A0A096NDE1_PAPAN Loading...

Heterogeneous nuclear ribonucleoprotein U

AlphaFold DB (F6R0Z9), UniProt , Accession A0A096NDE1, Species PAPAN (Papio anubis, Olive baboon), Gene HNRNPU, Length 825 aa.

						>A0A096NDE1_PAPAN|A0A096NDE1|HNRNPU
MSSSPVNVKKLKVSELKEELKKRRLSDKGLKAELMERLQAALDDEEAGGRPAMEPGNGSLDLGGDSAGRSGAGLEQEAAVGGDEEEEEEEEEEEGISALDGDQMELGEENGAAGAADSGPMEEEEAASEDENGDDQGFQEGEDELGDEEEGAGDENGHGEQQPQPPATQQQQTQQQRGAAKEAAGKSSGPTSLFAVTVAPPGARQGQQQAGGKKKAEGGGGGGRPGAPAAGDGKTEQKGGDKKRGVKRPREDHGRGYFEYIEENKYSRAKSPQPPVEEEDEHFDDTVVCLDTYNCDLHFKISRDRLSASSLTMESFAFLWAGGRASYGVSKGKVCFEMKVTEKIPVRHLYTKDIDIHEVRIGWSLTTSGMLLGEEEFSYGYSLKGIKTCNCETEDYGEKFDENDVITCFANFESDEVELSYAKNGQDLGIAFKISKEVLAGRPLFPHVLCHNCAVEFNFGQKEKPYFPIPEEYTFIQNVPLEDRVRGPKGPEEKKDCEVVMMIGLPGAGKTTWVTKHAAENPGKYNILGTNTIMDKMMVAGFKKQMADTGKLNTLLQRAPQCLGKFIEIAARKKRNFILDQTNVSAAAQRRKMCLFAGFQRKAVVVCPKDEDYKQRTQKKAEVEGKDLPEHAVLKMKGNFTLPEVAECFDEITYVELQKEEAQKLLEQYKEESKKALPPEKKQNTGSKKSNKNKSGKNQFNRGGGHRGRGGFNMRGGNFRGGAPGNRGGYNRRGNMPQRGGGGGGSGGIGYPYPRAPVFPGRGSYSNRGNYNRGGMPNRGNYNQNFRGRGNNRGYKNQSQGYNQWQQGQFWGQKPWSQHYHQGYY
					

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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	37	Very low	65.3	Low	245 Å²	245	111 Å²	111	100%	1.207	62%	0.618	S	S	*	*				0	130.2	0	-68.5	170	172.8	0	0	106.3	S3	M1-S3 PolarHBondContact O-N 2.72Å
2	S	33.6	Very low	67.4	Low	127 Å²	127	112.7 Å²	112.7	89%	0.888	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-80.4	116.2	178.9	176.6	0	0	0	0	109.4
3	S	40.7	Very low	69.2	Low	103 Å²	103	108.9 Å²	108.9	72%	0.72	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-85.1	135.8	161.7	46.2	0	0	0	0	108.7	M1	M1-S3 PolarHBondContact O-N 2.72Å
4	S	47.5	Very low	70.6	Confident	103 Å²	103	105.7 Å²	105.7	72%	0.72	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-57.5	143.1	171.1	-50.8	0	0	0	0	110.6	V6	S4-V6 PolarHBondContact O-N 2.65Å
5	P	61.3	Low	71.9	Confident	121 Å²	121	102.3 Å²	102.3	79%	0.786	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-59.5	127.5	-177.5	23	-33.3	0	0	0	111	N7	P5-N7 PolarHBondContact O-N 2.79Å
6	V	74.3	Confident	73.1	Confident	53 Å²	53	95.9 Å²	95.9	32%	0.321	53%	0.529	S	S	.	.			trans	-74.9	105.7	-177.2	174.8	0	0	0	0	108.6	S4 V8 L11 L42	S4-V6 PolarHBondContact O-N 2.65Å; V6-V8 PolarHBondContact O-N 2.64Å; V6-L11 HydrophobicContact CG1-CD1 3.77Å; V6-L11 HydrophobicContact CG1-CG 4.48Å; V6-L42 HydrophobicContact CB-CD1 4.22Å
7	N	82.9	Confident	74.2	Confident	86 Å²	86	93.8 Å²	93.8	46%	0.46	51%	0.513	S	S	.	.			trans	-73.2	88.4	-179.7	-169.1	-66.2	0	0	0	110.7	P5 K9 K10	P5-N7 PolarHBondContact O-N 2.79Å; N7-K9 VanDerWaalsContact C-N 3.28Å; N7-K9 PolarHBondContact O-N 3.37Å; N7-K10 HydrophobicContact CB-CB 4.46Å; N7-K10 HydrophobicContact CB-CD 4.39Å; N7-K10 PolarHBondContact O-N 3.02Å; N7-K10 WeakPolarHBondContact OD1-CG 3.2Å; N7-K10 PolarHBondContact OD1-N 3.36Å
8	V	84.9	Confident	75.2	Confident	2 Å²	2	95 Å²	95	1%	0.012	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-51.6	-43.1	-174.4	179.5	0	0	0	0	112.6	V6 K10 L11 L16 M35 L38 Q39 L42	V6-V8 PolarHBondContact O-N 2.64Å; V8-K10 PolarHBondContact O-N 3.38Å; V8-L11 WeakPolarHBondContact O-CB 3.15Å; V8-L11 PolarHBondContact O-N 3.28Å; V8-L16 HydrophobicContact CG1-CD2 3.74Å; V8-M35 HydrophobicContact CG1-CB 3.7Å; V8-M35 HydrophobicContact CG1-CG 3.89Å; V8-M35 WeakPolarHBondContact CG1-O 3.41Å; V8-L38 HydrophobicContact CG1-CB 4.36Å; V8-L38 HydrophobicContact CG1-CD2 4.34Å; V8-L38 HydrophobicContact CG2-CD2 4.2Å; V8-L38 HydrophobicContact CG2-CG 4.14Å; V8-Q39 HydrophobicContact CG2-CB 4.45Å; V8-L42 HydrophobicContact CG2-CD1 3.46Å; V8-L42 VanDerWaalsContact CG2-CD1 3.46Å
9	K	84.8	Confident	75.9	Confident	174 Å²	174	92 Å²	92	76%	0.757	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-58.8	-30.2	179.9	-66.1	-170.5	177	-172.6	0	113	N7	N7-K9 VanDerWaalsContact C-N 3.28Å; N7-K9 PolarHBondContact O-N 3.37Å
10	K	85.8	Confident	76.7	Confident	172 Å²	172	87.4 Å²	87.4	75%	0.748	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-86.4	-6.3	179.7	-70.9	176	-177.4	177.3	0	114.4	N7 V8	N7-K10 HydrophobicContact CB-CB 4.46Å; N7-K10 HydrophobicContact CB-CD 4.39Å; N7-K10 PolarHBondContact O-N 3.02Å; N7-K10 WeakPolarHBondContact OD1-CG 3.2Å; N7-K10 PolarHBondContact OD1-N 3.36Å; V8-K10 PolarHBondContact O-N 3.38Å
11	L	86.2	Confident	77.3	Confident	35 Å²	35	89.2 Å²	89.2	18%	0.183	48%	0.475	C	S	.	.			trans	-78.6	149.2	178	-62.9	-177.1	0	0	0	112.9	V6 V8 E15 L16 K31 L38	V6-L11 HydrophobicContact CG1-CD1 3.77Å; V6-L11 HydrophobicContact CG1-CG 4.48Å; V8-L11 WeakPolarHBondContact O-CB 3.15Å; V8-L11 PolarHBondContact O-N 3.28Å; L11-E15 HydrophobicContact CB-CB 4.17Å; L11-E15 HydrophobicContact CD2-CB 4.15Å; L11-L16 HydrophobicContact CB-CD2 3.83Å; L11-L16 HydrophobicContact CB-CG 3.87Å; L11-L16 HydrophobicContact CD1-CD2 3.93Å; L11-L16 HydrophobicContact CG-CD2 4.47Å; L11-K31 WeakPolarHBondContact O-CE 3.43Å; L11-K31 PolarHBondContact O-NZ 3.02Å; L11-K31 VanDerWaalsContact O-NZ 3.15Å; L11-L38 HydrophobicContact CD1-CD2 3.97Å
12	K	90.4	Very high	79.8	Confident	131 Å²	131	84.2 Å²	84.2	57%	0.57	45%	0.447	S	S	*	.			trans	-81	160.9	168.9	-54.3	-170.2	-158.8	83.7	0	110.9	S14 E15 L16	K12-S14 PolarHBondContact O-N 3.04Å; K12-S14 VanDerWaalsContact O-N 3.17Å; K12-E15 HydrophobicContact CB-CG 4.39Å; K12-E15 WeakPolarHBondContact CG-OE1 3.44Å; K12-E15 PolarHBondContact N-OE2 3.23Å; K12-E15 IonicContact NZ-OE1 2.73Å; K12-E15 PolarHBondContact NZ-OE1 2.9Å; K12-E15 PolarHBondContact O-N 3.41Å; K12-L16 WeakPolarHBondContact O-CG 3.08Å; K12-L16 PolarHBondContact O-N 2.81Å
13	V	89.7	Confident	82.4	Confident	64 Å²	64	81.1 Å²	81.1	39%	0.388	42%	0.416	S	S	.	.	H	α-helix	trans	-56.6	-33.8	-179.9	-177.3	0	0	0	0	113	K17 K31 L34	V13-K17 HydrophobicContact CG1-CD 4.39Å; V13-K17 VanDerWaalsContact O-CG 3.3Å; V13-K17 WeakPolarHBondContact O-CG 3.46Å; V13-K17 PolarHBondContact O-N 2.98Å; V13-K31 HydrophobicContact CG2-CB 4.17Å; V13-K31 HydrophobicContact CG2-CD 4.24Å; V13-K31 HydrophobicContact CG2-CG 3.95Å; V13-L34 HydrophobicContact CG1-CD1 4.18Å
14	S	88.9	Confident	84.8	Confident	64 Å²	64	87.5 Å²	87.5	45%	0.448	42%	0.424	S	S	.	.	H	α-helix	trans	-65.2	-48.5	173.4	48.5	0	0	0	0	112.3	K12 L16 K17 E18	K12-S14 PolarHBondContact O-N 3.04Å; K12-S14 VanDerWaalsContact O-N 3.17Å; S14-L16 PolarHBondContact O-N 3.2Å; S14-K17 PolarHBondContact O-N 2.94Å; S14-E18 WeakPolarHBondContact O-CG 3.4Å; S14-E18 PolarHBondContact O-N 2.98Å
15	E	90.3	Very high	86.7	Confident	55 Å²	55	85.8 Å²	85.8	26%	0.257	41%	0.406	S	S	.	.	H	α-helix	trans	-65.8	-39.1	-177.4	-63	149.5	-162.1	0	0	110.8	L11 K12 E18 E19	L11-E15 HydrophobicContact CB-CB 4.17Å; L11-E15 HydrophobicContact CD2-CB 4.15Å; K12-E15 HydrophobicContact CB-CG 4.39Å; K12-E15 WeakPolarHBondContact CG-OE1 3.44Å; K12-E15 PolarHBondContact N-OE2 3.23Å; K12-E15 IonicContact NZ-OE1 2.73Å; K12-E15 PolarHBondContact NZ-OE1 2.9Å; K12-E15 PolarHBondContact O-N 3.41Å; E15-E18 PolarHBondContact O-N 2.82Å; E15-E19 PolarHBondContact O-N 2.72Å
16	L	90.9	Very high	88	Confident	0 Å²	0	83 Å²	83	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-59.5	-48	171.9	-68.4	168.9	0	0	0	112.1	V8 L11 K12 S14 E18 E19 L20 K31 L34 M35 L38	V8-L16 HydrophobicContact CG1-CD2 3.74Å; L11-L16 HydrophobicContact CB-CD2 3.83Å; L11-L16 HydrophobicContact CB-CG 3.87Å; L11-L16 HydrophobicContact CD1-CD2 3.93Å; L11-L16 HydrophobicContact CG-CD2 4.47Å; K12-L16 WeakPolarHBondContact O-CG 3.08Å; K12-L16 PolarHBondContact O-N 2.81Å; S14-L16 PolarHBondContact O-N 3.2Å; L16-E18 VanDerWaalsContact C-N 3.29Å; L16-E18 PolarHBondContact O-N 2.66Å; L16-E19 PolarHBondContact O-N 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.25Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.42Å; L16-L20 PolarHBondContact O-N 3.34Å; L16-K31 HydrophobicContact CD1-CD 4.47Å; L16-K31 HydrophobicContact CD1-CG 3.81Å; L16-L34 HydrophobicContact CB-CB 4.33Å; L16-L34 HydrophobicContact CD1-CB 4.39Å; L16-M35 HydrophobicContact CD1-CG 3.5Å; L16-M35 VanDerWaalsContact CD1-CG 3.5Å; L16-M35 HydrophobicContact CD1-SD 4.45Å; L16-M35 HydrophobicContact CD2-CG 3.89Å; L16-M35 HydrophobicContact CG-CG 4.37Å; L16-L38 HydrophobicContact CD2-CD2 3.75Å
17	K	92.3	Very high	88.7	Confident	59 Å²	59	82.4 Å²	82.4	26%	0.257	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-30.2	179	-71.1	179.8	-172.1	-111.1	0	112.7	V13 S14 K21 D27 L34	V13-K17 HydrophobicContact CG1-CD 4.39Å; V13-K17 VanDerWaalsContact O-CG 3.3Å; V13-K17 WeakPolarHBondContact O-CG 3.46Å; V13-K17 PolarHBondContact O-N 2.98Å; S14-K17 PolarHBondContact O-N 2.94Å; K17-K21 WeakPolarHBondContact O-CB 3.42Å; K17-K21 WeakPolarHBondContact O-CG 3.03Å; K17-K21 PolarHBondContact O-N 3.22Å; K17-K21 VanDerWaalsContact O-N 3.08Å; K17-D27 HydrophobicContact CB-CB 4Å; K17-D27 HydrophobicContact CD-CB 4.43Å; K17-D27 WeakPolarHBondContact CE-O 3.3Å; K17-D27 HydrophobicContact CG-CB 3.95Å; K17-D27 PolarHBondContact NZ-O 2.88Å; K17-L34 HydrophobicContact CG-CD1 4.05Å; K17-L34 HydrophobicContact CG-CD2 4.37Å
18	E	92.5	Very high	89	Confident	116 Å²	116	85.8 Å²	85.8	54%	0.542	40%	0.396	S	S	.	.	H	α-helix	trans	-72.2	-44.6	174.2	-75.3	173.7	-154.9	0	0	112.2	S14 E15 L16 K21 K22	S14-E18 WeakPolarHBondContact O-CG 3.4Å; S14-E18 PolarHBondContact O-N 2.98Å; E15-E18 PolarHBondContact O-N 2.82Å; L16-E18 VanDerWaalsContact C-N 3.29Å; L16-E18 PolarHBondContact O-N 2.66Å; E18-K21 PolarHBondContact O-N 2.94Å; E18-K22 WeakPolarHBondContact O-CG 3.45Å; E18-K22 PolarHBondContact O-N 2.87Å
19	E	88.1	Confident	89.1	Confident	38 Å²	38	87.4 Å²	87.4	18%	0.178	41%	0.413	C	S	.	.	H	α-helix	trans	-66.2	-37.9	175.6	-75.3	-58.7	132.2	0	0	113	E15 L16 K22 R23 L38	E15-E19 PolarHBondContact O-N 2.72Å; L16-E19 PolarHBondContact O-N 3.25Å; E19-K22 PolarHBondContact O-N 3.33Å; E19-K22 WeakPolarHBondContact OE1-CD 3.46Å; E19-K22 IonicContact OE1-NZ 3.69Å; E19-K22 PolarHBondContact OE1-NZ 3.36Å; E19-R23 PolarHBondContact O-N 2.64Å; E19-R23 IonicContact OE2-CZ 2.75Å; E19-R23 IonicContact OE2-NH1 3.87Å; E19-R23 PolarHBondContact OE2-NH1 2.84Å; E19-L38 HydrophobicContact CB-CD1 3.76Å; E19-L38 HydrophobicContact CB-CD2 3.64Å; E19-L38 HydrophobicContact CB-CG 4.38Å; E19-L38 HydrophobicContact CG-CD2 4.33Å
20	L	92.2	Very high	89.4	Confident	0 Å²	0	85.4 Å²	85.4	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-62.7	-42.9	171.4	-73.8	166.2	0	0	0	111.5	L16 K22 R23 R24 L25 L34 R37 L38	L16-L20 WeakPolarHBondContact O-CB 3.25Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.42Å; L16-L20 PolarHBondContact O-N 3.34Å; L20-K22 PolarHBondContact O-N 3.32Å; L20-R23 CarbonylContact O-C 3.54Å; L20-R23 WeakPolarHBondContact O-CA 3.37Å; L20-R23 PolarHBondContact O-N 3.41Å; L20-R23 VanDerWaalsContact O-N 3.13Å; L20-R24 PolarHBondContact O-N 3.02Å; L20-L25 HydrophobicContact CB-CB 4.29Å; L20-L25 HydrophobicContact CD2-CB 3.72Å; L20-L25 HydrophobicContact CD2-CD1 3.93Å; L20-L25 HydrophobicContact CD2-CG 4.49Å; L20-L25 PolarHBondContact O-N 2.92Å; L20-L34 HydrophobicContact CD1-CB 4.04Å; L20-L34 HydrophobicContact CD1-CD2 3.44Å; L20-L34 VanDerWaalsContact CD1-CD2 3.44Å; L20-L34 HydrophobicContact CD1-CG 4.35Å; L20-R37 HydrophobicContact CD2-CB 4.11Å; L20-R37 HydrophobicContact CD2-CG 3.92Å; L20-L38 HydrophobicContact CD2-CB 3.98Å; L20-L38 HydrophobicContact CD2-CD1 4.42Å; L20-L38 HydrophobicContact CG-CB 4.2Å
21	K	90.1	Very high	89.5	Confident	125 Å²	125	81.1 Å²	81.1	54%	0.543	39%	0.391	S	S	.	.	H	α-helix	trans	-64.1	-37.6	175.7	-83.2	174	178.5	158.2	0	113.3	K17 E18 R23 R24 D27	K17-K21 WeakPolarHBondContact O-CB 3.42Å; K17-K21 WeakPolarHBondContact O-CG 3.03Å; K17-K21 PolarHBondContact O-N 3.22Å; K17-K21 VanDerWaalsContact O-N 3.08Å; E18-K21 PolarHBondContact O-N 2.94Å; K21-R23 PolarHBondContact O-N 2.74Å; K21-R24 PolarHBondContact O-N 2.97Å; K21-D27 WeakPolarHBondContact CE-OD2 3.07Å; K21-D27 HydrophobicContact CG-CB 4.37Å; K21-D27 IonicContact NZ-OD2 3.36Å; K21-D27 PolarHBondContact NZ-OD2 2.76Å
22	K	89.4	Confident	89.6	Confident	141 Å²	141	82.6 Å²	82.6	61%	0.613	41%	0.408	S	S	*	.	H	α-helix	trans	-58.9	-37.9	172.3	-70.2	169.3	-164.1	173.4	0	111.5	E18 E19 L20 R24	E18-K22 WeakPolarHBondContact O-CG 3.45Å; E18-K22 PolarHBondContact O-N 2.87Å; E19-K22 PolarHBondContact O-N 3.33Å; E19-K22 WeakPolarHBondContact OE1-CD 3.46Å; E19-K22 IonicContact OE1-NZ 3.69Å; E19-K22 PolarHBondContact OE1-NZ 3.36Å; L20-K22 PolarHBondContact O-N 3.32Å; K22-R24 VanDerWaalsContact C-N 3.33Å
23	R	87.9	Confident	89.5	Confident	61 Å²	61	79.6 Å²	79.6	23%	0.23	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	3.3	175.4	-67.8	178.4	175.9	74.8	6.4	114.6	E19 L20 K21 L25 E45	E19-R23 PolarHBondContact O-N 2.64Å; E19-R23 IonicContact OE2-CZ 2.75Å; E19-R23 IonicContact OE2-NH1 3.87Å; E19-R23 PolarHBondContact OE2-NH1 2.84Å; L20-R23 CarbonylContact O-C 3.54Å; L20-R23 WeakPolarHBondContact O-CA 3.37Å; L20-R23 PolarHBondContact O-N 3.41Å; L20-R23 VanDerWaalsContact O-N 3.13Å; K21-R23 PolarHBondContact O-N 2.74Å; R23-L25 HydrophobicContact CB-CD1 3.91Å; R23-L25 HydrophobicContact CB-CG 4.17Å; R23-L25 PolarHBondContact O-N 2.92Å; R23-E45 WeakPolarHBondContact CD-OE1 3.3Å; R23-E45 IonicContact CZ-OE1 3.61Å; R23-E45 IonicContact CZ-OE2 3.03Å; R23-E45 IonicContact NE-OE1 3.39Å; R23-E45 PolarHBondContact NE-OE1 2.8Å; R23-E45 IonicContact NE-OE2 3.63Å; R23-E45 PolarHBondContact NE-OE2 3.11Å; R23-E45 VanDerWaalsContact NE-OE2 3.09Å; R23-E45 IonicContact NH2-OE1 2.74Å; R23-E45 IonicContact NH2-OE2 3.64Å; R23-E45 PolarHBondContact NH2-OE2 2.93Å
24	R	90.3	Very high	89.6	Confident	238 Å²	238	76.6 Å²	76.6	90%	0.898	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	24.1	-176.1	-54.5	-178.3	175.2	-168.5	-2.5	114.8	L20 K21 K22	L20-R24 PolarHBondContact O-N 3.02Å; K21-R24 PolarHBondContact O-N 2.97Å; K22-R24 VanDerWaalsContact C-N 3.33Å
25	L	87.1	Confident	89.7	Confident	66 Å²	66	75.7 Å²	75.7	35%	0.346	37%	0.367	S	S	.	.			trans	-91	158.9	178	-66.4	167.5	0	0	0	111.8	L20 R23 D27 A41	L20-L25 HydrophobicContact CB-CB 4.29Å; L20-L25 HydrophobicContact CD2-CB 3.72Å; L20-L25 HydrophobicContact CD2-CD1 3.93Å; L20-L25 HydrophobicContact CD2-CG 4.49Å; L20-L25 PolarHBondContact O-N 2.92Å; R23-L25 HydrophobicContact CB-CD1 3.91Å; R23-L25 HydrophobicContact CB-CG 4.17Å; R23-L25 PolarHBondContact O-N 2.92Å; L25-D27 PolarHBondContact O-N 3.22Å; L25-A41 HydrophobicContact CD1-CB 3.38Å
26	S	88.5	Confident	89.7	Confident	62 Å²	62	79.8 Å²	79.8	43%	0.434	39%	0.386	S	S	.	.			trans	-62	124.5	-178.7	-179.6	0	0	0	0	112.2	K28 R37	S26-K28 VanDerWaalsContact C-N 3.33Å; S26-K28 PolarHBondContact OG-N 2.91Å; S26-R37 PolarHBondContact O-NH1 3.09Å
27	D	90.1	Very high	89.8	Confident	41 Å²	41	83.1 Å²	83.1	22%	0.219	40%	0.399	C	S	.	.			trans	-90.5	8.7	175.8	85.3	-47.1	0	0	0	113.3	K17 K21 L25	K17-D27 HydrophobicContact CB-CB 4Å; K17-D27 HydrophobicContact CD-CB 4.43Å; K17-D27 WeakPolarHBondContact CE-O 3.3Å; K17-D27 HydrophobicContact CG-CB 3.95Å; K17-D27 PolarHBondContact NZ-O 2.88Å; K21-D27 WeakPolarHBondContact CE-OD2 3.07Å; K21-D27 HydrophobicContact CG-CB 4.37Å; K21-D27 IonicContact NZ-OD2 3.36Å; K21-D27 PolarHBondContact NZ-OD2 2.76Å; L25-D27 PolarHBondContact O-N 3.22Å
28	K	87.6	Confident	89.8	Confident	158 Å²	158	80.3 Å²	80.3	69%	0.687	39%	0.386	S	S	*	.			trans	-90.3	150.6	175.3	-63.1	178.4	-177.3	178.3	0	110.8	S26 R37	S26-K28 VanDerWaalsContact C-N 3.33Å; S26-K28 PolarHBondContact OG-N 2.91Å; K28-R37 PolarHBondContact O-NH1 3.08Å
29	G	89	Confident	89.6	Confident	36 Å²	36	78.1 Å²	78.1	37%	0.371	38%	0.376	S	S	.	.	S	Bend	trans	124.7	170.1	-177.1	0	0	0	0	0	114.3	E33	G29-E33 VanDerWaalsContact CA-CD 3.45Å; G29-E33 VanDerWaalsContact CA-OE1 3.3Å; G29-E33 WeakPolarHBondContact CA-OE1 3.47Å; G29-E33 WeakPolarHBondContact CA-OE2 3.45Å
30	L	89.3	Confident	89.6	Confident	132 Å²	132	78.6 Å²	78.6	69%	0.691	39%	0.387	S	S	*	.			trans	-70.9	169.4	168.4	-67.6	174.4	0	0	0	111.5	A32 E33 L34	L30-A32 VanDerWaalsContact C-N 3.27Å; L30-A32 PolarHBondContact O-N 2.74Å; L30-E33 PolarHBondContact N-OE1 2.85Å; L30-E33 PolarHBondContact O-N 2.91Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.28Å; L30-L34 PolarHBondContact O-N 3Å; L30-L34 VanDerWaalsContact O-N 3.16Å
31	K	89.2	Confident	89.4	Confident	82 Å²	82	79.3 Å²	79.3	36%	0.357	39%	0.393	S	S	.	.	H	α-helix	trans	-59.1	-39.3	-178.8	-166.9	-169.2	-178.1	-148.5	0	111.8	L11 V13 L16 L34 M35	L11-K31 WeakPolarHBondContact O-CE 3.43Å; L11-K31 PolarHBondContact O-NZ 3.02Å; L11-K31 VanDerWaalsContact O-NZ 3.15Å; V13-K31 HydrophobicContact CG2-CB 4.17Å; V13-K31 HydrophobicContact CG2-CD 4.24Å; V13-K31 HydrophobicContact CG2-CG 3.95Å; L16-K31 HydrophobicContact CD1-CD 4.47Å; L16-K31 HydrophobicContact CD1-CG 3.81Å; K31-L34 PolarHBondContact O-N 2.88Å; K31-M35 HydrophobicContact CD-CE 4.21Å; K31-M35 HydrophobicContact CD-SD 4.04Å; K31-M35 VanDerWaalsContact CE-SD 3.5Å; K31-M35 HydrophobicContact CG-CE 4.1Å; K31-M35 HydrophobicContact CG-CG 4.25Å; K31-M35 HydrophobicContact CG-SD 4.1Å; K31-M35 PolarHBondContact NZ-SD 2.89Å; K31-M35 WeakPolarHBondContact O-CG 3.41Å; K31-M35 PolarHBondContact O-N 3.15Å
32	A	87.6	Confident	89.3	Confident	65 Å²	65	74.7 Å²	74.7	54%	0.537	37%	0.374	S	S	.	.	H	α-helix	trans	-56.3	-58.9	178.7	0	0	0	0	0	111.5	L30 L34 M35 E36	L30-A32 VanDerWaalsContact C-N 3.27Å; L30-A32 PolarHBondContact O-N 2.74Å; A32-L34 PolarHBondContact O-N 2.95Å; A32-M35 WeakPolarHBondContact O-CA 3.43Å; A32-M35 WeakPolarHBondContact O-CB 3.44Å; A32-M35 PolarHBondContact O-N 2.8Å; A32-E36 WeakPolarHBondContact O-CB 3.45Å; A32-E36 PolarHBondContact O-N 3.09Å
33	E	87.7	Confident	88.8	Confident	69 Å²	69	71.6 Å²	71.6	32%	0.322	36%	0.364	S	S	.	.	H	α-helix	trans	-54	-38.7	177.1	-58.8	167.8	-118.5	0	0	113.3	G29 L30 R37	G29-E33 VanDerWaalsContact CA-CD 3.45Å; G29-E33 VanDerWaalsContact CA-OE1 3.3Å; G29-E33 WeakPolarHBondContact CA-OE1 3.47Å; G29-E33 WeakPolarHBondContact CA-OE2 3.45Å; L30-E33 PolarHBondContact N-OE1 2.85Å; L30-E33 PolarHBondContact O-N 2.91Å; E33-R37 WeakPolarHBondContact O-CB 3.33Å; E33-R37 PolarHBondContact O-N 3.4Å; E33-R37 IonicContact OE2-NH2 3.65Å; E33-R37 PolarHBondContact OE2-NH2 3.02Å
34	L	91.9	Very high	88.4	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-73.9	-28.3	-179.9	-64.9	168.2	0	0	0	112.4	V13 L16 K17 L20 L30 K31 A32 L38	V13-L34 HydrophobicContact CG1-CD1 4.18Å; L16-L34 HydrophobicContact CB-CB 4.33Å; L16-L34 HydrophobicContact CD1-CB 4.39Å; K17-L34 HydrophobicContact CG-CD1 4.05Å; K17-L34 HydrophobicContact CG-CD2 4.37Å; L20-L34 HydrophobicContact CD1-CB 4.04Å; L20-L34 HydrophobicContact CD1-CD2 3.44Å; L20-L34 VanDerWaalsContact CD1-CD2 3.44Å; L20-L34 HydrophobicContact CD1-CG 4.35Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.28Å; L30-L34 PolarHBondContact O-N 3Å; L30-L34 VanDerWaalsContact O-N 3.16Å; K31-L34 PolarHBondContact O-N 2.88Å; A32-L34 PolarHBondContact O-N 2.95Å; L34-L38 WeakPolarHBondContact O-CB 3.27Å; L34-L38 PolarHBondContact O-N 3.2Å
35	M	90.8	Very high	87.9	Confident	46 Å²	46	67.5 Å²	67.5	23%	0.227	36%	0.361	C	S	.	.	H	α-helix	trans	-75.6	-49.4	171	-70.4	-175.9	-54.4	0	0	110.4	V8 L16 K31 A32 R37 L38 Q39	V8-M35 HydrophobicContact CG1-CB 3.7Å; V8-M35 HydrophobicContact CG1-CG 3.89Å; V8-M35 WeakPolarHBondContact CG1-O 3.41Å; L16-M35 HydrophobicContact CD1-CG 3.5Å; L16-M35 VanDerWaalsContact CD1-CG 3.5Å; L16-M35 HydrophobicContact CD1-SD 4.45Å; L16-M35 HydrophobicContact CD2-CG 3.89Å; L16-M35 HydrophobicContact CG-CG 4.37Å; K31-M35 HydrophobicContact CD-CE 4.21Å; K31-M35 HydrophobicContact CD-SD 4.04Å; K31-M35 VanDerWaalsContact CE-SD 3.5Å; K31-M35 HydrophobicContact CG-CE 4.1Å; K31-M35 HydrophobicContact CG-CG 4.25Å; K31-M35 HydrophobicContact CG-SD 4.1Å; K31-M35 PolarHBondContact NZ-SD 2.89Å; K31-M35 WeakPolarHBondContact O-CG 3.41Å; K31-M35 PolarHBondContact O-N 3.15Å; A32-M35 WeakPolarHBondContact O-CA 3.43Å; A32-M35 WeakPolarHBondContact O-CB 3.44Å; A32-M35 PolarHBondContact O-N 2.8Å; M35-R37 PolarHBondContact O-N 2.91Å; M35-L38 PolarHBondContact O-N 2.72Å; M35-Q39 WeakPolarHBondContact O-CB 3.27Å; M35-Q39 PolarHBondContact O-N 2.8Å
36	E	91.3	Very high	87.1	Confident	141 Å²	141	72.2 Å²	72.2	66%	0.659	38%	0.381	S	S	*	.	H	α-helix	trans	-55.8	-50.2	177.7	-177.7	-178.4	-162	0	0	111.8	A32 L38 Q39 A40	A32-E36 WeakPolarHBondContact O-CB 3.45Å; A32-E36 PolarHBondContact O-N 3.09Å; E36-L38 VanDerWaalsContact C-N 3.29Å; E36-L38 PolarHBondContact O-N 2.64Å; E36-Q39 PolarHBondContact O-N 3.23Å; E36-A40 WeakPolarHBondContact O-CB 3.32Å; E36-A40 PolarHBondContact O-N 2.76Å
37	R	92.7	Very high	85.7	Confident	69 Å²	69	73.3 Å²	73.3	26%	0.26	39%	0.394	S	S	.	.	H	α-helix	trans	-66.4	-27	179.3	-167.3	-179.9	-55.4	130.2	10.5	113.6	L20 S26 K28 E33 M35 A41	L20-R37 HydrophobicContact CD2-CB 4.11Å; L20-R37 HydrophobicContact CD2-CG 3.92Å; S26-R37 PolarHBondContact O-NH1 3.09Å; K28-R37 PolarHBondContact O-NH1 3.08Å; E33-R37 WeakPolarHBondContact O-CB 3.33Å; E33-R37 PolarHBondContact O-N 3.4Å; E33-R37 IonicContact OE2-NH2 3.65Å; E33-R37 PolarHBondContact OE2-NH2 3.02Å; M35-R37 PolarHBondContact O-N 2.91Å; R37-A41 WeakPolarHBondContact O-CB 3.15Å; R37-A41 PolarHBondContact O-N 2.94Å
38	L	91.6	Very high	84.2	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-83	-35.4	173.6	-178	60.5	0	0	0	111.6	V8 L11 L16 E19 L20 L34 M35 E36 A41 L42	V8-L38 HydrophobicContact CG1-CB 4.36Å; V8-L38 HydrophobicContact CG1-CD2 4.34Å; V8-L38 HydrophobicContact CG2-CD2 4.2Å; V8-L38 HydrophobicContact CG2-CG 4.14Å; L11-L38 HydrophobicContact CD1-CD2 3.97Å; L16-L38 HydrophobicContact CD2-CD2 3.75Å; E19-L38 HydrophobicContact CB-CD1 3.76Å; E19-L38 HydrophobicContact CB-CD2 3.64Å; E19-L38 HydrophobicContact CB-CG 4.38Å; E19-L38 HydrophobicContact CG-CD2 4.33Å; L20-L38 HydrophobicContact CD2-CB 3.98Å; L20-L38 HydrophobicContact CD2-CD1 4.42Å; L20-L38 HydrophobicContact CG-CB 4.2Å; L34-L38 WeakPolarHBondContact O-CB 3.27Å; L34-L38 PolarHBondContact O-N 3.2Å; M35-L38 PolarHBondContact O-N 2.72Å; E36-L38 VanDerWaalsContact C-N 3.29Å; E36-L38 PolarHBondContact O-N 2.64Å; L38-A41 PolarHBondContact O-N 3.39Å; L38-L42 HydrophobicContact CD1-CD1 4.46Å; L38-L42 HydrophobicContact CG-CD1 4.13Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.46Å; L38-L42 PolarHBondContact O-N 2.82Å
39	Q	89.6	Confident	81.9	Confident	71 Å²	71	69.3 Å²	69.3	33%	0.332	41%	0.408	S	S	.	.	H	α-helix	trans	-66.3	-52	176.4	-169	62.8	64.6	0	0	109.8	V8 M35 E36 A41 L42 D43	V8-Q39 HydrophobicContact CG2-CB 4.45Å; M35-Q39 WeakPolarHBondContact O-CB 3.27Å; M35-Q39 PolarHBondContact O-N 2.8Å; E36-Q39 PolarHBondContact O-N 3.23Å; Q39-A41 PolarHBondContact O-N 3.01Å; Q39-L42 CarbonylContact O-C 3.53Å; Q39-L42 WeakPolarHBondContact O-CA 3.45Å; Q39-L42 WeakPolarHBondContact O-CB 3.34Å; Q39-L42 PolarHBondContact O-N 3.41Å; Q39-D43 PolarHBondContact NE2-OD1 3.25Å; Q39-D43 WeakPolarHBondContact O-CB 3.15Å; Q39-D43 PolarHBondContact O-N 2.81Å
40	A	88.6	Confident	79.5	Confident	48 Å²	48	79.4 Å²	79.4	40%	0.397	43%	0.434	S	S	.	.	H	α-helix	trans	-54.6	-38.6	175	0	0	0	0	0	112.8	E36 D43 D44	E36-A40 WeakPolarHBondContact O-CB 3.32Å; E36-A40 PolarHBondContact O-N 2.76Å; A40-D43 PolarHBondContact O-N 2.83Å; A40-D44 WeakPolarHBondContact O-CB 3.15Å; A40-D44 PolarHBondContact O-N 2.74Å
41	A	87.8	Confident	77.4	Confident	15 Å²	15	78.6 Å²	78.6	12%	0.124	44%	0.437	C	S	.	.	H	α-helix	trans	-73	-25.8	176.6	0	0	0	0	0	114.2	L25 R37 L38 Q39 E45	L25-A41 HydrophobicContact CD1-CB 3.38Å; R37-A41 WeakPolarHBondContact O-CB 3.15Å; R37-A41 PolarHBondContact O-N 2.94Å; L38-A41 PolarHBondContact O-N 3.39Å; Q39-A41 PolarHBondContact O-N 3.01Å; A41-E45 WeakPolarHBondContact O-CB 3.34Å; A41-E45 VanDerWaalsContact O-CG 3.25Å; A41-E45 WeakPolarHBondContact O-CG 3.45Å; A41-E45 PolarHBondContact O-N 3.18Å
42	L	86.6	Confident	74.8	Confident	27 Å²	27	79.9 Å²	79.9	14%	0.141	46%	0.463	C	S	.	.	H	α-helix	trans	-78.6	-37.1	170	-74.6	164.4	0	0	0	111	V6 V8 L38 Q39 E45 E46	V6-L42 HydrophobicContact CB-CD1 4.22Å; V8-L42 HydrophobicContact CG2-CD1 3.46Å; V8-L42 VanDerWaalsContact CG2-CD1 3.46Å; L38-L42 HydrophobicContact CD1-CD1 4.46Å; L38-L42 HydrophobicContact CG-CD1 4.13Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.46Å; L38-L42 PolarHBondContact O-N 2.82Å; Q39-L42 CarbonylContact O-C 3.53Å; Q39-L42 WeakPolarHBondContact O-CA 3.45Å; Q39-L42 WeakPolarHBondContact O-CB 3.34Å; Q39-L42 PolarHBondContact O-N 3.41Å; L42-E45 CarbonylContact O-C 3.58Å; L42-E45 WeakPolarHBondContact O-CB 3.2Å; L42-E45 PolarHBondContact O-N 3.05Å; L42-E46 VanDerWaalsContact O-CB 3.32Å; L42-E46 WeakPolarHBondContact O-CB 3.4Å; L42-E46 PolarHBondContact O-N 2.98Å
43	D	79.9	Confident	72.5	Confident	76 Å²	76	84.8 Å²	84.8	41%	0.406	48%	0.477	S	S	.	.	H	α-helix	trans	-67.6	-38.9	177.5	-57.1	-18.7	0	0	0	110.4	Q39 A40 E46 A47	Q39-D43 PolarHBondContact NE2-OD1 3.25Å; Q39-D43 WeakPolarHBondContact O-CB 3.15Å; Q39-D43 PolarHBondContact O-N 2.81Å; A40-D43 PolarHBondContact O-N 2.83Å; D43-E46 PolarHBondContact O-N 3.34Å; D43-A47 WeakPolarHBondContact O-CB 3.38Å; D43-A47 PolarHBondContact O-N 3.08Å
44	D	79.1	Confident	70	Confident	109 Å²	109	90.1 Å²	90.1	58%	0.583	50%	0.502	S	S	*	.	H	α-helix	trans	-64.5	-40	169.7	-83.2	-25.2	0	0	0	112.4	A40 G48 G49	A40-D44 WeakPolarHBondContact O-CB 3.15Å; A40-D44 PolarHBondContact O-N 2.74Å; D44-G48 PolarHBondContact O-N 3.41Å; D44-G49 PolarHBondContact O-N 2.86Å
45	E	80.8	Confident	67.4	Low	105 Å²	105	95.4 Å²	95.4	49%	0.491	54%	0.536	S	S	.	.	H	α-helix	trans	-66	-36.4	174.8	-82.1	173.3	-173.9	0	0	111.8	R23 A41 L42	R23-E45 WeakPolarHBondContact CD-OE1 3.3Å; R23-E45 IonicContact CZ-OE1 3.61Å; R23-E45 IonicContact CZ-OE2 3.03Å; R23-E45 IonicContact NE-OE1 3.39Å; R23-E45 PolarHBondContact NE-OE1 2.8Å; R23-E45 IonicContact NE-OE2 3.63Å; R23-E45 PolarHBondContact NE-OE2 3.11Å; R23-E45 VanDerWaalsContact NE-OE2 3.09Å; R23-E45 IonicContact NH2-OE1 2.74Å; R23-E45 IonicContact NH2-OE2 3.64Å; R23-E45 PolarHBondContact NH2-OE2 2.93Å; A41-E45 WeakPolarHBondContact O-CB 3.34Å; A41-E45 VanDerWaalsContact O-CG 3.25Å; A41-E45 WeakPolarHBondContact O-CG 3.45Å; A41-E45 PolarHBondContact O-N 3.18Å; L42-E45 CarbonylContact O-C 3.58Å; L42-E45 WeakPolarHBondContact O-CB 3.2Å; L42-E45 PolarHBondContact O-N 3.05Å
46	E	70.2	Confident	64.5	Low	164 Å²	164	96.3 Å²	96.3	77%	0.766	56%	0.557	S	S	*	*	H	α-helix	trans	-82.7	-31.3	-179.9	-170.5	155.4	-136.6	0	0	112.6	L42 D43 G48	L42-E46 VanDerWaalsContact O-CB 3.32Å; L42-E46 WeakPolarHBondContact O-CB 3.4Å; L42-E46 PolarHBondContact O-N 2.98Å; D43-E46 PolarHBondContact O-N 3.34Å; E46-G48 PolarHBondContact O-N 2.94Å
47	A	58.9	Low	61.6	Low	86 Å²	86	98 Å²	98	71%	0.711	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-4.5	169.5	0	0	0	0	0	113.6	D43	D43-A47 WeakPolarHBondContact O-CB 3.38Å; D43-A47 PolarHBondContact O-N 3.08Å
48	G	57.5	Low	58.7	Low	66 Å²	66	97.8 Å²	97.8	68%	0.68	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.4	20.1	175.9	0	0	0	0	0	114.5	D44 E46	D44-G48 PolarHBondContact O-N 3.41Å; E46-G48 PolarHBondContact O-N 2.94Å
49	G	40.3	Very low	55.6	Low	49 Å²	49	103.2 Å²	103.2	51%	0.505	63%	0.628	S	S	.	*			trans	-69.6	142.9	179.7	0	0	0	0	0	113.5	D44	D44-G49 PolarHBondContact O-N 2.86Å
50	R	38.5	Very low	52.9	Low	247 Å²	247	107.5 Å²	107.5	93%	0.932	65%	0.653	S	S	*	*			trans	-130.4	149.9	159	-88.1	-164.3	174.4	-153	-1.3	109.4
51	P	45.4	Very low	50.2	Low	115 Å²	115	111.9 Å²	111.9	75%	0.747	67%	0.669	S	S	*	*				-90.5	153.6	-116.4	30.5	-38.2	0	0	0	114
52	A	33.8	Very low	47.7	Very low	109 Å²	109	118.9 Å²	118.9	90%	0.901	70%	0.704	S	S	*	*			trans	-79.8	122.8	157.4	0	0	0	0	0	109.5
53	M	40.2	Very low	44.9	Very low	168 Å²	168	121.4 Å²	121.4	83%	0.828	74%	0.737	S	S	*	*			trans	-145.9	109.5	169.6	179.3	174.6	173	0	0	109.6
54	E	34.3	Very low	42.5	Very low	182 Å²	182	121.5 Å²	121.5	85%	0.85	76%	0.756	S	S	*	*			trans	-143.1	157.6	165.9	-93.3	-154.1	158.7	0	0	109.6
55	P	37.4	Very low	40.3	Very low	111 Å²	111	124.2 Å²	124.2	72%	0.721	77%	0.77	S	S	*	*			cis	-123.9	116.5	-35.2	29	-12.8	0	0	0	109.8	N57	P55-N57 PolarHBondContact O-N 3.35Å
56	G	30.5	Very low	38.1	Very low	65 Å²	65	124.2 Å²	124.2	67%	0.67	78%	0.781	S	S	*	*			trans	-73.1	121.1	168.1	0	0	0	0	0	109.7	G58	G56-G58 PolarHBondContact O-N 3.13Å
57	N	30.8	Very low	36.2	Very low	175 Å²	175	121.3 Å²	121.3	94%	0.936	79%	0.785	S	S	*	*			trans	-66.2	97.7	174.4	-174.6	12.5	0	0	0	109.7	P55	P55-N57 PolarHBondContact O-N 3.35Å
58	G	31.3	Very low	34.7	Very low	65 Å²	65	120.8 Å²	120.8	67%	0.67	79%	0.789	S	S	*	*			trans	-113.3	126.2	-176.5	0	0	0	0	0	111.8	G56	G56-G58 PolarHBondContact O-N 3.13Å
59	S	26.6	Very low	33.4	Very low	114 Å²	114	129 Å²	129	80%	0.797	80%	0.799	S	S	*	*			trans	-90.6	107.7	162.9	-174.7	0	0	0	0	109.2
60	L	33.3	Very low	32.8	Very low	162 Å²	162	132.1 Å²	132.1	85%	0.848	81%	0.813	S	S	*	*			trans	158.9	103.4	131.8	-82.5	170.2	0	0	0	112.6
61	D	31.5	Very low	32.3	Very low	140 Å²	140	124.2 Å²	124.2	75%	0.749	81%	0.809	S	S	*	*			trans	65.8	106.1	138.3	-131	47.3	0	0	0	123
62	L	34.6	Very low	31.4	Very low	161 Å²	161	124 Å²	124	84%	0.843	82%	0.817	S	S	*	*			trans	49.5	126.3	135.1	-62.2	174.9	0	0	0	123
63	G	29.1	Very low	31.1	Very low	81 Å²	81	122.3 Å²	122.3	84%	0.835	81%	0.81	S	S	*	*			trans	146.9	96.1	131.4	0	0	0	0	0	120.8
64	G	28.6	Very low	30.5	Very low	78 Å²	78	121.3 Å²	121.3	80%	0.804	81%	0.807	S	S	*	*				87.1	69.6	128.4	0	0	0	0	0	122.6
65	D	32.5	Very low	30.2	Very low	166 Å²	166	120.3 Å²	120.3	89%	0.888	80%	0.803	S	S	*	*				56.1	131.8	124.6	-111.1	-40.1	0	0	0	126
66	S	34.4	Very low	29.8	Very low	104 Å²	104	122.2 Å²	122.2	73%	0.727	80%	0.802	S	S	*	*				103.4	112.6	127.9	-154.4	0	0	0	0	124.6
67	A	30.9	Very low	29.7	Very low	103 Å²	103	126.1 Å²	126.1	85%	0.851	80%	0.803	S	S	*	*			trans	71.7	144.8	140.4	0	0	0	0	0	123.6
68	G	26.7	Very low	29.5	Very low	76 Å²	76	122 Å²	122	78%	0.784	79%	0.793	S	S	*	*			trans	-177.5	-25.6	175	0	0	0	0	0	122.1
69	R	29.8	Very low	29.3	Very low	237 Å²	237	123.2 Å²	123.2	89%	0.894	80%	0.797	S	S	*	*			trans	34.4	122.8	163.8	-155.2	-174.5	178.6	174.3	0.5	123.2
70	S	29.3	Very low	29.3	Very low	115 Å²	115	125 Å²	125	80%	0.804	80%	0.803	S	S	*	*			trans	73.6	147	143.4	62.9	0	0	0	0	124.9
71	G	26.5	Very low	29	Very low	81 Å²	81	121.1 Å²	121.1	84%	0.835	80%	0.802	S	S	*	*			trans	162.5	63.7	153.4	0	0	0	0	0	122.3
72	A	28.4	Very low	28.7	Very low	111 Å²	111	117.7 Å²	117.7	92%	0.917	80%	0.799	S	S	*	*			trans	-24.6	161.7	170.1	0	0	0	0	0	123.8
73	G	25.6	Very low	28.4	Very low	74 Å²	74	117.4 Å²	117.4	76%	0.763	80%	0.799	S	S	*	*			trans	162.5	76.4	153.2	0	0	0	0	0	123.6
74	L	28.9	Very low	28.5	Very low	147 Å²	147	122.5 Å²	122.5	77%	0.77	80%	0.801	S	S	*	*			trans	41.1	138.7	139.3	-58.3	174.1	0	0	0	126.3
75	E	28.4	Very low	28.5	Very low	161 Å²	161	128 Å²	128	75%	0.752	81%	0.805	S	S	*	*			trans	66.7	149.3	133.9	-73.9	165.1	-166.8	0	0	122.2
76	Q	27.2	Very low	28.3	Very low	150 Å²	150	128.8 Å²	128.8	70%	0.701	80%	0.804	S	S	*	*			cis	-167.4	176.6	-15.8	-161	-174.7	-34.1	0	0	110.5
77	E	28.6	Very low	28.1	Very low	147 Å²	147	132.8 Å²	132.8	69%	0.687	81%	0.811	S	S	*	*			trans	83.8	99.5	156.6	-64.4	-60.3	99.8	0	0	123.4
78	A	26.8	Very low	28.1	Very low	89 Å²	89	137 Å²	137	74%	0.736	81%	0.813	S	S	*	*				46	132.4	122.7	0	0	0	0	0	124.6
79	A	27.7	Very low	28.2	Very low	91 Å²	91	142.9 Å²	142.9	75%	0.752	82%	0.82	S	S	*	*				161.2	117.2	99	0	0	0	0	0	117.5
80	V	27.4	Very low	28	Very low	152 Å²	152	140 Å²	140	92%	0.921	82%	0.817	S	S	*	*			trans	63.4	123	139.8	-175.1	0	0	0	0	122.5
81	G	25.6	Very low	28	Very low	80 Å²	80	144.2 Å²	144.2	83%	0.825	82%	0.824	S	S	*	*			trans	105.4	127.1	151.9	0	0	0	0	0	115.5
82	G	26.1	Very low	28.1	Very low	67 Å²	67	149.1 Å²	149.1	69%	0.691	83%	0.825	S	S	*	*			cis	151.6	128.5	-4.4	0	0	0	0	0	110.7
83	D	28.1	Very low	28.2	Very low	156 Å²	156	153.2 Å²	153.2	83%	0.834	83%	0.825	S	S	*	*			trans	154.7	128.9	146.8	-80.4	-12.3	0	0	0	113.3
84	E	30.5	Very low	28.3	Very low	188 Å²	188	158.9 Å²	158.9	88%	0.879	83%	0.832	S	S	*	*			trans	58.5	107.1	147.3	-57.7	-173.8	161.8	0	0	120.9
85	E	29	Very low	28.3	Very low	192 Å²	192	155.5 Å²	155.5	90%	0.897	83%	0.832	S	S	*	*			trans	-93.3	144.3	161.6	-60.2	165.6	145.2	0	0	109.7
86	E	29.3	Very low	28.2	Very low	184 Å²	184	156.2 Å²	156.2	86%	0.86	84%	0.839	S	S	*	*			trans	-135.2	145.6	154.5	-87.6	-165.6	171.2	0	0	108
87	E	30.1	Very low	28.2	Very low	188 Å²	188	154 Å²	154	88%	0.879	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-93.3	152.5	-157.7	-62	158.2	133.2	0	0	113.6
88	E	29.2	Very low	28.2	Very low	192 Å²	192	151.2 Å²	151.2	90%	0.897	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-97.6	124.1	162	-64.3	-172.4	156.9	0	0	108
89	E	29.4	Very low	28.3	Very low	198 Å²	198	155 Å²	155	93%	0.925	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-94.9	129.3	169	-82.5	-171.9	148.7	0	0	110
90	E	26.9	Very low	28.3	Very low	177 Å²	177	158.8 Å²	158.8	83%	0.827	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-92.3	157	177.3	-57.6	175.2	132.1	0	0	110.6
91	E	28.6	Very low	28.3	Very low	203 Å²	203	155 Å²	155	95%	0.949	85%	0.85	S	S	*	*			trans	-126.6	126.4	157.6	-81.2	-170.4	156.5	0	0	107.9
92	E	28.3	Very low	28.3	Very low	184 Å²	184	158.8 Å²	158.8	86%	0.86	85%	0.851	S	S	*	*			trans	-84.5	150.2	-171.3	-57.5	166.7	120.2	0	0	112.3
93	E	29.9	Very low	28.4	Very low	197 Å²	197	164.5 Å²	164.5	92%	0.921	86%	0.86	S	S	*	*			trans	-108.8	120.1	156.3	-78.6	-163.5	146.4	0	0	109.3	G95	E93-G95 PolarHBondContact O-N 2.83Å
94	E	29.3	Very low	28.4	Very low	194 Å²	194	166.2 Å²	166.2	91%	0.907	87%	0.865	S	S	*	*			trans	-68.5	115.6	173.9	-73.3	-169.5	146.9	0	0	111
95	G	28	Very low	28.2	Very low	76 Å²	76	165.1 Å²	165.1	78%	0.784	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-82.9	134.1	169.9	0	0	0	0	0	112.2	E93	E93-G95 PolarHBondContact O-N 2.83Å
96	I	26	Very low	28	Very low	175 Å²	175	163.6 Å²	163.6	90%	0.897	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-92	122.4	165.3	-57.7	176.9	0	0	0	107.7
97	S	28.2	Very low	27.9	Very low	105 Å²	105	158.6 Å²	158.6	73%	0.734	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-76.3	148.1	-171.8	47.7	0	0	0	0	114
98	A	28.6	Very low	27.7	Very low	88 Å²	88	158.7 Å²	158.7	73%	0.727	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-77.5	162	161.7	0	0	0	0	0	110.9
99	L	27.6	Very low	27.5	Very low	168 Å²	168	157.3 Å²	157.3	88%	0.88	85%	0.848	S	S	*	*			trans	-130.1	123.9	165.4	-70.3	174.9	0	0	0	108.2
100	D	28.1	Very low	27.4	Very low	170 Å²	170	154.6 Å²	154.6	91%	0.909	84%	0.84	S	S	*	*			trans	-80.8	164.2	172.5	-72.8	-57.1	0	0	0	111.7
