaticContact CE1-CG 3.9Å; F423-H428 HydrophobicContact CE2-CB 3.75Å; F423-H428 HydrophobicContact CG-CB 3.65Å; F423-H428 HydrophobicContact CZ-CB 3.64Å
429	V	93.7	Very high	86.9	Confident	77 Å²	77	68.3 Å²	68.3	47%	0.467	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.3	-176.8	-173.4	0	0	0	0	109.3	V415 L416	V415-V429 WeakPolarHBondContact O-CA 3.41Å; L416-V429 HydrophobicContact CD2-CG2 3.49Å; L416-V429 VanDerWaalsContact CD2-CG2 3.49Å; L416-V429 HydrophobicContact CG-CG1 4.29Å; L416-V429 HydrophobicContact CG-CG2 3.98Å
430	V	92.5	Very high	87.1	Confident	31 Å²	31	70.7 Å²	70.7	19%	0.188	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.8	172.1	-169.5	0	0	0	0	108.6	A414 V415 I441 I443	A414-V430 CarbonylContact C-O 3.6Å; A414-V430 WeakPolarHBondContact CA-O 3.43Å; V415-V430 PolarHBondContact N-O 3.28Å; V415-V430 PolarHBondContact O-N 3.41Å; V430-I441 HydrophobicContact CB-CD1 4.19Å; V430-I441 HydrophobicContact CG1-CD1 3.5Å; V430-I441 VanDerWaalsContact CG1-CD1 3.5Å; V430-I441 HydrophobicContact CG1-CG1 4.38Å; V430-I443 HydrophobicContact CB-CD1 4.29Å; V430-I443 HydrophobicContact CB-CG1 4.43Å; V430-I443 HydrophobicContact CG2-CB 4.4Å; V430-I443 HydrophobicContact CG2-CD1 3.92Å; V430-I443 HydrophobicContact CG2-CG1 3.94Å; V430-I443 HydrophobicContact CG2-CG2 3.68Å
431	H	93	Very high	87.6	Confident	108 Å²	108	67.4 Å²	67.4	50%	0.5	40%	0.396	S	S	.	.			trans	-132.9	92.1	-177	-178.8	-92.3	0	0	0	110.2	R413	R413-H431 VanDerWaalsContact CZ-CE1 3.48Å; R413-H431 PolarHBondContact NH1-CE1 2.8Å; R413-H431 VanDerWaalsContact NH1-CE1 3.31Å; R413-H431 PolarHBondContact NH1-NE2 3.29Å; R413-H431 VanDerWaalsContact NH1-NE2 3.12Å; R413-H431 PolarHBondContact NH2-CE1 2.69Å; R413-H431 PolarHBondContact NH2-NE2 3.32Å; R413-H431 VanDerWaalsContact NH2-NE2 3.14Å
432	P	91.1	Very high	88.4	Confident	24 Å²	24	68.3 Å²	68.3	16%	0.156	40%	0.395	C	S	.	.			trans	-56.4	146.3	177.6	-25.6	34.8	0	0	0	112.8	R413 N436 I441	R413-P432 PolarHBondContact NH1-O 3.41Å; P432-N436 HydrophobicContact CB-CB 4.41Å; P432-I441 HydrophobicContact CG-CD1 3.48Å; P432-I441 VanDerWaalsContact CG-CD1 3.48Å; P432-I441 HydrophobicContact CG-CG1 4.44Å
433	S	89.1	Confident	88.7	Confident	59 Å²	59	67.4 Å²	67.4	41%	0.413	39%	0.39	S	S	.	.			trans	-65.6	158.4	169.8	69.4	0	0	0	0	110.2	H435 N436 L437	S433-H435 PolarHBondContact O-N 2.84Å; S433-N436 PolarHBondContact O-N 2.83Å; S433-N436 PolarHBondContact OG-ND2 3.24Å; S433-L437 WeakPolarHBondContact O-CD1 3.14Å
434	I	84.9	Confident	88.9	Confident	118 Å²	118	68.7 Å²	68.7	61%	0.605	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-55.7	-30.3	-175.5	-62.3	171.8	0	0	0	112.6	L437	I434-L437 VanDerWaalsContact C-CD1 3.5Å; I434-L437 HydrophobicContact CB-CD1 4.4Å; I434-L437 VanDerWaalsContact O-CD1 3.23Å; I434-L437 WeakPolarHBondContact O-CD1 3.33Å
435	H	85.8	Confident	89.5	Confident	170 Å²	170	61.1 Å²	61.1	79%	0.787	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-78.3	-22.3	179.2	-55.9	-61.3	0	0	0	113.5	S433	S433-H435 PolarHBondContact O-N 2.84Å
436	N	87.2	Confident	89.8	Confident	118 Å²	118	61.3 Å²	61.3	63%	0.631	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-105.6	17.8	-174.2	-64.9	-6.1	0	0	0	112.7	P432 S433 S438	P432-N436 HydrophobicContact CB-CB 4.41Å; S433-N436 PolarHBondContact O-N 2.83Å; S433-N436 PolarHBondContact OG-ND2 3.24Å; N436-S438 PolarHBondContact O-N 3.45Å
437	L	88.3	Confident	90.1	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.063	33%	0.33	C	S	.	.			trans	-74.4	126.8	174.7	-77.2	96.5	0	0	0	111.2	I411 S433 I434 R464	I411-L437 HydrophobicContact CB-CD2 4.5Å; I411-L437 HydrophobicContact CD1-CB 4.11Å; I411-L437 HydrophobicContact CD1-CD2 3.29Å; I411-L437 HydrophobicContact CD1-CG 4.29Å; I411-L437 HydrophobicContact CG1-CD2 3.93Å; S433-L437 WeakPolarHBondContact O-CD1 3.14Å; I434-L437 VanDerWaalsContact C-CD1 3.5Å; I434-L437 HydrophobicContact CB-CD1 4.4Å; I434-L437 VanDerWaalsContact O-CD1 3.23Å; I434-L437 WeakPolarHBondContact O-CD1 3.33Å; L437-R464 PolarHBondContact O-NH2 2.98Å
438	S	91.4	Very high	90	Very high	53 Å²	53	58.6 Å²	58.6	37%	0.371	34%	0.342	S	S	.	.			trans	-134.9	168	178.6	-175.8	0	0	0	0	110.2	I412 N436 S440	I412-S438 PolarHBondContact N-O 3.36Å; N436-S438 PolarHBondContact O-N 3.45Å; S438-S440 WeakPolarHBondContact CB-O 3.46Å; S438-S440 PolarHBondContact OG-N 2.88Å
439	S	90.3	Very high	89.7	Confident	47 Å²	47	59.6 Å²	59.6	33%	0.329	35%	0.346	S	S	.	.	S	Bend	trans	-71.5	-18	168.4	51.3	0	0	0	0	112.5	S405 T406 I412	S405-S439 WeakPolarHBondContact CA-O 3.36Å; T406-S439 PolarHBondContact N-O 3.04Å; T406-S439 VanDerWaalsContact OG1-CB 3.3Å; T406-S439 WeakPolarHBondContact OG1-CB 3.35Å; T406-S439 PolarHBondContact OG1-O 3.08Å; T406-S439 VanDerWaalsContact OG1-O 3.13Å; I412-S439 WeakPolarHBondContact CD1-O 3.31Å
440	S	91.3	Very high	89.5	Confident	53 Å²	53	56.9 Å²	56.9	37%	0.371	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.6	176.9	64	0	0	0	0	112.1	I404 S438	I404-S440 CarbonylContact O-C 3.6Å; I404-S440 VanDerWaalsContact O-CA 3.27Å; I404-S440 WeakPolarHBondContact O-CA 3.19Å; S438-S440 WeakPolarHBondContact CB-O 3.46Å; S438-S440 PolarHBondContact OG-N 2.88Å
441	I	92	Very high	89.3	Confident	18 Å²	18	57.8 Å²	57.8	9%	0.092	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.3	174.1	-167.4	171.8	0	0	0	110	C403 I404 I412 V415 V430 P432 I443	C403-I441 WeakPolarHBondContact CA-O 3.42Å; I404-I441 HydrophobicContact CB-CG2 3.95Å; I404-I441 PolarHBondContact N-O 3.47Å; I404-I441 PolarHBondContact O-N 2.9Å; I412-I441 HydrophobicContact CB-CG2 4.47Å; I412-I441 HydrophobicContact CD1-CG2 3.87Å; I412-I441 HydrophobicContact CG2-CG2 4.05Å; V415-I441 HydrophobicContact CG2-CD1 4.48Å; V415-I441 HydrophobicContact CG2-CG2 3.87Å; V430-I441 HydrophobicContact CB-CD1 4.19Å; V430-I441 HydrophobicContact CG1-CD1 3.5Å; V430-I441 VanDerWaalsContact CG1-CD1 3.5Å; V430-I441 HydrophobicContact CG1-CG1 4.38Å; P432-I441 HydrophobicContact CG-CD1 3.48Å; P432-I441 VanDerWaalsContact CG-CD1 3.48Å; P432-I441 HydrophobicContact CG-CG1 4.44Å; I441-I443 HydrophobicContact CG1-CG1 4.38Å; I441-I443 HydrophobicContact CG2-CD1 4.44Å
442	C	89.9	Confident	89.1	Confident	61 Å²	61	55.3 Å²	55.3	41%	0.412	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.7	174.8	-65.1	0	0	0	0	109.8	E401	E401-C442 HydrophobicContact CG-CB 3.97Å; E401-C442 WeakPolarHBondContact OE1-CB 3.31Å; E401-C442 PolarHBondContact OE1-SG 3.18Å
443	I	91.1	Very high	89	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118	-174.8	-53.8	176.2	0	0	0	108.7	L402 I404 V415 I417 V430 I441	L402-I443 PolarHBondContact N-O 3.37Å; L402-I443 PolarHBondContact O-N 2.96Å; I404-I443 HydrophobicContact CD1-CD1 3.91Å; V415-I443 HydrophobicContact CB-CD1 3.86Å; V415-I443 HydrophobicContact CG1-CD1 3.74Å; V415-I443 HydrophobicContact CG2-CD1 4.18Å; I417-I443 HydrophobicContact CD1-CB 4.32Å; I417-I443 HydrophobicContact CD1-CD1 3.79Å; I417-I443 HydrophobicContact CD1-CG2 3.69Å; I417-I443 HydrophobicContact CG1-CD1 4.4Å; V430-I443 HydrophobicContact CB-CD1 4.29Å; V430-I443 HydrophobicContact CB-CG1 4.43Å; V430-I443 HydrophobicContact CG2-CB 4.4Å; V430-I443 HydrophobicContact CG2-CD1 3.92Å; V430-I443 HydrophobicContact CG2-CG1 3.94Å; V430-I443 HydrophobicContact CG2-CG2 3.68Å; I441-I443 HydrophobicContact CG1-CG1 4.38Å; I441-I443 HydrophobicContact CG2-CD1 4.44Å
444	P	90.8	Very high	89.1	Confident	62 Å²	62	55.9 Å²	55.9	40%	0.403	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	133.9	175.7	30.8	-34.1	0	0	0	110.5	H399	H399-P444 HydrophobicContact CB-CB 4.1Å; H399-P444 VanDerWaalsContact CD2-CB 3.4Å; H399-P444 WeakPolarHBondContact CD2-CB 3.44Å
445	I	90.8	Very high	89.4	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.5	177.8	-48.4	178.4	0	0	0	108.2	T400 L402 I422 F423 P447 L455 L478	T400-I445 WeakPolarHBondContact CB-O 3.09Å; T400-I445 PolarHBondContact N-O 2.97Å; T400-I445 PolarHBondContact O-N 3.39Å; L402-I445 HydrophobicContact CB-CD1 3.78Å; L402-I445 HydrophobicContact CD2-CD1 4.09Å; I422-I445 HydrophobicContact CG2-CG2 3.71Å; F423-I445 HydrophobicContact CE1-CG2 4.5Å; I445-P447 HydrophobicContact CG2-CG 4.23Å; I445-L455 HydrophobicContact CD1-CD1 3.56Å; I445-L478 HydrophobicContact CD1-CD1 4.48Å; I445-L478 HydrophobicContact CG2-CD1 3.98Å
446	A	88.9	Confident	89.8	Confident	60 Å²	60	46.2 Å²	46.2	50%	0.496	28%	0.278	S	S	.	.			trans	-132.1	85.3	178.3	0	0	0	0	0	110	M483	A446-M483 HydrophobicContact CB-CE 4.02Å
447	P	89.8	Confident	90.1	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.032	25%	0.249	C	C	.	.			trans	-62.8	132.9	177.1	-22.9	35.6	0	0	0	111.8	I422 I445 L478 M483 R539	I422-P447 HydrophobicContact CD1-CB 4.46Å; I422-P447 HydrophobicContact CD1-CG 4.2Å; I422-P447 HydrophobicContact CG1-CB 4.31Å; I445-P447 HydrophobicContact CG2-CG 4.23Å; P447-L478 HydrophobicContact CG-CD1 3.99Å; P447-M483 VanDerWaalsContact CD-SD 3.56Å; P447-R539 PolarHBondContact O-NE 3.14Å; P447-R539 PolarHBondContact O-NH2 3.35Å; P447-R539 VanDerWaalsContact O-NH2 3.08Å
448	P	86.8	Confident	90.4	Very high	85 Å²	85	43.6 Å²	43.6	55%	0.552	26%	0.26	S	S	*	.	S	Bend	trans	-74.5	-27.6	-176.6	28.7	-34.6	0	0	0	113.5	G421	G421-P448 VanDerWaalsContact O-CG 3.29Å; G421-P448 WeakPolarHBondContact O-CG 3.26Å
449	K	85.6	Confident	90.5	Very high	90 Å²	90	41.2 Å²	41.2	39%	0.391	24%	0.244	S	C	.	.	S	Bend	trans	-126.6	160.3	-179.2	-64.7	-176.8	177.7	177.1	0	110.9	D185 V451 R539	D185-K449 PolarHBondContact O-NZ 2.66Å; K449-V451 HydrophobicContact CB-CG2 4.26Å; K449-V451 PolarHBondContact O-N 2.89Å; K449-R539 PolarHBondContact O-NH2 3.37Å
450	D	89.8	Confident	90.7	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.102	24%	0.241	C	C	.	.	S	Bend	trans	-88.6	73.6	178.1	-63.9	-45.8	0	0	0	111.4	R480 F481 Y484 R539	D450-R480 CarbonylContact C-O 3.57Å; D450-R480 VanDerWaalsContact CA-O 3.23Å; D450-R480 WeakPolarHBondContact CA-O 3.37Å; D450-R480 HydrophobicContact CB-CG 4.41Å; D450-R480 WeakPolarHBondContact CB-O 3.3Å; D450-R480 WeakPolarHBondContact O-CG 3.45Å; D450-F481 HydrophobicContact CB-CD1 3.87Å; D450-F481 HydrophobicContact CB-CE1 4.02Å; D450-Y484 WeakPolarHBondContact OD1-CE2 3.37Å; D450-Y484 PolarHBondContact OD2-OH 2.68Å; D450-R539 VanDerWaalsContact CG-NH1 3.28Å; D450-R539 IonicContact OD1-CZ 2.79Å; D450-R539 IonicContact OD1-NH1 3.46Å; D450-R539 PolarHBondContact OD1-NH1 3.49Å; D450-R539 IonicContact OD1-NH2 3.28Å; D450-R539 PolarHBondContact OD1-NH2 3.49Å; D450-R539 IonicContact OD2-CZ 3.68Å; D450-R539 IonicContact OD2-NH1 3.99Å; D450-R539 PolarHBondContact OD2-NH1 2.95Å
451	V	87.2	Confident	90.8	Very high	51 Å²	51	39.3 Å²	39.3	31%	0.309	22%	0.223	S	C	.	.			trans	-128.2	138.2	178.7	-178.7	0	0	0	0	107.7	T201 K449 V453	T201-V451 HydrophobicContact CG2-CG1 4.14Å; T201-V451 HydrophobicContact CG2-CG2 4.32Å; K449-V451 HydrophobicContact CB-CG2 4.26Å; K449-V451 PolarHBondContact O-N 2.89Å; V451-V453 WeakPolarHBondContact O-CG2 3.41Å; V451-V453 PolarHBondContact O-N 3.44Å
452	P	89.2	Confident	90.6	Very high	55 Å²	55	38.5 Å²	38.5	36%	0.357	22%	0.219	S	C	.	.			trans	-65.2	131.2	173	28.2	-34.3	0	0	0	109.9	L478	P452-L478 VanDerWaalsContact CA-O 3.32Å; P452-L478 WeakPolarHBondContact CA-O 3.49Å
453	V	89.2	Confident	90.5	Very high	22 Å²	22	39 Å²	39	13%	0.133	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.6	-177.6	-176.4	0	0	0	0	110.8	A419 I422 V451 L478	A419-V453 HydrophobicContact CB-CG1 4.14Å; I422-V453 HydrophobicContact CD1-CB 3.66Å; I422-V453 HydrophobicContact CD1-CG1 3.5Å; I422-V453 HydrophobicContact CD1-CG2 3.88Å; I422-V453 HydrophobicContact CG1-CB 4.37Å; I422-V453 HydrophobicContact CG1-CG1 4.08Å; I422-V453 HydrophobicContact CG1-CG2 4.11Å; V451-V453 WeakPolarHBondContact O-CG2 3.41Å; V451-V453 PolarHBondContact O-N 3.44Å; V453-L478 PolarHBondContact N-O 2.98Å; V453-L478 VanDerWaalsContact N-O 3.16Å; V453-L478 PolarHBondContact O-N 2.89Å
454	D	90.6	Very high	90.2	Very high	73 Å²	73	47.5 Å²	47.5	39%	0.39	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	122.2	173.2	-63.2	-27.5	0	0	0	110.5	T475 Q477	D454-T475 HydrophobicContact CB-CG2 4.35Å; D454-Q477 WeakPolarHBondContact OD1-CB 3.1Å; D454-Q477 VanDerWaalsContact OD1-CG 3.27Å; D454-Q477 WeakPolarHBondContact OD1-CG 3.07Å; D454-Q477 PolarHBondContact OD1-NE2 2.81Å
455	L	91.7	Very high	89.7	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	112	173.7	-52.9	-179.8	0	0	0	109	L402 I417 A419 I422 I445 L457 T475 R476 L478	L402-L455 HydrophobicContact CD2-CD1 4.15Å; I417-L455 HydrophobicContact CG2-CB 4.22Å; I417-L455 HydrophobicContact CG2-CD2 4.17Å; A419-L455 HydrophobicContact CB-CD2 3.46Å; A419-L455 VanDerWaalsContact CB-CD2 3.46Å; I422-L455 HydrophobicContact CD1-CD2 3.95Å; I445-L455 HydrophobicContact CD1-CD1 3.56Å; L455-L457 HydrophobicContact CB-CD2 4.39Å; L455-T475 WeakPolarHBondContact O-CA 3.18Å; L455-R476 WeakPolarHBondContact CA-O 3.36Å; L455-R476 VanDerWaalsContact CB-O 3.31Å; L455-R476 WeakPolarHBondContact CB-O 3.41Å; L455-R476 PolarHBondContact N-O 2.93Å; L455-R476 PolarHBondContact O-N 2.83Å; L455-L478 HydrophobicContact CD1-CD1 3.9Å; L455-L478 HydrophobicContact CD1-CD2 4.32Å; L455-L478 HydrophobicContact CD1-CG 3.79Å; L455-L478 HydrophobicContact CD2-CD1 3.99Å; L455-L478 HydrophobicContact CD2-CG 4.45Å; L455-L478 HydrophobicContact CG-CD1 4.15Å; L455-L478 HydrophobicContact CG-CG 4.09Å
456	H	93.2	Very high	89.3	Confident	86 Å²	86	48.5 Å²	48.5	40%	0.398	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	105.8	170.5	-56.8	-68.2	0	0	0	109.5	F418 T475	F418-H456 HydrophobicContact CB-CB 4.21Å; F418-H456 PolarHBondContact N-O 3Å; F418-H456 PolarHBondContact O-N 2.98Å; H456-T475 WeakPolarHBondContact ND1-CG2 3.44Å; H456-T475 PolarHBondContact ND1-OG1 3.06Å
457	L	93.7	Very high	89	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.7	-175.7	-54.9	168.9	0	0	0	109.6	T385 L402 I404 L416 I417 L455 E473 L474 R476	T385-L457 HydrophobicContact CG2-CD1 4.37Å; L402-L457 HydrophobicContact CD2-CD1 3.9Å; L402-L457 HydrophobicContact CD2-CD2 3.65Å; L402-L457 HydrophobicContact CD2-CG 4.42Å; I404-L457 HydrophobicContact CD1-CD1 4.17Å; I404-L457 HydrophobicContact CD1-CD2 4.38Å; L416-L457 CarbonylContact O-C 3.57Å; I417-L457 HydrophobicContact CB-CD2 4.04Å; I417-L457 HydrophobicContact CD1-CD2 3.83Å; I417-L457 HydrophobicContact CG1-CD2 3.55Å; I417-L457 HydrophobicContact CG2-CD2 3.75Å; L455-L457 HydrophobicContact CB-CD2 4.39Å; L457-E473 WeakPolarHBondContact O-CA 3.35Å; L457-L474 HydrophobicContact CB-CB 4.38Å; L457-L474 WeakPolarHBondContact CB-O 3.12Å; L457-L474 HydrophobicContact CD1-CD2 4.27Å; L457-L474 PolarHBondContact N-O 3.48Å; L457-L474 PolarHBondContact O-N 3.09Å; L457-R476 HydrophobicContact CD1-CG 4.26Å
458	K	95.3	Very high	88.8	Confident	70 Å²	70	57.5 Å²	57.5	30%	0.304	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	99.4	166.9	-56.2	-163.9	-176	-142.5	0	108.5	L416 F418 V471 F472 E473	L416-K458 HydrophobicContact CB-CB 4.23Å; L416-K458 PolarHBondContact N-O 3.45Å; L416-K458 PolarHBondContact O-N 3.49Å; F418-K458 HydrophobicContact CD2-CG 4.48Å; F418-K458 HydrophobicContact CE2-CD 4.03Å; F418-K458 HydrophobicContact CE2-CG 4.27Å; K458-V471 HydrophobicContact CB-CG1 3.92Å; K458-V471 HydrophobicContact CD-CG1 4.44Å; K458-F472 WeakPolarHBondContact CA-O 3.48Å; K458-E473 WeakPolarHBondContact CE-OE1 3.48Å; K458-E473 HydrophobicContact CG-CG 4.36Å; K458-E473 IonicContact NZ-OE1 3.39Å; K458-E473 PolarHBondContact NZ-OE1 2.91Å
459	A	93.9	Very high	88.9	Confident	3 Å²	3	56.2 Å²	56.2	3%	0.025	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.4	-178.5	0	0	0	0	0	110.4	L383 V415 F472	L383-A459 HydrophobicContact CD1-CB 3.91Å; L383-A459 HydrophobicContact CD2-CB 4.28Å; V415-A459 HydrophobicContact CG2-CB 4.38Å; A459-F472 PolarHBondContact N-O 3.22Å; A459-F472 PolarHBondContact O-N 3.27Å
460	F	94.1	Very high	89.2	Confident	61 Å²	61	56.1 Å²	56.1	27%	0.268	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	110.8	-179.8	-67.9	10.5	0	0	0	108.4	R413 A414 L416 F469 H470 V471	R413-F460 HydrophobicContact CB-CB 4.3Å; R413-F460 PolarHBondContact N-O 3.27Å; A414-F460 HydrophobicContact CB-CB 4.24Å; A414-F460 HydrophobicContact CB-CD2 4.01Å; A414-F460 HydrophobicContact CB-CG 4.25Å; A414-F460 PolarHBondContact O-N 2.83Å; L416-F460 HydrophobicContact CD1-CE1 3.68Å; L416-F460 HydrophobicContact CD1-CE2 4.19Å; L416-F460 HydrophobicContact CD1-CZ 3.44Å; L416-F460 VanDerWaalsContact CD1-CZ 3.44Å; F460-F469 HydrophobicContact CB-CB 4.26Å; F460-H470 WeakPolarHBondContact CA-O 3.18Å; F460-V471 HydrophobicContact CD1-CB 4.3Å; F460-V471 HydrophobicContact CD1-CG1 4.02Å; F460-V471 HydrophobicContact CD1-CG2 3.73Å; F460-V471 HydrophobicContact CE1-CB 4.31Å; F460-V471 HydrophobicContact CE1-CG1 3.8Å; F460-V471 HydrophobicContact CE1-CG2 3.61Å; F460-V471 HydrophobicContact CZ-CG2 4.29Å
461	V	92.3	Very high	89.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137	-173.5	-176.9	0	0	0	0	110.1	T381 L383 T406 T410 I411 H470 F472	T381-V461 HydrophobicContact CG2-CG1 4.18Å; L383-V461 HydrophobicContact CD1-CG2 4.19Å; L383-V461 HydrophobicContact CD2-CG2 4.32Å; T406-V461 HydrophobicContact CG2-CG1 3.99Å; T406-V461 HydrophobicContact CG2-CG2 4.25Å; T410-V461 HydrophobicContact CG2-CG1 4.36Å; I411-V461 WeakPolarHBondContact O-CA 3.44Å; V461-H470 PolarHBondContact N-O 3.12Å; V461-H470 PolarHBondContact O-N 3.1Å; V461-F472 HydrophobicContact CB-CD2 4.01Å; V461-F472 HydrophobicContact CB-CE2 4.01Å; V461-F472 HydrophobicContact CG1-CE2 4.49Å; V461-F472 HydrophobicContact CG2-CD2 3.75Å; V461-F472 HydrophobicContact CG2-CE2 4.15Å
462	G	89.9	Confident	89.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	-147.3	176.6	0	0	0	0	0	112.8	I411	I411-G462 WeakPolarHBondContact CG1-O 3.06Å; I411-G462 PolarHBondContact N-O 3.07Å; I411-G462 PolarHBondContact O-N 3.19Å; I411-G462 VanDerWaalsContact O-N 3.09Å
463	Y	87.4	Confident	89.9	Confident	71 Å²	71	63.1 Å²	63.1	28%	0.278	31%	0.307	S	S	.	.			trans	-118	165.5	176.4	-68.7	-73.9	0	0	0	111.7	I376 I411 S465 S466	I376-Y463 WeakPolarHBondContact O-CE2 3.49Å; I411-Y463 VanDerWaalsContact CD1-C 3.43Å; Y463-S465 VanDerWaalsContact C-N 3.32Å; Y463-S465 PolarHBondContact O-N 3.31Å; Y463-S466 WeakPolarHBondContact O-CB 3.33Å; Y463-S466 PolarHBondContact O-N 2.86Å; Y463-S466 VanDerWaalsContact O-N 3.16Å
464	R	83.3	Confident	90.1	Very high	180 Å²	180	64.4 Å²	64.4	68%	0.679	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-36.8	-170.3	-70.2	-171.8	177.1	-156.6	-4.4	113.9	I411 L437	I411-R464 VanDerWaalsContact CD1-CA 3.42Å; I411-R464 HydrophobicContact CD1-CB 4.03Å; I411-R464 HydrophobicContact CD1-CG 3.45Å; I411-R464 VanDerWaalsContact CD1-CG 3.45Å; I411-R464 VanDerWaalsContact CD1-N 3.27Å; L437-R464 PolarHBondContact O-NH2 2.98Å
465	S	81.3	Confident	90.2	Very high	71 Å²	71	64.4 Å²	64.4	50%	0.497	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	10.6	-177.9	53.8	0	0	0	0	113.2	Y463	Y463-S465 VanDerWaalsContact C-N 3.32Å; Y463-S465 PolarHBondContact O-N 3.31Å
466	S	81.4	Confident	90.2	Very high	12 Å²	12	69.1 Å²	69.1	8%	0.084	33%	0.334	C	S	.	.			trans	-75.3	144.9	-178.8	-164.9	0	0	0	0	111.9	G375 Y463 Q468 F469	G375-S466 WeakPolarHBondContact CA-OG 3.33Å; Y463-S466 WeakPolarHBondContact O-CB 3.33Å; Y463-S466 PolarHBondContact O-N 2.86Å; Y463-S466 VanDerWaalsContact O-N 3.16Å; S466-Q468 PolarHBondContact OG-N 3.17Å; S466-Q468 PolarHBondContact OG-O 3.05Å; S466-F469 VanDerWaalsContact O-CZ 3.22Å; S466-F469 WeakPolarHBondContact O-CZ 3.1Å
467	T	84.3	Confident	90.1	Very high	118 Å²	118	70.6 Å²	70.6	72%	0.724	34%	0.341	S	S	*	.	S	Bend	trans	-96.4	-25.1	170.9	55.7	0	0	0	0	112.3
468	Q	85.7	Confident	90	Very high	137 Å²	137	70.4 Å²	70.4	64%	0.64	34%	0.34	S	S	*	.			trans	-114.4	138.7	177.3	-63.6	-175	1.5	0	0	110	S466	S466-Q468 PolarHBondContact OG-N 3.17Å; S466-Q468 PolarHBondContact OG-O 3.05Å
469	F	88.9	Confident	89.9	Confident	58 Å²	58	68 Å²	68	25%	0.254	33%	0.331	S	S	.	.			trans	-128	148.4	-178.1	-61.1	-86.1	0	0	0	109.6	R413 F460 S466	R413-F469 HydrophobicContact CB-CD1 3.9Å; R413-F469 HydrophobicContact CB-CE1 3.75Å; R413-F469 HydrophobicContact CB-CG 4.46Å; R413-F469 HydrophobicContact CB-CZ 4.19Å; R413-F469 HydrophobicContact CG-CD1 4.31Å; R413-F469 HydrophobicContact CG-CD2 4.5Å; R413-F469 HydrophobicContact CG-CE1 3.9Å; R413-F469 HydrophobicContact CG-CE2 4.09Å; R413-F469 HydrophobicContact CG-CZ 3.78Å; F460-F469 HydrophobicContact CB-CB 4.26Å; S466-F469 VanDerWaalsContact O-CZ 3.22Å; S466-F469 WeakPolarHBondContact O-CZ 3.1Å
470	H	90.4	Very high	89.8	Confident	88 Å²	88	71.3 Å²	71.3	41%	0.407	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.1	171	-74.1	-98.9	0	0	0	109.5	I377 F460 V461 F472	I377-H470 HydrophobicContact CD1-CB 3.71Å; I377-H470 VanDerWaalsContact CD1-CG 3.48Å; F460-H470 WeakPolarHBondContact CA-O 3.18Å; V461-H470 PolarHBondContact N-O 3.12Å; V461-H470 PolarHBondContact O-N 3.1Å; H470-F472 HydrophobicContact CB-CD2 4.23Å; H470-F472 HydrophobicContact CB-CE2 3.86Å
471	V	94.3	Very high	89.8	Confident	73 Å²	73	68.4 Å²	68.4	44%	0.442	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	109.4	175.2	-175.1	0	0	0	0	108	K458 F460	K458-V471 HydrophobicContact CB-CG1 3.92Å; K458-V471 HydrophobicContact CD-CG1 4.44Å; F460-V471 HydrophobicContact CD1-CB 4.3Å; F460-V471 HydrophobicContact CD1-CG1 4.02Å; F460-V471 HydrophobicContact CD1-CG2 3.73Å; F460-V471 HydrophobicContact CE1-CB 4.31Å; F460-V471 HydrophobicContact CE1-CG1 3.8Å; F460-V471 HydrophobicContact CE1-CG2 3.61Å; F460-V471 HydrophobicContact CZ-CG2 4.29Å
472	F	93.6	Very high	89.8	Confident	61 Å²	61	68.6 Å²	68.6	27%	0.268	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.1	172.3	-75.9	-102	0	0	0	109.6	I377 T381 L383 K458 A459 V461 H470	I377-F472 HydrophobicContact CD1-CE2 3.66Å; I377-F472 HydrophobicContact CD1-CZ 3.85Å; T381-F472 HydrophobicContact CG2-CZ 4.45Å; L383-F472 HydrophobicContact CD1-CB 3.12Å; L383-F472 HydrophobicContact CD1-CD1 3.94Å; L383-F472 HydrophobicContact CD1-CD2 4.05Å; L383-F472 HydrophobicContact CD1-CG 3.46Å; L383-F472 VanDerWaalsContact CD1-CG 3.46Å; K458-F472 WeakPolarHBondContact CA-O 3.48Å; A459-F472 PolarHBondContact N-O 3.22Å; A459-F472 PolarHBondContact O-N 3.27Å; V461-F472 HydrophobicContact CB-CD2 4.01Å; V461-F472 HydrophobicContact CB-CE2 4.01Å; V461-F472 HydrophobicContact CG1-CE2 4.49Å; V461-F472 HydrophobicContact CG2-CD2 3.75Å; V461-F472 HydrophobicContact CG2-CE2 4.15Å; H470-F472 HydrophobicContact CB-CD2 4.23Å; H470-F472 HydrophobicContact CB-CE2 3.86Å
473	E	94.1	Very high	89.9	Confident	137 Å²	137	68.8 Å²	68.8	64%	0.64	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.6	177.3	-54.3	-165.3	156.3	0	0	109.6	L457 K458	L457-E473 WeakPolarHBondContact O-CA 3.35Å; K458-E473 WeakPolarHBondContact CE-OE1 3.48Å; K458-E473 HydrophobicContact CG-CG 4.36Å; K458-E473 IonicContact NZ-OE1 3.39Å; K458-E473 PolarHBondContact NZ-OE1 2.91Å
474	L	92.6	Very high	90.1	Very high	49 Å²	49	65.6 Å²	65.6	26%	0.257	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.3	177.5	-168.7	79.6	0	0	0	109.3	T385 L457 R476	T385-L474 HydrophobicContact CG2-CD2 3.44Å; T385-L474 VanDerWaalsContact CG2-CD2 3.44Å; T385-L474 WeakPolarHBondContact OG1-CD2 3.23Å; L457-L474 HydrophobicContact CB-CB 4.38Å; L457-L474 WeakPolarHBondContact CB-O 3.12Å; L457-L474 HydrophobicContact CD1-CD2 4.27Å; L457-L474 PolarHBondContact N-O 3.48Å; L457-L474 PolarHBondContact O-N 3.09Å; L474-R476 HydrophobicContact CD2-CG 3.95Å
475	T	92.7	Very high	90.5	Very high	74 Å²	74	57.4 Å²	57.4	45%	0.454	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.2	171.5	-56.7	0	0	0	0	109.8	D454 L455 H456	D454-T475 HydrophobicContact CB-CG2 4.35Å; L455-T475 WeakPolarHBondContact O-CA 3.18Å; H456-T475 WeakPolarHBondContact ND1-CG2 3.44Å; H456-T475 PolarHBondContact ND1-OG1 3.06Å
476	R	91.8	Very high	91	Very high	98 Å²	98	56.7 Å²	56.7	37%	0.37	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.4	175.2	-74.7	-58.5	-164.3	-138.8	2.2	110	T385 L455 L457 L474	T385-R476 PolarHBondContact OG1-NE 2.91Å; T385-R476 PolarHBondContact OG1-NH2 3.19Å; L455-R476 WeakPolarHBondContact CA-O 3.36Å; L455-R476 VanDerWaalsContact CB-O 3.31Å; L455-R476 WeakPolarHBondContact CB-O 3.41Å; L455-R476 PolarHBondContact N-O 2.93Å; L455-R476 PolarHBondContact O-N 2.83Å; L457-R476 HydrophobicContact CD1-CG 4.26Å; L474-R476 HydrophobicContact CD2-CG 3.95Å
477	Q	91.6	Very high	91.3	Very high	117 Å²	117	57.8 Å²	57.8	55%	0.547	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.6	178.1	-175.4	167.3	71.6	0	0	110	D454	D454-Q477 WeakPolarHBondContact OD1-CB 3.1Å; D454-Q477 VanDerWaalsContact OD1-CG 3.27Å; D454-Q477 WeakPolarHBondContact OD1-CG 3.07Å; D454-Q477 PolarHBondContact OD1-NE2 2.81Å
478	L	91.8	Very high	91.3	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.2	163.7	-73.5	175	0	0	0	108.6	L387 T400 I422 I445 P447 P452 V453 L455	L387-L478 HydrophobicContact CD1-CD2 3.96Å; L387-L478 HydrophobicContact CD2-CD2 3.63Å; L387-L478 HydrophobicContact CG-CD2 4.42Å; T400-L478 HydrophobicContact CG2-CD2 4.12Å; I422-L478 HydrophobicContact CD1-CD1 3.89Å; I445-L478 HydrophobicContact CD1-CD1 4.48Å; I445-L478 HydrophobicContact CG2-CD1 3.98Å; P447-L478 HydrophobicContact CG-CD1 3.99Å; P452-L478 VanDerWaalsContact CA-O 3.32Å; P452-L478 WeakPolarHBondContact CA-O 3.49Å; V453-L478 PolarHBondContact N-O 2.98Å; V453-L478 VanDerWaalsContact N-O 3.16Å; V453-L478 PolarHBondContact O-N 2.89Å; L455-L478 HydrophobicContact CD1-CD1 3.9Å; L455-L478 HydrophobicContact CD1-CD2 4.32Å; L455-L478 HydrophobicContact CD1-CG 3.79Å; L455-L478 HydrophobicContact CD2-CD1 3.99Å; L455-L478 HydrophobicContact CD2-CG 4.45Å; L455-L478 HydrophobicContact CG-CD1 4.15Å; L455-L478 HydrophobicContact CG-CG 4.09Å
479	P	92.6	Very high	91.1	Very high	18 Å²	18	55 Å²	55	12%	0.117	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-70.4	161.5	177.6	32.8	-36.6	0	0	0	110.7	F481 S482 Q516 L519	P479-F481 VanDerWaalsContact C-N 3.34Å; P479-F481 PolarHBondContact O-N 3.26Å; P479-S482 WeakPolarHBondContact O-CB 3.49Å; P479-S482 PolarHBondContact O-N 2.91Å; P479-Q516 WeakPolarHBondContact CB-O 3.35Å; P479-L519 HydrophobicContact CG-CD2 3.68Å; P479-L519 HydrophobicContact CG-CG 3.73Å
480	R	91.9	Very high	90.9	Very high	74 Å²	74	55.9 Å²	55.9	28%	0.279	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-46.8	-172.8	-172	179.6	-71.9	-143.8	-3.6	113.4	D450	D450-R480 CarbonylContact C-O 3.57Å; D450-R480 VanDerWaalsContact CA-O 3.23Å; D450-R480 WeakPolarHBondContact CA-O 3.37Å; D450-R480 HydrophobicContact CB-CG 4.41Å; D450-R480 WeakPolarHBondContact CB-O 3.3Å; D450-R480 WeakPolarHBondContact O-CG 3.45Å
481	F	94.3	Very high	90.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-104.3	51.3	-176.4	-55.8	-65.6	0	0	0	110.9	D450 P479 M483 Y484 W513 N517 F518 L563 D566 I567	D450-F481 HydrophobicContact CB-CD1 3.87Å; D450-F481 HydrophobicContact CB-CE1 4.02Å; P479-F481 VanDerWaalsContact C-N 3.34Å; P479-F481 PolarHBondContact O-N 3.26Å; F481-M483 VanDerWaalsContact C-N 3.27Å; F481-M483 PolarHBondContact O-N 2.95Å; F481-Y484 HydrophobicContact CB-CD2 3.7Å; F481-Y484 HydrophobicContact CB-CE2 4.2Å; F481-Y484 HydrophobicContact CD1-CD2 4.39Å; F481-Y484 HydrophobicContact CD1-CE2 4.06Å; F481-W513 HydrophobicContact CE2-CH2 4.19Å; F481-W513 AromaticContact CE2-CZ2 3.9Å; F481-W513 HydrophobicContact CE2-CZ2 3.9Å; F481-N517 WeakPolarHBondContact CA-O 3.42Å; F481-N517 WeakPolarHBondContact CB-O 3.37Å; F481-N517 HydrophobicContact CD2-CB 3.88Å; F481-N517 HydrophobicContact CE2-CB 4.32Å; F481-N517 PolarHBondContact N-O 2.93Å; F481-F518 HydrophobicContact CB-CD1 3.7Å; F481-F518 HydrophobicContact CB-CD2 4.27Å; F481-F518 HydrophobicContact CB-CE1 3.41Å; F481-F518 VanDerWaalsContact CB-CE1 3.41Å; F481-F518 HydrophobicContact CB-CE2 4.01Å; F481-F518 HydrophobicContact CB-CG 4.12Å; F481-F518 HydrophobicContact CB-CZ 3.58Å; F481-F518 HydrophobicContact CD2-CD2 4.17Å; F481-F518 HydrophobicContact CD2-CE1 4.36Å; F481-F518 AromaticContact CD2-CE2 3.51Å; F481-F518 HydrophobicContact CD2-CE2 3.51Å; F481-F518 AromaticContact CD2-CZ 3.62Å; F481-F518 HydrophobicContact CD2-CZ 3.62Å; F481-F518 HydrophobicContact CE2-CE2 4.32Å; F481-F518 HydrophobicContact CE2-CZ 4.48Å; F481-F518 HydrophobicContact CG-CE1 4.04Å; F481-F518 HydrophobicContact CG-CE2 4.03Å; F481-F518 AromaticContact CG-CZ 3.69Å; F481-F518 HydrophobicContact CG-CZ 3.69Å; F481-L563 HydrophobicContact CD1-CD1 4.18Å; F481-L563 HydrophobicContact CE1-CD1 4.13Å; F481-D566 HydrophobicContact CE1-CB 4Å; F481-D566 HydrophobicContact CZ-CB 4.2Å; F481-I567 HydrophobicContact CE1-CG1 4.07Å; F481-I567 HydrophobicContact CE2-CG1 4.23Å; F481-I567 HydrophobicContact CZ-CG1 3.8Å
482	S	91.9	Very high	89.5	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.021	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.8	-177.5	74.4	0	0	0	0	113.9	T400 P479 Y484	T400-S482 PolarHBondContact OG1-O 3.05Å; P479-S482 WeakPolarHBondContact O-CB 3.49Å; P479-S482 PolarHBondContact O-N 2.91Å; S482-Y484 VanDerWaalsContact C-N 3.27Å; S482-Y484 PolarHBondContact O-N 2.84Å
483	M	91.7	Very high	88.9	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.02	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	18.4	-174.5	-68.3	-63.2	-79.5	0	0	114.1	T400 A446 P447 F481 L538 R539	T400-M483 PolarHBondContact OG1-SD 2.92Å; A446-M483 HydrophobicContact CB-CE 4.02Å; P447-M483 VanDerWaalsContact CD-SD 3.56Å; F481-M483 VanDerWaalsContact C-N 3.27Å; F481-M483 PolarHBondContact O-N 2.95Å; M483-L538 HydrophobicContact CB-CD1 4.47Å; M483-L538 HydrophobicContact CE-CB 3.79Å; M483-L538 HydrophobicContact CE-CD1 4.27Å; M483-L538 VanDerWaalsContact O-CG 3.24Å; M483-L538 WeakPolarHBondContact O-CG 3.31Å; M483-L538 PolarHBondContact O-N 2.8Å; M483-L538 HydrophobicContact SD-CB 4.47Å; M483-L538 HydrophobicContact SD-CD1 3.94Å; M483-R539 HydrophobicContact CB-CG 4.36Å; M483-R539 HydrophobicContact CE-CG 3.95Å
484	Y	92.7	Very high	88.5	Confident	5 Å²	5	53.1 Å²	53.1	2%	0.02	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	105.8	-177.4	-63.2	-81.7	0	0	0	109.4	D450 F481 S482 F518 R539 L544 L563	D450-Y484 WeakPolarHBondContact OD1-CE2 3.37Å; D450-Y484 PolarHBondContact OD2-OH 2.68Å; F481-Y484 HydrophobicContact CB-CD2 3.7Å; F481-Y484 HydrophobicContact CB-CE2 4.2Å; F481-Y484 HydrophobicContact CD1-CD2 4.39Å; F481-Y484 HydrophobicContact CD1-CE2 4.06Å; S482-Y484 VanDerWaalsContact C-N 3.27Å; S482-Y484 PolarHBondContact O-N 2.84Å; Y484-F518 HydrophobicContact CD2-CE1 4.28Å; Y484-F518 HydrophobicContact CG-CE1 4.18Å; Y484-R539 PolarHBondContact OH-NH1 2.64Å; Y484-L544 HydrophobicContact CD1-CD2 4.47Å; Y484-L563 HydrophobicContact CD1-CD2 4.42Å; Y484-L563 HydrophobicContact CE1-CD1 4.07Å; Y484-L563 HydrophobicContact CE1-CD2 3.49Å; Y484-L563 VanDerWaalsContact CE1-CD2 3.49Å; Y484-L563 HydrophobicContact CE1-CG 4.42Å; Y484-L563 HydrophobicContact CE2-CD1 3.94Å; Y484-L563 VanDerWaalsContact CZ-CD1 3.48Å; Y484-L563 VanDerWaalsContact OH-CD1 3.27Å; Y484-L563 WeakPolarHBondContact OH-CD1 3.44Å
485	A	91.1	Very high	88.4	Confident	8 Å²	8	51.2 Å²	51.2	7%	0.066	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132	179.5	0	0	0	0	0	110.4	V389 L391 T487 F535 T536 L538	V389-A485 HydrophobicContact CB-CB 4.44Å; V389-A485 HydrophobicContact CG1-CB 3.63Å; L391-A485 HydrophobicContact CD2-CB 3.73Å; A485-T487 PolarHBondContact O-N 2.78Å; A485-F535 CarbonylContact O-C 3.52Å; A485-F535 WeakPolarHBondContact O-CA 3.46Å; A485-T536 PolarHBondContact N-O 2.85Å; A485-T536 PolarHBondContact O-N 3.23Å; A485-L538 HydrophobicContact CB-CD2 4.12Å
486	L	91.2	Very high	88.4	Confident	56 Å²	56	54.3 Å²	54.3	29%	0.293	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	125.1	172.2	-172.8	76.4	0	0	0	109.6	L520 T524 V533 C534 F535	L486-L520 HydrophobicContact CD2-CD2 4.41Å; L486-T524 HydrophobicContact CD2-CG2 3.36Å; L486-V533 HydrophobicContact CD1-CB 4.08Å; L486-V533 HydrophobicContact CD1-CG1 4.37Å; L486-C534 WeakPolarHBondContact CD1-O 3.5Å; L486-F535 HydrophobicContact CB-CD1 4.11Å; L486-F535 HydrophobicContact CB-CE1 3.96Å; L486-F535 HydrophobicContact CD1-CD1 4.13Å; L486-F535 HydrophobicContact CD1-CE1 3.69Å; L486-F535 HydrophobicContact CD1-CE2 4.5Å; L486-F535 HydrophobicContact CD1-CZ 3.89Å; L486-F535 HydrophobicContact CG-CE1 4.45Å
487	T	87.4	Confident	88.5	Confident	35 Å²	35	49.8 Å²	49.8	22%	0.215	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	165.4	-179.1	52.8	0	0	0	0	111.5	A485 C534 T536	A485-T487 PolarHBondContact O-N 2.78Å; T487-C534 PolarHBondContact N-O 3.42Å; T487-T536 WeakPolarHBondContact CG2-OG1 3.37Å; T487-T536 PolarHBondContact OG1-OG1 2.91Å
488	S	84.9	Confident	88.7	Confident	106 Å²	106	47.3 Å²	47.3	74%	0.741	27%	0.273	S	S	*	.			trans	-65.6	144.9	175.5	53.6	0	0	0	0	111.1	D490	S488-D490 PolarHBondContact O-N 3.39Å
489	L	82.8	Confident	88.9	Confident	91 Å²	91	47.3 Å²	47.3	48%	0.476	27%	0.272	S	S	.	.			trans	-65.3	121.1	177.5	-63.8	162.8	0	0	0	110.6	Q532 C534 Y545	L489-Q532 HydrophobicContact CD2-CB 4.5Å; L489-Q532 HydrophobicContact CD2-CG 3.65Å; L489-C534 HydrophobicContact CD2-CB 3.86Å; L489-Y545 HydrophobicContact CD2-CD1 4.16Å; L489-Y545 HydrophobicContact CD2-CE1 3.88Å
490	D	83.8	Confident	89	Confident	75 Å²	75	47.7 Å²	47.7	40%	0.401	27%	0.273	S	S	.	.			trans	-124.7	100.9	171.6	173.5	26.7	0	0	0	110	S488 A492 S493 Y545	S488-D490 PolarHBondContact O-N 3.39Å; D490-A492 PolarHBondContact O-N 3.24Å; D490-A492 WeakPolarHBondContact OD1-CB 3.23Å; D490-A492 PolarHBondContact OD1-N 3.26Å; D490-A492 VanDerWaalsContact OD1-N 3.17Å; D490-S493 WeakPolarHBondContact CB-OG 3.28Å; D490-S493 PolarHBondContact O-N 3.31Å; D490-S493 VanDerWaalsContact O-N 3.12Å; D490-S493 PolarHBondContact O-OG 3.05Å; D490-S493 PolarHBondContact OD2-OG 3.4Å; D490-Y545 PolarHBondContact N-OH 2.89Å; D490-Y545 PolarHBondContact O-OH 2.83Å
491	P	77.4	Confident	89.1	Confident	107 Å²	107	44.5 Å²	44.5	70%	0.695	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-59.5	-21.6	-178.2	-22.5	32.8	0	0	0	114.3	S493	P491-S493 VanDerWaalsContact C-N 3.3Å
492	A	78.7	Confident	88.9	Confident	95 Å²	95	49.2 Å²	49.2	79%	0.785	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-74.2	-22.3	-179.6	0	0	0	0	0	113.1	D490	D490-A492 PolarHBondContact O-N 3.24Å; D490-A492 WeakPolarHBondContact OD1-CB 3.23Å; D490-A492 PolarHBondContact OD1-N 3.26Å; D490-A492 VanDerWaalsContact OD1-N 3.17Å
493	S	79.1	Confident	88.5	Confident	33 Å²	33	49.9 Å²	49.9	23%	0.231	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-104.2	15.3	179.6	50.6	0	0	0	0	112.9	D490 P491 P495 H543	D490-S493 WeakPolarHBondContact CB-OG 3.28Å; D490-S493 PolarHBondContact O-N 3.31Å; D490-S493 VanDerWaalsContact O-N 3.12Å; D490-S493 PolarHBondContact O-OG 3.05Å; D490-S493 PolarHBondContact OD2-OG 3.4Å; P491-S493 VanDerWaalsContact C-N 3.3Å; S493-P495 WeakPolarHBondContact O-CD 3.4Å; S493-H543 PolarHBondContact O-CD2 2.82Å
494	E	87.3	Confident	87.8	Confident	66 Å²	66	55 Å²	55	31%	0.308	34%	0.337	S	S	.	.			trans	-68.9	125.4	177.9	-166.7	179.7	146.8	0	0	111.4	Y545 K547	E494-Y545 HydrophobicContact CB-CE2 4.27Å; E494-Y545 HydrophobicContact CG-CD2 4.09Å; E494-Y545 HydrophobicContact CG-CE2 4.18Å; E494-Y545 HydrophobicContact CG-CG 4.45Å; E494-K547 IonicContact OE1-NZ 3.86Å; E494-K547 PolarHBondContact OE1-NZ 3.41Å; E494-K547 IonicContact OE2-NZ 3.63Å; E494-K547 PolarHBondContact OE2-NZ 2.86Å
495	P	90.6	Very high	87.1	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.058	35%	0.353	C	S	.	.			trans	-58.1	138.7	173.6	-26.2	36.1	0	0	0	112.5	S493 S497 H543 Y545 N557	S493-P495 WeakPolarHBondContact O-CD 3.4Å; P495-S497 VanDerWaalsContact C-N 3.29Å; P495-H543 HydrophobicContact CG-CB 4.12Å; P495-Y545 HydrophobicContact CG-CD2 4.44Å; P495-N557 HydrophobicContact CB-CB 4.43Å
496	I	91.3	Very high	86.7	Confident	140 Å²	140	67.7 Å²	67.7	72%	0.718	39%	0.386	S	S	*	.	S	Bend	trans	-71.7	-32.2	176.1	-57.9	168.9	0	0	0	110.2	P587	I496-P587 HydrophobicContact CG2-CG 4.5Å
497	S	95.4	Very high	86.3	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.021	38%	0.383	C	S	.	.			trans	-70.9	139.6	-179	-50.6	0	0	0	0	111.1	P495 N557 T558 D559 D585	P495-S497 VanDerWaalsContact C-N 3.29Å; S497-N557 WeakPolarHBondContact O-CA 3.13Å; S497-T558 WeakPolarHBondContact CB-O 3.3Å; S497-T558 PolarHBondContact O-N 2.6Å; S497-D559 WeakPolarHBondContact CB-OD1 3.37Å; S497-D559 PolarHBondContact OG-OD1 3.34Å; S497-D585 VanDerWaalsContact CA-O 3.29Å; S497-D585 WeakPolarHBondContact CA-O 3.5Å
498	Y	95.4	Very high	86.2	Confident	65 Å²	65	69.3 Å²	69.3	26%	0.255	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	157	-177.9	72.1	-87.2	0	0	0	113.2	N500 I556 N557 A584 D585	Y498-N500 WeakPolarHBondContact CD2-ND2 3.46Å; Y498-N500 VanDerWaalsContact CE2-ND2 3.31Å; Y498-N500 WeakPolarHBondContact CE2-ND2 3.41Å; Y498-I556 CarbonylContact C-O 3.55Å; Y498-I556 VanDerWaalsContact CA-O 3.28Å; Y498-I556 WeakPolarHBondContact CA-O 3.47Å; Y498-N557 WeakPolarHBondContact CB-ND2 3.35Å; Y498-A584 WeakPolarHBondContact O-CA 3.23Å; Y498-D585 HydrophobicContact CD1-CB 4.38Å; Y498-D585 HydrophobicContact CE1-CB 3.83Å; Y498-D585 PolarHBondContact N-O 3.44Å; Y498-D585 PolarHBondContact O-N 3.01Å
499	V	95.8	Very high	86.3	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.6	168.3	-171.7	0	0	0	0	109.4	T555 I556 A564 I568 V582 E583 A584 F586 L685	V499-T555 WeakPolarHBondContact O-CA 3.39Å; V499-I556 PolarHBondContact N-O 2.89Å; V499-I556 PolarHBondContact O-N 2.89Å; V499-A564 HydrophobicContact CG2-CB 4.07Å; V499-I568 HydrophobicContact CB-CD1 4.34Å; V499-I568 HydrophobicContact CG1-CD1 3.67Å; V499-V582 HydrophobicContact CG1-CB 3.79Å; V499-V582 HydrophobicContact CG1-CG1 4.34Å; V499-V582 HydrophobicContact CG1-CG2 3.98Å; V499-E583 CarbonylContact C-O 3.54Å; V499-E583 WeakPolarHBondContact CA-O 3.43Å; V499-A584 HydrophobicContact CB-CB 4.45Å; V499-A584 HydrophobicContact CG1-CB 4.17Å; V499-A584 HydrophobicContact CG2-CB 3.88Å; V499-F586 HydrophobicContact CG2-CE2 3.65Å; V499-F586 HydrophobicContact CG2-CZ 3.45Å; V499-F586 VanDerWaalsContact CG2-CZ 3.45Å; V499-L685 HydrophobicContact CG2-CD2 4.12Å
500	N	94.8	Very high	86.5	Confident	26 Å²	26	64.3 Å²	64.3	14%	0.139	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.6	178.9	-67.8	-23	0	0	0	110.5	Y498 I554 T555 E583	Y498-N500 WeakPolarHBondContact CD2-ND2 3.46Å; Y498-N500 VanDerWaalsContact CE2-ND2 3.31Å; Y498-N500 WeakPolarHBondContact CE2-ND2 3.41Å; N500-I554 WeakPolarHBondContact CA-O 3.35Å; N500-T555 VanDerWaalsContact OD1-CB 3.22Å; N500-T555 WeakPolarHBondContact OD1-CB 3.3Å; N500-T555 WeakPolarHBondContact OD1-CG2 3.23Å; N500-T555 PolarHBondContact OD1-OG1 3.2Å; N500-E583 PolarHBondContact N-O 3.23Å; N500-E583 PolarHBondContact O-N 3.38Å
501	F	93.2	Very high	86.7	Confident	7 Å²	7	61.7 Å²	61.7	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	166.5	171.7	60.9	-79	0	0	0	110	I503 I554 I556 I568 M571 L580 V582	F501-I503 HydrophobicContact CD2-CD1 4.4Å; F501-I503 HydrophobicContact CD2-CG1 3.84Å; F501-I503 HydrophobicContact CE2-CD1 3.71Å; F501-I503 HydrophobicContact CE2-CG1 3.66Å; F501-I554 HydrophobicContact CE1-CB 4.19Å; F501-I554 HydrophobicContact CE1-CG2 4.11Å; F501-I554 HydrophobicContact CE2-CB 4.28Å; F501-I554 HydrophobicContact CE2-CD1 4.23Å; F501-I554 HydrophobicContact CZ-CB 4.01Å; F501-I554 HydrophobicContact CZ-CD1 4.35Å; F501-I554 HydrophobicContact CZ-CG2 3.96Å; F501-I554 PolarHBondContact N-O 3.08Å; F501-I554 VanDerWaalsContact N-O 3.11Å; F501-I554 PolarHBondContact O-N 3.19Å; F501-I556 HydrophobicContact CE1-CD1 3.7Å; F501-I556 HydrophobicContact CE1-CG1 4.16Å; F501-I556 HydrophobicContact CZ-CD1 4.18Å; F501-I568 HydrophobicContact CD1-CG1 4.41Å; F501-I568 HydrophobicContact CE1-CD1 4.31Å; F501-I568 HydrophobicContact CE1-CG1 3.8Å; F501-I568 HydrophobicContact CZ-CG1 4.1Å; F501-M571 HydrophobicContact CE2-SD 4.49Å; F501-M571 HydrophobicContact CZ-SD 3.94Å; F501-L580 HydrophobicContact CB-CD1 4.37Å; F501-L580 HydrophobicContact CD2-CD1 4.04Å; F501-L580 HydrophobicContact CD2-CD2 3.75Å; F501-L580 HydrophobicContact CD2-CG 4.37Å; F501-L580 HydrophobicContact CE2-CD2 4.05Å; F501-L580 HydrophobicContact CG-CD2 4.32Å; F501-V582 HydrophobicContact CB-CB 4.41Å; F501-V582 HydrophobicContact CB-CG1 3.95Å; F501-V582 HydrophobicContact CD1-CG1 4.47Å; F501-V582 HydrophobicContact CG-CG1 4.36Å
502	T	89.6	Confident	87.3	Confident	99 Å²	99	59.2 Å²	59.2	61%	0.607	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.3	-176.7	52.8	0	0	0	0	109.8	E553	T502-E553 HydrophobicContact CG2-CB 4.17Å; T502-E553 HydrophobicContact CG2-CG 4.11Å
503	I	83.7	Confident	87.9	Confident	17 Å²	17	54.7 Å²	54.7	9%	0.087	29%	0.286	C	S	.	.			trans	-115.5	132.1	172.6	-49.3	-174.2	0	0	0	109.2	F501 E505 G552 I554 F575 I577	F501-I503 HydrophobicContact CD2-CD1 4.4Å; F501-I503 HydrophobicContact CD2-CG1 3.84Å; F501-I503 HydrophobicContact CE2-CD1 3.71Å; F501-I503 HydrophobicContact CE2-CG1 3.66Å; I503-E505 HydrophobicContact CG2-CB 3.66Å; I503-E505 HydrophobicContact CG2-CG 3.9Å; I503-E505 PolarHBondContact O-N 2.88Å; I503-G552 PolarHBondContact N-O 2.7Å; I503-I554 HydrophobicContact CD1-CD1 3.46Å; I503-I554 VanDerWaalsContact CD1-CD1 3.46Å; I503-I554 HydrophobicContact CG1-CD1 3.87Å; I503-F575 HydrophobicContact CD1-CD2 3.71Å; I503-F575 HydrophobicContact CD1-CE2 3.69Å; I503-F575 HydrophobicContact CG2-CD2 4.49Å; I503-I577 HydrophobicContact CD1-CD1 4.26Å; I503-I577 HydrophobicContact CG1-CD1 4.34Å; I503-I577 HydrophobicContact CG2-CD1 3.77Å
504	A	78.3	Confident	88.5	Confident	112 Å²	112	53.1 Å²	53.1	93%	0.926	28%	0.275	S	S	*	.			trans	-81.5	51.3	172.4	0	0	0	0	0	112.3
505	E	78.3	Confident	88.6	Confident	78 Å²	78	53.1 Å²	53.1	36%	0.364	28%	0.282	S	S	.	.	S	Bend	trans	-129.4	162.3	-176.8	-87.4	-69.4	-177.7	0	0	113.8	I503 R509 F575	I503-E505 HydrophobicContact CG2-CB 3.66Å; I503-E505 HydrophobicContact CG2-CG 3.9Å; I503-E505 PolarHBondContact O-N 2.88Å; E505-R509 VanDerWaalsContact CD-NH1 3.31Å; E505-R509 IonicContact OE1-CZ 2.69Å; E505-R509 IonicContact OE1-NH1 3.99Å; E505-R509 PolarHBondContact OE1-NH1 2.86Å; E505-R509 WeakPolarHBondContact OE2-CD 3.45Å; E505-R509 IonicContact OE2-NH1 3.45Å; E505-F575 HydrophobicContact CB-CD1 4.2Å; E505-F575 HydrophobicContact CB-CE1 4.26Å; E505-F575 HydrophobicContact CG-CD1 3.84Å; E505-F575 HydrophobicContact CG-CE1 4.37Å; E505-F575 HydrophobicContact CG-CG 4.31Å
506	R	82.3	Confident	88.6	Confident	201 Å²	201	57.9 Å²	57.9	76%	0.758	30%	0.304	S	S	*	.			trans	-72.3	131.7	178.9	-62.3	-178.9	-176.9	175.5	1.6	110.5	Q508 R509	R506-Q508 PolarHBondContact O-N 2.87Å; R506-R509 WeakPolarHBondContact O-CB 3.43Å; R506-R509 PolarHBondContact O-N 2.64Å
507	A	82.2	Confident	88.7	Confident	26 Å²	26	52.7 Å²	52.7	22%	0.215	28%	0.278	C	S	.	.	H	α-helix	trans	-51.8	-33.6	175.9	0	0	0	0	0	113.6	R509 A510 V511 A529	A507-R509 VanDerWaalsContact C-N 3.29Å; A507-R509 PolarHBondContact O-N 2.81Å; A507-A510 WeakPolarHBondContact O-CB 3.44Å; A507-A510 PolarHBondContact O-N 2.9Å; A507-A510 VanDerWaalsContact O-N 3.08Å; A507-V511 PolarHBondContact O-N 3.49Å; A507-V511 VanDerWaalsContact O-N 3.1Å; A507-A529 HydrophobicContact CB-CB 3.67Å
508	Q	85.3	Confident	88.6	Confident	99 Å²	99	52.8 Å²	52.8	46%	0.463	28%	0.278	S	S	.	.	H	α-helix	trans	-60.8	-36	176.3	-169	62.6	23.5	0	0	112.9	R506 A510 V511 V512 N528	R506-Q508 PolarHBondContact O-N 2.87Å; Q508-A510 VanDerWaalsContact C-N 3.3Å; Q508-V511 PolarHBondContact O-N 3.16Å; Q508-V512 WeakPolarHBondContact O-CG2 3.23Å; Q508-V512 PolarHBondContact O-N 3.27Å; Q508-N528 PolarHBondContact OE1-OD1 3.43Å
509	R	87.8	Confident	88.3	Confident	87 Å²	87	51.1 Å²	51.1	33%	0.328	27%	0.273	S	S	.	.	H	α-helix	trans	-69.1	-31.8	176.2	-68.8	-170.3	66.7	-167.7	-2.7	111.5	E505 R506 A507 V512 W513 F574 F575	E505-R509 VanDerWaalsContact CD-NH1 3.31Å; E505-R509 IonicContact OE1-CZ 2.69Å; E505-R509 IonicContact OE1-NH1 3.99Å; E505-R509 PolarHBondContact OE1-NH1 2.86Å; E505-R509 WeakPolarHBondContact OE2-CD 3.45Å; E505-R509 IonicContact OE2-NH1 3.45Å; R506-R509 WeakPolarHBondContact O-CB 3.43Å; R506-R509 PolarHBondContact O-N 2.64Å; A507-R509 VanDerWaalsContact C-N 3.29Å; A507-R509 PolarHBondContact O-N 2.81Å; R509-V512 PolarHBondContact O-N 2.97Å; R509-W513 PolarHBondContact O-N 3.31Å; R509-F574 PolarHBondContact NH2-O 3.25Å; R509-F574 VanDerWaalsContact NH2-O 3.14Å; R509-F575 HydrophobicContact CB-CE1 3.69Å
510	A	85.6	Confident	88	Confident	6 Å²	6	53 Å²	53	5%	0.05	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-42.5	172	0	0	0	0	0	111.1	A507 Q508 V512 W513 L514 I548 F575	A507-A510 WeakPolarHBondContact O-CB 3.44Å; A507-A510 PolarHBondContact O-N 2.9Å; A507-A510 VanDerWaalsContact O-N 3.08Å; Q508-A510 VanDerWaalsContact C-N 3.3Å; A510-V512 VanDerWaalsContact C-N 3.29Å; A510-V512 PolarHBondContact O-N 3.5Å; A510-W513 WeakPolarHBondContact O-CB 3.29Å; A510-W513 PolarHBondContact O-N 2.98Å; A510-W513 VanDerWaalsContact O-N 3.14Å; A510-L514 WeakPolarHBondContact O-CD1 3.38Å; A510-L514 PolarHBondContact O-N 3.48Å; A510-I548 HydrophobicContact CB-CD1 3.55Å; A510-F575 HydrophobicContact CB-CZ 4.26Å
511	V	88.1	Confident	87.4	Confident	20 Å²	20	55 Å²	55	12%	0.121	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-41.3	173.4	178.6	0	0	0	0	111.5	A507 Q508 L514 S515 I526 F531	A507-V511 PolarHBondContact O-N 3.49Å; A507-V511 VanDerWaalsContact O-N 3.1Å; Q508-V511 PolarHBondContact O-N 3.16Å; V511-L514 PolarHBondContact O-N 3.48Å; V511-S515 PolarHBondContact O-N 3.43Å; V511-S515 PolarHBondContact O-OG 2.86Å; V511-I526 HydrophobicContact CG1-CB 4.09Å; V511-I526 HydrophobicContact CG1-CD1 4.36Å; V511-I526 HydrophobicContact CG2-CB 4.18Å; V511-I526 HydrophobicContact CG2-CG2 3.77Å; V511-F531 HydrophobicContact CG2-CE1 3.81Å; V511-F531 HydrophobicContact CG2-CZ 3.92Å
512	V	89.9	Confident	86.4	Confident	54 Å²	54	63.9 Å²	63.9	33%	0.327	34%	0.339	S	S	.	.	H	α-helix	trans	-62	-46	174.4	175.2	0	0	0	0	111.1	Q508 R509 A510 L514 S515 Q516 F574	Q508-V512 WeakPolarHBondContact O-CG2 3.23Å; Q508-V512 PolarHBondContact O-N 3.27Å; R509-V512 PolarHBondContact O-N 2.97Å; A510-V512 VanDerWaalsContact C-N 3.29Å; A510-V512 PolarHBondContact O-N 3.5Å; V512-L514 VanDerWaalsContact C-N 3.31Å; V512-L514 PolarHBondContact O-N 3.04Å; V512-S515 WeakPolarHBondContact CA-OG 3.29Å; V512-S515 PolarHBondContact O-N 2.93Å; V512-S515 PolarHBondContact O-OG 3.32Å; V512-Q516 HydrophobicContact CG1-CG 4.4Å; V512-Q516 WeakPolarHBondContact O-CG 3.44Å; V512-Q516 PolarHBondContact O-N 3.46Å; V512-F574 HydrophobicContact CG1-CZ 4.11Å