101	G	27	Very low	27.2	Very low	74 Å²	74	149.9 Å²	149.9	76%	0.763	84%	0.839	S	S	*	*			trans	-169.9	77.2	-179.1	0	0	0	0	0	114.4
102	D	26.9	Very low	27	Very low	158 Å²	158	145 Å²	145	85%	0.845	83%	0.834	S	S	*	*			trans	27.2	103.4	156.3	-60.2	-17.4	0	0	0	121.1
103	Q	27	Very low	26.8	Very low	188 Å²	188	141.5 Å²	141.5	88%	0.879	84%	0.836	S	S	*	*				10	122.7	120.3	178.2	177.2	86.2	0	0	118.9
104	M	28.2	Very low	26.6	Very low	191 Å²	191	135.8 Å²	135.8	94%	0.941	83%	0.83	S	S	*	*			trans	-156.7	-178.8	132.1	-125.8	-172.6	-68.1	0	0	112.5
105	E	26.8	Very low	26.5	Very low	166 Å²	166	131.7 Å²	131.7	78%	0.776	83%	0.829	S	S	*	*			trans	-134.1	172	-150.4	-157.1	-169.1	170.3	0	0	113.4
106	L	25.2	Very low	26.4	Very low	160 Å²	160	132.7 Å²	132.7	84%	0.838	83%	0.83	S	S	*	*			trans	76.9	144.8	162.5	-55.6	168.9	0	0	0	119.3
107	G	25.8	Very low	26.5	Very low	78 Å²	78	131.5 Å²	131.5	80%	0.804	83%	0.826	S	S	*	*			trans	149.6	111.4	169	0	0	0	0	0	114
108	E	26.1	Very low	26.4	Very low	191 Å²	191	131.1 Å²	131.1	89%	0.893	82%	0.823	S	S	*	*			trans	-108.5	178.1	-179.6	-64.8	176.4	103	0	0	113
109	E	26.4	Very low	26.2	Very low	162 Å²	162	130.3 Å²	130.3	76%	0.757	82%	0.823	S	S	*	*			trans	80.9	119.5	156.2	-60.9	-142.4	124.3	0	0	122.8
110	N	25.8	Very low	26.7	Very low	142 Å²	142	128.8 Å²	128.8	76%	0.759	82%	0.823	S	S	*	*				54.1	134.1	125	-53.2	-33.4	0	0	0	122.9
111	G	23.2	Very low	26.7	Very low	78 Å²	78	128.8 Å²	128.8	80%	0.804	82%	0.82	S	S	*	*			trans	160.4	62.2	154.8	0	0	0	0	0	123.1
112	A	24.5	Very low	26.8	Very low	101 Å²	101	132.7 Å²	132.7	84%	0.835	82%	0.818	S	S	*	*			trans	33.3	136	144.3	0	0	0	0	0	126.1
113	A	25.2	Very low	26.9	Very low	110 Å²	110	132.5 Å²	132.5	91%	0.909	81%	0.812	S	S	*	*			trans	73	154.2	138.9	0	0	0	0	0	122.5
114	G	24.8	Very low	27.1	Very low	76 Å²	76	131 Å²	131	78%	0.784	81%	0.805	S	S	*	*			trans	-169.7	-57.5	179.1	0	0	0	0	0	122.6
115	A	26.7	Very low	27.3	Very low	109 Å²	109	129.6 Å²	129.6	90%	0.901	80%	0.796	S	S	*	*			trans	64.2	171.1	175.2	0	0	0	0	0	121.6
116	A	27.1	Very low	27.4	Very low	96 Å²	96	125.5 Å²	125.5	79%	0.793	79%	0.791	S	S	*	*			trans	72.1	130.2	176.5	0	0	0	0	0	117.9
117	D	26.4	Very low	27.8	Very low	151 Å²	151	121.8 Å²	121.8	81%	0.807	78%	0.783	S	S	*	*			cis	85.2	138.8	42.8	-166.6	60.4	0	0	0	112.6
118	S	26.8	Very low	28	Very low	97 Å²	97	122.7 Å²	122.7	68%	0.678	78%	0.777	S	S	*	*			cis	-145.8	-172.9	14.3	-7.5	0	0	0	0	113.8
119	G	23.6	Very low	28.3	Very low	71 Å²	71	121.7 Å²	121.7	73%	0.732	77%	0.773	S	S	*	*			trans	-77	-158.1	169.5	0	0	0	0	0	115.3
120	P	39.3	Very low	28.6	Very low	135 Å²	135	120.9 Å²	120.9	88%	0.877	77%	0.774	S	S	*	*			cis	-141.6	-146.3	30.2	43.7	-22	0	0	0	116.2
121	M	27.9	Very low	29	Very low	171 Å²	171	121.7 Å²	121.7	84%	0.842	77%	0.773	S	S	*	*			trans	-105.1	-179.8	-163.8	-46.2	177.1	-169.8	0	0	115.7
122	E	29	Very low	29.2	Very low	155 Å²	155	124.5 Å²	124.5	72%	0.724	77%	0.769	S	S	*	*			trans	179.4	87.9	134	-101.3	176.3	-152.5	0	0	116.2	K214	E122-K214 PolarHBondContact O-NZ 3.46Å
123	E	30	Very low	29.4	Very low	155 Å²	155	123.3 Å²	123.3	72%	0.724	77%	0.767	S	S	*	*				56.3	165.5	108.4	-147.9	148.5	-120.8	0	0	124.8	K213	E123-K213 PolarHBondContact O-NZ 2.9Å
124	E	30.6	Very low	29.6	Very low	155 Å²	155	125.5 Å²	125.5	72%	0.724	76%	0.764	S	S	*	*			trans	70.4	144.5	171.5	-60.9	-164.7	151.5	0	0	119	K213	E124-K213 PolarHBondContact O-NZ 3.07Å
125	E	31.8	Very low	29.7	Very low	162 Å²	162	128.3 Å²	128.3	76%	0.757	76%	0.761	S	S	*	*			cis	-167.1	172.9	-6.4	-112.9	-70.4	77.3	0	0	105.9
126	A	30.2	Very low	29.8	Very low	80 Å²	80	131 Å²	131	66%	0.661	75%	0.754	S	S	*	*			cis	-159.5	-178.7	5.9	0	0	0	0	0	107.6
127	A	32.9	Very low	29.8	Very low	82 Å²	82	130 Å²	130	68%	0.678	75%	0.753	S	S	*	*			cis	-168.7	-175.7	-9.1	0	0	0	0	0	108.8
128	S	29.9	Very low	29.7	Very low	98 Å²	98	131.3 Å²	131.3	69%	0.685	75%	0.752	S	S	*	*			trans	64.6	113.3	172.9	52.8	0	0	0	0	117.4
129	E	32.9	Very low	29.7	Very low	170 Å²	170	133.4 Å²	133.4	79%	0.794	75%	0.752	S	S	*	*				77.2	126.6	64.5	-68.4	160.4	-173	0	0	111.4
130	D	32.5	Very low	29.9	Very low	145 Å²	145	138.7 Å²	138.7	78%	0.775	76%	0.757	S	S	*	*			cis	-149.6	-177.4	3.1	-82.7	-37.4	0	0	0	109
131	E	32.8	Very low	29.2	Very low	158 Å²	158	135.4 Å²	135.4	74%	0.738	75%	0.748	S	S	*	*			cis	-157.9	155.5	16.7	-151.5	-161.1	-96.6	0	0	111.7
132	N	28.2	Very low	29.2	Very low	137 Å²	137	136 Å²	136	73%	0.733	75%	0.749	S	S	*	*			trans	36.4	133.8	151.9	-68.9	-26.5	0	0	0	124.5
133	G	29.1	Very low	29.1	Very low	77 Å²	77	136 Å²	136	79%	0.794	75%	0.754	S	S	*	*			trans	176.8	69.3	166.4	0	0	0	0	0	116.8
134	D	29.3	Very low	29.1	Very low	156 Å²	156	136.9 Å²	136.9	83%	0.834	76%	0.758	S	S	*	*			trans	-64.3	159.3	165.6	-55.7	-62.6	0	0	0	111
135	D	27.3	Very low	29	Very low	135 Å²	135	137 Å²	137	72%	0.722	76%	0.762	S	S	*	*			cis	-154.8	175.2	33.6	-168.2	18.1	0	0	0	113.3
136	Q	29	Very low	28.8	Very low	164 Å²	164	132.6 Å²	132.6	77%	0.766	76%	0.761	S	S	*	*			trans	-80.1	170.9	-162.1	-56.8	147.9	75	0	0	116.5
137	G	26.8	Very low	28.8	Very low	75 Å²	75	135.2 Å²	135.2	77%	0.773	76%	0.764	S	S	*	*			trans	170.5	76.3	161.9	0	0	0	0	0	118.8
138	F	24.8	Very low	28.6	Very low	179 Å²	179	139.4 Å²	139.4	79%	0.785	77%	0.769	S	S	*	*			trans	8.7	155.8	142.9	-79	-115.9	0	0	0	121.2
139	Q	25.1	Very low	28.7	Very low	142 Å²	142	142.8 Å²	142.8	66%	0.664	77%	0.774	S	S	*	*			cis	-174	178.4	-20.2	-165.7	-178.8	-13.8	0	0	106.6
140	E	27.7	Very low	28.5	Very low	182 Å²	182	143.6 Å²	143.6	85%	0.85	78%	0.778	S	S	*	*			trans	75.7	145.6	164.3	-57.3	167.4	-179.7	0	0	115.9
141	G	25.8	Very low	28.3	Very low	66 Å²	66	139.7 Å²	139.7	68%	0.68	77%	0.772	S	S	*	*			cis	171.5	170.8	-6.4	0	0	0	0	0	112.9
142	E	27.7	Very low	28.2	Very low	184 Å²	184	137.5 Å²	137.5	86%	0.86	78%	0.781	S	S	*	*			trans	68.6	85.4	152.7	-56.2	-179	173.5	0	0	119.8
143	D	26.6	Very low	28.2	Very low	155 Å²	155	134.4 Å²	134.4	83%	0.829	78%	0.782	S	S	*	*				33.5	166.6	104.3	-57.8	-56.7	0	0	0	124.5
144	E	30.8	Very low	28.3	Very low	172 Å²	172	138.1 Å²	138.1	80%	0.804	78%	0.783	S	S	*	*			trans	74.1	115.5	167.6	-56.2	-150.7	128.1	0	0	117.9
145	L	28.3	Very low	28.3	Very low	157 Å²	157	137.9 Å²	137.9	82%	0.822	78%	0.777	S	S	*	*				92	141.4	56.9	-75.8	173.7	0	0	0	113.1
146	G	27.7	Very low	28.5	Very low	71 Å²	71	138.6 Å²	138.6	73%	0.732	78%	0.781	S	S	*	*			trans	158.5	39.3	-176.1	0	0	0	0	0	119.8
147	D	28.7	Very low	28.4	Very low	134 Å²	134	134.2 Å²	134.2	72%	0.717	78%	0.78	S	S	*	*			trans	38.1	130.6	140.1	-51.4	-16.3	0	0	0	124.7
148	E	29.5	Very low	28.6	Very low	171 Å²	171	140.2 Å²	140.2	80%	0.799	79%	0.787	S	S	*	*				74.9	116.1	130	-66.4	-178.7	173.4	0	0	125.3
149	E	31.1	Very low	28.6	Very low	168 Å²	168	135.1 Å²	135.1	79%	0.785	79%	0.785	S	S	*	*			trans	65.9	127.8	131.6	-59.1	-155.6	150	0	0	126
150	E	29.9	Very low	28.8	Very low	188 Å²	188	136.3 Å²	136.3	88%	0.879	79%	0.791	S	S	*	*			trans	30.3	151.5	131.5	-51.6	-147	162	0	0	123.3
151	G	28	Very low	28.9	Very low	63 Å²	63	135 Å²	135	65%	0.649	78%	0.784	S	S	*	*			cis	167.4	168.3	-0.8	0	0	0	0	0	113
152	A	30.6	Very low	29.1	Very low	112 Å²	112	140.6 Å²	140.6	93%	0.926	79%	0.793	S	S	*	*			trans	60.9	158.9	-175.7	0	0	0	0	0	115.2
153	G	27.5	Very low	29.7	Very low	72 Å²	72	137.3 Å²	137.3	74%	0.742	79%	0.788	S	S	*	*			cis	117	131.2	16.8	0	0	0	0	0	109.2
154	D	31.2	Very low	29.7	Very low	155 Å²	155	138.5 Å²	138.5	83%	0.829	79%	0.788	S	S	*	*			cis	-161.9	173.4	6.2	-154.4	-12.6	0	0	0	111.9
155	E	30.6	Very low	30.7	Very low	151 Å²	151	135.4 Å²	135.4	71%	0.706	78%	0.783	S	S	*	*			trans	64.8	153.2	158.9	-61.8	-153.9	143.6	0	0	125.6
156	N	30.4	Very low	31.9	Very low	149 Å²	149	133.3 Å²	133.3	80%	0.797	78%	0.779	S	S	*	*			trans	84	123.9	147.8	-71.6	-55	0	0	0	122.5
157	G	26.9	Very low	31.9	Very low	73 Å²	73	134.7 Å²	134.7	75%	0.753	78%	0.783	S	S	*	*			trans	146.5	95	147.3	0	0	0	0	0	119.8
158	H	30.8	Very low	31.8	Very low	201 Å²	201	134.5 Å²	134.5	93%	0.931	79%	0.787	S	S	*	*			trans	-31	160.8	165.6	-57.6	-94.1	0	0	0	120.7
159	G	26.4	Very low	31.8	Very low	71 Å²	71	133.8 Å²	133.8	73%	0.732	78%	0.784	S	S	*	*			trans	147.2	74.9	134.9	0	0	0	0	0	122.7
160	E	28.9	Very low	31.8	Very low	167 Å²	167	133.3 Å²	133.3	78%	0.78	78%	0.781	S	S	*	*			trans	45.6	134.3	133.6	-63.8	-155.1	92.4	0	0	126.8
161	Q	28.7	Very low	31.8	Very low	155 Å²	155	132.1 Å²	132.1	72%	0.724	78%	0.776	S	S	*	*			trans	71	113.4	138.2	-66.6	-179	44.1	0	0	124.3
162	Q	31.2	Very low	31.8	Very low	183 Å²	183	138 Å²	138	86%	0.855	79%	0.786	S	S	*	*				39.9	163.3	121.1	-68.6	-165.1	13.5	0	0	123.1
163	P	39.7	Very low	31.7	Very low	116 Å²	116	138.1 Å²	138.1	75%	0.753	78%	0.776	S	S	*	*			cis	-134.3	-167.1	9.7	38.9	-17.4	0	0	0	116.7
164	Q	27.7	Very low	31.8	Very low	180 Å²	180	143.7 Å²	143.7	84%	0.841	78%	0.783	S	S	*	*			trans	-92.8	-160.5	171	-42.3	175.2	-6.3	0	0	111.4
165	P	50.6	Low	31.7	Very low	107 Å²	107	143.8 Å²	143.8	70%	0.695	78%	0.778	S	S	*	*			cis	-132.9	-128.4	-17.4	40.7	-19.1	0	0	0	110.4
166	P	53.1	Low	31.7	Very low	113 Å²	113	145.5 Å²	145.5	73%	0.734	79%	0.786	S	S	*	*			cis	-124	170.7	-49.2	38.2	-23.6	0	0	0	114.7
167	A	27.6	Very low	31.5	Very low	100 Å²	100	149.8 Å²	149.8	83%	0.826	79%	0.791	S	S	*	*			trans	-158.1	166.9	153.6	0	0	0	0	0	111.7
168	T	27.7	Very low	31.5	Very low	129 Å²	129	150 Å²	150	79%	0.791	79%	0.794	S	S	*	*			trans	-154.5	170.8	-164.4	-39.3	0	0	0	0	113.1
169	Q	29.9	Very low	31.4	Very low	157 Å²	157	145.2 Å²	145.2	73%	0.734	79%	0.789	S	S	*	*			trans	88.1	149.7	167.7	-52.5	-177.3	28.6	0	0	115.6
170	Q	30.5	Very low	31.5	Very low	157 Å²	157	146.3 Å²	146.3	73%	0.734	79%	0.791	S	S	*	*			cis	-152.2	-179.8	-2.1	-130.5	170.1	34.3	0	0	114.2
171	Q	29.7	Very low	31.5	Very low	163 Å²	163	147.2 Å²	147.2	76%	0.762	79%	0.792	S	S	*	*			trans	-58.4	160.5	-178	-55.1	159	-13.9	0	0	115.5
172	Q	28.1	Very low	31.4	Very low	186 Å²	186	147.4 Å²	147.4	87%	0.869	79%	0.793	S	S	*	*				-156.4	162.8	113.5	-113.4	177.2	46.6	0	0	113.5
173	T	27.3	Very low	31.2	Very low	115 Å²	115	143.6 Å²	143.6	71%	0.706	79%	0.793	S	S	*	*			trans	-144.5	141.6	-173.4	-47.8	0	0	0	0	109.5
174	Q	30.9	Very low	30.6	Very low	189 Å²	189	143.3 Å²	143.3	88%	0.883	80%	0.8	S	S	*	*			trans	-150.8	157.9	157.5	-122.7	164	75.3	0	0	112.7
175	Q	29.8	Very low	30.6	Very low	158 Å²	158	138.5 Å²	138.5	74%	0.738	80%	0.8	S	S	*	*			trans	-125.7	154.5	-168.8	-57.8	171.6	-9.9	0	0	109.8
176	Q	29.7	Very low	29.6	Very low	187 Å²	187	143.1 Å²	143.1	87%	0.874	81%	0.809	S	S	*	*				159.6	169.7	125.8	-86.3	168.7	41.8	0	0	111.7
177	R	26.8	Very low	28.4	Very low	238 Å²	238	143 Å²	143	90%	0.898	81%	0.811	S	S	*	*				-170.1	125.2	-59.9	-148.1	-178.2	-174	-161.3	2.5	109.1
178	G	26.4	Very low	28.4	Very low	78 Å²	78	144 Å²	144	80%	0.804	81%	0.812	S	S	*	*			trans	83.5	164.4	166.4	0	0	0	0	0	116.9
179	A	29.3	Very low	28.4	Very low	101 Å²	101	141.2 Å²	141.2	84%	0.835	81%	0.808	S	S	*	*			cis	-158	144.1	-8.9	0	0	0	0	0	113.4
180	A	27.7	Very low	28.6	Very low	94 Å²	94	139.7 Å²	139.7	78%	0.777	81%	0.812	S	S	*	*			trans	22.8	126.7	156.6	0	0	0	0	0	122.4
181	K	28.2	Very low	28.4	Very low	185 Å²	185	137.5 Å²	137.5	80%	0.804	81%	0.81	S	S	*	*				-170.4	176.8	102.5	-111.5	-179.3	172.7	-97.6	0	115.4
182	E	26.8	Very low	28.3	Very low	159 Å²	159	135.1 Å²	135.1	74%	0.743	81%	0.811	S	S	*	*			trans	-65.9	147.1	-169.3	-54.7	134.5	99.1	0	0	116.1
183	A	27.2	Very low	28.3	Very low	104 Å²	104	132.5 Å²	132.5	86%	0.86	80%	0.802	S	S	*	*			trans	-172.8	158.2	130.2	0	0	0	0	0	112.3
184	A	27.4	Very low	28.2	Very low	109 Å²	109	137 Å²	137	90%	0.901	81%	0.812	S	S	*	*			trans	-84.8	154.2	-179.5	0	0	0	0	0	113.8
185	G	27.8	Very low	28	Very low	80 Å²	80	132 Å²	132	83%	0.825	80%	0.803	S	S	*	*			trans	-178.4	140.2	171.4	0	0	0	0	0	114.9
186	K	29.2	Very low	27.8	Very low	203 Å²	203	131.4 Å²	131.4	88%	0.883	81%	0.81	S	S	*	*			trans	-85.9	133.3	178.8	-70.4	176.1	174	176.9	0	112.5
187	S	28.4	Very low	27.6	Very low	112 Å²	112	128.6 Å²	128.6	78%	0.783	81%	0.806	S	S	*	*			trans	20.4	121.7	142.3	62	0	0	0	0	121.5
188	S	27.2	Very low	27.6	Very low	120 Å²	120	123.9 Å²	123.9	84%	0.839	80%	0.803	S	S	*	*			trans	-169.8	124.2	148.7	58	0	0	0	0	115
189	G	28.4	Very low	27.5	Very low	70 Å²	70	124.2 Å²	124.2	72%	0.722	80%	0.798	S	S	*	*			trans	67.4	177.1	158.1	0	0	0	0	0	118.7
190	P	33.9	Very low	28.1	Very low	126 Å²	126	125 Å²	125	82%	0.818	80%	0.795	S	S	*	*			cis	-94.5	161.4	-7	37.6	-32	0	0	0	112.5
191	T	26.7	Very low	28.7	Very low	111 Å²	111	126.2 Å²	126.2	68%	0.681	80%	0.795	S	S	*	*			cis	93.2	97.4	29.5	-39.7	0	0	0	0	115.5	L193	T191-L193 HydrophobicContact CG2-CD1 3.61Å; T191-L193 HydrophobicContact CG2-CG 4.04Å
192	S	27.2	Very low	28.5	Very low	112 Å²	112	120.9 Å²	120.9	78%	0.783	79%	0.792	S	S	*	*			trans	-166.7	106.6	155.4	-179.4	0	0	0	0	105.6
193	L	27.2	Very low	28.3	Very low	131 Å²	131	118.1 Å²	118.1	69%	0.686	80%	0.797	S	S	*	*			cis	74.5	84.2	31.3	-74.4	-178.9	0	0	0	116.4	T191	T191-L193 HydrophobicContact CG2-CD1 3.61Å; T191-L193 HydrophobicContact CG2-CG 4.04Å
194	F	26.4	Very low	28.2	Very low	211 Å²	211	123.2 Å²	123.2	93%	0.925	79%	0.794	S	S	*	*			trans	-130.1	142.1	132	-90.5	-81	0	0	0	109.7
195	A	26.9	Very low	28	Very low	82 Å²	82	126.1 Å²	126.1	68%	0.678	79%	0.788	S	S	*	*			trans	-148.2	147.3	180	0	0	0	0	0	109.8
196	V	26	Very low	27.8	Very low	146 Å²	146	125.7 Å²	125.7	89%	0.885	78%	0.784	S	S	*	*			trans	-136.9	108.1	-179.2	-179.7	0	0	0	0	110.7
197	T	24.5	Very low	27.7	Very low	129 Å²	129	124.3 Å²	124.3	79%	0.791	78%	0.781	S	S	*	*			trans	-163.3	146.1	173.7	47.9	0	0	0	0	107.8
198	V	27.4	Very low	27.6	Very low	138 Å²	138	127.1 Å²	127.1	84%	0.836	78%	0.782	S	S	*	*			cis	-159.3	163.9	-5.6	127.8	0	0	0	0	107.5
199	A	22.8	Very low	27.7	Very low	86 Å²	86	130 Å²	130	71%	0.711	78%	0.782	S	S	*	*			trans	-80	-162.7	-179	0	0	0	0	0	113.6
200	P	42.3	Very low	27.6	Very low	117 Å²	117	131.3 Å²	131.3	76%	0.76	79%	0.786	S	S	*	*			cis	-127.2	-131	-13.3	40.3	-18.5	0	0	0	110.1
201	P	40.2	Very low	27.4	Very low	120 Å²	120	129.1 Å²	129.1	78%	0.779	79%	0.787	S	S	*	*			cis	-133.8	174.4	-34.2	38.2	-21.1	0	0	0	116.4
202	G	23.7	Very low	27.6	Very low	72 Å²	72	127.2 Å²	127.2	74%	0.742	79%	0.789	S	S	*	*				123.7	106.7	127.3	0	0	0	0	0	123.2
203	A	24.1	Very low	27.7	Very low	102 Å²	102	128.2 Å²	128.2	84%	0.843	78%	0.779	S	S	*	*			trans	66.9	154.7	148.7	0	0	0	0	0	119.5
204	R	24.6	Very low	27.8	Very low	211 Å²	211	129 Å²	129	80%	0.796	78%	0.777	S	S	*	*			cis	-165.8	149.1	-6.9	-126.1	175.8	173.4	-157.3	6.1	111.2
205	Q	23.4	Very low	27.9	Very low	169 Å²	169	128.3 Å²	128.3	79%	0.79	77%	0.774	S	S	*	*			trans	61.3	154.7	157.2	-62.9	162.3	-90.2	0	0	118.6
206	G	24	Very low	27.9	Very low	72 Å²	72	128.8 Å²	128.8	74%	0.742	78%	0.777	S	S	*	*			cis	141.5	119	-29.3	0	0	0	0	0	117.8
207	Q	25.6	Very low	27.8	Very low	174 Å²	174	131.3 Å²	131.3	81%	0.813	78%	0.78	S	S	*	*			trans	-178.2	142	150.5	-98.1	169.7	9.2	0	0	108.4
208	Q	27.8	Very low	27.9	Very low	171 Å²	171	129.1 Å²	129.1	80%	0.799	78%	0.782	S	S	*	*				70.9	145.3	64.2	-62.4	-173	-10.1	0	0	113.6
209	Q	27.8	Very low	27.7	Very low	179 Å²	179	126.7 Å²	126.7	84%	0.836	79%	0.786	S	S	*	*			cis	-144.1	-171.9	30.6	-72.6	-173.5	17.2	0	0	111.2
210	A	28.3	Very low	27.7	Very low	98 Å²	98	126.4 Å²	126.4	81%	0.81	79%	0.791	S	S	*	*			cis	-162.6	177.2	-28.5	0	0	0	0	0	105.4
211	G	29.6	Very low	26.9	Very low	81 Å²	81	125 Å²	125	84%	0.835	80%	0.798	S	S	*	*			cis	153.5	165.6	17.8	0	0	0	0	0	106.5
212	G	29.4	Very low	26.1	Very low	71 Å²	71	123.4 Å²	123.4	73%	0.732	80%	0.803	S	S	*	*			cis	172.1	-172	-5.5	0	0	0	0	0	112
213	K	30.1	Very low	26.2	Very low	132 Å²	132	123.8 Å²	123.8	57%	0.574	81%	0.807	S	S	*	*			trans	75	158.4	163.1	-68.4	172.4	-179.5	-175.8	0	118.3	E123 E124	E123-K213 PolarHBondContact O-NZ 2.9Å; E124-K213 PolarHBondContact O-NZ 3.07Å
214	K	29.8	Very low	26.7	Very low	147 Å²	147	130.7 Å²	130.7	64%	0.639	81%	0.812	S	S	*	*			cis	-156.1	146	6.2	-120.8	149.7	-175.9	161.6	0	111.6	E122	E122-K214 PolarHBondContact O-NZ 3.46Å
215	K	27.2	Very low	27.4	Very low	198 Å²	198	127 Å²	127	86%	0.861	81%	0.814	S	S	*	*			trans	38.2	133.3	149.3	-70.2	-175.5	176.2	-175	0	122.8
216	A	26.6	Very low	27.5	Very low	91 Å²	91	122.8 Å²	122.8	75%	0.752	82%	0.817	S	S	*	*				79.8	148.3	71	0	0	0	0	0	114.5
217	E	25.2	Very low	27.9	Very low	200 Å²	200	123.9 Å²	123.9	94%	0.935	82%	0.819	S	S	*	*			cis	-146.6	-179.8	24.5	-69.1	-172.5	98.6	0	0	115.1
218	G	25.3	Very low	28.5	Very low	82 Å²	82	121.4 Å²	121.4	85%	0.845	82%	0.818	S	S	*	*			trans	106.4	133.7	168.4	0	0	0	0	0	114.3
219	G	24.3	Very low	28.4	Very low	88 Å²	88	117.6 Å²	117.6	91%	0.907	82%	0.815	S	S	*	*			cis	113.5	124.7	10.3	0	0	0	0	0	111
220	G	23.3	Very low	28.5	Very low	80 Å²	80	114.4 Å²	114.4	83%	0.825	82%	0.82	S	S	*	*			cis	177.5	146.3	-7.2	0	0	0	0	0	111.6
221	G	24.7	Very low	28.4	Very low	88 Å²	88	113.4 Å²	113.4	91%	0.907	82%	0.819	S	S	*	*			trans	77.1	164.7	-176.1	0	0	0	0	0	114.5
222	G	24.1	Very low	28.4	Very low	86 Å²	86	117 Å²	117	89%	0.887	82%	0.819	S	S	*	*			cis	156.5	126.6	-8.7	0	0	0	0	0	112.1
223	G	25.6	Very low	28.3	Very low	80 Å²	80	117 Å²	117	83%	0.825	82%	0.819	S	S	*	*			trans	132.1	99.4	166.8	0	0	0	0	0	118.1
224	R	34.3	Very low	28.3	Very low	247 Å²	247	119.9 Å²	119.9	93%	0.932	83%	0.831	S	S	*	*				-89.5	155.1	126.7	-90.1	-177.4	169.6	-167.2	-2.2	106.3
225	P	38.7	Very low	28.3	Very low	132 Å²	132	119.5 Å²	119.5	86%	0.857	84%	0.842	S	S	*	*			cis	-138.8	-177.6	35.5	41.8	-24.2	0	0	0	115.3
226	G	25.8	Very low	28.4	Very low	81 Å²	81	119 Å²	119	84%	0.835	84%	0.843	S	S	*	*			trans	169.2	98.4	167.9	0	0	0	0	0	115.6
227	A	32.1	Very low	28.4	Very low	96 Å²	96	124.1 Å²	124.1	79%	0.793	85%	0.851	S	S	*	*			trans	-127.4	145.5	147.7	0	0	0	0	0	106.1
228	P	38.3	Very low	28.7	Very low	122 Å²	122	124.1 Å²	124.1	79%	0.792	85%	0.848	S	S	*	*				-152	179.7	102.2	40.4	-23.9	0	0	0	115.1
229	A	26.9	Very low	28.9	Very low	90 Å²	90	124.3 Å²	124.3	74%	0.744	85%	0.85	S	S	*	*			trans	49.4	107.1	152	0	0	0	0	0	118.7
230	A	28.9	Very low	29.1	Very low	112 Å²	112	123.8 Å²	123.8	93%	0.926	84%	0.844	S	S	*	*				83	125.3	66	0	0	0	0	0	114.4
231	G	26.2	Very low	29.4	Very low	77 Å²	77	127.5 Å²	127.5	79%	0.794	85%	0.845	S	S	*	*			trans	-157.4	110.5	172.9	0	0	0	0	0	110.1
232	D	30.1	Very low	30.2	Very low	156 Å²	156	132.8 Å²	132.8	83%	0.834	84%	0.843	S	S	*	*			trans	-76.1	122.4	179.6	-103.5	-74.4	0	0	0	111.1
233	G	27.3	Very low	30.7	Very low	71 Å²	71	137.1 Å²	137.1	73%	0.732	84%	0.837	S	S	*	*			trans	-124.9	83.1	174.5	0	0	0	0	0	111.2
234	K	29.8	Very low	31.2	Very low	193 Å²	193	144.7 Å²	144.7	84%	0.839	84%	0.841	S	S	*	*			trans	-86.9	121.6	175.5	-73.9	178	-177.5	167.7	0	111.1
235	T	29.7	Very low	31	Very low	140 Å²	140	136.4 Å²	136.4	86%	0.859	83%	0.833	S	S	*	*			trans	-125.2	137	163	-19.4	0	0	0	0	109.1	Q237	T235-Q237 PolarHBondContact O-N 3.29Å
236	E	28.6	Very low	30.9	Very low	187 Å²	187	134.2 Å²	134.2	87%	0.874	82%	0.817	S	S	*	*			trans	-79.6	117.5	-167.9	-59.5	-176.5	120	0	0	112.8	K238	E236-K238 PolarHBondContact O-N 3.16Å
237	Q	27.5	Very low	31.4	Very low	199 Å²	199	139.7 Å²	139.7	93%	0.93	82%	0.818	S	S	*	*			trans	-76.6	109.2	166.3	-90.1	-173.2	-15.4	0	0	110.9	T235	T235-Q237 PolarHBondContact O-N 3.29Å
238	K	30.6	Very low	31.5	Very low	200 Å²	200	145.9 Å²	145.9	87%	0.87	82%	0.82	S	S	*	*			trans	-68.9	152.8	160.5	-81	179.1	176.6	171.2	0	110.5	E236	E236-K238 PolarHBondContact O-N 3.16Å
239	G	30	Very low	31.4	Very low	86 Å²	86	146.1 Å²	146.1	89%	0.887	82%	0.822	S	S	*	*			trans	-64.7	142.7	-160.2	0	0	0	0	0	116.1
240	G	27.8	Very low	31.7	Very low	76 Å²	76	152.2 Å²	152.2	78%	0.784	83%	0.826	S	S	*	*			trans	-132.6	146.2	167.4	0	0	0	0	0	110.4
241	D	31.1	Very low	32.3	Very low	158 Å²	158	154.7 Å²	154.7	85%	0.845	82%	0.818	S	S	*	*			trans	-83.6	150.9	-161.2	-134	-36.1	0	0	0	115.1	K243	D241-K243 VanDerWaalsContact C-N 3.27Å; D241-K243 PolarHBondContact O-N 2.93Å
242	K	40.7	Very low	32.6	Very low	200 Å²	200	155.3 Å²	155.3	87%	0.87	80%	0.804	S	S	*	*			trans	-80	63.7	-177.5	-74.5	178.5	178.5	168.4	0	112.8
243	K	34.5	Very low	33	Very low	176 Å²	176	156.2 Å²	156.2	77%	0.765	80%	0.802	S	S	*	*			trans	-70.1	133.5	168.2	-74.8	-174.6	179.3	-179.5	0	110.5	D241 G245	D241-K243 VanDerWaalsContact C-N 3.27Å; D241-K243 PolarHBondContact O-N 2.93Å; K243-G245 PolarHBondContact O-N 3.19Å
244	R	36.1	Very low	33.7	Very low	239 Å²	239	154.9 Å²	154.9	90%	0.902	79%	0.788	S	S	*	*			trans	-81.5	105.5	-175.5	-67.3	174.7	178.7	161.6	-0.3	110.3	V246	R244-V246 PolarHBondContact O-N 3.45Å; R244-V246 VanDerWaalsContact O-N 3.16Å
245	G	29.4	Very low	34.4	Very low	74 Å²	74	150.8 Å²	150.8	76%	0.763	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-58.7	116.5	170.8	0	0	0	0	0	111.5	K243	K243-G245 PolarHBondContact O-N 3.19Å
246	V	38.1	Very low	35.2	Very low	85 Å²	85	146.4 Å²	146.4	52%	0.515	75%	0.751	S	S	.	*	P	Polyproline II helix	trans	-72.5	128.5	167.5	178.4	0	0	0	0	107.3	R244 R248 Y802	R244-V246 PolarHBondContact O-N 3.45Å; R244-V246 VanDerWaalsContact O-N 3.16Å; V246-R248 PolarHBondContact O-N 2.85Å; V246-R248 VanDerWaalsContact O-N 3.16Å; V246-Y802 HydrophobicContact CB-CD1 4.03Å; V246-Y802 HydrophobicContact CB-CE1 3.42Å; V246-Y802 VanDerWaalsContact CB-CE1 3.42Å; V246-Y802 HydrophobicContact CG1-CD1 4.47Å; V246-Y802 HydrophobicContact CG1-CE1 3.99Å; V246-Y802 HydrophobicContact CG2-CD1 3.7Å; V246-Y802 HydrophobicContact CG2-CE1 3.59Å; V246-Y802 HydrophobicContact CG2-CG 4.27Å
247	K	35	Very low	35.7	Very low	196 Å²	196	144.6 Å²	144.6	85%	0.852	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-66.5	116.5	173.4	-89.4	-170.8	166.3	-170.8	0	109.8
248	R	34.8	Very low	36.5	Very low	226 Å²	226	138.3 Å²	138.3	85%	0.853	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-49	134.3	154.2	-69.5	-176.8	177	179.6	-0.9	107.8	V246 R250	V246-R248 PolarHBondContact O-N 2.85Å; V246-R248 VanDerWaalsContact O-N 3.16Å; R248-R250 PolarHBondContact O-N 2.64Å
249	P	35.9	Very low	37.3	Very low	128 Å²	128	132.7 Å²	132.7	83%	0.831	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-55	128.9	165.5	-22.3	33.9	0	0	0	108.6
250	R	34.7	Very low	38	Very low	217 Å²	217	134 Å²	134	82%	0.819	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-79.9	139.6	173.4	-167.7	-173.6	-165.2	-175.9	5.5	108.2	R248 D252	R248-R250 PolarHBondContact O-N 2.64Å; R250-D252 PolarHBondContact O-N 2.91Å
251	E	39.7	Very low	38.9	Very low	165 Å²	165	132.8 Å²	132.8	77%	0.771	64%	0.637	S	S	*	*			trans	-67.9	98.2	164.8	-69.5	166.7	132	0	0	108.3	H253	E251-H253 PolarHBondContact O-N 2.88Å
252	D	32.8	Very low	39.9	Very low	90 Å²	90	127.7 Å²	127.7	48%	0.481	61%	0.608	S	S	.	*			trans	-96.5	78.3	-177.2	-152.6	54.8	0	0	0	107.8	R250 R255	R250-D252 PolarHBondContact O-N 2.91Å; D252-R255 WeakPolarHBondContact OD2-CD 3.39Å; D252-R255 IonicContact OD2-CZ 3.06Å; D252-R255 IonicContact OD2-NE 2.68Å; D252-R255 PolarHBondContact OD2-NE 2.66Å
253	H	38.3	Very low	40.3	Very low	174 Å²	174	121.7 Å²	121.7	81%	0.806	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	146.5	-179.1	-64.1	-88.6	0	0	0	111.9	E251 R255	E251-H253 PolarHBondContact O-N 2.88Å; H253-R255 PolarHBondContact O-N 2.78Å
254	G	43	Very low	40.8	Very low	43 Å²	43	115.9 Å²	115.9	44%	0.443	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	84.8	-2.1	170.7	0	0	0	0	0	116.8
255	R	44.2	Very low	41.3	Very low	108 Å²	108	111.2 Å²	111.2	41%	0.408	55%	0.547	S	S	.	.	S	Bend	trans	-84.7	135.6	166.6	-73	-172.4	-174.6	-104.4	-10.5	111.7	D252 H253 Y257 H631	D252-R255 WeakPolarHBondContact OD2-CD 3.39Å; D252-R255 IonicContact OD2-CZ 3.06Å; D252-R255 IonicContact OD2-NE 2.68Å; D252-R255 PolarHBondContact OD2-NE 2.66Å; H253-R255 PolarHBondContact O-N 2.78Å; R255-Y257 VanDerWaalsContact C-N 3.26Å; R255-Y257 PolarHBondContact O-N 2.9Å; R255-H631 PolarHBondContact NH2-CE1 3.23Å
256	G	45.8	Very low	42.2	Very low	48 Å²	48	111.8 Å²	111.8	50%	0.495	53%	0.527	S	S	.	.			trans	-63.7	85.2	159.9	0	0	0	0	0	110.9	F258 E259 Y260	G256-F258 PolarHBondContact O-N 3.33Å; G256-E259 PolarHBondContact O-N 2.78Å; G256-Y260 PolarHBondContact O-N 3.44Å
257	Y	40.3	Very low	42.6	Very low	148 Å²	148	111.6 Å²	111.6	58%	0.58	53%	0.529	S	S	*	.	H	α-helix	trans	-47.9	-35.8	-175.9	-178.1	-107.8	0	0	0	113.2	R255 Y260 I261	R255-Y257 VanDerWaalsContact C-N 3.26Å; R255-Y257 PolarHBondContact O-N 2.9Å; Y257-Y260 PolarHBondContact O-N 2.9Å; Y257-I261 HydrophobicContact CD1-CD1 3.84Å; Y257-I261 HydrophobicContact CE1-CD1 3.3Å; Y257-I261 HydrophobicContact CE1-CG1 4.43Å; Y257-I261 HydrophobicContact CE2-CD1 4.12Å; Y257-I261 HydrophobicContact CG-CD1 4.44Å; Y257-I261 VanDerWaalsContact CZ-CD1 3.47Å; Y257-I261 PolarHBondContact O-N 2.77Å
258	F	43.3	Very low	43	Very low	67 Å²	67	111 Å²	111	29%	0.294	52%	0.521	S	S	.	.	H	α-helix	trans	-72.5	-38.9	-178.7	-56	-66.4	0	0	0	114	G256 Y260 I261 E262 Q557 P560 Q561	G256-F258 PolarHBondContact O-N 3.33Å; F258-Y260 VanDerWaalsContact C-N 3.3Å; F258-Y260 PolarHBondContact O-N 2.8Å; F258-I261 PolarHBondContact O-N 2.85Å; F258-E262 WeakPolarHBondContact O-CG 3.35Å; F258-E262 PolarHBondContact O-N 2.93Å; F258-Q557 WeakPolarHBondContact CE2-O 3.09Å; F258-P560 HydrophobicContact CD2-CB 3.97Å; F258-P560 HydrophobicContact CD2-CG 4.49Å; F258-P560 HydrophobicContact CG-CB 4.35Å; F258-Q561 HydrophobicContact CD1-CG 3.96Å; F258-Q561 HydrophobicContact CE1-CG 3.48Å; F258-Q561 VanDerWaalsContact CE1-CG 3.48Å; F258-Q561 HydrophobicContact CE2-CG 4.46Å; F258-Q561 HydrophobicContact CZ-CG 3.78Å; F258-Q561 VanDerWaalsContact CZ-NE2 3.34Å
259	E	48.6	Very low	43.5	Very low	83 Å²	83	102.7 Å²	102.7	39%	0.388	50%	0.502	S	S	.	.	H	α-helix	trans	-61.9	-42.5	173.7	-65.9	-166.9	164.3	0	0	110.6	G256 E262 E263 M636	G256-E259 PolarHBondContact O-N 2.78Å; E259-E262 PolarHBondContact O-N 2.85Å; E259-E263 WeakPolarHBondContact O-CB 3.47Å; E259-E263 PolarHBondContact O-N 3.17Å; E259-M636 VanDerWaalsContact CD-CE 3.45Å; E259-M636 WeakPolarHBondContact OE1-CE 3.06Å; E259-M636 WeakPolarHBondContact OE2-CE 3.13Å
260	Y	43.3	Very low	44.3	Very low	114 Å²	114	106 Å²	106	45%	0.447	50%	0.503	S	S	.	.	H	α-helix	trans	-66.6	-35.4	176.9	178	-110.6	0	0	0	113.1	G256 Y257 F258 N264	G256-Y260 PolarHBondContact O-N 3.44Å; Y257-Y260 PolarHBondContact O-N 2.9Å; F258-Y260 VanDerWaalsContact C-N 3.3Å; F258-Y260 PolarHBondContact O-N 2.8Å; Y260-N264 WeakPolarHBondContact CE2-ND2 3.01Å; Y260-N264 WeakPolarHBondContact O-CB 3.49Å; Y260-N264 PolarHBondContact O-N 3.03Å; Y260-N264 PolarHBondContact OH-ND2 2.89Å
261	I	47.6	Very low	45.2	Very low	50 Å²	50	99.1 Å²	99.1	26%	0.256	49%	0.488	S	S	.	.	H	α-helix	trans	-72.3	-40.2	174.4	-79.6	-174.4	0	0	0	112.1	Y257 F258 N264 K265	Y257-I261 HydrophobicContact CD1-CD1 3.84Å; Y257-I261 HydrophobicContact CE1-CD1 3.3Å; Y257-I261 HydrophobicContact CE1-CG1 4.43Å; Y257-I261 HydrophobicContact CE2-CD1 4.12Å; Y257-I261 HydrophobicContact CG-CD1 4.44Å; Y257-I261 VanDerWaalsContact CZ-CD1 3.47Å; Y257-I261 PolarHBondContact O-N 2.77Å; F258-I261 PolarHBondContact O-N 2.85Å; I261-N264 PolarHBondContact O-N 2.85Å; I261-K265 HydrophobicContact CG2-CD 4.04Å; I261-K265 HydrophobicContact CG2-CG 4.26Å; I261-K265 VanDerWaalsContact O-CB 3.29Å; I261-K265 WeakPolarHBondContact O-CB 3.44Å; I261-K265 WeakPolarHBondContact O-CG 3.42Å; I261-K265 PolarHBondContact O-N 2.91Å
262	E	51.5	Low	46.3	Very low	50 Å²	50	93.2 Å²	93.2	23%	0.234	46%	0.464	C	S	.	.	H	α-helix	trans	-63.3	-43.9	172.7	-73.1	-158.7	132.3	0	0	111.4	F258 E259 N264 Y266 R591	F258-E262 WeakPolarHBondContact O-CG 3.35Å; F258-E262 PolarHBondContact O-N 2.93Å; E259-E262 PolarHBondContact O-N 2.85Å; E262-N264 PolarHBondContact O-N 3.39Å; E262-Y266 WeakPolarHBondContact O-CD2 3.35Å; E262-Y266 PolarHBondContact O-N 2.89Å; E262-Y266 VanDerWaalsContact O-N 3.1Å; E262-R591 IonicContact OE1-CZ 2.7Å; E262-R591 IonicContact OE1-NH2 3.44Å; E262-R591 PolarHBondContact OE1-NH2 3.46Å; E262-R591 IonicContact OE2-CZ 2.66Å; E262-R591 IonicContact OE2-NH1 2.65Å; E262-R591 PolarHBondContact OE2-NH1 2.97Å; E262-R591 IonicContact OE2-NH2 3.73Å; E262-R591 PolarHBondContact OE2-NH2 3.15Å
263	E	49	Very low	47.5	Very low	74 Å²	74	97.4 Å²	97.4	35%	0.346	48%	0.481	S	S	.	.	H	α-helix	trans	-60.4	-42.5	177	-167.6	171.2	-113.9	0	0	110.8	E259 S267 K635 N639	E259-E263 WeakPolarHBondContact O-CB 3.47Å; E259-E263 PolarHBondContact O-N 3.17Å; E263-S267 WeakPolarHBondContact O-CB 3.42Å; E263-S267 PolarHBondContact O-N 3.07Å; E263-S267 VanDerWaalsContact O-N 3.12Å; E263-S267 PolarHBondContact O-OG 2.91Å; E263-K635 VanDerWaalsContact CD-NZ 3.31Å; E263-K635 IonicContact OE1-NZ 3.88Å; E263-K635 PolarHBondContact OE1-NZ 2.96Å; E263-K635 VanDerWaalsContact OE1-NZ 3.13Å; E263-K635 IonicContact OE2-NZ 3.74Å; E263-K635 PolarHBondContact OE2-NZ 3.39Å; E263-N639 PolarHBondContact OE1-ND2 3.13Å
264	N	44.5	Very low	48.7	Very low	54 Å²	54	92.2 Å²	92.2	29%	0.289	46%	0.462	S	S	.	.	H	α-helix	trans	-77.4	-40.2	176	-93.5	-53.8	0	0	0	115.3	Y260 I261 E262 Y266	Y260-N264 WeakPolarHBondContact CE2-ND2 3.01Å; Y260-N264 WeakPolarHBondContact O-CB 3.49Å; Y260-N264 PolarHBondContact O-N 3.03Å; Y260-N264 PolarHBondContact OH-ND2 2.89Å; I261-N264 PolarHBondContact O-N 2.85Å; E262-N264 PolarHBondContact O-N 3.39Å; N264-Y266 VanDerWaalsContact C-N 3.32Å; N264-Y266 PolarHBondContact O-N 3.16Å
265	K	46.9	Very low	49.9	Very low	142 Å²	142	91.2 Å²	91.2	62%	0.617	45%	0.448	S	S	*	.	H	α-helix	trans	-61.8	-42.7	178.7	-85.3	-174.5	174.3	179.7	0	110.8	I261	I261-K265 HydrophobicContact CG2-CD 4.04Å; I261-K265 HydrophobicContact CG2-CG 4.26Å; I261-K265 VanDerWaalsContact O-CB 3.29Å; I261-K265 WeakPolarHBondContact O-CB 3.44Å; I261-K265 WeakPolarHBondContact O-CG 3.42Å; I261-K265 PolarHBondContact O-N 2.91Å
266	Y	49.6	Very low	51	Low	85 Å²	85	92.2 Å²	92.2	33%	0.333	47%	0.466	S	S	.	.	H	α-helix	trans	-102.3	-16.9	-168.8	-60.1	-67.8	0	0	0	115.1	E262 N264 R268 A269	E262-Y266 WeakPolarHBondContact O-CD2 3.35Å; E262-Y266 PolarHBondContact O-N 2.89Å; E262-Y266 VanDerWaalsContact O-N 3.1Å; N264-Y266 VanDerWaalsContact C-N 3.32Å; N264-Y266 PolarHBondContact O-N 3.16Å; Y266-R268 PolarHBondContact O-N 3.45Å; Y266-A269 HydrophobicContact CD1-CB 4.28Å; Y266-A269 PolarHBondContact O-N 2.9Å
267	S	45	Very low	51.8	Low	82 Å²	82	96.2 Å²	96.2	57%	0.573	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.8	171.5	56	0	0	0	0	114.5	E263	E263-S267 WeakPolarHBondContact O-CB 3.42Å; E263-S267 PolarHBondContact O-N 3.07Å; E263-S267 VanDerWaalsContact O-N 3.12Å; E263-S267 PolarHBondContact O-OG 2.91Å
268	R	43.2	Very low	52.9	Low	182 Å²	182	96 Å²	96	69%	0.687	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-5.9	174.5	-69.2	-178.2	173.1	-172.7	-2.9	114.1	Y266 Q683	Y266-R268 PolarHBondContact O-N 3.45Å; R268-Q683 VanDerWaalsContact NE-OE1 3.12Å
269	A	46.5	Very low	53.6	Low	53 Å²	53	101.8 Å²	101.8	44%	0.438	50%	0.504	S	S	.	.	S	Bend	trans	-92	156.9	177.8	0	0	0	0	0	110.6	Y266	Y266-A269 HydrophobicContact CD1-CB 4.28Å; Y266-A269 PolarHBondContact O-N 2.9Å
270	K	52	Low	54.4	Low	197 Å²	197	103 Å²	103	86%	0.857	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-65.2	152.2	158.2	-65.2	-178.9	179.2	-179.7	0	108.1
271	S	54.6	Low	55.6	Low	72 Å²	72	102.2 Å²	102.2	50%	0.503	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-49.4	141.6	171.5	-60.5	0	0	0	0	110.4	Q273	S271-Q273 PolarHBondContact O-N 3.48Å
272	P	61.5	Low	56.7	Low	42 Å²	42	109.2 Å²	109.2	27%	0.273	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-51.7	132.9	172.1	-24	33.6	0	0	0	109.5	R591 L595	P272-R591 HydrophobicContact CG-CG 4.24Å; P272-L595 HydrophobicContact CB-CD2 3.65Å; P272-L595 HydrophobicContact CB-CG 4.45Å; P272-L595 HydrophobicContact CG-CD2 4.36Å
273	Q	59.5	Low	58	Low	177 Å²	177	109.4 Å²	109.4	83%	0.827	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-68.5	147.3	165.3	-72.7	-167.2	-36.5	0	0	108.4	S271	S271-Q273 PolarHBondContact O-N 3.48Å
274	P	62.8	Low	59.7	Low	65 Å²	65	110.3 Å²	110.3	42%	0.422	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-57.7	149.6	172.6	27.2	-35.4	0	0	0	109.4	V276 A597	P274-V276 PolarHBondContact O-N 3.17Å; P274-A597 HydrophobicContact CB-CB 3.8Å; P274-A597 HydrophobicContact CG-CB 4.34Å
275	P	68	Low	61.8	Low	23 Å²	23	110.3 Å²	110.3	15%	0.149	55%	0.552	C	S	.	*	P	Polyproline II helix	trans	-53.5	140.9	172.8	-23.3	33.4	0	0	0	110.7	E277 A571 R572 L595	P275-E277 PolarHBondContact O-N 3.11Å; P275-A571 HydrophobicContact CG-CB 4.3Å; P275-R572 HydrophobicContact CB-CG 3.82Å; P275-R572 HydrophobicContact CG-CG 3.83Å; P275-L595 WeakPolarHBondContact CD-O 3.35Å
276	V	67.3	Low	63.9	Low	128 Å²	128	106.3 Å²	106.3	78%	0.776	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-59.6	134.8	164.9	179.9	0	0	0	0	107.1	P274 E278	P274-V276 PolarHBondContact O-N 3.17Å; V276-E278 PolarHBondContact O-N 3.15Å
277	E	62.3	Low	66	Low	132 Å²	132	103.9 Å²	103.9	62%	0.617	53%	0.534	S	S	*	.			trans	-76.2	109.7	179.1	-57.4	-168.6	149.4	0	0	108	P275 K494	P275-E277 PolarHBondContact O-N 3.11Å; E277-K494 WeakPolarHBondContact OE1-CD 3.05Å; E277-K494 WeakPolarHBondContact OE1-CE 3.44Å; E277-K494 IonicContact OE1-NZ 3.65Å; E277-K494 PolarHBondContact OE1-NZ 3.36Å
278	E	63.2	Low	68.5	Low	144 Å²	144	100 Å²	100	67%	0.673	51%	0.507	S	S	*	.			trans	-75.7	123.4	168.2	-67.6	165.9	-150	0	0	106.4	V276 D280 R572	V276-E278 PolarHBondContact O-N 3.15Å; E278-D280 PolarHBondContact O-N 3.15Å; E278-R572 IonicContact OE1-NH1 3.34Å
279	E	59.3	Low	71	Confident	188 Å²	188	91.4 Å²	91.4	88%	0.879	48%	0.475	S	S	*	.			trans	-64	129.2	177.8	-67	179.5	168.9	0	0	109.5	E281	E279-E281 PolarHBondContact O-N 3.24Å; E279-E281 VanDerWaalsContact O-N 3.15Å
280	D	64.6	Low	73.4	Confident	109 Å²	109	89 Å²	89	58%	0.583	45%	0.454	S	S	*	.			trans	-65.4	115.3	176.9	-70.9	-60.2	0	0	0	109.4	E278 H282 K574	E278-D280 PolarHBondContact O-N 3.15Å; D280-H282 PolarHBondContact O-N 2.93Å; D280-H282 VanDerWaalsContact O-N 3.08Å; D280-K574 WeakPolarHBondContact OD2-CE 3.46Å; D280-K574 IonicContact OD2-NZ 2.8Å; D280-K574 PolarHBondContact OD2-NZ 2.91Å
281	E	68.8	Low	75.4	Confident	97 Å²	97	80 Å²	80	45%	0.453	42%	0.415	S	S	.	.			trans	-57.1	115.8	176	-67.8	-178.3	154	0	0	109.6	E279 F283 R303 R305	E279-E281 PolarHBondContact O-N 3.24Å; E279-E281 VanDerWaalsContact O-N 3.15Å; E281-F283 PolarHBondContact O-N 2.82Å; E281-R303 WeakPolarHBondContact OE1-CD 3.17Å; E281-R303 IonicContact OE1-CZ 2.73Å; E281-R303 IonicContact OE1-NE 2.69Å; E281-R303 IonicContact OE1-NH1 2.87Å; E281-R303 PolarHBondContact OE1-NH1 3.1Å; E281-R305 PolarHBondContact O-NH2 3.31Å