513	W	92.3	Very high	85.6	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-57.7	-43.4	175.4	174.8	89.9	0	0	0	112.1	F481 R509 A510 Q516 N517 F518 I546 I567 S570 M571 F574	F481-W513 HydrophobicContact CE2-CH2 4.19Å; F481-W513 AromaticContact CE2-CZ2 3.9Å; F481-W513 HydrophobicContact CE2-CZ2 3.9Å; R509-W513 PolarHBondContact O-N 3.31Å; A510-W513 WeakPolarHBondContact O-CB 3.29Å; A510-W513 PolarHBondContact O-N 2.98Å; A510-W513 VanDerWaalsContact O-N 3.14Å; W513-Q516 PolarHBondContact O-N 3.27Å; W513-N517 PolarHBondContact NE1-ND2 2.88Å; W513-N517 VanDerWaalsContact NE1-ND2 3.17Å; W513-N517 PolarHBondContact O-N 3.19Å; W513-N517 VanDerWaalsContact O-N 3.1Å; W513-N517 PolarHBondContact O-ND2 3.21Å; W513-F518 AromaticContact CH2-CE2 3.67Å; W513-F518 HydrophobicContact CH2-CE2 3.67Å; W513-F518 HydrophobicContact CH2-CZ 4.47Å; W513-F518 HydrophobicContact CZ3-CD2 4.41Å; W513-F518 AromaticContact CZ3-CE2 3.75Å; W513-F518 HydrophobicContact CZ3-CE2 3.75Å; W513-I546 HydrophobicContact CZ3-CD1 4.33Å; W513-I567 HydrophobicContact CH2-CG2 3.74Å; W513-I567 HydrophobicContact CZ2-CG2 4.21Å; W513-S570 WeakPolarHBondContact CZ2-OG 3.3Å; W513-S570 PolarHBondContact NE1-O 3Å; W513-M571 HydrophobicContact CD2-CE 4.25Å; W513-M571 HydrophobicContact CD2-CG 3.9Å; W513-M571 VanDerWaalsContact CE2-CG 3.49Å; W513-M571 HydrophobicContact CE3-CE 3.67Å; W513-M571 HydrophobicContact CE3-CG 4.28Å; W513-M571 HydrophobicContact CH2-CE 3.53Å; W513-M571 HydrophobicContact CH2-CG 4Å; W513-M571 HydrophobicContact CZ2-CE 4.09Å; W513-M571 HydrophobicContact CZ2-CG 3.55Å; W513-M571 HydrophobicContact CZ3-CE 3.28Å; W513-M571 HydrophobicContact CZ3-CG 4.34Å; W513-F574 HydrophobicContact CB-CD1 3.77Å; W513-F574 HydrophobicContact CB-CE1 3.73Å; W513-F574 HydrophobicContact CB-CG 4.28Å; W513-F574 HydrophobicContact CB-CZ 4.21Å; W513-F574 AromaticContact CD1-CD1 3.76Å; W513-F574 AromaticContact CD1-CG 3.52Å; W513-F574 HydrophobicContact CG-CD1 4.12Å; W513-F574 HydrophobicContact CG-CG 4.28Å
514	L	91.3	Very high	85.2	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.1	-47.5	175.9	-89.7	100.4	0	0	0	110.6	A510 V511 V512 Q516 N517 F518 F531 V533 F535	A510-L514 WeakPolarHBondContact O-CD1 3.38Å; A510-L514 PolarHBondContact O-N 3.48Å; V511-L514 PolarHBondContact O-N 3.48Å; V512-L514 VanDerWaalsContact C-N 3.31Å; V512-L514 PolarHBondContact O-N 3.04Å; L514-Q516 VanDerWaalsContact C-N 3.28Å; L514-Q516 PolarHBondContact O-N 2.99Å; L514-N517 PolarHBondContact O-N 3.2Å; L514-F518 WeakPolarHBondContact O-CB 3.24Å; L514-F518 PolarHBondContact O-N 3.42Å; L514-F531 HydrophobicContact CD1-CE2 4.27Å; L514-F531 HydrophobicContact CD1-CZ 4.27Å; L514-V533 HydrophobicContact CD2-CG1 4.46Å; L514-V533 HydrophobicContact CD2-CG2 3.7Å; L514-F535 HydrophobicContact CD2-CE2 4.36Å; L514-F535 HydrophobicContact CD2-CZ 4.27Å
515	S	89.3	Confident	84.9	Confident	66 Å²	66	70.5 Å²	70.5	46%	0.462	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-26	-179	69.3	0	0	0	0	114.7	V511 V512	V511-S515 PolarHBondContact O-N 3.43Å; V511-S515 PolarHBondContact O-OG 2.86Å; V512-S515 WeakPolarHBondContact CA-OG 3.29Å; V512-S515 PolarHBondContact O-N 2.93Å; V512-S515 PolarHBondContact O-OG 3.32Å
516	Q	91.1	Very high	84.7	Confident	110 Å²	110	68.7 Å²	68.7	51%	0.514	34%	0.343	S	S	.	.	H	α-helix	trans	-85.5	-32	179.1	-72.1	-179.3	-5.9	0	0	112.7	P479 V512 W513 L514	P479-Q516 WeakPolarHBondContact CB-O 3.35Å; V512-Q516 HydrophobicContact CG1-CG 4.4Å; V512-Q516 WeakPolarHBondContact O-CG 3.44Å; V512-Q516 PolarHBondContact O-N 3.46Å; W513-Q516 PolarHBondContact O-N 3.27Å; L514-Q516 VanDerWaalsContact C-N 3.28Å; L514-Q516 PolarHBondContact O-N 2.99Å
517	N	93.3	Very high	84.1	Confident	30 Å²	30	67 Å²	67	16%	0.16	34%	0.344	C	S	.	.	H	α-helix	trans	-102.9	-13.9	-172.9	-64.7	-66	0	0	0	114.3	F481 W513 L514	F481-N517 WeakPolarHBondContact CA-O 3.42Å; F481-N517 WeakPolarHBondContact CB-O 3.37Å; F481-N517 HydrophobicContact CD2-CB 3.88Å; F481-N517 HydrophobicContact CE2-CB 4.32Å; F481-N517 PolarHBondContact N-O 2.93Å; W513-N517 PolarHBondContact NE1-ND2 2.88Å; W513-N517 VanDerWaalsContact NE1-ND2 3.17Å; W513-N517 PolarHBondContact O-N 3.19Å; W513-N517 VanDerWaalsContact O-N 3.1Å; W513-N517 PolarHBondContact O-ND2 3.21Å; L514-N517 PolarHBondContact O-N 3.2Å
518	F	92.6	Very high	83.6	Confident	5 Å²	5	71.3 Å²	71.3	2%	0.022	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-119.7	153.9	176.6	-69.3	-97.8	0	0	0	111.8	F481 Y484 W513 L514 L520 F535 L544 I546	F481-F518 HydrophobicContact CB-CD1 3.7Å; F481-F518 HydrophobicContact CB-CD2 4.27Å; F481-F518 HydrophobicContact CB-CE1 3.41Å; F481-F518 VanDerWaalsContact CB-CE1 3.41Å; F481-F518 HydrophobicContact CB-CE2 4.01Å; F481-F518 HydrophobicContact CB-CG 4.12Å; F481-F518 HydrophobicContact CB-CZ 3.58Å; F481-F518 HydrophobicContact CD2-CD2 4.17Å; F481-F518 HydrophobicContact CD2-CE1 4.36Å; F481-F518 AromaticContact CD2-CE2 3.51Å; F481-F518 HydrophobicContact CD2-CE2 3.51Å; F481-F518 AromaticContact CD2-CZ 3.62Å; F481-F518 HydrophobicContact CD2-CZ 3.62Å; F481-F518 HydrophobicContact CE2-CE2 4.32Å; F481-F518 HydrophobicContact CE2-CZ 4.48Å; F481-F518 HydrophobicContact CG-CE1 4.04Å; F481-F518 HydrophobicContact CG-CE2 4.03Å; F481-F518 AromaticContact CG-CZ 3.69Å; F481-F518 HydrophobicContact CG-CZ 3.69Å; Y484-F518 HydrophobicContact CD2-CE1 4.28Å; Y484-F518 HydrophobicContact CG-CE1 4.18Å; W513-F518 AromaticContact CH2-CE2 3.67Å; W513-F518 HydrophobicContact CH2-CE2 3.67Å; W513-F518 HydrophobicContact CH2-CZ 4.47Å; W513-F518 HydrophobicContact CZ3-CD2 4.41Å; W513-F518 AromaticContact CZ3-CE2 3.75Å; W513-F518 HydrophobicContact CZ3-CE2 3.75Å; L514-F518 WeakPolarHBondContact O-CB 3.24Å; L514-F518 PolarHBondContact O-N 3.42Å; F518-L520 HydrophobicContact CB-CD2 4.46Å; F518-L520 HydrophobicContact CB-CG 4.43Å; F518-L520 PolarHBondContact O-N 3.43Å; F518-F535 HydrophobicContact CB-CE1 4.28Å; F518-F535 HydrophobicContact CB-CZ 4.39Å; F518-F535 AromaticContact CD1-CD1 4Å; F518-F535 HydrophobicContact CD1-CD1 4Å; F518-F535 HydrophobicContact CD1-CD2 4.48Å; F518-F535 AromaticContact CD1-CE1 3.73Å; F518-F535 HydrophobicContact CD1-CE1 3.73Å; F518-F535 HydrophobicContact CD1-CE2 4.22Å; F518-F535 HydrophobicContact CD1-CG 4.38Å; F518-F535 AromaticContact CD1-CZ 3.85Å; F518-F535 HydrophobicContact CD1-CZ 3.85Å; F518-F535 HydrophobicContact CE1-CD1 4.37Å; F518-F535 HydrophobicContact CE1-CD2 4.2Å; F518-F535 HydrophobicContact CE1-CE1 4.37Å; F518-F535 HydrophobicContact CE1-CE2 4.17Å; F518-F535 HydrophobicContact CE1-CG 4.3Å; F518-F535 HydrophobicContact CE1-CZ 4.27Å; F518-F535 HydrophobicContact CG-CE1 4.15Å; F518-F535 HydrophobicContact CG-CZ 4.03Å; F518-L544 HydrophobicContact CE1-CD2 4.12Å; F518-L544 HydrophobicContact CZ-CD2 4.11Å; F518-I546 HydrophobicContact CZ-CD1 4.49Å
519	L	90.2	Very high	83	Confident	31 Å²	31	67.6 Å²	67.6	16%	0.162	35%	0.349	C	S	.	.			trans	-85.3	87.5	171.6	-67.4	174.1	0	0	0	109.9	L387 V389 T400 P479	L387-L519 HydrophobicContact CB-CD2 4.1Å; V389-L519 HydrophobicContact CG2-CB 3.9Å; V389-L519 HydrophobicContact CG2-CD1 3.72Å; V389-L519 HydrophobicContact CG2-CG 4.46Å; T400-L519 HydrophobicContact CG2-CD1 3.57Å; P479-L519 HydrophobicContact CG-CD2 3.68Å; P479-L519 HydrophobicContact CG-CG 3.73Å
520	L	88.3	Confident	82.8	Confident	40 Å²	40	68.1 Å²	68.1	21%	0.209	36%	0.364	C	S	.	.			trans	-86.3	136.2	177.3	-62.1	174.9	0	0	0	111.2	L486 F518 F535	L486-L520 HydrophobicContact CD2-CD2 4.41Å; F518-L520 HydrophobicContact CB-CD2 4.46Å; F518-L520 HydrophobicContact CB-CG 4.43Å; F518-L520 PolarHBondContact O-N 3.43Å; L520-F535 HydrophobicContact CD2-CE1 3.98Å; L520-F535 HydrophobicContact CD2-CZ 4.05Å
521	P	83.8	Confident	82.9	Confident	67 Å²	67	69 Å²	69	44%	0.435	37%	0.367	S	S	.	.			trans	-60.2	148.2	169.8	-22.8	32.4	0	0	0	112.4	D523 T524	P521-D523 PolarHBondContact O-N 2.85Å; P521-D523 VanDerWaalsContact O-N 3.07Å; P521-T524 HydrophobicContact CB-CG2 4.29Å; P521-T524 HydrophobicContact CG-CG2 4.36Å; P521-T524 WeakPolarHBondContact O-CB 3.44Å; P521-T524 WeakPolarHBondContact O-CG2 3.28Å; P521-T524 PolarHBondContact O-N 3.11Å; P521-T524 VanDerWaalsContact O-N 3.09Å; P521-T524 PolarHBondContact O-OG1 3.08Å
522	E	72.4	Confident	83	Confident	193 Å²	193	71.7 Å²	71.7	90%	0.902	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.5	-178.9	-67.1	-168.1	168.8	0	0	113.4	T524	E522-T524 PolarHBondContact O-N 3.13Å
523	D	72.1	Confident	83.1	Confident	147 Å²	147	69.7 Å²	69.7	79%	0.786	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	0.4	-179.7	-59.1	-40	0	0	0	114.2	P521 H525	P521-D523 PolarHBondContact O-N 2.85Å; P521-D523 VanDerWaalsContact O-N 3.07Å; D523-H525 PolarHBondContact O-N 3.35Å
524	T	74.4	Confident	83.1	Confident	45 Å²	45	69.8 Å²	69.8	28%	0.276	37%	0.367	S	S	.	.			trans	-83.2	100.4	-174.2	53.5	0	0	0	0	112.9	L486 P521 E522	L486-T524 HydrophobicContact CD2-CG2 3.36Å; P521-T524 HydrophobicContact CB-CG2 4.29Å; P521-T524 HydrophobicContact CG-CG2 4.36Å; P521-T524 WeakPolarHBondContact O-CB 3.44Å; P521-T524 WeakPolarHBondContact O-CG2 3.28Å; P521-T524 PolarHBondContact O-N 3.11Å; P521-T524 VanDerWaalsContact O-N 3.09Å; P521-T524 PolarHBondContact O-OG1 3.08Å; E522-T524 PolarHBondContact O-N 3.13Å
525	H	73.3	Confident	83.1	Confident	176 Å²	176	69.8 Å²	69.8	82%	0.815	37%	0.367	S	S	*	.			trans	-101.4	94.8	171	-67.5	-59.2	0	0	0	111.3	D523	D523-H525 PolarHBondContact O-N 3.35Å
526	I	73.6	Confident	83.3	Confident	39 Å²	39	67.8 Å²	67.8	20%	0.2	35%	0.352	C	S	.	.			trans	-82.7	115.5	174.3	-55	173	0	0	0	108.7	V511 F531 V533	V511-I526 HydrophobicContact CG1-CB 4.09Å; V511-I526 HydrophobicContact CG1-CD1 4.36Å; V511-I526 HydrophobicContact CG2-CB 4.18Å; V511-I526 HydrophobicContact CG2-CG2 3.77Å; I526-F531 HydrophobicContact CG2-CB 3.98Å; I526-F531 HydrophobicContact CG2-CD1 3.9Å; I526-F531 HydrophobicContact CG2-CD2 3.74Å; I526-F531 HydrophobicContact CG2-CE1 4.25Å; I526-F531 HydrophobicContact CG2-CE2 4.11Å; I526-F531 HydrophobicContact CG2-CG 3.61Å; I526-F531 HydrophobicContact CG2-CZ 4.33Å; I526-V533 HydrophobicContact CD1-CG1 4.17Å
527	Q	68.8	Low	83.3	Confident	165 Å²	165	62.9 Å²	62.9	77%	0.771	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-73.2	168.7	174.7	-66.9	-175.9	0.9	0	0	111.6
528	N	72.5	Confident	83.1	Confident	118 Å²	118	62.4 Å²	62.4	63%	0.631	33%	0.327	S	S	*	.	S	Bend	trans	-56.7	155.3	173.5	-69.9	-22.1	0	0	0	111.6	Q508	Q508-N528 PolarHBondContact OE1-OD1 3.43Å
529	A	72.9	Confident	82.9	Confident	20 Å²	20	66.2 Å²	66.2	17%	0.165	34%	0.341	C	S	.	.	S	Bend	trans	-50.4	146	-178.1	0	0	0	0	0	113.4	A507 I548 L550	A507-A529 HydrophobicContact CB-CB 3.67Å; A529-I548 HydrophobicContact CB-CG2 4.36Å; A529-L550 VanDerWaalsContact O-CD1 3.26Å; A529-L550 WeakPolarHBondContact O-CD1 3.42Å
530	P	84.3	Confident	82.8	Confident	99 Å²	99	69.9 Å²	69.9	64%	0.643	36%	0.361	S	S	*	.	S	Bend	cis	-81.5	143	4.3	33.1	-34.8	0	0	0	113.2	I548	P530-I548 WeakPolarHBondContact CA-O 3.16Å; P530-I548 WeakPolarHBondContact CB-O 3.22Å
531	F	87.3	Confident	82.6	Confident	23 Å²	23	70 Å²	70	10%	0.101	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.8	171.9	70.3	-97.1	0	0	0	111.6	V511 L514 I526 V533 I548	V511-F531 HydrophobicContact CG2-CE1 3.81Å; V511-F531 HydrophobicContact CG2-CZ 3.92Å; L514-F531 HydrophobicContact CD1-CE2 4.27Å; L514-F531 HydrophobicContact CD1-CZ 4.27Å; I526-F531 HydrophobicContact CG2-CB 3.98Å; I526-F531 HydrophobicContact CG2-CD1 3.9Å; I526-F531 HydrophobicContact CG2-CD2 3.74Å; I526-F531 HydrophobicContact CG2-CE1 4.25Å; I526-F531 HydrophobicContact CG2-CE2 4.11Å; I526-F531 HydrophobicContact CG2-CG 3.61Å; I526-F531 HydrophobicContact CG2-CZ 4.33Å; F531-V533 HydrophobicContact CD2-CG1 4.35Å; F531-I548 HydrophobicContact CD1-CB 4.29Å; F531-I548 HydrophobicContact CE1-CB 4.03Å; F531-I548 HydrophobicContact CE1-CD1 3.76Å; F531-I548 HydrophobicContact CE1-CG1 4.12Å; F531-I548 HydrophobicContact CE1-CG2 4.44Å; F531-I548 HydrophobicContact CE2-CD1 4Å; F531-I548 HydrophobicContact CE2-CG1 4.06Å; F531-I548 HydrophobicContact CZ-CB 4.2Å; F531-I548 HydrophobicContact CZ-CD1 3.3Å; F531-I548 HydrophobicContact CZ-CG1 3.77Å; F531-I548 PolarHBondContact N-O 3.49Å; F531-I548 PolarHBondContact O-N 3.34Å
532	Q	90.1	Very high	82.8	Confident	77 Å²	77	68.3 Å²	68.3	36%	0.36	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.3	177.2	177.3	177.4	-15	0	0	108.6	L489 Y545 I546 K547	L489-Q532 HydrophobicContact CD2-CB 4.5Å; L489-Q532 HydrophobicContact CD2-CG 3.65Å; Q532-Y545 HydrophobicContact CG-CD1 4.42Å; Q532-Y545 VanDerWaalsContact NE2-CD1 3.31Å; Q532-I546 WeakPolarHBondContact CA-O 3.44Å; Q532-K547 HydrophobicContact CB-CG 4.21Å; Q532-K547 HydrophobicContact CG-CG 3.71Å; Q532-K547 VanDerWaalsContact NE2-CE 3.34Å
533	V	90.9	Very high	83.7	Confident	13 Å²	13	61.8 Å²	61.8	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.8	172.8	-65.6	0	0	0	0	109.8	L486 L514 I526 F531 F535 Y545 I546	L486-V533 HydrophobicContact CD1-CB 4.08Å; L486-V533 HydrophobicContact CD1-CG1 4.37Å; L514-V533 HydrophobicContact CD2-CG1 4.46Å; L514-V533 HydrophobicContact CD2-CG2 3.7Å; I526-V533 HydrophobicContact CD1-CG1 4.17Å; F531-V533 HydrophobicContact CD2-CG1 4.35Å; V533-F535 HydrophobicContact CB-CE2 4.1Å; V533-F535 HydrophobicContact CB-CZ 4.49Å; V533-F535 HydrophobicContact CG2-CD2 4.35Å; V533-F535 HydrophobicContact CG2-CE2 3.56Å; V533-F535 HydrophobicContact CG2-CZ 4.23Å; V533-Y545 WeakPolarHBondContact O-CA 3.24Å; V533-I546 HydrophobicContact CG2-CB 3.83Å; V533-I546 PolarHBondContact N-O 3.48Å; V533-I546 PolarHBondContact O-N 3.35Å
534	C	92.3	Very high	84.8	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.007	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.8	175	-179.9	0	0	0	0	109.1	L486 T487 L489 L544 Y545	L486-C534 WeakPolarHBondContact CD1-O 3.5Å; T487-C534 PolarHBondContact N-O 3.42Å; L489-C534 HydrophobicContact CD2-CB 3.86Å; C534-L544 CarbonylContact C-O 3.57Å; C534-L544 WeakPolarHBondContact CA-O 3.48Å; C534-Y545 HydrophobicContact CB-CD1 3.83Å; C534-Y545 HydrophobicContact CB-CE1 3.56Å
535	F	92.7	Very high	85.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.5	170.6	-57.9	-89.7	0	0	0	110.6	A485 L486 L514 F518 L520 V533 H543 L544 I546	A485-F535 CarbonylContact O-C 3.52Å; A485-F535 WeakPolarHBondContact O-CA 3.46Å; L486-F535 HydrophobicContact CB-CD1 4.11Å; L486-F535 HydrophobicContact CB-CE1 3.96Å; L486-F535 HydrophobicContact CD1-CD1 4.13Å; L486-F535 HydrophobicContact CD1-CE1 3.69Å; L486-F535 HydrophobicContact CD1-CE2 4.5Å; L486-F535 HydrophobicContact CD1-CZ 3.89Å; L486-F535 HydrophobicContact CG-CE1 4.45Å; L514-F535 HydrophobicContact CD2-CE2 4.36Å; L514-F535 HydrophobicContact CD2-CZ 4.27Å; F518-F535 HydrophobicContact CB-CE1 4.28Å; F518-F535 HydrophobicContact CB-CZ 4.39Å; F518-F535 AromaticContact CD1-CD1 4Å; F518-F535 HydrophobicContact CD1-CD1 4Å; F518-F535 HydrophobicContact CD1-CD2 4.48Å; F518-F535 AromaticContact CD1-CE1 3.73Å; F518-F535 HydrophobicContact CD1-CE1 3.73Å; F518-F535 HydrophobicContact CD1-CE2 4.22Å; F518-F535 HydrophobicContact CD1-CG 4.38Å; F518-F535 AromaticContact CD1-CZ 3.85Å; F518-F535 HydrophobicContact CD1-CZ 3.85Å; F518-F535 HydrophobicContact CE1-CD1 4.37Å; F518-F535 HydrophobicContact CE1-CD2 4.2Å; F518-F535 HydrophobicContact CE1-CE1 4.37Å; F518-F535 HydrophobicContact CE1-CE2 4.17Å; F518-F535 HydrophobicContact CE1-CG 4.3Å; F518-F535 HydrophobicContact CE1-CZ 4.27Å; F518-F535 HydrophobicContact CG-CE1 4.15Å; F518-F535 HydrophobicContact CG-CZ 4.03Å; L520-F535 HydrophobicContact CD2-CE1 3.98Å; L520-F535 HydrophobicContact CD2-CZ 4.05Å; V533-F535 HydrophobicContact CB-CE2 4.1Å; V533-F535 HydrophobicContact CB-CZ 4.49Å; V533-F535 HydrophobicContact CG2-CD2 4.35Å; V533-F535 HydrophobicContact CG2-CE2 3.56Å; V533-F535 HydrophobicContact CG2-CZ 4.23Å; F535-H543 WeakPolarHBondContact O-CA 3.44Å; F535-L544 HydrophobicContact CB-CB 4.27Å; F535-L544 HydrophobicContact CB-CD2 4.42Å; F535-L544 HydrophobicContact CD2-CD2 4.08Å; F535-L544 HydrophobicContact CD2-CG 4.41Å; F535-L544 PolarHBondContact N-O 3.42Å; F535-L544 PolarHBondContact O-N 2.99Å; F535-I546 HydrophobicContact CE2-CD1 4.39Å
536	T	91.9	Very high	86.7	Confident	25 Å²	25	44.4 Å²	44.4	15%	0.153	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.2	170	-55.1	0	0	0	0	109.1	A485 T487 L538	A485-T536 PolarHBondContact N-O 2.85Å; A485-T536 PolarHBondContact O-N 3.23Å; T487-T536 WeakPolarHBondContact CG2-OG1 3.37Å; T487-T536 PolarHBondContact OG1-OG1 2.91Å; T536-L538 PolarHBondContact O-N 3.39Å
537	S	91.8	Very high	87.5	Confident	7 Å²	7	44.6 Å²	44.6	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.3	174.9	171.8	0	0	0	0	110.5	R539 N540 G541 G542	S537-R539 PolarHBondContact O-N 3.14Å; S537-R539 PolarHBondContact OG-N 2.92Å; S537-N540 WeakPolarHBondContact CB-OD1 3.34Å; S537-N540 PolarHBondContact OG-OD1 2.7Å; S537-G541 VanDerWaalsContact O-CA 3.22Å; S537-G541 WeakPolarHBondContact O-CA 3.35Å; S537-G541 PolarHBondContact O-N 2.8Å; S537-G542 WeakPolarHBondContact CB-O 3.16Å; S537-G542 PolarHBondContact N-O 3.24Å
538	L	89.3	Confident	88.6	Confident	19 Å²	19	37.2 Å²	37.2	10%	0.099	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-14	177.3	-55	168.9	0	0	0	112.5	V389 L391 A398 M483 A485 T536	V389-L538 HydrophobicContact CG1-CD1 3.37Å; V389-L538 HydrophobicContact CG1-CD2 3.8Å; V389-L538 HydrophobicContact CG1-CG 4.1Å; L391-L538 HydrophobicContact CD2-CD2 3.91Å; A398-L538 HydrophobicContact CB-CB 3.91Å; A398-L538 HydrophobicContact CB-CD2 3.73Å; A398-L538 HydrophobicContact CB-CG 4.36Å; M483-L538 HydrophobicContact CB-CD1 4.47Å; M483-L538 HydrophobicContact CE-CB 3.79Å; M483-L538 HydrophobicContact CE-CD1 4.27Å; M483-L538 VanDerWaalsContact O-CG 3.24Å; M483-L538 WeakPolarHBondContact O-CG 3.31Å; M483-L538 PolarHBondContact O-N 2.8Å; M483-L538 HydrophobicContact SD-CB 4.47Å; M483-L538 HydrophobicContact SD-CD1 3.94Å; A485-L538 HydrophobicContact CB-CD2 4.12Å; T536-L538 PolarHBondContact O-N 3.39Å
539	R	88.9	Confident	89.4	Confident	86 Å²	86	35.8 Å²	35.8	33%	0.325	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-45.4	-176.4	-59.6	-174.1	-173.2	103.8	-2.8	112.7	P447 K449 D450 M483 Y484 S537	P447-R539 PolarHBondContact O-NE 3.14Å; P447-R539 PolarHBondContact O-NH2 3.35Å; P447-R539 VanDerWaalsContact O-NH2 3.08Å; K449-R539 PolarHBondContact O-NH2 3.37Å; D450-R539 VanDerWaalsContact CG-NH1 3.28Å; D450-R539 IonicContact OD1-CZ 2.79Å; D450-R539 IonicContact OD1-NH1 3.46Å; D450-R539 PolarHBondContact OD1-NH1 3.49Å; D450-R539 IonicContact OD1-NH2 3.28Å; D450-R539 PolarHBondContact OD1-NH2 3.49Å; D450-R539 IonicContact OD2-CZ 3.68Å; D450-R539 IonicContact OD2-NH1 3.99Å; D450-R539 PolarHBondContact OD2-NH1 2.95Å; M483-R539 HydrophobicContact CB-CG 4.36Å; M483-R539 HydrophobicContact CE-CG 3.95Å; Y484-R539 PolarHBondContact OH-NH1 2.64Å; S537-R539 PolarHBondContact O-N 3.14Å; S537-R539 PolarHBondContact OG-N 2.92Å
540	N	86.6	Confident	89.9	Confident	107 Å²	107	41.6 Å²	41.6	57%	0.572	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.6	-4.4	-172.7	60.8	4.3	0	0	0	113.6	S537 G542	S537-N540 WeakPolarHBondContact CB-OD1 3.34Å; S537-N540 PolarHBondContact OG-OD1 2.7Å; N540-G542 PolarHBondContact O-N 2.81Å; N540-G542 PolarHBondContact OD1-N 2.85Å
541	G	85.4	Confident	89.8	Confident	43 Å²	43	42.3 Å²	42.3	44%	0.443	23%	0.231	S	C	.	.			trans	75.1	5.8	-176.1	0	0	0	0	0	114.6	S537	S537-G541 VanDerWaalsContact O-CA 3.22Å; S537-G541 WeakPolarHBondContact O-CA 3.35Å; S537-G541 PolarHBondContact O-N 2.8Å
542	G	88.3	Confident	89.5	Confident	31 Å²	31	42 Å²	42	32%	0.32	23%	0.234	S	C	.	.			trans	-67.7	156.2	177.4	0	0	0	0	0	112.7	S537 N540	S537-G542 WeakPolarHBondContact CB-O 3.16Å; S537-G542 PolarHBondContact N-O 3.24Å; N540-G542 PolarHBondContact O-N 2.81Å; N540-G542 PolarHBondContact OD1-N 2.85Å
543	H	91.3	Very high	89.6	Confident	56 Å²	56	40.6 Å²	40.6	26%	0.259	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	146.3	179.2	-62.7	-73.4	0	0	0	112	S493 P495 F535 Y545 T558	S493-H543 PolarHBondContact O-CD2 2.82Å; P495-H543 HydrophobicContact CG-CB 4.12Å; F535-H543 WeakPolarHBondContact O-CA 3.44Å; H543-Y545 HydrophobicContact CB-CD2 4.32Å; H543-Y545 HydrophobicContact CB-CE2 3.87Å; H543-T558 PolarHBondContact O-OG1 2.88Å
544	L	94.1	Very high	89.6	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	117.2	173.5	168.5	67.4	0	0	0	108.3	Y484 F518 C534 F535 I546 I556 T558 L563 I567	Y484-L544 HydrophobicContact CD1-CD2 4.47Å; F518-L544 HydrophobicContact CE1-CD2 4.12Å; F518-L544 HydrophobicContact CZ-CD2 4.11Å; C534-L544 CarbonylContact C-O 3.57Å; C534-L544 WeakPolarHBondContact CA-O 3.48Å; F535-L544 HydrophobicContact CB-CB 4.27Å; F535-L544 HydrophobicContact CB-CD2 4.42Å; F535-L544 HydrophobicContact CD2-CD2 4.08Å; F535-L544 HydrophobicContact CD2-CG 4.41Å; F535-L544 PolarHBondContact N-O 3.42Å; F535-L544 PolarHBondContact O-N 2.99Å; L544-I546 HydrophobicContact CD1-CG1 4.3Å; L544-I546 HydrophobicContact CD2-CD1 4.39Å; L544-I546 HydrophobicContact CG-CG1 4.3Å; L544-I556 HydrophobicContact CD1-CG2 3.75Å; L544-T558 HydrophobicContact CD1-CG2 4.32Å; L544-L563 HydrophobicContact CB-CD2 4.32Å; L544-L563 HydrophobicContact CD1-CD2 4.29Å; L544-L563 HydrophobicContact CD2-CD2 4.3Å; L544-I567 HydrophobicContact CD1-CD1 3.57Å; L544-I567 HydrophobicContact CD2-CD1 3.62Å; L544-I567 HydrophobicContact CG-CD1 4.24Å
545	Y	94	Very high	89.7	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.4	171.4	-69.1	-98	0	0	0	110.2	L489 D490 E494 P495 Q532 V533 C534 H543 I556 N557	L489-Y545 HydrophobicContact CD2-CD1 4.16Å; L489-Y545 HydrophobicContact CD2-CE1 3.88Å; D490-Y545 PolarHBondContact N-OH 2.89Å; D490-Y545 PolarHBondContact O-OH 2.83Å; E494-Y545 HydrophobicContact CB-CE2 4.27Å; E494-Y545 HydrophobicContact CG-CD2 4.09Å; E494-Y545 HydrophobicContact CG-CE2 4.18Å; E494-Y545 HydrophobicContact CG-CG 4.45Å; P495-Y545 HydrophobicContact CG-CD2 4.44Å; Q532-Y545 HydrophobicContact CG-CD1 4.42Å; Q532-Y545 VanDerWaalsContact NE2-CD1 3.31Å; V533-Y545 WeakPolarHBondContact O-CA 3.24Å; C534-Y545 HydrophobicContact CB-CD1 3.83Å; C534-Y545 HydrophobicContact CB-CE1 3.56Å; H543-Y545 HydrophobicContact CB-CD2 4.32Å; H543-Y545 HydrophobicContact CB-CE2 3.87Å; Y545-I556 CarbonylContact O-C 3.6Å; Y545-I556 WeakPolarHBondContact O-CA 3.28Å; Y545-N557 PolarHBondContact N-O 2.74Å; Y545-N557 PolarHBondContact O-N 2.82Å
546	I	93.3	Very high	89.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.7	171.3	-57.1	176.3	0	0	0	107.2	W513 F518 Q532 V533 F535 L544 I548 I554 M571	W513-I546 HydrophobicContact CZ3-CD1 4.33Å; F518-I546 HydrophobicContact CZ-CD1 4.49Å; Q532-I546 WeakPolarHBondContact CA-O 3.44Å; V533-I546 HydrophobicContact CG2-CB 3.83Å; V533-I546 PolarHBondContact N-O 3.48Å; V533-I546 PolarHBondContact O-N 3.35Å; F535-I546 HydrophobicContact CE2-CD1 4.39Å; L544-I546 HydrophobicContact CD1-CG1 4.3Å; L544-I546 HydrophobicContact CD2-CD1 4.39Å; L544-I546 HydrophobicContact CG-CG1 4.3Å; I546-I548 HydrophobicContact CG2-CG1 4.44Å; I546-I554 HydrophobicContact CG2-CG2 4.42Å; I546-M571 HydrophobicContact CG2-CE 4.49Å