282	H	69.8	Low	77.2	Confident	197 Å²	197	79.1 Å²	79.1	91%	0.912	41%	0.407	S	S	*	.			trans	-61.6	121.2	-178.5	-177.7	74.1	0	0	0	109.9	D280	D280-H282 PolarHBondContact O-N 2.93Å; D280-H282 VanDerWaalsContact O-N 3.08Å
283	F	79.3	Confident	78.6	Confident	54 Å²	54	78.7 Å²	78.7	24%	0.237	40%	0.4	C	S	.	.			trans	-123.2	140.5	-170.5	-173.4	-89.3	0	0	0	109.8	E281 D285 V287 C289 R305	E281-F283 PolarHBondContact O-N 2.82Å; F283-D285 PolarHBondContact O-N 2.9Å; F283-D285 VanDerWaalsContact O-N 3.09Å; F283-V287 HydrophobicContact CE1-CB 3.91Å; F283-V287 HydrophobicContact CE1-CG1 4.35Å; F283-V287 HydrophobicContact CZ-CB 4Å; F283-V287 HydrophobicContact CZ-CG1 3.97Å; F283-C289 HydrophobicContact CE1-CB 4.21Å; F283-C289 WeakPolarHBondContact CE1-SG 3.5Å; F283-C289 HydrophobicContact CZ-CB 3.69Å; F283-C289 WeakPolarHBondContact CZ-SG 3.46Å; F283-R305 HydrophobicContact CE2-CG 4.35Å
284	D	86	Confident	80.2	Confident	93 Å²	93	70.9 Å²	70.9	50%	0.497	36%	0.364	S	S	.	.			trans	-68.6	104.7	176.1	-174.3	-18	0	0	0	109.9	T286 V287	D284-T286 VanDerWaalsContact CG-OG1 3.27Å; D284-T286 PolarHBondContact O-N 2.84Å; D284-T286 VanDerWaalsContact O-N 3.08Å; D284-T286 WeakPolarHBondContact OD1-CB 3.36Å; D284-T286 WeakPolarHBondContact OD1-CG2 3.2Å; D284-T286 PolarHBondContact OD1-N 3.31Å; D284-T286 PolarHBondContact OD1-OG1 2.94Å; D284-T286 PolarHBondContact OD2-OG1 2.82Å; D284-V287 HydrophobicContact CB-CG2 3.99Å; D284-V287 WeakPolarHBondContact O-CB 3.25Å; D284-V287 PolarHBondContact O-N 2.7Å; D284-V287 VanDerWaalsContact O-N 3.09Å
285	D	87.9	Confident	81.7	Confident	55 Å²	55	68.2 Å²	68.2	29%	0.294	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-5.5	-176.9	-166.9	69.5	0	0	0	113.5	F283 V287 Y327 R486 K489	F283-D285 PolarHBondContact O-N 2.9Å; F283-D285 VanDerWaalsContact O-N 3.09Å; D285-V287 VanDerWaalsContact C-N 3.32Å; D285-Y327 WeakPolarHBondContact O-CE2 3.24Å; D285-Y327 PolarHBondContact O-OH 2.99Å; D285-R486 IonicContact OD1-CZ 2.72Å; D285-R486 VanDerWaalsContact OD1-CZ 3.23Å; D285-R486 IonicContact OD1-NE 3.56Å; D285-R486 PolarHBondContact OD1-NE 2.96Å; D285-R486 IonicContact OD1-NH2 3.88Å; D285-R486 PolarHBondContact OD1-NH2 3.01Å; D285-R486 IonicContact OD2-NE 2.64Å; D285-R486 PolarHBondContact OD2-NE 2.93Å; D285-K489 VanDerWaalsContact CG-NZ 3.33Å; D285-K489 WeakPolarHBondContact OD1-CE 3.4Å; D285-K489 IonicContact OD1-NZ 2.72Å; D285-K489 WeakPolarHBondContact OD2-CE 2.92Å; D285-K489 IonicContact OD2-NZ 3.02Å; D285-K489 PolarHBondContact OD2-NZ 2.76Å
286	T	91.3	Very high	82.9	Confident	58 Å²	58	67.4 Å²	67.4	36%	0.356	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-9.5	171.6	71.7	0	0	0	0	113.6	D284 L481 R484	D284-T286 VanDerWaalsContact CG-OG1 3.27Å; D284-T286 PolarHBondContact O-N 2.84Å; D284-T286 VanDerWaalsContact O-N 3.08Å; D284-T286 WeakPolarHBondContact OD1-CB 3.36Å; D284-T286 WeakPolarHBondContact OD1-CG2 3.2Å; D284-T286 PolarHBondContact OD1-N 3.31Å; D284-T286 PolarHBondContact OD1-OG1 2.94Å; D284-T286 PolarHBondContact OD2-OG1 2.82Å; T286-L481 HydrophobicContact CG2-CD2 3.88Å; T286-R484 PolarHBondContact O-NH1 2.85Å
287	V	93.8	Very high	84.1	Confident	34 Å²	34	62.1 Å²	62.1	21%	0.206	31%	0.309	C	S	.	.	S	Bend	trans	-88.2	133	-178.5	178.8	0	0	0	0	111.2	F283 D284 D285 C289 S326	F283-V287 HydrophobicContact CE1-CB 3.91Å; F283-V287 HydrophobicContact CE1-CG1 4.35Å; F283-V287 HydrophobicContact CZ-CB 4Å; F283-V287 HydrophobicContact CZ-CG1 3.97Å; D284-V287 HydrophobicContact CB-CG2 3.99Å; D284-V287 WeakPolarHBondContact O-CB 3.25Å; D284-V287 PolarHBondContact O-N 2.7Å; D284-V287 VanDerWaalsContact O-N 3.09Å; D285-V287 VanDerWaalsContact C-N 3.32Å; V287-C289 PolarHBondContact O-N 2.91Å; V287-S326 PolarHBondContact O-OG 2.85Å
288	V	96.9	Very high	85.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.279	C	S	.	.			trans	-80.5	99.2	172.5	-169.2	0	0	0	0	109.5	A325 Y327 F459 Q461 I476	V288-A325 HydrophobicContact CG1-CB 4.02Å; V288-Y327 HydrophobicContact CG2-CD2 3.92Å; V288-Y327 HydrophobicContact CG2-CG 4.24Å; V288-F459 HydrophobicContact CB-CB 4.19Å; V288-F459 HydrophobicContact CB-CG 4.5Å; V288-F459 HydrophobicContact CG1-CB 4.17Å; V288-F459 HydrophobicContact CG1-CD1 4.19Å; V288-F459 HydrophobicContact CG1-CG 4.06Å; V288-F459 WeakPolarHBondContact O-CD2 3.45Å; V288-Q461 PolarHBondContact O-NE2 2.94Å; V288-I476 HydrophobicContact CB-CG2 4.41Å; V288-I476 HydrophobicContact CG1-CD1 4.44Å; V288-I476 HydrophobicContact CG1-CG1 4.39Å; V288-I476 HydrophobicContact CG1-CG2 3.88Å; V288-I476 HydrophobicContact CG2-CG1 4.42Å
289	C	96.4	Very high	87.1	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.014	25%	0.249	C	C	.	.			trans	-126.7	174.7	174.8	74.3	0	0	0	0	111.6	F283 V287 D291 R305 L306 A325 S326	F283-C289 HydrophobicContact CE1-CB 4.21Å; F283-C289 WeakPolarHBondContact CE1-SG 3.5Å; F283-C289 HydrophobicContact CZ-CB 3.69Å; F283-C289 WeakPolarHBondContact CZ-SG 3.46Å; V287-C289 PolarHBondContact O-N 2.91Å; C289-D291 PolarHBondContact O-N 3.13Å; C289-R305 HydrophobicContact CB-CB 3.63Å; C289-R305 VanDerWaalsContact SG-CD 3.57Å; C289-L306 HydrophobicContact CB-CD2 4.44Å; C289-A325 CarbonylContact O-C 3.47Å; C289-A325 VanDerWaalsContact O-CA 3.25Å; C289-A325 WeakPolarHBondContact O-CA 3.22Å; C289-S326 PolarHBondContact N-OG 3.38Å; C289-S326 PolarHBondContact O-N 2.85Å; C289-S326 PolarHBondContact O-OG 3.13Å
290	L	96.8	Very high	88.8	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	131.4	166.5	-63.2	174.4	0	0	0	110.5	F299 I301 R305 A308 F457 F459	L290-F299 HydrophobicContact CD1-CE1 4.23Å; L290-I301 HydrophobicContact CB-CD1 3.96Å; L290-I301 HydrophobicContact CB-CG1 4.26Å; L290-I301 HydrophobicContact CB-CG2 4Å; L290-I301 HydrophobicContact CD1-CG1 4.45Å; L290-I301 HydrophobicContact CD1-CG2 4.34Å; L290-R305 WeakPolarHBondContact CB-O 3.43Å; L290-R305 WeakPolarHBondContact CG-O 3.24Å; L290-R305 PolarHBondContact N-O 3.42Å; L290-A308 HydrophobicContact CD1-CB 3.55Å; L290-F457 HydrophobicContact CD1-CD2 3.82Å; L290-F457 HydrophobicContact CD1-CE2 3.85Å; L290-F457 HydrophobicContact CD2-CD2 4Å; L290-F457 HydrophobicContact CD2-CE2 3.86Å; L290-F457 HydrophobicContact CD2-CZ 4.34Å; L290-F457 HydrophobicContact CG-CD2 4.08Å; L290-F457 HydrophobicContact CG-CE2 4.28Å; L290-F459 HydrophobicContact CD2-CZ 4.16Å
291	D	94.3	Very high	90.2	Very high	6 Å²	6	43 Å²	43	3%	0.032	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.7	-173.1	-167.3	-64.3	0	0	0	111.3	C289 Y293 N294 C295 I301 R324 R486	C289-D291 PolarHBondContact O-N 3.13Å; D291-Y293 PolarHBondContact O-N 2.95Å; D291-Y293 WeakPolarHBondContact OD1-CA 3.2Å; D291-Y293 VanDerWaalsContact OD1-CB 3.31Å; D291-Y293 WeakPolarHBondContact OD1-CB 3.22Å; D291-Y293 PolarHBondContact OD1-N 3.24Å; D291-N294 HydrophobicContact CB-CB 3.88Å; D291-N294 PolarHBondContact OD1-N 2.98Å; D291-C295 WeakPolarHBondContact O-CB 3.47Å; D291-I301 WeakPolarHBondContact O-CD1 3.33Å; D291-R324 PolarHBondContact N-O 2.86Å; D291-R486 IonicContact OD2-CZ 2.89Å; D291-R486 IonicContact OD2-NH1 3.23Å; D291-R486 PolarHBondContact OD2-NH1 2.85Å; D291-R486 IonicContact OD2-NH2 2.82Å; D291-R486 PolarHBondContact OD2-NH2 2.84Å
292	T	91.3	Very high	91.4	Very high	54 Å²	54	40 Å²	40	33%	0.331	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-8.3	-176.6	54.1	0	0	0	0	113.9	I301 R575	T292-I301 HydrophobicContact CG2-CD1 4.23Å; T292-R575 PolarHBondContact O-NH2 2.9Å
293	Y	91.3	Very high	92.3	Very high	34 Å²	34	39.4 Å²	39.4	13%	0.133	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-46.6	169	-172.8	-97.5	0	0	0	111.6	D291 C295 P488 R575	D291-Y293 PolarHBondContact O-N 2.95Å; D291-Y293 WeakPolarHBondContact OD1-CA 3.2Å; D291-Y293 VanDerWaalsContact OD1-CB 3.31Å; D291-Y293 WeakPolarHBondContact OD1-CB 3.22Å; D291-Y293 PolarHBondContact OD1-N 3.24Å; Y293-C295 PolarHBondContact O-N 2.83Å; Y293-P488 VanDerWaalsContact CD1-O 3.23Å; Y293-P488 WeakPolarHBondContact CD1-O 3.35Å; Y293-R575 HydrophobicContact CD2-CB 4.37Å; Y293-R575 HydrophobicContact CD2-CG 3.69Å; Y293-R575 HydrophobicContact CE2-CB 3.75Å; Y293-R575 HydrophobicContact CE2-CG 3.58Å; Y293-R575 PolarHBondContact O-NH1 2.87Å; Y293-R575 PolarHBondContact O-NH2 2.97Å; Y293-R575 VanDerWaalsContact O-NH2 3.09Å
294	N	92.7	Very high	92.9	Very high	12 Å²	12	41 Å²	41	6%	0.064	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	47.7	-177.6	-156.9	6.5	0	0	0	112.7	D291 R324	D291-N294 HydrophobicContact CB-CB 3.88Å; D291-N294 PolarHBondContact OD1-N 2.98Å; N294-R324 PolarHBondContact O-N 2.9Å; N294-R324 PolarHBondContact OD1-NH1 3.24Å
295	C	94.1	Very high	93.3	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.061	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163	178.9	81	0	0	0	0	112.4	D291 Y293 F299 I301 G322 M370 R575	D291-C295 WeakPolarHBondContact O-CB 3.47Å; Y293-C295 PolarHBondContact O-N 2.83Å; C295-F299 HydrophobicContact CB-CB 4.42Å; C295-F299 HydrophobicContact CB-CD1 3.91Å; C295-I301 HydrophobicContact CB-CD1 4.02Å; C295-G322 WeakPolarHBondContact CA-O 3.46Å; C295-M370 VanDerWaalsContact CA-SD 3.58Å; C295-R575 VanDerWaalsContact O-CZ 3.25Å; C295-R575 PolarHBondContact O-NH1 2.91Å; C295-R575 PolarHBondContact O-NH2 3.49Å; C295-R575 PolarHBondContact SG-NH2 2.97Å
296	D	94.6	Very high	93.6	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	18%	0.183	C	C	.	.			trans	-64.4	151.3	171	-97.9	-46.8	0	0	0	113.4	H298 F299 G322 M370 K536	D296-H298 VanDerWaalsContact CG-CE1 3.4Å; D296-H298 PolarHBondContact O-N 3.28Å; D296-H298 IonicContact OD1-CE1 3.72Å; D296-H298 IonicContact OD2-CE1 2.71Å; D296-F299 HydrophobicContact CB-CB 4.02Å; D296-F299 WeakPolarHBondContact O-CB 3.23Å; D296-F299 PolarHBondContact O-N 3.36Å; D296-F299 VanDerWaalsContact O-N 3.13Å; D296-G322 PolarHBondContact N-O 2.87Å; D296-G322 PolarHBondContact OD2-N 2.81Å; D296-M370 WeakPolarHBondContact OD2-CB 3.46Å; D296-K536 IonicContact OD1-NZ 2.71Å; D296-K536 PolarHBondContact OD1-NZ 2.97Å
297	L	92.4	Very high	93.9	Very high	16 Å²	16	36.7 Å²	36.7	8%	0.084	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.8	178.7	-69.1	177	0	0	0	113.1	L528 F566 I569 A570 K573 F577	L297-L528 HydrophobicContact CD1-CD2 3.81Å; L297-F566 HydrophobicContact CB-CD1 3.95Å; L297-F566 HydrophobicContact CB-CE1 4.03Å; L297-F566 HydrophobicContact CD1-CD1 3.99Å; L297-I569 HydrophobicContact CB-CG2 4.1Å; L297-I569 WeakPolarHBondContact O-CG2 3.18Å; L297-A570 HydrophobicContact CD1-CB 3.9Å; L297-K573 HydrophobicContact CD2-CB 4.35Å; L297-K573 HydrophobicContact CD2-CG 4.11Å; L297-F577 HydrophobicContact CD1-CE1 3.96Å; L297-F577 HydrophobicContact CD2-CE1 4.09Å; L297-F577 HydrophobicContact CD2-CZ 4.2Å
298	H	92.5	Very high	94	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	9.9	176.2	62	-63.8	0	0	0	113	D296 L311 F316 W320 A321 F566	D296-H298 VanDerWaalsContact CG-CE1 3.4Å; D296-H298 PolarHBondContact O-N 3.28Å; D296-H298 IonicContact OD1-CE1 3.72Å; D296-H298 IonicContact OD2-CE1 2.71Å; H298-L311 HydrophobicContact CB-CB 4.29Å; H298-L311 HydrophobicContact CB-CD1 3.97Å; H298-L311 HydrophobicContact CB-CG 4.23Å; H298-L311 PolarHBondContact O-N 3.03Å; H298-F316 HydrophobicContact CB-CD1 3.69Å; H298-F316 HydrophobicContact CB-CE1 3.83Å; H298-W320 PolarHBondContact CE1-O 2.7Å; H298-W320 PolarHBondContact NE2-O 3.15Å; H298-A321 WeakPolarHBondContact NE2-CA 3.35Å; H298-A321 WeakPolarHBondContact NE2-CB 3.31Å; H298-F566 HydrophobicContact CB-CE1 4.16Å; H298-F566 HydrophobicContact CB-CZ 4.31Å; H298-F566 AromaticContact CG-CE1 3.99Å; H298-F566 AromaticContact CG-CZ 3.89Å; H298-F566 AromaticContact ND1-CE1 3.37Å; H298-F566 WeakPolarHBondContact ND1-CE1 3.47Å; H298-F566 AromaticContact ND1-CZ 3.42Å; H298-F566 WeakPolarHBondContact ND1-CZ 3.46Å
299	F	95.3	Very high	94	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.035	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	104.8	166.2	-165.9	-116.7	0	0	0	109	L290 C295 D296 I301 A308 A321 V448 C450	L290-F299 HydrophobicContact CD1-CE1 4.23Å; C295-F299 HydrophobicContact CB-CB 4.42Å; C295-F299 HydrophobicContact CB-CD1 3.91Å; D296-F299 HydrophobicContact CB-CB 4.02Å; D296-F299 WeakPolarHBondContact O-CB 3.23Å; D296-F299 PolarHBondContact O-N 3.36Å; D296-F299 VanDerWaalsContact O-N 3.13Å; F299-I301 HydrophobicContact CD1-CD1 4.03Å; F299-I301 HydrophobicContact CD1-CG1 3.61Å; F299-I301 HydrophobicContact CE1-CD1 4.32Å; F299-I301 HydrophobicContact CE1-CG1 3.83Å; F299-I301 PolarHBondContact O-N 3.23Å; F299-A308 HydrophobicContact CD1-CB 4.19Å; F299-A308 HydrophobicContact CE1-CB 3.47Å; F299-A308 VanDerWaalsContact CE1-CB 3.47Å; F299-A308 HydrophobicContact CE2-CB 3.91Å; F299-A308 HydrophobicContact CZ-CB 3.31Å; F299-A321 HydrophobicContact CB-CB 4.05Å; F299-A321 HydrophobicContact CD2-CB 3.81Å; F299-A321 WeakPolarHBondContact CD2-O 3.25Å; F299-A321 HydrophobicContact CG-CB 4.42Å; F299-V448 HydrophobicContact CE1-CG1 4.37Å; F299-V448 HydrophobicContact CE2-CG1 4.12Å; F299-V448 HydrophobicContact CZ-CG1 3.52Å; F299-C450 HydrophobicContact CE2-CB 4.28Å
300	K	94.3	Very high	93.9	Very high	133 Å²	133	36.2 Å²	36.2	58%	0.578	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	90.2	-175.8	-176.5	-158.3	169.3	-162.5	0	109.7	A308 S309 L311	K300-A308 VanDerWaalsContact O-CA 3.27Å; K300-A308 WeakPolarHBondContact O-CA 3.43Å; K300-S309 WeakPolarHBondContact CA-O 3.45Å; K300-S309 WeakPolarHBondContact CB-O 3.38Å; K300-S309 PolarHBondContact N-O 3.29Å; K300-S309 PolarHBondContact O-N 3.08Å; K300-L311 HydrophobicContact CB-CD2 4.21Å
301	I	94.6	Very high	93.6	Very high	30 Å²	30	38 Å²	38	15%	0.154	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	144.9	170.5	-56.4	169.5	0	0	0	110	L290 D291 T292 C295 F299 R305 A308	L290-I301 HydrophobicContact CB-CD1 3.96Å; L290-I301 HydrophobicContact CB-CG1 4.26Å; L290-I301 HydrophobicContact CB-CG2 4Å; L290-I301 HydrophobicContact CD1-CG1 4.45Å; L290-I301 HydrophobicContact CD1-CG2 4.34Å; D291-I301 WeakPolarHBondContact O-CD1 3.33Å; T292-I301 HydrophobicContact CG2-CD1 4.23Å; C295-I301 HydrophobicContact CB-CD1 4.02Å; F299-I301 HydrophobicContact CD1-CD1 4.03Å; F299-I301 HydrophobicContact CD1-CG1 3.61Å; F299-I301 HydrophobicContact CE1-CD1 4.32Å; F299-I301 HydrophobicContact CE1-CG1 3.83Å; F299-I301 PolarHBondContact O-N 3.23Å; I301-R305 HydrophobicContact CG2-CB 4.02Å; I301-R305 HydrophobicContact CG2-CG 4.11Å; I301-A308 HydrophobicContact CG1-CB 4.17Å
302	S	94	Very high	93.3	Very high	34 Å²	34	39.3 Å²	39.3	24%	0.238	20%	0.195	C	C	.	.			trans	-70.3	178.9	172.2	54.6	0	0	0	0	113.9	D304 R305 S307	S302-D304 PolarHBondContact OG-OD1 2.76Å; S302-R305 PolarHBondContact OG-N 3.45Å; S302-S307 VanDerWaalsContact CB-O 3.23Å; S302-S307 WeakPolarHBondContact CB-O 3.08Å; S302-S307 WeakPolarHBondContact CB-OG 3.21Å; S302-S307 PolarHBondContact N-O 3.17Å; S302-S307 PolarHBondContact OG-N 2.91Å; S302-S307 VanDerWaalsContact OG-N 3.11Å; S302-S307 PolarHBondContact OG-O 3.19Å; S302-S307 PolarHBondContact OG-OG 3.32Å
303	R	89.4	Confident	93	Very high	186 Å²	186	41.9 Å²	41.9	70%	0.702	21%	0.205	S	C	*	.	S	Bend	trans	-77.6	-40.5	175.7	-67.8	-170.3	-175.4	-150.2	5.3	113	E281 R305	E281-R303 WeakPolarHBondContact OE1-CD 3.17Å; E281-R303 IonicContact OE1-CZ 2.73Å; E281-R303 IonicContact OE1-NE 2.69Å; E281-R303 IonicContact OE1-NH1 2.87Å; E281-R303 PolarHBondContact OE1-NH1 3.1Å; R303-R305 PolarHBondContact O-N 3.49Å
304	D	90.4	Very high	92.5	Very high	87 Å²	87	46.6 Å²	46.6	47%	0.465	23%	0.228	S	C	.	.	S	Bend	trans	-65.6	-18.6	171.3	50.9	72.8	0	0	0	112.9	S302 L306 S307	S302-D304 PolarHBondContact OG-OD1 2.76Å; D304-L306 PolarHBondContact O-N 2.79Å; D304-L306 WeakPolarHBondContact OD1-CA 3.4Å; D304-L306 WeakPolarHBondContact OD1-CB 3.4Å; D304-L306 PolarHBondContact OD1-N 3.26Å; D304-S307 PolarHBondContact OD1-N 2.65Å
305	R	94.3	Very high	92	Very high	43 Å²	43	46.3 Å²	46.3	16%	0.162	23%	0.227	C	C	.	.	S	Bend	trans	61.5	20.7	-177.5	-52.3	177.1	-169.5	-175.8	3.9	113.4	E281 F283 C289 L290 I301 S302 R303	E281-R305 PolarHBondContact O-NH2 3.31Å; F283-R305 HydrophobicContact CE2-CG 4.35Å; C289-R305 HydrophobicContact CB-CB 3.63Å; C289-R305 VanDerWaalsContact SG-CD 3.57Å; L290-R305 WeakPolarHBondContact CB-O 3.43Å; L290-R305 WeakPolarHBondContact CG-O 3.24Å; L290-R305 PolarHBondContact N-O 3.42Å; I301-R305 HydrophobicContact CG2-CB 4.02Å; I301-R305 HydrophobicContact CG2-CG 4.11Å; S302-R305 PolarHBondContact OG-N 3.45Å; R303-R305 PolarHBondContact O-N 3.49Å
306	L	95.7	Very high	91.7	Very high	32 Å²	32	46.1 Å²	46.1	17%	0.168	23%	0.226	C	C	.	.	S	Bend	trans	-105	-12.7	173.5	-60.2	-178.3	0	0	0	112.2	C289 D304 E456 F457 F459 Q461	C289-L306 HydrophobicContact CB-CD2 4.44Å; D304-L306 PolarHBondContact O-N 2.79Å; D304-L306 WeakPolarHBondContact OD1-CA 3.4Å; D304-L306 WeakPolarHBondContact OD1-CB 3.4Å; D304-L306 PolarHBondContact OD1-N 3.26Å; L306-E456 CarbonylContact O-C 3.57Å; L306-F457 WeakPolarHBondContact O-CD2 3.48Å; L306-F457 PolarHBondContact O-N 3.31Å; L306-F459 HydrophobicContact CD2-CD2 3.82Å; L306-F459 HydrophobicContact CD2-CE2 4.18Å; L306-Q461 HydrophobicContact CD1-CB 4.08Å; L306-Q461 HydrophobicContact CD1-CG 4.03Å; L306-Q461 HydrophobicContact CD2-CG 4.36Å
307	S	96.6	Very high	91.4	Very high	40 Å²	40	45.8 Å²	45.8	28%	0.28	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	153.7	170.3	59.6	0	0	0	0	113.3	S302 D304 V455	S302-S307 VanDerWaalsContact CB-O 3.23Å; S302-S307 WeakPolarHBondContact CB-O 3.08Å; S302-S307 WeakPolarHBondContact CB-OG 3.21Å; S302-S307 PolarHBondContact N-O 3.17Å; S302-S307 PolarHBondContact OG-N 2.91Å; S302-S307 VanDerWaalsContact OG-N 3.11Å; S302-S307 PolarHBondContact OG-O 3.19Å; S302-S307 PolarHBondContact OG-OG 3.32Å; D304-S307 PolarHBondContact OD1-N 2.65Å; S307-V455 CarbonylContact C-O 3.42Å; S307-V455 VanDerWaalsContact CA-O 3.28Å; S307-V455 WeakPolarHBondContact CA-O 3.48Å; S307-V455 WeakPolarHBondContact CB-O 3.36Å
308	A	97.1	Very high	91	Very high	6 Å²	6	45.8 Å²	45.8	5%	0.05	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	163.1	176.8	0	0	0	0	0	113.3	L290 F299 K300 I301 A454 V455	L290-A308 HydrophobicContact CD1-CB 3.55Å; F299-A308 HydrophobicContact CD1-CB 4.19Å; F299-A308 HydrophobicContact CE1-CB 3.47Å; F299-A308 VanDerWaalsContact CE1-CB 3.47Å; F299-A308 HydrophobicContact CE2-CB 3.91Å; F299-A308 HydrophobicContact CZ-CB 3.31Å; K300-A308 VanDerWaalsContact O-CA 3.27Å; K300-A308 WeakPolarHBondContact O-CA 3.43Å; I301-A308 HydrophobicContact CG1-CB 4.17Å; A308-A454 WeakPolarHBondContact O-CA 2.76Å; A308-V455 PolarHBondContact N-O 3.21Å; A308-V455 WeakPolarHBondContact O-CG2 3.45Å; A308-V455 PolarHBondContact O-N 2.91Å
309	S	96.1	Very high	90.9	Very high	19 Å²	19	45.8 Å²	45.8	13%	0.133	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	157.2	170.3	61	0	0	0	0	113.5	K300 C453	K300-S309 WeakPolarHBondContact CA-O 3.45Å; K300-S309 WeakPolarHBondContact CB-O 3.38Å; K300-S309 PolarHBondContact N-O 3.29Å; K300-S309 PolarHBondContact O-N 3.08Å; S309-C453 WeakPolarHBondContact CA-O 3.2Å; S309-C453 WeakPolarHBondContact CB-O 3.45Å
310	S	93.3	Very high	90.8	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	141.4	168.4	56.2	0	0	0	0	111.2	T312 N452 C453	S310-T312 WeakPolarHBondContact O-CG2 3.29Å; S310-T312 PolarHBondContact O-N 2.71Å; S310-N452 WeakPolarHBondContact OG-CA 3.26Å; S310-N452 PolarHBondContact OG-N 2.78Å; S310-C453 PolarHBondContact N-O 2.82Å; S310-C453 PolarHBondContact OG-N 2.61Å
311	L	91.1	Very high	90.8	Very high	40 Å²	40	39.1 Å²	39.1	21%	0.209	19%	0.194	C	C	.	.			trans	-64.9	125.8	167.6	-66.9	-179.4	0	0	0	111.1	H298 K300 F316 I569	H298-L311 HydrophobicContact CB-CB 4.29Å; H298-L311 HydrophobicContact CB-CD1 3.97Å; H298-L311 HydrophobicContact CB-CG 4.23Å; H298-L311 PolarHBondContact O-N 3.03Å; K300-L311 HydrophobicContact CB-CD2 4.21Å; L311-F316 HydrophobicContact CB-CB 4.09Å; L311-F316 HydrophobicContact CB-CD1 4.4Å; L311-F316 HydrophobicContact CB-CG 4.28Å; L311-F316 HydrophobicContact CD1-CD1 4.5Å; L311-F316 CarbonylContact O-C 3.52Å; L311-F316 VanDerWaalsContact O-CB 3.23Å; L311-F316 WeakPolarHBondContact O-CB 3.23Å; L311-I569 HydrophobicContact CD1-CD1 4.08Å
312	T	89.1	Confident	90.9	Very high	33 Å²	33	37.7 Å²	37.7	20%	0.202	19%	0.187	C	C	.	.			trans	-107.8	9.3	-177.1	62.2	0	0	0	0	114	S310 A317 I344 V346 H348 N452	S310-T312 WeakPolarHBondContact O-CG2 3.29Å; S310-T312 PolarHBondContact O-N 2.71Å; T312-A317 WeakPolarHBondContact O-CB 3.42Å; T312-I344 HydrophobicContact CG2-CB 3.92Å; T312-I344 HydrophobicContact CG2-CD1 3.95Å; T312-I344 HydrophobicContact CG2-CG2 3.77Å; T312-V346 HydrophobicContact CG2-CG2 4.41Å; T312-H348 PolarHBondContact O-CE1 3.03Å; T312-H348 VanDerWaalsContact O-CE1 3.23Å; T312-N452 HydrophobicContact CG2-CB 4.06Å; T312-N452 VanDerWaalsContact CG2-OD1 3.26Å; T312-N452 WeakPolarHBondContact CG2-OD1 3.48Å
313	M	83.9	Confident	91.1	Very high	108 Å²	108	36.1 Å²	36.1	53%	0.532	18%	0.176	S	C	.	.	S	Bend	trans	-82.5	135.4	-174.7	65.4	-164.6	-61.2	0	0	112.8	S315 F316	M313-S315 PolarHBondContact O-N 3.09Å; M313-F316 HydrophobicContact CG-CD2 4.02Å; M313-F316 WeakPolarHBondContact O-CB 3.11Å; M313-F316 WeakPolarHBondContact O-CD2 2.97Å; M313-F316 PolarHBondContact O-N 3.33Å
314	E	81.8	Confident	91.4	Very high	133 Å²	133	27.3 Å²	27.3	62%	0.621	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	49.2	-128.5	179.5	-56.1	-177.9	162.4	0	0	111.7	F316 H348	E314-F316 VanDerWaalsContact C-N 3.25Å; E314-F316 PolarHBondContact O-N 2.87Å; E314-H348 PolarHBondContact O-CD2 3.37Å; E314-H348 PolarHBondContact O-NE2 2.79Å
315	S	81.9	Confident	91.8	Very high	7 Å²	7	23.2 Å²	23.2	5%	0.049	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-79.7	3.7	-179.6	-63.7	0	0	0	0	114.2	M313 A317 Q561 C562	M313-S315 PolarHBondContact O-N 3.09Å; S315-A317 VanDerWaalsContact C-N 3.3Å; S315-Q561 PolarHBondContact OG-OE1 3.01Å; S315-C562 VanDerWaalsContact C-SG 3.54Å; S315-C562 WeakPolarHBondContact CB-SG 3.42Å; S315-C562 PolarHBondContact O-SG 3.06Å
316	F	87	Confident	91.9	Very high	5 Å²	5	21.3 Å²	21.3	2%	0.022	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-72.4	-22.8	170.5	-75.1	-88.3	0	0	0	113.3	H298 L311 M313 E314 F318 L319 K565 F566 I569	H298-F316 HydrophobicContact CB-CD1 3.69Å; H298-F316 HydrophobicContact CB-CE1 3.83Å; L311-F316 HydrophobicContact CB-CB 4.09Å; L311-F316 HydrophobicContact CB-CD1 4.4Å; L311-F316 HydrophobicContact CB-CG 4.28Å; L311-F316 HydrophobicContact CD1-CD1 4.5Å; L311-F316 CarbonylContact O-C 3.52Å; L311-F316 VanDerWaalsContact O-CB 3.23Å; L311-F316 WeakPolarHBondContact O-CB 3.23Å; M313-F316 HydrophobicContact CG-CD2 4.02Å; M313-F316 WeakPolarHBondContact O-CB 3.11Å; M313-F316 WeakPolarHBondContact O-CD2 2.97Å; M313-F316 PolarHBondContact O-N 3.33Å; E314-F316 VanDerWaalsContact C-N 3.25Å; E314-F316 PolarHBondContact O-N 2.87Å; F316-F318 PolarHBondContact O-N 2.82Å; F316-L319 HydrophobicContact CD1-CD1 3.7Å; F316-L319 HydrophobicContact CE1-CD1 4.26Å; F316-L319 HydrophobicContact CG-CD1 4.38Å; F316-L319 WeakPolarHBondContact O-CB 3.28Å; F316-L319 PolarHBondContact O-N 2.65Å; F316-K565 HydrophobicContact CE2-CB 3.51Å; F316-K565 HydrophobicContact CE2-CG 4.1Å; F316-K565 HydrophobicContact CZ-CB 3.55Å; F316-F566 HydrophobicContact CD1-CE2 4.44Å; F316-F566 HydrophobicContact CD1-CZ 4.39Å; F316-F566 HydrophobicContact CE1-CD1 4.45Å; F316-F566 HydrophobicContact CE1-CD2 4.08Å; F316-F566 HydrophobicContact CE1-CE1 4.16Å; F316-F566 AromaticContact CE1-CE2 3.76Å; F316-F566 HydrophobicContact CE1-CE2 3.76Å; F316-F566 HydrophobicContact CE1-CG 4.43Å; F316-F566 AromaticContact CE1-CZ 3.82Å; F316-F566 HydrophobicContact CE1-CZ 3.82Å; F316-F566 HydrophobicContact CZ-CD2 4.39Å; F316-F566 HydrophobicContact CZ-CE2 4.48Å; F316-I569 HydrophobicContact CE1-CD1 4.43Å; F316-I569 HydrophobicContact CZ-CD1 4.06Å
317	A	88.1	Confident	92	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-71.7	7.9	178.5	0	0	0	0	0	115.6	T312 S315 V346 L349 H451 N452	T312-A317 WeakPolarHBondContact O-CB 3.42Å; S315-A317 VanDerWaalsContact C-N 3.3Å; A317-V346 HydrophobicContact CB-CB 4.38Å; A317-V346 HydrophobicContact CB-CG1 3.41Å; A317-V346 VanDerWaalsContact CB-CG1 3.41Å; A317-V346 HydrophobicContact CB-CG2 4.15Å; A317-L349 HydrophobicContact CB-CD1 3.64Å; A317-L349 HydrophobicContact CB-CG 4.26Å; A317-L349 VanDerWaalsContact O-CD1 3.23Å; A317-L349 WeakPolarHBondContact O-CD1 3.01Å; A317-H451 PolarHBondContact O-NE2 2.87Å; A317-N452 VanDerWaalsContact CA-OD1 3.24Å; A317-N452 WeakPolarHBondContact CA-OD1 3.47Å; A317-N452 VanDerWaalsContact CB-OD1 3.23Å; A317-N452 WeakPolarHBondContact CB-OD1 3.23Å; A317-N452 PolarHBondContact O-ND2 2.74Å
318	F	85.4	Confident	92.1	Very high	15 Å²	15	18.5 Å²	18.5	7%	0.066	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-106.2	6.5	166.1	-58.2	-83.9	0	0	0	112.1	F316 W320 L349 M537 L555	F316-F318 PolarHBondContact O-N 2.82Å; F318-W320 VanDerWaalsContact O-CZ3 3.24Å; F318-W320 WeakPolarHBondContact O-CZ3 3.38Å; F318-L349 HydrophobicContact CD1-CD1 4.41Å; F318-L349 HydrophobicContact CD1-CD2 4.43Å; F318-L349 HydrophobicContact CD2-CD2 4.37Å; F318-L349 HydrophobicContact CE1-CD1 4.31Å; F318-L349 HydrophobicContact CE1-CD2 3.67Å; F318-L349 HydrophobicContact CE2-CD2 3.57Å; F318-L349 HydrophobicContact CZ-CD2 3.18Å; F318-L349 HydrophobicContact CZ-CG 4.48Å; F318-M537 HydrophobicContact CB-CE 4.23Å; F318-M537 HydrophobicContact CB-CG 4.08Å; F318-M537 HydrophobicContact CB-SD 4.16Å; F318-M537 VanDerWaalsContact O-CA 3.28Å; F318-M537 WeakPolarHBondContact O-CA 3.49Å; F318-M537 WeakPolarHBondContact O-CB 3.42Å; F318-M537 WeakPolarHBondContact O-CG 3.42Å; F318-L555 HydrophobicContact CB-CD1 4.23Å; F318-L555 HydrophobicContact CD1-CD1 3.66Å; F318-L555 HydrophobicContact CD1-CG 4.44Å; F318-L555 HydrophobicContact CE1-CD1 4.25Å; F318-L555 HydrophobicContact CG-CD1 4.16Å
319	L	89.1	Confident	92.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.			trans	-110.3	118.9	-172.1	-69.7	167.3	0	0	0	111	F316 I533 K536 M537 C562 F566	F316-L319 HydrophobicContact CD1-CD1 3.7Å; F316-L319 HydrophobicContact CE1-CD1 4.26Å; F316-L319 HydrophobicContact CG-CD1 4.38Å; F316-L319 WeakPolarHBondContact O-CB 3.28Å; F316-L319 PolarHBondContact O-N 2.65Å; L319-I533 HydrophobicContact CD2-CG2 4.01Å; L319-K536 WeakPolarHBondContact CA-O 3.3Å; L319-K536 HydrophobicContact CD2-CB 3.69Å; L319-M537 HydrophobicContact CD1-CE 4.24Å; L319-M537 HydrophobicContact CD2-CB 4.45Å; L319-M537 HydrophobicContact CD2-CE 3.93Å; L319-M537 HydrophobicContact CD2-CG 3.35Å; L319-M537 HydrophobicContact CD2-SD 4.49Å; L319-M537 HydrophobicContact CG-CE 3.88Å; L319-M537 HydrophobicContact CG-CG 3.96Å; L319-C562 HydrophobicContact CD1-CB 4.34Å; L319-F566 HydrophobicContact CD1-CE2 3.6Å; L319-F566 HydrophobicContact CD1-CZ 3.76Å
320	W	93.4	Very high	92.1	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.102	C	C	.	.			trans	-66.7	136.1	165.6	-73.1	-114	0	0	0	108	H298 F318 E358 L371 L449 H451 K536 V539 F542	H298-W320 PolarHBondContact CE1-O 2.7Å; H298-W320 PolarHBondContact NE2-O 3.15Å; F318-W320 VanDerWaalsContact O-CZ3 3.24Å; F318-W320 WeakPolarHBondContact O-CZ3 3.38Å; W320-E358 PolarHBondContact NE1-OE2 2.66Å; W320-L371 HydrophobicContact CB-CD2 4.04Å; W320-L449 HydrophobicContact CB-CD1 3.78Å; W320-L449 HydrophobicContact CB-CD2 4.26Å; W320-L449 HydrophobicContact CB-CG 4.06Å; W320-L449 HydrophobicContact CG-CD2 4.33Å; W320-L449 HydrophobicContact CG-CG 4.42Å; W320-H451 HydrophobicContact CD2-CB 3.92Å; W320-H451 AromaticContact CD2-CD2 3.83Å; W320-H451 AromaticContact CD2-CG 3.79Å; W320-H451 AromaticContact CE2-CG 3.59Å; W320-H451 AromaticContact CE2-ND1 3.78Å; W320-H451 AromaticContact CE3-CD2 3.74Å; W320-H451 AromaticContact CE3-NE2 4Å; W320-H451 HydrophobicContact CG-CB 3.91Å; W320-H451 AromaticContact CH2-CD2 3.91Å; W320-H451 AromaticContact CH2-CE1 3.28Å; W320-H451 WeakPolarHBondContact CH2-CE1 3.43Å; W320-H451 AromaticContact CH2-CG 3.9Å; W320-H451 AromaticContact CH2-ND1 3.52Å; W320-H451 AromaticContact CH2-NE2 3.55Å; W320-H451 HydrophobicContact CZ2-CB 4.2Å; W320-H451 AromaticContact CZ2-CE1 3.64Å; W320-H451 AromaticContact CZ2-CG 3.66Å; W320-H451 AromaticContact CZ2-ND1 3.35Å; W320-H451 VanDerWaalsContact CZ2-ND1 3.35Å; W320-H451 WeakPolarHBondContact CZ2-ND1 3.12Å; W320-H451 AromaticContact CZ3-CD2 3.78Å; W320-H451 AromaticContact CZ3-CE1 3.79Å; W320-H451 AromaticContact CZ3-NE2 3.54Å; W320-K536 PolarHBondContact N-O 3.35Å; W320-K536 VanDerWaalsContact N-O 3.09Å; W320-V539 HydrophobicContact CB-CG2 4.04Å; W320-V539 HydrophobicContact CD2-CB 4.32Å; W320-V539 HydrophobicContact CD2-CG2 3.66Å; W320-V539 HydrophobicContact CE3-CG2 4.06Å; W320-V539 HydrophobicContact CG-CG2 3.61Å; W320-F542 HydrophobicContact CH2-CB 3.74Å; W320-F542 AromaticContact CH2-CD1 3.3Å; W320-F542 HydrophobicContact CH2-CD1 3.3Å; W320-F542 AromaticContact CH2-CD2 3.43Å; W320-F542 HydrophobicContact CH2-CD2 3.43Å; W320-F542 VanDerWaalsContact CH2-CD2 3.43Å; W320-F542 AromaticContact CH2-CE1 3.53Å; W320-F542 HydrophobicContact CH2-CE1 3.53Å; W320-F542 AromaticContact CH2-CE2 3.64Å; W320-F542 HydrophobicContact CH2-CE2 3.64Å; W320-F542 AromaticContact CH2-CG 3.21Å; W320-F542 HydrophobicContact CH2-CG 3.21Å; W320-F542 AromaticContact CH2-CZ 3.68Å; W320-F542 HydrophobicContact CH2-CZ 3.68Å; W320-F542 HydrophobicContact CZ2-CB 3.82Å; W320-F542 HydrophobicContact CZ2-CD1 4.24Å; W320-F542 AromaticContact CZ2-CD2 3.81Å; W320-F542 HydrophobicContact CZ2-CD2 3.81Å; W320-F542 HydrophobicContact CZ2-CE2 4.31Å; W320-F542 AromaticContact CZ2-CG 3.73Å; W320-F542 HydrophobicContact CZ2-CG 3.73Å; W320-F542 AromaticContact CZ3-CD1 3.7Å; W320-F542 HydrophobicContact CZ3-CD1 3.7Å; W320-F542 AromaticContact CZ3-CE1 3.84Å; W320-F542 HydrophobicContact CZ3-CE1 3.84Å; W320-F542 HydrophobicContact CZ3-CG 4.06Å; W320-F542 HydrophobicContact CZ3-CZ 4.31Å
321	A	95.2	Very high	92.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	110.7	-173.8	0	0	0	0	0	109.2	H298 F299 C450	H298-A321 WeakPolarHBondContact NE2-CA 3.35Å; H298-A321 WeakPolarHBondContact NE2-CB 3.31Å; F299-A321 HydrophobicContact CB-CB 4.05Å; F299-A321 HydrophobicContact CD2-CB 3.81Å; F299-A321 WeakPolarHBondContact CD2-O 3.25Å; F299-A321 HydrophobicContact CG-CB 4.42Å; A321-C450 PolarHBondContact N-O 3.44Å; A321-C450 PolarHBondContact O-N 2.93Å
322	G	96.6	Very high	92.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	154.3	-178.8	0	0	0	0	0	113.8	C295 D296 M370 V448	C295-G322 WeakPolarHBondContact CA-O 3.46Å; D296-G322 PolarHBondContact N-O 2.87Å; D296-G322 PolarHBondContact OD2-N 2.81Å; G322-M370 WeakPolarHBondContact CA-O 3.37Å; G322-V448 WeakPolarHBondContact CA-O 3.49Å
323	G	96.6	Very high	92.8	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	138.9	171.7	0	0	0	0	0	112.9	H447 V448	G323-H447 PolarHBondContact O-CD2 2.98Å; G323-V448 PolarHBondContact N-O 3.03Å; G323-V448 PolarHBondContact O-N 3.36Å
324	R	97.4	Very high	93.4	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.008	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	161.6	176.9	-58	-169.1	-168.1	123.4	-7.4	112.3	D291 N294 S364 L365 T366 S368 G369 M370 P446 H447	D291-R324 PolarHBondContact N-O 2.86Å; N294-R324 PolarHBondContact O-N 2.9Å; N294-R324 PolarHBondContact OD1-NH1 3.24Å; R324-S364 PolarHBondContact NE-OG 3.22Å; R324-S364 VanDerWaalsContact NE-OG 3.1Å; R324-L365 PolarHBondContact NH2-O 3.07Å; R324-T366 PolarHBondContact NH1-O 2.85Å; R324-S368 PolarHBondContact NH2-O 2.95Å; R324-G369 PolarHBondContact NH2-O 2.77Å; R324-M370 HydrophobicContact CG-CE 4.25Å; R324-P446 CarbonylContact C-O 3.58Å; R324-P446 VanDerWaalsContact CA-O 3.24Å; R324-P446 WeakPolarHBondContact CA-O 3.11Å; R324-H447 HydrophobicContact CG-CB 4.02Å
325	A	97.5	Very high	94.2	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.008	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	160.7	164.5	0	0	0	0	0	112.1	V288 C289 Y327 P446 F459	V288-A325 HydrophobicContact CG1-CB 4.02Å; C289-A325 CarbonylContact O-C 3.47Å; C289-A325 VanDerWaalsContact O-CA 3.25Å; C289-A325 WeakPolarHBondContact O-CA 3.22Å; A325-Y327 VanDerWaalsContact C-N 3.25Å; A325-Y327 PolarHBondContact O-N 3.32Å; A325-P446 HydrophobicContact CB-CB 3.82Å; A325-P446 HydrophobicContact CB-CG 3.99Å; A325-P446 PolarHBondContact N-O 3.38Å; A325-F459 HydrophobicContact CB-CE1 4Å; A325-F459 HydrophobicContact CB-CZ 4.1Å
326	S	96.8	Very high	95	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.014	7%	0.067	C	C	.	.	S	Bend	trans	-69.4	-19	178	38	0	0	0	0	113.7	V287 C289 R486 G487	V287-S326 PolarHBondContact O-OG 2.85Å; C289-S326 PolarHBondContact N-OG 3.38Å; C289-S326 PolarHBondContact O-N 2.85Å; C289-S326 PolarHBondContact O-OG 3.13Å; S326-R486 VanDerWaalsContact CB-NH1 3.34Å; S326-R486 WeakPolarHBondContact O-CD 3.34Å; S326-R486 PolarHBondContact O-NH1 3.1Å; S326-G487 PolarHBondContact O-N 3.39Å
327	Y	97.9	Very high	95.5	Very high	14 Å²	14	12.2 Å²	12.2	6%	0.055	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.9	-179.9	-77.9	-84.6	0	0	0	112.1	D285 V288 A325 F445 P446 L481 R484 V485 R486	D285-Y327 WeakPolarHBondContact O-CE2 3.24Å; D285-Y327 PolarHBondContact O-OH 2.99Å; V288-Y327 HydrophobicContact CG2-CD2 3.92Å; V288-Y327 HydrophobicContact CG2-CG 4.24Å; A325-Y327 VanDerWaalsContact C-N 3.25Å; A325-Y327 PolarHBondContact O-N 3.32Å; Y327-F445 WeakPolarHBondContact O-CD1 3.13Å; Y327-P446 WeakPolarHBondContact O-CD 3.4Å; Y327-L481 HydrophobicContact CE1-CD1 4.15Å; Y327-L481 WeakPolarHBondContact OH-CD1 3.48Å; Y327-R484 HydrophobicContact CD1-CB 3.35Å; Y327-R484 HydrophobicContact CD1-CG 4.44Å; Y327-R484 HydrophobicContact CE1-CB 3.88Å; Y327-R484 HydrophobicContact CG-CB 4Å; Y327-V485 WeakPolarHBondContact CA-O 3.48Å; Y327-R486 HydrophobicContact CD1-CB 4.13Å; Y327-R486 HydrophobicContact CE1-CB 3.72Å; Y327-R486 HydrophobicContact CE1-CG 4.33Å; Y327-R486 VanDerWaalsContact CZ-CD 3.42Å
328	G	97.8	Very high	96	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	171.7	169.9	0	0	0	0	0	111.4	L444 F445 V485	G328-L444 CarbonylContact C-O 3.07Å; G328-L444 WeakPolarHBondContact CA-O 3.37Å; G328-F445 VanDerWaalsContact N-CD1 3.32Å; G328-V485 PolarHBondContact N-O 3Å; G328-V485 PolarHBondContact O-N 3.3Å