547	K	91.8	Very high	90	Very high	43 Å²	43	40.1 Å²	40.1	19%	0.187	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.8	-179.2	-65.7	169.9	179.6	-178.6	0	108.9	E494 Q532 I554 T555	E494-K547 IonicContact OE1-NZ 3.86Å; E494-K547 PolarHBondContact OE1-NZ 3.41Å; E494-K547 IonicContact OE2-NZ 3.63Å; E494-K547 PolarHBondContact OE2-NZ 2.86Å; Q532-K547 HydrophobicContact CB-CG 4.21Å; Q532-K547 HydrophobicContact CG-CG 3.71Å; Q532-K547 VanDerWaalsContact NE2-CE 3.34Å; K547-I554 WeakPolarHBondContact O-CA 3.39Å; K547-T555 PolarHBondContact N-O 3.19Å; K547-T555 PolarHBondContact O-N 3.24Å
548	I	90.3	Very high	90.2	Very high	10 Å²	10	40 Å²	40	5%	0.051	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.4	175.3	-54.9	-160.9	0	0	0	109.1	A510 A529 P530 F531 I546 I554	A510-I548 HydrophobicContact CB-CD1 3.55Å; A529-I548 HydrophobicContact CB-CG2 4.36Å; P530-I548 WeakPolarHBondContact CA-O 3.16Å; P530-I548 WeakPolarHBondContact CB-O 3.22Å; F531-I548 HydrophobicContact CD1-CB 4.29Å; F531-I548 HydrophobicContact CE1-CB 4.03Å; F531-I548 HydrophobicContact CE1-CD1 3.76Å; F531-I548 HydrophobicContact CE1-CG1 4.12Å; F531-I548 HydrophobicContact CE1-CG2 4.44Å; F531-I548 HydrophobicContact CE2-CD1 4Å; F531-I548 HydrophobicContact CE2-CG1 4.06Å; F531-I548 HydrophobicContact CZ-CB 4.2Å; F531-I548 HydrophobicContact CZ-CD1 3.3Å; F531-I548 HydrophobicContact CZ-CG1 3.77Å; F531-I548 PolarHBondContact N-O 3.49Å; F531-I548 PolarHBondContact O-N 3.34Å; I546-I548 HydrophobicContact CG2-CG1 4.44Å; I548-I554 HydrophobicContact CD1-CD1 4.22Å; I548-I554 HydrophobicContact CD1-CG1 4.32Å; I548-I554 HydrophobicContact CG1-CG1 4.24Å
549	K	89.3	Confident	90.3	Very high	89 Å²	89	43.6 Å²	43.6	39%	0.387	24%	0.243	S	C	.	.			trans	-87.7	161.9	177.1	-58.3	-175.5	-161.5	163.3	0	111.2	T551 G552 E553	K549-T551 PolarHBondContact O-N 2.81Å; K549-G552 PolarHBondContact O-N 2.82Å; K549-G552 VanDerWaalsContact O-N 3.16Å; K549-E553 HydrophobicContact CB-CB 4.35Å; K549-E553 HydrophobicContact CD-CB 4.23Å; K549-E553 WeakPolarHBondContact CD-OE2 2.95Å; K549-E553 PolarHBondContact N-O 2.79Å; K549-E553 IonicContact NZ-OE1 4Å; K549-E553 PolarHBondContact NZ-OE1 3.34Å; K549-E553 IonicContact NZ-OE2 2.82Å; K549-E553 PolarHBondContact NZ-OE2 2.84Å
550	L	83.6	Confident	90.5	Very high	142 Å²	142	42 Å²	42	74%	0.743	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.7	176.5	-160.2	78	0	0	0	112.8	A529 G552	A529-L550 VanDerWaalsContact O-CD1 3.26Å; A529-L550 WeakPolarHBondContact O-CD1 3.42Å; L550-G552 PolarHBondContact O-N 3.18Å
551	T	82.2	Confident	90.8	Very high	114 Å²	114	37.4 Å²	37.4	70%	0.699	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.6	178.3	50.6	0	0	0	0	113.8	K549 E553	K549-T551 PolarHBondContact O-N 2.81Å; T551-E553 VanDerWaalsContact C-N 3.32Å
552	G	82.3	Confident	91.1	Very high	17 Å²	17	37.8 Å²	37.8	18%	0.175	21%	0.208	C	C	.	.	S	Bend	trans	83.2	7.4	-171.9	0	0	0	0	0	113.9	I503 K549 L550	I503-G552 PolarHBondContact N-O 2.7Å; K549-G552 PolarHBondContact O-N 2.82Å; K549-G552 VanDerWaalsContact O-N 3.16Å; L550-G552 PolarHBondContact O-N 3.18Å
553	E	90.6	Very high	91.3	Very high	46 Å²	46	36.7 Å²	36.7	22%	0.215	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.7	171.7	-167.2	-169.7	157.4	0	0	110.1	T502 K549 T551	T502-E553 HydrophobicContact CG2-CB 4.17Å; T502-E553 HydrophobicContact CG2-CG 4.11Å; K549-E553 HydrophobicContact CB-CB 4.35Å; K549-E553 HydrophobicContact CD-CB 4.23Å; K549-E553 WeakPolarHBondContact CD-OE2 2.95Å; K549-E553 PolarHBondContact N-O 2.79Å; K549-E553 IonicContact NZ-OE1 4Å; K549-E553 PolarHBondContact NZ-OE1 3.34Å; K549-E553 IonicContact NZ-OE2 2.82Å; K549-E553 PolarHBondContact NZ-OE2 2.84Å; T551-E553 VanDerWaalsContact C-N 3.32Å
554	I	92.7	Very high	91.5	Very high	6 Å²	6	34 Å²	34	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.3	176.3	-56.6	-177	0	0	0	107.9	N500 F501 I503 I546 K547 I548 I556 M571	N500-I554 WeakPolarHBondContact CA-O 3.35Å; F501-I554 HydrophobicContact CE1-CB 4.19Å; F501-I554 HydrophobicContact CE1-CG2 4.11Å; F501-I554 HydrophobicContact CE2-CB 4.28Å; F501-I554 HydrophobicContact CE2-CD1 4.23Å; F501-I554 HydrophobicContact CZ-CB 4.01Å; F501-I554 HydrophobicContact CZ-CD1 4.35Å; F501-I554 HydrophobicContact CZ-CG2 3.96Å; F501-I554 PolarHBondContact N-O 3.08Å; F501-I554 VanDerWaalsContact N-O 3.11Å; F501-I554 PolarHBondContact O-N 3.19Å; I503-I554 HydrophobicContact CD1-CD1 3.46Å; I503-I554 VanDerWaalsContact CD1-CD1 3.46Å; I503-I554 HydrophobicContact CG1-CD1 3.87Å; I546-I554 HydrophobicContact CG2-CG2 4.42Å; K547-I554 WeakPolarHBondContact O-CA 3.39Å; I548-I554 HydrophobicContact CD1-CD1 4.22Å; I548-I554 HydrophobicContact CD1-CG1 4.32Å; I548-I554 HydrophobicContact CG1-CG1 4.24Å; I554-I556 HydrophobicContact CG2-CG1 4.26Å; I554-M571 HydrophobicContact CD1-SD 4.18Å
555	T	94.3	Very high	91.4	Very high	14 Å²	14	34 Å²	34	9%	0.086	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.9	173	-61.5	0	0	0	0	108.5	V499 N500 K547 N557	V499-T555 WeakPolarHBondContact O-CA 3.39Å; N500-T555 VanDerWaalsContact OD1-CB 3.22Å; N500-T555 WeakPolarHBondContact OD1-CB 3.3Å; N500-T555 WeakPolarHBondContact OD1-CG2 3.23Å; N500-T555 PolarHBondContact OD1-OG1 3.2Å; K547-T555 PolarHBondContact N-O 3.19Å; K547-T555 PolarHBondContact O-N 3.24Å; T555-N557 WeakPolarHBondContact CG2-OD1 3.35Å
556	I	95.7	Very high	91.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.5	173.2	-57	173.3	0	0	0	107.2	Y498 V499 F501 L544 Y545 I554 T558 I567 I568	Y498-I556 CarbonylContact C-O 3.55Å; Y498-I556 VanDerWaalsContact CA-O 3.28Å; Y498-I556 WeakPolarHBondContact CA-O 3.47Å; V499-I556 PolarHBondContact N-O 2.89Å; V499-I556 PolarHBondContact O-N 2.89Å; F501-I556 HydrophobicContact CE1-CD1 3.7Å; F501-I556 HydrophobicContact CE1-CG1 4.16Å; F501-I556 HydrophobicContact CZ-CD1 4.18Å; L544-I556 HydrophobicContact CD1-CG2 3.75Å; Y545-I556 CarbonylContact O-C 3.6Å; Y545-I556 WeakPolarHBondContact O-CA 3.28Å; I554-I556 HydrophobicContact CG2-CG1 4.26Å; I556-T558 HydrophobicContact CG2-CG2 4.08Å; I556-I567 HydrophobicContact CD1-CB 4.15Å; I556-I567 HydrophobicContact CD1-CG2 3.49Å; I556-I567 VanDerWaalsContact CD1-CG2 3.49Å; I556-I567 HydrophobicContact CG1-CG2 4.49Å; I556-I567 HydrophobicContact CG2-CD1 4.48Å; I556-I568 HydrophobicContact CD1-CD1 4.44Å; I556-I568 HydrophobicContact CD1-CG1 3.86Å
557	N	95.4	Very high	91.4	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.053	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.3	170.6	-53.5	88.3	0	0	0	109.5	P495 S497 Y498 Y545 T555	P495-N557 HydrophobicContact CB-CB 4.43Å; S497-N557 WeakPolarHBondContact O-CA 3.13Å; Y498-N557 WeakPolarHBondContact CB-ND2 3.35Å; Y545-N557 PolarHBondContact N-O 2.74Å; Y545-N557 PolarHBondContact O-N 2.82Å; T555-N557 WeakPolarHBondContact CG2-OD1 3.35Å
558	T	94.4	Very high	91.5	Very high	5 Å²	5	33 Å²	33	3%	0.031	18%	0.179	C	C	.	.			trans	-157.5	142.6	173.7	-174.7	0	0	0	0	108.7	S497 H543 L544 I556 D560 A564 F586	S497-T558 WeakPolarHBondContact CB-O 3.3Å; S497-T558 PolarHBondContact O-N 2.6Å; H543-T558 PolarHBondContact O-OG1 2.88Å; L544-T558 HydrophobicContact CD1-CG2 4.32Å; I556-T558 HydrophobicContact CG2-CG2 4.08Å; T558-D560 VanDerWaalsContact CG2-O 3.31Å; T558-D560 WeakPolarHBondContact CG2-O 3.08Å; T558-D560 PolarHBondContact OG1-N 2.96Å; T558-A564 HydrophobicContact CG2-CB 3.82Å; T558-F586 WeakPolarHBondContact O-CE1 3.48Å
559	D	92.1	Very high	91.5	Very high	94 Å²	94	34.6 Å²	34.6	50%	0.503	19%	0.186	S	C	.	.	S	Bend	trans	-78.5	-10.7	175.4	-65.8	-43.1	0	0	0	112.8	S497	S497-D559 WeakPolarHBondContact CB-OD1 3.37Å; S497-D559 PolarHBondContact OG-OD1 3.34Å
560	D	92.6	Very high	91.7	Very high	53 Å²	53	30.7 Å²	30.7	28%	0.283	17%	0.17	S	C	.	.			trans	-94.8	110.3	179.2	-168.7	-23.4	0	0	0	111.2	T558 D562 L563 A564	T558-D560 VanDerWaalsContact CG2-O 3.31Å; T558-D560 WeakPolarHBondContact CG2-O 3.08Å; T558-D560 PolarHBondContact OG1-N 2.96Å; D560-D562 VanDerWaalsContact C-N 3.34Å; D560-D562 PolarHBondContact O-N 2.83Å; D560-D562 WeakPolarHBondContact OD1-CB 2.99Å; D560-D562 PolarHBondContact OD1-N 2.65Å; D560-L563 HydrophobicContact CB-CB 3.94Å; D560-L563 PolarHBondContact OD1-N 3.21Å; D560-A564 PolarHBondContact O-N 2.79Å
561	I	92.9	Very high	92.1	Very high	10 Å²	10	24 Å²	24	5%	0.051	14%	0.135	C	C	.	.	H	α-helix	trans	-66.7	-32.3	179.5	-170.5	168.8	0	0	0	113	G565 F586 Y589 R681 L685	I561-G565 PolarHBondContact O-N 2.83Å; I561-F586 HydrophobicContact CB-CD1 4.32Å; I561-F586 HydrophobicContact CB-CE1 4.11Å; I561-F586 HydrophobicContact CB-CE2 4.36Å; I561-F586 HydrophobicContact CB-CZ 4.13Å; I561-F586 HydrophobicContact CD1-CD2 4.09Å; I561-F586 HydrophobicContact CD1-CE2 4.16Å; I561-F586 HydrophobicContact CG1-CD2 4.23Å; I561-F586 HydrophobicContact CG1-CE1 4.5Å; I561-F586 HydrophobicContact CG1-CE2 3.88Å; I561-F586 HydrophobicContact CG1-CZ 4.03Å; I561-Y589 HydrophobicContact CD1-CD1 4.01Å; I561-Y589 HydrophobicContact CD1-CE1 3.81Å; I561-Y589 HydrophobicContact CG2-CE1 4.33Å; I561-R681 HydrophobicContact CD1-CB 3.94Å; I561-R681 HydrophobicContact CG1-CB 4.25Å; I561-R681 HydrophobicContact CG2-CB 4.43Å; I561-R681 HydrophobicContact CG2-CG 4.35Å; I561-L685 HydrophobicContact CD1-CD1 3.94Å; I561-L685 HydrophobicContact CG1-CD1 3.91Å; I561-L685 HydrophobicContact CG1-CD2 4.44Å; I561-L685 HydrophobicContact CG1-CG 4.29Å
562	D	91.4	Very high	92.5	Very high	51 Å²	51	18.7 Å²	18.7	27%	0.273	10%	0.103	S	C	.	.	H	α-helix	trans	-69.7	-45	-179.7	-69.6	-49.2	0	0	0	109.6	D560 A564 G565 D566 R681	D560-D562 VanDerWaalsContact C-N 3.34Å; D560-D562 PolarHBondContact O-N 2.83Å; D560-D562 WeakPolarHBondContact OD1-CB 2.99Å; D560-D562 PolarHBondContact OD1-N 2.65Å; D562-A564 PolarHBondContact O-N 2.93Å; D562-G565 WeakPolarHBondContact O-CA 3.19Å; D562-G565 PolarHBondContact O-N 2.7Å; D562-G565 VanDerWaalsContact O-N 3.12Å; D562-D566 PolarHBondContact O-N 2.76Å; D562-R681 VanDerWaalsContact CG-NE 3.31Å; D562-R681 WeakPolarHBondContact OD1-CD 3.26Å; D562-R681 VanDerWaalsContact OD1-CG 3.29Å; D562-R681 WeakPolarHBondContact OD1-CG 3.43Å; D562-R681 IonicContact OD1-CZ 2.71Å; D562-R681 IonicContact OD1-NE 3.35Å; D562-R681 PolarHBondContact OD1-NE 3.06Å; D562-R681 IonicContact OD1-NH2 3.9Å; D562-R681 IonicContact OD2-CZ 3Å; D562-R681 IonicContact OD2-NE 3.7Å; D562-R681 PolarHBondContact OD2-NE 3.45Å; D562-R681 VanDerWaalsContact OD2-NE 3.1Å; D562-R681 IonicContact OD2-NH2 3.66Å; D562-R681 PolarHBondContact OD2-NH2 2.84Å
563	L	93.6	Very high	92.9	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-59.7	-43.9	175.5	179.2	57.5	0	0	0	112.2	F481 Y484 L544 D560 G565 D566 I567	F481-L563 HydrophobicContact CD1-CD1 4.18Å; F481-L563 HydrophobicContact CE1-CD1 4.13Å; Y484-L563 HydrophobicContact CD1-CD2 4.42Å; Y484-L563 HydrophobicContact CE1-CD1 4.07Å; Y484-L563 HydrophobicContact CE1-CD2 3.49Å; Y484-L563 VanDerWaalsContact CE1-CD2 3.49Å; Y484-L563 HydrophobicContact CE1-CG 4.42Å; Y484-L563 HydrophobicContact CE2-CD1 3.94Å; Y484-L563 VanDerWaalsContact CZ-CD1 3.48Å; Y484-L563 VanDerWaalsContact OH-CD1 3.27Å; Y484-L563 WeakPolarHBondContact OH-CD1 3.44Å; L544-L563 HydrophobicContact CB-CD2 4.32Å; L544-L563 HydrophobicContact CD1-CD2 4.29Å; L544-L563 HydrophobicContact CD2-CD2 4.3Å; D560-L563 HydrophobicContact CB-CB 3.94Å; D560-L563 PolarHBondContact OD1-N 3.21Å; L563-G565 VanDerWaalsContact C-N 3.31Å; L563-G565 PolarHBondContact O-N 2.79Å; L563-D566 PolarHBondContact O-N 3.35Å; L563-I567 HydrophobicContact CD1-CD1 3.95Å; L563-I567 HydrophobicContact CD1-CG1 4.22Å; L563-I567 HydrophobicContact CG-CD1 4Å; L563-I567 VanDerWaalsContact O-CG1 3.32Å; L563-I567 WeakPolarHBondContact O-CG1 3.24Å; L563-I567 PolarHBondContact O-N 3.36Å
564	A	94.8	Very high	92.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-43.7	175.1	0	0	0	0	0	111.3	V499 T558 D560 D562 I567 I568 F586 L685	V499-A564 HydrophobicContact CG2-CB 4.07Å; T558-A564 HydrophobicContact CG2-CB 3.82Å; D560-A564 PolarHBondContact O-N 2.79Å; D562-A564 PolarHBondContact O-N 2.93Å; A564-I567 PolarHBondContact O-N 2.64Å; A564-I568 WeakPolarHBondContact O-CD1 3.43Å; A564-I568 WeakPolarHBondContact O-CG1 3.36Å; A564-I568 PolarHBondContact O-N 2.86Å; A564-F586 HydrophobicContact CB-CZ 3.98Å; A564-L685 HydrophobicContact CB-CD2 3.82Å
565	G	92.8	Very high	92.8	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-59	-48.5	174.9	0	0	0	0	0	112.6	I561 D562 L563 I567 I568 Q569	I561-G565 PolarHBondContact O-N 2.83Å; D562-G565 WeakPolarHBondContact O-CA 3.19Å; D562-G565 PolarHBondContact O-N 2.7Å; D562-G565 VanDerWaalsContact O-N 3.12Å; L563-G565 VanDerWaalsContact C-N 3.31Å; L563-G565 PolarHBondContact O-N 2.79Å; G565-I567 VanDerWaalsContact C-N 3.35Å; G565-I567 PolarHBondContact O-N 3.28Å; G565-I568 PolarHBondContact O-N 3.4Å; G565-Q569 WeakPolarHBondContact O-CB 3Å; G565-Q569 VanDerWaalsContact O-CG 3.27Å; G565-Q569 WeakPolarHBondContact O-CG 3.14Å; G565-Q569 PolarHBondContact O-N 3.1Å
566	D	92.1	Very high	92.6	Very high	24 Å²	24	26.8 Å²	26.8	13%	0.128	16%	0.16	C	C	.	.	H	α-helix	trans	-64.9	-37.4	-178.7	-72.9	-20.7	0	0	0	113	F481 D562 L563 S570 R684	F481-D566 HydrophobicContact CE1-CB 4Å; F481-D566 HydrophobicContact CZ-CB 4.2Å; D562-D566 PolarHBondContact O-N 2.76Å; L563-D566 PolarHBondContact O-N 3.35Å; D566-S570 VanDerWaalsContact O-CB 3.26Å; D566-S570 WeakPolarHBondContact O-CB 3.4Å; D566-S570 PolarHBondContact O-N 3.27Å; D566-S570 PolarHBondContact O-OG 3.04Å; D566-R684 IonicContact OD1-CZ 2.66Å; D566-R684 VanDerWaalsContact OD1-CZ 3.26Å; D566-R684 IonicContact OD1-NE 3.16Å; D566-R684 PolarHBondContact OD1-NE 3.39Å; D566-R684 VanDerWaalsContact OD1-NE 3.12Å; D566-R684 IonicContact OD1-NH2 3.93Å; D566-R684 PolarHBondContact OD1-NH2 2.91Å
567	I	94.6	Very high	92.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-47.2	173.5	-69.3	169	0	0	0	110.3	F481 W513 L544 I556 L563 A564 G565 S570 M571	F481-I567 HydrophobicContact CE1-CG1 4.07Å; F481-I567 HydrophobicContact CE2-CG1 4.23Å; F481-I567 HydrophobicContact CZ-CG1 3.8Å; W513-I567 HydrophobicContact CH2-CG2 3.74Å; W513-I567 HydrophobicContact CZ2-CG2 4.21Å; L544-I567 HydrophobicContact CD1-CD1 3.57Å; L544-I567 HydrophobicContact CD2-CD1 3.62Å; L544-I567 HydrophobicContact CG-CD1 4.24Å; I556-I567 HydrophobicContact CD1-CB 4.15Å; I556-I567 HydrophobicContact CD1-CG2 3.49Å; I556-I567 VanDerWaalsContact CD1-CG2 3.49Å; I556-I567 HydrophobicContact CG1-CG2 4.49Å; I556-I567 HydrophobicContact CG2-CD1 4.48Å; L563-I567 HydrophobicContact CD1-CD1 3.95Å; L563-I567 HydrophobicContact CD1-CG1 4.22Å; L563-I567 HydrophobicContact CG-CD1 4Å; L563-I567 VanDerWaalsContact O-CG1 3.32Å; L563-I567 WeakPolarHBondContact O-CG1 3.24Å; L563-I567 PolarHBondContact O-N 3.36Å; A564-I567 PolarHBondContact O-N 2.64Å; G565-I567 VanDerWaalsContact C-N 3.35Å; G565-I567 PolarHBondContact O-N 3.28Å; I567-S570 PolarHBondContact O-N 3.47Å; I567-S570 PolarHBondContact O-OG 3.37Å; I567-M571 HydrophobicContact CG2-CE 3.79Å; I567-M571 HydrophobicContact CG2-CG 4.36Å; I567-M571 HydrophobicContact CG2-SD 4.17Å; I567-M571 WeakPolarHBondContact O-CB 2.91Å; I567-M571 VanDerWaalsContact O-CG 3.3Å; I567-M571 WeakPolarHBondContact O-CG 3.37Å; I567-M571 PolarHBondContact O-N 2.94Å
568	I	93.8	Very high	91.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.2	-46.3	-179	-68.1	163.1	0	0	0	111.1	V499 F501 I556 A564 G565 S570 M571 A572 L580 V582 L685 V687	V499-I568 HydrophobicContact CB-CD1 4.34Å; V499-I568 HydrophobicContact CG1-CD1 3.67Å; F501-I568 HydrophobicContact CD1-CG1 4.41Å; F501-I568 HydrophobicContact CE1-CD1 4.31Å; F501-I568 HydrophobicContact CE1-CG1 3.8Å; F501-I568 HydrophobicContact CZ-CG1 4.1Å; I556-I568 HydrophobicContact CD1-CD1 4.44Å; I556-I568 HydrophobicContact CD1-CG1 3.86Å; A564-I568 WeakPolarHBondContact O-CD1 3.43Å; A564-I568 WeakPolarHBondContact O-CG1 3.36Å; A564-I568 PolarHBondContact O-N 2.86Å; G565-I568 PolarHBondContact O-N 3.4Å; I568-S570 PolarHBondContact O-N 3.04Å; I568-M571 PolarHBondContact O-N 2.84Å; I568-A572 WeakPolarHBondContact O-CB 3.34Å; I568-A572 PolarHBondContact O-N 3.36Å; I568-L580 HydrophobicContact CG2-CD2 3.71Å; I568-V582 HydrophobicContact CD1-CG1 4.36Å; I568-L685 HydrophobicContact CD1-CD2 3.94Å; I568-V687 HydrophobicContact CG2-CG2 4.26Å
569	Q	91.1	Very high	91.7	Very high	42 Å²	42	39.8 Å²	39.8	20%	0.196	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-43.3	178.5	-67.6	-62.3	-29.7	0	0	111.8	G565 A572 S573 R684 R686	G565-Q569 WeakPolarHBondContact O-CB 3Å; G565-Q569 VanDerWaalsContact O-CG 3.27Å; G565-Q569 WeakPolarHBondContact O-CG 3.14Å; G565-Q569 PolarHBondContact O-N 3.1Å; Q569-A572 PolarHBondContact O-N 3.29Å; Q569-S573 WeakPolarHBondContact O-CB 3.28Å; Q569-S573 PolarHBondContact O-N 2.57Å; Q569-R684 HydrophobicContact CG-CG 4.19Å; Q569-R684 PolarHBondContact NE2-O 3.48Å; Q569-R686 PolarHBondContact NE2-O 3.32Å
570	S	92.7	Very high	91.6	Very high	8 Å²	8	35.9 Å²	35.9	6%	0.056	20%	0.202	C	C	.	.	H	α-helix	trans	-70.1	-34.3	178.3	59.2	0	0	0	0	112.9	W513 D566 I567 I568 F574	W513-S570 WeakPolarHBondContact CZ2-OG 3.3Å; W513-S570 PolarHBondContact NE1-O 3Å; D566-S570 VanDerWaalsContact O-CB 3.26Å; D566-S570 WeakPolarHBondContact O-CB 3.4Å; D566-S570 PolarHBondContact O-N 3.27Å; D566-S570 PolarHBondContact O-OG 3.04Å; I567-S570 PolarHBondContact O-N 3.47Å; I567-S570 PolarHBondContact O-OG 3.37Å; I568-S570 PolarHBondContact O-N 3.04Å; S570-F574 VanDerWaalsContact O-CB 3.3Å; S570-F574 WeakPolarHBondContact O-CB 3.48Å; S570-F574 PolarHBondContact O-N 3.07Å; S570-F574 VanDerWaalsContact O-N 3.07Å
571	M	91.9	Very high	91.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-48.9	170.7	-77.2	-171.9	179.1	0	0	111	F501 W513 I546 I554 I567 I568 S573 F574 F575	F501-M571 HydrophobicContact CE2-SD 4.49Å; F501-M571 HydrophobicContact CZ-SD 3.94Å; W513-M571 HydrophobicContact CD2-CE 4.25Å; W513-M571 HydrophobicContact CD2-CG 3.9Å; W513-M571 VanDerWaalsContact CE2-CG 3.49Å; W513-M571 HydrophobicContact CE3-CE 3.67Å; W513-M571 HydrophobicContact CE3-CG 4.28Å; W513-M571 HydrophobicContact CH2-CE 3.53Å; W513-M571 HydrophobicContact CH2-CG 4Å; W513-M571 HydrophobicContact CZ2-CE 4.09Å; W513-M571 HydrophobicContact CZ2-CG 3.55Å; W513-M571 HydrophobicContact CZ3-CE 3.28Å; W513-M571 HydrophobicContact CZ3-CG 4.34Å; I546-M571 HydrophobicContact CG2-CE 4.49Å; I554-M571 HydrophobicContact CD1-SD 4.18Å; I567-M571 HydrophobicContact CG2-CE 3.79Å; I567-M571 HydrophobicContact CG2-CG 4.36Å; I567-M571 HydrophobicContact CG2-SD 4.17Å; I567-M571 WeakPolarHBondContact O-CB 2.91Å; I567-M571 VanDerWaalsContact O-CG 3.3Å; I567-M571 WeakPolarHBondContact O-CG 3.37Å; I567-M571 PolarHBondContact O-N 2.94Å; I568-M571 PolarHBondContact O-N 2.84Å; M571-S573 PolarHBondContact O-N 3.36Å; M571-F574 PolarHBondContact O-N 2.63Å; M571-F575 HydrophobicContact CB-CD2 4.19Å; M571-F575 HydrophobicContact CB-CE2 4.13Å; M571-F575 HydrophobicContact CG-CE2 4.36Å; M571-F575 WeakPolarHBondContact O-CD2 3.38Å; M571-F575 PolarHBondContact O-N 3.03Å
572	A	91.4	Very high	91.7	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-42.3	-179.4	0	0	0	0	0	112.4	I568 Q569 F574 F575 A576 I577 V687	I568-A572 WeakPolarHBondContact O-CB 3.34Å; I568-A572 PolarHBondContact O-N 3.36Å; Q569-A572 PolarHBondContact O-N 3.29Å; A572-F574 PolarHBondContact O-N 2.8Å; A572-F575 PolarHBondContact O-N 3.2Å; A572-A576 WeakPolarHBondContact O-CA 3.39Å; A572-A576 PolarHBondContact O-N 3.46Å; A572-I577 HydrophobicContact CB-CB 4.22Å; A572-I577 PolarHBondContact O-N 3.05Å; A572-V687 HydrophobicContact CB-CB 4.26Å; A572-V687 HydrophobicContact CB-CG1 4.03Å; A572-V687 HydrophobicContact CB-CG2 3.61Å
573	S	89.9	Confident	91.8	Very high	98 Å²	98	38.6 Å²	38.6	69%	0.685	21%	0.211	S	C	*	.	H	α-helix	trans	-60.6	-44	173.2	177.7	0	0	0	0	112.1	Q569 M571 A576	Q569-S573 WeakPolarHBondContact O-CB 3.28Å; Q569-S573 PolarHBondContact O-N 2.57Å; M571-S573 PolarHBondContact O-N 3.36Å; S573-A576 PolarHBondContact O-N 2.67Å
574	F	91.6	Very high	91.9	Very high	55 Å²	55	38.3 Å²	38.3	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-67.9	-35.6	179.6	-179.9	-98	0	0	0	113.7	R509 V512 W513 S570 M571 A572	R509-F574 PolarHBondContact NH2-O 3.25Å; R509-F574 VanDerWaalsContact NH2-O 3.14Å; V512-F574 HydrophobicContact CG1-CZ 4.11Å; W513-F574 HydrophobicContact CB-CD1 3.77Å; W513-F574 HydrophobicContact CB-CE1 3.73Å; W513-F574 HydrophobicContact CB-CG 4.28Å; W513-F574 HydrophobicContact CB-CZ 4.21Å; W513-F574 AromaticContact CD1-CD1 3.76Å; W513-F574 AromaticContact CD1-CG 3.52Å; W513-F574 HydrophobicContact CG-CD1 4.12Å; W513-F574 HydrophobicContact CG-CG 4.28Å; S570-F574 VanDerWaalsContact O-CB 3.3Å; S570-F574 WeakPolarHBondContact O-CB 3.48Å; S570-F574 PolarHBondContact O-N 3.07Å; S570-F574 VanDerWaalsContact O-N 3.07Å; M571-F574 PolarHBondContact O-N 2.63Å; A572-F574 PolarHBondContact O-N 2.8Å
575	F	90.6	Very high	91.9	Very high	14 Å²	14	40 Å²	40	6%	0.061	22%	0.219	C	C	.	.	H	α-helix	trans	-86.8	-6.1	177.3	-65.2	-58.1	0	0	0	113.5	I503 E505 R509 A510 M571 A572 I577	I503-F575 HydrophobicContact CD1-CD2 3.71Å; I503-F575 HydrophobicContact CD1-CE2 3.69Å; I503-F575 HydrophobicContact CG2-CD2 4.49Å; E505-F575 HydrophobicContact CB-CD1 4.2Å; E505-F575 HydrophobicContact CB-CE1 4.26Å; E505-F575 HydrophobicContact CG-CD1 3.84Å; E505-F575 HydrophobicContact CG-CE1 4.37Å; E505-F575 HydrophobicContact CG-CG 4.31Å; R509-F575 HydrophobicContact CB-CE1 3.69Å; A510-F575 HydrophobicContact CB-CZ 4.26Å; M571-F575 HydrophobicContact CB-CD2 4.19Å; M571-F575 HydrophobicContact CB-CE2 4.13Å; M571-F575 HydrophobicContact CG-CE2 4.36Å; M571-F575 WeakPolarHBondContact O-CD2 3.38Å; M571-F575 PolarHBondContact O-N 3.03Å; A572-F575 PolarHBondContact O-N 3.2Å; F575-I577 HydrophobicContact CB-CD1 3.82Å; F575-I577 HydrophobicContact CB-CG1 3.77Å; F575-I577 HydrophobicContact CD2-CD1 4.4Å
576	A	89.8	Confident	92	Very high	87 Å²	87	40 Å²	40	72%	0.719	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	48.8	-172.6	0	0	0	0	0	112.6	A572 S573	A572-A576 WeakPolarHBondContact O-CA 3.39Å; A572-A576 PolarHBondContact O-N 3.46Å; S573-A576 PolarHBondContact O-N 2.67Å
577	I	89.3	Confident	92	Very high	40 Å²	40	41.1 Å²	41.1	21%	0.205	23%	0.228	C	C	.	.			trans	-89.6	122.2	175.8	-58.3	169.6	0	0	0	108.6	I503 A572 F575 D579 L580	I503-I577 HydrophobicContact CD1-CD1 4.26Å; I503-I577 HydrophobicContact CG1-CD1 4.34Å; I503-I577 HydrophobicContact CG2-CD1 3.77Å; A572-I577 HydrophobicContact CB-CB 4.22Å; A572-I577 PolarHBondContact O-N 3.05Å; F575-I577 HydrophobicContact CB-CD1 3.82Å; F575-I577 HydrophobicContact CB-CG1 3.77Å; F575-I577 HydrophobicContact CD2-CD1 4.4Å; I577-D579 WeakPolarHBondContact CG2-O 3.07Å; I577-L580 HydrophobicContact CG2-CB 4.19Å
578	E	86.8	Confident	92	Very high	168 Å²	168	46.4 Å²	46.4	79%	0.785	26%	0.26	S	S	*	.	S	Bend	trans	-78.2	-50.1	178.5	-65.8	178.3	178.6	0	0	112	V687 G688	E578-V687 CarbonylContact O-C 3.54Å; E578-G688 WeakPolarHBondContact O-CA 3.41Å; E578-G688 PolarHBondContact O-N 2.91Å
579	D	89.9	Confident	92	Very high	79 Å²	79	48.2 Å²	48.2	42%	0.422	27%	0.267	S	S	.	.			trans	-120.6	126.1	-177.2	-74.8	-36.1	0	0	0	110.9	I577 V687 G688 K689	I577-D579 WeakPolarHBondContact CG2-O 3.07Å; D579-V687 WeakPolarHBondContact CA-O 3.26Å; D579-G688 WeakPolarHBondContact OD1-CA 3.42Å; D579-K689 PolarHBondContact OD1-N 3.42Å