329	V	97.5	Very high	96.6	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-137.2	157.1	-174.4	-72.9	0	0	0	0	111.3	V334 W363 F412 P443 L444 I476 V479	V329-V334 HydrophobicContact CB-CG2 4.38Å; V329-V334 HydrophobicContact CG1-CG1 4.41Å; V329-V334 HydrophobicContact CG1-CG2 4.4Å; V329-V334 HydrophobicContact CG2-CB 4.06Å; V329-V334 HydrophobicContact CG2-CG1 3.99Å; V329-V334 HydrophobicContact CG2-CG2 4.09Å; V329-W363 HydrophobicContact CG2-CZ3 4.22Å; V329-F412 HydrophobicContact CG2-CE2 3.86Å; V329-F412 HydrophobicContact CG2-CZ 4.22Å; V329-F412 VanDerWaalsContact O-CZ 3.32Å; V329-F412 WeakPolarHBondContact O-CZ 3.16Å; V329-P443 CarbonylContact O-C 3.11Å; V329-P443 VanDerWaalsContact O-CA 3.27Å; V329-P443 WeakPolarHBondContact O-CA 3.17Å; V329-L444 PolarHBondContact N-O 2.89Å; V329-L444 PolarHBondContact O-N 3.49Å; V329-I476 HydrophobicContact CG1-CD1 4.07Å; V329-I476 HydrophobicContact CG1-CG1 4.03Å; V329-I476 HydrophobicContact CG2-CD1 4.3Å; V329-V479 HydrophobicContact CG1-CG1 4.36Å
330	S	96.1	Very high	97.1	Very high	47 Å²	47	13.8 Å²	13.8	33%	0.329	7%	0.073	S	C	.	.			trans	-136.9	7.1	-179.2	53.7	0	0	0	0	114.6	F412	S330-F412 VanDerWaalsContact C-CD1 3.5Å; S330-F412 WeakPolarHBondContact O-CD1 3.31Å
331	K	95	Very high	97.3	Very high	108 Å²	108	16.3 Å²	16.3	47%	0.47	9%	0.089	S	C	.	.	S	Bend	trans	-153.9	163.8	179.7	56.7	166.2	171.4	157.1	0	112.5	D483	K331-D483 WeakPolarHBondContact CE-OD1 3.47Å; K331-D483 WeakPolarHBondContact CE-OD2 3.32Å; K331-D483 IonicContact NZ-OD1 2.68Å; K331-D483 PolarHBondContact NZ-OD1 3.44Å; K331-D483 IonicContact NZ-OD2 3.31Å; K331-D483 PolarHBondContact NZ-OD2 3.06Å
332	G	95.3	Very high	97.3	Very high	23 Å²	23	20.5 Å²	20.5	24%	0.237	11%	0.108	C	C	.	.	S	Bend	trans	77.8	-168.8	-179.6	0	0	0	0	0	113.8	F412	G332-F412 WeakPolarHBondContact O-CB 3.32Å; G332-F412 WeakPolarHBondContact O-CD2 3.5Å; G332-F412 PolarHBondContact O-N 3.39Å
333	K	97.6	Very high	97.3	Very high	38 Å²	38	22.5 Å²	22.5	17%	0.165	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	110.2	171.2	-79.4	168.8	-177.8	154.4	0	109.8	N411 E413 E472 Y473 T474	K333-N411 HydrophobicContact CG-CB 4.23Å; K333-E413 WeakPolarHBondContact CD-OE2 3.37Å; K333-E413 WeakPolarHBondContact CE-OE2 3.34Å; K333-E413 HydrophobicContact CG-CG 4.29Å; K333-E413 IonicContact NZ-OE2 3.06Å; K333-E413 PolarHBondContact NZ-OE2 3.43Å; K333-E472 VanDerWaalsContact CB-O 3.25Å; K333-E472 WeakPolarHBondContact CB-O 3.41Å; K333-E472 HydrophobicContact CD-CB 4.18Å; K333-E472 HydrophobicContact CD-CG 4.15Å; K333-E472 WeakPolarHBondContact CE-OE2 3.11Å; K333-E472 IonicContact NZ-OE2 2.72Å; K333-E472 PolarHBondContact NZ-OE2 3.14Å; K333-Y473 HydrophobicContact CB-CD1 3.66Å; K333-Y473 HydrophobicContact CB-CE1 3.76Å; K333-Y473 HydrophobicContact CB-CG 4.11Å; K333-Y473 HydrophobicContact CG-CD1 4.44Å; K333-Y473 HydrophobicContact CG-CE1 4.08Å; K333-T474 PolarHBondContact O-N 3.38Å
334	V	98.1	Very high	97.1	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.018	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.8	-168.9	-174.5	0	0	0	0	111.5	V329 W363 A410 T474 I476 V479	V329-V334 HydrophobicContact CB-CG2 4.38Å; V329-V334 HydrophobicContact CG1-CG1 4.41Å; V329-V334 HydrophobicContact CG1-CG2 4.4Å; V329-V334 HydrophobicContact CG2-CB 4.06Å; V329-V334 HydrophobicContact CG2-CG1 3.99Å; V329-V334 HydrophobicContact CG2-CG2 4.09Å; V334-W363 HydrophobicContact CG1-CH2 4.47Å; V334-A410 PolarHBondContact N-O 3.48Å; V334-A410 PolarHBondContact O-N 3.06Å; V334-T474 CarbonylContact C-O 3.47Å; V334-T474 VanDerWaalsContact CA-O 3.27Å; V334-T474 WeakPolarHBondContact CA-O 3.43Å; V334-I476 HydrophobicContact CG1-CB 3.66Å; V334-I476 HydrophobicContact CG1-CG1 4.05Å; V334-V479 HydrophobicContact CG1-CG2 4.1Å; V334-V479 HydrophobicContact CG2-CG2 3.91Å
335	C	98.3	Very high	96.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	163.7	178.1	68.5	0	0	0	0	114.7	T407 C408 F409 Y473 T474 F475 I476	C335-T407 HydrophobicContact CB-CG2 4.39Å; C335-C408 WeakPolarHBondContact CA-O 3.26Å; C335-F409 HydrophobicContact CB-CD1 3.6Å; C335-F409 HydrophobicContact CB-CE1 3.9Å; C335-Y473 HydrophobicContact CB-CD1 4.45Å; C335-T474 PolarHBondContact N-O 3.43Å; C335-F475 WeakPolarHBondContact O-CA 3.45Å; C335-I476 PolarHBondContact O-N 3.02Å
336	F	98.6	Very high	96.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	158.3	163.7	70.4	-77.5	0	0	0	110.4	I361 W363 T407 C408 P446 F457 F459 I476	F336-I361 HydrophobicContact CE2-CD1 3.6Å; F336-I361 HydrophobicContact CE2-CG1 4.03Å; F336-I361 HydrophobicContact CZ-CD1 4.04Å; F336-I361 HydrophobicContact CZ-CG1 4Å; F336-W363 AromaticContact CD1-CH2 3.72Å; F336-W363 HydrophobicContact CD1-CH2 3.72Å; F336-W363 AromaticContact CD1-CZ2 3.7Å; F336-W363 HydrophobicContact CD1-CZ2 3.7Å; F336-W363 HydrophobicContact CD1-CZ3 4.37Å; F336-W363 HydrophobicContact CE1-CD2 4.16Å; F336-W363 AromaticContact CE1-CE2 3.76Å; F336-W363 HydrophobicContact CE1-CE3 4.35Å; F336-W363 AromaticContact CE1-CH2 3.86Å; F336-W363 HydrophobicContact CE1-CH2 3.86Å; F336-W363 AromaticContact CE1-CZ2 3.61Å; F336-W363 HydrophobicContact CE1-CZ2 3.61Å; F336-W363 HydrophobicContact CE1-CZ3 4.22Å; F336-T407 WeakPolarHBondContact O-CA 2.78Å; F336-C408 HydrophobicContact CD1-CB 3.91Å; F336-C408 HydrophobicContact CE1-CB 3.46Å; F336-C408 VanDerWaalsContact CE1-CB 3.46Å; F336-C408 HydrophobicContact CE2-CB 4.4Å; F336-C408 HydrophobicContact CZ-CB 3.73Å; F336-C408 PolarHBondContact N-O 2.84Å; F336-C408 VanDerWaalsContact N-O 3.08Å; F336-C408 PolarHBondContact O-N 3.05Å; F336-P446 HydrophobicContact CD1-CB 3.95Å; F336-P446 HydrophobicContact CD1-CG 3.83Å; F336-P446 HydrophobicContact CD2-CB 4.19Å; F336-P446 HydrophobicContact CE1-CB 3.59Å; F336-P446 HydrophobicContact CE1-CG 3.84Å; F336-P446 HydrophobicContact CE2-CB 3.83Å; F336-P446 HydrophobicContact CG-CB 4.24Å; F336-P446 HydrophobicContact CG-CG 4.29Å; F336-P446 HydrophobicContact CZ-CB 3.54Å; F336-P446 HydrophobicContact CZ-CG 4.31Å; F336-F457 HydrophobicContact CD2-CD1 4.11Å; F336-F457 HydrophobicContact CE2-CD1 4.14Å; F336-F457 HydrophobicContact CE2-CE1 4.08Å; F336-F459 HydrophobicContact CB-CD1 3.75Å; F336-F459 HydrophobicContact CB-CE1 4.34Å; F336-F459 HydrophobicContact CD2-CD1 4.07Å; F336-F459 AromaticContact CD2-CE1 3.78Å; F336-F459 HydrophobicContact CD2-CE1 3.78Å; F336-F459 HydrophobicContact CE2-CE1 4.36Å; F336-F459 HydrophobicContact CG-CD1 4.1Å; F336-F459 HydrophobicContact CG-CE1 4.2Å; F336-I476 HydrophobicContact CB-CG2 4.26Å
337	E	98.3	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149.8	175.7	-61.8	171.1	116	0	0	111	V405 I406 T407 F457 N458 P465 Y466 F467 F475	E337-V405 HydrophobicContact CB-CG1 3.99Å; E337-V405 HydrophobicContact CG-CG1 4.39Å; E337-I406 WeakPolarHBondContact CA-O 3.24Å; E337-T407 HydrophobicContact CG-CG2 4.08Å; E337-F457 WeakPolarHBondContact O-CA 3.37Å; E337-N458 HydrophobicContact CB-CB 4.23Å; E337-N458 PolarHBondContact N-O 3.18Å; E337-N458 PolarHBondContact O-N 2.91Å; E337-N458 PolarHBondContact OE2-ND2 2.81Å; E337-P465 WeakPolarHBondContact OE2-CA 3.37Å; E337-P465 WeakPolarHBondContact OE2-CB 3.47Å; E337-Y466 HydrophobicContact CB-CD2 4.24Å; E337-Y466 WeakPolarHBondContact OE1-CB 3.31Å; E337-Y466 PolarHBondContact OE1-N 2.83Å; E337-Y466 WeakPolarHBondContact OE2-CD2 3.46Å; E337-Y466 PolarHBondContact OE2-N 2.74Å; E337-Y466 VanDerWaalsContact OE2-N 3.16Å; E337-F467 PolarHBondContact OE1-N 2.9Å; E337-F467 VanDerWaalsContact OE1-N 3.07Å; E337-F475 HydrophobicContact CG-CE1 4.02Å; E337-F475 HydrophobicContact CG-CZ 4Å
338	M	98.3	Very high	94.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.2	165	178.5	-156	66.4	0	0	110.6	V340 V359 I361 F400 V405 I406 V448 V455 E456 F457	M338-V340 HydrophobicContact CE-CG2 4.03Å; M338-V359 HydrophobicContact CE-CG1 3.77Å; M338-V359 HydrophobicContact SD-CG1 3.89Å; M338-I361 HydrophobicContact CB-CD1 3.21Å; M338-I361 HydrophobicContact CE-CB 4.09Å; M338-I361 HydrophobicContact CE-CD1 3.88Å; M338-I361 HydrophobicContact CE-CG2 4Å; M338-I361 HydrophobicContact CG-CD1 3.93Å; M338-I361 HydrophobicContact SD-CB 4.16Å; M338-I361 HydrophobicContact SD-CD1 3.62Å; M338-I361 HydrophobicContact SD-CG1 4.35Å; M338-F400 HydrophobicContact CE-CE2 4.32Å; M338-V405 CarbonylContact O-C 3.58Å; M338-V405 WeakPolarHBondContact O-CA 3.01Å; M338-I406 HydrophobicContact CE-CG1 4.47Å; M338-I406 PolarHBondContact N-O 3.16Å; M338-I406 PolarHBondContact O-N 2.76Å; M338-V448 HydrophobicContact SD-CG2 3.84Å; M338-V455 HydrophobicContact CG-CB 3.99Å; M338-V455 HydrophobicContact CG-CG1 4.18Å; M338-V455 HydrophobicContact SD-CB 3.95Å; M338-V455 HydrophobicContact SD-CG1 3.58Å; M338-V455 VanDerWaalsContact SD-CG1 3.58Å; M338-E456 CarbonylContact C-O 3.46Å; M338-E456 VanDerWaalsContact CA-O 3.25Å; M338-E456 WeakPolarHBondContact CA-O 3.49Å; M338-F457 HydrophobicContact CB-CD1 3.83Å; M338-F457 HydrophobicContact CB-CE1 3.64Å; M338-F457 HydrophobicContact CB-CZ 4.33Å; M338-F457 HydrophobicContact CG-CD1 4.08Å; M338-F457 HydrophobicContact CG-CE1 3.61Å; M338-F457 HydrophobicContact CG-CE2 4.41Å; M338-F457 HydrophobicContact CG-CZ 3.76Å; M338-F457 HydrophobicContact SD-CE1 4.14Å; M338-F457 HydrophobicContact SD-CZ 4.02Å
339	K	98.2	Very high	93.5	Very high	46 Å²	46	43.4 Å²	43.4	20%	0.2	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.4	166.7	-172.9	179.7	175.8	-169.2	0	110.4	T341 N403 D404 V405 V455 E456 Y466	K339-T341 HydrophobicContact CD-CG2 4.49Å; K339-T341 HydrophobicContact CG-CG2 4.44Å; K339-N403 VanDerWaalsContact CE-CA 3.46Å; K339-N403 VanDerWaalsContact CE-OD1 3.25Å; K339-N403 WeakPolarHBondContact CE-OD1 3.22Å; K339-N403 PolarHBondContact NZ-OD1 3.45Å; K339-D404 WeakPolarHBondContact CA-O 3.35Å; K339-V405 HydrophobicContact CB-CG2 3.96Å; K339-V405 HydrophobicContact CD-CG2 4.44Å; K339-V405 HydrophobicContact CG-CG2 3.97Å; K339-V455 WeakPolarHBondContact O-CA 3.49Å; K339-E456 HydrophobicContact CB-CB 4.49Å; K339-E456 PolarHBondContact N-O 3.04Å; K339-E456 PolarHBondContact O-N 3.13Å; K339-Y466 HydrophobicContact CB-CE1 4.32Å; K339-Y466 HydrophobicContact CD-CE1 3.91Å
340	V	98.1	Very high	91.6	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.9	163.8	-176.6	0	0	0	0	108.3	M338 V359 F400 N403 D404	M338-V340 HydrophobicContact CE-CG2 4.03Å; V340-V359 HydrophobicContact CG2-CG2 4.38Å; V340-F400 HydrophobicContact CG2-CD2 3.96Å; V340-F400 HydrophobicContact CG2-CE2 3.83Å; V340-N403 WeakPolarHBondContact O-CA 3.35Å; V340-N403 PolarHBondContact O-N 2.83Å; V340-D404 PolarHBondContact N-O 2.91Å; V340-D404 VanDerWaalsContact N-O 3.09Å
341	T	97.5	Very high	90	Very high	54 Å²	54	51.6 Å²	51.6	33%	0.331	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-32.1	-173	56.9	0	0	0	0	114.4	K339 A454 V455 E456	K339-T341 HydrophobicContact CD-CG2 4.49Å; K339-T341 HydrophobicContact CG-CG2 4.44Å; T341-A454 PolarHBondContact N-O 3.29Å; T341-A454 WeakPolarHBondContact OG1-CB 3.38Å; T341-A454 PolarHBondContact OG1-O 3.31Å; T341-V455 PolarHBondContact OG1-N 3.48Å; T341-E456 HydrophobicContact CG2-CB 3.65Å
342	E	96.3	Very high	88.4	Confident	87 Å²	87	54.3 Å²	54.3	41%	0.407	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	136	-179.4	-168.7	-169	162.7	0	0	111.3	I344 C453 A454	E342-I344 HydrophobicContact CB-CG1 4.46Å; E342-I344 HydrophobicContact CG-CG1 4.24Å; E342-C453 CarbonylContact O-C 3.47Å; E342-C453 VanDerWaalsContact O-CA 3.32Å; E342-C453 WeakPolarHBondContact O-CA 3.39Å; E342-A454 HydrophobicContact CB-CB 4.05Å; E342-A454 PolarHBondContact O-N 2.9Å
343	K	95.2	Very high	87.1	Confident	43 Å²	43	57.6 Å²	57.6	19%	0.187	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	86.9	160.6	-76.9	-179.9	171.1	174.3	0	108.6	P345 H357 D401 E402	K343-P345 VanDerWaalsContact O-CD 3.29Å; K343-P345 WeakPolarHBondContact O-CD 3.3Å; K343-H357 VanDerWaalsContact C-NE2 3.35Å; K343-H357 HydrophobicContact CB-CB 4.5Å; K343-H357 HydrophobicContact CD-CB 4.05Å; K343-H357 HydrophobicContact CG-CB 4.07Å; K343-H357 PolarHBondContact O-NE2 2.92Å; K343-D401 WeakPolarHBondContact CD-OD1 3.48Å; K343-D401 WeakPolarHBondContact CE-OD1 3.29Å; K343-D401 IonicContact NZ-OD1 2.86Å; K343-D401 PolarHBondContact NZ-OD1 3.18Å; K343-D401 IonicContact NZ-OD2 2.91Å; K343-D401 PolarHBondContact NZ-OD2 3.38Å; K343-E402 HydrophobicContact CB-CG 4.2Å; K343-E402 WeakPolarHBondContact CB-OE1 3.24Å; K343-E402 HydrophobicContact CD-CG 4.24Å; K343-E402 HydrophobicContact CG-CG 3.93Å; K343-E402 PolarHBondContact N-OE1 2.91Å
344	I	94	Very high	85.9	Confident	24 Å²	24	56.4 Å²	56.4	12%	0.123	26%	0.262	C	S	.	.			trans	-55	117.8	-169.2	-54.6	167.9	0	0	0	110.5	T312 E342 V346 H357 N452 A454	T312-I344 HydrophobicContact CG2-CB 3.92Å; T312-I344 HydrophobicContact CG2-CD1 3.95Å; T312-I344 HydrophobicContact CG2-CG2 3.77Å; E342-I344 HydrophobicContact CB-CG1 4.46Å; E342-I344 HydrophobicContact CG-CG1 4.24Å; I344-V346 WeakPolarHBondContact O-CG2 3.41Å; I344-V346 PolarHBondContact O-N 3.08Å; I344-H357 PolarHBondContact O-NE2 3.45Å; I344-N452 WeakPolarHBondContact CA-O 3.12Å; I344-N452 VanDerWaalsContact CB-O 3.24Å; I344-N452 WeakPolarHBondContact CB-O 3.41Å; I344-N452 PolarHBondContact N-O 3.21Å; I344-A454 HydrophobicContact CD1-CB 4.32Å; I344-A454 HydrophobicContact CG1-CB 4.5Å
345	P	89.4	Confident	84.9	Confident	87 Å²	87	59.1 Å²	59.1	57%	0.565	28%	0.276	S	S	*	.			trans	-73	110	-171.2	-23.8	35.5	0	0	0	115	K343 R347	K343-P345 VanDerWaalsContact O-CD 3.29Å; K343-P345 WeakPolarHBondContact O-CD 3.3Å; P345-R347 PolarHBondContact O-N 3Å
346	V	87.1	Confident	84.4	Confident	10 Å²	10	60.4 Å²	60.4	6%	0.061	28%	0.283	C	S	.	.			trans	-94.2	79.3	-175.2	-161.3	0	0	0	0	113.4	T312 A317 I344 H348 L349 I356 N452	T312-V346 HydrophobicContact CG2-CG2 4.41Å; A317-V346 HydrophobicContact CB-CB 4.38Å; A317-V346 HydrophobicContact CB-CG1 3.41Å; A317-V346 VanDerWaalsContact CB-CG1 3.41Å; A317-V346 HydrophobicContact CB-CG2 4.15Å; I344-V346 WeakPolarHBondContact O-CG2 3.41Å; I344-V346 PolarHBondContact O-N 3.08Å; V346-H348 WeakPolarHBondContact CG1-CE1 3.29Å; V346-H348 PolarHBondContact O-N 2.86Å; V346-L349 HydrophobicContact CB-CB 4.37Å; V346-L349 HydrophobicContact CB-CD1 4.38Å; V346-L349 HydrophobicContact CB-CG 4.32Å; V346-L349 HydrophobicContact CG1-CB 4.14Å; V346-L349 HydrophobicContact CG1-CD1 3.91Å; V346-L349 HydrophobicContact CG1-CG 3.65Å; V346-L349 PolarHBondContact O-N 2.85Å; V346-I356 HydrophobicContact CB-CD1 4.07Å; V346-I356 HydrophobicContact CG2-CD1 4.27Å; V346-N452 HydrophobicContact CG2-CB 3.75Å; V346-N452 VanDerWaalsContact CG2-CG 3.49Å; V346-N452 WeakPolarHBondContact CG2-OD1 3.41Å
347	R	81.5	Confident	84.1	Confident	232 Å²	232	61.8 Å²	61.8	88%	0.875	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.8	-171.4	-60.1	-175.9	-175.7	-172.7	0.7	116.1	P345	P345-R347 PolarHBondContact O-N 3Å
348	H	78.1	Confident	83.8	Confident	92 Å²	92	62.3 Å²	62.3	43%	0.426	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.7	176.5	58.8	-84.2	0	0	0	114.1	T312 E314 V346	T312-H348 PolarHBondContact O-CE1 3.03Å; T312-H348 VanDerWaalsContact O-CE1 3.23Å; E314-H348 PolarHBondContact O-CD2 3.37Å; E314-H348 PolarHBondContact O-NE2 2.79Å; V346-H348 WeakPolarHBondContact CG1-CE1 3.29Å; V346-H348 PolarHBondContact O-N 2.86Å
349	L	74.4	Confident	83.7	Confident	14 Å²	14	62.4 Å²	62.4	7%	0.073	29%	0.292	C	S	.	.			trans	-99.6	75.6	167.8	-62.7	-169.7	0	0	0	109.8	A317 F318 V346 T351 I356	A317-L349 HydrophobicContact CB-CD1 3.64Å; A317-L349 HydrophobicContact CB-CG 4.26Å; A317-L349 VanDerWaalsContact O-CD1 3.23Å; A317-L349 WeakPolarHBondContact O-CD1 3.01Å; F318-L349 HydrophobicContact CD1-CD1 4.41Å; F318-L349 HydrophobicContact CD1-CD2 4.43Å; F318-L349 HydrophobicContact CD2-CD2 4.37Å; F318-L349 HydrophobicContact CE1-CD1 4.31Å; F318-L349 HydrophobicContact CE1-CD2 3.67Å; F318-L349 HydrophobicContact CE2-CD2 3.57Å; F318-L349 HydrophobicContact CZ-CD2 3.18Å; F318-L349 HydrophobicContact CZ-CG 4.48Å; V346-L349 HydrophobicContact CB-CB 4.37Å; V346-L349 HydrophobicContact CB-CD1 4.38Å; V346-L349 HydrophobicContact CB-CG 4.32Å; V346-L349 HydrophobicContact CG1-CB 4.14Å; V346-L349 HydrophobicContact CG1-CD1 3.91Å; V346-L349 HydrophobicContact CG1-CG 3.65Å; V346-L349 PolarHBondContact O-N 2.85Å; L349-T351 VanDerWaalsContact C-N 3.3Å; L349-T351 PolarHBondContact O-N 2.7Å; L349-I356 HydrophobicContact CB-CD1 4.37Å; L349-I356 HydrophobicContact CD1-CG2 4.3Å
350	Y	58.2	Low	83.7	Confident	184 Å²	184	60.6 Å²	60.6	72%	0.722	28%	0.284	S	S	*	.			trans	-80.6	80.2	175.5	-158.8	-91.8	0	0	0	110.8	K352	Y350-K352 HydrophobicContact CE1-CD 4.49Å; Y350-K352 HydrophobicContact CE1-CG 4.1Å; Y350-K352 WeakPolarHBondContact OH-CE 3.21Å
351	T	61.8	Low	83.7	Confident	36 Å²	36	60.5 Å²	60.5	22%	0.221	28%	0.283	C	S	.	.			trans	-129.5	89.5	-179.3	50.1	0	0	0	0	110	L349 D353 I354	L349-T351 VanDerWaalsContact C-N 3.3Å; L349-T351 PolarHBondContact O-N 2.7Å; T351-D353 PolarHBondContact O-N 2.77Å; T351-D353 VanDerWaalsContact O-N 3.11Å; T351-I354 HydrophobicContact CG2-CD1 3.76Å; T351-I354 PolarHBondContact O-N 3.02Å
352	K	62.5	Low	83.7	Confident	165 Å²	165	57.9 Å²	57.9	72%	0.717	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.7	-179.9	-67.6	-172.6	178.1	-178.2	0	114	Y350	Y350-K352 HydrophobicContact CE1-CD 4.49Å; Y350-K352 HydrophobicContact CE1-CG 4.1Å; Y350-K352 WeakPolarHBondContact OH-CE 3.21Å
353	D	67.8	Low	83.9	Confident	92 Å²	92	53.8 Å²	53.8	49%	0.492	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	5	-167.4	-6.4	-82.3	0	0	0	112.1	T351 Q545 T549 K551	T351-D353 PolarHBondContact O-N 2.77Å; T351-D353 VanDerWaalsContact O-N 3.11Å; D353-Q545 PolarHBondContact O-NE2 3.02Å; D353-T549 HydrophobicContact CB-CG2 4.35Å; D353-K551 IonicContact OD2-NZ 2.76Å; D353-K551 PolarHBondContact OD2-NZ 2.86Å
354	I	72.4	Confident	84	Confident	13 Å²	13	51.7 Å²	51.7	7%	0.067	24%	0.239	C	C	.	.	S	Bend	trans	-125.6	129	-179.2	-66.2	157.3	0	0	0	108.9	T351 I356 F542 Q545 M546 T549 K551	T351-I354 HydrophobicContact CG2-CD1 3.76Å; T351-I354 PolarHBondContact O-N 3.02Å; I354-I356 HydrophobicContact CG2-CG2 4.14Å; I354-I356 PolarHBondContact O-N 3.28Å; I354-F542 HydrophobicContact CG2-CD2 4.4Å; I354-F542 HydrophobicContact CG2-CE2 3.39Å; I354-F542 HydrophobicContact CG2-CZ 3.87Å; I354-Q545 HydrophobicContact CG1-CG 4.47Å; I354-M546 HydrophobicContact CD1-CE 3.58Å; I354-M546 HydrophobicContact CD1-SD 4.03Å; I354-M546 HydrophobicContact CG1-CE 4.39Å; I354-M546 HydrophobicContact CG2-CE 4.16Å; I354-T549 HydrophobicContact CG1-CG2 4.27Å; I354-K551 HydrophobicContact CD1-CD 3.6Å
355	D	77.8	Confident	84.1	Confident	59 Å²	59	50.7 Å²	50.7	32%	0.316	23%	0.234	S	C	.	.			trans	-78.9	118.8	171.5	178	17.8	0	0	0	109.4	H357 K384	D355-H357 PolarHBondContact OD1-N 3.34Å; D355-H357 VanDerWaalsContact OD1-N 3.12Å; D355-K384 WeakPolarHBondContact OD2-CE 3.34Å; D355-K384 IonicContact OD2-NZ 3.77Å; D355-K384 PolarHBondContact OD2-NZ 3.16Å
356	I	86.8	Confident	84.2	Confident	27 Å²	27	49.1 Å²	49.1	14%	0.138	22%	0.223	C	C	.	.			trans	-105.1	1	-175.4	63.3	171.7	0	0	0	112.9	V346 L349 I354 H451 N452	V346-I356 HydrophobicContact CB-CD1 4.07Å; V346-I356 HydrophobicContact CG2-CD1 4.27Å; L349-I356 HydrophobicContact CB-CD1 4.37Å; L349-I356 HydrophobicContact CD1-CG2 4.3Å; I354-I356 HydrophobicContact CG2-CG2 4.14Å; I354-I356 PolarHBondContact O-N 3.28Å; I356-H451 PolarHBondContact O-CE1 2.78Å; I356-H451 PolarHBondContact O-ND1 3.06Å; I356-N452 WeakPolarHBondContact O-CB 3.49Å; I356-N452 PolarHBondContact O-ND2 3.17Å
357	H	92.1	Very high	84.3	Confident	30 Å²	30	54 Å²	54	14%	0.139	25%	0.253	C	S	.	.			trans	-117.8	110.5	-176.7	-72.6	117.6	0	0	0	110.4	K343 I344 D355 L383 H451 N452	K343-H357 VanDerWaalsContact C-NE2 3.35Å; K343-H357 HydrophobicContact CB-CB 4.5Å; K343-H357 HydrophobicContact CD-CB 4.05Å; K343-H357 HydrophobicContact CG-CB 4.07Å; K343-H357 PolarHBondContact O-NE2 2.92Å; I344-H357 PolarHBondContact O-NE2 3.45Å; D355-H357 PolarHBondContact OD1-N 3.34Å; D355-H357 VanDerWaalsContact OD1-N 3.12Å; H357-L383 WeakPolarHBondContact O-CD2 3.37Å; H357-H451 WeakPolarHBondContact CA-O 3.43Å; H357-N452 PolarHBondContact CD2-O 2.86Å; H357-N452 VanDerWaalsContact CD2-O 3.23Å
358	E	92.5	Very high	84.8	Confident	10 Å²	10	43.7 Å²	43.7	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.4	176.5	-154.4	174.3	167.6	0	0	112.4	W320 R360 L383 C450 H451	W320-E358 PolarHBondContact NE1-OE2 2.66Å; E358-R360 HydrophobicContact CG-CG 4.47Å; E358-R360 IonicContact OE1-CZ 2.65Å; E358-R360 IonicContact OE1-NE 2.7Å; E358-R360 PolarHBondContact OE1-NE 2.85Å; E358-R360 IonicContact OE1-NH2 2.78Å; E358-R360 PolarHBondContact OE1-NH2 2.83Å; E358-L383 VanDerWaalsContact CA-CD2 3.49Å; E358-L383 HydrophobicContact CB-CD2 4.38Å; E358-L383 HydrophobicContact CG-CD2 4.12Å; E358-C450 CarbonylContact O-C 3.55Å; E358-H451 HydrophobicContact CB-CB 3.92Å; E358-H451 PolarHBondContact N-O 2.74Å; E358-H451 PolarHBondContact O-N 2.78Å
359	V	96.8	Very high	85.4	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.5	162.3	-177.8	0	0	0	0	107.1	M338 V340 S382 L383 F400 V448 L449 C453 V455	M338-V359 HydrophobicContact CE-CG1 3.77Å; M338-V359 HydrophobicContact SD-CG1 3.89Å; V340-V359 HydrophobicContact CG2-CG2 4.38Å; V359-S382 WeakPolarHBondContact O-CA 3.47Å; V359-L383 VanDerWaalsContact N-CD2 3.28Å; V359-L383 PolarHBondContact O-N 3.11Å; V359-F400 HydrophobicContact CB-CE2 4.44Å; V359-V448 HydrophobicContact CG1-CG2 4.12Å; V359-L449 CarbonylContact C-O 3.55Å; V359-L449 WeakPolarHBondContact CA-O 3.35Å; V359-C453 HydrophobicContact CG2-CB 3.47Å; V359-C453 VanDerWaalsContact CG2-CB 3.47Å; V359-V455 HydrophobicContact CG1-CG1 4.09Å; V359-V455 HydrophobicContact CG2-CG1 4.2Å
360	R	97.2	Very high	86.3	Confident	9 Å²	9	41.2 Å²	41.2	3%	0.034	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.1	161.9	-48.5	-175	-176.1	169.3	-3	109	E358 L372 E374 Y381 V448 L449	E358-R360 HydrophobicContact CG-CG 4.47Å; E358-R360 IonicContact OE1-CZ 2.65Å; E358-R360 IonicContact OE1-NE 2.7Å; E358-R360 PolarHBondContact OE1-NE 2.85Å; E358-R360 IonicContact OE1-NH2 2.78Å; E358-R360 PolarHBondContact OE1-NH2 2.83Å; R360-L372 HydrophobicContact CB-CD2 3.97Å; R360-L372 HydrophobicContact CB-CG 4.49Å; R360-L372 VanDerWaalsContact CD-O 3.23Å; R360-L372 WeakPolarHBondContact CD-O 3.19Å; R360-L372 PolarHBondContact NH1-O 2.9Å; R360-E374 IonicContact CZ-OE1 2.63Å; R360-E374 IonicContact NH1-OE1 3.41Å; R360-E374 PolarHBondContact NH1-OE1 2.64Å; R360-E374 IonicContact NH2-OE1 2.83Å; R360-Y381 CarbonylContact C-O 3.08Å; R360-Y381 VanDerWaalsContact CA-O 3.27Å; R360-Y381 WeakPolarHBondContact CA-O 3.27Å; R360-V448 CarbonylContact O-C 3.54Å; R360-V448 WeakPolarHBondContact O-CA 3.15Å; R360-V448 VanDerWaalsContact O-CG2 3.3Å; R360-V448 WeakPolarHBondContact O-CG2 3.42Å; R360-L449 HydrophobicContact CB-CB 4.22Å; R360-L449 PolarHBondContact N-O 3.17Å; R360-L449 PolarHBondContact O-N 2.78Å
361	I	98.5	Very high	88	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.2	179	-177.7	167.8	0	0	0	110.3	F336 M338 Y381 F400 I406 C408 F457	F336-I361 HydrophobicContact CE2-CD1 3.6Å; F336-I361 HydrophobicContact CE2-CG1 4.03Å; F336-I361 HydrophobicContact CZ-CD1 4.04Å; F336-I361 HydrophobicContact CZ-CG1 4Å; M338-I361 HydrophobicContact CB-CD1 3.21Å; M338-I361 HydrophobicContact CE-CB 4.09Å; M338-I361 HydrophobicContact CE-CD1 3.88Å; M338-I361 HydrophobicContact CE-CG2 4Å; M338-I361 HydrophobicContact CG-CD1 3.93Å; M338-I361 HydrophobicContact SD-CB 4.16Å; M338-I361 HydrophobicContact SD-CD1 3.62Å; M338-I361 HydrophobicContact SD-CG1 4.35Å; I361-Y381 PolarHBondContact N-O 2.94Å; I361-Y381 PolarHBondContact O-N 2.9Å; I361-F400 HydrophobicContact CG2-CZ 4.47Å; I361-I406 HydrophobicContact CG2-CB 4.4Å; I361-I406 HydrophobicContact CG2-CG2 4.04Å; I361-C408 WeakPolarHBondContact CD1-SG 3.28Å; I361-C408 VanDerWaalsContact CG1-SG 3.53Å; I361-F457 HydrophobicContact CD1-CE1 4.14Å
362	G	98.4	Very high	89.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.7	-132.2	172.2	0	0	0	0	0	111.7	Y379 Y421 H447	G362-Y379 WeakPolarHBondContact CA-O 3.44Å; G362-Y421 VanDerWaalsContact CA-OH 3.3Å; G362-Y421 WeakPolarHBondContact CA-OH 3.27Å; G362-H447 PolarHBondContact N-O 2.85Å; G362-H447 PolarHBondContact O-N 3.14Å
363	W	98.6	Very high	91.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.1	-165.5	-59.9	97.1	0	0	0	111.2	V329 V334 F336 Y379 F409 A410 L419 L444 F445 P446	V329-W363 HydrophobicContact CG2-CZ3 4.22Å; V334-W363 HydrophobicContact CG1-CH2 4.47Å; F336-W363 AromaticContact CD1-CH2 3.72Å; F336-W363 HydrophobicContact CD1-CH2 3.72Å; F336-W363 AromaticContact CD1-CZ2 3.7Å; F336-W363 HydrophobicContact CD1-CZ2 3.7Å; F336-W363 HydrophobicContact CD1-CZ3 4.37Å; F336-W363 HydrophobicContact CE1-CD2 4.16Å; F336-W363 AromaticContact CE1-CE2 3.76Å; F336-W363 HydrophobicContact CE1-CE3 4.35Å; F336-W363 AromaticContact CE1-CH2 3.86Å; F336-W363 HydrophobicContact CE1-CH2 3.86Å; F336-W363 AromaticContact CE1-CZ2 3.61Å; F336-W363 HydrophobicContact CE1-CZ2 3.61Å; F336-W363 HydrophobicContact CE1-CZ3 4.22Å; W363-Y379 PolarHBondContact N-O 3.13Å; W363-Y379 PolarHBondContact O-N 2.89Å; W363-F409 PolarHBondContact NE1-O 3.34Å; W363-A410 HydrophobicContact CD2-CB 4.26Å; W363-A410 HydrophobicContact CH2-CB 4.03Å; W363-A410 HydrophobicContact CZ2-CB 3.6Å; W363-L419 HydrophobicContact CB-CD1 4.11Å; W363-L419 HydrophobicContact CG-CD1 4.31Å; W363-L419 HydrophobicContact CG-CD2 4.23Å; W363-L444 HydrophobicContact CB-CB 4.27Å; W363-L444 HydrophobicContact CB-CD1 4.39Å; W363-L444 HydrophobicContact CB-CD2 4.45Å; W363-L444 HydrophobicContact CE3-CB 4.12Å; W363-F445 WeakPolarHBondContact CA-O 3.4Å; W363-P446 HydrophobicContact CE3-CG 4.29Å; W363-P446 HydrophobicContact CH2-CG 4.34Å; W363-P446 HydrophobicContact CZ3-CG 3.78Å
364	S	98	Very high	92.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	162	173.2	64.9	0	0	0	0	112.9	R324 F377 F445 H447	R324-S364 PolarHBondContact NE-OG 3.22Å; R324-S364 VanDerWaalsContact NE-OG 3.1Å; S364-F377 VanDerWaalsContact CA-O 3.26Å; S364-F377 WeakPolarHBondContact CA-O 3.39Å; S364-F445 PolarHBondContact N-O 2.62Å; S364-F445 PolarHBondContact O-N 3.13Å; S364-H447 PolarHBondContact OG-ND1 2.82Å
365	L	95.8	Very high	93.5	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	155	170.8	-65.8	-177.3	0	0	0	112.2	R324 T367 S368 F377 L439 R442 P443 L444	R324-L365 PolarHBondContact NH2-O 3.07Å; L365-T367 PolarHBondContact O-N 3.42Å; L365-T367 VanDerWaalsContact O-N 3.15Å; L365-S368 PolarHBondContact O-N 2.65Å; L365-S368 VanDerWaalsContact O-N 3.15Å; L365-F377 HydrophobicContact CB-CB 4.25Å; L365-F377 HydrophobicContact CD1-CB 3.59Å; L365-F377 HydrophobicContact CD1-CD1 3.98Å; L365-F377 HydrophobicContact CD1-CD2 4.21Å; L365-F377 HydrophobicContact CD1-CG 3.64Å; L365-F377 HydrophobicContact CG-CB 3.81Å; L365-F377 HydrophobicContact CG-CG 4.38Å; L365-F377 PolarHBondContact N-O 3.5Å; L365-F377 VanDerWaalsContact N-O 3.13Å; L365-L439 HydrophobicContact CD2-CD2 4.46Å; L365-R442 HydrophobicContact CD1-CB 4.1Å; L365-R442 VanDerWaalsContact CD1-NH1 3.27Å; L365-R442 HydrophobicContact CD2-CB 3.63Å; L365-P443 WeakPolarHBondContact CD2-O 3.48Å; L365-L444 HydrophobicContact CD2-CD2 3.97Å; L365-L444 HydrophobicContact CG-CD2 4.33Å
366	T	92.3	Very high	94.3	Very high	53 Å²	53	26.5 Å²	26.5	33%	0.325	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-38.9	172.5	-55.9	0	0	0	0	113.3	R324 S368 F445 P488	R324-T366 PolarHBondContact NH1-O 2.85Å; T366-S368 VanDerWaalsContact C-N 3.25Å; T366-S368 PolarHBondContact O-N 3.41Å; T366-F445 WeakPolarHBondContact OG1-CE2 3.28Å; T366-F445 WeakPolarHBondContact OG1-CZ 3.43Å; T366-P488 HydrophobicContact CG2-CG 3.71Å
367	T	89.3	Confident	94.7	Very high	114 Å²	114	26.5 Å²	26.5	70%	0.699	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.3	-174.6	46.8	0	0	0	0	114.1	L365	L365-T367 PolarHBondContact O-N 3.42Å; L365-T367 VanDerWaalsContact O-N 3.15Å
368	S	91	Very high	94.9	Very high	14 Å²	14	25.1 Å²	25.1	10%	0.098	14%	0.137	C	C	.	.	S	Bend	trans	-73.5	170.9	-177.2	-78.3	0	0	0	0	113.2	R324 L365 T366 E375	R324-S368 PolarHBondContact NH2-O 2.95Å; L365-S368 PolarHBondContact O-N 2.65Å; L365-S368 VanDerWaalsContact O-N 3.15Å; T366-S368 VanDerWaalsContact C-N 3.25Å; T366-S368 PolarHBondContact O-N 3.41Å; S368-E375 WeakPolarHBondContact CA-OE2 3.43Å; S368-E375 WeakPolarHBondContact CB-OE2 3.48Å; S368-E375 PolarHBondContact OG-OE2 3.06Å
369	G	90.9	Very high	95.2	Very high	23 Å²	23	25.2 Å²	25.2	24%	0.237	14%	0.138	C	C	.	.			trans	-68.7	177.7	167.1	0	0	0	0	0	114.2	R324 E375 H447	R324-G369 PolarHBondContact NH2-O 2.77Å; G369-E375 VanDerWaalsContact CA-OE1 3.27Å; G369-E375 WeakPolarHBondContact CA-OE1 3.33Å; G369-E375 PolarHBondContact N-OE1 2.88Å; G369-E375 PolarHBondContact N-OE2 2.85Å; G369-H447 PolarHBondContact O-CE1 2.82Å
370	M	93.7	Very high	95.3	Very high	32 Å²	32	25.1 Å²	25.1	16%	0.158	14%	0.137	C	C	.	.	S	Bend	trans	-84.6	-14	173.4	-67.2	-72.6	94.6	0	0	112.9	C295 D296 G322 R324 L372 H447 L449	C295-M370 VanDerWaalsContact CA-SD 3.58Å; D296-M370 WeakPolarHBondContact OD2-CB 3.46Å; G322-M370 WeakPolarHBondContact CA-O 3.37Å; R324-M370 HydrophobicContact CG-CE 4.25Å; M370-L372 PolarHBondContact O-N 3.08Å; M370-H447 PolarHBondContact O-NE2 3.09Å; M370-H447 VanDerWaalsContact O-NE2 3.14Å; M370-L449 WeakPolarHBondContact O-CD1 3.46Å
371	L	94.3	Very high	95.3	Very high	29 Å²	29	24.7 Å²	24.7	15%	0.152	14%	0.135	C	C	.	.	S	Bend	trans	-86.8	88.7	-179.4	-59.1	-179.9	0	0	0	109.8	W320 G373 E374 L449 K536 V539	W320-L371 HydrophobicContact CB-CD2 4.04Å; L371-G373 PolarHBondContact O-N 2.76Å; L371-G373 VanDerWaalsContact O-N 3.08Å; L371-E374 HydrophobicContact CB-CB 4.33Å; L371-E374 HydrophobicContact CB-CG 3.66Å; L371-E374 PolarHBondContact O-N 2.85Å; L371-L449 HydrophobicContact CD2-CD1 3.99Å; L371-K536 HydrophobicContact CD1-CG 4.5Å; L371-K536 HydrophobicContact CD2-CG 4.28Å; L371-V539 HydrophobicContact CD1-CG2 4.35Å; L371-V539 HydrophobicContact CD2-CG2 4.15Å
372	L	96.5	Very high	95.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	112.4	-179.8	-176.8	67.2	0	0	0	112	R360 M370 S378 H447 L449	R360-L372 HydrophobicContact CB-CD2 3.97Å; R360-L372 HydrophobicContact CB-CG 4.49Å; R360-L372 VanDerWaalsContact CD-O 3.23Å; R360-L372 WeakPolarHBondContact CD-O 3.19Å; R360-L372 PolarHBondContact NH1-O 2.9Å; M370-L372 PolarHBondContact O-N 3.08Å; L372-S378 WeakPolarHBondContact CA-OG 3.25Å; L372-H447 HydrophobicContact CD1-CB 4.08Å; L372-H447 WeakPolarHBondContact CD2-O 3.49Å; L372-L449 HydrophobicContact CB-CB 3.83Å; L372-L449 HydrophobicContact CB-CD2 4.46Å
373	G	95.1	Very high	95	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	119.7	-20	175.2	0	0	0	0	0	113.6	L371 E375 S378 C389 N390 C391	L371-G373 PolarHBondContact O-N 2.76Å; L371-G373 VanDerWaalsContact O-N 3.08Å; G373-E375 VanDerWaalsContact C-N 3.28Å; G373-E375 PolarHBondContact O-N 3.17Å; G373-S378 WeakPolarHBondContact CA-O 3.46Å; G373-S378 PolarHBondContact N-O 2.93Å; G373-S378 PolarHBondContact N-OG 3.34Å; G373-C389 CarbonylContact O-C 3.53Å; G373-C389 VanDerWaalsContact O-CA 3.31Å; G373-C389 WeakPolarHBondContact O-CA 3.44Å; G373-N390 PolarHBondContact O-N 2.93Å; G373-C391 PolarHBondContact O-N 2.91Å
374	E	93.4	Very high	94.8	Very high	33 Å²	33	28.3 Å²	28.3	15%	0.154	15%	0.152	C	C	.	.	S	Bend	trans	-87	10.3	-169.7	-43.7	-67.9	108.6	0	0	113.6	R360 L371 C391 V539 A540	R360-E374 IonicContact CZ-OE1 2.63Å; R360-E374 IonicContact NH1-OE1 3.41Å; R360-E374 PolarHBondContact NH1-OE1 2.64Å; R360-E374 IonicContact NH2-OE1 2.83Å; L371-E374 HydrophobicContact CB-CB 4.33Å; L371-E374 HydrophobicContact CB-CG 3.66Å; L371-E374 PolarHBondContact O-N 2.85Å; E374-C391 PolarHBondContact O-SG 2.97Å; E374-C391 VanDerWaalsContact O-SG 3.34Å; E374-V539 HydrophobicContact CG-CG1 4.47Å; E374-V539 WeakPolarHBondContact OE1-CG1 3.38Å; E374-A540 WeakPolarHBondContact OE2-CB 3.47Å; E374-A540 PolarHBondContact OE2-N 3.11Å
375	E	94.3	Very high	94.7	Very high	72 Å²	72	28.7 Å²	28.7	34%	0.336	16%	0.156	S	C	.	.	S	Bend	trans	-146.8	155.9	-175.4	-67.6	175.5	-163.9	0	0	112.8	S368 G369 G373 F377 S378 N390	S368-E375 WeakPolarHBondContact CA-OE2 3.43Å; S368-E375 WeakPolarHBondContact CB-OE2 3.48Å; S368-E375 PolarHBondContact OG-OE2 3.06Å; G369-E375 VanDerWaalsContact CA-OE1 3.27Å; G369-E375 WeakPolarHBondContact CA-OE1 3.33Å; G369-E375 PolarHBondContact N-OE1 2.88Å; G369-E375 PolarHBondContact N-OE2 2.85Å; G373-E375 VanDerWaalsContact C-N 3.28Å; G373-E375 PolarHBondContact O-N 3.17Å; E375-F377 VanDerWaalsContact C-N 3.33Å; E375-F377 PolarHBondContact O-N 2.99Å; E375-S378 WeakPolarHBondContact O-CB 3.41Å; E375-S378 PolarHBondContact O-N 2.73Å; E375-N390 VanDerWaalsContact C-CA 3.48Å; E375-N390 PolarHBondContact O-N 2.92Å
376	E	93.9	Very high	94.7	Very high	106 Å²	106	30.6 Å²	30.6	50%	0.495	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-39.8	-177.2	-172.6	-171	175.3	0	0	115.3	Y379 C389 N390	E376-Y379 PolarHBondContact O-OH 3.33Å; E376-C389 PolarHBondContact O-SG 2.85Å; E376-N390 PolarHBondContact N-OD1 3.2Å
377	F	95.8	Very high	94.9	Very high	26 Å²	26	29.7 Å²	29.7	11%	0.114	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	35.2	-175.9	-62.1	-67.2	0	0	0	112.9	S364 L365 E375 Y379 V438 L439 R442	S364-F377 VanDerWaalsContact CA-O 3.26Å; S364-F377 WeakPolarHBondContact CA-O 3.39Å; L365-F377 HydrophobicContact CB-CB 4.25Å; L365-F377 HydrophobicContact CD1-CB 3.59Å; L365-F377 HydrophobicContact CD1-CD1 3.98Å; L365-F377 HydrophobicContact CD1-CD2 4.21Å; L365-F377 HydrophobicContact CD1-CG 3.64Å; L365-F377 HydrophobicContact CG-CB 3.81Å; L365-F377 HydrophobicContact CG-CG 4.38Å; L365-F377 PolarHBondContact N-O 3.5Å; L365-F377 VanDerWaalsContact N-O 3.13Å; E375-F377 VanDerWaalsContact C-N 3.33Å; E375-F377 PolarHBondContact O-N 2.99Å; F377-Y379 WeakPolarHBondContact CD1-OH 3.25Å; F377-V438 HydrophobicContact CE1-CG1 3.81Å; F377-V438 HydrophobicContact CZ-CG1 3.85Å; F377-L439 HydrophobicContact CD1-CD2 4.25Å; F377-R442 VanDerWaalsContact CE1-NH2 3.29Å
378	S	97.6	Very high	95.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	87.4	-171.7	168	0	0	0	0	111.3	L372 G373 E375	L372-S378 WeakPolarHBondContact CA-OG 3.25Å; G373-S378 WeakPolarHBondContact CA-O 3.46Å; G373-S378 PolarHBondContact N-O 2.93Å; G373-S378 PolarHBondContact N-OG 3.34Å; E375-S378 WeakPolarHBondContact O-CB 3.41Å; E375-S378 PolarHBondContact O-N 2.73Å
379	Y	98.2	Very high	95.5	Very high	13 Å²	13	24.9 Å²	24.9	5%	0.051	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	107.6	-171.6	-46.8	-74.9	0	0	0	111.3	G362 W363 E376 F377 C389 L419 F432 I434 L444	G362-Y379 WeakPolarHBondContact CA-O 3.44Å; W363-Y379 PolarHBondContact N-O 3.13Å; W363-Y379 PolarHBondContact O-N 2.89Å; E376-Y379 PolarHBondContact O-OH 3.33Å; F377-Y379 WeakPolarHBondContact CD1-OH 3.25Å; Y379-C389 HydrophobicContact CD1-CB 4.12Å; Y379-C389 VanDerWaalsContact CD1-SG 3.5Å; Y379-C389 WeakPolarHBondContact CE1-SG 3.37Å; Y379-L419 HydrophobicContact CD2-CD1 3.68Å; Y379-L419 HydrophobicContact CG-CD1 3.7Å; Y379-F432 HydrophobicContact CD1-CB 4.39Å; Y379-F432 AromaticContact CD1-CD1 3.86Å; Y379-F432 HydrophobicContact CD1-CD1 3.86Å; Y379-F432 HydrophobicContact CD1-CD2 4.48Å; Y379-F432 HydrophobicContact CD1-CE1 4.18Å; Y379-F432 HydrophobicContact CD1-CG 4.01Å; Y379-F432 HydrophobicContact CG-CD2 4.49Å; Y379-F432 HydrophobicContact CG-CG 4.41Å; Y379-I434 HydrophobicContact CD1-CD1 4.23Å; Y379-I434 HydrophobicContact CD2-CD1 3.87Å; Y379-I434 HydrophobicContact CE1-CD1 3.85Å; Y379-I434 HydrophobicContact CE1-CG1 4.1Å; Y379-I434 HydrophobicContact CE2-CD1 3.45Å; Y379-I434 VanDerWaalsContact CE2-CD1 3.45Å; Y379-I434 HydrophobicContact CE2-CG1 4.46Å; Y379-I434 HydrophobicContact CG-CD1 4.25Å; Y379-I434 VanDerWaalsContact CZ-CD1 3.45Å; Y379-L444 HydrophobicContact CD2-CD2 4.27Å; Y379-L444 HydrophobicContact CE2-CD2 4.05Å
380	G	97.8	Very high	95.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147.3	179.3	0	0	0	0	0	113.9	K387 T388	G380-K387 CarbonylContact O-C 3.59Å; G380-K387 VanDerWaalsContact O-CA 3.28Å; G380-K387 WeakPolarHBondContact O-CA 3.23Å; G380-T388 PolarHBondContact N-O 3.2Å; G380-T388 PolarHBondContact O-N 3.47Å
381	Y	98.3	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.2	166	167.1	-133.2	0	0	0	108.8	R360 I361 Y396 E398 F400 I406 Y421 L428	R360-Y381 CarbonylContact C-O 3.08Å; R360-Y381 VanDerWaalsContact CA-O 3.27Å; R360-Y381 WeakPolarHBondContact CA-O 3.27Å; I361-Y381 PolarHBondContact N-O 2.94Å; I361-Y381 PolarHBondContact O-N 2.9Å; Y381-Y396 HydrophobicContact CD1-CE1 4.48Å; Y381-Y396 AromaticContact CD2-CD1 3.59Å; Y381-Y396 HydrophobicContact CD2-CD1 3.59Å; Y381-Y396 AromaticContact CD2-CE1 3.9Å; Y381-Y396 HydrophobicContact CD2-CE1 3.9Å; Y381-Y396 AromaticContact CE2-CD1 3.74Å; Y381-Y396 HydrophobicContact CE2-CD1 3.74Å; Y381-Y396 AromaticContact CE2-CE1 3.99Å; Y381-Y396 HydrophobicContact CE2-CE1 3.99Å; Y381-Y396 HydrophobicContact CG-CD1 4.24Å; Y381-Y396 HydrophobicContact CG-CE1 4.15Å; Y381-E398 PolarHBondContact OH-N 3.2Å; Y381-E398 PolarHBondContact OH-O 3Å; Y381-F400 HydrophobicContact CD1-CE1 4.03Å; Y381-F400 AromaticContact CE1-CD1 3.97Å; Y381-F400 HydrophobicContact CE1-CD1 3.97Å; Y381-F400 AromaticContact CE1-CE1 3.67Å; Y381-F400 HydrophobicContact CE1-CE1 3.67Å; Y381-F400 HydrophobicContact CE2-CE1 4.36Å; Y381-F400 AromaticContact CZ-CD1 3.89Å; Y381-F400 AromaticContact CZ-CE1 3.85Å; Y381-I406 HydrophobicContact CD1-CG2 4.01Å; Y381-I406 HydrophobicContact CE1-CD1 4.22Å; Y381-I406 HydrophobicContact CE1-CG2 3.97Å; Y381-Y421 AromaticContact CD1-CD1 3.65Å; Y381-Y421 HydrophobicContact CD1-CD1 3.65Å; Y381-Y421 HydrophobicContact CD1-CD2 4.05Å; Y381-Y421 HydrophobicContact CD1-CE1 4.23Å; Y381-Y421 AromaticContact CD1-CG 3.55Å; Y381-Y421 HydrophobicContact CD1-CG 3.55Å; Y381-Y421 HydrophobicContact CE1-CG 4.23Å; Y381-Y421 HydrophobicContact CG-CD1 4.3Å; Y381-Y421 HydrophobicContact CG-CD2 4.15Å; Y381-Y421 HydrophobicContact CG-CE2 4.4Å; Y381-Y421 HydrophobicContact CG-CG 4.11Å; Y381-L428 HydrophobicContact CE1-CD1 3.84Å; Y381-L428 WeakPolarHBondContact OH-CD1 3.36Å
382	S	96.1	Very high	95.5	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	157.1	-171.7	74.4	0	0	0	0	113.1	V359 K384 G385 I386 F400	V359-S382 WeakPolarHBondContact O-CA 3.47Å; S382-K384 PolarHBondContact O-N 3.01Å; S382-G385 PolarHBondContact O-N 3.05Å; S382-I386 WeakPolarHBondContact CB-O 3.47Å; S382-I386 PolarHBondContact N-O 3.04Å; S382-I386 PolarHBondContact OG-O 2.65Å; S382-F400 VanDerWaalsContact C-CE1 3.44Å; S382-F400 WeakPolarHBondContact O-CE1 3.47Å
383	L	95.1	Very high	95.4	Very high	17 Å²	17	37.9 Å²	37.9	9%	0.089	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-14.3	176.4	92.8	128	0	0	0	114.7	H357 E358 V359 G385 K399 F400	H357-L383 WeakPolarHBondContact O-CD2 3.37Å; E358-L383 VanDerWaalsContact CA-CD2 3.49Å; E358-L383 HydrophobicContact CB-CD2 4.38Å; E358-L383 HydrophobicContact CG-CD2 4.12Å; V359-L383 VanDerWaalsContact N-CD2 3.28Å; V359-L383 PolarHBondContact O-N 3.11Å; L383-G385 VanDerWaalsContact C-N 3.28Å; L383-G385 PolarHBondContact O-N 2.83Å; L383-K399 VanDerWaalsContact O-CA 3.28Å; L383-K399 WeakPolarHBondContact O-CA 3.3Å; L383-F400 VanDerWaalsContact CA-CE1 3.45Å; L383-F400 HydrophobicContact CB-CD1 4.38Å; L383-F400 HydrophobicContact CB-CD2 3.76Å; L383-F400 HydrophobicContact CB-CE1 4.28Å; L383-F400 HydrophobicContact CB-CE2 3.62Å; L383-F400 HydrophobicContact CB-CG 4.14Å; L383-F400 HydrophobicContact CB-CZ 3.9Å; L383-F400 WeakPolarHBondContact CB-O 3.36Å; L383-F400 VanDerWaalsContact CD1-O 3.31Å; L383-F400 WeakPolarHBondContact CD1-O 3.47Å; L383-F400 PolarHBondContact O-N 2.96Å
384	K	93.9	Very high	95.5	Very high	55 Å²	55	43.2 Å²	43.2	24%	0.239	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	1.8	-175.1	-56.4	-174.3	179.7	-172.6	0	112.8	D355 S382 I386 K399	D355-K384 WeakPolarHBondContact OD2-CE 3.34Å; D355-K384 IonicContact OD2-NZ 3.77Å; D355-K384 PolarHBondContact OD2-NZ 3.16Å; S382-K384 PolarHBondContact O-N 3.01Å; K384-I386 VanDerWaalsContact C-N 3.35Å; K384-I386 HydrophobicContact CB-CD1 4.01Å; K384-I386 HydrophobicContact CB-CG1 4.26Å; K384-K399 WeakPolarHBondContact O-CE 3.34Å; K384-K399 WeakPolarHBondContact O-CG 3.48Å
385	G	95.8	Very high	95.6	Very high	8 Å²	8	48.5 Å²	48.5	8%	0.082	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.9	35.9	-173	0	0	0	0	0	111.3	S382 L383 D395 Y396 E398	S382-G385 PolarHBondContact O-N 3.05Å; L383-G385 VanDerWaalsContact C-N 3.28Å; L383-G385 PolarHBondContact O-N 2.83Å; G385-D395 WeakPolarHBondContact O-CA 3.35Å; G385-Y396 CarbonylContact C-O 3.57Å; G385-Y396 WeakPolarHBondContact CA-O 3.32Å; G385-Y396 PolarHBondContact O-N 3.47Å; G385-Y396 VanDerWaalsContact O-O 3.04Å; G385-E398 VanDerWaalsContact CA-O 3.27Å; G385-E398 WeakPolarHBondContact CA-O 3.41Å
386	I	95.6	Very high	95.8	Very high	43 Å²	43	46.1 Å²	46.1	22%	0.221	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.4	-175.5	-64.4	171.4	0	0	0	107.8	S382 K384 T393 E394	S382-I386 WeakPolarHBondContact CB-O 3.47Å; S382-I386 PolarHBondContact N-O 3.04Å; S382-I386 PolarHBondContact OG-O 2.65Å; K384-I386 VanDerWaalsContact C-N 3.35Å; K384-I386 HydrophobicContact CB-CD1 4.01Å; K384-I386 HydrophobicContact CB-CG1 4.26Å; I386-T393 HydrophobicContact CG2-CG2 4.29Å; I386-E394 CarbonylContact C-O 3.56Å; I386-E394 VanDerWaalsContact CA-O 3.32Å; I386-E394 WeakPolarHBondContact CA-O 3.44Å; I386-E394 WeakPolarHBondContact CG2-O 3.28Å
387	K	97.2	Very high	95.9	Very high	35 Å²	35	43.1 Å²	43.1	15%	0.152	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	152.1	167.1	66.5	176.8	-179.9	170.6	0	110	G380 T393 E394 Y396 A431 F432	G380-K387 CarbonylContact O-C 3.59Å; G380-K387 VanDerWaalsContact O-CA 3.28Å; G380-K387 WeakPolarHBondContact O-CA 3.23Å; K387-T393 WeakPolarHBondContact O-CA 3.27Å; K387-E394 WeakPolarHBondContact CE-OE2 3.44Å; K387-E394 HydrophobicContact CG-CB 4.06Å; K387-E394 PolarHBondContact N-O 2.93Å; K387-E394 IonicContact NZ-OE2 2.71Å; K387-E394 PolarHBondContact NZ-OE2 3.31Å; K387-E394 PolarHBondContact O-N 2.99Å; K387-Y396 HydrophobicContact CB-CD1 4.21Å; K387-Y396 HydrophobicContact CB-CG 4.22Å; K387-Y396 HydrophobicContact CD-CD2 4.38Å; K387-Y396 HydrophobicContact CD-CG 4.04Å; K387-Y396 HydrophobicContact CG-CG 4.26Å; K387-A431 HydrophobicContact CD-CB 4.08Å; K387-A431 WeakPolarHBondContact CD-O 3.4Å; K387-A431 PolarHBondContact NZ-O 2.78Å; K387-F432 HydrophobicContact CB-CE1 4.39Å; K387-F432 HydrophobicContact CB-CE2 4.14Å; K387-F432 HydrophobicContact CB-CZ 3.71Å; K387-F432 HydrophobicContact CD-CE1 4.21Å; K387-F432 HydrophobicContact CD-CZ 4.26Å; K387-F432 HydrophobicContact CG-CE1 4.45Å; K387-F432 HydrophobicContact CG-CZ 4.25Å
388	T	95.9	Very high	95.9	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	133	-172.1	-48.4	0	0	0	0	111.3	G380 E392 T393	G380-T388 PolarHBondContact N-O 3.2Å; G380-T388 PolarHBondContact O-N 3.47Å; T388-E392 VanDerWaalsContact CA-O 3.27Å; T388-E392 WeakPolarHBondContact CA-O 3.27Å; T388-E392 WeakPolarHBondContact CG2-O 3.42Å; T388-T393 HydrophobicContact CG2-CG2 3.85Å
389	C	96.4	Very high	95.9	Very high	23 Å²	23	52.5 Å²	52.5	16%	0.155	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	145.1	175.6	-176.8	0	0	0	0	108.4	G373 E376 Y379 C391 E392 F432	G373-C389 CarbonylContact O-C 3.53Å; G373-C389 VanDerWaalsContact O-CA 3.31Å; G373-C389 WeakPolarHBondContact O-CA 3.44Å; E376-C389 PolarHBondContact O-SG 2.85Å; Y379-C389 HydrophobicContact CD1-CB 4.12Å; Y379-C389 VanDerWaalsContact CD1-SG 3.5Å; Y379-C389 WeakPolarHBondContact CE1-SG 3.37Å; C389-C391 PolarHBondContact O-N 3.09Å; C389-C391 VanDerWaalsContact O-N 3.13Å; C389-E392 PolarHBondContact N-O 3.19Å; C389-E392 VanDerWaalsContact N-O 3.11Å; C389-E392 WeakPolarHBondContact O-CA 3.46Å; C389-E392 WeakPolarHBondContact O-CB 3.37Å; C389-E392 PolarHBondContact O-N 2.81Å; C389-F432 HydrophobicContact CB-CD1 4.45Å; C389-F432 HydrophobicContact CB-CE1 3.72Å; C389-F432 HydrophobicContact CB-CZ 4.4Å
390	N	94.6	Very high	95.9	Very high	80 Å²	80	52.1 Å²	52.1	43%	0.428	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	32	179	-157.5	46.9	0	0	0	116.1	G373 E375 E376 E392	G373-N390 PolarHBondContact O-N 2.93Å; E375-N390 VanDerWaalsContact C-CA 3.48Å; E375-N390 PolarHBondContact O-N 2.92Å; E376-N390 PolarHBondContact N-OD1 3.2Å; N390-E392 PolarHBondContact O-N 2.83Å
391	C	91.8	Very high	95.8	Very high	63 Å²	63	55.7 Å²	55.7	43%	0.426	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	-2.7	-168.1	-61.8	0	0	0	0	116	G373 E374 C389	G373-C391 PolarHBondContact O-N 2.91Å; E374-C391 PolarHBondContact O-SG 2.97Å; E374-C391 VanDerWaalsContact O-SG 3.34Å; C389-C391 PolarHBondContact O-N 3.09Å; C389-C391 VanDerWaalsContact O-N 3.13Å
392	E	93.1	Very high	95.7	Very high	131 Å²	131	59.7 Å²	59.7	61%	0.612	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	142.3	176	-65	168.8	-176.9	0	0	110.2	T388 C389 N390	T388-E392 VanDerWaalsContact CA-O 3.27Å; T388-E392 WeakPolarHBondContact CA-O 3.27Å; T388-E392 WeakPolarHBondContact CG2-O 3.42Å; C389-E392 PolarHBondContact N-O 3.19Å; C389-E392 VanDerWaalsContact N-O 3.11Å; C389-E392 WeakPolarHBondContact O-CA 3.46Å; C389-E392 WeakPolarHBondContact O-CB 3.37Å; C389-E392 PolarHBondContact O-N 2.81Å; N390-E392 PolarHBondContact O-N 2.83Å
393	T	94.1	Very high	95.7	Very high	84 Å²	84	64 Å²	64	52%	0.515	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.2	-173	55.4	0	0	0	0	111.1	I386 K387 T388	I386-T393 HydrophobicContact CG2-CG2 4.29Å; K387-T393 WeakPolarHBondContact O-CA 3.27Å; T388-T393 HydrophobicContact CG2-CG2 3.85Å
394	E	95.8	Very high	95.9	Very high	112 Å²	112	64.7 Å²	64.7	52%	0.523	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.8	177.1	-67.4	178.9	-173.4	0	0	110.1	I386 K387 Y396	I386-E394 CarbonylContact C-O 3.56Å; I386-E394 VanDerWaalsContact CA-O 3.32Å; I386-E394 WeakPolarHBondContact CA-O 3.44Å; I386-E394 WeakPolarHBondContact CG2-O 3.28Å; K387-E394 WeakPolarHBondContact CE-OE2 3.44Å; K387-E394 HydrophobicContact CG-CB 4.06Å; K387-E394 PolarHBondContact N-O 2.93Å; K387-E394 IonicContact NZ-OE2 2.71Å; K387-E394 PolarHBondContact NZ-OE2 3.31Å; K387-E394 PolarHBondContact O-N 2.99Å; E394-Y396 PolarHBondContact O-N 3.13Å
395	D	97.3	Very high	96.1	Very high	144 Å²	144	62.2 Å²	62.2	77%	0.77	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	133.8	171.3	-71	-33.4	0	0	0	110	G385	G385-D395 WeakPolarHBondContact O-CA 3.35Å
396	Y	97.6	Very high	96.2	Very high	22 Å²	22	61.9 Å²	61.9	9%	0.086	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	138.5	-177.4	164.8	-93.2	0	0	0	111.8	Y381 G385 K387 E394 Y421 L428 G429 A431	Y381-Y396 HydrophobicContact CD1-CE1 4.48Å; Y381-Y396 AromaticContact CD2-CD1 3.59Å; Y381-Y396 HydrophobicContact CD2-CD1 3.59Å; Y381-Y396 AromaticContact CD2-CE1 3.9Å; Y381-Y396 HydrophobicContact CD2-CE1 3.9Å; Y381-Y396 AromaticContact CE2-CD1 3.74Å; Y381-Y396 HydrophobicContact CE2-CD1 3.74Å; Y381-Y396 AromaticContact CE2-CE1 3.99Å; Y381-Y396 HydrophobicContact CE2-CE1 3.99Å; Y381-Y396 HydrophobicContact CG-CD1 4.24Å; Y381-Y396 HydrophobicContact CG-CE1 4.15Å; G385-Y396 CarbonylContact C-O 3.57Å; G385-Y396 WeakPolarHBondContact CA-O 3.32Å; G385-Y396 PolarHBondContact O-N 3.47Å; G385-Y396 VanDerWaalsContact O-O 3.04Å; K387-Y396 HydrophobicContact CB-CD1 4.21Å; K387-Y396 HydrophobicContact CB-CG 4.22Å; K387-Y396 HydrophobicContact CD-CD2 4.38Å; K387-Y396 HydrophobicContact CD-CG 4.04Å; K387-Y396 HydrophobicContact CG-CG 4.26Å; E394-Y396 PolarHBondContact O-N 3.13Å; Y396-Y421 AromaticContact CE1-CD2 3.67Å; Y396-Y421 HydrophobicContact CE1-CD2 3.67Å; Y396-Y421 HydrophobicContact CE1-CG 4.34Å; Y396-Y421 AromaticContact CZ-CD2 3.98Å; Y396-Y421 PolarHBondContact OH-N 3.26Å; Y396-L428 HydrophobicContact CE1-CB 4.37Å; Y396-L428 WeakPolarHBondContact CE2-O 3.27Å; Y396-L428 WeakPolarHBondContact OH-CB 3.46Å; Y396-G429 PolarHBondContact OH-O 2.86Å; Y396-A431 HydrophobicContact CD1-CB 4.16Å; Y396-A431 HydrophobicContact CD2-CB 4.02Å; Y396-A431 HydrophobicContact CE1-CB 3.84Å; Y396-A431 HydrophobicContact CE2-CB 3.68Å; Y396-A431 HydrophobicContact CG-CB 4.25Å
397	G	96.3	Very high	96.4	Very high	42 Å²	42	60 Å²	60	43%	0.433	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67.8	-132	173.2	0	0	0	0	0	113
398	E	96.7	Very high	96.5	Very high	69 Å²	69	58.3 Å²	58.3	32%	0.322	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	165.5	-177.7	-75	-170.9	-161.3	0	0	111.8	Y381 G385 K423 Q426 L428	Y381-E398 PolarHBondContact OH-N 3.2Å; Y381-E398 PolarHBondContact OH-O 3Å; G385-E398 VanDerWaalsContact CA-O 3.27Å; G385-E398 WeakPolarHBondContact CA-O 3.41Å; E398-K423 HydrophobicContact CB-CD 3.96Å; E398-K423 IonicContact OE2-NZ 3.45Å; E398-K423 PolarHBondContact OE2-NZ 2.82Å; E398-Q426 PolarHBondContact OE1-NE2 2.98Å; E398-L428 HydrophobicContact CB-CD2 4.31Å; E398-L428 HydrophobicContact CG-CD2 4.04Å
399	K	97.2	Very high	96.6	Very high	156 Å²	156	58.7 Å²	58.7	68%	0.678	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	142.2	164.6	-60.4	-172	178.7	176.8	0	109.7	L383 K384 K423	L383-K399 VanDerWaalsContact O-CA 3.28Å; L383-K399 WeakPolarHBondContact O-CA 3.3Å; K384-K399 WeakPolarHBondContact O-CE 3.34Å; K384-K399 WeakPolarHBondContact O-CG 3.48Å; K399-K423 WeakPolarHBondContact O-CE 3.37Å; K399-K423 PolarHBondContact O-NZ 3.05Å
400	F	97.4	Very high	96.7	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.018	30%	0.303	C	S	.	.			trans	-130	156.5	176	64.9	-101.8	0	0	0	111.7	M338 V340 V359 I361 Y381 S382 L383 D404 I406 K423	M338-F400 HydrophobicContact CE-CE2 4.32Å; V340-F400 HydrophobicContact CG2-CD2 3.96Å; V340-F400 HydrophobicContact CG2-CE2 3.83Å; V359-F400 HydrophobicContact CB-CE2 4.44Å; I361-F400 HydrophobicContact CG2-CZ 4.47Å; Y381-F400 HydrophobicContact CD1-CE1 4.03Å; Y381-F400 AromaticContact CE1-CD1 3.97Å; Y381-F400 HydrophobicContact CE1-CD1 3.97Å; Y381-F400 AromaticContact CE1-CE1 3.67Å; Y381-F400 HydrophobicContact CE1-CE1 3.67Å; Y381-F400 HydrophobicContact CE2-CE1 4.36Å; Y381-F400 AromaticContact CZ-CD1 3.89Å; Y381-F400 AromaticContact CZ-CE1 3.85Å; S382-F400 VanDerWaalsContact C-CE1 3.44Å; S382-F400 WeakPolarHBondContact O-CE1 3.47Å; L383-F400 VanDerWaalsContact CA-CE1 3.45Å; L383-F400 HydrophobicContact CB-CD1 4.38Å; L383-F400 HydrophobicContact CB-CD2 3.76Å; L383-F400 HydrophobicContact CB-CE1 4.28Å; L383-F400 HydrophobicContact CB-CE2 3.62Å; L383-F400 HydrophobicContact CB-CG 4.14Å; L383-F400 HydrophobicContact CB-CZ 3.9Å; L383-F400 WeakPolarHBondContact CB-O 3.36Å; L383-F400 VanDerWaalsContact CD1-O 3.31Å; L383-F400 WeakPolarHBondContact CD1-O 3.47Å; L383-F400 PolarHBondContact O-N 2.96Å; F400-D404 WeakPolarHBondContact CA-OD2 3.45Å; F400-D404 HydrophobicContact CB-CB 3.95Å; F400-D404 WeakPolarHBondContact CB-OD2 3.48Å; F400-I406 HydrophobicContact CB-CD1 3.94Å; F400-I406 HydrophobicContact CD1-CD1 3.54Å; F400-I406 HydrophobicContact CD1-CG1 3.85Å; F400-I406 HydrophobicContact CD2-CD1 4.21Å; F400-I406 HydrophobicContact CD2-CG1 4.02Å; F400-I406 HydrophobicContact CE1-CD1 3.98Å; F400-I406 HydrophobicContact CE1-CG1 3.8Å; F400-I406 HydrophobicContact CE2-CG1 3.99Å; F400-I406 HydrophobicContact CG-CD1 3.67Å; F400-I406 HydrophobicContact CG-CG1 3.96Å; F400-I406 HydrophobicContact CZ-CD1 4.49Å; F400-I406 HydrophobicContact CZ-CG1 3.88Å; F400-K423 HydrophobicContact CB-CD 4.24Å
401	D	96.3	Very high	96.8	Very high	75 Å²	75	54.2 Å²	54.2	40%	0.401	29%	0.285	S	S	.	.			trans	-141.1	-167.9	-172.3	-141.8	-54.9	0	0	0	112.8	K343 N403 D404	K343-D401 WeakPolarHBondContact CD-OD1 3.48Å; K343-D401 WeakPolarHBondContact CE-OD1 3.29Å; K343-D401 IonicContact NZ-OD1 2.86Å; K343-D401 PolarHBondContact NZ-OD1 3.18Å; K343-D401 IonicContact NZ-OD2 2.91Å; K343-D401 PolarHBondContact NZ-OD2 3.38Å; D401-N403 PolarHBondContact O-N 2.84Å; D401-D404 PolarHBondContact N-OD2 2.89Å; D401-D404 WeakPolarHBondContact O-CB 2.94Å; D401-D404 PolarHBondContact O-N 3.39Å
402	E	96.1	Very high	97	Very high	85 Å²	85	51.9 Å²	51.9	40%	0.397	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	133.4	172.9	-67.6	-170.6	154.8	0	0	112	K343 D404	K343-E402 HydrophobicContact CB-CG 4.2Å; K343-E402 WeakPolarHBondContact CB-OE1 3.24Å; K343-E402 HydrophobicContact CD-CG 4.24Å; K343-E402 HydrophobicContact CG-CG 3.93Å; K343-E402 PolarHBondContact N-OE1 2.91Å; E402-D404 VanDerWaalsContact C-N 3.26Å; E402-D404 PolarHBondContact O-N 3.06Å
403	N	96.8	Very high	96.9	Very high	94 Å²	94	50.9 Å²	50.9	50%	0.503	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	-8.7	-177.4	-57.7	-87.2	0	0	0	117.6	K339 V340 D401	K339-N403 VanDerWaalsContact CE-CA 3.46Å; K339-N403 VanDerWaalsContact CE-OD1 3.25Å; K339-N403 WeakPolarHBondContact CE-OD1 3.22Å; K339-N403 PolarHBondContact NZ-OD1 3.45Å; V340-N403 WeakPolarHBondContact O-CA 3.35Å; V340-N403 PolarHBondContact O-N 2.83Å; D401-N403 PolarHBondContact O-N 2.84Å
404	D	98.2	Very high	96.6	Very high	30 Å²	30	48.9 Å²	48.9	16%	0.16	25%	0.253	C	S	.	.			trans	-64.1	147.1	167	-76	-30.6	0	0	0	110.8	K339 V340 F400 D401 E402 K423 N424	K339-D404 WeakPolarHBondContact CA-O 3.35Å; V340-D404 PolarHBondContact N-O 2.91Å; V340-D404 VanDerWaalsContact N-O 3.09Å; F400-D404 WeakPolarHBondContact CA-OD2 3.45Å; F400-D404 HydrophobicContact CB-CB 3.95Å; F400-D404 WeakPolarHBondContact CB-OD2 3.48Å; D401-D404 PolarHBondContact N-OD2 2.89Å; D401-D404 WeakPolarHBondContact O-CB 2.94Å; D401-D404 PolarHBondContact O-N 3.39Å; E402-D404 VanDerWaalsContact C-N 3.26Å; E402-D404 PolarHBondContact O-N 3.06Å; D404-K423 WeakPolarHBondContact OD2-CE 3.36Å; D404-N424 PolarHBondContact OD1-ND2 2.85Å
405	V	98.4	Very high	96.2	Very high	4 Å²	4	51 Å²	51	2%	0.024	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.9	172.8	-174.9	0	0	0	0	109.3	E337 M338 K339 N424 Y466 F467	E337-V405 HydrophobicContact CB-CG1 3.99Å; E337-V405 HydrophobicContact CG-CG1 4.39Å; M338-V405 CarbonylContact O-C 3.58Å; M338-V405 WeakPolarHBondContact O-CA 3.01Å; K339-V405 HydrophobicContact CB-CG2 3.96Å; K339-V405 HydrophobicContact CD-CG2 4.44Å; K339-V405 HydrophobicContact CG-CG2 3.97Å; V405-N424 PolarHBondContact N-OD1 3.11Å; V405-N424 PolarHBondContact O-N 2.94Å; V405-Y466 HydrophobicContact CG1-CD2 4.01Å; V405-Y466 HydrophobicContact CG1-CG 4.16Å; V405-Y466 HydrophobicContact CG2-CD1 3.95Å; V405-Y466 HydrophobicContact CG2-CD2 4.36Å; V405-Y466 HydrophobicContact CG2-CG 3.85Å; V405-F467 HydrophobicContact CB-CD2 3.92Å; V405-F467 HydrophobicContact CB-CE2 3.74Å; V405-F467 HydrophobicContact CG1-CD2 4.32Å; V405-F467 HydrophobicContact CG2-CD2 4.27Å; V405-F467 HydrophobicContact CG2-CE2 3.78Å
406	I	98.6	Very high	96.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.9	172.8	-53.3	-54.9	0	0	0	108.6	E337 M338 I361 Y381 F400 Y421 A422 K423	E337-I406 WeakPolarHBondContact CA-O 3.24Å; M338-I406 HydrophobicContact CE-CG1 4.47Å; M338-I406 PolarHBondContact N-O 3.16Å; M338-I406 PolarHBondContact O-N 2.76Å; I361-I406 HydrophobicContact CG2-CB 4.4Å; I361-I406 HydrophobicContact CG2-CG2 4.04Å; Y381-I406 HydrophobicContact CD1-CG2 4.01Å; Y381-I406 HydrophobicContact CE1-CD1 4.22Å; Y381-I406 HydrophobicContact CE1-CG2 3.97Å; F400-I406 HydrophobicContact CB-CD1 3.94Å; F400-I406 HydrophobicContact CD1-CD1 3.54Å; F400-I406 HydrophobicContact CD1-CG1 3.85Å; F400-I406 HydrophobicContact CD2-CD1 4.21Å; F400-I406 HydrophobicContact CD2-CG1 4.02Å; F400-I406 HydrophobicContact CE1-CD1 3.98Å; F400-I406 HydrophobicContact CE1-CG1 3.8Å; F400-I406 HydrophobicContact CE2-CG1 3.99Å; F400-I406 HydrophobicContact CG-CD1 3.67Å; F400-I406 HydrophobicContact CG-CG1 3.96Å; F400-I406 HydrophobicContact CZ-CD1 4.49Å; F400-I406 HydrophobicContact CZ-CG1 3.88Å; I406-Y421 HydrophobicContact CG2-CD1 4Å; I406-A422 CarbonylContact C-O 3.59Å; I406-A422 WeakPolarHBondContact CA-O 3.43Å; I406-K423 HydrophobicContact CD1-CB 3.86Å; I406-K423 HydrophobicContact CD1-CG 4.01Å
407	T	98.6	Very high	96.1	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.8	166.7	-45.6	0	0	0	0	108.1	C335 F336 E337 F409 Y421 A422 I469	C335-T407 HydrophobicContact CB-CG2 4.39Å; F336-T407 WeakPolarHBondContact O-CA 2.78Å; E337-T407 HydrophobicContact CG-CG2 4.08Å; T407-F409 HydrophobicContact CG2-CD1 4.43Å; T407-F409 HydrophobicContact CG2-CE1 3.74Å; T407-F409 HydrophobicContact CG2-CE2 3.85Å; T407-F409 HydrophobicContact CG2-CZ 3.41Å; T407-F409 VanDerWaalsContact CG2-CZ 3.41Å; T407-Y421 CarbonylContact O-C 3.53Å; T407-Y421 VanDerWaalsContact O-CA 3.29Å; T407-Y421 WeakPolarHBondContact O-CA 3.49Å; T407-A422 PolarHBondContact N-O 3.05Å; T407-A422 PolarHBondContact O-N 2.87Å; T407-I469 HydrophobicContact CG2-CG2 4.16Å
408	C	98.6	Very high	96.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.7	179.6	-56.5	0	0	0	0	108.9	C335 F336 I361 Y421	C335-C408 WeakPolarHBondContact CA-O 3.26Å; F336-C408 HydrophobicContact CD1-CB 3.91Å; F336-C408 HydrophobicContact CE1-CB 3.46Å; F336-C408 VanDerWaalsContact CE1-CB 3.46Å; F336-C408 HydrophobicContact CE2-CB 4.4Å; F336-C408 HydrophobicContact CZ-CB 3.73Å; F336-C408 PolarHBondContact N-O 2.84Å; F336-C408 VanDerWaalsContact N-O 3.08Å; F336-C408 PolarHBondContact O-N 3.05Å; I361-C408 WeakPolarHBondContact CD1-SG 3.28Å; I361-C408 VanDerWaalsContact CG1-SG 3.53Å; C408-Y421 HydrophobicContact CB-CD1 4.05Å; C408-Y421 HydrophobicContact CB-CE1 3.99Å; C408-Y421 VanDerWaalsContact SG-CD1 3.52Å; C408-Y421 VanDerWaalsContact SG-CE1 3.56Å
409	F	98.4	Very high	96.2	Very high	12 Å²	12	43 Å²	43	5%	0.053	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	149.7	-177.8	-58.3	-80.2	0	0	0	110.7	C335 W363 T407 S420 A422 Y473	C335-F409 HydrophobicContact CB-CD1 3.6Å; C335-F409 HydrophobicContact CB-CE1 3.9Å; W363-F409 PolarHBondContact NE1-O 3.34Å; T407-F409 HydrophobicContact CG2-CD1 4.43Å; T407-F409 HydrophobicContact CG2-CE1 3.74Å; T407-F409 HydrophobicContact CG2-CE2 3.85Å; T407-F409 HydrophobicContact CG2-CZ 3.41Å; T407-F409 VanDerWaalsContact CG2-CZ 3.41Å; F409-S420 WeakPolarHBondContact CB-OG 3.42Å; F409-S420 PolarHBondContact N-O 2.81Å; F409-S420 PolarHBondContact O-N 2.74Å; F409-A422 HydrophobicContact CE2-CB 3.74Å; F409-A422 HydrophobicContact CZ-CB 4.4Å; F409-Y473 HydrophobicContact CB-CD1 4.33Å; F409-Y473 HydrophobicContact CB-CE1 3.75Å; F409-Y473 AromaticContact CD1-CD1 3.56Å; F409-Y473 HydrophobicContact CD1-CD1 3.56Å; F409-Y473 HydrophobicContact CD1-CD2 4.05Å; F409-Y473 AromaticContact CD1-CE1 3.75Å; F409-Y473 HydrophobicContact CD1-CE1 3.75Å; F409-Y473 HydrophobicContact CD1-CE2 4.21Å; F409-Y473 AromaticContact CD1-CG 3.71Å; F409-Y473 HydrophobicContact CD1-CG 3.71Å; F409-Y473 HydrophobicContact CE1-CD1 4.38Å; F409-Y473 HydrophobicContact CE1-CD2 4.28Å; F409-Y473 HydrophobicContact CE1-CG 4.1Å; F409-Y473 HydrophobicContact CG-CD1 4.39Å; F409-Y473 HydrophobicContact CG-CE1 4.16Å
410	A	98.1	Very high	96.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	116.2	166.6	0	0	0	0	0	109.1	V334 W363 F412 L419	V334-A410 PolarHBondContact N-O 3.48Å; V334-A410 PolarHBondContact O-N 3.06Å; W363-A410 HydrophobicContact CD2-CB 4.26Å; W363-A410 HydrophobicContact CH2-CB 4.03Å; W363-A410 HydrophobicContact CZ2-CB 3.6Å; A410-F412 HydrophobicContact CB-CD2 4.27Å; A410-F412 HydrophobicContact CB-CE2 3.6Å; A410-F412 HydrophobicContact CB-CZ 4.16Å; A410-L419 HydrophobicContact CB-CD2 3.6Å
411	N	97.2	Very high	96.3	Very high	9 Å²	9	36 Å²	36	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.2	174.8	172.8	20.5	0	0	0	109	K333 E413 S414 V417 E418	K333-N411 HydrophobicContact CG-CB 4.23Å; N411-E413 WeakPolarHBondContact OD1-CB 3.4Å; N411-E413 PolarHBondContact OD1-N 3.21Å; N411-S414 PolarHBondContact ND2-OG 2.88Å; N411-V417 WeakPolarHBondContact O-CA 3.23Å; N411-E418 HydrophobicContact CB-CB 4.28Å; N411-E418 PolarHBondContact N-O 3.39Å; N411-E418 PolarHBondContact ND2-OE2 2.68Å; N411-E418 PolarHBondContact O-N 3.17Å
412	F	96.1	Very high	96.4	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.057	17%	0.169	C	C	.	.			trans	-102.6	7.1	175.8	-60.3	-96.2	0	0	0	112.5	V329 S330 G332 A410 V417 K436 L444	V329-F412 HydrophobicContact CG2-CE2 3.86Å; V329-F412 HydrophobicContact CG2-CZ 4.22Å; V329-F412 VanDerWaalsContact O-CZ 3.32Å; V329-F412 WeakPolarHBondContact O-CZ 3.16Å; S330-F412 VanDerWaalsContact C-CD1 3.5Å; S330-F412 WeakPolarHBondContact O-CD1 3.31Å; G332-F412 WeakPolarHBondContact O-CB 3.32Å; G332-F412 WeakPolarHBondContact O-CD2 3.5Å; G332-F412 PolarHBondContact O-N 3.39Å; A410-F412 HydrophobicContact CB-CD2 4.27Å; A410-F412 HydrophobicContact CB-CE2 3.6Å; A410-F412 HydrophobicContact CB-CZ 4.16Å; F412-V417 HydrophobicContact CD1-CB 4.3Å; F412-V417 HydrophobicContact CD1-CG1 3.68Å; F412-V417 HydrophobicContact CD1-CG2 3.58Å; F412-V417 HydrophobicContact CE1-CG1 3.75Å; F412-V417 HydrophobicContact CE1-CG2 4.18Å; F412-V417 HydrophobicContact CG-CG1 4.2Å; F412-V417 HydrophobicContact CG-CG2 4.38Å; F412-V417 HydrophobicContact CZ-CG1 4.35Å; F412-K436 WeakPolarHBondContact O-CE 3.46Å; F412-K436 PolarHBondContact O-NZ 2.81Å; F412-L444 HydrophobicContact CE1-CD1 4.12Å; F412-L444 HydrophobicContact CZ-CB 4.27Å; F412-L444 HydrophobicContact CZ-CD1 4.03Å; F412-L444 HydrophobicContact CZ-CG 4.44Å
413	E	92.5	Very high	96.5	Very high	111 Å²	111	30.2 Å²	30.2	52%	0.519	16%	0.157	S	C	.	.	S	Bend	trans	-88.1	-41.7	-176	-61.3	-178.8	168.5	0	0	112	K333 N411 K436	K333-E413 WeakPolarHBondContact CD-OE2 3.37Å; K333-E413 WeakPolarHBondContact CE-OE2 3.34Å; K333-E413 HydrophobicContact CG-CG 4.29Å; K333-E413 IonicContact NZ-OE2 3.06Å; K333-E413 PolarHBondContact NZ-OE2 3.43Å; N411-E413 WeakPolarHBondContact OD1-CB 3.4Å; N411-E413 PolarHBondContact OD1-N 3.21Å; E413-K436 PolarHBondContact O-NZ 3.35Å
414	S	86.6	Confident	96.5	Very high	42 Å²	42	28.3 Å²	28.3	29%	0.294	15%	0.147	S	C	.	.	S	Bend	trans	-52.8	159.4	169.9	-66.7	0	0	0	0	112.7	N411 E416 E418 K436	N411-S414 PolarHBondContact ND2-OG 2.88Å; S414-E416 CarbonylContact C-O 3.39Å; S414-E416 VanDerWaalsContact CB-O 3.3Å; S414-E416 WeakPolarHBondContact CB-O 3.44Å; S414-E416 PolarHBondContact O-N 2.73Å; S414-E416 VanDerWaalsContact O-O 3.09Å; S414-E418 VanDerWaalsContact CB-OE2 3.28Å; S414-E418 WeakPolarHBondContact CB-OE2 3.15Å; S414-E418 PolarHBondContact OG-OE2 2.82Å; S414-K436 WeakPolarHBondContact O-CE 3.34Å; S414-K436 PolarHBondContact O-NZ 3.22Å
415	D	87.3	Confident	96.4	Very high	157 Å²	157	28.8 Å²	28.8	84%	0.84	16%	0.159	S	C	*	.	S	Bend	trans	-56.9	-37.1	-179.5	-65.3	-50.4	0	0	0	112.7	K436	D415-K436 VanDerWaalsContact O-CD 3.3Å; D415-K436 WeakPolarHBondContact O-CD 3.36Å
416	E	94.9	Very high	96.3	Very high	75 Å²	75	33.9 Å²	33.9	35%	0.35	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	155.7	167.1	-58.1	178.8	116.8	0	0	110.6	S414 K433	S414-E416 CarbonylContact C-O 3.39Å; S414-E416 VanDerWaalsContact CB-O 3.3Å; S414-E416 WeakPolarHBondContact CB-O 3.44Å; S414-E416 PolarHBondContact O-N 2.73Å; S414-E416 VanDerWaalsContact O-O 3.09Å; E416-K433 WeakPolarHBondContact OE2-CD 3.48Å; E416-K433 IonicContact OE2-NZ 2.65Å; E416-K433 PolarHBondContact OE2-NZ 2.83Å
417	V	97.1	Very high	96.3	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.7	165.5	-178	0	0	0	0	108.7	N411 F412 L419 I434 K436 L439 L444	N411-V417 WeakPolarHBondContact O-CA 3.23Å; F412-V417 HydrophobicContact CD1-CB 4.3Å; F412-V417 HydrophobicContact CD1-CG1 3.68Å; F412-V417 HydrophobicContact CD1-CG2 3.58Å; F412-V417 HydrophobicContact CE1-CG1 3.75Å; F412-V417 HydrophobicContact CE1-CG2 4.18Å; F412-V417 HydrophobicContact CG-CG1 4.2Å; F412-V417 HydrophobicContact CG-CG2 4.38Å; F412-V417 HydrophobicContact CZ-CG1 4.35Å; V417-L419 HydrophobicContact CG1-CD2 4.18Å; V417-I434 HydrophobicContact CB-CB 4.39Å; V417-I434 PolarHBondContact N-O 2.9Å; V417-I434 PolarHBondContact O-N 2.87Å; V417-K436 HydrophobicContact CG2-CG 3.85Å; V417-L439 HydrophobicContact CB-CD1 3.9Å; V417-L439 HydrophobicContact CG1-CD1 4.3Å; V417-L439 HydrophobicContact CG2-CD1 3.62Å; V417-L444 HydrophobicContact CG1-CD1 4.35Å
418	E	97.8	Very high	96.2	Very high	29 Å²	29	40 Å²	40	14%	0.136	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.2	-176.2	-56.1	178.1	123.7	0	0	109.5	N411 S414 I430 K433	N411-E418 HydrophobicContact CB-CB 4.28Å; N411-E418 PolarHBondContact N-O 3.39Å; N411-E418 PolarHBondContact ND2-OE2 2.68Å; N411-E418 PolarHBondContact O-N 3.17Å; S414-E418 VanDerWaalsContact CB-OE2 3.28Å; S414-E418 WeakPolarHBondContact CB-OE2 3.15Å; S414-E418 PolarHBondContact OG-OE2 2.82Å; E418-I430 HydrophobicContact CB-CD1 4.49Å; E418-I430 HydrophobicContact CB-CG2 4.31Å; E418-I430 HydrophobicContact CG-CD1 4.49Å; E418-I430 WeakPolarHBondContact OE1-CD1 3.41Å; E418-K433 HydrophobicContact CG-CG 4.36Å; E418-K433 WeakPolarHBondContact OE1-CE 3.46Å; E418-K433 IonicContact OE1-NZ 3.78Å; E418-K433 PolarHBondContact OE1-NZ 3.03Å
419	L	98.4	Very high	96.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.5	176.1	-51.4	-178.9	0	0	0	109.1	W363 Y379 A410 V417 A431 F432 I434 L444	W363-L419 HydrophobicContact CB-CD1 4.11Å; W363-L419 HydrophobicContact CG-CD1 4.31Å; W363-L419 HydrophobicContact CG-CD2 4.23Å; Y379-L419 HydrophobicContact CD2-CD1 3.68Å; Y379-L419 HydrophobicContact CG-CD1 3.7Å; A410-L419 HydrophobicContact CB-CD2 3.6Å; V417-L419 HydrophobicContact CG1-CD2 4.18Å; L419-A431 PolarHBondContact O-N 2.81Å; L419-F432 HydrophobicContact CB-CB 4.19Å; L419-F432 HydrophobicContact CB-CD2 4.23Å; L419-F432 HydrophobicContact CD1-CB 4.33Å; L419-F432 HydrophobicContact CD1-CD2 4.35Å; L419-F432 HydrophobicContact CG-CB 4.45Å; L419-F432 PolarHBondContact N-O 3.05Å; L419-F432 PolarHBondContact O-N 3.29Å; L419-I434 HydrophobicContact CD1-CD1 3.73Å; L419-I434 HydrophobicContact CG-CD1 4.08Å; L419-L444 HydrophobicContact CD1-CD1 4.49Å; L419-L444 HydrophobicContact CD2-CD1 4.11Å
420	S	98.1	Very high	96.1	Very high	14 Å²	14	44.6 Å²	44.6	10%	0.098	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	166.1	178.3	61.7	0	0	0	0	111.2	F409 G429	F409-S420 WeakPolarHBondContact CB-OG 3.42Å; F409-S420 PolarHBondContact N-O 2.81Å; F409-S420 PolarHBondContact O-N 2.74Å; S420-G429 WeakPolarHBondContact CB-O 3.25Å
421	Y	98.4	Very high	96.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146	-177.5	-58.9	-90.3	0	0	0	109.9	G362 Y381 Y396 I406 T407 C408 L428 A431 F432	G362-Y421 VanDerWaalsContact CA-OH 3.3Å; G362-Y421 WeakPolarHBondContact CA-OH 3.27Å; Y381-Y421 AromaticContact CD1-CD1 3.65Å; Y381-Y421 HydrophobicContact CD1-CD1 3.65Å; Y381-Y421 HydrophobicContact CD1-CD2 4.05Å; Y381-Y421 HydrophobicContact CD1-CE1 4.23Å; Y381-Y421 AromaticContact CD1-CG 3.55Å; Y381-Y421 HydrophobicContact CD1-CG 3.55Å; Y381-Y421 HydrophobicContact CE1-CG 4.23Å; Y381-Y421 HydrophobicContact CG-CD1 4.3Å; Y381-Y421 HydrophobicContact CG-CD2 4.15Å; Y381-Y421 HydrophobicContact CG-CE2 4.4Å; Y381-Y421 HydrophobicContact CG-CG 4.11Å; Y396-Y421 AromaticContact CE1-CD2 3.67Å; Y396-Y421 HydrophobicContact CE1-CD2 3.67Å; Y396-Y421 HydrophobicContact CE1-CG 4.34Å; Y396-Y421 AromaticContact CZ-CD2 3.98Å; Y396-Y421 PolarHBondContact OH-N 3.26Å; I406-Y421 HydrophobicContact CG2-CD1 4Å; T407-Y421 CarbonylContact O-C 3.53Å; T407-Y421 VanDerWaalsContact O-CA 3.29Å; T407-Y421 WeakPolarHBondContact O-CA 3.49Å; C408-Y421 HydrophobicContact CB-CD1 4.05Å; C408-Y421 HydrophobicContact CB-CE1 3.99Å; C408-Y421 VanDerWaalsContact SG-CD1 3.52Å; C408-Y421 VanDerWaalsContact SG-CE1 3.56Å; Y421-L428 VanDerWaalsContact O-CB 3.24Å; Y421-L428 WeakPolarHBondContact O-CB 3.49Å; Y421-L428 WeakPolarHBondContact O-CG 3.43Å; Y421-L428 PolarHBondContact O-N 2.75Å; Y421-A431 HydrophobicContact CD2-CB 3.82Å; Y421-A431 HydrophobicContact CE2-CB 3.66Å; Y421-F432 HydrophobicContact CE2-CD2 4.46Å; Y421-F432 HydrophobicContact CE2-CE2 4.28Å
422	A	98.2	Very high	96.1	Very high	5 Å²	5	45.4 Å²	45.4	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.4	166.4	0	0	0	0	0	110.1	I406 T407 F409 Q426	I406-A422 CarbonylContact C-O 3.59Å; I406-A422 WeakPolarHBondContact CA-O 3.43Å; T407-A422 PolarHBondContact N-O 3.05Å; T407-A422 PolarHBondContact O-N 2.87Å; F409-A422 HydrophobicContact CE2-CB 3.74Å; F409-A422 HydrophobicContact CZ-CB 4.4Å; A422-Q426 CarbonylContact C-O 3.59Å; A422-Q426 WeakPolarHBondContact CA-O 3.28Å; A422-Q426 VanDerWaalsContact CB-O 3.28Å; A422-Q426 WeakPolarHBondContact CB-O 3.43Å
423	K	98.2	Very high	96.2	Very high	33 Å²	33	50 Å²	50	14%	0.143	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.1	173.9	173.3	-173	166.3	-167.2	0	108.4	E398 K399 F400 D404 I406 G425 Q426 L428	E398-K423 HydrophobicContact CB-CD 3.96Å; E398-K423 IonicContact OE2-NZ 3.45Å; E398-K423 PolarHBondContact OE2-NZ 2.82Å; K399-K423 WeakPolarHBondContact O-CE 3.37Å; K399-K423 PolarHBondContact O-NZ 3.05Å; F400-K423 HydrophobicContact CB-CD 4.24Å; D404-K423 WeakPolarHBondContact OD2-CE 3.36Å; I406-K423 HydrophobicContact CD1-CB 3.86Å; I406-K423 HydrophobicContact CD1-CG 4.01Å; K423-G425 PolarHBondContact O-N 3.24Å; K423-G425 VanDerWaalsContact O-N 3.13Å; K423-Q426 PolarHBondContact N-O 3.24Å; K423-Q426 WeakPolarHBondContact O-CB 3.32Å; K423-Q426 PolarHBondContact O-N 3.32Å; K423-L428 HydrophobicContact CB-CD1 4.06Å; K423-L428 HydrophobicContact CB-CD2 4.39Å; K423-L428 HydrophobicContact CB-CG 4.48Å