580	L	91.2	Very high	92	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.063	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-138.6	124.4	176.2	-172.7	68.1	0	0	0	111.8	F501 I568 I577 V582 V687	F501-L580 HydrophobicContact CB-CD1 4.37Å; F501-L580 HydrophobicContact CD2-CD1 4.04Å; F501-L580 HydrophobicContact CD2-CD2 3.75Å; F501-L580 HydrophobicContact CD2-CG 4.37Å; F501-L580 HydrophobicContact CE2-CD2 4.05Å; F501-L580 HydrophobicContact CG-CD2 4.32Å; I568-L580 HydrophobicContact CG2-CD2 3.71Å; I577-L580 HydrophobicContact CG2-CB 4.19Å; L580-V582 HydrophobicContact CG-CG1 4.42Å; L580-V687 HydrophobicContact CB-CB 3.92Å; L580-V687 HydrophobicContact CB-CG2 4.1Å; L580-V687 HydrophobicContact CD2-CG2 4.42Å; L580-V687 PolarHBondContact N-O 3.17Å; L580-V687 PolarHBondContact O-N 3.14Å
581	Q	92.3	Very high	92	Very high	72 Å²	72	50.5 Å²	50.5	34%	0.336	28%	0.277	S	S	.	.			trans	-102.7	144.1	172.4	-176.1	64.6	-11.3	0	0	111.1	R686 P690 V716	Q581-R686 VanDerWaalsContact OE1-NE 3.14Å; Q581-P690 VanDerWaalsContact OE1-CB 3.23Å; Q581-V716 PolarHBondContact NE2-O 3.36Å
582	V	93.8	Very high	92.1	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.024	30%	0.303	C	S	.	.			trans	-130.9	150.6	-178.5	-47.5	0	0	0	0	112.1	V499 F501 I568 L580 L685 R686	V499-V582 HydrophobicContact CG1-CB 3.79Å; V499-V582 HydrophobicContact CG1-CG1 4.34Å; V499-V582 HydrophobicContact CG1-CG2 3.98Å; F501-V582 HydrophobicContact CB-CB 4.41Å; F501-V582 HydrophobicContact CB-CG1 3.95Å; F501-V582 HydrophobicContact CD1-CG1 4.47Å; F501-V582 HydrophobicContact CG-CG1 4.36Å; I568-V582 HydrophobicContact CD1-CG1 4.36Å; L580-V582 HydrophobicContact CG-CG1 4.42Å; V582-L685 WeakPolarHBondContact CG1-O 3.46Å; V582-L685 HydrophobicContact CG2-CB 4.07Å; V582-L685 WeakPolarHBondContact CG2-O 3.34Å; V582-R686 HydrophobicContact CG2-CG 3.87Å; V582-R686 PolarHBondContact O-NH2 3.12Å; V582-R686 VanDerWaalsContact O-NH2 3.1Å
583	E	94.7	Very high	92.2	Very high	95 Å²	95	56.4 Å²	56.4	44%	0.444	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.6	164.9	-178.8	-180	-163.9	0	0	108.3	V499 N500	V499-E583 CarbonylContact C-O 3.54Å; V499-E583 WeakPolarHBondContact CA-O 3.43Å; N500-E583 PolarHBondContact N-O 3.23Å; N500-E583 PolarHBondContact O-N 3.38Å
584	A	94.6	Very high	92.3	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.017	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.3	-175.3	0	0	0	0	0	111.2	Y498 V499 F586 L685 R715	Y498-A584 WeakPolarHBondContact O-CA 3.23Å; V499-A584 HydrophobicContact CB-CB 4.45Å; V499-A584 HydrophobicContact CG1-CB 4.17Å; V499-A584 HydrophobicContact CG2-CB 3.88Å; A584-F586 HydrophobicContact CB-CD2 4.34Å; A584-F586 HydrophobicContact CB-CE2 3.94Å; A584-L685 HydrophobicContact CB-CD1 4.12Å; A584-R715 PolarHBondContact N-O 2.89Å; A584-R715 WeakPolarHBondContact O-CA 3.38Å; A584-R715 VanDerWaalsContact O-CB 3.31Å; A584-R715 WeakPolarHBondContact O-CB 3.24Å; A584-R715 VanDerWaalsContact O-CG 3.3Å; A584-R715 WeakPolarHBondContact O-CG 3.41Å
585	D	94.6	Very high	92.4	Very high	36 Å²	36	58.8 Å²	58.8	19%	0.193	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	123	167	-165.6	27.3	0	0	0	111.2	S497 Y498 R715	S497-D585 VanDerWaalsContact CA-O 3.29Å; S497-D585 WeakPolarHBondContact CA-O 3.5Å; Y498-D585 HydrophobicContact CD1-CB 4.38Å; Y498-D585 HydrophobicContact CE1-CB 3.83Å; Y498-D585 PolarHBondContact N-O 3.44Å; Y498-D585 PolarHBondContact O-N 3.01Å; D585-R715 IonicContact OD1-CZ 2.63Å; D585-R715 IonicContact OD1-NE 3.57Å; D585-R715 PolarHBondContact OD1-NE 3.23Å; D585-R715 IonicContact OD1-NH2 2.77Å; D585-R715 PolarHBondContact OD1-NH2 2.93Å; D585-R715 IonicContact OD2-NH2 2.7Å
586	F	95.1	Very high	92.5	Very high	1 Å²	1	59.1 Å²	59.1	0%	0.004	30%	0.303	C	S	.	.			trans	-127.1	78.5	177.7	-65	-87	0	0	0	109.2	V499 T558 I561 A564 A584 V588 Y589 F590 L685	V499-F586 HydrophobicContact CG2-CE2 3.65Å; V499-F586 HydrophobicContact CG2-CZ 3.45Å; V499-F586 VanDerWaalsContact CG2-CZ 3.45Å; T558-F586 WeakPolarHBondContact O-CE1 3.48Å; I561-F586 HydrophobicContact CB-CD1 4.32Å; I561-F586 HydrophobicContact CB-CE1 4.11Å; I561-F586 HydrophobicContact CB-CE2 4.36Å; I561-F586 HydrophobicContact CB-CZ 4.13Å; I561-F586 HydrophobicContact CD1-CD2 4.09Å; I561-F586 HydrophobicContact CD1-CE2 4.16Å; I561-F586 HydrophobicContact CG1-CD2 4.23Å; I561-F586 HydrophobicContact CG1-CE1 4.5Å; I561-F586 HydrophobicContact CG1-CE2 3.88Å; I561-F586 HydrophobicContact CG1-CZ 4.03Å; A564-F586 HydrophobicContact CB-CZ 3.98Å; A584-F586 HydrophobicContact CB-CD2 4.34Å; A584-F586 HydrophobicContact CB-CE2 3.94Å; F586-V588 PolarHBondContact O-N 3.23Å; F586-Y589 PolarHBondContact O-N 3.46Å; F586-F590 HydrophobicContact CB-CD2 4.36Å; F586-F590 HydrophobicContact CB-CE2 4.19Å; F586-F590 HydrophobicContact CB-CZ 4.48Å; F586-F590 HydrophobicContact CD2-CZ 4.47Å; F586-F590 WeakPolarHBondContact O-CB 3.42Å; F586-F590 WeakPolarHBondContact O-CD2 3.39Å; F586-F590 WeakPolarHBondContact O-CG 3.35Å; F586-F590 PolarHBondContact O-N 3.01Å; F586-L685 HydrophobicContact CE2-CD1 3.84Å; F586-L685 HydrophobicContact CE2-CD2 4.47Å
587	P	93	Very high	92.5	Very high	48 Å²	48	55.9 Å²	55.9	31%	0.312	27%	0.273	S	S	.	.	H	α-helix	trans	-60	-43.5	-168.7	-25.9	34.9	0	0	0	114	I496 E591	I496-P587 HydrophobicContact CG2-CG 4.5Å; P587-E591 WeakPolarHBondContact O-CB 3.35Å; P587-E591 PolarHBondContact O-N 3.15Å; P587-E591 VanDerWaalsContact O-N 3.08Å
588	V	93.4	Very high	92.6	Very high	111 Å²	111	58.1 Å²	58.1	67%	0.673	29%	0.289	S	S	*	.	H	α-helix	trans	-64.8	-46.5	-179	-179.9	0	0	0	0	110.5	F586 E591 E592	F586-V588 PolarHBondContact O-N 3.23Å; V588-E591 PolarHBondContact O-N 3.47Å; V588-E592 PolarHBondContact O-N 3.34Å; V588-E592 VanDerWaalsContact O-N 3.11Å
589	Y	93.7	Very high	92.8	Very high	37 Å²	37	54.9 Å²	54.9	15%	0.145	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-43.7	179.1	-178.7	-113.4	0	0	0	112.4	I561 F586 E591 E592 L593 A678 R681	I561-Y589 HydrophobicContact CD1-CD1 4.01Å; I561-Y589 HydrophobicContact CD1-CE1 3.81Å; I561-Y589 HydrophobicContact CG2-CE1 4.33Å; F586-Y589 PolarHBondContact O-N 3.46Å; Y589-E591 VanDerWaalsContact C-N 3.33Å; Y589-E591 PolarHBondContact O-N 3Å; Y589-E592 PolarHBondContact O-N 3.45Å; Y589-L593 PolarHBondContact O-N 3.27Å; Y589-A678 HydrophobicContact CE1-CB 4.39Å; Y589-A678 VanDerWaalsContact OH-CA 3.28Å; Y589-A678 WeakPolarHBondContact OH-CA 3.36Å; Y589-A678 WeakPolarHBondContact OH-CB 3.44Å; Y589-R681 WeakPolarHBondContact OH-CD 3.46Å; Y589-R681 PolarHBondContact OH-NH1 3.49Å
590	F	92.8	Very high	92.7	Very high	9 Å²	9	51.7 Å²	51.7	4%	0.039	26%	0.255	C	S	.	.	H	α-helix	trans	-66.7	-33.9	179	-68.6	-39.5	0	0	0	112.9	F586 L593 R594 F711 M714 R715	F586-F590 HydrophobicContact CB-CD2 4.36Å; F586-F590 HydrophobicContact CB-CE2 4.19Å; F586-F590 HydrophobicContact CB-CZ 4.48Å; F586-F590 HydrophobicContact CD2-CZ 4.47Å; F586-F590 WeakPolarHBondContact O-CB 3.42Å; F586-F590 WeakPolarHBondContact O-CD2 3.39Å; F586-F590 WeakPolarHBondContact O-CG 3.35Å; F586-F590 PolarHBondContact O-N 3.01Å; F590-L593 PolarHBondContact O-N 3.11Å; F590-R594 WeakPolarHBondContact O-CB 3.46Å; F590-R594 PolarHBondContact O-N 3.49Å; F590-F711 HydrophobicContact CB-CD1 3.86Å; F590-F711 HydrophobicContact CB-CE1 3.74Å; F590-F711 AromaticContact CD1-CD1 3.63Å; F590-F711 HydrophobicContact CD1-CD1 3.63Å; F590-F711 AromaticContact CD1-CE1 3.78Å; F590-F711 HydrophobicContact CD1-CE1 3.78Å; F590-F711 HydrophobicContact CE1-CD1 4.36Å; F590-F711 AromaticContact CG-CD1 3.84Å; F590-F711 HydrophobicContact CG-CD1 3.84Å; F590-F711 HydrophobicContact CG-CE1 4.07Å; F590-F711 WeakPolarHBondContact O-CE1 3.42Å; F590-F711 WeakPolarHBondContact O-CZ 3.36Å; F590-M714 HydrophobicContact CE1-CB 3.92Å; F590-M714 HydrophobicContact CE1-SD 3.96Å; F590-M714 HydrophobicContact CZ-CB 4.04Å; F590-R715 HydrophobicContact CD2-CG 4.42Å; F590-R715 HydrophobicContact CE2-CG 3.63Å; F590-R715 HydrophobicContact CZ-CG 4.14Å
591	E	92.8	Very high	92.5	Very high	89 Å²	89	55.1 Å²	55.1	42%	0.416	27%	0.274	S	S	.	.	H	α-helix	trans	-71.2	-35.2	175.1	-172.6	55.2	-153.6	0	0	112.2	P587 V588 Y589 R594 K595	P587-E591 WeakPolarHBondContact O-CB 3.35Å; P587-E591 PolarHBondContact O-N 3.15Å; P587-E591 VanDerWaalsContact O-N 3.08Å; V588-E591 PolarHBondContact O-N 3.47Å; Y589-E591 VanDerWaalsContact C-N 3.33Å; Y589-E591 PolarHBondContact O-N 3Å; E591-R594 PolarHBondContact O-N 3.44Å; E591-R594 IonicContact OE2-NE 3.18Å; E591-K595 WeakPolarHBondContact O-CG 3.45Å; E591-K595 PolarHBondContact O-N 2.88Å
592	E	93.3	Very high	92.4	Very high	121 Å²	121	57.2 Å²	57.2	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-63.4	-47.7	170.7	-171.8	175.7	-173.1	0	0	111.4	V588 Y589 R594 K595 V596	V588-E592 PolarHBondContact O-N 3.34Å; V588-E592 VanDerWaalsContact O-N 3.11Å; Y589-E592 PolarHBondContact O-N 3.45Å; E592-R594 VanDerWaalsContact C-N 3.26Å; E592-R594 PolarHBondContact O-N 2.85Å; E592-K595 WeakPolarHBondContact O-CB 3.23Å; E592-K595 PolarHBondContact O-N 2.72Å; E592-K595 VanDerWaalsContact O-N 3.08Å; E592-V596 WeakPolarHBondContact O-CG2 3.29Å; E592-V596 PolarHBondContact O-N 2.58Å
593	L	92.8	Very high	92.2	Very high	7 Å²	7	59 Å²	59	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-36.8	176.5	-177.7	59.2	0	0	0	112.2	Y589 F590 K595 V596 L597 V675 A678 F711 M714	Y589-L593 PolarHBondContact O-N 3.27Å; F590-L593 PolarHBondContact O-N 3.11Å; L593-K595 VanDerWaalsContact C-N 3.33Å; L593-K595 PolarHBondContact O-N 3.01Å; L593-V596 PolarHBondContact O-N 3.42Å; L593-L597 HydrophobicContact CG-CD1 4.39Å; L593-L597 WeakPolarHBondContact O-CG 3.44Å; L593-L597 PolarHBondContact O-N 2.86Å; L593-V675 HydrophobicContact CD1-CG2 4.24Å; L593-A678 HydrophobicContact CD1-CB 3.71Å; L593-A678 HydrophobicContact CD2-CB 3.49Å; L593-A678 VanDerWaalsContact CD2-CB 3.49Å; L593-A678 HydrophobicContact CG-CB 4.24Å; L593-F711 HydrophobicContact CB-CE1 4.15Å; L593-F711 HydrophobicContact CB-CZ 4.3Å; L593-F711 HydrophobicContact CD2-CE1 3.84Å; L593-F711 HydrophobicContact CD2-CZ 4.44Å; L593-F711 HydrophobicContact CG-CE1 4.14Å; L593-F711 HydrophobicContact CG-CZ 4.3Å; L593-M714 HydrophobicContact CD2-CE 3.64Å; L593-M714 HydrophobicContact CD2-SD 4.1Å
594	R	92.5	Very high	91.8	Very high	80 Å²	80	58.3 Å²	58.3	30%	0.302	29%	0.287	S	S	.	.	H	α-helix	trans	-60.5	-44.2	175.2	-175.4	-176.4	-63.9	-82	-1.4	111.2	F590 E591 E592 V596 L597 V598 N708 F711	F590-R594 WeakPolarHBondContact O-CB 3.46Å; F590-R594 PolarHBondContact O-N 3.49Å; E591-R594 PolarHBondContact O-N 3.44Å; E591-R594 IonicContact OE2-NE 3.18Å; E592-R594 VanDerWaalsContact C-N 3.26Å; E592-R594 PolarHBondContact O-N 2.85Å; R594-V596 VanDerWaalsContact C-N 3.32Å; R594-V596 PolarHBondContact O-N 3.34Å; R594-L597 PolarHBondContact O-N 3Å; R594-V598 WeakPolarHBondContact O-CG2 3.15Å; R594-V598 PolarHBondContact O-N 2.95Å; R594-V598 VanDerWaalsContact O-N 3.16Å; R594-N708 PolarHBondContact NH1-OD1 3.1Å; R594-F711 HydrophobicContact CB-CE2 3.91Å; R594-F711 HydrophobicContact CB-CZ 3.81Å; R594-F711 HydrophobicContact CG-CE2 4.26Å
595	K	93.1	Very high	91.5	Very high	123 Å²	123	60.4 Å²	60.4	54%	0.535	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-38.7	176.9	-67.8	168.8	-174.3	169.4	0	111.5	E591 E592 L593 K599	E591-K595 WeakPolarHBondContact O-CG 3.45Å; E591-K595 PolarHBondContact O-N 2.88Å; E592-K595 WeakPolarHBondContact O-CB 3.23Å; E592-K595 PolarHBondContact O-N 2.72Å; E592-K595 VanDerWaalsContact O-N 3.08Å; L593-K595 VanDerWaalsContact C-N 3.33Å; L593-K595 PolarHBondContact O-N 3.01Å; K595-K599 WeakPolarHBondContact O-CG 3.2Å; K595-K599 PolarHBondContact O-N 2.92Å; K595-K599 VanDerWaalsContact O-N 3.13Å
596	V	93.1	Very high	91.3	Very high	20 Å²	20	61 Å²	61	12%	0.121	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-48.3	176.1	175	0	0	0	0	110.8	E592 L593 R594 V598 K599 V600 N671 A674 V675	E592-V596 WeakPolarHBondContact O-CG2 3.29Å; E592-V596 PolarHBondContact O-N 2.58Å; L593-V596 PolarHBondContact O-N 3.42Å; R594-V596 VanDerWaalsContact C-N 3.32Å; R594-V596 PolarHBondContact O-N 3.34Å; V596-V598 VanDerWaalsContact C-N 3.34Å; V596-V598 PolarHBondContact O-N 3.48Å; V596-K599 WeakPolarHBondContact O-CB 3.43Å; V596-K599 PolarHBondContact O-N 2.86Å; V596-K599 VanDerWaalsContact O-N 3.11Å; V596-V600 WeakPolarHBondContact O-CG2 3.48Å; V596-V600 PolarHBondContact O-N 2.63Å; V596-N671 HydrophobicContact CG1-CB 3.78Å; V596-A674 HydrophobicContact CG1-CB 4.34Å; V596-V675 HydrophobicContact CG1-CG2 3.96Å
597	L	89.5	Confident	90.9	Very high	20 Å²	20	63.4 Å²	63.4	11%	0.105	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-42.3	179	-74.6	167.1	0	0	0	112.7	L593 R594 K599 V600 V675 I707 L710 F711	L593-L597 HydrophobicContact CG-CD1 4.39Å; L593-L597 WeakPolarHBondContact O-CG 3.44Å; L593-L597 PolarHBondContact O-N 2.86Å; R594-L597 PolarHBondContact O-N 3Å; L597-K599 VanDerWaalsContact C-N 3.32Å; L597-K599 PolarHBondContact O-N 3.44Å; L597-V600 PolarHBondContact O-N 2.76Å; L597-V675 HydrophobicContact CD2-CG1 4.04Å; L597-V675 HydrophobicContact CD2-CG2 3.7Å; L597-V675 HydrophobicContact CG-CG2 4.25Å; L597-I707 HydrophobicContact CD1-CG2 4.22Å; L597-L710 HydrophobicContact CD1-CD2 3.72Å; L597-F711 HydrophobicContact CD1-CZ 4.48Å
598	V	91	Very high	90.6	Very high	87 Å²	87	68.2 Å²	68.2	53%	0.527	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-39.9	176.3	173.3	0	0	0	0	111.6	R594 V596 E602	R594-V598 WeakPolarHBondContact O-CG2 3.15Å; R594-V598 PolarHBondContact O-N 2.95Å; R594-V598 VanDerWaalsContact O-N 3.16Å; V596-V598 VanDerWaalsContact C-N 3.34Å; V596-V598 PolarHBondContact O-N 3.48Å; V598-E602 PolarHBondContact O-N 3.29Å
599	K	91.4	Very high	90.4	Very high	100 Å²	100	69.4 Å²	69.4	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-66.8	-34.9	177.1	-75.2	-178.5	178.8	-174.1	0	112.7	K595 V596 L597 D601 E602 Y603	K595-K599 WeakPolarHBondContact O-CG 3.2Å; K595-K599 PolarHBondContact O-N 2.92Å; K595-K599 VanDerWaalsContact O-N 3.13Å; V596-K599 WeakPolarHBondContact O-CB 3.43Å; V596-K599 PolarHBondContact O-N 2.86Å; V596-K599 VanDerWaalsContact O-N 3.11Å; L597-K599 VanDerWaalsContact C-N 3.32Å; L597-K599 PolarHBondContact O-N 3.44Å; K599-D601 VanDerWaalsContact C-N 3.33Å; K599-D601 PolarHBondContact O-N 3.49Å; K599-E602 WeakPolarHBondContact O-CB 3.41Å; K599-E602 PolarHBondContact O-N 2.94Å; K599-Y603 HydrophobicContact CB-CD2 3.99Å; K599-Y603 HydrophobicContact CB-CE2 3.74Å; K599-Y603 HydrophobicContact CD-CE2 4.3Å; K599-Y603 HydrophobicContact CG-CE2 4.41Å; K599-Y603 WeakPolarHBondContact O-CB 3.48Å; K599-Y603 WeakPolarHBondContact O-CD2 3.48Å; K599-Y603 PolarHBondContact O-N 3.46Å
600	V	88.7	Confident	90.1	Very high	12 Å²	12	68.9 Å²	68.9	7%	0.073	33%	0.331	C	S	.	.	H	α-helix	trans	-57.5	-46.2	178.8	168.3	0	0	0	0	110.9	V596 L597 E602 Y603 H604 L668 N671 L672	V596-V600 WeakPolarHBondContact O-CG2 3.48Å; V596-V600 PolarHBondContact O-N 2.63Å; L597-V600 PolarHBondContact O-N 2.76Å; V600-E602 PolarHBondContact O-N 2.79Å; V600-Y603 PolarHBondContact O-N 2.83Å; V600-H604 PolarHBondContact O-CD2 3.02Å; V600-H604 PolarHBondContact O-N 2.73Å; V600-L668 HydrophobicContact CG1-CD1 4.16Å; V600-N671 HydrophobicContact CG2-CB 3.63Å; V600-L672 HydrophobicContact CG1-CD2 4.08Å
601	D	86.2	Confident	89.8	Confident	83 Å²	83	70.2 Å²	70.2	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-62.4	-42	177.3	-74.3	-13.7	0	0	0	112	K599 H604 S605 N705	K599-D601 VanDerWaalsContact C-N 3.33Å; K599-D601 PolarHBondContact O-N 3.49Å; D601-H604 PolarHBondContact O-N 2.98Å; D601-S605 PolarHBondContact O-N 2.87Å; D601-S605 VanDerWaalsContact O-N 3.11Å; D601-N705 PolarHBondContact OD2-ND2 3.25Å
602	E	90.3	Very high	89.7	Confident	117 Å²	117	68.5 Å²	68.5	55%	0.547	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-49.4	175.6	-175.4	-180	-177.6	0	0	111.1	V598 K599 V600 H604 S605 V606	V598-E602 PolarHBondContact O-N 3.29Å; K599-E602 WeakPolarHBondContact O-CB 3.41Å; K599-E602 PolarHBondContact O-N 2.94Å; V600-E602 PolarHBondContact O-N 2.79Å; E602-H604 PolarHBondContact O-N 3.39Å; E602-S605 PolarHBondContact O-N 2.98Å; E602-S605 VanDerWaalsContact O-N 3.15Å; E602-S605 PolarHBondContact O-OG 2.86Å; E602-V606 WeakPolarHBondContact O-CG2 3.36Å; E602-V606 PolarHBondContact O-N 3.19Å
603	Y	89.6	Confident	89.5	Confident	42 Å²	42	66.9 Å²	66.9	17%	0.165	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-40.4	-179.6	-73.3	-54.3	0	0	0	112.3	K599 V600 S605 V606 H607 N664 E667 N671	K599-Y603 HydrophobicContact CB-CD2 3.99Å; K599-Y603 HydrophobicContact CB-CE2 3.74Å; K599-Y603 HydrophobicContact CD-CE2 4.3Å; K599-Y603 HydrophobicContact CG-CE2 4.41Å; K599-Y603 WeakPolarHBondContact O-CB 3.48Å; K599-Y603 WeakPolarHBondContact O-CD2 3.48Å; K599-Y603 PolarHBondContact O-N 3.46Å; V600-Y603 PolarHBondContact O-N 2.83Å; Y603-S605 VanDerWaalsContact C-N 3.34Å; Y603-S605 PolarHBondContact O-N 2.79Å; Y603-V606 PolarHBondContact O-N 3.1Å; Y603-H607 VanDerWaalsContact O-CB 3.28Å; Y603-H607 WeakPolarHBondContact O-CB 3.36Å; Y603-H607 PolarHBondContact O-N 2.9Å; Y603-N664 VanDerWaalsContact CD1-ND2 3.33Å; Y603-N664 WeakPolarHBondContact CD1-ND2 3.34Å; Y603-E667 HydrophobicContact CE1-CB 4.25Å; Y603-E667 WeakPolarHBondContact CE1-OE2 3.33Å; Y603-E667 HydrophobicContact CE2-CB 4.43Å; Y603-E667 PolarHBondContact OH-OE2 2.68Å; Y603-N671 WeakPolarHBondContact CD2-ND2 3.27Å; Y603-N671 WeakPolarHBondContact CE2-ND2 3.27Å
604	H	86.2	Confident	89.2	Confident	80 Å²	80	67.5 Å²	67.5	37%	0.37	34%	0.341	S	S	.	.	H	α-helix	trans	-58.9	-44.7	172.9	-83.4	-60.2	0	0	0	111.9	V600 D601 E602 V606 H607 Q608	V600-H604 PolarHBondContact O-CD2 3.02Å; V600-H604 PolarHBondContact O-N 2.73Å; D601-H604 PolarHBondContact O-N 2.98Å; E602-H604 PolarHBondContact O-N 3.39Å; H604-V606 PolarHBondContact O-N 3.09Å; H604-H607 PolarHBondContact O-N 3.44Å; H604-Q608 PolarHBondContact O-N 3.33Å
605	S	88.8	Confident	89	Confident	46 Å²	46	66 Å²	66	32%	0.322	35%	0.345	S	S	.	.	H	α-helix	trans	-64	-39.6	179.3	82.7	0	0	0	0	112.6	D601 E602 Y603 K609	D601-S605 PolarHBondContact O-N 2.87Å; D601-S605 VanDerWaalsContact O-N 3.11Å; E602-S605 PolarHBondContact O-N 2.98Å; E602-S605 VanDerWaalsContact O-N 3.15Å; E602-S605 PolarHBondContact O-OG 2.86Å; Y603-S605 VanDerWaalsContact C-N 3.34Å; Y603-S605 PolarHBondContact O-N 2.79Å; S605-K609 WeakPolarHBondContact O-CG 3.23Å; S605-K609 PolarHBondContact O-N 2.84Å
606	V	89.9	Confident	88.9	Confident	48 Å²	48	65.1 Å²	65.1	29%	0.291	35%	0.346	S	S	.	.	H	α-helix	trans	-69.8	-42.1	177.3	173.2	0	0	0	0	110.5	E602 Y603 H604 Q608 K609 L610 N664	E602-V606 WeakPolarHBondContact O-CG2 3.36Å; E602-V606 PolarHBondContact O-N 3.19Å; Y603-V606 PolarHBondContact O-N 3.1Å; H604-V606 PolarHBondContact O-N 3.09Å; V606-Q608 VanDerWaalsContact C-N 3.32Å; V606-Q608 PolarHBondContact O-N 2.96Å; V606-K609 PolarHBondContact O-N 2.99Å; V606-L610 HydrophobicContact CG1-CD1 3.76Å; V606-L610 HydrophobicContact CG1-CG 4.26Å; V606-L610 WeakPolarHBondContact O-CB 3.48Å; V606-L610 WeakPolarHBondContact O-CG 3.5Å; V606-L610 PolarHBondContact O-N 2.77Å; V606-N664 WeakPolarHBondContact CG1-ND2 3.39Å
607	H	86.3	Confident	88.7	Confident	51 Å²	51	67 Å²	67	24%	0.236	35%	0.354	C	S	.	.	H	α-helix	trans	-58.9	-43.8	177.1	-172.3	81.5	0	0	0	112	Y603 H604 S611 N664 H665	Y603-H607 VanDerWaalsContact O-CB 3.28Å; Y603-H607 WeakPolarHBondContact O-CB 3.36Å; Y603-H607 PolarHBondContact O-N 2.9Å; H604-H607 PolarHBondContact O-N 3.44Å; H607-S611 VanDerWaalsContact O-CB 3.31Å; H607-S611 WeakPolarHBondContact O-CB 3.29Å; H607-S611 PolarHBondContact O-N 3.06Å; H607-S611 PolarHBondContact O-OG 2.83Å; H607-N664 WeakPolarHBondContact CB-OD1 3.42Å; H607-H665 AromaticContact CE1-ND1 3.97Å
608	Q	87.3	Confident	88.7	Confident	150 Å²	150	68 Å²	68	70%	0.701	36%	0.362	S	S	*	.	H	α-helix	trans	-64.2	-45.7	178.5	-170.2	-179.2	16.8	0	0	111.6	H604 V606 S611 A612	H604-Q608 PolarHBondContact O-N 3.33Å; V606-Q608 VanDerWaalsContact C-N 3.32Å; V606-Q608 PolarHBondContact O-N 2.96Å; Q608-S611 PolarHBondContact O-N 3.1Å; Q608-A612 PolarHBondContact O-N 2.87Å
609	K	89.8	Confident	88.7	Confident	135 Å²	135	67.8 Å²	67.8	59%	0.587	36%	0.358	S	S	*	.	H	α-helix	trans	-60.8	-49.9	177.1	-72.5	170.2	-175.5	169.3	0	111.8	S605 V606 S611 A612 D613	S605-K609 WeakPolarHBondContact O-CG 3.23Å; S605-K609 PolarHBondContact O-N 2.84Å; V606-K609 PolarHBondContact O-N 2.99Å; K609-S611 VanDerWaalsContact C-N 3.26Å; K609-S611 PolarHBondContact O-N 3.3Å; K609-A612 PolarHBondContact O-N 2.86Å; K609-D613 PolarHBondContact O-N 2.87Å
610	L	88	Confident	88.8	Confident	27 Å²	27	67 Å²	67	14%	0.141	36%	0.358	C	S	.	.	H	α-helix	trans	-61.4	-36.1	178.3	-70.9	172.3	0	0	0	112	V606 M614 I660 R661	V606-L610 HydrophobicContact CG1-CD1 3.76Å; V606-L610 HydrophobicContact CG1-CG 4.26Å; V606-L610 WeakPolarHBondContact O-CB 3.48Å; V606-L610 WeakPolarHBondContact O-CG 3.5Å; V606-L610 PolarHBondContact O-N 2.77Å; L610-M614 WeakPolarHBondContact O-CB 3.46Å; L610-M614 WeakPolarHBondContact O-CG 3.38Å; L610-M614 PolarHBondContact O-N 2.89Å; L610-I660 HydrophobicContact CD1-CG2 3.82Å; L610-R661 HydrophobicContact CB-CB 4.42Å; L610-R661 HydrophobicContact CB-CG 4.33Å; L610-R661 HydrophobicContact CD1-CB 4.16Å
611	S	86.2	Confident	89	Confident	37 Å²	37	67.5 Å²	67.5	26%	0.259	36%	0.36	S	S	.	.	H	α-helix	trans	-68.5	-39.3	177.5	-62.7	0	0	0	0	112.3	H607 Q608 K609 A615	H607-S611 VanDerWaalsContact O-CB 3.31Å; H607-S611 WeakPolarHBondContact O-CB 3.29Å; H607-S611 PolarHBondContact O-N 3.06Å; H607-S611 PolarHBondContact O-OG 2.83Å; Q608-S611 PolarHBondContact O-N 3.1Å; K609-S611 VanDerWaalsContact C-N 3.26Å; K609-S611 PolarHBondContact O-N 3.3Å; S611-A615 WeakPolarHBondContact O-CB 3.44Å; S611-A615 PolarHBondContact O-N 3.08Å; S611-A615 VanDerWaalsContact O-N 3.09Å
612	A	89.8	Confident	89.2	Confident	53 Å²	53	71 Å²	71	44%	0.438	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-50.2	173	0	0	0	0	0	111.3	Q608 K609 M614 A615 D616	Q608-A612 PolarHBondContact O-N 2.87Å; K609-A612 PolarHBondContact O-N 2.86Å; A612-M614 VanDerWaalsContact C-N 3.33Å; A612-M614 PolarHBondContact O-N 2.91Å; A612-A615 WeakPolarHBondContact O-CB 3.29Å; A612-A615 PolarHBondContact O-N 3.19Å; A612-A615 VanDerWaalsContact O-N 3.09Å; A612-D616 PolarHBondContact O-N 3.01Å; A612-D616 VanDerWaalsContact O-N 3.09Å
613	D	89.5	Confident	89.4	Confident	87 Å²	87	69.2 Å²	69.2	47%	0.465	37%	0.368	S	S	.	.	H	α-helix	trans	-57.9	-46.1	178.6	-72.6	-14.3	0	0	0	111.2	K609 A615 D616 H617	K609-D613 PolarHBondContact O-N 2.87Å; D613-A615 VanDerWaalsContact C-N 3.3Å; D613-A615 PolarHBondContact O-N 2.83Å; D613-D616 PolarHBondContact O-N 2.85Å; D613-H617 PolarHBondContact O-N 2.81Å; D613-H617 PolarHBondContact O-ND1 2.86Å
614	M	86.4	Confident	89.6	Confident	20 Å²	20	67.8 Å²	67.8	10%	0.099	36%	0.363	C	S	.	.	H	α-helix	trans	-64.7	-32.3	178.7	-72.8	179.9	71.5	0	0	113.1	L610 A612 S618 L654 Y658 R661	L610-M614 WeakPolarHBondContact O-CB 3.46Å; L610-M614 WeakPolarHBondContact O-CG 3.38Å; L610-M614 PolarHBondContact O-N 2.89Å; A612-M614 VanDerWaalsContact C-N 3.33Å; A612-M614 PolarHBondContact O-N 2.91Å; M614-S618 WeakPolarHBondContact O-CB 3.23Å; M614-S618 PolarHBondContact O-N 3.09Å; M614-S618 PolarHBondContact O-OG 2.9Å; M614-L654 HydrophobicContact CE-CD2 3.9Å; M614-L654 HydrophobicContact CE-CG 4.46Å; M614-Y658 HydrophobicContact CE-CD2 4.05Å; M614-R661 HydrophobicContact SD-CB 4.25Å