424	N	97.5	Very high	96.3	Very high	55 Å²	55	45.3 Å²	45.3	29%	0.294	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	37.6	-179.5	-57.1	-29.3	0	0	0	113.6	D404 V405 Q426 F467	D404-N424 PolarHBondContact OD1-ND2 2.85Å; V405-N424 PolarHBondContact N-OD1 3.11Å; V405-N424 PolarHBondContact O-N 2.94Å; N424-Q426 VanDerWaalsContact C-N 3.3Å; N424-Q426 PolarHBondContact O-N 2.82Å; N424-F467 VanDerWaalsContact C-CG 3.48Å; N424-F467 HydrophobicContact CB-CD1 4.49Å; N424-F467 HydrophobicContact CB-CE1 3.84Å; N424-F467 HydrophobicContact CB-CE2 4.03Å; N424-F467 HydrophobicContact CB-CZ 3.59Å; N424-F467 WeakPolarHBondContact O-CD1 3.2Å; N424-F467 VanDerWaalsContact O-CE1 3.23Å; N424-F467 WeakPolarHBondContact O-CE1 3.48Å
425	G	95.6	Very high	96.7	Very high	40 Å²	40	45.4 Å²	45.4	41%	0.412	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-6.5	-176.9	0	0	0	0	0	116	K423	K423-G425 PolarHBondContact O-N 3.24Å; K423-G425 VanDerWaalsContact O-N 3.13Å
426	Q	96.9	Very high	97	Very high	111 Å²	111	41.8 Å²	41.8	52%	0.519	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.6	172	-174.8	-172.2	-54.6	0	0	109.8	E398 A422 K423 N424	E398-Q426 PolarHBondContact OE1-NE2 2.98Å; A422-Q426 CarbonylContact C-O 3.59Å; A422-Q426 WeakPolarHBondContact CA-O 3.28Å; A422-Q426 VanDerWaalsContact CB-O 3.28Å; A422-Q426 WeakPolarHBondContact CB-O 3.43Å; K423-Q426 PolarHBondContact N-O 3.24Å; K423-Q426 WeakPolarHBondContact O-CB 3.32Å; K423-Q426 PolarHBondContact O-N 3.32Å; N424-Q426 VanDerWaalsContact C-N 3.3Å; N424-Q426 PolarHBondContact O-N 2.82Å
427	D	97	Very high	96.8	Very high	104 Å²	104	46.3 Å²	46.3	56%	0.556	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	141.2	174.5	-177.7	27.6	0	0	0	111.5	G429	D427-G429 PolarHBondContact OD1-N 2.99Å
428	L	97.5	Very high	96.6	Very high	28 Å²	28	49.7 Å²	49.7	15%	0.147	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	2.8	178	-53.8	173.3	0	0	0	112	Y381 Y396 E398 Y421 K423	Y381-L428 HydrophobicContact CE1-CD1 3.84Å; Y381-L428 WeakPolarHBondContact OH-CD1 3.36Å; Y396-L428 HydrophobicContact CE1-CB 4.37Å; Y396-L428 WeakPolarHBondContact CE2-O 3.27Å; Y396-L428 WeakPolarHBondContact OH-CB 3.46Å; E398-L428 HydrophobicContact CB-CD2 4.31Å; E398-L428 HydrophobicContact CG-CD2 4.04Å; Y421-L428 VanDerWaalsContact O-CB 3.24Å; Y421-L428 WeakPolarHBondContact O-CB 3.49Å; Y421-L428 WeakPolarHBondContact O-CG 3.43Å; Y421-L428 PolarHBondContact O-N 2.75Å; K423-L428 HydrophobicContact CB-CD1 4.06Å; K423-L428 HydrophobicContact CB-CD2 4.39Å; K423-L428 HydrophobicContact CB-CG 4.48Å
429	G	97	Very high	96.4	Very high	26 Å²	26	48.5 Å²	48.5	27%	0.268	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.6	-176.1	-179.4	0	0	0	0	0	113.4	Y396 S420 D427 A431	Y396-G429 PolarHBondContact OH-O 2.86Å; S420-G429 WeakPolarHBondContact CB-O 3.25Å; D427-G429 PolarHBondContact OD1-N 2.99Å; G429-A431 PolarHBondContact O-N 2.82Å
430	I	97.9	Very high	96.1	Very high	81 Å²	81	52 Å²	52	42%	0.415	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.1	-176.3	-57.1	170.4	0	0	0	110.1	E418 F432 K433	E418-I430 HydrophobicContact CB-CD1 4.49Å; E418-I430 HydrophobicContact CB-CG2 4.31Å; E418-I430 HydrophobicContact CG-CD1 4.49Å; E418-I430 WeakPolarHBondContact OE1-CD1 3.41Å; I430-F432 WeakPolarHBondContact CG2-O 3.45Å; I430-K433 HydrophobicContact CG2-CG 3.93Å
431	A	97.8	Very high	95.7	Very high	3 Å²	3	54 Å²	54	3%	0.025	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-43.7	175.9	0	0	0	0	0	112.1	K387 Y396 L419 Y421 G429	K387-A431 HydrophobicContact CD-CB 4.08Å; K387-A431 WeakPolarHBondContact CD-O 3.4Å; K387-A431 PolarHBondContact NZ-O 2.78Å; Y396-A431 HydrophobicContact CD1-CB 4.16Å; Y396-A431 HydrophobicContact CD2-CB 4.02Å; Y396-A431 HydrophobicContact CE1-CB 3.84Å; Y396-A431 HydrophobicContact CE2-CB 3.68Å; Y396-A431 HydrophobicContact CG-CB 4.25Å; L419-A431 PolarHBondContact O-N 2.81Å; Y421-A431 HydrophobicContact CD2-CB 3.82Å; Y421-A431 HydrophobicContact CE2-CB 3.66Å; G429-A431 PolarHBondContact O-N 2.82Å
432	F	97.9	Very high	95.5	Very high	24 Å²	24	58 Å²	58	11%	0.105	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.1	-175.2	-53.5	-84.2	0	0	0	111.1	Y379 K387 C389 L419 Y421 I430	Y379-F432 HydrophobicContact CD1-CB 4.39Å; Y379-F432 AromaticContact CD1-CD1 3.86Å; Y379-F432 HydrophobicContact CD1-CD1 3.86Å; Y379-F432 HydrophobicContact CD1-CD2 4.48Å; Y379-F432 HydrophobicContact CD1-CE1 4.18Å; Y379-F432 HydrophobicContact CD1-CG 4.01Å; Y379-F432 HydrophobicContact CG-CD2 4.49Å; Y379-F432 HydrophobicContact CG-CG 4.41Å; K387-F432 HydrophobicContact CB-CE1 4.39Å; K387-F432 HydrophobicContact CB-CE2 4.14Å; K387-F432 HydrophobicContact CB-CZ 3.71Å; K387-F432 HydrophobicContact CD-CE1 4.21Å; K387-F432 HydrophobicContact CD-CZ 4.26Å; K387-F432 HydrophobicContact CG-CE1 4.45Å; K387-F432 HydrophobicContact CG-CZ 4.25Å; C389-F432 HydrophobicContact CB-CD1 4.45Å; C389-F432 HydrophobicContact CB-CE1 3.72Å; C389-F432 HydrophobicContact CB-CZ 4.4Å; L419-F432 HydrophobicContact CB-CB 4.19Å; L419-F432 HydrophobicContact CB-CD2 4.23Å; L419-F432 HydrophobicContact CD1-CB 4.33Å; L419-F432 HydrophobicContact CD1-CD2 4.35Å; L419-F432 HydrophobicContact CG-CB 4.45Å; L419-F432 PolarHBondContact N-O 3.05Å; L419-F432 PolarHBondContact O-N 3.29Å; Y421-F432 HydrophobicContact CE2-CD2 4.46Å; Y421-F432 HydrophobicContact CE2-CE2 4.28Å; I430-F432 WeakPolarHBondContact CG2-O 3.45Å
433	K	97.1	Very high	95.5	Very high	108 Å²	108	58.9 Å²	58.9	47%	0.47	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.9	169.4	-76.4	174.8	151.7	-75.1	0	107.9	E416 E418 I430	E416-K433 WeakPolarHBondContact OE2-CD 3.48Å; E416-K433 IonicContact OE2-NZ 2.65Å; E416-K433 PolarHBondContact OE2-NZ 2.83Å; E418-K433 HydrophobicContact CG-CG 4.36Å; E418-K433 WeakPolarHBondContact OE1-CE 3.46Å; E418-K433 IonicContact OE1-NZ 3.78Å; E418-K433 PolarHBondContact OE1-NZ 3.03Å; I430-K433 HydrophobicContact CG2-CG 3.93Å
434	I	95.9	Very high	95.5	Very high	13 Å²	13	57.3 Å²	57.3	7%	0.067	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	122.9	-170.5	-45.8	160.5	0	0	0	109.1	Y379 V417 L419 K436 L439	Y379-I434 HydrophobicContact CD1-CD1 4.23Å; Y379-I434 HydrophobicContact CD2-CD1 3.87Å; Y379-I434 HydrophobicContact CE1-CD1 3.85Å; Y379-I434 HydrophobicContact CE1-CG1 4.1Å; Y379-I434 HydrophobicContact CE2-CD1 3.45Å; Y379-I434 VanDerWaalsContact CE2-CD1 3.45Å; Y379-I434 HydrophobicContact CE2-CG1 4.46Å; Y379-I434 HydrophobicContact CG-CD1 4.25Å; Y379-I434 VanDerWaalsContact CZ-CD1 3.45Å; V417-I434 HydrophobicContact CB-CB 4.39Å; V417-I434 PolarHBondContact N-O 2.9Å; V417-I434 PolarHBondContact O-N 2.87Å; L419-I434 HydrophobicContact CD1-CD1 3.73Å; L419-I434 HydrophobicContact CG-CD1 4.08Å; I434-K436 PolarHBondContact O-N 3.24Å; I434-L439 HydrophobicContact CB-CD1 4.17Å; I434-L439 HydrophobicContact CD1-CD1 4.48Å; I434-L439 HydrophobicContact CG2-CD1 3.8Å; I434-L439 HydrophobicContact CG2-CD2 4.25Å; I434-L439 HydrophobicContact CG2-CG 3.7Å
435	S	94.4	Very high	95.5	Very high	44 Å²	44	54.7 Å²	54.7	31%	0.308	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	131.1	174.7	167.4	0	0	0	0	111.4	E437 V438 L439	S435-E437 PolarHBondContact O-N 2.78Å; S435-E437 PolarHBondContact OG-N 2.8Å; S435-V438 PolarHBondContact O-N 3.43Å; S435-V438 VanDerWaalsContact O-N 3.15Å; S435-L439 PolarHBondContact O-N 3Å
436	K	92.4	Very high	95.7	Very high	82 Å²	82	52.9 Å²	52.9	36%	0.357	29%	0.294	S	S	.	.	H	α-helix	trans	-57.9	-30	175.6	-74.3	177.6	172.5	171.8	0	112.7	F412 E413 S414 D415 V417 I434 A440	F412-K436 WeakPolarHBondContact O-CE 3.46Å; F412-K436 PolarHBondContact O-NZ 2.81Å; E413-K436 PolarHBondContact O-NZ 3.35Å; S414-K436 WeakPolarHBondContact O-CE 3.34Å; S414-K436 PolarHBondContact O-NZ 3.22Å; D415-K436 VanDerWaalsContact O-CD 3.3Å; D415-K436 WeakPolarHBondContact O-CD 3.36Å; V417-K436 HydrophobicContact CG2-CG 3.85Å; I434-K436 PolarHBondContact O-N 3.24Å; K436-A440 PolarHBondContact O-N 3.32Å
437	E	92.6	Very high	95.8	Very high	170 Å²	170	47.7 Å²	47.7	79%	0.794	27%	0.269	S	S	*	.	H	α-helix	trans	-66.3	-44.1	177.6	-57.2	-173.8	148.2	0	0	111.3	S435 A440	S435-E437 PolarHBondContact O-N 2.78Å; S435-E437 PolarHBondContact OG-N 2.8Å; E437-A440 WeakPolarHBondContact O-CA 3.39Å; E437-A440 PolarHBondContact O-N 3.41Å
438	V	92.9	Very high	95.8	Very high	73 Å²	73	42.8 Å²	42.8	44%	0.442	24%	0.243	S	C	.	.	H	α-helix	trans	-69.7	-37.6	-179.5	-170.4	0	0	0	0	110.6	F377 S435 A440 R442	F377-V438 HydrophobicContact CE1-CG1 3.81Å; F377-V438 HydrophobicContact CZ-CG1 3.85Å; S435-V438 PolarHBondContact O-N 3.43Å; S435-V438 VanDerWaalsContact O-N 3.15Å; V438-A440 PolarHBondContact O-N 2.88Å; V438-R442 PolarHBondContact O-NH2 3.07Å
439	L	91.9	Very high	95.8	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-65.9	-27	169.5	-73.9	170.9	0	0	0	112.4	L365 F377 V417 I434 S435 G441 R442 L444	L365-L439 HydrophobicContact CD2-CD2 4.46Å; F377-L439 HydrophobicContact CD1-CD2 4.25Å; V417-L439 HydrophobicContact CB-CD1 3.9Å; V417-L439 HydrophobicContact CG1-CD1 4.3Å; V417-L439 HydrophobicContact CG2-CD1 3.62Å; I434-L439 HydrophobicContact CB-CD1 4.17Å; I434-L439 HydrophobicContact CD1-CD1 4.48Å; I434-L439 HydrophobicContact CG2-CD1 3.8Å; I434-L439 HydrophobicContact CG2-CD2 4.25Å; I434-L439 HydrophobicContact CG2-CG 3.7Å; S435-L439 PolarHBondContact O-N 3Å; L439-G441 PolarHBondContact O-N 2.83Å; L439-R442 WeakPolarHBondContact O-CB 3.31Å; L439-R442 WeakPolarHBondContact O-CG 3.34Å; L439-R442 PolarHBondContact O-N 2.73Å; L439-R442 PolarHBondContact O-NE 3.31Å; L439-L444 HydrophobicContact CD1-CD1 4.5Å; L439-L444 HydrophobicContact CD2-CD2 4.29Å
440	A	92.1	Very high	95.8	Very high	74 Å²	74	40.2 Å²	40.2	61%	0.612	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	36	179.1	0	0	0	0	0	113.4	K436 E437 V438 R442	K436-A440 PolarHBondContact O-N 3.32Å; E437-A440 WeakPolarHBondContact O-CA 3.39Å; E437-A440 PolarHBondContact O-N 3.41Å; V438-A440 PolarHBondContact O-N 2.88Å; A440-R442 PolarHBondContact O-N 3.1Å
441	G	90.5	Very high	95.6	Very high	55 Å²	55	36.4 Å²	36.4	57%	0.567	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	5.2	-175.5	0	0	0	0	0	115.6	L439	L439-G441 PolarHBondContact O-N 2.83Å
442	R	95.3	Very high	95.4	Very high	83 Å²	83	36.3 Å²	36.3	31%	0.313	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-65.1	130.6	177.9	-62.5	175.2	-70.6	162.2	-1.2	109.9	L365 F377 V438 L439 A440	L365-R442 HydrophobicContact CD1-CB 4.1Å; L365-R442 VanDerWaalsContact CD1-NH1 3.27Å; L365-R442 HydrophobicContact CD2-CB 3.63Å; F377-R442 VanDerWaalsContact CE1-NH2 3.29Å; V438-R442 PolarHBondContact O-NH2 3.07Å; L439-R442 WeakPolarHBondContact O-CB 3.31Å; L439-R442 WeakPolarHBondContact O-CG 3.34Å; L439-R442 PolarHBondContact O-N 2.73Å; L439-R442 PolarHBondContact O-NE 3.31Å; A440-R442 PolarHBondContact O-N 3.1Å
443	P	96.9	Very high	95.3	Very high	24 Å²	24	35.2 Å²	35.2	16%	0.156	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-76.8	137.8	-174.2	30.1	-36	0	0	0	112.9	V329 L365 F445 V485	V329-P443 CarbonylContact O-C 3.11Å; V329-P443 VanDerWaalsContact O-CA 3.27Å; V329-P443 WeakPolarHBondContact O-CA 3.17Å; L365-P443 WeakPolarHBondContact CD2-O 3.48Å; P443-F445 HydrophobicContact CB-CE2 4.36Å; P443-F445 HydrophobicContact CG-CE2 3.99Å; P443-F445 WeakPolarHBondContact O-CD2 3.49Å; P443-V485 HydrophobicContact CB-CB 3.99Å; P443-V485 HydrophobicContact CB-CG2 3.93Å; P443-V485 HydrophobicContact CG-CB 3.7Å; P443-V485 HydrophobicContact CG-CG1 3.9Å; P443-V485 HydrophobicContact CG-CG2 3.84Å
444	L	98.1	Very high	95.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134.7	173.1	-69.1	172.2	0	0	0	110.5	G328 V329 W363 L365 Y379 F412 V417 L419 L439	G328-L444 CarbonylContact C-O 3.07Å; G328-L444 WeakPolarHBondContact CA-O 3.37Å; V329-L444 PolarHBondContact N-O 2.89Å; V329-L444 PolarHBondContact O-N 3.49Å; W363-L444 HydrophobicContact CB-CB 4.27Å; W363-L444 HydrophobicContact CB-CD1 4.39Å; W363-L444 HydrophobicContact CB-CD2 4.45Å; W363-L444 HydrophobicContact CE3-CB 4.12Å; L365-L444 HydrophobicContact CD2-CD2 3.97Å; L365-L444 HydrophobicContact CG-CD2 4.33Å; Y379-L444 HydrophobicContact CD2-CD2 4.27Å; Y379-L444 HydrophobicContact CE2-CD2 4.05Å; F412-L444 HydrophobicContact CE1-CD1 4.12Å; F412-L444 HydrophobicContact CZ-CB 4.27Å; F412-L444 HydrophobicContact CZ-CD1 4.03Å; F412-L444 HydrophobicContact CZ-CG 4.44Å; V417-L444 HydrophobicContact CG1-CD1 4.35Å; L419-L444 HydrophobicContact CD1-CD1 4.49Å; L419-L444 HydrophobicContact CD2-CD1 4.11Å; L439-L444 HydrophobicContact CD1-CD1 4.5Å; L439-L444 HydrophobicContact CD2-CD2 4.29Å
445	F	98.5	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.4	178.3	-70.3	-105	0	0	0	110.1	Y327 G328 W363 S364 T366 P443 H447 V485	Y327-F445 WeakPolarHBondContact O-CD1 3.13Å; G328-F445 VanDerWaalsContact N-CD1 3.32Å; W363-F445 WeakPolarHBondContact CA-O 3.4Å; S364-F445 PolarHBondContact N-O 2.62Å; S364-F445 PolarHBondContact O-N 3.13Å; T366-F445 WeakPolarHBondContact OG1-CE2 3.28Å; T366-F445 WeakPolarHBondContact OG1-CZ 3.43Å; P443-F445 HydrophobicContact CB-CE2 4.36Å; P443-F445 HydrophobicContact CG-CE2 3.99Å; P443-F445 WeakPolarHBondContact O-CD2 3.49Å; F445-H447 PolarHBondContact O-N 2.99Å; F445-V485 WeakPolarHBondContact CZ-O 3.26Å
446	P	98.6	Very high	95.6	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.019	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	127.3	162.1	-27.9	36.1	0	0	0	110.8	R324 A325 Y327 F336 W363 F459 I476	R324-P446 CarbonylContact C-O 3.58Å; R324-P446 VanDerWaalsContact CA-O 3.24Å; R324-P446 WeakPolarHBondContact CA-O 3.11Å; A325-P446 HydrophobicContact CB-CB 3.82Å; A325-P446 HydrophobicContact CB-CG 3.99Å; A325-P446 PolarHBondContact N-O 3.38Å; Y327-P446 WeakPolarHBondContact O-CD 3.4Å; F336-P446 HydrophobicContact CD1-CB 3.95Å; F336-P446 HydrophobicContact CD1-CG 3.83Å; F336-P446 HydrophobicContact CD2-CB 4.19Å; F336-P446 HydrophobicContact CE1-CB 3.59Å; F336-P446 HydrophobicContact CE1-CG 3.84Å; F336-P446 HydrophobicContact CE2-CB 3.83Å; F336-P446 HydrophobicContact CG-CB 4.24Å; F336-P446 HydrophobicContact CG-CG 4.29Å; F336-P446 HydrophobicContact CZ-CB 3.54Å; F336-P446 HydrophobicContact CZ-CG 4.31Å; W363-P446 HydrophobicContact CE3-CG 4.29Å; W363-P446 HydrophobicContact CH2-CG 4.34Å; W363-P446 HydrophobicContact CZ3-CG 3.78Å; P446-F459 HydrophobicContact CB-CE1 3.86Å; P446-F459 HydrophobicContact CG-CE1 4.25Å; P446-I476 HydrophobicContact CG-CD1 3.82Å
447	H	98.6	Very high	95.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	137	-176.3	-171.7	-177.3	0	0	0	109.4	G323 R324 G362 S364 G369 M370 L372 F445	G323-H447 PolarHBondContact O-CD2 2.98Å; R324-H447 HydrophobicContact CG-CB 4.02Å; G362-H447 PolarHBondContact N-O 2.85Å; G362-H447 PolarHBondContact O-N 3.14Å; S364-H447 PolarHBondContact OG-ND1 2.82Å; G369-H447 PolarHBondContact O-CE1 2.82Å; M370-H447 PolarHBondContact O-NE2 3.09Å; M370-H447 VanDerWaalsContact O-NE2 3.14Å; L372-H447 HydrophobicContact CD1-CB 4.08Å; L372-H447 WeakPolarHBondContact CD2-O 3.49Å; F445-H447 PolarHBondContact O-N 2.99Å
448	V	98.3	Very high	96.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.3	171.6	71.5	0	0	0	0	110.7	F299 G322 G323 M338 V359 R360 V455 F457	F299-V448 HydrophobicContact CE1-CG1 4.37Å; F299-V448 HydrophobicContact CE2-CG1 4.12Å; F299-V448 HydrophobicContact CZ-CG1 3.52Å; G322-V448 WeakPolarHBondContact CA-O 3.49Å; G323-V448 PolarHBondContact N-O 3.03Å; G323-V448 PolarHBondContact O-N 3.36Å; M338-V448 HydrophobicContact SD-CG2 3.84Å; V359-V448 HydrophobicContact CG1-CG2 4.12Å; R360-V448 CarbonylContact O-C 3.54Å; R360-V448 WeakPolarHBondContact O-CA 3.15Å; R360-V448 VanDerWaalsContact O-CG2 3.3Å; R360-V448 WeakPolarHBondContact O-CG2 3.42Å; V448-V455 HydrophobicContact CG2-CG2 4.46Å; V448-F457 HydrophobicContact CB-CE1 4.37Å; V448-F457 HydrophobicContact CB-CZ 3.7Å; V448-F457 HydrophobicContact CG1-CE2 4.2Å; V448-F457 HydrophobicContact CG1-CZ 3.66Å; V448-F457 HydrophobicContact CG2-CZ 3.98Å
449	L	97.4	Very high	96.4	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.3	169.6	-174.4	67.1	0	0	0	108.8	W320 V359 R360 M370 L371 L372	W320-L449 HydrophobicContact CB-CD1 3.78Å; W320-L449 HydrophobicContact CB-CD2 4.26Å; W320-L449 HydrophobicContact CB-CG 4.06Å; W320-L449 HydrophobicContact CG-CD2 4.33Å; W320-L449 HydrophobicContact CG-CG 4.42Å; V359-L449 CarbonylContact C-O 3.55Å; V359-L449 WeakPolarHBondContact CA-O 3.35Å; R360-L449 HydrophobicContact CB-CB 4.22Å; R360-L449 PolarHBondContact N-O 3.17Å; R360-L449 PolarHBondContact O-N 2.78Å; M370-L449 WeakPolarHBondContact O-CD1 3.46Å; L371-L449 HydrophobicContact CD2-CD1 3.99Å; L372-L449 HydrophobicContact CB-CB 3.83Å; L372-L449 HydrophobicContact CB-CD2 4.46Å
450	C	95.9	Very high	96.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.4	-179.8	-61.4	0	0	0	0	111.8	F299 A321 E358	F299-C450 HydrophobicContact CE2-CB 4.28Å; A321-C450 PolarHBondContact N-O 3.44Å; A321-C450 PolarHBondContact O-N 2.93Å; E358-C450 CarbonylContact O-C 3.55Å
451	H	94.1	Very high	96.6	Very high	1 Å²	1	15 Å²	15	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	109.3	170.6	-178.2	-123.8	0	0	0	108.6	A317 W320 I356 H357 E358 C453	A317-H451 PolarHBondContact O-NE2 2.87Å; W320-H451 HydrophobicContact CD2-CB 3.92Å; W320-H451 AromaticContact CD2-CD2 3.83Å; W320-H451 AromaticContact CD2-CG 3.79Å; W320-H451 AromaticContact CE2-CG 3.59Å; W320-H451 AromaticContact CE2-ND1 3.78Å; W320-H451 AromaticContact CE3-CD2 3.74Å; W320-H451 AromaticContact CE3-NE2 4Å; W320-H451 HydrophobicContact CG-CB 3.91Å; W320-H451 AromaticContact CH2-CD2 3.91Å; W320-H451 AromaticContact CH2-CE1 3.28Å; W320-H451 WeakPolarHBondContact CH2-CE1 3.43Å; W320-H451 AromaticContact CH2-CG 3.9Å; W320-H451 AromaticContact CH2-ND1 3.52Å; W320-H451 AromaticContact CH2-NE2 3.55Å; W320-H451 HydrophobicContact CZ2-CB 4.2Å; W320-H451 AromaticContact CZ2-CE1 3.64Å; W320-H451 AromaticContact CZ2-CG 3.66Å; W320-H451 AromaticContact CZ2-ND1 3.35Å; W320-H451 VanDerWaalsContact CZ2-ND1 3.35Å; W320-H451 WeakPolarHBondContact CZ2-ND1 3.12Å; W320-H451 AromaticContact CZ3-CD2 3.78Å; W320-H451 AromaticContact CZ3-CE1 3.79Å; W320-H451 AromaticContact CZ3-NE2 3.54Å; I356-H451 PolarHBondContact O-CE1 2.78Å; I356-H451 PolarHBondContact O-ND1 3.06Å; H357-H451 WeakPolarHBondContact CA-O 3.43Å; E358-H451 HydrophobicContact CB-CB 3.92Å; E358-H451 PolarHBondContact N-O 2.74Å; E358-H451 PolarHBondContact O-N 2.78Å; H451-C453 PolarHBondContact O-N 3.45Å; H451-C453 PolarHBondContact O-SG 2.68Å
452	N	94.3	Very high	96.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	55.2	22.7	-173.5	-54.1	-59.1	0	0	0	116	S310 T312 A317 I344 V346 I356 H357	S310-N452 WeakPolarHBondContact OG-CA 3.26Å; S310-N452 PolarHBondContact OG-N 2.78Å; T312-N452 HydrophobicContact CG2-CB 4.06Å; T312-N452 VanDerWaalsContact CG2-OD1 3.26Å; T312-N452 WeakPolarHBondContact CG2-OD1 3.48Å; A317-N452 VanDerWaalsContact CA-OD1 3.24Å; A317-N452 WeakPolarHBondContact CA-OD1 3.47Å; A317-N452 VanDerWaalsContact CB-OD1 3.23Å; A317-N452 WeakPolarHBondContact CB-OD1 3.23Å; A317-N452 PolarHBondContact O-ND2 2.74Å; I344-N452 WeakPolarHBondContact CA-O 3.12Å; I344-N452 VanDerWaalsContact CB-O 3.24Å; I344-N452 WeakPolarHBondContact CB-O 3.41Å; I344-N452 PolarHBondContact N-O 3.21Å; V346-N452 HydrophobicContact CG2-CB 3.75Å; V346-N452 VanDerWaalsContact CG2-CG 3.49Å; V346-N452 WeakPolarHBondContact CG2-OD1 3.41Å; I356-N452 WeakPolarHBondContact O-CB 3.49Å; I356-N452 PolarHBondContact O-ND2 3.17Å; H357-N452 PolarHBondContact CD2-O 2.86Å; H357-N452 VanDerWaalsContact CD2-O 3.23Å
453	C	96.2	Very high	96.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	157.5	179.9	-65.5	0	0	0	0	112.3	S309 S310 E342 V359 H451	S309-C453 WeakPolarHBondContact CA-O 3.2Å; S309-C453 WeakPolarHBondContact CB-O 3.45Å; S310-C453 PolarHBondContact N-O 2.82Å; S310-C453 PolarHBondContact OG-N 2.61Å; E342-C453 CarbonylContact O-C 3.47Å; E342-C453 VanDerWaalsContact O-CA 3.32Å; E342-C453 WeakPolarHBondContact O-CA 3.39Å; V359-C453 HydrophobicContact CG2-CB 3.47Å; V359-C453 VanDerWaalsContact CG2-CB 3.47Å; H451-C453 PolarHBondContact O-N 3.45Å; H451-C453 PolarHBondContact O-SG 2.68Å
454	A	97.5	Very high	96.1	Very high	10 Å²	10	28 Å²	28	8%	0.083	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	145.9	167.5	0	0	0	0	0	110.7	A308 T341 E342 I344	A308-A454 WeakPolarHBondContact O-CA 2.76Å; T341-A454 PolarHBondContact N-O 3.29Å; T341-A454 WeakPolarHBondContact OG1-CB 3.38Å; T341-A454 PolarHBondContact OG1-O 3.31Å; E342-A454 HydrophobicContact CB-CB 4.05Å; E342-A454 PolarHBondContact O-N 2.9Å; I344-A454 HydrophobicContact CD1-CB 4.32Å; I344-A454 HydrophobicContact CG1-CB 4.5Å
455	V	98.3	Very high	96	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.1	-174.5	-69.9	0	0	0	0	111.2	S307 A308 M338 K339 T341 V359 V448 F457	S307-V455 CarbonylContact C-O 3.42Å; S307-V455 VanDerWaalsContact CA-O 3.28Å; S307-V455 WeakPolarHBondContact CA-O 3.48Å; S307-V455 WeakPolarHBondContact CB-O 3.36Å; A308-V455 PolarHBondContact N-O 3.21Å; A308-V455 WeakPolarHBondContact O-CG2 3.45Å; A308-V455 PolarHBondContact O-N 2.91Å; M338-V455 HydrophobicContact CG-CB 3.99Å; M338-V455 HydrophobicContact CG-CG1 4.18Å; M338-V455 HydrophobicContact SD-CB 3.95Å; M338-V455 HydrophobicContact SD-CG1 3.58Å; M338-V455 VanDerWaalsContact SD-CG1 3.58Å; K339-V455 WeakPolarHBondContact O-CA 3.49Å; T341-V455 PolarHBondContact OG1-N 3.48Å; V359-V455 HydrophobicContact CG1-CG1 4.09Å; V359-V455 HydrophobicContact CG2-CG1 4.2Å; V448-V455 HydrophobicContact CG2-CG2 4.46Å; V455-F457 HydrophobicContact CB-CE2 4.19Å; V455-F457 HydrophobicContact CB-CZ 4.44Å; V455-F457 HydrophobicContact CG2-CE2 3.63Å; V455-F457 HydrophobicContact CG2-CZ 4.03Å
456	E	98.1	Very high	95.8	Very high	56 Å²	56	33.5 Å²	33.5	26%	0.262	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.2	175.3	-175.3	-169.6	-171.2	0	0	109.1	L306 M338 K339 T341 K462 Y466	L306-E456 CarbonylContact O-C 3.57Å; M338-E456 CarbonylContact C-O 3.46Å; M338-E456 VanDerWaalsContact CA-O 3.25Å; M338-E456 WeakPolarHBondContact CA-O 3.49Å; K339-E456 HydrophobicContact CB-CB 4.49Å; K339-E456 PolarHBondContact N-O 3.04Å; K339-E456 PolarHBondContact O-N 3.13Å; T341-E456 HydrophobicContact CG2-CB 3.65Å; E456-K462 IonicContact OE1-NZ 3.33Å; E456-K462 PolarHBondContact OE1-NZ 3.42Å; E456-K462 IonicContact OE2-NZ 2.66Å; E456-Y466 PolarHBondContact OE1-OH 3.27Å; E456-Y466 PolarHBondContact OE2-OH 3.46Å
457	F	98.2	Very high	95.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	146.7	-176.8	-66.9	-88.1	0	0	0	111.7	L290 L306 F336 E337 M338 I361 V448 V455 F459	L290-F457 HydrophobicContact CD1-CD2 3.82Å; L290-F457 HydrophobicContact CD1-CE2 3.85Å; L290-F457 HydrophobicContact CD2-CD2 4Å; L290-F457 HydrophobicContact CD2-CE2 3.86Å; L290-F457 HydrophobicContact CD2-CZ 4.34Å; L290-F457 HydrophobicContact CG-CD2 4.08Å; L290-F457 HydrophobicContact CG-CE2 4.28Å; L306-F457 WeakPolarHBondContact O-CD2 3.48Å; L306-F457 PolarHBondContact O-N 3.31Å; F336-F457 HydrophobicContact CD2-CD1 4.11Å; F336-F457 HydrophobicContact CE2-CD1 4.14Å; F336-F457 HydrophobicContact CE2-CE1 4.08Å; E337-F457 WeakPolarHBondContact O-CA 3.37Å; M338-F457 HydrophobicContact CB-CD1 3.83Å; M338-F457 HydrophobicContact CB-CE1 3.64Å; M338-F457 HydrophobicContact CB-CZ 4.33Å; M338-F457 HydrophobicContact CG-CD1 4.08Å; M338-F457 HydrophobicContact CG-CE1 3.61Å; M338-F457 HydrophobicContact CG-CE2 4.41Å; M338-F457 HydrophobicContact CG-CZ 3.76Å; M338-F457 HydrophobicContact SD-CE1 4.14Å; M338-F457 HydrophobicContact SD-CZ 4.02Å; I361-F457 HydrophobicContact CD1-CE1 4.14Å; V448-F457 HydrophobicContact CB-CE1 4.37Å; V448-F457 HydrophobicContact CB-CZ 3.7Å; V448-F457 HydrophobicContact CG1-CE2 4.2Å; V448-F457 HydrophobicContact CG1-CZ 3.66Å; V448-F457 HydrophobicContact CG2-CZ 3.98Å; V455-F457 HydrophobicContact CB-CE2 4.19Å; V455-F457 HydrophobicContact CB-CZ 4.44Å; V455-F457 HydrophobicContact CG2-CE2 3.63Å; V455-F457 HydrophobicContact CG2-CZ 4.03Å; F457-F459 HydrophobicContact CB-CD2 4.07Å; F457-F459 HydrophobicContact CB-CE1 4.37Å; F457-F459 HydrophobicContact CB-CE2 3.52Å; F457-F459 HydrophobicContact CB-CZ 3.69Å; F457-F459 HydrophobicContact CD1-CE1 4.08Å; F457-F459 HydrophobicContact CD1-CE2 4.47Å; F457-F459 AromaticContact CD1-CZ 3.76Å; F457-F459 HydrophobicContact CD1-CZ 3.76Å; F457-F459 HydrophobicContact CD2-CZ 4.45Å; F457-F459 HydrophobicContact CG-CE1 4.41Å; F457-F459 AromaticContact CG-CE2 3.99Å; F457-F459 HydrophobicContact CG-CE2 3.99Å; F457-F459 AromaticContact CG-CZ 3.69Å; F457-F459 HydrophobicContact CG-CZ 3.69Å
458	N	97.8	Very high	95.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	104.9	158.3	175.5	36.3	0	0	0	108.3	E337 G460 Q461 K462 Y466 F475	E337-N458 HydrophobicContact CB-CB 4.23Å; E337-N458 PolarHBondContact N-O 3.18Å; E337-N458 PolarHBondContact O-N 2.91Å; E337-N458 PolarHBondContact OE2-ND2 2.81Å; N458-G460 WeakPolarHBondContact OD1-CA 3.41Å; N458-G460 PolarHBondContact OD1-N 2.92Å; N458-Q461 PolarHBondContact OD1-N 3.39Å; N458-K462 HydrophobicContact CB-CD 4.16Å; N458-K462 HydrophobicContact CB-CG 4.24Å; N458-K462 PolarHBondContact OD1-N 3.18Å; N458-Y466 HydrophobicContact CB-CD2 4.43Å; N458-Y466 HydrophobicContact CB-CE2 4.03Å; N458-F475 WeakPolarHBondContact O-CE1 3.24Å
459	F	97.9	Very high	95.1	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	22%	0.218	C	C	.	.	S	Bend	trans	-84.9	-1.3	172.1	-58.9	-71.6	0	0	0	111.9	V288 L290 L306 A325 F336 P446 F457 F475 I476 Q477	V288-F459 HydrophobicContact CB-CB 4.19Å; V288-F459 HydrophobicContact CB-CG 4.5Å; V288-F459 HydrophobicContact CG1-CB 4.17Å; V288-F459 HydrophobicContact CG1-CD1 4.19Å; V288-F459 HydrophobicContact CG1-CG 4.06Å; V288-F459 WeakPolarHBondContact O-CD2 3.45Å; L290-F459 HydrophobicContact CD2-CZ 4.16Å; L306-F459 HydrophobicContact CD2-CD2 3.82Å; L306-F459 HydrophobicContact CD2-CE2 4.18Å; A325-F459 HydrophobicContact CB-CE1 4Å; A325-F459 HydrophobicContact CB-CZ 4.1Å; F336-F459 HydrophobicContact CB-CD1 3.75Å; F336-F459 HydrophobicContact CB-CE1 4.34Å; F336-F459 HydrophobicContact CD2-CD1 4.07Å; F336-F459 AromaticContact CD2-CE1 3.78Å; F336-F459 HydrophobicContact CD2-CE1 3.78Å; F336-F459 HydrophobicContact CE2-CE1 4.36Å; F336-F459 HydrophobicContact CG-CD1 4.1Å; F336-F459 HydrophobicContact CG-CE1 4.2Å; P446-F459 HydrophobicContact CB-CE1 3.86Å; P446-F459 HydrophobicContact CG-CE1 4.25Å; F457-F459 HydrophobicContact CB-CD2 4.07Å; F457-F459 HydrophobicContact CB-CE1 4.37Å; F457-F459 HydrophobicContact CB-CE2 3.52Å; F457-F459 HydrophobicContact CB-CZ 3.69Å; F457-F459 HydrophobicContact CD1-CE1 4.08Å; F457-F459 HydrophobicContact CD1-CE2 4.47Å; F457-F459 AromaticContact CD1-CZ 3.76Å; F457-F459 HydrophobicContact CD1-CZ 3.76Å; F457-F459 HydrophobicContact CD2-CZ 4.45Å; F457-F459 HydrophobicContact CG-CE1 4.41Å; F457-F459 AromaticContact CG-CE2 3.99Å; F457-F459 HydrophobicContact CG-CE2 3.99Å; F457-F459 AromaticContact CG-CZ 3.69Å; F457-F459 HydrophobicContact CG-CZ 3.69Å; F459-F475 WeakPolarHBondContact O-CB 3.39Å; F459-I476 HydrophobicContact CB-CG2 3.74Å; F459-I476 HydrophobicContact CD1-CG2 3.87Å; F459-I476 HydrophobicContact CG-CG2 4.25Å; F459-I476 PolarHBondContact O-N 2.71Å; F459-Q477 HydrophobicContact CB-CB 4.39Å; F459-Q477 WeakPolarHBondContact O-CB 3.36Å; F459-Q477 PolarHBondContact O-N 3.42Å
460	G	95.6	Very high	94.9	Very high	13 Å²	13	46.5 Å²	46.5	13%	0.134	24%	0.236	C	C	.	.	S	Bend	trans	125.2	9.1	-175.6	0	0	0	0	0	114.4	N458	N458-G460 WeakPolarHBondContact OD1-CA 3.41Å; N458-G460 PolarHBondContact OD1-N 2.92Å
461	Q	92.3	Very high	94.6	Very high	61 Å²	61	56.2 Å²	56.2	29%	0.285	28%	0.281	S	S	.	.			trans	-76	-23	179.1	-66.1	81.3	12.3	0	0	114.1	V288 L306 N458 Q477	V288-Q461 PolarHBondContact O-NE2 2.94Å; L306-Q461 HydrophobicContact CD1-CB 4.08Å; L306-Q461 HydrophobicContact CD1-CG 4.03Å; L306-Q461 HydrophobicContact CD2-CG 4.36Å; N458-Q461 PolarHBondContact OD1-N 3.39Å; Q461-Q477 HydrophobicContact CG-CG 4.39Å
462	K	92.5	Very high	94.6	Very high	73 Å²	73	61.7 Å²	61.7	32%	0.317	31%	0.307	S	S	.	.	S	Bend	trans	-82.7	137	-175.7	-60.3	-167.1	175.4	-165.3	0	110.6	E456 N458 K464 Y466	E456-K462 IonicContact OE1-NZ 3.33Å; E456-K462 PolarHBondContact OE1-NZ 3.42Å; E456-K462 IonicContact OE2-NZ 2.66Å; N458-K462 HydrophobicContact CB-CD 4.16Å; N458-K462 HydrophobicContact CB-CG 4.24Å; N458-K462 PolarHBondContact OD1-N 3.18Å; K462-K464 WeakPolarHBondContact CB-O 3.42Å; K462-K464 PolarHBondContact O-N 2.69Å; K462-Y466 HydrophobicContact CD-CE2 4.34Å; K462-Y466 PolarHBondContact NZ-OH 3.11Å
463	E	89.3	Confident	94.7	Very high	198 Å²	198	63.2 Å²	63.2	93%	0.925	31%	0.313	S	S	*	.	S	Bend	trans	-54.1	-26.1	177.6	-64.7	-172.3	165.1	0	0	113.2
464	K	91.6	Very high	94.7	Very high	164 Å²	164	66.1 Å²	66.1	71%	0.713	33%	0.331	S	S	*	.	S	Bend	trans	-136.6	141.5	171.2	-62.3	179.8	-177.5	177.4	0	108.3	K462	K462-K464 WeakPolarHBondContact CB-O 3.42Å; K462-K464 PolarHBondContact O-N 2.69Å
465	P	94.4	Very high	94.7	Very high	48 Å²	48	66.4 Å²	66.4	31%	0.312	33%	0.33	S	S	.	.			trans	-64.5	167.3	166.7	32.6	-37.2	0	0	0	110.6	E337 F467 F475	E337-P465 WeakPolarHBondContact OE2-CA 3.37Å; E337-P465 WeakPolarHBondContact OE2-CB 3.47Å; P465-F467 VanDerWaalsContact C-N 3.31Å; P465-F467 VanDerWaalsContact CB-O 3.25Å; P465-F467 WeakPolarHBondContact CB-O 3.38Å; P465-F467 WeakPolarHBondContact CG-O 3.32Å; P465-F475 HydrophobicContact CB-CE2 3.85Å; P465-F475 HydrophobicContact CB-CZ 3.75Å; P465-F475 HydrophobicContact CG-CE2 4.48Å
466	Y	94.8	Very high	94.7	Very high	68 Å²	68	66.4 Å²	66.4	27%	0.267	33%	0.33	S	S	.	.	S	Bend	trans	-67.2	-38.5	171.4	-63.1	-95.3	0	0	0	110.5	E337 K339 V405 E456 N458 K462	E337-Y466 HydrophobicContact CB-CD2 4.24Å; E337-Y466 WeakPolarHBondContact OE1-CB 3.31Å; E337-Y466 PolarHBondContact OE1-N 2.83Å; E337-Y466 WeakPolarHBondContact OE2-CD2 3.46Å; E337-Y466 PolarHBondContact OE2-N 2.74Å; E337-Y466 VanDerWaalsContact OE2-N 3.16Å; K339-Y466 HydrophobicContact CB-CE1 4.32Å; K339-Y466 HydrophobicContact CD-CE1 3.91Å; V405-Y466 HydrophobicContact CG1-CD2 4.01Å; V405-Y466 HydrophobicContact CG1-CG 4.16Å; V405-Y466 HydrophobicContact CG2-CD1 3.95Å; V405-Y466 HydrophobicContact CG2-CD2 4.36Å; V405-Y466 HydrophobicContact CG2-CG 3.85Å; E456-Y466 PolarHBondContact OE1-OH 3.27Å; E456-Y466 PolarHBondContact OE2-OH 3.46Å; N458-Y466 HydrophobicContact CB-CD2 4.43Å; N458-Y466 HydrophobicContact CB-CE2 4.03Å; K462-Y466 HydrophobicContact CD-CE2 4.34Å; K462-Y466 PolarHBondContact NZ-OH 3.11Å
467	F	95.5	Very high	94.7	Very high	62 Å²	62	65.4 Å²	65.4	27%	0.272	33%	0.325	S	S	.	.	S	Bend	trans	-131.1	151.6	177.8	-67.1	-87	0	0	0	111.8	E337 V405 N424 P465 I469	E337-F467 PolarHBondContact OE1-N 2.9Å; E337-F467 VanDerWaalsContact OE1-N 3.07Å; V405-F467 HydrophobicContact CB-CD2 3.92Å; V405-F467 HydrophobicContact CB-CE2 3.74Å; V405-F467 HydrophobicContact CG1-CD2 4.32Å; V405-F467 HydrophobicContact CG2-CD2 4.27Å; V405-F467 HydrophobicContact CG2-CE2 3.78Å; N424-F467 VanDerWaalsContact C-CG 3.48Å; N424-F467 HydrophobicContact CB-CD1 4.49Å; N424-F467 HydrophobicContact CB-CE1 3.84Å; N424-F467 HydrophobicContact CB-CE2 4.03Å; N424-F467 HydrophobicContact CB-CZ 3.59Å; N424-F467 WeakPolarHBondContact O-CD1 3.2Å; N424-F467 VanDerWaalsContact O-CE1 3.23Å; N424-F467 WeakPolarHBondContact O-CE1 3.48Å; P465-F467 VanDerWaalsContact C-N 3.31Å; P465-F467 VanDerWaalsContact CB-O 3.25Å; P465-F467 WeakPolarHBondContact CB-O 3.38Å; P465-F467 WeakPolarHBondContact CG-O 3.32Å; F467-I469 PolarHBondContact O-N 3.34Å
468	P	92.9	Very high	94.6	Very high	116 Å²	116	70.1 Å²	70.1	75%	0.753	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-58.5	131.3	175.7	-22.1	33.7	0	0	0	111.4
469	I	93.1	Very high	94.5	Very high	43 Å²	43	70.7 Å²	70.7	22%	0.221	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-97.4	154.2	170.1	61.7	167	0	0	0	110	T407 F467 Y473 F475	T407-I469 HydrophobicContact CG2-CG2 4.16Å; F467-I469 PolarHBondContact O-N 3.34Å; I469-Y473 WeakPolarHBondContact CD1-O 3.45Å; I469-F475 HydrophobicContact CD1-CD2 3.69Å; I469-F475 HydrophobicContact CD1-CE2 3.59Å; I469-F475 HydrophobicContact CD1-CZ 4.43Å; I469-F475 HydrophobicContact CG1-CE2 4.28Å; I469-F475 HydrophobicContact CG2-CE2 4.28Å; I469-F475 HydrophobicContact CG2-CZ 4.23Å
470	P	92.7	Very high	94.4	Very high	58 Å²	58	73.7 Å²	73.7	38%	0.377	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-63.6	143.9	174.3	-16.6	30	0	0	0	111	E472 Y473	P470-E472 HydrophobicContact CB-CG 4.25Å; P470-E472 PolarHBondContact O-N 2.83Å; P470-Y473 HydrophobicContact CB-CD2 4.13Å; P470-Y473 HydrophobicContact CG-CD2 4.07Å; P470-Y473 PolarHBondContact O-N 3.25Å
471	E	89.6	Confident	94.4	Very high	204 Å²	204	76.8 Å²	76.8	95%	0.953	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-21.8	-174.1	-60	-172.5	160	0	0	114.1
472	E	93.7	Very high	94.5	Very high	116 Å²	116	81.6 Å²	81.6	54%	0.542	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.7	177.7	61.7	-177.3	143.9	0	0	114.5	K333 P470	K333-E472 VanDerWaalsContact CB-O 3.25Å; K333-E472 WeakPolarHBondContact CB-O 3.41Å; K333-E472 HydrophobicContact CD-CB 4.18Å; K333-E472 HydrophobicContact CD-CG 4.15Å; K333-E472 WeakPolarHBondContact CE-OE2 3.11Å; K333-E472 IonicContact NZ-OE2 2.72Å; K333-E472 PolarHBondContact NZ-OE2 3.14Å; P470-E472 HydrophobicContact CB-CG 4.25Å; P470-E472 PolarHBondContact O-N 2.83Å
473	Y	96.5	Very high	94.7	Very high	33 Å²	33	80.4 Å²	80.4	13%	0.129	41%	0.406	C	S	.	.			trans	-99.8	135.7	175.9	-79.7	-87.9	0	0	0	112.2	K333 C335 F409 I469 P470	K333-Y473 HydrophobicContact CB-CD1 3.66Å; K333-Y473 HydrophobicContact CB-CE1 3.76Å; K333-Y473 HydrophobicContact CB-CG 4.11Å; K333-Y473 HydrophobicContact CG-CD1 4.44Å; K333-Y473 HydrophobicContact CG-CE1 4.08Å; C335-Y473 HydrophobicContact CB-CD1 4.45Å; F409-Y473 HydrophobicContact CB-CD1 4.33Å; F409-Y473 HydrophobicContact CB-CE1 3.75Å; F409-Y473 AromaticContact CD1-CD1 3.56Å; F409-Y473 HydrophobicContact CD1-CD1 3.56Å; F409-Y473 HydrophobicContact CD1-CD2 4.05Å; F409-Y473 AromaticContact CD1-CE1 3.75Å; F409-Y473 HydrophobicContact CD1-CE1 3.75Å; F409-Y473 HydrophobicContact CD1-CE2 4.21Å; F409-Y473 AromaticContact CD1-CG 3.71Å; F409-Y473 HydrophobicContact CD1-CG 3.71Å; F409-Y473 HydrophobicContact CE1-CD1 4.38Å; F409-Y473 HydrophobicContact CE1-CD2 4.28Å; F409-Y473 HydrophobicContact CE1-CG 4.1Å; F409-Y473 HydrophobicContact CG-CD1 4.39Å; F409-Y473 HydrophobicContact CG-CE1 4.16Å; I469-Y473 WeakPolarHBondContact CD1-O 3.45Å; P470-Y473 HydrophobicContact CB-CD2 4.13Å; P470-Y473 HydrophobicContact CG-CD2 4.07Å; P470-Y473 PolarHBondContact O-N 3.25Å