615	A	88.6	Confident	90	Very high	47 Å²	47	68.1 Å²	68.1	39%	0.388	37%	0.367	S	S	.	.	H	α-helix	trans	-66.3	-42.3	174.8	0	0	0	0	0	111.1	S611 A612 D613 S618 N619	S611-A615 WeakPolarHBondContact O-CB 3.44Å; S611-A615 PolarHBondContact O-N 3.08Å; S611-A615 VanDerWaalsContact O-N 3.09Å; A612-A615 WeakPolarHBondContact O-CB 3.29Å; A612-A615 PolarHBondContact O-N 3.19Å; A612-A615 VanDerWaalsContact O-N 3.09Å; D613-A615 VanDerWaalsContact C-N 3.3Å; D613-A615 PolarHBondContact O-N 2.83Å; A615-S618 WeakPolarHBondContact O-CB 3.48Å; A615-S618 PolarHBondContact O-N 2.8Å; A615-N619 VanDerWaalsContact O-CG 3.3Å; A615-N619 PolarHBondContact O-N 2.84Å; A615-N619 PolarHBondContact O-ND2 3.45Å
616	D	90.6	Very high	90.2	Very high	105 Å²	105	71 Å²	71	56%	0.561	38%	0.382	S	S	*	.	H	α-helix	trans	-64.3	-45.4	176.1	-72.5	-20.8	0	0	0	111.9	A612 D613 S618 N619 L620	A612-D616 PolarHBondContact O-N 3.01Å; A612-D616 VanDerWaalsContact O-N 3.09Å; D613-D616 PolarHBondContact O-N 2.85Å; D616-S618 VanDerWaalsContact C-N 3.29Å; D616-S618 PolarHBondContact O-N 2.92Å; D616-N619 PolarHBondContact O-N 2.92Å; D616-L620 WeakPolarHBondContact O-CB 3.44Å; D616-L620 PolarHBondContact O-N 3.21Å
617	H	89.8	Confident	90.3	Very high	61 Å²	61	70 Å²	70	28%	0.282	38%	0.382	S	S	.	.	H	α-helix	trans	-60.5	-39.3	174.2	-71.9	76.3	0	0	0	111.5	D613 L620 I621 L654	D613-H617 PolarHBondContact O-N 2.81Å; D613-H617 PolarHBondContact O-ND1 2.86Å; H617-L620 PolarHBondContact O-N 3.35Å; H617-I621 VanDerWaalsContact O-CG1 3.27Å; H617-I621 WeakPolarHBondContact O-CG1 3.23Å; H617-I621 PolarHBondContact O-N 2.86Å; H617-L654 HydrophobicContact CB-CD1 4.24Å
618	S	88.6	Confident	90.6	Very high	39 Å²	39	67.6 Å²	67.6	27%	0.273	37%	0.371	S	S	.	.	H	α-helix	trans	-65.5	-40.5	177.1	-61.6	0	0	0	0	112.3	M614 A615 D616 I621 R622	M614-S618 WeakPolarHBondContact O-CB 3.23Å; M614-S618 PolarHBondContact O-N 3.09Å; M614-S618 PolarHBondContact O-OG 2.9Å; A615-S618 WeakPolarHBondContact O-CB 3.48Å; A615-S618 PolarHBondContact O-N 2.8Å; D616-S618 VanDerWaalsContact C-N 3.29Å; D616-S618 PolarHBondContact O-N 2.92Å; S618-I621 PolarHBondContact O-N 3.07Å; S618-R622 WeakPolarHBondContact O-CG 3.26Å; S618-R622 PolarHBondContact O-N 3.42Å
619	N	91.9	Very high	91	Very high	83 Å²	83	64 Å²	64	44%	0.444	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-41.5	175.3	-70.1	-28.9	0	0	0	111.2	A615 D616 R622 S623	A615-N619 VanDerWaalsContact O-CG 3.3Å; A615-N619 PolarHBondContact O-N 2.84Å; A615-N619 PolarHBondContact O-ND2 3.45Å; D616-N619 PolarHBondContact O-N 2.92Å; N619-R622 PolarHBondContact O-N 3.39Å; N619-R622 PolarHBondContact OD1-NH1 3.24Å; N619-S623 PolarHBondContact O-N 2.91Å
620	L	92.4	Very high	91.3	Very high	84 Å²	84	61.7 Å²	61.7	44%	0.44	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-43.8	175.8	-165.2	76	0	0	0	111.6	D616 H617 R622 S623 L624 L650	D616-L620 WeakPolarHBondContact O-CB 3.44Å; D616-L620 PolarHBondContact O-N 3.21Å; H617-L620 PolarHBondContact O-N 3.35Å; L620-R622 PolarHBondContact O-N 3.34Å; L620-S623 WeakPolarHBondContact O-CB 3.37Å; L620-S623 PolarHBondContact O-N 3.09Å; L620-L624 HydrophobicContact CG-CD1 4.2Å; L620-L624 WeakPolarHBondContact O-CB 3.22Å; L620-L624 WeakPolarHBondContact O-CG 3.39Å; L620-L624 PolarHBondContact O-N 2.79Å; L620-L650 HydrophobicContact CD2-CD1 3.39Å; L620-L650 HydrophobicContact CD2-CD2 3.62Å; L620-L650 HydrophobicContact CD2-CG 4.14Å; L620-L650 HydrophobicContact CG-CD1 3.99Å
621	I	92.8	Very high	91.5	Very high	22 Å²	22	60.6 Å²	60.6	11%	0.113	34%	0.343	C	S	.	.	H	α-helix	trans	-59	-46.1	175.1	-73.1	165.1	0	0	0	110.9	H617 S618 S623 L624 L625 L647 L650 L654	H617-I621 VanDerWaalsContact O-CG1 3.27Å; H617-I621 WeakPolarHBondContact O-CG1 3.23Å; H617-I621 PolarHBondContact O-N 2.86Å; S618-I621 PolarHBondContact O-N 3.07Å; I621-S623 VanDerWaalsContact C-N 3.33Å; I621-S623 PolarHBondContact O-N 2.99Å; I621-L624 PolarHBondContact O-N 2.94Å; I621-L625 HydrophobicContact CG2-CD1 3.92Å; I621-L625 HydrophobicContact CG2-CG 4.32Å; I621-L625 WeakPolarHBondContact O-CB 3.07Å; I621-L625 VanDerWaalsContact O-CG 3.29Å; I621-L625 WeakPolarHBondContact O-CG 3.48Å; I621-L625 PolarHBondContact O-N 2.81Å; I621-L647 HydrophobicContact CB-CD2 4.25Å; I621-L647 HydrophobicContact CG1-CD2 4.25Å; I621-L647 HydrophobicContact CG2-CD2 3.93Å; I621-L650 HydrophobicContact CD1-CB 4.48Å; I621-L650 HydrophobicContact CG1-CB 4.19Å; I621-L650 HydrophobicContact CG1-CD1 4.5Å; I621-L654 HydrophobicContact CD1-CD1 3.55Å
622	R	91.6	Very high	91.9	Very high	156 Å²	156	63.7 Å²	63.7	59%	0.589	35%	0.349	S	S	*	.	H	α-helix	trans	-59.6	-43.9	176.6	-69.7	-174.5	-144.2	125.9	6.8	111.6	S618 N619 L620 L625 V626	S618-R622 WeakPolarHBondContact O-CG 3.26Å; S618-R622 PolarHBondContact O-N 3.42Å; N619-R622 PolarHBondContact O-N 3.39Å; N619-R622 PolarHBondContact OD1-NH1 3.24Å; L620-R622 PolarHBondContact O-N 3.34Å; R622-L625 PolarHBondContact O-N 3.16Å; R622-V626 WeakPolarHBondContact O-CG2 3.41Å; R622-V626 PolarHBondContact O-N 2.94Å; R622-V626 VanDerWaalsContact O-N 3.17Å
623	S	93.9	Very high	92.2	Very high	80 Å²	80	66.6 Å²	66.6	56%	0.559	36%	0.357	S	S	*	.	H	α-helix	trans	-62.7	-42.8	176.8	-173.8	0	0	0	0	112.3	N619 L620 I621 V626 G627	N619-S623 PolarHBondContact O-N 2.91Å; L620-S623 WeakPolarHBondContact O-CB 3.37Å; L620-S623 PolarHBondContact O-N 3.09Å; I621-S623 VanDerWaalsContact C-N 3.33Å; I621-S623 PolarHBondContact O-N 2.99Å; S623-V626 PolarHBondContact O-N 2.94Å; S623-G627 PolarHBondContact O-N 3.3Å
624	L	93.3	Very high	92.4	Very high	13 Å²	13	68.3 Å²	68.3	7%	0.068	36%	0.363	C	S	.	.	H	α-helix	trans	-70.1	-33.7	179.6	-73.2	172	0	0	0	112.5	L620 I621 G627 A628 E646 L647 L650	L620-L624 HydrophobicContact CG-CD1 4.2Å; L620-L624 WeakPolarHBondContact O-CB 3.22Å; L620-L624 WeakPolarHBondContact O-CG 3.39Å; L620-L624 PolarHBondContact O-N 2.79Å; I621-L624 PolarHBondContact O-N 2.94Å; L624-G627 PolarHBondContact O-N 3Å; L624-A628 VanDerWaalsContact O-CB 3.26Å; L624-A628 WeakPolarHBondContact O-CB 3.38Å; L624-A628 PolarHBondContact O-N 3.44Å; L624-E646 HydrophobicContact CD1-CB 4.14Å; L624-E646 VanDerWaalsContact CD2-OE2 3.24Å; L624-E646 WeakPolarHBondContact CD2-OE2 3.48Å; L624-L647 HydrophobicContact CB-CD1 4.44Å; L624-L647 HydrophobicContact CB-CD2 3.6Å; L624-L647 HydrophobicContact CB-CG 3.86Å; L624-L647 HydrophobicContact CD1-CD2 4.19Å; L624-L647 HydrophobicContact CD1-CG 4.41Å; L624-L650 HydrophobicContact CD1-CD1 3.2Å
625	L	93.9	Very high	92.7	Very high	87 Å²	87	77.2 Å²	77.2	46%	0.455	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-44.9	172.7	-75.9	170.1	0	0	0	111.3	I621 R622 A628 E629 L647	I621-L625 HydrophobicContact CG2-CD1 3.92Å; I621-L625 HydrophobicContact CG2-CG 4.32Å; I621-L625 WeakPolarHBondContact O-CB 3.07Å; I621-L625 VanDerWaalsContact O-CG 3.29Å; I621-L625 WeakPolarHBondContact O-CG 3.48Å; I621-L625 PolarHBondContact O-N 2.81Å; R622-L625 PolarHBondContact O-N 3.16Å; L625-A628 PolarHBondContact O-N 2.98Å; L625-E629 WeakPolarHBondContact O-CB 3.32Å; L625-E629 PolarHBondContact O-N 2.89Å; L625-L647 HydrophobicContact CD2-CD1 3.82Å; L625-L647 HydrophobicContact CD2-CD2 4.48Å; L625-L647 HydrophobicContact CG-CD1 4.28Å; L625-L647 HydrophobicContact CG-CD2 4.22Å
626	V	94.4	Very high	93	Very high	105 Å²	105	78.1 Å²	78.1	64%	0.636	39%	0.394	S	S	*	.	H	α-helix	trans	-61.7	-45	174.9	175.3	0	0	0	0	110.6	R622 S623 E629 D630	R622-V626 WeakPolarHBondContact O-CG2 3.41Å; R622-V626 PolarHBondContact O-N 2.94Å; R622-V626 VanDerWaalsContact O-N 3.17Å; S623-V626 PolarHBondContact O-N 2.94Å; V626-E629 PolarHBondContact O-N 3.25Å; V626-D630 WeakPolarHBondContact O-CB 3.26Å; V626-D630 PolarHBondContact O-N 3.49Å
627	G	91.8	Very high	93	Very high	27 Å²	27	78 Å²	78	28%	0.278	39%	0.391	S	S	.	.	H	α-helix	trans	-66.4	-35.3	178	0	0	0	0	0	114.2	S623 L624 A631	S623-G627 PolarHBondContact O-N 3.3Å; L624-G627 PolarHBondContact O-N 3Å; G627-A631 WeakPolarHBondContact O-CB 3.36Å; G627-A631 PolarHBondContact O-N 2.96Å; G627-A631 VanDerWaalsContact O-N 3.1Å
628	A	93.1	Very high	93.2	Very high	1 Å²	1	83.6 Å²	83.6	1%	0.008	42%	0.415	C	S	.	.	H	α-helix	trans	-68.9	-39.6	175.2	0	0	0	0	0	111.4	L624 L625 R632 R643 Y644	L624-A628 VanDerWaalsContact O-CB 3.26Å; L624-A628 WeakPolarHBondContact O-CB 3.38Å; L624-A628 PolarHBondContact O-N 3.44Å; L625-A628 PolarHBondContact O-N 2.98Å; A628-R632 WeakPolarHBondContact O-CB 2.98Å; A628-R632 PolarHBondContact O-N 3.32Å; A628-R643 HydrophobicContact CB-CB 3.84Å; A628-Y644 HydrophobicContact CB-CE2 4.24Å
629	E	94.2	Very high	93.4	Very high	75 Å²	75	84.4 Å²	84.4	35%	0.35	42%	0.418	S	S	.	.	H	α-helix	trans	-68	-40.6	177.3	-174.2	58.6	-163.5	0	0	111.7	L625 V626 R632 L633	L625-E629 WeakPolarHBondContact O-CB 3.32Å; L625-E629 PolarHBondContact O-N 2.89Å; V626-E629 PolarHBondContact O-N 3.25Å; E629-R632 VanDerWaalsContact CD-NE 3.32Å; E629-R632 WeakPolarHBondContact O-CB 3.15Å; E629-R632 PolarHBondContact O-N 2.84Å; E629-R632 IonicContact OE1-CZ 2.87Å; E629-R632 VanDerWaalsContact OE1-CZ 3.29Å; E629-R632 IonicContact OE1-NE 3.93Å; E629-R632 PolarHBondContact OE1-NE 3.21Å; E629-R632 VanDerWaalsContact OE1-NE 3.09Å; E629-R632 IonicContact OE1-NH2 3.09Å; E629-R632 PolarHBondContact OE1-NH2 3.42Å; E629-R632 IonicContact OE2-CZ 2.95Å; E629-R632 IonicContact OE2-NE 3.83Å; E629-R632 PolarHBondContact OE2-NE 2.97Å; E629-R632 IonicContact OE2-NH2 3.98Å; E629-L633 VanDerWaalsContact O-CG 3.32Å; E629-L633 WeakPolarHBondContact O-CG 3.37Å; E629-L633 PolarHBondContact O-N 3.21Å
630	D	95.5	Very high	93.5	Very high	86 Å²	86	82 Å²	82	46%	0.46	41%	0.405	S	S	.	.	H	α-helix	trans	-61.4	-46.9	174	-173.4	42.9	0	0	0	111.9	V626 R632 L633 M634	V626-D630 WeakPolarHBondContact O-CB 3.26Å; V626-D630 PolarHBondContact O-N 3.49Å; D630-R632 VanDerWaalsContact C-N 3.29Å; D630-R632 PolarHBondContact O-N 2.95Å; D630-L633 PolarHBondContact O-N 3.47Å; D630-L633 VanDerWaalsContact O-N 3.16Å; D630-M634 PolarHBondContact O-N 2.69Å; D630-M634 WeakPolarHBondContact OD2-CE 3.5Å
631	A	93.3	Very high	93.5	Very high	4 Å²	4	84.9 Å²	84.9	3%	0.033	41%	0.414	C	S	.	.	H	α-helix	trans	-59.8	-38.6	173.8	0	0	0	0	0	112.6	G627 M634 R635 D636 T639 M640	G627-A631 WeakPolarHBondContact O-CB 3.36Å; G627-A631 PolarHBondContact O-N 2.96Å; G627-A631 VanDerWaalsContact O-N 3.1Å; A631-M634 PolarHBondContact O-N 3.31Å; A631-R635 PolarHBondContact O-N 2.8Å; A631-R635 VanDerWaalsContact O-N 3.09Å; A631-D636 PolarHBondContact O-N 3.37Å; A631-T639 WeakPolarHBondContact CB-OG1 3.31Å; A631-M640 HydrophobicContact CB-CB 4.09Å
632	R	94.6	Very high	93.6	Very high	103 Å²	103	86.6 Å²	86.6	39%	0.389	43%	0.427	S	S	.	.	H	α-helix	trans	-63.8	-43.6	175	-169.9	-166.6	74.9	73.1	2.2	111.4	A628 E629 D630 R635 M640	A628-R632 WeakPolarHBondContact O-CB 2.98Å; A628-R632 PolarHBondContact O-N 3.32Å; E629-R632 VanDerWaalsContact CD-NE 3.32Å; E629-R632 WeakPolarHBondContact O-CB 3.15Å; E629-R632 PolarHBondContact O-N 2.84Å; E629-R632 IonicContact OE1-CZ 2.87Å; E629-R632 VanDerWaalsContact OE1-CZ 3.29Å; E629-R632 IonicContact OE1-NE 3.93Å; E629-R632 PolarHBondContact OE1-NE 3.21Å; E629-R632 VanDerWaalsContact OE1-NE 3.09Å; E629-R632 IonicContact OE1-NH2 3.09Å; E629-R632 PolarHBondContact OE1-NH2 3.42Å; E629-R632 IonicContact OE2-CZ 2.95Å; E629-R632 IonicContact OE2-NE 3.83Å; E629-R632 PolarHBondContact OE2-NE 2.97Å; E629-R632 IonicContact OE2-NH2 3.98Å; D630-R632 VanDerWaalsContact C-N 3.29Å; D630-R632 PolarHBondContact O-N 2.95Å; R632-R635 PolarHBondContact O-N 2.91Å; R632-R635 VanDerWaalsContact O-N 3.15Å; R632-M640 HydrophobicContact CB-CE 4.11Å; R632-M640 HydrophobicContact CB-CG 4.47Å; R632-M640 HydrophobicContact CB-SD 3.95Å; R632-M640 HydrophobicContact CG-CE 3.73Å; R632-M640 HydrophobicContact CG-SD 3.91Å
633	L	95.3	Very high	93.6	Very high	114 Å²	114	83.9 Å²	83.9	60%	0.597	42%	0.417	S	S	*	.	H	α-helix	trans	-64.2	-39.1	177.2	-70.9	171.8	0	0	0	111.8	E629 D630 R635	E629-L633 VanDerWaalsContact O-CG 3.32Å; E629-L633 WeakPolarHBondContact O-CG 3.37Å; E629-L633 PolarHBondContact O-N 3.21Å; D630-L633 PolarHBondContact O-N 3.47Å; D630-L633 VanDerWaalsContact O-N 3.16Å; L633-R635 PolarHBondContact O-N 3.22Å
634	M	94	Very high	93.6	Very high	122 Å²	122	85.1 Å²	85.1	60%	0.601	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.5	174.7	-67.9	-171.4	-74.5	0	0	114.2	D630 A631 D636	D630-M634 PolarHBondContact O-N 2.69Å; D630-M634 WeakPolarHBondContact OD2-CE 3.5Å; A631-M634 PolarHBondContact O-N 3.31Å; M634-D636 PolarHBondContact O-N 3.02Å
635	R	93.3	Very high	93.6	Very high	207 Å²	207	90.8 Å²	90.8	78%	0.781	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	22.6	-174.6	-55.6	-178	175	-173.7	-1.6	114.3	A631 R632 L633 M637	A631-R635 PolarHBondContact O-N 2.8Å; A631-R635 VanDerWaalsContact O-N 3.09Å; R632-R635 PolarHBondContact O-N 2.91Å; R632-R635 VanDerWaalsContact O-N 3.15Å; L633-R635 PolarHBondContact O-N 3.22Å; R635-M637 PolarHBondContact O-N 3.47Å; R635-M637 VanDerWaalsContact O-N 3.07Å
636	D	94.6	Very high	93.6	Very high	66 Å²	66	89.8 Å²	89.8	35%	0.353	43%	0.431	S	S	.	.			trans	-81.5	86.8	172.3	-177.2	3	0	0	0	110.2	A631 M634 K638 T639 M640	A631-D636 PolarHBondContact O-N 3.37Å; M634-D636 PolarHBondContact O-N 3.02Å; D636-K638 PolarHBondContact O-N 2.74Å; D636-K638 PolarHBondContact OD1-N 3.45Å; D636-T639 WeakPolarHBondContact CB-OG1 3.27Å; D636-T639 PolarHBondContact O-OG1 2.89Å; D636-T639 PolarHBondContact OD1-N 2.94Å; D636-T639 PolarHBondContact OD1-OG1 3.47Å; D636-T639 WeakPolarHBondContact OD2-CB 3.02Å; D636-T639 WeakPolarHBondContact OD2-CG2 3.47Å; D636-T639 PolarHBondContact OD2-OG1 2.83Å; D636-M640 VanDerWaalsContact O-CB 3.31Å; D636-M640 WeakPolarHBondContact O-CB 3.16Å; D636-M640 PolarHBondContact O-N 2.82Å
637	M	90.8	Very high	93.6	Very high	102 Å²	102	85.1 Å²	85.1	50%	0.502	40%	0.403	S	S	.	.	H	α-helix	trans	-66.3	-20.5	-176.8	-63	-64.1	161.4	0	0	113.3	R635 M640 K641	R635-M637 PolarHBondContact O-N 3.47Å; R635-M637 VanDerWaalsContact O-N 3.07Å; M637-M640 HydrophobicContact SD-SD 3.95Å; M637-K641 WeakPolarHBondContact O-CB 3.34Å; M637-K641 VanDerWaalsContact O-CG 3.24Å; M637-K641 WeakPolarHBondContact O-CG 3.36Å; M637-K641 PolarHBondContact O-N 3.45Å
638	K	93.8	Very high	93.7	Very high	179 Å²	179	91.5 Å²	91.5	78%	0.778	42%	0.419	S	S	*	.	H	α-helix	trans	-78.2	-48.7	-177.8	-170.4	179.5	179	-175.5	0	110.1	D636 K641 S642	D636-K638 PolarHBondContact O-N 2.74Å; D636-K638 PolarHBondContact OD1-N 3.45Å; K638-K641 PolarHBondContact O-N 2.86Å; K638-S642 PolarHBondContact O-N 3.1Å; K638-S642 VanDerWaalsContact O-N 3.1Å
639	T	92.6	Very high	93.7	Very high	56 Å²	56	94.9 Å²	94.9	34%	0.344	44%	0.437	S	S	.	.	H	α-helix	trans	-68.1	-39.8	175.8	53.4	0	0	0	0	111.1	A631 D636 K641 S642 R643	A631-T639 WeakPolarHBondContact CB-OG1 3.31Å; D636-T639 WeakPolarHBondContact CB-OG1 3.27Å; D636-T639 PolarHBondContact O-OG1 2.89Å; D636-T639 PolarHBondContact OD1-N 2.94Å; D636-T639 PolarHBondContact OD1-OG1 3.47Å; D636-T639 WeakPolarHBondContact OD2-CB 3.02Å; D636-T639 WeakPolarHBondContact OD2-CG2 3.47Å; D636-T639 PolarHBondContact OD2-OG1 2.83Å; T639-K641 PolarHBondContact O-N 2.5Å; T639-S642 WeakPolarHBondContact O-CB 3.36Å; T639-S642 PolarHBondContact O-N 3.01Å; T639-S642 VanDerWaalsContact O-N 3.16Å; T639-R643 WeakPolarHBondContact O-CG 3.48Å; T639-R643 PolarHBondContact O-N 2.55Å
640	M	93.6	Very high	93.7	Very high	34 Å²	34	92.5 Å²	92.5	17%	0.167	43%	0.427	C	S	.	.	H	α-helix	trans	-53.4	-52	173.4	-176.5	-170.6	177.4	0	0	111.5	A631 R632 D636 M637 S642 R643 Y644	A631-M640 HydrophobicContact CB-CB 4.09Å; R632-M640 HydrophobicContact CB-CE 4.11Å; R632-M640 HydrophobicContact CB-CG 4.47Å; R632-M640 HydrophobicContact CB-SD 3.95Å; R632-M640 HydrophobicContact CG-CE 3.73Å; R632-M640 HydrophobicContact CG-SD 3.91Å; D636-M640 VanDerWaalsContact O-CB 3.31Å; D636-M640 WeakPolarHBondContact O-CB 3.16Å; D636-M640 PolarHBondContact O-N 2.82Å; M637-M640 HydrophobicContact SD-SD 3.95Å; M640-S642 VanDerWaalsContact C-N 3.34Å; M640-S642 PolarHBondContact O-N 2.8Å; M640-R643 PolarHBondContact O-N 3.07Å; M640-Y644 HydrophobicContact CE-CD2 4.29Å; M640-Y644 HydrophobicContact CE-CE2 3.44Å; M640-Y644 VanDerWaalsContact CE-CE2 3.44Å; M640-Y644 HydrophobicContact CG-CD2 3.82Å; M640-Y644 HydrophobicContact CG-CE2 3.57Å; M640-Y644 WeakPolarHBondContact O-CD2 3.45Å; M640-Y644 PolarHBondContact O-N 3.5Å; M640-Y644 HydrophobicContact SD-CE2 4.34Å
641	K	93.1	Very high	93.5	Very high	144 Å²	144	92.1 Å²	92.1	63%	0.626	43%	0.425	S	S	*	.	H	α-helix	trans	-61.9	-39.5	178.1	-75.6	176.5	-178.5	-176.2	0	112.9	M637 K638 T639 Y644 M645	M637-K641 WeakPolarHBondContact O-CB 3.34Å; M637-K641 VanDerWaalsContact O-CG 3.24Å; M637-K641 WeakPolarHBondContact O-CG 3.36Å; M637-K641 PolarHBondContact O-N 3.45Å; K638-K641 PolarHBondContact O-N 2.86Å; T639-K641 PolarHBondContact O-N 2.5Å; K641-Y644 PolarHBondContact O-N 2.96Å; K641-M645 WeakPolarHBondContact O-CG 3.49Å; K641-M645 PolarHBondContact O-N 2.77Å
642	S	94	Very high	93.5	Very high	57 Å²	57	97.8 Å²	97.8	40%	0.399	45%	0.445	S	S	.	.	H	α-helix	trans	-59.8	-47.1	175.2	-164.8	0	0	0	0	111.3	K638 T639 M640 Y644 M645 E646	K638-S642 PolarHBondContact O-N 3.1Å; K638-S642 VanDerWaalsContact O-N 3.1Å; T639-S642 WeakPolarHBondContact O-CB 3.36Å; T639-S642 PolarHBondContact O-N 3.01Å; T639-S642 VanDerWaalsContact O-N 3.16Å; M640-S642 VanDerWaalsContact C-N 3.34Å; M640-S642 PolarHBondContact O-N 2.8Å; S642-Y644 VanDerWaalsContact C-N 3.34Å; S642-Y644 PolarHBondContact O-N 3.01Å; S642-M645 WeakPolarHBondContact O-CB 3.36Å; S642-M645 PolarHBondContact O-N 3.23Å; S642-M645 VanDerWaalsContact O-N 3.15Å; S642-E646 WeakPolarHBondContact O-CG 3.25Å; S642-E646 PolarHBondContact O-N 3.04Å; S642-E646 PolarHBondContact OG-OE1 2.93Å
643	R	91.9	Very high	93.3	Very high	100 Å²	100	96.4 Å²	96.4	38%	0.377	45%	0.445	S	S	.	.	H	α-helix	trans	-64.2	-37	178.5	-63.7	-59.8	-177.4	-165.5	3.2	112.5	A628 T639 M640 E646 L647	A628-R643 HydrophobicContact CB-CB 3.84Å; T639-R643 WeakPolarHBondContact O-CG 3.48Å; T639-R643 PolarHBondContact O-N 2.55Å; M640-R643 PolarHBondContact O-N 3.07Å; R643-E646 IonicContact CZ-OE2 3.29Å; R643-E646 IonicContact NH1-OE1 2.74Å; R643-E646 IonicContact NH1-OE2 2.79Å; R643-E646 PolarHBondContact NH1-OE2 2.88Å; R643-E646 PolarHBondContact O-N 3.16Å; R643-L647 WeakPolarHBondContact O-CB 3.46Å; R643-L647 VanDerWaalsContact O-CG 3.27Å; R643-L647 WeakPolarHBondContact O-CG 3.28Å; R643-L647 PolarHBondContact O-N 3.13Å
644	Y	94.1	Very high	93	Very high	106 Å²	106	92.7 Å²	92.7	42%	0.416	43%	0.426	S	S	.	.	H	α-helix	trans	-68.9	-33.1	173.3	-79.9	-67.9	0	0	0	113.6	A628 M640 K641 S642 L647 Y648	A628-Y644 HydrophobicContact CB-CE2 4.24Å; M640-Y644 HydrophobicContact CE-CD2 4.29Å; M640-Y644 HydrophobicContact CE-CE2 3.44Å; M640-Y644 VanDerWaalsContact CE-CE2 3.44Å; M640-Y644 HydrophobicContact CG-CD2 3.82Å; M640-Y644 HydrophobicContact CG-CE2 3.57Å; M640-Y644 WeakPolarHBondContact O-CD2 3.45Å; M640-Y644 PolarHBondContact O-N 3.5Å; M640-Y644 HydrophobicContact SD-CE2 4.34Å; K641-Y644 PolarHBondContact O-N 2.96Å; S642-Y644 VanDerWaalsContact C-N 3.34Å; S642-Y644 PolarHBondContact O-N 3.01Å; Y644-L647 HydrophobicContact CD1-CD1 4.11Å; Y644-L647 HydrophobicContact CE1-CD1 4.39Å; Y644-Y648 WeakPolarHBondContact O-CB 3.36Å; Y644-Y648 PolarHBondContact O-N 3.03Å
645	M	93.9	Very high	92.7	Very high	131 Å²	131	91.8 Å²	91.8	65%	0.645	42%	0.423	S	S	*	.	H	α-helix	trans	-65.6	-46.2	171.9	-72.6	177.2	177.9	0	0	110.9	K641 S642 L647 Y648 D649	K641-M645 WeakPolarHBondContact O-CG 3.49Å; K641-M645 PolarHBondContact O-N 2.77Å; S642-M645 WeakPolarHBondContact O-CB 3.36Å; S642-M645 PolarHBondContact O-N 3.23Å; S642-M645 VanDerWaalsContact O-N 3.15Å; M645-L647 VanDerWaalsContact C-N 3.34Å; M645-L647 PolarHBondContact O-N 3.26Å; M645-Y648 WeakPolarHBondContact O-CB 3.41Å; M645-Y648 PolarHBondContact O-N 3.09Å; M645-Y648 VanDerWaalsContact O-N 3.1Å; M645-D649 PolarHBondContact O-N 2.83Å
646	E	93.7	Very high	92.6	Very high	67 Å²	67	85.5 Å²	85.5	31%	0.313	41%	0.405	S	S	.	.	H	α-helix	trans	-58.9	-44.1	174.4	-70.6	164.4	-148.7	0	0	111.6	L624 S642 R643 Y648 D649 L650	L624-E646 HydrophobicContact CD1-CB 4.14Å; L624-E646 VanDerWaalsContact CD2-OE2 3.24Å; L624-E646 WeakPolarHBondContact CD2-OE2 3.48Å; S642-E646 WeakPolarHBondContact O-CG 3.25Å; S642-E646 PolarHBondContact O-N 3.04Å; S642-E646 PolarHBondContact OG-OE1 2.93Å; R643-E646 IonicContact CZ-OE2 3.29Å; R643-E646 IonicContact NH1-OE1 2.74Å; R643-E646 IonicContact NH1-OE2 2.79Å; R643-E646 PolarHBondContact NH1-OE2 2.88Å; R643-E646 PolarHBondContact O-N 3.16Å; E646-Y648 VanDerWaalsContact C-N 3.31Å; E646-Y648 PolarHBondContact O-N 2.8Å; E646-D649 PolarHBondContact O-N 2.87Å; E646-L650 WeakPolarHBondContact O-CB 3.45Å; E646-L650 VanDerWaalsContact O-CG 3.29Å; E646-L650 WeakPolarHBondContact O-CG 3.46Å; E646-L650 PolarHBondContact O-N 3.34Å
647	L	94.3	Very high	92.2	Very high	7 Å²	7	83 Å²	83	4%	0.037	40%	0.395	C	S	.	.	H	α-helix	trans	-62	-37.3	174.3	-77.8	170.3	0	0	0	112.6	I621 L624 L625 R643 Y644 M645 N651	I621-L647 HydrophobicContact CB-CD2 4.25Å; I621-L647 HydrophobicContact CG1-CD2 4.25Å; I621-L647 HydrophobicContact CG2-CD2 3.93Å; L624-L647 HydrophobicContact CB-CD1 4.44Å; L624-L647 HydrophobicContact CB-CD2 3.6Å; L624-L647 HydrophobicContact CB-CG 3.86Å; L624-L647 HydrophobicContact CD1-CD2 4.19Å; L624-L647 HydrophobicContact CD1-CG 4.41Å; L625-L647 HydrophobicContact CD2-CD1 3.82Å; L625-L647 HydrophobicContact CD2-CD2 4.48Å; L625-L647 HydrophobicContact CG-CD1 4.28Å; L625-L647 HydrophobicContact CG-CD2 4.22Å; R643-L647 WeakPolarHBondContact O-CB 3.46Å; R643-L647 VanDerWaalsContact O-CG 3.27Å; R643-L647 WeakPolarHBondContact O-CG 3.28Å; R643-L647 PolarHBondContact O-N 3.13Å; Y644-L647 HydrophobicContact CD1-CD1 4.11Å; Y644-L647 HydrophobicContact CE1-CD1 4.39Å; M645-L647 VanDerWaalsContact C-N 3.34Å; M645-L647 PolarHBondContact O-N 3.26Å; L647-N651 VanDerWaalsContact O-CB 3.26Å; L647-N651 WeakPolarHBondContact O-CB 3.43Å; L647-N651 VanDerWaalsContact O-CG 3.25Å; L647-N651 PolarHBondContact O-N 3.2Å; L647-N651 PolarHBondContact O-ND2 3.32Å; L647-N651 VanDerWaalsContact O-ND2 3.12Å
648	Y	94.1	Very high	91.9	Very high	161 Å²	161	84 Å²	84	63%	0.631	39%	0.394	S	S	*	.	H	α-helix	trans	-66.2	-46	178.2	-179.7	-93.1	0	0	0	111.4	Y644 M645 E646 N651 R652	Y644-Y648 WeakPolarHBondContact O-CB 3.36Å; Y644-Y648 PolarHBondContact O-N 3.03Å; M645-Y648 WeakPolarHBondContact O-CB 3.41Å; M645-Y648 PolarHBondContact O-N 3.09Å; M645-Y648 VanDerWaalsContact O-N 3.1Å; E646-Y648 VanDerWaalsContact C-N 3.31Å; E646-Y648 PolarHBondContact O-N 2.8Å; Y648-N651 PolarHBondContact O-N 2.96Å; Y648-R652 PolarHBondContact O-N 2.96Å
649	D	93.8	Very high	91.7	Very high	72 Å²	72	81.9 Å²	81.9	39%	0.385	39%	0.385	S	S	.	.	H	α-helix	trans	-63.5	-46.1	177.8	-71.2	-32.5	0	0	0	111	M645 E646 N651 R652 D653	M645-D649 PolarHBondContact O-N 2.83Å; E646-D649 PolarHBondContact O-N 2.87Å; D649-N651 PolarHBondContact O-N 3.32Å; D649-R652 WeakPolarHBondContact O-CB 3.24Å; D649-R652 PolarHBondContact O-N 2.83Å; D649-R652 IonicContact OD1-NH2 2.74Å; D649-D653 PolarHBondContact O-N 3.36Å
650	L	93.1	Very high	91.5	Very high	24 Å²	24	83.9 Å²	83.9	13%	0.126	39%	0.392	C	S	.	.	H	α-helix	trans	-63.6	-38.3	176.7	-71.8	167.2	0	0	0	113.2	L620 I621 L624 E646 R652 D653 L654	L620-L650 HydrophobicContact CD2-CD1 3.39Å; L620-L650 HydrophobicContact CD2-CD2 3.62Å; L620-L650 HydrophobicContact CD2-CG 4.14Å; L620-L650 HydrophobicContact CG-CD1 3.99Å; I621-L650 HydrophobicContact CD1-CB 4.48Å; I621-L650 HydrophobicContact CG1-CB 4.19Å; I621-L650 HydrophobicContact CG1-CD1 4.5Å; L624-L650 HydrophobicContact CD1-CD1 3.2Å; E646-L650 WeakPolarHBondContact O-CB 3.45Å; E646-L650 VanDerWaalsContact O-CG 3.29Å; E646-L650 WeakPolarHBondContact O-CG 3.46Å; E646-L650 PolarHBondContact O-N 3.34Å; L650-R652 VanDerWaalsContact C-N 3.34Å; L650-D653 PolarHBondContact O-N 3Å; L650-L654 VanDerWaalsContact O-CB 3.27Å; L650-L654 WeakPolarHBondContact O-CB 3.45Å; L650-L654 PolarHBondContact O-N 3.46Å
651	N	92.1	Very high	91.1	Very high	78 Å²	78	85.9 Å²	85.9	42%	0.417	40%	0.398	S	S	.	.	H	α-helix	trans	-64.9	-39.5	175	-83.4	-33.8	0	0	0	111.5	L647 Y648 D649 D653 L654 L655	L647-N651 VanDerWaalsContact O-CB 3.26Å; L647-N651 WeakPolarHBondContact O-CB 3.43Å; L647-N651 VanDerWaalsContact O-CG 3.25Å; L647-N651 PolarHBondContact O-N 3.2Å; L647-N651 PolarHBondContact O-ND2 3.32Å; L647-N651 VanDerWaalsContact O-ND2 3.12Å; Y648-N651 PolarHBondContact O-N 2.96Å; D649-N651 PolarHBondContact O-N 3.32Å; N651-D653 VanDerWaalsContact C-N 3.34Å; N651-L654 PolarHBondContact O-N 3.39Å; N651-L655 WeakPolarHBondContact O-CB 3.31Å; N651-L655 VanDerWaalsContact O-CG 3.22Å; N651-L655 WeakPolarHBondContact O-CG 3.48Å; N651-L655 PolarHBondContact O-N 2.79Å
652	R	92.5	Very high	90.6	Very high	124 Å²	124	81.2 Å²	81.2	47%	0.468	38%	0.384	S	S	.	.	H	α-helix	trans	-63.1	-43.4	175.9	-171.5	-177.1	68.3	-158.3	-7.3	111	Y648 D649 L650 L655 N656	Y648-R652 PolarHBondContact O-N 2.96Å; D649-R652 WeakPolarHBondContact O-CB 3.24Å; D649-R652 PolarHBondContact O-N 2.83Å; D649-R652 IonicContact OD1-NH2 2.74Å; L650-R652 VanDerWaalsContact C-N 3.34Å; R652-L655 PolarHBondContact O-N 3.49Å; R652-N656 VanDerWaalsContact O-CG 3.29Å; R652-N656 PolarHBondContact O-N 3.06Å; R652-N656 PolarHBondContact O-ND2 3.35Å
653	D	90.6	Very high	90.4	Very high	73 Å²	73	83.4 Å²	83.4	39%	0.39	39%	0.391	S	S	.	.	H	α-helix	trans	-68.8	-40.3	179.8	-67	-10.3	0	0	0	111.4	D649 L650 N651 L655 N656 G657	D649-D653 PolarHBondContact O-N 3.36Å; L650-D653 PolarHBondContact O-N 3Å; N651-D653 VanDerWaalsContact C-N 3.34Å; D653-L655 PolarHBondContact O-N 3.35Å; D653-N656 WeakPolarHBondContact O-CB 3.01Å; D653-N656 PolarHBondContact O-N 3.25Å; D653-G657 PolarHBondContact O-N 3.39Å
654	L	89.1	Confident	90.3	Very high	36 Å²	36	79.2 Å²	79.2	19%	0.188	38%	0.376	C	S	.	.	H	α-helix	trans	-63.3	-41	174	-163.5	161.9	0	0	0	111.5	M614 H617 I621 L650 N651 N656 G657 Y658	M614-L654 HydrophobicContact CE-CD2 3.9Å; M614-L654 HydrophobicContact CE-CG 4.46Å; H617-L654 HydrophobicContact CB-CD1 4.24Å; I621-L654 HydrophobicContact CD1-CD1 3.55Å; L650-L654 VanDerWaalsContact O-CB 3.27Å; L650-L654 WeakPolarHBondContact O-CB 3.45Å; L650-L654 PolarHBondContact O-N 3.46Å; N651-L654 PolarHBondContact O-N 3.39Å; L654-N656 VanDerWaalsContact C-N 3.33Å; L654-N656 PolarHBondContact O-N 3.37Å; L654-G657 PolarHBondContact O-N 2.96Å; L654-Y658 VanDerWaalsContact O-CB 3.32Å; L654-Y658 WeakPolarHBondContact O-CB 3.4Å; L654-Y658 PolarHBondContact O-N 3.16Å
655	L	88.3	Confident	89.8	Confident	103 Å²	103	76.4 Å²	76.4	54%	0.539	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-38.6	175	-75.5	171.6	0	0	0	112.2	N651 R652 D653 Y658 K659	N651-L655 WeakPolarHBondContact O-CB 3.31Å; N651-L655 VanDerWaalsContact O-CG 3.22Å; N651-L655 WeakPolarHBondContact O-CG 3.48Å; N651-L655 PolarHBondContact O-N 2.79Å; R652-L655 PolarHBondContact O-N 3.49Å; D653-L655 PolarHBondContact O-N 3.35Å; L655-Y658 PolarHBondContact O-N 2.93Å; L655-K659 WeakPolarHBondContact O-CG 3.47Å; L655-K659 PolarHBondContact O-N 2.64Å
656	N	90.4	Very high	89.5	Confident	76 Å²	76	74.4 Å²	74.4	41%	0.406	36%	0.362	S	S	.	.	H	α-helix	trans	-65.7	-47	174.3	-69	-25.1	0	0	0	110.8	R652 D653 L654 Y658 K659 I660	R652-N656 VanDerWaalsContact O-CG 3.29Å; R652-N656 PolarHBondContact O-N 3.06Å; R652-N656 PolarHBondContact O-ND2 3.35Å; D653-N656 WeakPolarHBondContact O-CB 3.01Å; D653-N656 PolarHBondContact O-N 3.25Å; L654-N656 VanDerWaalsContact C-N 3.33Å; L654-N656 PolarHBondContact O-N 3.37Å; N656-Y658 VanDerWaalsContact C-N 3.31Å; N656-Y658 PolarHBondContact O-N 3.2Å; N656-K659 PolarHBondContact O-N 2.86Å; N656-I660 WeakPolarHBondContact O-CG1 3.25Å; N656-I660 PolarHBondContact O-N 3.05Å
657	G	87.6	Confident	89.3	Confident	14 Å²	14	75.8 Å²	75.8	14%	0.144	37%	0.368	C	S	.	.	H	α-helix	trans	-58.4	-41.1	174.1	0	0	0	0	0	112.6	D653 L654 I660 R661	D653-G657 PolarHBondContact O-N 3.39Å; L654-G657 PolarHBondContact O-N 2.96Å; G657-I660 PolarHBondContact O-N 2.82Å; G657-R661 WeakPolarHBondContact O-CB 3.41Å; G657-R661 PolarHBondContact O-N 2.7Å
658	Y	84.3	Confident	89	Confident	123 Å²	123	75.8 Å²	75.8	48%	0.482	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-44.3	176.4	179.4	-92.2	0	0	0	112	M614 L654 L655 N656 I660 R661 S662	M614-Y658 HydrophobicContact CE-CD2 4.05Å; L654-Y658 VanDerWaalsContact O-CB 3.32Å; L654-Y658 WeakPolarHBondContact O-CB 3.4Å; L654-Y658 PolarHBondContact O-N 3.16Å; L655-Y658 PolarHBondContact O-N 2.93Å; N656-Y658 VanDerWaalsContact C-N 3.31Å; N656-Y658 PolarHBondContact O-N 3.2Å; Y658-I660 PolarHBondContact O-N 2.81Å; Y658-R661 PolarHBondContact O-N 3.07Å; Y658-S662 VanDerWaalsContact O-CB 3.27Å; Y658-S662 WeakPolarHBondContact O-CB 3.33Å; Y658-S662 PolarHBondContact O-N 2.88Å
659	K	88	Confident	88.6	Confident	133 Å²	133	69.5 Å²	69.5	58%	0.578	35%	0.346	S	S	*	.	H	α-helix	trans	-61.1	-44.9	176	-74.1	176.1	-178.4	178.8	0	111.5	L655 N656 S662 N663	L655-K659 WeakPolarHBondContact O-CG 3.47Å; L655-K659 PolarHBondContact O-N 2.64Å; N656-K659 PolarHBondContact O-N 2.86Å; K659-S662 PolarHBondContact O-N 2.84Å; K659-N663 VanDerWaalsContact O-CG 3.31Å; K659-N663 PolarHBondContact O-N 2.8Å
660	I	89.9	Confident	88.4	Confident	98 Å²	98	68 Å²	68	50%	0.503	35%	0.347	S	S	.	.	H	α-helix	trans	-63.2	-46.4	177.7	-63	166.4	0	0	0	110.1	L610 N656 G657 Y658 S662 N663 N664	L610-I660 HydrophobicContact CD1-CG2 3.82Å; N656-I660 WeakPolarHBondContact O-CG1 3.25Å; N656-I660 PolarHBondContact O-N 3.05Å; G657-I660 PolarHBondContact O-N 2.82Å; Y658-I660 PolarHBondContact O-N 2.81Å; I660-S662 VanDerWaalsContact C-N 3.35Å; I660-S662 PolarHBondContact O-N 3.29Å; I660-N663 PolarHBondContact O-N 2.81Å; I660-N664 VanDerWaalsContact O-CB 3.23Å; I660-N664 WeakPolarHBondContact O-CB 3.32Å; I660-N664 PolarHBondContact O-N 2.94Å
661	R	84.7	Confident	88.2	Confident	77 Å²	77	68.2 Å²	68.2	29%	0.291	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-41.3	178	-166	-176.1	85	178.7	11.1	112	L610 M614 G657 Y658 H665	L610-R661 HydrophobicContact CB-CB 4.42Å; L610-R661 HydrophobicContact CB-CG 4.33Å; L610-R661 HydrophobicContact CD1-CB 4.16Å; M614-R661 HydrophobicContact SD-CB 4.25Å; G657-R661 WeakPolarHBondContact O-CB 3.41Å; G657-R661 PolarHBondContact O-N 2.7Å; Y658-R661 PolarHBondContact O-N 3.07Å; R661-H665 WeakPolarHBondContact O-CB 3.35Å; R661-H665 PolarHBondContact O-N 3.49Å
662	S	82.9	Confident	88	Confident	46 Å²	46	65.6 Å²	65.6	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-45.8	178.2	-169.9	0	0	0	0	111	Y658 K659 I660 H665 T666	Y658-S662 VanDerWaalsContact O-CB 3.27Å; Y658-S662 WeakPolarHBondContact O-CB 3.33Å; Y658-S662 PolarHBondContact O-N 2.88Å; K659-S662 PolarHBondContact O-N 2.84Å; I660-S662 VanDerWaalsContact C-N 3.35Å; I660-S662 PolarHBondContact O-N 3.29Å; S662-H665 PolarHBondContact O-N 3.04Å; S662-T666 PolarHBondContact O-N 3.31Å; S662-T666 PolarHBondContact O-OG1 3.25Å
663	N	89.4	Confident	87.8	Confident	103 Å²	103	62.2 Å²	62.2	55%	0.551	32%	0.323	S	S	*	.	H	α-helix	trans	-64.2	-47.2	177.6	-69.9	-6.3	0	0	0	111.4	K659 I660 H665 T666 E667	K659-N663 VanDerWaalsContact O-CG 3.31Å; K659-N663 PolarHBondContact O-N 2.8Å; I660-N663 PolarHBondContact O-N 2.81Å; N663-H665 VanDerWaalsContact C-N 3.29Å; N663-H665 PolarHBondContact O-N 2.78Å; N663-T666 PolarHBondContact O-N 2.95Å; N663-E667 WeakPolarHBondContact O-CG 3.33Å; N663-E667 PolarHBondContact O-N 2.79Å
664	N	90	Very high	87.8	Confident	12 Å²	12	60.3 Å²	60.3	6%	0.064	32%	0.318	C	S	.	.	H	α-helix	trans	-56	-43.1	174.5	168.8	-87.3	0	0	0	111.9	Y603 V606 H607 I660 E667 L668	Y603-N664 VanDerWaalsContact CD1-ND2 3.33Å; Y603-N664 WeakPolarHBondContact CD1-ND2 3.34Å; V606-N664 WeakPolarHBondContact CG1-ND2 3.39Å; H607-N664 WeakPolarHBondContact CB-OD1 3.42Å; I660-N664 VanDerWaalsContact O-CB 3.23Å; I660-N664 WeakPolarHBondContact O-CB 3.32Å; I660-N664 PolarHBondContact O-N 2.94Å; N664-E667 PolarHBondContact O-N 3.35Å; N664-L668 VanDerWaalsContact O-CB 3.3Å; N664-L668 WeakPolarHBondContact O-CB 3.44Å; N664-L668 PolarHBondContact O-N 2.99Å
665	H	84.3	Confident	87.9	Confident	46 Å²	46	59.1 Å²	59.1	21%	0.213	31%	0.311	C	S	.	.	H	α-helix	trans	-68.4	-41.5	178.6	-175.8	65.2	0	0	0	112.2	H607 R661 S662 N663 E667 L668 L669	H607-H665 AromaticContact CE1-ND1 3.97Å; R661-H665 WeakPolarHBondContact O-CB 3.35Å; R661-H665 PolarHBondContact O-N 3.49Å; S662-H665 PolarHBondContact O-N 3.04Å; N663-H665 VanDerWaalsContact C-N 3.29Å; N663-H665 PolarHBondContact O-N 2.78Å; H665-E667 PolarHBondContact O-N 2.75Å; H665-L668 PolarHBondContact O-N 2.87Å; H665-L669 WeakPolarHBondContact O-CG 3.46Å; H665-L669 PolarHBondContact O-N 2.66Å
666	T	86.8	Confident	87.9	Confident	89 Å²	89	54.8 Å²	54.8	55%	0.546	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-43.2	174.8	-56.6	0	0	0	0	111.6	S662 N663 L669 G670	S662-T666 PolarHBondContact O-N 3.31Å; S662-T666 PolarHBondContact O-OG1 3.25Å; N663-T666 PolarHBondContact O-N 2.95Å; T666-L669 PolarHBondContact O-N 2.97Å; T666-G670 PolarHBondContact O-N 3.29Å
667	E	89.9	Confident	87.9	Confident	96 Å²	96	53.8 Å²	53.8	45%	0.449	28%	0.282	S	S	.	.	H	α-helix	trans	-65.1	-41.5	175.4	-72	178.8	-173.6	0	0	111.8	Y603 N663 N664 H665 G670 N671	Y603-E667 HydrophobicContact CE1-CB 4.25Å; Y603-E667 WeakPolarHBondContact CE1-OE2 3.33Å; Y603-E667 HydrophobicContact CE2-CB 4.43Å; Y603-E667 PolarHBondContact OH-OE2 2.68Å; N663-E667 WeakPolarHBondContact O-CG 3.33Å; N663-E667 PolarHBondContact O-N 2.79Å; N664-E667 PolarHBondContact O-N 3.35Å; H665-E667 PolarHBondContact O-N 2.75Å; E667-G670 PolarHBondContact O-N 3.23Å; E667-N671 VanDerWaalsContact O-CG 3.28Å; E667-N671 PolarHBondContact O-N 3.09Å; E667-N671 PolarHBondContact O-ND2 2.94Å
668	L	87.8	Confident	88.1	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-47	174.7	177	61.9	0	0	0	111.6	V600 N664 H665 G670 N671 L672	V600-L668 HydrophobicContact CG1-CD1 4.16Å; N664-L668 VanDerWaalsContact O-CB 3.3Å; N664-L668 WeakPolarHBondContact O-CB 3.44Å; N664-L668 PolarHBondContact O-N 2.99Å; H665-L668 PolarHBondContact O-N 2.87Å; L668-G670 VanDerWaalsContact C-N 3.33Å; L668-G670 PolarHBondContact O-N 3.38Å; L668-N671 PolarHBondContact O-N 2.84Å; L668-L672 HydrophobicContact CD1-CD1 4.47Å; L668-L672 HydrophobicContact CD1-CG 4.3Å; L668-L672 HydrophobicContact CG-CD1 4.35Å; L668-L672 WeakPolarHBondContact O-CG 3.49Å; L668-L672 PolarHBondContact O-N 3.26Å
669	L	85.5	Confident	88.4	Confident	29 Å²	29	47.4 Å²	47.4	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-40.5	176.5	-71	176.4	0	0	0	111.9	A117 H665 T666 N671 L672 K673	A117-L669 WeakPolarHBondContact O-CD2 3.31Å; H665-L669 WeakPolarHBondContact O-CG 3.46Å; H665-L669 PolarHBondContact O-N 2.66Å; T666-L669 PolarHBondContact O-N 2.97Å; L669-N671 VanDerWaalsContact C-N 3.34Å; L669-N671 PolarHBondContact O-N 3.16Å; L669-L672 PolarHBondContact O-N 3.37Å; L669-K673 WeakPolarHBondContact O-CB 3.44Å; L669-K673 PolarHBondContact O-N 2.74Å
670	G	88.4	Confident	88.5	Confident	41 Å²	41	41.8 Å²	41.8	42%	0.423	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-40.9	174.6	0	0	0	0	0	112.7	T666 E667 L668 K673 A674	T666-G670 PolarHBondContact O-N 3.29Å; E667-G670 PolarHBondContact O-N 3.23Å; L668-G670 VanDerWaalsContact C-N 3.33Å; L668-G670 PolarHBondContact O-N 3.38Å; G670-K673 PolarHBondContact O-N 2.94Å; G670-A674 PolarHBondContact O-N 3.35Å
671	N	90.5	Very high	88.5	Confident	27 Å²	27	39.1 Å²	39.1	14%	0.144	21%	0.212	C	C	.	.	H	α-helix	trans	-70.6	-41.2	176.6	-67.7	-40.6	0	0	0	112.5	V596 V600 Y603 E667 L668 L669 K673 A674 V675	V596-N671 HydrophobicContact CG1-CB 3.78Å; V600-N671 HydrophobicContact CG2-CB 3.63Å; Y603-N671 WeakPolarHBondContact CD2-ND2 3.27Å; Y603-N671 WeakPolarHBondContact CE2-ND2 3.27Å; E667-N671 VanDerWaalsContact O-CG 3.28Å; E667-N671 PolarHBondContact O-N 3.09Å; E667-N671 PolarHBondContact O-ND2 2.94Å; L668-N671 PolarHBondContact O-N 2.84Å; L669-N671 VanDerWaalsContact C-N 3.34Å; L669-N671 PolarHBondContact O-N 3.16Å; N671-K673 VanDerWaalsContact C-N 3.31Å; N671-K673 PolarHBondContact O-N 2.72Å; N671-A674 PolarHBondContact O-N 3.41Å; N671-V675 WeakPolarHBondContact O-CG2 3.5Å; N671-V675 PolarHBondContact O-N 2.76Å
672	L	86.4	Confident	88.9	Confident	23 Å²	23	35.6 Å²	35.6	12%	0.12	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-42	173.8	-73.6	179.3	0	0	0	111.1	A117 V600 L668 L669 A674 V675 N676	A117-L672 HydrophobicContact CB-CD1 4.22Å; V600-L672 HydrophobicContact CG1-CD2 4.08Å; L668-L672 HydrophobicContact CD1-CD1 4.47Å; L668-L672 HydrophobicContact CD1-CG 4.3Å; L668-L672 HydrophobicContact CG-CD1 4.35Å; L668-L672 WeakPolarHBondContact O-CG 3.49Å; L668-L672 PolarHBondContact O-N 3.26Å; L669-L672 PolarHBondContact O-N 3.37Å; L672-A674 PolarHBondContact O-N 3.09Å; L672-V675 PolarHBondContact O-N 3.47Å; L672-N676 PolarHBondContact O-N 3.25Å
673	K	88.4	Confident	89.2	Confident	53 Å²	53	33.4 Å²	33.4	23%	0.23	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-46.8	172.5	-176	173.3	-179.6	166.8	0	111.4	D161 L669 G670 N671 V675 N676 Q677	D161-K673 WeakPolarHBondContact OD1-CE 3.27Å; D161-K673 IonicContact OD1-NZ 3.1Å; D161-K673 PolarHBondContact OD1-NZ 2.98Å; D161-K673 IonicContact OD2-NZ 3.68Å; L669-K673 WeakPolarHBondContact O-CB 3.44Å; L669-K673 PolarHBondContact O-N 2.74Å; G670-K673 PolarHBondContact O-N 2.94Å; N671-K673 VanDerWaalsContact C-N 3.31Å; N671-K673 PolarHBondContact O-N 2.72Å; K673-V675 VanDerWaalsContact C-N 3.33Å; K673-V675 PolarHBondContact O-N 3.31Å; K673-N676 PolarHBondContact O-N 3.03Å; K673-Q677 VanDerWaalsContact O-CB 3.27Å; K673-Q677 WeakPolarHBondContact O-CB 3.49Å; K673-Q677 PolarHBondContact O-N 3.45Å
674	A	90.6	Very high	89.2	Confident	34 Å²	34	30.8 Å²	30.8	28%	0.281	17%	0.167	S	C	.	.	H	α-helix	trans	-62.3	-38.2	178	0	0	0	0	0	112.8	V596 G670 N671 L672 A678	V596-A674 HydrophobicContact CG1-CB 4.34Å; G670-A674 PolarHBondContact O-N 3.35Å; N671-A674 PolarHBondContact O-N 3.41Å; L672-A674 PolarHBondContact O-N 3.09Å; A674-A678 WeakPolarHBondContact O-CB 3.43Å; A674-A678 PolarHBondContact O-N 3.38Å
675	V	91	Very high	89.3	Confident	10 Å²	10	30.4 Å²	30.4	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-65.9	-49.3	175	172.5	0	0	0	0	110.8	L593 V596 L597 N671 L672 K673 Q677 A678 I679 I702	L593-V675 HydrophobicContact CD1-CG2 4.24Å; V596-V675 HydrophobicContact CG1-CG2 3.96Å; L597-V675 HydrophobicContact CD2-CG1 4.04Å; L597-V675 HydrophobicContact CD2-CG2 3.7Å; L597-V675 HydrophobicContact CG-CG2 4.25Å; N671-V675 WeakPolarHBondContact O-CG2 3.5Å; N671-V675 PolarHBondContact O-N 2.76Å; L672-V675 PolarHBondContact O-N 3.47Å; K673-V675 VanDerWaalsContact C-N 3.33Å; K673-V675 PolarHBondContact O-N 3.31Å; V675-Q677 VanDerWaalsContact C-N 3.34Å; V675-Q677 PolarHBondContact O-N 2.87Å; V675-A678 WeakPolarHBondContact O-CB 3.49Å; V675-A678 PolarHBondContact O-N 2.72Å; V675-A678 VanDerWaalsContact O-N 3.15Å; V675-I679 HydrophobicContact CG1-CD1 4.41Å; V675-I679 WeakPolarHBondContact O-CG1 3.34Å; V675-I679 PolarHBondContact O-N 3.2Å; V675-I679 VanDerWaalsContact O-N 3.08Å; V675-I702 HydrophobicContact CG1-CD1 3.84Å
676	N	89.3	Confident	89.7	Confident	13 Å²	13	28.2 Å²	28.2	7%	0.07	15%	0.154	C	C	.	.	H	α-helix	trans	-61.3	-43.2	177.9	-71.6	-21	0	0	0	111.2	D118 N141 C142 V158 L672 K673 A678 I679 Q680	D118-N676 PolarHBondContact OD1-ND2 3.42Å; N141-N676 PolarHBondContact O-ND2 2.86Å; C142-N676 HydrophobicContact CB-CB 3.64Å; V158-N676 HydrophobicContact CG2-CB 4.07Å; V158-N676 VanDerWaalsContact CG2-O 3.31Å; V158-N676 WeakPolarHBondContact CG2-O 3.22Å; L672-N676 PolarHBondContact O-N 3.25Å; K673-N676 PolarHBondContact O-N 3.03Å; N676-A678 VanDerWaalsContact C-N 3.3Å; N676-A678 PolarHBondContact O-N 3.1Å; N676-I679 WeakPolarHBondContact O-CB 3.39Å; N676-I679 PolarHBondContact O-N 3.44Å; N676-Q680 PolarHBondContact O-N 3.16Å
677	Q	90.1	Very high	89.9	Confident	54 Å²	54	24.8 Å²	24.8	25%	0.252	13%	0.133	S	C	.	.	H	α-helix	trans	-62.8	-36	175.7	-167.7	171.3	25.8	0	0	112.1	K673 V675 Q680 R681	K673-Q677 VanDerWaalsContact O-CB 3.27Å; K673-Q677 WeakPolarHBondContact O-CB 3.49Å; K673-Q677 PolarHBondContact O-N 3.45Å; V675-Q677 VanDerWaalsContact C-N 3.34Å; V675-Q677 PolarHBondContact O-N 2.87Å; Q677-Q680 PolarHBondContact O-N 2.8Å; Q677-R681 WeakPolarHBondContact O-CB 3.29Å; Q677-R681 VanDerWaalsContact O-CG 3.24Å; Q677-R681 WeakPolarHBondContact O-CG 3.42Å; Q677-R681 PolarHBondContact O-N 2.93Å
678	A	91.6	Very high	89.8	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-65.1	-40.6	174.5	0	0	0	0	0	112.9	Y589 L593 A674 V675 N676 Q680 R681 A682	Y589-A678 HydrophobicContact CE1-CB 4.39Å; Y589-A678 VanDerWaalsContact OH-CA 3.28Å; Y589-A678 WeakPolarHBondContact OH-CA 3.36Å; Y589-A678 WeakPolarHBondContact OH-CB 3.44Å; L593-A678 HydrophobicContact CD1-CB 3.71Å; L593-A678 HydrophobicContact CD2-CB 3.49Å; L593-A678 VanDerWaalsContact CD2-CB 3.49Å; L593-A678 HydrophobicContact CG-CB 4.24Å; A674-A678 WeakPolarHBondContact O-CB 3.43Å; A674-A678 PolarHBondContact O-N 3.38Å; V675-A678 WeakPolarHBondContact O-CB 3.49Å; V675-A678 PolarHBondContact O-N 2.72Å; V675-A678 VanDerWaalsContact O-N 3.15Å; N676-A678 VanDerWaalsContact C-N 3.3Å; N676-A678 PolarHBondContact O-N 3.1Å; A678-Q680 VanDerWaalsContact C-N 3.32Å; A678-R681 PolarHBondContact O-N 3.22Å; A678-A682 WeakPolarHBondContact O-CB 3.4Å; A678-A682 PolarHBondContact O-N 3.37Å
679	I	90.8	Very high	89.8	Confident	3 Å²	3	26.8 Å²	26.8	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-44.4	174	-59.2	166.6	0	0	0	109.8	W156 V158 V675 N676 A682 G683 I695 C698 I702	W156-I679 HydrophobicContact CH2-CD1 4.43Å; V158-I679 HydrophobicContact CG1-CG2 4.19Å; V675-I679 HydrophobicContact CG1-CD1 4.41Å; V675-I679 WeakPolarHBondContact O-CG1 3.34Å; V675-I679 PolarHBondContact O-N 3.2Å; V675-I679 VanDerWaalsContact O-N 3.08Å; N676-I679 WeakPolarHBondContact O-CB 3.39Å; N676-I679 PolarHBondContact O-N 3.44Å; I679-A682 PolarHBondContact O-N 2.77Å; I679-G683 PolarHBondContact O-N 3.38Å; I679-I695 HydrophobicContact CG2-CB 4.48Å; I679-I695 HydrophobicContact CG2-CG1 4.35Å; I679-I695 HydrophobicContact CG2-CG2 4.4Å; I679-C698 HydrophobicContact CG1-CB 4.15Å; I679-C698 HydrophobicContact CG2-CB 3.81Å; I679-I702 HydrophobicContact CD1-CD1 3.42Å; I679-I702 VanDerWaalsContact CD1-CD1 3.42Å; I679-I702 HydrophobicContact CG1-CD1 4.08Å
680	Q	89.6	Confident	90	Very high	14 Å²	14	26.2 Å²	26.2	7%	0.065	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-46.1	178.9	-169.4	-82	-11.6	0	0	111.7	V158 N676 Q677 A678 A682 G683 R684	V158-Q680 HydrophobicContact CG1-CB 3.95Å; V158-Q680 HydrophobicContact CG1-CG 4.32Å; V158-Q680 HydrophobicContact CG2-CB 4.07Å; N676-Q680 PolarHBondContact O-N 3.16Å; Q677-Q680 PolarHBondContact O-N 2.8Å; A678-Q680 VanDerWaalsContact C-N 3.32Å; Q680-A682 PolarHBondContact O-N 3.35Å; Q680-G683 CarbonylContact O-C 3.53Å; Q680-G683 WeakPolarHBondContact O-CA 3.46Å; Q680-G683 PolarHBondContact O-N 2.9Å; Q680-G683 VanDerWaalsContact O-N 3.11Å; Q680-R684 WeakPolarHBondContact O-CB 3.46Å; Q680-R684 PolarHBondContact O-N 3.22Å
681	R	91.4	Very high	90	Very high	43 Å²	43	25.3 Å²	25.3	16%	0.162	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-44.6	176.9	-76.1	167.2	166.8	170.2	3.3	111.9	I561 D562 Y589 Q677 A678 G683 R684 L685	I561-R681 HydrophobicContact CD1-CB 3.94Å; I561-R681 HydrophobicContact CG1-CB 4.25Å; I561-R681 HydrophobicContact CG2-CB 4.43Å; I561-R681 HydrophobicContact CG2-CG 4.35Å; D562-R681 VanDerWaalsContact CG-NE 3.31Å; D562-R681 WeakPolarHBondContact OD1-CD 3.26Å; D562-R681 VanDerWaalsContact OD1-CG 3.29Å; D562-R681 WeakPolarHBondContact OD1-CG 3.43Å; D562-R681 IonicContact OD1-CZ 2.71Å; D562-R681 IonicContact OD1-NE 3.35Å; D562-R681 PolarHBondContact OD1-NE 3.06Å; D562-R681 IonicContact OD1-NH2 3.9Å; D562-R681 IonicContact OD2-CZ 3Å; D562-R681 IonicContact OD2-NE 3.7Å; D562-R681 PolarHBondContact OD2-NE 3.45Å; D562-R681 VanDerWaalsContact OD2-NE 3.1Å; D562-R681 IonicContact OD2-NH2 3.66Å; D562-R681 PolarHBondContact OD2-NH2 2.84Å; Y589-R681 WeakPolarHBondContact OH-CD 3.46Å; Y589-R681 PolarHBondContact OH-NH1 3.49Å; Q677-R681 WeakPolarHBondContact O-CB 3.29Å; Q677-R681 VanDerWaalsContact O-CG 3.24Å; Q677-R681 WeakPolarHBondContact O-CG 3.42Å; Q677-R681 PolarHBondContact O-N 2.93Å; A678-R681 PolarHBondContact O-N 3.22Å; R681-G683 VanDerWaalsContact C-N 3.26Å; R681-G683 PolarHBondContact O-N 3.46Å; R681-R684 PolarHBondContact O-N 3.04Å; R681-L685 WeakPolarHBondContact O-CG 3.29Å; R681-L685 PolarHBondContact O-N 3.48Å; R681-L685 VanDerWaalsContact O-N 3.09Å
682	A	91.7	Very high	89.7	Confident	3 Å²	3	25.2 Å²	25.2	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-34.9	175	0	0	0	0	0	112.6	A678 I679 Q680 R686 V694 M714	A678-A682 WeakPolarHBondContact O-CB 3.4Å; A678-A682 PolarHBondContact O-N 3.37Å; I679-A682 PolarHBondContact O-N 2.77Å; Q680-A682 PolarHBondContact O-N 3.35Å; A682-R686 PolarHBondContact O-NH1 2.98Å; A682-V694 HydrophobicContact CB-CG1 4.24Å; A682-M714 HydrophobicContact CB-CB 4.03Å; A682-M714 HydrophobicContact CB-CG 3.62Å; A682-M714 HydrophobicContact CB-SD 3.89Å
683	G	89.5	Confident	89.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-69.4	-44.9	170.8	0	0	0	0	0	112.9	I679 Q680 R681 L685 R686 K691	I679-G683 PolarHBondContact O-N 3.38Å; Q680-G683 CarbonylContact O-C 3.53Å; Q680-G683 WeakPolarHBondContact O-CA 3.46Å; Q680-G683 PolarHBondContact O-N 2.9Å; Q680-G683 VanDerWaalsContact O-N 3.11Å; R681-G683 VanDerWaalsContact C-N 3.26Å; R681-G683 PolarHBondContact O-N 3.46Å; G683-L685 PolarHBondContact O-N 2.85Å; G683-R686 PolarHBondContact O-N 2.99Å; G683-R686 VanDerWaalsContact O-O 3.14Å; G683-K691 WeakPolarHBondContact O-CG 3.24Å
684	R	89.6	Confident	90	Very high	48 Å²	48	27.2 Å²	27.2	18%	0.181	14%	0.139	C	C	.	.	H	α-helix	trans	-65.4	-19.8	-178.5	-169.2	178.5	179.7	129.5	3.2	113.2	D566 Q569 Q680 R681 R686	D566-R684 IonicContact OD1-CZ 2.66Å; D566-R684 VanDerWaalsContact OD1-CZ 3.26Å; D566-R684 IonicContact OD1-NE 3.16Å; D566-R684 PolarHBondContact OD1-NE 3.39Å; D566-R684 VanDerWaalsContact OD1-NE 3.12Å; D566-R684 IonicContact OD1-NH2 3.93Å; D566-R684 PolarHBondContact OD1-NH2 2.91Å; Q569-R684 HydrophobicContact CG-CG 4.19Å; Q569-R684 PolarHBondContact NE2-O 3.48Å; Q680-R684 WeakPolarHBondContact O-CB 3.46Å; Q680-R684 PolarHBondContact O-N 3.22Å; R681-R684 PolarHBondContact O-N 3.04Å; R684-R686 PolarHBondContact O-N 3.38Å