474	T	96.8	Very high	95	Very high	62 Å²	62	72.3 Å²	72.3	38%	0.38	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.2	176.7	-63.2	0	0	0	0	111.1	K333 V334 C335 N478 V479	K333-T474 PolarHBondContact O-N 3.38Å; V334-T474 CarbonylContact C-O 3.47Å; V334-T474 VanDerWaalsContact CA-O 3.27Å; V334-T474 WeakPolarHBondContact CA-O 3.43Å; C335-T474 PolarHBondContact N-O 3.43Å; T474-N478 HydrophobicContact CG2-CB 3.89Å; T474-V479 HydrophobicContact CG2-CG2 4.14Å
475	F	98	Very high	95.3	Very high	16 Å²	16	67.7 Å²	67.7	7%	0.07	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	137.4	170.9	-90.7	-71.4	0	0	0	111.9	C335 E337 N458 F459 P465 I469 Q477 N478 V479	C335-F475 WeakPolarHBondContact O-CA 3.45Å; E337-F475 HydrophobicContact CG-CE1 4.02Å; E337-F475 HydrophobicContact CG-CZ 4Å; N458-F475 WeakPolarHBondContact O-CE1 3.24Å; F459-F475 WeakPolarHBondContact O-CB 3.39Å; P465-F475 HydrophobicContact CB-CE2 3.85Å; P465-F475 HydrophobicContact CB-CZ 3.75Å; P465-F475 HydrophobicContact CG-CE2 4.48Å; I469-F475 HydrophobicContact CD1-CD2 3.69Å; I469-F475 HydrophobicContact CD1-CE2 3.59Å; I469-F475 HydrophobicContact CD1-CZ 4.43Å; I469-F475 HydrophobicContact CG1-CE2 4.28Å; I469-F475 HydrophobicContact CG2-CE2 4.28Å; I469-F475 HydrophobicContact CG2-CZ 4.23Å; F475-Q477 PolarHBondContact O-N 3.35Å; F475-Q477 VanDerWaalsContact O-N 3.11Å; F475-N478 WeakPolarHBondContact O-CA 3.34Å; F475-N478 WeakPolarHBondContact O-CB 3.39Å; F475-N478 PolarHBondContact O-N 3.1Å; F475-V479 PolarHBondContact O-N 3.33Å
476	I	98	Very high	95.3	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.5	-176	-168.9	169.3	0	0	0	114.2	V288 V329 V334 C335 F336 P446 F459 N478 R484	V288-I476 HydrophobicContact CB-CG2 4.41Å; V288-I476 HydrophobicContact CG1-CD1 4.44Å; V288-I476 HydrophobicContact CG1-CG1 4.39Å; V288-I476 HydrophobicContact CG1-CG2 3.88Å; V288-I476 HydrophobicContact CG2-CG1 4.42Å; V329-I476 HydrophobicContact CG1-CD1 4.07Å; V329-I476 HydrophobicContact CG1-CG1 4.03Å; V329-I476 HydrophobicContact CG2-CD1 4.3Å; V334-I476 HydrophobicContact CG1-CB 3.66Å; V334-I476 HydrophobicContact CG1-CG1 4.05Å; C335-I476 PolarHBondContact O-N 3.02Å; F336-I476 HydrophobicContact CB-CG2 4.26Å; P446-I476 HydrophobicContact CG-CD1 3.82Å; F459-I476 HydrophobicContact CB-CG2 3.74Å; F459-I476 HydrophobicContact CD1-CG2 3.87Å; F459-I476 HydrophobicContact CG-CG2 4.25Å; F459-I476 PolarHBondContact O-N 2.71Å; I476-N478 PolarHBondContact O-N 3.48Å; I476-R484 PolarHBondContact O-NE 3.23Å
477	Q	96.9	Very high	95.3	Very high	35 Å²	35	65.4 Å²	65.4	16%	0.164	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.4	171.5	177.1	56.7	55.3	0	0	113.9	F459 Q461 F475 R484	F459-Q477 HydrophobicContact CB-CB 4.39Å; F459-Q477 WeakPolarHBondContact O-CB 3.36Å; F459-Q477 PolarHBondContact O-N 3.42Å; Q461-Q477 HydrophobicContact CG-CG 4.39Å; F475-Q477 PolarHBondContact O-N 3.35Å; F475-Q477 VanDerWaalsContact O-N 3.11Å; Q477-R484 PolarHBondContact O-NH2 3.38Å
478	N	96.1	Very high	95.1	Very high	100 Å²	100	64.9 Å²	64.9	54%	0.535	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-11.5	-175.5	-62.7	-15.4	0	0	0	113.3	T474 F475 I476	T474-N478 HydrophobicContact CG2-CB 3.89Å; F475-N478 WeakPolarHBondContact O-CA 3.34Å; F475-N478 WeakPolarHBondContact O-CB 3.39Å; F475-N478 PolarHBondContact O-N 3.1Å; I476-N478 PolarHBondContact O-N 3.48Å
479	V	96.9	Very high	94.9	Very high	13 Å²	13	65.3 Å²	65.3	8%	0.079	33%	0.332	C	S	.	.	S	Bend	trans	-57.1	141.2	166.7	176	0	0	0	0	109.6	V329 V334 T474 F475 D483 R484	V329-V479 HydrophobicContact CG1-CG1 4.36Å; V334-V479 HydrophobicContact CG1-CG2 4.1Å; V334-V479 HydrophobicContact CG2-CG2 3.91Å; T474-V479 HydrophobicContact CG2-CG2 4.14Å; F475-V479 PolarHBondContact O-N 3.33Å; V479-D483 HydrophobicContact CG1-CB 3.71Å; V479-R484 HydrophobicContact CB-CG 4.16Å; V479-R484 HydrophobicContact CG1-CG 4.02Å; V479-R484 PolarHBondContact O-NE 3Å; V479-R484 PolarHBondContact O-NH2 2.92Å
480	P	96.2	Very high	94.7	Very high	65 Å²	65	64.4 Å²	64.4	42%	0.422	33%	0.333	S	S	.	.			trans	-54.3	149.2	177.2	-26.7	35.6	0	0	0	113	E482 D483 R484	P480-E482 VanDerWaalsContact C-N 3.32Å; P480-E482 HydrophobicContact CB-CG 4.09Å; P480-E482 WeakPolarHBondContact CB-OE2 3.07Å; P480-E482 PolarHBondContact O-N 3.39Å; P480-D483 HydrophobicContact CB-CB 4.27Å; P480-D483 WeakPolarHBondContact O-CB 3.44Å; P480-D483 PolarHBondContact O-N 3.3Å; P480-R484 PolarHBondContact O-N 3.36Å
481	L	94.6	Very high	94.6	Very high	78 Å²	78	63 Å²	63	41%	0.408	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-69.5	-32.9	-172.3	-172.5	63.2	0	0	0	112.2	T286 Y327 D483 R484	T286-L481 HydrophobicContact CG2-CD2 3.88Å; Y327-L481 HydrophobicContact CE1-CD1 4.15Å; Y327-L481 WeakPolarHBondContact OH-CD1 3.48Å; L481-D483 PolarHBondContact O-N 2.97Å; L481-R484 PolarHBondContact O-N 3.16Å
482	E	95	Very high	94.6	Very high	162 Å²	162	61.5 Å²	61.5	76%	0.757	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-61.6	-21.1	170.6	58.4	-94.2	-129.5	0	0	113.6	P480	P480-E482 VanDerWaalsContact C-N 3.32Å; P480-E482 HydrophobicContact CB-CG 4.09Å; P480-E482 WeakPolarHBondContact CB-OE2 3.07Å; P480-E482 PolarHBondContact O-N 3.39Å
483	D	95.6	Very high	94.4	Very high	47 Å²	47	60.6 Å²	60.6	25%	0.251	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-100.9	-4.2	-176	-74.2	-1.8	0	0	0	113.1	K331 V479 P480 L481	K331-D483 WeakPolarHBondContact CE-OD1 3.47Å; K331-D483 WeakPolarHBondContact CE-OD2 3.32Å; K331-D483 IonicContact NZ-OD1 2.68Å; K331-D483 PolarHBondContact NZ-OD1 3.44Å; K331-D483 IonicContact NZ-OD2 3.31Å; K331-D483 PolarHBondContact NZ-OD2 3.06Å; V479-D483 HydrophobicContact CG1-CB 3.71Å; P480-D483 HydrophobicContact CB-CB 4.27Å; P480-D483 WeakPolarHBondContact O-CB 3.44Å; P480-D483 PolarHBondContact O-N 3.3Å; L481-D483 PolarHBondContact O-N 2.97Å
484	R	96.3	Very high	94.1	Very high	29 Å²	29	60.6 Å²	60.6	11%	0.109	31%	0.313	C	S	.	.	S	Bend	trans	-102.6	129.9	173	-53.3	-179.9	-142.3	167.3	-0.1	110.6	T286 Y327 I476 Q477 V479 P480 L481	T286-R484 PolarHBondContact O-NH1 2.85Å; Y327-R484 HydrophobicContact CD1-CB 3.35Å; Y327-R484 HydrophobicContact CD1-CG 4.44Å; Y327-R484 HydrophobicContact CE1-CB 3.88Å; Y327-R484 HydrophobicContact CG-CB 4Å; I476-R484 PolarHBondContact O-NE 3.23Å; Q477-R484 PolarHBondContact O-NH2 3.38Å; V479-R484 HydrophobicContact CB-CG 4.16Å; V479-R484 HydrophobicContact CG1-CG 4.02Å; V479-R484 PolarHBondContact O-NE 3Å; V479-R484 PolarHBondContact O-NH2 2.92Å; P480-R484 PolarHBondContact O-N 3.36Å; L481-R484 PolarHBondContact O-N 3.16Å
485	V	96.7	Very high	93.9	Very high	66 Å²	66	62.7 Å²	62.7	40%	0.4	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.8	174.5	-172.6	0	0	0	0	109.9	Y327 G328 P443 F445	Y327-V485 WeakPolarHBondContact CA-O 3.48Å; G328-V485 PolarHBondContact N-O 3Å; G328-V485 PolarHBondContact O-N 3.3Å; P443-V485 HydrophobicContact CB-CB 3.99Å; P443-V485 HydrophobicContact CB-CG2 3.93Å; P443-V485 HydrophobicContact CG-CB 3.7Å; P443-V485 HydrophobicContact CG-CG1 3.9Å; P443-V485 HydrophobicContact CG-CG2 3.84Å; F445-V485 WeakPolarHBondContact CZ-O 3.26Å
486	R	96.1	Very high	93.7	Very high	63 Å²	63	65.6 Å²	65.6	24%	0.238	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	135	177.7	-171.8	71.6	-177.5	79.4	0.4	110.5	D285 D291 S326 Y327	D285-R486 IonicContact OD1-CZ 2.72Å; D285-R486 VanDerWaalsContact OD1-CZ 3.23Å; D285-R486 IonicContact OD1-NE 3.56Å; D285-R486 PolarHBondContact OD1-NE 2.96Å; D285-R486 IonicContact OD1-NH2 3.88Å; D285-R486 PolarHBondContact OD1-NH2 3.01Å; D285-R486 IonicContact OD2-NE 2.64Å; D285-R486 PolarHBondContact OD2-NE 2.93Å; D291-R486 IonicContact OD2-CZ 2.89Å; D291-R486 IonicContact OD2-NH1 3.23Å; D291-R486 PolarHBondContact OD2-NH1 2.85Å; D291-R486 IonicContact OD2-NH2 2.82Å; D291-R486 PolarHBondContact OD2-NH2 2.84Å; S326-R486 VanDerWaalsContact CB-NH1 3.34Å; S326-R486 WeakPolarHBondContact O-CD 3.34Å; S326-R486 PolarHBondContact O-NH1 3.1Å; Y327-R486 HydrophobicContact CD1-CB 4.13Å; Y327-R486 HydrophobicContact CE1-CB 3.72Å; Y327-R486 HydrophobicContact CE1-CG 4.33Å; Y327-R486 VanDerWaalsContact CZ-CD 3.42Å
487	G	93.8	Very high	93.6	Very high	6 Å²	6	65.6 Å²	65.6	6%	0.062	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-65.4	169.2	172.5	0	0	0	0	0	113.5	S326 K489	S326-G487 PolarHBondContact O-N 3.39Å; G487-K489 PolarHBondContact O-N 2.89Å
488	P	91.3	Very high	93.6	Very high	51 Å²	51	64.7 Å²	64.7	33%	0.331	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-67.5	129.5	-177.1	28.7	-34	0	0	0	110.5	Y293 T366	Y293-P488 VanDerWaalsContact CD1-O 3.23Å; Y293-P488 WeakPolarHBondContact CD1-O 3.35Å; T366-P488 HydrophobicContact CG2-CG 3.71Å
489	K	89.8	Confident	93.6	Very high	125 Å²	125	59.9 Å²	59.9	54%	0.543	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-89.6	148.3	175.1	-65.8	-177.7	179	178.7	0	111.1	D285 G487	D285-K489 VanDerWaalsContact CG-NZ 3.33Å; D285-K489 WeakPolarHBondContact OD1-CE 3.4Å; D285-K489 IonicContact OD1-NZ 2.72Å; D285-K489 WeakPolarHBondContact OD2-CE 2.92Å; D285-K489 IonicContact OD2-NZ 3.02Å; D285-K489 PolarHBondContact OD2-NZ 2.76Å; G487-K489 PolarHBondContact O-N 2.89Å
490	G	88.2	Confident	93.7	Very high	23 Å²	23	59.4 Å²	59.4	24%	0.237	30%	0.301	C	S	.	.			trans	-78.6	174.8	168.8	0	0	0	0	0	113.2
491	P	91.3	Very high	93.7	Very high	29 Å²	29	56.3 Å²	56.3	19%	0.188	28%	0.281	C	S	.	.			trans	-62	137.2	172.9	-18.2	31.5	0	0	0	111.6	D496	P491-D496 HydrophobicContact CB-CB 3.94Å
492	E	87.9	Confident	93.8	Very high	173 Å²	173	52.6 Å²	52.6	81%	0.808	26%	0.261	S	S	*	.	S	Bend	trans	-70	-35.6	-177.3	-61.5	-173.6	162.1	0	0	112.6	K574	E492-K574 WeakPolarHBondContact O-CD 3.46Å; E492-K574 WeakPolarHBondContact O-CE 3.43Å; E492-K574 PolarHBondContact O-NZ 2.94Å
493	E	89.8	Confident	93.8	Very high	97 Å²	97	44.9 Å²	44.9	45%	0.453	23%	0.225	S	C	.	.	S	Bend	trans	-115.8	153.1	176.9	-74.8	-175.4	-119.8	0	0	112.7	K495 D496 C497	E493-K495 VanDerWaalsContact C-N 3.26Å; E493-K495 HydrophobicContact CB-CD 4.28Å; E493-K495 HydrophobicContact CB-CG 4.05Å; E493-K495 PolarHBondContact O-N 3.2Å; E493-K495 IonicContact OE1-NZ 3.39Å; E493-K495 PolarHBondContact OE1-NZ 3.07Å; E493-K495 VanDerWaalsContact OE2-CD 3.31Å; E493-K495 WeakPolarHBondContact OE2-CD 3.42Å; E493-K495 VanDerWaalsContact OE2-CE 3.24Å; E493-K495 WeakPolarHBondContact OE2-CE 3.31Å; E493-K495 IonicContact OE2-NZ 3.49Å; E493-K495 PolarHBondContact OE2-NZ 2.8Å; E493-D496 PolarHBondContact O-N 2.93Å; E493-C497 PolarHBondContact O-SG 3.29Å
494	K	90.3	Very high	93.7	Very high	33 Å²	33	42.7 Å²	42.7	14%	0.143	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-62.8	-33.1	-179.2	-158.6	-178.3	-169.2	-169.8	0	112.6	E277 D496 C497 A597 G598 F599	E277-K494 WeakPolarHBondContact OE1-CD 3.05Å; E277-K494 WeakPolarHBondContact OE1-CE 3.44Å; E277-K494 IonicContact OE1-NZ 3.65Å; E277-K494 PolarHBondContact OE1-NZ 3.36Å; K494-D496 PolarHBondContact O-N 2.82Å; K494-C497 VanDerWaalsContact O-CB 3.29Å; K494-C497 WeakPolarHBondContact O-CB 3.35Å; K494-C497 PolarHBondContact O-N 3.37Å; K494-C497 VanDerWaalsContact O-N 3.08Å; K494-A597 WeakPolarHBondContact CE-O 3.33Å; K494-A597 PolarHBondContact NZ-O 2.99Å; K494-G598 CarbonylContact C-O 3.57Å; K494-F599 HydrophobicContact CD-CD2 4.37Å; K494-F599 HydrophobicContact CD-CE2 4.25Å; K494-F599 HydrophobicContact CG-CD2 3.82Å; K494-F599 HydrophobicContact CG-CE2 3.76Å; K494-F599 HydrophobicContact CG-CZ 4.48Å
495	K	93.1	Very high	93.5	Very high	105 Å²	105	41.5 Å²	41.5	46%	0.457	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-61.9	-22.9	177.5	77.9	-168.7	177.6	-156.3	0	113.5	E493 G598 Q600	E493-K495 VanDerWaalsContact C-N 3.26Å; E493-K495 HydrophobicContact CB-CD 4.28Å; E493-K495 HydrophobicContact CB-CG 4.05Å; E493-K495 PolarHBondContact O-N 3.2Å; E493-K495 IonicContact OE1-NZ 3.39Å; E493-K495 PolarHBondContact OE1-NZ 3.07Å; E493-K495 VanDerWaalsContact OE2-CD 3.31Å; E493-K495 WeakPolarHBondContact OE2-CD 3.42Å; E493-K495 VanDerWaalsContact OE2-CE 3.24Å; E493-K495 WeakPolarHBondContact OE2-CE 3.31Å; E493-K495 IonicContact OE2-NZ 3.49Å; E493-K495 PolarHBondContact OE2-NZ 2.8Å; K495-G598 VanDerWaalsContact CA-O 3.22Å; K495-G598 WeakPolarHBondContact CA-O 3.4Å; K495-G598 PolarHBondContact N-O 2.94Å; K495-Q600 WeakPolarHBondContact O-CG 3.41Å; K495-Q600 PolarHBondContact O-NE2 2.84Å
496	D	94.1	Very high	93.2	Very high	78 Å²	78	39.4 Å²	39.4	42%	0.417	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-96.9	-2.5	-178.4	-54.6	-54.6	0	0	0	111.6	P491 E493 K494	P491-D496 HydrophobicContact CB-CB 3.94Å; E493-D496 PolarHBondContact O-N 2.93Å; K494-D496 PolarHBondContact O-N 2.82Å
497	C	95.9	Very high	92.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.			trans	-84.9	129.2	172.9	-57.4	0	0	0	0	111	E493 K494 K574 F599 Q600	E493-C497 PolarHBondContact O-SG 3.29Å; K494-C497 VanDerWaalsContact O-CB 3.29Å; K494-C497 WeakPolarHBondContact O-CB 3.35Å; K494-C497 PolarHBondContact O-N 3.37Å; K494-C497 VanDerWaalsContact O-N 3.08Å; C497-K574 VanDerWaalsContact SG-CA 3.52Å; C497-F599 HydrophobicContact CB-CD1 3.31Å; C497-F599 HydrophobicContact CB-CE1 3.47Å; C497-F599 VanDerWaalsContact CB-CE1 3.47Å; C497-F599 HydrophobicContact CB-CG 4.11Å; C497-F599 HydrophobicContact CB-CZ 4.37Å; C497-F599 WeakPolarHBondContact O-CA 3.33Å; C497-F599 WeakPolarHBondContact O-CB 3.21Å; C497-Q600 PolarHBondContact O-N 3.03Å
498	E	96.2	Very high	92.7	Very high	15 Å²	15	37.2 Å²	37.2	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.3	-178.8	-173.9	178	-153.9	0	0	111.6	V500 K524 Y525 N576 F577 K602	E498-V500 HydrophobicContact CG-CG2 4.16Å; E498-K524 VanDerWaalsContact OE2-CE 3.29Å; E498-K524 WeakPolarHBondContact OE2-CE 3.28Å; E498-K524 IonicContact OE2-NZ 2.78Å; E498-K524 PolarHBondContact OE2-NZ 2.88Å; E498-Y525 HydrophobicContact CG-CE1 4.32Å; E498-Y525 VanDerWaalsContact OE2-CE1 3.3Å; E498-Y525 WeakPolarHBondContact OE2-CE1 3.2Å; E498-Y525 VanDerWaalsContact OE2-CZ 3.3Å; E498-Y525 PolarHBondContact OE2-OH 3.13Å; E498-N576 HydrophobicContact CB-CB 4.31Å; E498-N576 PolarHBondContact N-OD1 3.44Å; E498-N576 CarbonylContact O-C 3.44Å; E498-N576 WeakPolarHBondContact O-CA 3.31Å; E498-N576 WeakPolarHBondContact O-CB 3.31Å; E498-F577 PolarHBondContact O-N 2.76Å; E498-K602 HydrophobicContact CG-CD 4.14Å; E498-K602 HydrophobicContact CG-CG 4.48Å; E498-K602 WeakPolarHBondContact OE1-CD 3.36Å; E498-K602 WeakPolarHBondContact OE1-CE 3.43Å; E498-K602 IonicContact OE1-NZ 2.74Å; E498-K602 PolarHBondContact OE1-NZ 3.47Å
499	V	97.3	Very high	92.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.8	169.8	62.8	0	0	0	0	110.8	F577 L579 M593 F596 F599 Q600 R601 K602	V499-F577 WeakPolarHBondContact CA-O 3.36Å; V499-F577 HydrophobicContact CG2-CB 4.14Å; V499-L579 HydrophobicContact CG2-CD1 4.22Å; V499-L579 HydrophobicContact CG2-CG 4.09Å; V499-M593 HydrophobicContact CG1-CE 3.94Å; V499-M593 HydrophobicContact CG1-SD 4.31Å; V499-M593 HydrophobicContact CG2-CE 3.79Å; V499-F596 HydrophobicContact CB-CD1 4.12Å; V499-F596 HydrophobicContact CB-CE1 4.48Å; V499-F596 HydrophobicContact CB-CG 4.25Å; V499-F596 HydrophobicContact CG1-CB 3.78Å; V499-F596 HydrophobicContact CG1-CD1 4.2Å; V499-F596 HydrophobicContact CG1-CD2 4.4Å; V499-F596 HydrophobicContact CG1-CG 3.89Å; V499-F596 HydrophobicContact CG2-CD1 4.13Å; V499-F596 HydrophobicContact CG2-CD2 4.13Å; V499-F596 HydrophobicContact CG2-CE1 4.12Å; V499-F596 HydrophobicContact CG2-CE2 4.11Å; V499-F596 HydrophobicContact CG2-CG 4.15Å; V499-F596 HydrophobicContact CG2-CZ 4.11Å; V499-F599 HydrophobicContact CB-CD1 4.49Å; V499-F599 HydrophobicContact CG1-CB 4.04Å; V499-Q600 PolarHBondContact N-O 2.62Å; V499-R601 HydrophobicContact CG1-CB 4.1Å; V499-R601 HydrophobicContact CG1-CG 3.64Å; V499-K602 PolarHBondContact O-N 2.63Å
500	V	97.4	Very high	93	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119	179.6	-172.5	0	0	0	0	109.4	E498 M502 W513 Y525 F577 I578 L579 V604	E498-V500 HydrophobicContact CG-CG2 4.16Å; V500-M502 HydrophobicContact CG1-SD 4.32Å; V500-W513 HydrophobicContact CG1-CH2 4.37Å; V500-W513 HydrophobicContact CG1-CZ3 4.31Å; V500-Y525 HydrophobicContact CG2-CE1 4.13Å; V500-F577 PolarHBondContact N-O 3.41Å; V500-I578 HydrophobicContact CB-CG1 4.2Å; V500-I578 HydrophobicContact CB-CG2 4.49Å; V500-I578 HydrophobicContact CG2-CG1 4.46Å; V500-I578 CarbonylContact O-C 3.57Å; V500-I578 WeakPolarHBondContact O-CA 3.39Å; V500-L579 PolarHBondContact O-N 2.91Å; V500-V604 HydrophobicContact CG1-CB 4.28Å; V500-V604 HydrophobicContact CG1-CG2 3.52Å
501	M	96.6	Very high	93.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.8	173.1	-175.9	176.5	-71.4	0	0	111.2	I503 L579 N583 Q589 K592 M593 K602 V604 F649	M501-I503 HydrophobicContact CG-CG1 4.07Å; M501-I503 HydrophobicContact SD-CD1 4.34Å; M501-I503 HydrophobicContact SD-CG1 4.26Å; M501-L579 HydrophobicContact CE-CD1 4.07Å; M501-N583 HydrophobicContact CG-CB 3.84Å; M501-N583 WeakPolarHBondContact CG-ND2 3.28Å; M501-N583 HydrophobicContact SD-CB 3.54Å; M501-N583 VanDerWaalsContact SD-CB 3.54Å; M501-Q589 HydrophobicContact SD-CB 4.06Å; M501-Q589 HydrophobicContact SD-CG 3.85Å; M501-K592 HydrophobicContact CE-CB 3.67Å; M501-K592 HydrophobicContact CE-CD 4.2Å; M501-M593 HydrophobicContact CB-SD 4.26Å; M501-M593 HydrophobicContact CE-CE 3.74Å; M501-M593 HydrophobicContact CE-CG 3.66Å; M501-M593 HydrophobicContact CE-SD 3.91Å; M501-K602 PolarHBondContact N-O 3.12Å; M501-V604 PolarHBondContact O-N 3.1Å; M501-F649 HydrophobicContact CB-CE1 4.05Å; M501-F649 HydrophobicContact SD-CE1 4.23Å; M501-F649 HydrophobicContact SD-CZ 3.81Å
502	M	96.7	Very high	93.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	131.1	171.2	-56	-51.4	-61.4	0	0	110.5	V500 K510 W513 V514 I578 L579 D580 N583 V604 V606	V500-M502 HydrophobicContact CG1-SD 4.32Å; M502-K510 HydrophobicContact CB-CB 4.35Å; M502-K510 HydrophobicContact CB-CD 3.95Å; M502-K510 HydrophobicContact CB-CG 4.43Å; M502-K510 HydrophobicContact CE-CB 4.41Å; M502-W513 HydrophobicContact CE-CB 4.21Å; M502-W513 HydrophobicContact CE-CD2 3.9Å; M502-W513 HydrophobicContact CE-CE3 3.38Å; M502-W513 HydrophobicContact CE-CG 4.25Å; M502-W513 HydrophobicContact CE-CZ3 4.1Å; M502-W513 HydrophobicContact SD-CE3 3.54Å; M502-W513 VanDerWaalsContact SD-CE3 3.54Å; M502-W513 HydrophobicContact SD-CZ3 3.67Å; M502-V514 HydrophobicContact CE-CG2 3.97Å; M502-V514 HydrophobicContact CG-CG2 3.52Å; M502-V514 HydrophobicContact SD-CG2 3.59Å; M502-V514 VanDerWaalsContact SD-CG2 3.59Å; M502-I578 HydrophobicContact CG-CG2 4.05Å; M502-I578 HydrophobicContact SD-CG2 4.2Å; M502-L579 PolarHBondContact N-O 3Å; M502-D580 HydrophobicContact CG-CB 4.39Å; M502-N583 WeakPolarHBondContact O-CB 3.49Å; M502-N583 PolarHBondContact O-ND2 3.02Å; M502-V604 HydrophobicContact CE-CB 4Å; M502-V604 HydrophobicContact CE-CG1 3.7Å; M502-V604 HydrophobicContact SD-CB 3.94Å; M502-V604 HydrophobicContact SD-CG1 4.25Å; M502-V606 HydrophobicContact CE-CG2 3.86Å
503	I	95.1	Very high	93.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.1	179.6	-61.8	175.6	0	0	0	108.7	M501 N583 Q589 A603 V604 V605 V606 F640 P643 F649	M501-I503 HydrophobicContact CG-CG1 4.07Å; M501-I503 HydrophobicContact SD-CD1 4.34Å; M501-I503 HydrophobicContact SD-CG1 4.26Å; I503-N583 HydrophobicContact CG1-CB 4.15Å; I503-Q589 HydrophobicContact CD1-CG 4.01Å; I503-A603 HydrophobicContact CD1-CB 3.93Å; I503-V604 PolarHBondContact N-O 2.95Å; I503-V605 HydrophobicContact CB-CG2 4.47Å; I503-V605 WeakPolarHBondContact O-CA 3.43Å; I503-V606 PolarHBondContact O-N 3.05Å; I503-F640 HydrophobicContact CG2-CE2 3.7Å; I503-F640 HydrophobicContact CG2-CZ 4.39Å; I503-P643 HydrophobicContact CD1-CB 3.83Å; I503-P643 HydrophobicContact CD1-CG 3.75Å; I503-F649 HydrophobicContact CD1-CZ 4.17Å
504	G	94.1	Very high	93.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	151.4	159.1	-174.3	0	0	0	0	0	111.2	K510 V584 V606	G504-K510 PolarHBondContact O-NZ 2.89Å; G504-V584 WeakPolarHBondContact O-CG1 3.41Å; G504-V606 WeakPolarHBondContact CA-O 3.44Å
505	L	92.4	Very high	94.1	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	16%	0.161	C	C	.	.			trans	-64.3	161.9	-179.4	-67.1	173.2	0	0	0	112.4	A508 K510 V584 Y613 M636 K637 F640 Y669	L505-A508 HydrophobicContact CB-CB 4.46Å; L505-A508 VanDerWaalsContact O-CB 3.28Å; L505-A508 WeakPolarHBondContact O-CB 3.41Å; L505-A508 PolarHBondContact O-N 2.81Å; L505-K510 PolarHBondContact O-NZ 3.35Å; L505-V584 HydrophobicContact CD2-CG1 4.37Å; L505-Y613 HydrophobicContact CB-CE2 3.63Å; L505-Y613 HydrophobicContact CD1-CD1 4.38Å; L505-Y613 HydrophobicContact CD1-CE1 3.86Å; L505-Y613 HydrophobicContact CD1-CE2 4.09Å; L505-M636 HydrophobicContact CD2-CB 3.83Å; L505-K637 HydrophobicContact CD1-CG 4.04Å; L505-F640 HydrophobicContact CD1-CD1 4.46Å; L505-F640 HydrophobicContact CD2-CD1 3.97Å; L505-F640 HydrophobicContact CG-CD1 3.86Å; L505-F640 HydrophobicContact CG-CE1 4.02Å; L505-Y669 HydrophobicContact CD1-CD2 4.47Å; L505-Y669 HydrophobicContact CD1-CE2 3.85Å
506	P	89.4	Confident	94.2	Very high	22 Å²	22	29.2 Å²	29.2	14%	0.143	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	144.1	166.5	-15.9	31.1	0	0	0	109.6	A508 T582 Y613 L628 M636	P506-A508 PolarHBondContact O-N 3.23Å; P506-T582 HydrophobicContact CG-CG2 3.98Å; P506-Y613 WeakPolarHBondContact O-CE2 3.47Å; P506-Y613 PolarHBondContact O-OH 2.96Å; P506-L628 HydrophobicContact CB-CD1 3.46Å; P506-L628 VanDerWaalsContact CB-CD1 3.46Å; P506-L628 HydrophobicContact CG-CD1 4.18Å; P506-M636 VanDerWaalsContact CD-SD 3.52Å; P506-M636 HydrophobicContact CG-CE 4.07Å; P506-M636 HydrophobicContact CG-SD 3.34Å; P506-M636 WeakPolarHBondContact CG-SD 3.4Å
507	G	88.1	Confident	94.3	Very high	22 Å²	22	27.1 Å²	27.1	23%	0.227	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-15.9	-175.7	0	0	0	0	0	115.4	G509	G507-G509 PolarHBondContact O-N 3.46Å
508	A	92.6	Very high	94.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	16%	0.163	C	C	.	.	S	Bend	trans	-64.6	-16.1	-174.1	0	0	0	0	0	115.9	L505 P506 V606 P608 Y613 R616	L505-A508 HydrophobicContact CB-CB 4.46Å; L505-A508 VanDerWaalsContact O-CB 3.28Å; L505-A508 WeakPolarHBondContact O-CB 3.41Å; L505-A508 PolarHBondContact O-N 2.81Å; P506-A508 PolarHBondContact O-N 3.23Å; A508-V606 HydrophobicContact CB-CG1 4.35Å; A508-V606 WeakPolarHBondContact O-CG1 3.15Å; A508-P608 HydrophobicContact CB-CG 4.22Å; A508-Y613 HydrophobicContact CB-CD2 4.13Å; A508-Y613 HydrophobicContact CB-CE2 4.12Å; A508-R616 PolarHBondContact O-NH1 3Å
509	G	91.9	Very high	94	Very high	18 Å²	18	31.2 Å²	31.2	19%	0.186	19%	0.189	C	C	.	.	S	Bend	trans	109.5	10.3	-178.2	0	0	0	0	0	115.7	G507 T511 T512 W513	G507-G509 PolarHBondContact O-N 3.46Å; G509-T511 PolarHBondContact O-N 3.29Å; G509-T512 WeakPolarHBondContact O-CB 3.5Å; G509-T512 PolarHBondContact O-N 3.24Å; G509-W513 PolarHBondContact O-N 3.37Å
510	K	93.7	Very high	93.8	Very high	13 Å²	13	36.8 Å²	36.8	6%	0.057	22%	0.216	C	C	.	.	H	α-helix	trans	-50.5	-57.9	-179.7	-64.1	-169.3	-61.2	-83.1	0	113	M502 G504 L505 T512 W513 V514 D580 Q581 T582 V606	M502-K510 HydrophobicContact CB-CB 4.35Å; M502-K510 HydrophobicContact CB-CD 3.95Å; M502-K510 HydrophobicContact CB-CG 4.43Å; M502-K510 HydrophobicContact CE-CB 4.41Å; G504-K510 PolarHBondContact O-NZ 2.89Å; L505-K510 PolarHBondContact O-NZ 3.35Å; K510-T512 VanDerWaalsContact C-N 3.26Å; K510-T512 PolarHBondContact O-N 2.81Å; K510-W513 WeakPolarHBondContact O-CB 3.35Å; K510-W513 PolarHBondContact O-N 3.06Å; K510-V514 WeakPolarHBondContact O-CG2 3.23Å; K510-V514 PolarHBondContact O-N 3.48Å; K510-D580 WeakPolarHBondContact CB-OD1 3.25Å; K510-Q581 VanDerWaalsContact CE-O 3.28Å; K510-Q581 WeakPolarHBondContact CE-O 3.4Å; K510-T582 PolarHBondContact NZ-OG1 3.25Å; K510-V606 HydrophobicContact CG-CB 4.24Å; K510-V606 HydrophobicContact CG-CG2 4.47Å
511	T	92.3	Very high	93.6	Very high	58 Å²	58	38.9 Å²	38.9	36%	0.356	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-37.2	-179.7	-45.1	0	0	0	0	111.8	G509 W513 V514 T515 D580	G509-T511 PolarHBondContact O-N 3.29Å; T511-W513 PolarHBondContact O-N 3.05Å; T511-V514 PolarHBondContact O-N 3.33Å; T511-V514 VanDerWaalsContact O-N 3.13Å; T511-T515 PolarHBondContact O-N 3Å; T511-T515 PolarHBondContact O-OG1 2.96Å; T511-T515 VanDerWaalsContact O-OG1 3.11Å; T511-D580 WeakPolarHBondContact CA-OD2 3.29Å; T511-D580 VanDerWaalsContact CB-OD2 3.24Å; T511-D580 WeakPolarHBondContact CB-OD2 3.28Å; T511-D580 WeakPolarHBondContact CG2-OD2 3.32Å; T511-D580 PolarHBondContact OG1-OD2 3.36Å
512	T	93.4	Very high	93.2	Very high	108 Å²	108	44.1 Å²	44.1	66%	0.663	26%	0.26	S	S	*	.	H	α-helix	trans	-60.6	-42.2	174.9	-42.8	0	0	0	0	112.1	G509 K510 K516	G509-T512 WeakPolarHBondContact O-CB 3.5Å; G509-T512 PolarHBondContact O-N 3.24Å; K510-T512 VanDerWaalsContact C-N 3.26Å; K510-T512 PolarHBondContact O-N 2.81Å; T512-K516 PolarHBondContact O-N 3.3Å; T512-K516 VanDerWaalsContact O-N 3.16Å
513	W	95.6	Very high	92.6	Very high	54 Å²	54	47.7 Å²	47.7	21%	0.205	30%	0.297	C	S	.	.	H	α-helix	trans	-64.6	-42.7	172.3	-175.8	93.3	0	0	0	111.5	V500 M502 G509 K510 T511 K516 H517 V604 V606	V500-W513 HydrophobicContact CG1-CH2 4.37Å; V500-W513 HydrophobicContact CG1-CZ3 4.31Å; M502-W513 HydrophobicContact CE-CB 4.21Å; M502-W513 HydrophobicContact CE-CD2 3.9Å; M502-W513 HydrophobicContact CE-CE3 3.38Å; M502-W513 HydrophobicContact CE-CG 4.25Å; M502-W513 HydrophobicContact CE-CZ3 4.1Å; M502-W513 HydrophobicContact SD-CE3 3.54Å; M502-W513 VanDerWaalsContact SD-CE3 3.54Å; M502-W513 HydrophobicContact SD-CZ3 3.67Å; G509-W513 PolarHBondContact O-N 3.37Å; K510-W513 WeakPolarHBondContact O-CB 3.35Å; K510-W513 PolarHBondContact O-N 3.06Å; T511-W513 PolarHBondContact O-N 3.05Å; W513-K516 PolarHBondContact O-N 3.12Å; W513-H517 HydrophobicContact CD2-CB 4.32Å; W513-H517 HydrophobicContact CE3-CB 4.03Å; W513-H517 HydrophobicContact CH2-CB 3.69Å; W513-H517 AromaticContact CH2-CD2 3.75Å; W513-H517 AromaticContact CH2-CE1 3.92Å; W513-H517 AromaticContact CH2-CG 3.34Å; W513-H517 AromaticContact CH2-ND1 3.47Å; W513-H517 WeakPolarHBondContact CH2-ND1 3.36Å; W513-H517 HydrophobicContact CZ2-CB 4Å; W513-H517 AromaticContact CZ2-CG 3.8Å; W513-H517 AromaticContact CZ2-ND1 3.55Å; W513-H517 HydrophobicContact CZ3-CB 3.72Å; W513-H517 AromaticContact CZ3-CG 3.79Å; W513-H517 WeakPolarHBondContact O-CB 3.49Å; W513-H517 PolarHBondContact O-N 2.94Å; W513-V604 HydrophobicContact CD2-CG1 3.93Å; W513-V604 HydrophobicContact CE3-CG1 4.17Å; W513-V604 HydrophobicContact CH2-CB 4.49Å; W513-V604 HydrophobicContact CH2-CG1 4.27Å; W513-V604 HydrophobicContact CH2-CG2 3.78Å; W513-V604 HydrophobicContact CZ2-CG1 4.01Å; W513-V604 HydrophobicContact CZ2-CG2 4.01Å; W513-V604 HydrophobicContact CZ3-CG1 4.34Å; W513-V604 HydrophobicContact CZ3-CG2 4.21Å; W513-V606 HydrophobicContact CB-CG2 4.42Å
514	V	96.1	Very high	92.4	Very high	2 Å²	2	51 Å²	51	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-45.5	179.5	174.6	0	0	0	0	111.9	M502 K510 T511 K516 H517 A518 I527 I578 D580	M502-V514 HydrophobicContact CE-CG2 3.97Å; M502-V514 HydrophobicContact CG-CG2 3.52Å; M502-V514 HydrophobicContact SD-CG2 3.59Å; M502-V514 VanDerWaalsContact SD-CG2 3.59Å; K510-V514 WeakPolarHBondContact O-CG2 3.23Å; K510-V514 PolarHBondContact O-N 3.48Å; T511-V514 PolarHBondContact O-N 3.33Å; T511-V514 VanDerWaalsContact O-N 3.13Å; V514-K516 VanDerWaalsContact C-N 3.34Å; V514-K516 PolarHBondContact O-N 3.37Å; V514-H517 PolarHBondContact O-N 3.12Å; V514-A518 VanDerWaalsContact O-CB 3.25Å; V514-A518 WeakPolarHBondContact O-CB 3.49Å; V514-A518 PolarHBondContact O-N 3.01Å; V514-I527 HydrophobicContact CG1-CD1 3.8Å; V514-I527 HydrophobicContact CG1-CG1 3.92Å; V514-I527 HydrophobicContact CG1-CG2 3.95Å; V514-I578 HydrophobicContact CB-CG2 4.43Å; V514-I578 HydrophobicContact CG1-CB 4.45Å; V514-I578 HydrophobicContact CG1-CD1 4.14Å; V514-I578 HydrophobicContact CG1-CG2 3.87Å; V514-I578 HydrophobicContact CG2-CG2 3.68Å; V514-D580 HydrophobicContact CG2-CB 4.16Å
515	T	93.9	Very high	92.3	Very high	90 Å²	90	52.2 Å²	52.2	55%	0.552	32%	0.316	S	S	*	.	H	α-helix	trans	-59.8	-44.6	175.8	-58.5	0	0	0	0	111	T511 A518 A519	T511-T515 PolarHBondContact O-N 3Å; T511-T515 PolarHBondContact O-OG1 2.96Å; T511-T515 VanDerWaalsContact O-OG1 3.11Å; T515-A518 PolarHBondContact O-N 3.46Å; T515-A519 WeakPolarHBondContact O-CB 3.47Å; T515-A519 PolarHBondContact O-N 3.43Å
516	K	95.6	Very high	92.4	Very high	126 Å²	126	53.8 Å²	53.8	55%	0.548	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-51.6	175.9	177.4	175.3	171.2	175.8	0	111.7	T512 W513 V514 A518 A519 E520	T512-K516 PolarHBondContact O-N 3.3Å; T512-K516 VanDerWaalsContact O-N 3.16Å; W513-K516 PolarHBondContact O-N 3.12Å; V514-K516 VanDerWaalsContact C-N 3.34Å; V514-K516 PolarHBondContact O-N 3.37Å; K516-A518 VanDerWaalsContact C-N 3.26Å; K516-A518 PolarHBondContact O-N 2.98Å; K516-A519 PolarHBondContact O-N 3.44Å; K516-A519 VanDerWaalsContact O-N 3.13Å; K516-E520 WeakPolarHBondContact CE-OE1 3.26Å; K516-E520 HydrophobicContact CG-CG 4.47Å; K516-E520 IonicContact NZ-OE1 2.78Å; K516-E520 PolarHBondContact NZ-OE1 2.87Å; K516-E520 WeakPolarHBondContact O-CG 3.44Å; K516-E520 PolarHBondContact O-N 2.73Å
517	H	95.3	Very high	92.6	Very high	34 Å²	34	55 Å²	55	16%	0.157	33%	0.33	C	S	.	.	H	α-helix	trans	-63.3	-32.5	-178.2	-170.7	81.2	0	0	0	112.4	W513 V514 N521 Y525	W513-H517 HydrophobicContact CD2-CB 4.32Å; W513-H517 HydrophobicContact CE3-CB 4.03Å; W513-H517 HydrophobicContact CH2-CB 3.69Å; W513-H517 AromaticContact CH2-CD2 3.75Å; W513-H517 AromaticContact CH2-CE1 3.92Å; W513-H517 AromaticContact CH2-CG 3.34Å; W513-H517 AromaticContact CH2-ND1 3.47Å; W513-H517 WeakPolarHBondContact CH2-ND1 3.36Å; W513-H517 HydrophobicContact CZ2-CB 4Å; W513-H517 AromaticContact CZ2-CG 3.8Å; W513-H517 AromaticContact CZ2-ND1 3.55Å; W513-H517 HydrophobicContact CZ3-CB 3.72Å; W513-H517 AromaticContact CZ3-CG 3.79Å; W513-H517 WeakPolarHBondContact O-CB 3.49Å; W513-H517 PolarHBondContact O-N 2.94Å; V514-H517 PolarHBondContact O-N 3.12Å; H517-N521 WeakPolarHBondContact O-CB 3.21Å; H517-N521 PolarHBondContact O-N 3.32Å; H517-N521 VanDerWaalsContact O-N 3.11Å; H517-N521 PolarHBondContact O-ND2 2.95Å; H517-Y525 AromaticContact CD2-CE2 3.41Å; H517-Y525 VanDerWaalsContact CD2-CE2 3.41Å; H517-Y525 WeakPolarHBondContact CD2-CE2 3.26Å; H517-Y525 AromaticContact CD2-CZ 3.88Å; H517-Y525 AromaticContact NE2-CE2 3.19Å; H517-Y525 WeakPolarHBondContact NE2-CE2 3.24Å; H517-Y525 AromaticContact NE2-CZ 3.31Å; H517-Y525 VanDerWaalsContact NE2-CZ 3.31Å; H517-Y525 PolarHBondContact NE2-OH 3.25Å
518	A	93.3	Very high	92.9	Very high	25 Å²	25	54.5 Å²	54.5	21%	0.207	32%	0.322	C	S	.	.	H	α-helix	trans	-72.2	-38.1	173.4	0	0	0	0	0	112.8	V514 T515 K516 E520 N521 I527	V514-A518 VanDerWaalsContact O-CB 3.25Å; V514-A518 WeakPolarHBondContact O-CB 3.49Å; V514-A518 PolarHBondContact O-N 3.01Å; T515-A518 PolarHBondContact O-N 3.46Å; K516-A518 VanDerWaalsContact C-N 3.26Å; K516-A518 PolarHBondContact O-N 2.98Å; A518-E520 VanDerWaalsContact C-N 3.34Å; A518-N521 CarbonylContact O-C 3.58Å; A518-N521 PolarHBondContact O-N 2.87Å; A518-N521 VanDerWaalsContact O-N 3.17Å; A518-I527 HydrophobicContact CB-CD1 4.05Å
519	A	92.5	Very high	92.8	Very high	75 Å²	75	54.5 Å²	54.5	62%	0.62	32%	0.322	S	S	*	.	H	α-helix	trans	-67.6	-34.1	172.9	0	0	0	0	0	112.3	T515 K516 N521 P522	T515-A519 WeakPolarHBondContact O-CB 3.47Å; T515-A519 PolarHBondContact O-N 3.43Å; K516-A519 PolarHBondContact O-N 3.44Å; K516-A519 VanDerWaalsContact O-N 3.13Å; A519-N521 VanDerWaalsContact C-N 3.26Å; A519-N521 PolarHBondContact O-N 3.25Å; A519-P522 WeakPolarHBondContact O-CD 3.49Å; A519-P522 WeakPolarHBondContact O-CG 3.3Å
520	E	94.4	Very high	92.5	Very high	118 Å²	118	55.7 Å²	55.7	55%	0.551	33%	0.326	S	S	*	.	S	Bend	trans	-74	-14.3	171.8	-69.9	174.3	157.8	0	0	113	K516 A518	K516-E520 WeakPolarHBondContact CE-OE1 3.26Å; K516-E520 HydrophobicContact CG-CG 4.47Å; K516-E520 IonicContact NZ-OE1 2.78Å; K516-E520 PolarHBondContact NZ-OE1 2.87Å; K516-E520 WeakPolarHBondContact O-CG 3.44Å; K516-E520 PolarHBondContact O-N 2.73Å; A518-E520 VanDerWaalsContact C-N 3.34Å
521	N	91.7	Very high	91.9	Very high	47 Å²	47	59.2 Å²	59.2	25%	0.251	35%	0.345	S	S	.	.	S	Bend	trans	-135	62.8	178.6	-63.9	-104.7	0	0	0	112.2	H517 A518 A519 G523 K524 Y525	H517-N521 WeakPolarHBondContact O-CB 3.21Å; H517-N521 PolarHBondContact O-N 3.32Å; H517-N521 VanDerWaalsContact O-N 3.11Å; H517-N521 PolarHBondContact O-ND2 2.95Å; A518-N521 CarbonylContact O-C 3.58Å; A518-N521 PolarHBondContact O-N 2.87Å; A518-N521 VanDerWaalsContact O-N 3.17Å; A519-N521 VanDerWaalsContact C-N 3.26Å; A519-N521 PolarHBondContact O-N 3.25Å; N521-G523 PolarHBondContact O-N 3.37Å; N521-K524 HydrophobicContact CB-CB 4.01Å; N521-K524 HydrophobicContact CB-CD 4.2Å; N521-K524 WeakPolarHBondContact O-CB 3.4Å; N521-K524 PolarHBondContact O-N 3.3Å; N521-K524 VanDerWaalsContact O-N 3.17Å; N521-Y525 HydrophobicContact CB-CD2 3.96Å; N521-Y525 HydrophobicContact CB-CE2 3.72Å
522	P	88.4	Confident	91.6	Very high	109 Å²	109	58.1 Å²	58.1	71%	0.708	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	133.7	-173.1	-26.3	36	0	0	0	113.2	A519 K524	A519-P522 WeakPolarHBondContact O-CD 3.49Å; A519-P522 WeakPolarHBondContact O-CG 3.3Å; P522-K524 PolarHBondContact O-N 3.28Å
523	G	84.5	Confident	91.3	Very high	75 Å²	75	53.2 Å²	53.2	77%	0.773	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	-6.7	178.8	0	0	0	0	0	116.4	N521	N521-G523 PolarHBondContact O-N 3.37Å
524	K	90.1	Very high	90.7	Very high	70 Å²	70	51.5 Å²	51.5	30%	0.304	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-40.2	-176.5	-177.4	179.4	168.5	-165.9	0	113.3	E498 N521 P522 N576	E498-K524 VanDerWaalsContact OE2-CE 3.29Å; E498-K524 WeakPolarHBondContact OE2-CE 3.28Å; E498-K524 IonicContact OE2-NZ 2.78Å; E498-K524 PolarHBondContact OE2-NZ 2.88Å; N521-K524 HydrophobicContact CB-CB 4.01Å; N521-K524 HydrophobicContact CB-CD 4.2Å; N521-K524 WeakPolarHBondContact O-CB 3.4Å; N521-K524 PolarHBondContact O-N 3.3Å; N521-K524 VanDerWaalsContact O-N 3.17Å; P522-K524 PolarHBondContact O-N 3.28Å; K524-N576 WeakPolarHBondContact O-CB 3.48Å; K524-N576 PolarHBondContact O-ND2 2.93Å