685	L	93	Very high	89.9	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.016	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-10.1	168.4	-73.6	170.7	0	0	0	113.8	V499 I561 A564 I568 V582 A584 F586 R681 G683	V499-L685 HydrophobicContact CG2-CD2 4.12Å; I561-L685 HydrophobicContact CD1-CD1 3.94Å; I561-L685 HydrophobicContact CG1-CD1 3.91Å; I561-L685 HydrophobicContact CG1-CD2 4.44Å; I561-L685 HydrophobicContact CG1-CG 4.29Å; A564-L685 HydrophobicContact CB-CD2 3.82Å; I568-L685 HydrophobicContact CD1-CD2 3.94Å; V582-L685 WeakPolarHBondContact CG1-O 3.46Å; V582-L685 HydrophobicContact CG2-CB 4.07Å; V582-L685 WeakPolarHBondContact CG2-O 3.34Å; A584-L685 HydrophobicContact CB-CD1 4.12Å; F586-L685 HydrophobicContact CE2-CD1 3.84Å; F586-L685 HydrophobicContact CE2-CD2 4.47Å; R681-L685 WeakPolarHBondContact O-CG 3.29Å; R681-L685 PolarHBondContact O-N 3.48Å; R681-L685 VanDerWaalsContact O-N 3.09Å; G683-L685 PolarHBondContact O-N 2.85Å
686	R	92.3	Very high	89.7	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-124.8	158.3	-176.3	-66.1	168.9	177.5	86.8	5.5	110.8	Q569 Q581 V582 A682 G683 R684 P690 K691 M714 R715	Q569-R686 PolarHBondContact NE2-O 3.32Å; Q581-R686 VanDerWaalsContact OE1-NE 3.14Å; V582-R686 HydrophobicContact CG2-CG 3.87Å; V582-R686 PolarHBondContact O-NH2 3.12Å; V582-R686 VanDerWaalsContact O-NH2 3.1Å; A682-R686 PolarHBondContact O-NH1 2.98Å; G683-R686 PolarHBondContact O-N 2.99Å; G683-R686 VanDerWaalsContact O-O 3.14Å; R684-R686 PolarHBondContact O-N 3.38Å; R686-P690 HydrophobicContact CB-CB 4.3Å; R686-K691 HydrophobicContact CB-CB 4.5Å; R686-M714 PolarHBondContact NH1-O 3.46Å; R686-M714 PolarHBondContact NH2-O 3.39Å; R686-R715 PolarHBondContact NH2-O 3.31Å
687	V	89.7	Confident	89.8	Confident	17 Å²	17	28.4 Å²	28.4	10%	0.103	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-125.1	138.9	-175.5	-170	0	0	0	0	109.2	I568 A572 E578 D579 L580 P690	I568-V687 HydrophobicContact CG2-CG2 4.26Å; A572-V687 HydrophobicContact CB-CB 4.26Å; A572-V687 HydrophobicContact CB-CG1 4.03Å; A572-V687 HydrophobicContact CB-CG2 3.61Å; E578-V687 CarbonylContact O-C 3.54Å; D579-V687 WeakPolarHBondContact CA-O 3.26Å; L580-V687 HydrophobicContact CB-CB 3.92Å; L580-V687 HydrophobicContact CB-CG2 4.1Å; L580-V687 HydrophobicContact CD2-CG2 4.42Å; L580-V687 PolarHBondContact N-O 3.17Å; L580-V687 PolarHBondContact O-N 3.14Å; V687-P690 WeakPolarHBondContact O-CD 3.27Å
688	G	87.9	Confident	89.8	Confident	23 Å²	23	25.8 Å²	25.8	24%	0.237	13%	0.133	C	C	.	.	S	Bend	trans	73.9	-143.9	179.8	0	0	0	0	0	113.8	E578 D579 P690 K691	E578-G688 WeakPolarHBondContact O-CA 3.41Å; E578-G688 PolarHBondContact O-N 2.91Å; D579-G688 WeakPolarHBondContact OD1-CA 3.42Å; G688-P690 VanDerWaalsContact C-CD 3.42Å; G688-K691 VanDerWaalsContact O-CB 3.22Å; G688-K691 WeakPolarHBondContact O-CB 3.39Å; G688-K691 PolarHBondContact O-N 3.42Å; G688-K691 VanDerWaalsContact O-N 3.1Å
689	K	87.7	Confident	89.5	Confident	123 Å²	123	27.6 Å²	27.6	54%	0.535	14%	0.139	S	C	.	.	H	α-helix	trans	-57	-38.7	-174.5	-62.4	176.4	-174.5	172.4	0	114.7	D579 K691 N692 Q693	D579-K689 PolarHBondContact OD1-N 3.42Å; K689-K691 PolarHBondContact O-N 3.22Å; K689-N692 PolarHBondContact O-N 3.03Å; K689-Q693 PolarHBondContact O-N 2.86Å
690	P	90.8	Very high	89.4	Confident	18 Å²	18	31.9 Å²	31.9	12%	0.117	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-26.6	177.5	-24	32.7	0	0	0	114.3	Q581 R686 V687 G688 V694	Q581-P690 VanDerWaalsContact OE1-CB 3.23Å; R686-P690 HydrophobicContact CB-CB 4.3Å; V687-P690 WeakPolarHBondContact O-CD 3.27Å; G688-P690 VanDerWaalsContact C-CD 3.42Å; P690-V694 WeakPolarHBondContact O-CG2 3.36Å; P690-V694 PolarHBondContact O-N 2.92Å
691	K	88.7	Confident	89.3	Confident	22 Å²	22	31.5 Å²	31.5	10%	0.096	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-50.3	174.9	179.2	171.5	-175.8	-177.2	0	111.1	I196 G683 R686 G688 K689 V694 I695	I196-K691 HydrophobicContact CD1-CD 4.5Å; I196-K691 VanDerWaalsContact CD1-NZ 3.27Å; G683-K691 WeakPolarHBondContact O-CG 3.24Å; R686-K691 HydrophobicContact CB-CB 4.5Å; G688-K691 VanDerWaalsContact O-CB 3.22Å; G688-K691 WeakPolarHBondContact O-CB 3.39Å; G688-K691 PolarHBondContact O-N 3.42Å; G688-K691 VanDerWaalsContact O-N 3.1Å; K689-K691 PolarHBondContact O-N 3.22Å; K691-V694 PolarHBondContact O-N 3.02Å; K691-I695 HydrophobicContact CG-CD1 4.08Å; K691-I695 WeakPolarHBondContact O-CG1 3.21Å; K691-I695 PolarHBondContact O-N 3.42Å; K691-I695 VanDerWaalsContact O-N 3.14Å
692	N	84.5	Confident	89.1	Confident	24 Å²	24	32.2 Å²	32.2	13%	0.128	17%	0.168	C	C	.	.	H	α-helix	trans	-69	-40.6	-176.4	-54.8	-14.6	0	0	0	111	D194 E195 K689 V694 I695 T696	D194-N692 PolarHBondContact O-ND2 2.97Å; D194-N692 PolarHBondContact O-OD1 3.05Å; D194-N692 VanDerWaalsContact O-OD1 3.12Å; E195-N692 WeakPolarHBondContact CA-ND2 3.48Å; K689-N692 PolarHBondContact O-N 3.03Å; N692-V694 VanDerWaalsContact C-N 3.27Å; N692-V694 PolarHBondContact O-N 3.46Å; N692-I695 PolarHBondContact O-N 3.32Å; N692-I695 VanDerWaalsContact O-N 3.12Å; N692-T696 PolarHBondContact O-N 2.87Å; N692-T696 PolarHBondContact O-OG1 3.26Å
693	Q	89	Confident	88.8	Confident	118 Å²	118	39.2 Å²	39.2	55%	0.551	19%	0.193	S	C	*	.	H	α-helix	trans	-58.4	-38.8	176.5	-69.1	177.2	-0.9	0	0	112.5	K689 T696 A697	K689-Q693 PolarHBondContact O-N 2.86Å; Q693-T696 PolarHBondContact O-OG1 3.12Å; Q693-T696 VanDerWaalsContact O-OG1 3.11Å; Q693-A697 WeakPolarHBondContact O-CB 3.48Å; Q693-A697 PolarHBondContact O-N 2.98Å
694	V	91.4	Very high	88.7	Confident	1 Å²	1	43 Å²	43	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-69.6	-42	175.8	168.1	0	0	0	0	111	A682 P690 K691 N692 A697 C698 I713	A682-V694 HydrophobicContact CB-CG1 4.24Å; P690-V694 WeakPolarHBondContact O-CG2 3.36Å; P690-V694 PolarHBondContact O-N 2.92Å; K691-V694 PolarHBondContact O-N 3.02Å; N692-V694 VanDerWaalsContact C-N 3.27Å; N692-V694 PolarHBondContact O-N 3.46Å; V694-A697 PolarHBondContact O-N 3.38Å; V694-C698 WeakPolarHBondContact O-CB 3.4Å; V694-C698 PolarHBondContact O-N 3.17Å; V694-C698 PolarHBondContact O-SG 3.39Å; V694-I713 HydrophobicContact CG1-CG2 4.25Å; V694-I713 HydrophobicContact CG2-CG2 4.39Å
695	I	88.8	Confident	88.4	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-48.8	179.2	-68.5	164.8	0	0	0	110.7	W156 V158 I679 K691 N692 R699	W156-I695 HydrophobicContact CE3-CG2 4.43Å; W156-I695 HydrophobicContact CZ3-CG2 3.7Å; V158-I695 HydrophobicContact CB-CG2 4.41Å; V158-I695 HydrophobicContact CG1-CD1 3.89Å; V158-I695 HydrophobicContact CG1-CG1 3.89Å; V158-I695 HydrophobicContact CG1-CG2 3.82Å; I679-I695 HydrophobicContact CG2-CB 4.48Å; I679-I695 HydrophobicContact CG2-CG1 4.35Å; I679-I695 HydrophobicContact CG2-CG2 4.4Å; K691-I695 HydrophobicContact CG-CD1 4.08Å; K691-I695 WeakPolarHBondContact O-CG1 3.21Å; K691-I695 PolarHBondContact O-N 3.42Å; K691-I695 VanDerWaalsContact O-N 3.14Å; N692-I695 PolarHBondContact O-N 3.32Å; N692-I695 VanDerWaalsContact O-N 3.12Å; I695-R699 PolarHBondContact O-N 3.01Å
696	T	87.2	Confident	88.2	Confident	55 Å²	55	48.3 Å²	48.3	34%	0.337	25%	0.252	S	S	.	.	H	α-helix	trans	-65.3	-46	178.9	58.4	0	0	0	0	111.6	N692 Q693 C698 R699 D700	N692-T696 PolarHBondContact O-N 2.87Å; N692-T696 PolarHBondContact O-OG1 3.26Å; Q693-T696 PolarHBondContact O-OG1 3.12Å; Q693-T696 VanDerWaalsContact O-OG1 3.11Å; T696-C698 PolarHBondContact O-N 3.36Å; T696-R699 WeakPolarHBondContact O-CB 3.48Å; T696-R699 PolarHBondContact O-N 3.41Å; T696-R699 VanDerWaalsContact O-N 3.16Å; T696-D700 PolarHBondContact O-N 2.97Å
697	A	90.2	Very high	88	Confident	21 Å²	21	50.1 Å²	50.1	17%	0.174	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-36.6	-179.8	0	0	0	0	0	112.4	Q693 V694 D700 A701 I713	Q693-A697 WeakPolarHBondContact O-CB 3.48Å; Q693-A697 PolarHBondContact O-N 2.98Å; V694-A697 PolarHBondContact O-N 3.38Å; A697-D700 PolarHBondContact O-N 3.44Å; A697-A701 VanDerWaalsContact O-CB 3.32Å; A697-A701 WeakPolarHBondContact O-CB 3.37Å; A697-A701 PolarHBondContact O-N 2.79Å; A697-I713 HydrophobicContact CB-CD1 3.87Å; A697-I713 HydrophobicContact CB-CG1 4.43Å; A697-I713 HydrophobicContact CB-CG2 3.96Å
698	C	90.1	Very high	87.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-42.4	172.7	-77.4	0	0	0	0	111.2	I679 V694 T696 A701 I702 L710	I679-C698 HydrophobicContact CG1-CB 4.15Å; I679-C698 HydrophobicContact CG2-CB 3.81Å; V694-C698 WeakPolarHBondContact O-CB 3.4Å; V694-C698 PolarHBondContact O-N 3.17Å; V694-C698 PolarHBondContact O-SG 3.39Å; T696-C698 PolarHBondContact O-N 3.36Å; C698-A701 PolarHBondContact O-N 3.1Å; C698-I702 VanDerWaalsContact O-CG1 3.32Å; C698-I702 WeakPolarHBondContact O-CG1 3.45Å; C698-I702 PolarHBondContact O-N 3.41Å; C698-L710 HydrophobicContact CB-CD1 3.66Å
699	R	86.3	Confident	88	Confident	39 Å²	39	55 Å²	55	15%	0.147	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-47.1	175.8	-165.6	-161.3	-163.7	-166.6	-0.2	111.7	D153 W156 I695 T696 A701 I702 R703	D153-R699 IonicContact OD1-NH2 3.48Å; D153-R699 IonicContact OD2-CZ 3.36Å; D153-R699 IonicContact OD2-NH1 3.19Å; D153-R699 PolarHBondContact OD2-NH1 2.8Å; D153-R699 IonicContact OD2-NH2 3.15Å; D153-R699 PolarHBondContact OD2-NH2 3.4Å; W156-R699 VanDerWaalsContact CB-NH2 3.29Å; W156-R699 HydrophobicContact CD2-CG 4.21Å; W156-R699 HydrophobicContact CE3-CB 4.21Å; W156-R699 HydrophobicContact CE3-CG 3.91Å; W156-R699 VanDerWaalsContact CG-NE 3.28Å; W156-R699 HydrophobicContact CH2-CB 3.88Å; W156-R699 HydrophobicContact CH2-CG 3.73Å; W156-R699 HydrophobicContact CZ2-CG 4.05Å; W156-R699 HydrophobicContact CZ3-CB 3.61Å; W156-R699 HydrophobicContact CZ3-CG 3.65Å; I695-R699 PolarHBondContact O-N 3.01Å; T696-R699 WeakPolarHBondContact O-CB 3.48Å; T696-R699 PolarHBondContact O-N 3.41Å; T696-R699 VanDerWaalsContact O-N 3.16Å; R699-A701 VanDerWaalsContact C-N 3.32Å; R699-A701 PolarHBondContact O-N 2.92Å; R699-I702 PolarHBondContact O-N 3.44Å; R699-R703 VanDerWaalsContact CZ-CZ 3.48Å; R699-R703 WeakPolarHBondContact O-CG 3.32Å; R699-R703 PolarHBondContact O-N 2.99Å
700	D	88.2	Confident	88.1	Confident	93 Å²	93	49.4 Å²	49.4	50%	0.497	26%	0.258	S	S	.	.	H	α-helix	trans	-66.3	-36.1	-179.9	-69.6	-23.4	0	0	0	111.9	T696 A697 R703 S704	T696-D700 PolarHBondContact O-N 2.97Å; A697-D700 PolarHBondContact O-N 3.44Å; D700-R703 PolarHBondContact O-N 2.66Å; D700-S704 WeakPolarHBondContact O-CB 3.17Å; D700-S704 PolarHBondContact O-N 2.97Å; D700-S704 PolarHBondContact O-OG 2.95Å
701	A	88.1	Confident	88.2	Confident	5 Å²	5	48.9 Å²	48.9	4%	0.041	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-37.2	174	0	0	0	0	0	112.4	A697 C698 R699 S704 N705 N706 L710 I713	A697-A701 VanDerWaalsContact O-CB 3.32Å; A697-A701 WeakPolarHBondContact O-CB 3.37Å; A697-A701 PolarHBondContact O-N 2.79Å; C698-A701 PolarHBondContact O-N 3.1Å; R699-A701 VanDerWaalsContact C-N 3.32Å; R699-A701 PolarHBondContact O-N 2.92Å; A701-S704 WeakPolarHBondContact CA-OG 3.41Å; A701-S704 PolarHBondContact O-OG 3Å; A701-N705 PolarHBondContact O-N 3.43Å; A701-N706 PolarHBondContact O-N 2.88Å; A701-L710 HydrophobicContact CB-CB 3.84Å; A701-L710 HydrophobicContact CB-CD1 4.16Å; A701-I713 HydrophobicContact CB-CD1 4.14Å
702	I	86.8	Confident	88.3	Confident	59 Å²	59	52.4 Å²	52.4	30%	0.303	27%	0.267	S	S	.	.	H	α-helix	trans	-69.6	-44.2	174.4	-68.2	164.8	0	0	0	110.5	V675 I679 C698 R699 S704 N705 L710	V675-I702 HydrophobicContact CG1-CD1 3.84Å; I679-I702 HydrophobicContact CD1-CD1 3.42Å; I679-I702 VanDerWaalsContact CD1-CD1 3.42Å; I679-I702 HydrophobicContact CG1-CD1 4.08Å; C698-I702 VanDerWaalsContact O-CG1 3.32Å; C698-I702 WeakPolarHBondContact O-CG1 3.45Å; C698-I702 PolarHBondContact O-N 3.41Å; R699-I702 PolarHBondContact O-N 3.44Å; I702-S704 VanDerWaalsContact C-N 3.26Å; I702-S704 PolarHBondContact O-N 3.35Å; I702-N705 PolarHBondContact O-N 2.96Å; I702-L710 HydrophobicContact CD1-CD1 4.25Å; I702-L710 HydrophobicContact CD1-CD2 4.31Å; I702-L710 HydrophobicContact CG1-CD1 4.04Å; I702-L710 HydrophobicContact CG1-CD2 3.8Å
703	R	84.4	Confident	88.7	Confident	150 Å²	150	51.3 Å²	51.3	57%	0.566	26%	0.261	S	S	*	.	H	α-helix	trans	-60.1	-35.2	176.5	-78.2	-179.2	166	-174.2	-5.9	112.9	D153 R699 D700 N705	D153-R703 IonicContact OD2-NH2 2.76Å; D153-R703 PolarHBondContact OD2-NH2 3.09Å; R699-R703 VanDerWaalsContact CZ-CZ 3.48Å; R699-R703 WeakPolarHBondContact O-CG 3.32Å; R699-R703 PolarHBondContact O-N 2.99Å; D700-R703 PolarHBondContact O-N 2.66Å; R703-N705 VanDerWaalsContact C-N 3.31Å
704	S	87.5	Confident	88.8	Confident	80 Å²	80	45.9 Å²	45.9	56%	0.559	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	3.2	176	56.9	0	0	0	0	114	D700 A701 I702 N706	D700-S704 WeakPolarHBondContact O-CB 3.17Å; D700-S704 PolarHBondContact O-N 2.97Å; D700-S704 PolarHBondContact O-OG 2.95Å; A701-S704 WeakPolarHBondContact CA-OG 3.41Å; A701-S704 PolarHBondContact O-OG 3Å; I702-S704 VanDerWaalsContact C-N 3.26Å; I702-S704 PolarHBondContact O-N 3.35Å; S704-N706 PolarHBondContact O-N 2.87Å
705	N	84.4	Confident	88.9	Confident	94 Å²	94	50.3 Å²	50.3	50%	0.503	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	37.9	-175	-153.6	-10	0	0	0	113.7	D601 A701 I702 R703	D601-N705 PolarHBondContact OD2-ND2 3.25Å; A701-N705 PolarHBondContact O-N 3.43Å; I702-N705 PolarHBondContact O-N 2.96Å; R703-N705 VanDerWaalsContact C-N 3.31Å
706	N	88.2	Confident	88.9	Confident	68 Å²	68	53.2 Å²	53.2	36%	0.364	27%	0.27	S	S	.	.			trans	-103.7	76.5	-178.8	-166.5	-24.3	0	0	0	111.4	A701 S704 N708 T709 L710	A701-N706 PolarHBondContact O-N 2.88Å; S704-N706 PolarHBondContact O-N 2.87Å; N706-N708 VanDerWaalsContact C-N 3.28Å; N706-N708 PolarHBondContact O-N 3.42Å; N706-T709 PolarHBondContact ND2-OG1 3.16Å; N706-T709 PolarHBondContact O-N 3.39Å; N706-T709 WeakPolarHBondContact OD1-CB 3.48Å; N706-T709 PolarHBondContact OD1-N 3.15Å; N706-T709 VanDerWaalsContact OD1-N 3.15Å; N706-T709 PolarHBondContact OD1-OG1 2.98Å; N706-L710 PolarHBondContact O-N 2.91Å
707	I	87.3	Confident	88.5	Confident	37 Å²	37	51.1 Å²	51.1	19%	0.19	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-36.4	-175.5	-58	173.9	0	0	0	112.5	L597 L710 F711	L597-I707 HydrophobicContact CD1-CG2 4.22Å; I707-L710 WeakPolarHBondContact O-CB 3.42Å; I707-L710 PolarHBondContact O-N 3.43Å; I707-F711 HydrophobicContact CG2-CD2 3.71Å; I707-F711 HydrophobicContact CG2-CE2 3.29Å; I707-F711 HydrophobicContact CG2-CZ 4.31Å; I707-F711 WeakPolarHBondContact O-CD2 3.37Å; I707-F711 PolarHBondContact O-N 3.35Å; I707-F711 VanDerWaalsContact O-N 3.1Å
708	N	88.6	Confident	87.6	Confident	110 Å²	110	53.8 Å²	53.8	59%	0.588	27%	0.274	S	S	*	.	H	α-helix	trans	-70.3	-39.2	-178.9	-68.2	-23.8	0	0	0	111.8	R594 N706 L710 R712	R594-N708 PolarHBondContact NH1-OD1 3.1Å; N706-N708 VanDerWaalsContact C-N 3.28Å; N706-N708 PolarHBondContact O-N 3.42Å; N708-L710 VanDerWaalsContact C-N 3.34Å; N708-R712 PolarHBondContact O-N 3.42Å; N708-R712 VanDerWaalsContact O-N 3.12Å
709	T	89.7	Confident	85.8	Confident	34 Å²	34	56.6 Å²	56.6	21%	0.209	30%	0.297	C	S	.	.	H	α-helix	trans	-68	-39.2	175.2	-56.6	0	0	0	0	110.7	N706 F711 R712 I713	N706-T709 PolarHBondContact ND2-OG1 3.16Å; N706-T709 PolarHBondContact O-N 3.39Å; N706-T709 WeakPolarHBondContact OD1-CB 3.48Å; N706-T709 PolarHBondContact OD1-N 3.15Å; N706-T709 VanDerWaalsContact OD1-N 3.15Å; N706-T709 PolarHBondContact OD1-OG1 2.98Å; T709-F711 PolarHBondContact O-N 2.94Å; T709-R712 PolarHBondContact O-N 3.1Å; T709-I713 HydrophobicContact CG2-CD1 3.85Å; T709-I713 HydrophobicContact CG2-CG1 4.37Å; T709-I713 WeakPolarHBondContact O-CD1 3.02Å; T709-I713 VanDerWaalsContact O-CG1 3.24Å; T709-I713 WeakPolarHBondContact O-CG1 3.31Å; T709-I713 PolarHBondContact O-N 3.15Å
710	L	90.8	Very high	83.8	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-54.2	-52.2	174.1	177.1	66.5	0	0	0	112	L597 C698 A701 I702 N706 I707 N708 R712 I713 M714	L597-L710 HydrophobicContact CD1-CD2 3.72Å; C698-L710 HydrophobicContact CB-CD1 3.66Å; A701-L710 HydrophobicContact CB-CB 3.84Å; A701-L710 HydrophobicContact CB-CD1 4.16Å; I702-L710 HydrophobicContact CD1-CD1 4.25Å; I702-L710 HydrophobicContact CD1-CD2 4.31Å; I702-L710 HydrophobicContact CG1-CD1 4.04Å; I702-L710 HydrophobicContact CG1-CD2 3.8Å; N706-L710 PolarHBondContact O-N 2.91Å; I707-L710 WeakPolarHBondContact O-CB 3.42Å; I707-L710 PolarHBondContact O-N 3.43Å; N708-L710 VanDerWaalsContact C-N 3.34Å; L710-R712 VanDerWaalsContact C-N 3.35Å; L710-R712 PolarHBondContact O-N 3.16Å; L710-I713 PolarHBondContact O-N 3.22Å; L710-M714 HydrophobicContact CD1-CE 3.65Å; L710-M714 HydrophobicContact CD2-CE 3.87Å; L710-M714 HydrophobicContact CG-CE 3.4Å; L710-M714 VanDerWaalsContact CG-CE 3.4Å; L710-M714 PolarHBondContact O-N 3.49Å
711	F	91.8	Very high	81.2	Confident	7 Å²	7	62.2 Å²	62.2	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-66.2	-35.2	178.3	-72.1	-59.4	0	0	0	113.2	F590 L593 R594 L597 I707 T709 I713 M714 R715	F590-F711 HydrophobicContact CB-CD1 3.86Å; F590-F711 HydrophobicContact CB-CE1 3.74Å; F590-F711 AromaticContact CD1-CD1 3.63Å; F590-F711 HydrophobicContact CD1-CD1 3.63Å; F590-F711 AromaticContact CD1-CE1 3.78Å; F590-F711 HydrophobicContact CD1-CE1 3.78Å; F590-F711 HydrophobicContact CE1-CD1 4.36Å; F590-F711 AromaticContact CG-CD1 3.84Å; F590-F711 HydrophobicContact CG-CD1 3.84Å; F590-F711 HydrophobicContact CG-CE1 4.07Å; F590-F711 WeakPolarHBondContact O-CE1 3.42Å; F590-F711 WeakPolarHBondContact O-CZ 3.36Å; L593-F711 HydrophobicContact CB-CE1 4.15Å; L593-F711 HydrophobicContact CB-CZ 4.3Å; L593-F711 HydrophobicContact CD2-CE1 3.84Å; L593-F711 HydrophobicContact CD2-CZ 4.44Å; L593-F711 HydrophobicContact CG-CE1 4.14Å; L593-F711 HydrophobicContact CG-CZ 4.3Å; R594-F711 HydrophobicContact CB-CE2 3.91Å; R594-F711 HydrophobicContact CB-CZ 3.81Å; R594-F711 HydrophobicContact CG-CE2 4.26Å; L597-F711 HydrophobicContact CD1-CZ 4.48Å; I707-F711 HydrophobicContact CG2-CD2 3.71Å; I707-F711 HydrophobicContact CG2-CE2 3.29Å; I707-F711 HydrophobicContact CG2-CZ 4.31Å; I707-F711 WeakPolarHBondContact O-CD2 3.37Å; I707-F711 PolarHBondContact O-N 3.35Å; I707-F711 VanDerWaalsContact O-N 3.1Å; T709-F711 PolarHBondContact O-N 2.94Å; F711-I713 VanDerWaalsContact C-N 3.33Å; F711-M714 HydrophobicContact CD1-CE 4.23Å; F711-M714 HydrophobicContact CE1-CE 4.4Å; F711-M714 PolarHBondContact O-N 3.21Å; F711-R715 WeakPolarHBondContact O-CG 3.32Å; F711-R715 PolarHBondContact O-N 3.06Å
712	R	91.1	Very high	80.9	Confident	96 Å²	96	65.1 Å²	65.1	36%	0.362	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-42.4	174.4	-172.5	-179.4	67.2	160.7	-0.2	111.4	N708 T709 L710 R715 V716 S720	N708-R712 PolarHBondContact O-N 3.42Å; N708-R712 VanDerWaalsContact O-N 3.12Å; T709-R712 PolarHBondContact O-N 3.1Å; L710-R712 VanDerWaalsContact C-N 3.35Å; L710-R712 PolarHBondContact O-N 3.16Å; R712-R715 PolarHBondContact O-N 3.34Å; R712-V716 PolarHBondContact O-N 2.89Å; R712-S720 PolarHBondContact NH1-O 3.36Å; R712-S720 PolarHBondContact NH1-OG 3.07Å; R712-S720 PolarHBondContact NH2-O 3.09Å
713	I	92.5	Very high	80.6	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-62.4	-46.8	175.3	-67.1	159.1	0	0	0	110.1	V694 A697 A701 T709 L710 F711 R715 G717 A719	V694-I713 HydrophobicContact CG1-CG2 4.25Å; V694-I713 HydrophobicContact CG2-CG2 4.39Å; A697-I713 HydrophobicContact CB-CD1 3.87Å; A697-I713 HydrophobicContact CB-CG1 4.43Å; A697-I713 HydrophobicContact CB-CG2 3.96Å; A701-I713 HydrophobicContact CB-CD1 4.14Å; T709-I713 HydrophobicContact CG2-CD1 3.85Å; T709-I713 HydrophobicContact CG2-CG1 4.37Å; T709-I713 WeakPolarHBondContact O-CD1 3.02Å; T709-I713 VanDerWaalsContact O-CG1 3.24Å; T709-I713 WeakPolarHBondContact O-CG1 3.31Å; T709-I713 PolarHBondContact O-N 3.15Å; L710-I713 PolarHBondContact O-N 3.22Å; F711-I713 VanDerWaalsContact C-N 3.33Å; I713-R715 VanDerWaalsContact C-N 3.28Å; I713-R715 PolarHBondContact O-N 2.64Å; I713-G717 WeakPolarHBondContact O-CA 3.42Å; I713-G717 PolarHBondContact O-N 3.47Å; I713-A719 HydrophobicContact CD1-CB 4.08Å; I713-A719 HydrophobicContact CG1-CB 3.99Å
714	M	91.8	Very high	80.4	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.02	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-38.3	178.7	-68.6	-168	-124.1	0	0	112.7	F590 L593 A682 R686 L710 F711	F590-M714 HydrophobicContact CE1-CB 3.92Å; F590-M714 HydrophobicContact CE1-SD 3.96Å; F590-M714 HydrophobicContact CZ-CB 4.04Å; L593-M714 HydrophobicContact CD2-CE 3.64Å; L593-M714 HydrophobicContact CD2-SD 4.1Å; A682-M714 HydrophobicContact CB-CB 4.03Å; A682-M714 HydrophobicContact CB-CG 3.62Å; A682-M714 HydrophobicContact CB-SD 3.89Å; R686-M714 PolarHBondContact NH1-O 3.46Å; R686-M714 PolarHBondContact NH2-O 3.39Å; L710-M714 HydrophobicContact CD1-CE 3.65Å; L710-M714 HydrophobicContact CD2-CE 3.87Å; L710-M714 HydrophobicContact CG-CE 3.4Å; L710-M714 VanDerWaalsContact CG-CE 3.4Å; L710-M714 PolarHBondContact O-N 3.49Å; F711-M714 HydrophobicContact CD1-CE 4.23Å; F711-M714 HydrophobicContact CE1-CE 4.4Å; F711-M714 PolarHBondContact O-N 3.21Å
715	R	92.8	Very high	80	Confident	94 Å²	94	59.6 Å²	59.6	36%	0.355	35%	0.345	S	S	.	.	H	α-helix	trans	-69.1	-55.4	180	-73	179.6	169.8	165.1	-4.4	113.7	A584 D585 F590 R686 F711 R712 I713	A584-R715 PolarHBondContact N-O 2.89Å; A584-R715 WeakPolarHBondContact O-CA 3.38Å; A584-R715 VanDerWaalsContact O-CB 3.31Å; A584-R715 WeakPolarHBondContact O-CB 3.24Å; A584-R715 VanDerWaalsContact O-CG 3.3Å; A584-R715 WeakPolarHBondContact O-CG 3.41Å; D585-R715 IonicContact OD1-CZ 2.63Å; D585-R715 IonicContact OD1-NE 3.57Å; D585-R715 PolarHBondContact OD1-NE 3.23Å; D585-R715 IonicContact OD1-NH2 2.77Å; D585-R715 PolarHBondContact OD1-NH2 2.93Å; D585-R715 IonicContact OD2-NH2 2.7Å; F590-R715 HydrophobicContact CD2-CG 4.42Å; F590-R715 HydrophobicContact CE2-CG 3.63Å; F590-R715 HydrophobicContact CZ-CG 4.14Å; R686-R715 PolarHBondContact NH2-O 3.31Å; F711-R715 WeakPolarHBondContact O-CG 3.32Å; F711-R715 PolarHBondContact O-N 3.06Å; R712-R715 PolarHBondContact O-N 3.34Å; I713-R715 VanDerWaalsContact C-N 3.28Å; I713-R715 PolarHBondContact O-N 2.64Å
716	V	89.4	Confident	79.7	Confident	65 Å²	65	57.4 Å²	57.4	39%	0.394	34%	0.336	S	S	.	.	H	α-helix	trans	-114	-13.2	-167.6	-169.7	0	0	0	0	112.6	Q581 R712 T718	Q581-V716 PolarHBondContact NE2-O 3.36Å; R712-V716 PolarHBondContact O-N 2.89Å; V716-T718 PolarHBondContact O-N 3.17Å
717	G	78.5	Confident	79.1	Confident	11 Å²	11	56.7 Å²	56.7	11%	0.113	33%	0.334	C	S	.	.	S	Bend	trans	75.6	-2.8	178.3	0	0	0	0	0	115.9	I713	I713-G717 WeakPolarHBondContact O-CA 3.42Å; I713-G717 PolarHBondContact O-N 3.47Å
718	T	71.3	Confident	78.5	Confident	78 Å²	78	58.1 Å²	58.1	48%	0.479	34%	0.344	S	S	.	.			trans	-107.9	122.8	176.2	56.2	0	0	0	0	112	V716 S720	V716-T718 PolarHBondContact O-N 3.17Å; T718-S720 VanDerWaalsContact C-N 3.35Å; T718-S720 PolarHBondContact O-N 3.25Å
719	A	53.3	Low	77.8	Confident	59 Å²	59	54.2 Å²	54.2	49%	0.488	33%	0.325	S	S	.	.			trans	-84.1	74.8	161.6	0	0	0	0	0	109	I713 S721	I713-A719 HydrophobicContact CD1-CB 4.08Å; I713-A719 HydrophobicContact CG1-CB 3.99Å; A719-S721 PolarHBondContact O-N 3.18Å
720	S	42.5	Very low	76.8	Confident	65 Å²	65	55.8 Å²	55.8	46%	0.455	34%	0.335	S	S	.	.			trans	-73.4	120	173.1	64.4	0	0	0	0	109.7	R712 T718	R712-S720 PolarHBondContact NH1-O 3.36Å; R712-S720 PolarHBondContact NH1-OG 3.07Å; R712-S720 PolarHBondContact NH2-O 3.09Å; T718-S720 VanDerWaalsContact C-N 3.35Å; T718-S720 PolarHBondContact O-N 3.25Å
721	S	35.4	Very low	75.5	Confident	185 Å²	185	60.5 Å²	60.5	100%	1.294	36%	0.364	S	S	*	.			trans	-1.6	0	162.1	58.4	0	0	0	0	117.7	A719	A719-S721 PolarHBondContact O-N 3.18Å

Retrieved 721 of 721 residues in 235.4 ms (Link to these results)

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