525	Y	93.1	Very high	90	Very high	25 Å²	25	55.7 Å²	55.7	10%	0.098	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.4	-166.1	-65.1	-77.5	0	0	0	114	E498 V500 H517 N521 N576 I578	E498-Y525 HydrophobicContact CG-CE1 4.32Å; E498-Y525 VanDerWaalsContact OE2-CE1 3.3Å; E498-Y525 WeakPolarHBondContact OE2-CE1 3.2Å; E498-Y525 VanDerWaalsContact OE2-CZ 3.3Å; E498-Y525 PolarHBondContact OE2-OH 3.13Å; V500-Y525 HydrophobicContact CG2-CE1 4.13Å; H517-Y525 AromaticContact CD2-CE2 3.41Å; H517-Y525 VanDerWaalsContact CD2-CE2 3.41Å; H517-Y525 WeakPolarHBondContact CD2-CE2 3.26Å; H517-Y525 AromaticContact CD2-CZ 3.88Å; H517-Y525 AromaticContact NE2-CE2 3.19Å; H517-Y525 WeakPolarHBondContact NE2-CE2 3.24Å; H517-Y525 AromaticContact NE2-CZ 3.31Å; H517-Y525 VanDerWaalsContact NE2-CZ 3.31Å; H517-Y525 PolarHBondContact NE2-OH 3.25Å; N521-Y525 HydrophobicContact CB-CD2 3.96Å; N521-Y525 HydrophobicContact CB-CE2 3.72Å; Y525-N576 HydrophobicContact CD1-CB 3.61Å; Y525-N576 HydrophobicContact CE1-CB 3.97Å; Y525-N576 HydrophobicContact CG-CB 4.47Å; Y525-I578 HydrophobicContact CD1-CD1 4.04Å; Y525-I578 HydrophobicContact CD1-CG1 3.76Å; Y525-I578 HydrophobicContact CD2-CD1 4Å; Y525-I578 HydrophobicContact CE1-CG1 4.42Å; Y525-I578 HydrophobicContact CG-CD1 3.67Å; Y525-I578 HydrophobicContact CG-CG1 3.88Å
526	N	93.8	Very high	89.7	Confident	38 Å²	38	53.4 Å²	53.4	20%	0.203	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	107.7	170.6	-65.8	-117.3	0	0	0	108	R575 N576 F577 I578	N526-R575 WeakPolarHBondContact OD1-CD 3.46Å; N526-R575 PolarHBondContact OD1-NH1 3.49Å; N526-N576 WeakPolarHBondContact CB-O 3.5Å; N526-N576 PolarHBondContact N-O 3.22Å; N526-N576 PolarHBondContact ND2-O 3.24Å; N526-F577 HydrophobicContact CB-CD1 3.55Å; N526-F577 HydrophobicContact CB-CE1 3.69Å; N526-F577 WeakPolarHBondContact O-CA 3.44Å; N526-I578 PolarHBondContact O-N 3.18Å
527	I	94.4	Very high	89	Confident	47 Å²	47	47.4 Å²	47.4	24%	0.241	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.8	-178.7	-57.5	165.8	0	0	0	110.1	V514 A518	V514-I527 HydrophobicContact CG1-CD1 3.8Å; V514-I527 HydrophobicContact CG1-CG1 3.92Å; V514-I527 HydrophobicContact CG1-CG2 3.95Å; A518-I527 HydrophobicContact CB-CD1 4.05Å
528	L	93.8	Very high	88.2	Confident	11 Å²	11	47.7 Å²	47.7	6%	0.058	28%	0.283	C	S	.	.			trans	-121.6	74.3	179.2	-58.9	-179.3	0	0	0	109.4	L297 L563 F566 A570 F577 I578 L579 D580	L297-L528 HydrophobicContact CD1-CD2 3.81Å; L528-L563 HydrophobicContact CB-CD1 4.01Å; L528-F566 HydrophobicContact CD2-CB 4.37Å; L528-A570 HydrophobicContact CD1-CB 3.66Å; L528-F577 HydrophobicContact CD1-CB 4.45Å; L528-F577 HydrophobicContact CD1-CD1 3.77Å; L528-F577 HydrophobicContact CD1-CE1 4.45Å; L528-F577 HydrophobicContact CD1-CG 4.34Å; L528-F577 HydrophobicContact CG-CD1 4.23Å; L528-I578 PolarHBondContact N-O 3.18Å; L528-L579 HydrophobicContact CB-CD2 3.99Å; L528-L579 HydrophobicContact CD1-CD2 3.75Å; L528-L579 HydrophobicContact CG-CD2 4.39Å; L528-D580 PolarHBondContact O-N 3.34Å
529	G	90.9	Very high	87.4	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.01	27%	0.274	C	S	.	.			trans	-116.2	166.9	171.6	0	0	0	0	0	112	N531 T532 I533 D580	G529-N531 VanDerWaalsContact C-N 3.29Å; G529-N531 PolarHBondContact O-N 3.25Å; G529-T532 PolarHBondContact O-N 3.1Å; G529-I533 PolarHBondContact O-N 3.29Å; G529-D580 VanDerWaalsContact CA-O 3.3Å; G529-D580 WeakPolarHBondContact CA-O 3.49Å
530	T	84.8	Confident	86.4	Confident	44 Å²	44	44.7 Å²	44.7	27%	0.27	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-40.4	177.1	-51.4	0	0	0	0	111	I533 M534 A559 P560	T530-I533 WeakPolarHBondContact O-CB 3.45Å; T530-I533 PolarHBondContact O-N 2.71Å; T530-I533 VanDerWaalsContact O-N 3.14Å; T530-M534 WeakPolarHBondContact O-CG 3.34Å; T530-M534 PolarHBondContact O-N 3.13Å; T530-A559 HydrophobicContact CG2-CB 4.23Å; T530-P560 HydrophobicContact CG2-CG 3.97Å
531	N	83	Confident	85.1	Confident	86 Å²	86	41.2 Å²	41.2	46%	0.46	25%	0.254	S	S	.	.	H	α-helix	trans	-59.8	-49.4	178.5	-62.5	21	0	0	0	110.9	G529 I533 M534 D535	G529-N531 VanDerWaalsContact C-N 3.29Å; G529-N531 PolarHBondContact O-N 3.25Å; N531-I533 PolarHBondContact O-N 3.2Å; N531-M534 CarbonylContact O-C 3.56Å; N531-M534 WeakPolarHBondContact O-CA 3.46Å; N531-M534 VanDerWaalsContact O-CB 3.26Å; N531-M534 WeakPolarHBondContact O-CB 3.23Å; N531-M534 PolarHBondContact O-N 2.95Å; N531-D535 PolarHBondContact O-N 2.92Å; N531-D535 VanDerWaalsContact O-OD2 3.06Å
532	T	86.1	Confident	84.3	Confident	36 Å²	36	39.2 Å²	39.2	22%	0.221	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-18.4	177.9	-35.8	0	0	0	0	114.1	G529 D535 K536	G529-T532 PolarHBondContact O-N 3.1Å; T532-D535 WeakPolarHBondContact CA-OD2 3.24Å; T532-K536 WeakPolarHBondContact O-CG 3.28Å
533	I	86.4	Confident	83.7	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-87.6	-39.1	170.5	-66.1	170.7	0	0	0	110.6	L319 G529 T530 N531 D535 K536 M537 A559 C562 L563 F566	L319-I533 HydrophobicContact CD2-CG2 4.01Å; G529-I533 PolarHBondContact O-N 3.29Å; T530-I533 WeakPolarHBondContact O-CB 3.45Å; T530-I533 PolarHBondContact O-N 2.71Å; T530-I533 VanDerWaalsContact O-N 3.14Å; N531-I533 PolarHBondContact O-N 3.2Å; I533-D535 VanDerWaalsContact C-N 3.33Å; I533-D535 PolarHBondContact O-N 3.3Å; I533-K536 PolarHBondContact O-N 2.99Å; I533-M537 HydrophobicContact CG2-CE 3.89Å; I533-M537 HydrophobicContact CG2-SD 4.49Å; I533-M537 WeakPolarHBondContact O-CG 3.23Å; I533-M537 PolarHBondContact O-N 3.29Å; I533-A559 HydrophobicContact CB-CB 4.24Å; I533-A559 HydrophobicContact CG2-CB 3.64Å; I533-C562 HydrophobicContact CD1-CB 4.36Å; I533-C562 HydrophobicContact CG2-CB 4.14Å; I533-L563 HydrophobicContact CD1-CB 3.54Å; I533-L563 HydrophobicContact CD1-CD1 3.77Å; I533-L563 HydrophobicContact CD1-CD2 4.21Å; I533-L563 HydrophobicContact CD1-CG 4.01Å; I533-F566 HydrophobicContact CD1-CD2 3.49Å; I533-F566 VanDerWaalsContact CD1-CD2 3.49Å; I533-F566 HydrophobicContact CD1-CE2 3.85Å; I533-F566 HydrophobicContact CD1-CG 4.43Å; I533-F566 HydrophobicContact CG1-CD2 3.92Å; I533-F566 HydrophobicContact CG1-CE2 3.8Å; I533-F566 HydrophobicContact CG2-CE2 4.42Å
534	M	81.7	Confident	83.1	Confident	18 Å²	18	43.2 Å²	43.2	9%	0.089	23%	0.228	C	C	.	.	H	α-helix	trans	-56.5	-47	172.2	-67.6	-54.4	-39.8	0	0	111.9	T530 N531 K536 M537 M538 L555 L556 A559	T530-M534 WeakPolarHBondContact O-CG 3.34Å; T530-M534 PolarHBondContact O-N 3.13Å; N531-M534 CarbonylContact O-C 3.56Å; N531-M534 WeakPolarHBondContact O-CA 3.46Å; N531-M534 VanDerWaalsContact O-CB 3.26Å; N531-M534 WeakPolarHBondContact O-CB 3.23Å; N531-M534 PolarHBondContact O-N 2.95Å; M534-K536 PolarHBondContact O-N 3.46Å; M534-M537 CarbonylContact O-C 3.12Å; M534-M537 WeakPolarHBondContact O-CA 3.39Å; M534-M537 PolarHBondContact O-N 3.01Å; M534-M538 HydrophobicContact CE-CE 3.42Å; M534-M538 VanDerWaalsContact CE-CE 3.42Å; M534-M538 HydrophobicContact CE-CG 4.17Å; M534-M538 HydrophobicContact CE-SD 3.69Å; M534-M538 WeakPolarHBondContact O-CB 3.26Å; M534-M538 WeakPolarHBondContact O-CG 3.37Å; M534-M538 PolarHBondContact O-N 2.63Å; M534-L555 HydrophobicContact CE-CD2 3.78Å; M534-L556 HydrophobicContact CE-CB 4.38Å; M534-L556 HydrophobicContact CE-CD2 3.43Å; M534-L556 VanDerWaalsContact CE-CD2 3.43Å; M534-L556 HydrophobicContact CE-CG 3.74Å; M534-L556 HydrophobicContact CG-CD2 4.45Å; M534-L556 HydrophobicContact SD-CD2 3.8Å; M534-L556 HydrophobicContact SD-CG 4.43Å; M534-A559 HydrophobicContact CG-CB 4.15Å; M534-A559 HydrophobicContact SD-CB 3.28Å; M534-A559 WeakPolarHBondContact SD-CB 2.8Å
535	D	83	Confident	82.2	Confident	90 Å²	90	42.4 Å²	42.4	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-56.6	-43.1	-179.1	-50.2	-32.6	0	0	0	110.3	N531 T532 I533 M537 M538	N531-D535 PolarHBondContact O-N 2.92Å; N531-D535 VanDerWaalsContact O-OD2 3.06Å; T532-D535 WeakPolarHBondContact CA-OD2 3.24Å; I533-D535 VanDerWaalsContact C-N 3.33Å; I533-D535 PolarHBondContact O-N 3.3Å; D535-M537 VanDerWaalsContact C-N 3.25Å; D535-M537 PolarHBondContact O-N 3.14Å; D535-M538 PolarHBondContact O-N 2.83Å; D535-M538 VanDerWaalsContact O-N 3.13Å
536	K	86.3	Confident	81.2	Confident	42 Å²	42	41.5 Å²	41.5	18%	0.183	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.1	176.9	-62.7	-179.4	-172.7	-174.3	0	114.9	D296 L319 W320 L371 T532 I533 M534	D296-K536 IonicContact OD1-NZ 2.71Å; D296-K536 PolarHBondContact OD1-NZ 2.97Å; L319-K536 WeakPolarHBondContact CA-O 3.3Å; L319-K536 HydrophobicContact CD2-CB 3.69Å; W320-K536 PolarHBondContact N-O 3.35Å; W320-K536 VanDerWaalsContact N-O 3.09Å; L371-K536 HydrophobicContact CD1-CG 4.5Å; L371-K536 HydrophobicContact CD2-CG 4.28Å; T532-K536 WeakPolarHBondContact O-CG 3.28Å; I533-K536 PolarHBondContact O-N 2.99Å; M534-K536 PolarHBondContact O-N 3.46Å
537	M	82.4	Confident	80.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-3.2	168.3	-59.1	-178.2	169.4	0	0	113.1	F318 L319 I533 M534 D535 F542 L555 A559	F318-M537 HydrophobicContact CB-CE 4.23Å; F318-M537 HydrophobicContact CB-CG 4.08Å; F318-M537 HydrophobicContact CB-SD 4.16Å; F318-M537 VanDerWaalsContact O-CA 3.28Å; F318-M537 WeakPolarHBondContact O-CA 3.49Å; F318-M537 WeakPolarHBondContact O-CB 3.42Å; F318-M537 WeakPolarHBondContact O-CG 3.42Å; L319-M537 HydrophobicContact CD1-CE 4.24Å; L319-M537 HydrophobicContact CD2-CB 4.45Å; L319-M537 HydrophobicContact CD2-CE 3.93Å; L319-M537 HydrophobicContact CD2-CG 3.35Å; L319-M537 HydrophobicContact CD2-SD 4.49Å; L319-M537 HydrophobicContact CG-CE 3.88Å; L319-M537 HydrophobicContact CG-CG 3.96Å; I533-M537 HydrophobicContact CG2-CE 3.89Å; I533-M537 HydrophobicContact CG2-SD 4.49Å; I533-M537 WeakPolarHBondContact O-CG 3.23Å; I533-M537 PolarHBondContact O-N 3.29Å; M534-M537 CarbonylContact O-C 3.12Å; M534-M537 WeakPolarHBondContact O-CA 3.39Å; M534-M537 PolarHBondContact O-N 3.01Å; D535-M537 VanDerWaalsContact C-N 3.25Å; D535-M537 PolarHBondContact O-N 3.14Å; M537-F542 WeakPolarHBondContact O-CD1 3.36Å; M537-L555 HydrophobicContact CB-CD1 4.42Å; M537-L555 HydrophobicContact CB-CD2 3.81Å; M537-L555 HydrophobicContact CB-CG 4.43Å; M537-L555 HydrophobicContact SD-CD2 4.03Å; M537-L555 HydrophobicContact SD-CG 4.18Å; M537-A559 HydrophobicContact CE-CB 4.33Å; M537-A559 HydrophobicContact SD-CB 4.07Å
538	M	76.8	Confident	79.1	Confident	39 Å²	39	45.9 Å²	45.9	19%	0.192	25%	0.254	C	S	.	.			trans	-132.8	37.9	-168.7	-68.1	-166.5	162.7	0	0	113.2	M534 D535 K543 L552 L555 L556	M534-M538 HydrophobicContact CE-CE 3.42Å; M534-M538 VanDerWaalsContact CE-CE 3.42Å; M534-M538 HydrophobicContact CE-CG 4.17Å; M534-M538 HydrophobicContact CE-SD 3.69Å; M534-M538 WeakPolarHBondContact O-CB 3.26Å; M534-M538 WeakPolarHBondContact O-CG 3.37Å; M534-M538 PolarHBondContact O-N 2.63Å; D535-M538 PolarHBondContact O-N 2.83Å; D535-M538 VanDerWaalsContact O-N 3.13Å; M538-K543 HydrophobicContact CB-CB 4.48Å; M538-L552 HydrophobicContact CE-CD1 3.41Å; M538-L552 VanDerWaalsContact CE-CD1 3.41Å; M538-L552 HydrophobicContact CE-CG 3.72Å; M538-L552 HydrophobicContact SD-CD1 4.37Å; M538-L555 HydrophobicContact CE-CD2 3.63Å; M538-L555 HydrophobicContact CG-CD2 4.26Å; M538-L556 HydrophobicContact CE-CD1 4.3Å; M538-L556 HydrophobicContact CE-CD2 4.38Å; M538-L556 HydrophobicContact CE-CG 3.91Å
539	V	77.9	Confident	78	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.263	C	S	.	.			trans	-46.6	136.5	164.7	-179	0	0	0	0	109.9	W320 L371 E374 G541 F542 K543	W320-V539 HydrophobicContact CB-CG2 4.04Å; W320-V539 HydrophobicContact CD2-CB 4.32Å; W320-V539 HydrophobicContact CD2-CG2 3.66Å; W320-V539 HydrophobicContact CE3-CG2 4.06Å; W320-V539 HydrophobicContact CG-CG2 3.61Å; L371-V539 HydrophobicContact CD1-CG2 4.35Å; L371-V539 HydrophobicContact CD2-CG2 4.15Å; E374-V539 HydrophobicContact CG-CG1 4.47Å; E374-V539 WeakPolarHBondContact OE1-CG1 3.38Å; V539-G541 PolarHBondContact O-N 2.75Å; V539-F542 PolarHBondContact O-N 2.98Å; V539-K543 PolarHBondContact O-N 2.99Å
540	A	71.3	Confident	77.1	Confident	37 Å²	37	50.1 Å²	50.1	31%	0.306	29%	0.292	S	S	.	.	H	α-helix	trans	-51.5	-49.3	-160	0	0	0	0	0	114.6	E374 F542 K543 K544	E374-A540 WeakPolarHBondContact OE2-CB 3.47Å; E374-A540 PolarHBondContact OE2-N 3.11Å; A540-F542 VanDerWaalsContact C-N 3.34Å; A540-F542 PolarHBondContact O-N 3.4Å; A540-K543 WeakPolarHBondContact O-CB 3.48Å; A540-K543 PolarHBondContact O-N 2.95Å; A540-K544 PolarHBondContact O-N 2.88Å
541	G	67.8	Low	76.5	Confident	44 Å²	44	51.2 Å²	51.2	45%	0.454	29%	0.293	S	S	.	.	H	α-helix	trans	-62.8	-35.2	178.2	0	0	0	0	0	114.1	V539 Q545	V539-G541 PolarHBondContact O-N 2.75Å; G541-Q545 PolarHBondContact O-N 3.01Å
542	F	74.1	Confident	76	Confident	5 Å²	5	49.3 Å²	49.3	2%	0.022	28%	0.283	C	S	.	.	H	α-helix	trans	-78.2	-33.4	177.7	-170.5	-106.8	0	0	0	112.4	W320 I354 M537 V539 A540 K544 Q545 M546 L555	W320-F542 HydrophobicContact CH2-CB 3.74Å; W320-F542 AromaticContact CH2-CD1 3.3Å; W320-F542 HydrophobicContact CH2-CD1 3.3Å; W320-F542 AromaticContact CH2-CD2 3.43Å; W320-F542 HydrophobicContact CH2-CD2 3.43Å; W320-F542 VanDerWaalsContact CH2-CD2 3.43Å; W320-F542 AromaticContact CH2-CE1 3.53Å; W320-F542 HydrophobicContact CH2-CE1 3.53Å; W320-F542 AromaticContact CH2-CE2 3.64Å; W320-F542 HydrophobicContact CH2-CE2 3.64Å; W320-F542 AromaticContact CH2-CG 3.21Å; W320-F542 HydrophobicContact CH2-CG 3.21Å; W320-F542 AromaticContact CH2-CZ 3.68Å; W320-F542 HydrophobicContact CH2-CZ 3.68Å; W320-F542 HydrophobicContact CZ2-CB 3.82Å; W320-F542 HydrophobicContact CZ2-CD1 4.24Å; W320-F542 AromaticContact CZ2-CD2 3.81Å; W320-F542 HydrophobicContact CZ2-CD2 3.81Å; W320-F542 HydrophobicContact CZ2-CE2 4.31Å; W320-F542 AromaticContact CZ2-CG 3.73Å; W320-F542 HydrophobicContact CZ2-CG 3.73Å; W320-F542 AromaticContact CZ3-CD1 3.7Å; W320-F542 HydrophobicContact CZ3-CD1 3.7Å; W320-F542 AromaticContact CZ3-CE1 3.84Å; W320-F542 HydrophobicContact CZ3-CE1 3.84Å; W320-F542 HydrophobicContact CZ3-CG 4.06Å; W320-F542 HydrophobicContact CZ3-CZ 4.31Å; I354-F542 HydrophobicContact CG2-CD2 4.4Å; I354-F542 HydrophobicContact CG2-CE2 3.39Å; I354-F542 HydrophobicContact CG2-CZ 3.87Å; M537-F542 WeakPolarHBondContact O-CD1 3.36Å; V539-F542 PolarHBondContact O-N 2.98Å; A540-F542 VanDerWaalsContact C-N 3.34Å; A540-F542 PolarHBondContact O-N 3.4Å; F542-K544 VanDerWaalsContact C-N 3.26Å; F542-K544 PolarHBondContact O-N 3.12Å; F542-Q545 PolarHBondContact O-N 2.68Å; F542-M546 HydrophobicContact CD1-CG 3.9Å; F542-M546 HydrophobicContact CE1-CE 3.53Å; F542-M546 HydrophobicContact CE1-CG 3.63Å; F542-M546 HydrophobicContact CE1-SD 4.45Å; F542-M546 HydrophobicContact CE2-CE 4.18Å; F542-M546 HydrophobicContact CZ-CE 3.27Å; F542-M546 HydrophobicContact CZ-CG 4.09Å; F542-M546 WeakPolarHBondContact O-CB 3.36Å; F542-M546 PolarHBondContact O-N 2.79Å; F542-L555 HydrophobicContact CE1-CD1 3.88Å
543	K	75.2	Confident	75.2	Confident	121 Å²	121	52.7 Å²	52.7	53%	0.526	30%	0.3	S	S	.	.	H	α-helix	trans	-57.9	-39.3	173	-176.5	-175.6	175.6	-173.7	0	111.4	M538 V539 A540 A547	M538-K543 HydrophobicContact CB-CB 4.48Å; V539-K543 PolarHBondContact O-N 2.99Å; A540-K543 WeakPolarHBondContact O-CB 3.48Å; A540-K543 PolarHBondContact O-N 2.95Å; K543-A547 PolarHBondContact O-N 3.39Å; K543-A547 VanDerWaalsContact O-N 3.1Å
544	K	73.1	Confident	74.5	Confident	148 Å²	148	56.1 Å²	56.1	64%	0.643	32%	0.321	S	S	*	.	H	α-helix	trans	-60.8	-57.3	172.1	-173	174.6	178.6	179	0	111	A540 F542 M546 A547 D548	A540-K544 PolarHBondContact O-N 2.88Å; F542-K544 VanDerWaalsContact C-N 3.26Å; F542-K544 PolarHBondContact O-N 3.12Å; K544-M546 PolarHBondContact O-N 3.23Å; K544-M546 VanDerWaalsContact O-N 3.13Å; K544-A547 WeakPolarHBondContact O-CA 3.45Å; K544-A547 WeakPolarHBondContact O-CB 3.24Å; K544-A547 PolarHBondContact O-N 3.3Å; K544-D548 PolarHBondContact O-N 3.44Å
545	Q	71	Confident	73.9	Confident	53 Å²	53	55.4 Å²	55.4	25%	0.248	32%	0.317	C	S	.	.	H	α-helix	trans	-56.6	-32.7	178.6	-171.1	169.3	26.9	0	0	113.9	D353 I354 G541 F542 T549	D353-Q545 PolarHBondContact O-NE2 3.02Å; I354-Q545 HydrophobicContact CG1-CG 4.47Å; G541-Q545 PolarHBondContact O-N 3.01Å; F542-Q545 PolarHBondContact O-N 2.68Å; Q545-T549 WeakPolarHBondContact O-CB 3.28Å; Q545-T549 WeakPolarHBondContact O-CG2 3.28Å; Q545-T549 PolarHBondContact O-N 3.43Å; Q545-T549 PolarHBondContact O-OG1 3.23Å
546	M	72.2	Confident	73.2	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-77.6	-24.9	175.4	-82.4	-72.7	176	0	0	114.4	I354 F542 K544 K551 L552 L555	I354-M546 HydrophobicContact CD1-CE 3.58Å; I354-M546 HydrophobicContact CD1-SD 4.03Å; I354-M546 HydrophobicContact CG1-CE 4.39Å; I354-M546 HydrophobicContact CG2-CE 4.16Å; F542-M546 HydrophobicContact CD1-CG 3.9Å; F542-M546 HydrophobicContact CE1-CE 3.53Å; F542-M546 HydrophobicContact CE1-CG 3.63Å; F542-M546 HydrophobicContact CE1-SD 4.45Å; F542-M546 HydrophobicContact CE2-CE 4.18Å; F542-M546 HydrophobicContact CZ-CE 3.27Å; F542-M546 HydrophobicContact CZ-CG 4.09Å; F542-M546 WeakPolarHBondContact O-CB 3.36Å; F542-M546 PolarHBondContact O-N 2.79Å; K544-M546 PolarHBondContact O-N 3.23Å; K544-M546 VanDerWaalsContact O-N 3.13Å; M546-K551 PolarHBondContact O-N 3.44Å; M546-K551 HydrophobicContact SD-CB 3.84Å; M546-L552 HydrophobicContact CB-CB 4.5Å; M546-L552 HydrophobicContact CB-CD1 3.65Å; M546-L552 PolarHBondContact O-N 3.41Å; M546-L552 VanDerWaalsContact O-N 3.14Å; M546-L555 HydrophobicContact CE-CD1 3.85Å; M546-L555 HydrophobicContact CG-CD1 4.47Å; M546-L555 HydrophobicContact SD-CD1 4.28Å
547	A	72.5	Confident	72.6	Confident	57 Å²	57	58.3 Å²	58.3	47%	0.471	33%	0.33	S	S	.	.	H	α-helix	trans	-74.3	-50.7	169.3	0	0	0	0	0	110.2	K543 K544 T549 G550	K543-A547 PolarHBondContact O-N 3.39Å; K543-A547 VanDerWaalsContact O-N 3.1Å; K544-A547 WeakPolarHBondContact O-CA 3.45Å; K544-A547 WeakPolarHBondContact O-CB 3.24Å; K544-A547 PolarHBondContact O-N 3.3Å; A547-T549 PolarHBondContact O-N 2.87Å; A547-G550 PolarHBondContact O-N 3.26Å
548	D	70.8	Confident	72.2	Confident	121 Å²	121	61.8 Å²	61.8	65%	0.647	34%	0.343	S	S	*	.	H	α-helix	trans	-56.6	-34.7	-179.7	-56.3	-26.3	0	0	0	112.4	K544	K544-D548 PolarHBondContact O-N 3.44Å
549	T	71.4	Confident	72	Confident	40 Å²	40	60 Å²	60	25%	0.245	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	2.7	178.1	58.6	0	0	0	0	114.7	D353 I354 Q545 A547 K551	D353-T549 HydrophobicContact CB-CG2 4.35Å; I354-T549 HydrophobicContact CG1-CG2 4.27Å; Q545-T549 WeakPolarHBondContact O-CB 3.28Å; Q545-T549 WeakPolarHBondContact O-CG2 3.28Å; Q545-T549 PolarHBondContact O-N 3.43Å; Q545-T549 PolarHBondContact O-OG1 3.23Å; A547-T549 PolarHBondContact O-N 2.87Å; T549-K551 WeakPolarHBondContact O-CG 3.2Å; T549-K551 PolarHBondContact O-N 2.81Å
550	G	72.4	Confident	71.9	Confident	60 Å²	60	62 Å²	62	62%	0.619	35%	0.347	S	S	*	.	S	Bend	trans	66.2	-0.2	179.8	0	0	0	0	0	116	A547 L552	A547-G550 PolarHBondContact O-N 3.26Å; G550-L552 PolarHBondContact O-N 3.23Å
551	K	72.1	Confident	72.1	Confident	68 Å²	68	63.9 Å²	63.9	30%	0.296	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-7	-169.7	-72.3	153	-169.3	155.5	0	114	D353 I354 M546 T549 N553 T554 L555	D353-K551 IonicContact OD2-NZ 2.76Å; D353-K551 PolarHBondContact OD2-NZ 2.86Å; I354-K551 HydrophobicContact CD1-CD 3.6Å; M546-K551 PolarHBondContact O-N 3.44Å; M546-K551 HydrophobicContact SD-CB 3.84Å; T549-K551 WeakPolarHBondContact O-CG 3.2Å; T549-K551 PolarHBondContact O-N 2.81Å; K551-N553 VanDerWaalsContact C-N 3.28Å; K551-N553 PolarHBondContact O-N 2.98Å; K551-N553 VanDerWaalsContact O-N 3.15Å; K551-T554 WeakPolarHBondContact O-CB 3.41Å; K551-T554 PolarHBondContact O-N 3.31Å; K551-L555 PolarHBondContact O-N 2.81Å
552	L	72	Confident	72.6	Confident	46 Å²	46	62 Å²	62	24%	0.241	33%	0.329	C	S	.	.	H	α-helix	trans	-43.8	-46.9	179.5	-159.9	78.6	0	0	0	114	M538 M546 G550 T554 L555 L556	M538-L552 HydrophobicContact CE-CD1 3.41Å; M538-L552 VanDerWaalsContact CE-CD1 3.41Å; M538-L552 HydrophobicContact CE-CG 3.72Å; M538-L552 HydrophobicContact SD-CD1 4.37Å; M546-L552 HydrophobicContact CB-CB 4.5Å; M546-L552 HydrophobicContact CB-CD1 3.65Å; M546-L552 PolarHBondContact O-N 3.41Å; M546-L552 VanDerWaalsContact O-N 3.14Å; G550-L552 PolarHBondContact O-N 3.23Å; L552-T554 VanDerWaalsContact C-N 3.34Å; L552-T554 PolarHBondContact O-N 3.34Å; L552-L555 PolarHBondContact O-N 3.5Å; L552-L556 HydrophobicContact CG-CD1 4.4Å; L552-L556 PolarHBondContact O-N 3.16Å
553	N	69.6	Low	73.1	Confident	107 Å²	107	61.7 Å²	61.7	57%	0.572	33%	0.328	S	S	*	.	H	α-helix	trans	-66.6	-31.4	-178.9	-76.5	-37.5	0	0	0	113.5	K551 Q557	K551-N553 VanDerWaalsContact C-N 3.28Å; K551-N553 PolarHBondContact O-N 2.98Å; K551-N553 VanDerWaalsContact O-N 3.15Å; N553-Q557 WeakPolarHBondContact O-CG 3.33Å; N553-Q557 PolarHBondContact O-N 2.9Å
554	T	70.9	Confident	73.5	Confident	76 Å²	76	57 Å²	57	47%	0.466	31%	0.313	S	S	.	.	H	α-helix	trans	-72.5	-31.7	176.5	-58.6	0	0	0	0	111.6	K551 L552	K551-T554 WeakPolarHBondContact O-CB 3.41Å; K551-T554 PolarHBondContact O-N 3.31Å; L552-T554 VanDerWaalsContact C-N 3.34Å; L552-T554 PolarHBondContact O-N 3.34Å
555	L	68.7	Low	74.2	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-75.2	-40.9	175.4	178.6	150.6	0	0	0	111.4	F318 M534 M537 M538 F542 M546 K551 L552 Q557 R558	F318-L555 HydrophobicContact CB-CD1 4.23Å; F318-L555 HydrophobicContact CD1-CD1 3.66Å; F318-L555 HydrophobicContact CD1-CG 4.44Å; F318-L555 HydrophobicContact CE1-CD1 4.25Å; F318-L555 HydrophobicContact CG-CD1 4.16Å; M534-L555 HydrophobicContact CE-CD2 3.78Å; M537-L555 HydrophobicContact CB-CD1 4.42Å; M537-L555 HydrophobicContact CB-CD2 3.81Å; M537-L555 HydrophobicContact CB-CG 4.43Å; M537-L555 HydrophobicContact SD-CD2 4.03Å; M537-L555 HydrophobicContact SD-CG 4.18Å; M538-L555 HydrophobicContact CE-CD2 3.63Å; M538-L555 HydrophobicContact CG-CD2 4.26Å; F542-L555 HydrophobicContact CE1-CD1 3.88Å; M546-L555 HydrophobicContact CE-CD1 3.85Å; M546-L555 HydrophobicContact CG-CD1 4.47Å; M546-L555 HydrophobicContact SD-CD1 4.28Å; K551-L555 PolarHBondContact O-N 2.81Å; L552-L555 PolarHBondContact O-N 3.5Å; L555-Q557 PolarHBondContact O-N 3.23Å; L555-R558 WeakPolarHBondContact O-CB 3.18Å; L555-R558 PolarHBondContact O-N 3.27Å
556	L	68.7	Low	75.1	Confident	59 Å²	59	51.1 Å²	51.1	31%	0.309	29%	0.287	S	S	.	.	H	α-helix	trans	-52	-35.7	171.1	-84.1	154.3	0	0	0	113.3	M534 M538 L552 R558	M534-L556 HydrophobicContact CE-CB 4.38Å; M534-L556 HydrophobicContact CE-CD2 3.43Å; M534-L556 VanDerWaalsContact CE-CD2 3.43Å; M534-L556 HydrophobicContact CE-CG 3.74Å; M534-L556 HydrophobicContact CG-CD2 4.45Å; M534-L556 HydrophobicContact SD-CD2 3.8Å; M534-L556 HydrophobicContact SD-CG 4.43Å; M538-L556 HydrophobicContact CE-CD1 4.3Å; M538-L556 HydrophobicContact CE-CD2 4.38Å; M538-L556 HydrophobicContact CE-CG 3.91Å; L552-L556 HydrophobicContact CG-CD1 4.4Å; L552-L556 PolarHBondContact O-N 3.16Å; L556-R558 VanDerWaalsContact C-N 3.28Å; L556-R558 PolarHBondContact O-N 3.14Å
557	Q	73.1	Confident	76	Confident	134 Å²	134	51.1 Å²	51.1	63%	0.626	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.1	176.9	-67.7	178.4	15.9	0	0	114.4	F258 N553 L555	F258-Q557 WeakPolarHBondContact CE2-O 3.09Å; N553-Q557 WeakPolarHBondContact O-CG 3.33Å; N553-Q557 PolarHBondContact O-N 2.9Å; L555-Q557 PolarHBondContact O-N 3.23Å
558	R	74.4	Confident	76.8	Confident	74 Å²	74	51.1 Å²	51.1	28%	0.279	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-30.3	-177.4	-66.5	-174.4	-169.4	-149.8	8.6	114.4	L555 L556 P560 Q561	L555-R558 WeakPolarHBondContact O-CB 3.18Å; L555-R558 PolarHBondContact O-N 3.27Å; L556-R558 VanDerWaalsContact C-N 3.28Å; L556-R558 PolarHBondContact O-N 3.14Å; R558-P560 VanDerWaalsContact C-CD 3.43Å; R558-P560 VanDerWaalsContact C-N 3.35Å; R558-Q561 WeakPolarHBondContact O-CB 3.43Å; R558-Q561 VanDerWaalsContact O-CG 3.32Å; R558-Q561 WeakPolarHBondContact O-CG 3.11Å; R558-Q561 PolarHBondContact O-N 3.3Å
559	A	73.4	Confident	77.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-53	-38.9	-179.4	0	0	0	0	0	115.4	T530 I533 M534 M537 Q561 C562	T530-A559 HydrophobicContact CG2-CB 4.23Å; I533-A559 HydrophobicContact CB-CB 4.24Å; I533-A559 HydrophobicContact CG2-CB 3.64Å; M534-A559 HydrophobicContact CG-CB 4.15Å; M534-A559 HydrophobicContact SD-CB 3.28Å; M534-A559 WeakPolarHBondContact SD-CB 2.8Å; M537-A559 HydrophobicContact CE-CB 4.33Å; M537-A559 HydrophobicContact SD-CB 4.07Å; A559-Q561 PolarHBondContact O-N 2.8Å; A559-Q561 VanDerWaalsContact O-N 3.14Å; A559-C562 PolarHBondContact O-N 2.99Å
560	P	76.1	Confident	78.8	Confident	43 Å²	43	45.2 Å²	45.2	28%	0.279	24%	0.244	S	C	.	.	H	α-helix	trans	-60	-23.5	174.3	-25.2	35.4	0	0	0	114.6	F258 T530 R558	F258-P560 HydrophobicContact CD2-CB 3.97Å; F258-P560 HydrophobicContact CD2-CG 4.49Å; F258-P560 HydrophobicContact CG-CB 4.35Å; T530-P560 HydrophobicContact CG2-CG 3.97Å; R558-P560 VanDerWaalsContact C-CD 3.43Å; R558-P560 VanDerWaalsContact C-N 3.35Å
561	Q	73.9	Confident	79.7	Confident	78 Å²	78	42.3 Å²	42.3	36%	0.364	22%	0.215	S	C	.	.	H	α-helix	trans	-72.2	-42	179.3	-53.9	169	6.2	0	0	111.1	F258 S315 R558 A559 L563	F258-Q561 HydrophobicContact CD1-CG 3.96Å; F258-Q561 HydrophobicContact CE1-CG 3.48Å; F258-Q561 VanDerWaalsContact CE1-CG 3.48Å; F258-Q561 HydrophobicContact CE2-CG 4.46Å; F258-Q561 HydrophobicContact CZ-CG 3.78Å; F258-Q561 VanDerWaalsContact CZ-NE2 3.34Å; S315-Q561 PolarHBondContact OG-OE1 3.01Å; R558-Q561 WeakPolarHBondContact O-CB 3.43Å; R558-Q561 VanDerWaalsContact O-CG 3.32Å; R558-Q561 WeakPolarHBondContact O-CG 3.11Å; R558-Q561 PolarHBondContact O-N 3.3Å; A559-Q561 PolarHBondContact O-N 2.8Å; A559-Q561 VanDerWaalsContact O-N 3.14Å; Q561-L563 VanDerWaalsContact C-N 3.29Å; Q561-L563 PolarHBondContact O-N 2.87Å
562	C	78	Confident	80.6	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.02	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-33.5	-179.9	-55.8	0	0	0	0	111.8	S315 L319 I533 A559 G564 K565 F566	S315-C562 VanDerWaalsContact C-SG 3.54Å; S315-C562 WeakPolarHBondContact CB-SG 3.42Å; S315-C562 PolarHBondContact O-SG 3.06Å; L319-C562 HydrophobicContact CD1-CB 4.34Å; I533-C562 HydrophobicContact CD1-CB 4.36Å; I533-C562 HydrophobicContact CG2-CB 4.14Å; A559-C562 PolarHBondContact O-N 2.99Å; C562-G564 VanDerWaalsContact C-N 3.33Å; C562-G564 PolarHBondContact O-N 3.07Å; C562-K565 CarbonylContact O-C 3.37Å; C562-K565 WeakPolarHBondContact O-CA 3.29Å; C562-K565 WeakPolarHBondContact O-CB 3.46Å; C562-K565 PolarHBondContact O-N 2.78Å; C562-F566 HydrophobicContact CB-CD2 3.96Å; C562-F566 HydrophobicContact CB-CE2 3.96Å; C562-F566 WeakPolarHBondContact O-CD2 3.39Å; C562-F566 PolarHBondContact O-N 3.01Å
563	L	85.2	Confident	81.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-36.8	-172	-168.7	36.6	0	0	0	113.4	L528 I533 Q561 K565 F566 I567 Q581	L528-L563 HydrophobicContact CB-CD1 4.01Å; I533-L563 HydrophobicContact CD1-CB 3.54Å; I533-L563 HydrophobicContact CD1-CD1 3.77Å; I533-L563 HydrophobicContact CD1-CD2 4.21Å; I533-L563 HydrophobicContact CD1-CG 4.01Å; Q561-L563 VanDerWaalsContact C-N 3.29Å; Q561-L563 PolarHBondContact O-N 2.87Å; L563-K565 VanDerWaalsContact C-N 3.29Å; L563-K565 PolarHBondContact O-N 3.39Å; L563-F566 HydrophobicContact CD1-CB 4.47Å; L563-F566 PolarHBondContact O-N 2.89Å; L563-I567 HydrophobicContact CD1-CD1 4.29Å; L563-I567 HydrophobicContact CD1-CG1 4.35Å; L563-I567 HydrophobicContact CG-CD1 4.46Å; L563-I567 VanDerWaalsContact O-CG1 3.31Å; L563-I567 WeakPolarHBondContact O-CG1 3.29Å; L563-I567 PolarHBondContact O-N 3.18Å; L563-Q581 VanDerWaalsContact CD2-CD 3.43Å; L563-Q581 HydrophobicContact CD2-CG 3.65Å; L563-Q581 HydrophobicContact CG-CG 4.32Å
564	G	84.5	Confident	82.5	Confident	21 Å²	21	46.6 Å²	46.6	22%	0.216	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-39.1	172.6	0	0	0	0	0	112.7	C562 E568	C562-G564 VanDerWaalsContact C-N 3.33Å; C562-G564 PolarHBondContact O-N 3.07Å; G564-E568 PolarHBondContact O-N 3.25Å
565	K	86.3	Confident	83.7	Confident	74 Å²	74	43.3 Å²	43.3	32%	0.322	20%	0.201	S	C	.	.	H	α-helix	trans	-76	-37.1	177.1	-72.4	-72.3	169	-141.7	0	113.1	F316 C562 L563 I567 E568 I569	F316-K565 HydrophobicContact CE2-CB 3.51Å; F316-K565 HydrophobicContact CE2-CG 4.1Å; F316-K565 HydrophobicContact CZ-CB 3.55Å; C562-K565 CarbonylContact O-C 3.37Å; C562-K565 WeakPolarHBondContact O-CA 3.29Å; C562-K565 WeakPolarHBondContact O-CB 3.46Å; C562-K565 PolarHBondContact O-N 2.78Å; L563-K565 VanDerWaalsContact C-N 3.29Å; L563-K565 PolarHBondContact O-N 3.39Å; K565-I567 VanDerWaalsContact C-N 3.25Å; K565-I567 PolarHBondContact O-N 3.32Å; K565-E568 IonicContact NZ-OE1 2.8Å; K565-E568 PolarHBondContact NZ-OE1 2.66Å; K565-E568 IonicContact NZ-OE2 3.09Å; K565-E568 PolarHBondContact NZ-OE2 2.67Å; K565-E568 PolarHBondContact O-N 3.47Å; K565-E568 VanDerWaalsContact O-N 3.16Å; K565-I569 VanDerWaalsContact O-CG1 3.31Å; K565-I569 WeakPolarHBondContact O-CG1 3.3Å; K565-I569 PolarHBondContact O-N 2.84Å
566	F	89.9	Confident	85	Confident	5 Å²	5	43.8 Å²	43.8	2%	0.022	20%	0.204	C	C	.	.	H	α-helix	trans	-56.8	-40.7	170.5	-87.9	-68.8	0	0	0	112	L297 H298 F316 L319 L528 I533 C562 L563 I569 A570	L297-F566 HydrophobicContact CB-CD1 3.95Å; L297-F566 HydrophobicContact CB-CE1 4.03Å; L297-F566 HydrophobicContact CD1-CD1 3.99Å; H298-F566 HydrophobicContact CB-CE1 4.16Å; H298-F566 HydrophobicContact CB-CZ 4.31Å; H298-F566 AromaticContact CG-CE1 3.99Å; H298-F566 AromaticContact CG-CZ 3.89Å; H298-F566 AromaticContact ND1-CE1 3.37Å; H298-F566 WeakPolarHBondContact ND1-CE1 3.47Å; H298-F566 AromaticContact ND1-CZ 3.42Å; H298-F566 WeakPolarHBondContact ND1-CZ 3.46Å; F316-F566 HydrophobicContact CD1-CE2 4.44Å; F316-F566 HydrophobicContact CD1-CZ 4.39Å; F316-F566 HydrophobicContact CE1-CD1 4.45Å; F316-F566 HydrophobicContact CE1-CD2 4.08Å; F316-F566 HydrophobicContact CE1-CE1 4.16Å; F316-F566 AromaticContact CE1-CE2 3.76Å; F316-F566 HydrophobicContact CE1-CE2 3.76Å; F316-F566 HydrophobicContact CE1-CG 4.43Å; F316-F566 AromaticContact CE1-CZ 3.82Å; F316-F566 HydrophobicContact CE1-CZ 3.82Å; F316-F566 HydrophobicContact CZ-CD2 4.39Å; F316-F566 HydrophobicContact CZ-CE2 4.48Å; L319-F566 HydrophobicContact CD1-CE2 3.6Å; L319-F566 HydrophobicContact CD1-CZ 3.76Å; L528-F566 HydrophobicContact CD2-CB 4.37Å; I533-F566 HydrophobicContact CD1-CD2 3.49Å; I533-F566 VanDerWaalsContact CD1-CD2 3.49Å; I533-F566 HydrophobicContact CD1-CE2 3.85Å; I533-F566 HydrophobicContact CD1-CG 4.43Å; I533-F566 HydrophobicContact CG1-CD2 3.92Å; I533-F566 HydrophobicContact CG1-CE2 3.8Å; I533-F566 HydrophobicContact CG2-CE2 4.42Å; C562-F566 HydrophobicContact CB-CD2 3.96Å; C562-F566 HydrophobicContact CB-CE2 3.96Å; C562-F566 WeakPolarHBondContact O-CD2 3.39Å; C562-F566 PolarHBondContact O-N 3.01Å; L563-F566 HydrophobicContact CD1-CB 4.47Å; L563-F566 PolarHBondContact O-N 2.89Å; F566-I569 PolarHBondContact O-N 2.74Å; F566-A570 WeakPolarHBondContact O-CB 3.38Å; F566-A570 PolarHBondContact O-N 3.42Å
567	I	91.4	Very high	86.3	Confident	4 Å²	4	41 Å²	41	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-40.8	175.9	-68.2	167.1	0	0	0	111.6	L563 K565 I569 A571 L579 K592 L595 F596	L563-I567 HydrophobicContact CD1-CD1 4.29Å; L563-I567 HydrophobicContact CD1-CG1 4.35Å; L563-I567 HydrophobicContact CG-CD1 4.46Å; L563-I567 VanDerWaalsContact O-CG1 3.31Å; L563-I567 WeakPolarHBondContact O-CG1 3.29Å; L563-I567 PolarHBondContact O-N 3.18Å; K565-I567 VanDerWaalsContact C-N 3.25Å; K565-I567 PolarHBondContact O-N 3.32Å; I567-I569 VanDerWaalsContact C-N 3.3Å; I567-I569 PolarHBondContact O-N 3.15Å; I567-A571 PolarHBondContact O-N 3.14Å; I567-L579 HydrophobicContact CD1-CD2 4.49Å; I567-L579 HydrophobicContact CG1-CD2 4.09Å; I567-K592 HydrophobicContact CD1-CD 4.18Å; I567-L595 HydrophobicContact CG2-CD1 3.89Å; I567-F596 HydrophobicContact CG2-CE2 3.94Å; I567-F596 HydrophobicContact CG2-CZ 4.34Å
568	E	89.4	Confident	87.5	Confident	58 Å²	58	34.6 Å²	34.6	27%	0.271	16%	0.159	S	C	.	.	H	α-helix	trans	-64.4	-30	174.1	-72	177.2	-151.5	0	0	113.8	G564 K565 L595	G564-E568 PolarHBondContact O-N 3.25Å; K565-E568 IonicContact NZ-OE1 2.8Å; K565-E568 PolarHBondContact NZ-OE1 2.66Å; K565-E568 IonicContact NZ-OE2 3.09Å; K565-E568 PolarHBondContact NZ-OE2 2.67Å; K565-E568 PolarHBondContact O-N 3.47Å; K565-E568 VanDerWaalsContact O-N 3.16Å; E568-L595 HydrophobicContact CG-CD1 4.5Å
569	I	90.9	Very high	88.5	Confident	36 Å²	36	31.1 Å²	31.1	19%	0.185	15%	0.146	C	C	.	.	H	α-helix	trans	-81.6	-45.7	177.2	-65.5	163.9	0	0	0	110.6	L297 L311 F316 K565 F566 I567 A571 R572	L297-I569 HydrophobicContact CB-CG2 4.1Å; L297-I569 WeakPolarHBondContact O-CG2 3.18Å; L311-I569 HydrophobicContact CD1-CD1 4.08Å; F316-I569 HydrophobicContact CE1-CD1 4.43Å; F316-I569 HydrophobicContact CZ-CD1 4.06Å; K565-I569 VanDerWaalsContact O-CG1 3.31Å; K565-I569 WeakPolarHBondContact O-CG1 3.3Å; K565-I569 PolarHBondContact O-N 2.84Å; F566-I569 PolarHBondContact O-N 2.74Å; I567-I569 VanDerWaalsContact C-N 3.3Å; I567-I569 PolarHBondContact O-N 3.15Å; I569-A571 VanDerWaalsContact C-N 3.29Å; I569-A571 PolarHBondContact O-N 3.37Å; I569-R572 WeakPolarHBondContact O-CB 3.45Å; I569-R572 PolarHBondContact O-N 3.11Å
570	A	93.3	Very high	89.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.8	-41.9	179.6	0	0	0	0	0	112.4	L297 L528 F566 R572 K573 F577 F596	L297-A570 HydrophobicContact CD1-CB 3.9Å; L528-A570 HydrophobicContact CD1-CB 3.66Å; F566-A570 WeakPolarHBondContact O-CB 3.38Å; F566-A570 PolarHBondContact O-N 3.42Å; A570-R572 PolarHBondContact O-N 3.48Å; A570-K573 PolarHBondContact O-N 2.83Å; A570-F577 HydrophobicContact CB-CD1 3.88Å; A570-F577 HydrophobicContact CB-CD2 4.24Å; A570-F577 HydrophobicContact CB-CE1 3.59Å; A570-F577 HydrophobicContact CB-CE2 3.93Å; A570-F577 HydrophobicContact CB-CG 4.22Å; A570-F577 HydrophobicContact CB-CZ 3.6Å; A570-F577 VanDerWaalsContact O-CE2 3.23Å; A570-F577 WeakPolarHBondContact O-CE2 3.28Å; A570-F577 WeakPolarHBondContact O-CZ 3.43Å; A570-F596 HydrophobicContact CB-CE1 4.11Å; A570-F596 HydrophobicContact CB-CZ 4.06Å
571	A	92.4	Very high	90.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-9.4	176.9	0	0	0	0	0	114.9	P275 I567 I569 L595 F596	P275-A571 HydrophobicContact CG-CB 4.3Å; I567-A571 PolarHBondContact O-N 3.14Å; I569-A571 VanDerWaalsContact C-N 3.29Å; I569-A571 PolarHBondContact O-N 3.37Å; A571-L595 HydrophobicContact CB-CB 3.72Å; A571-F596 HydrophobicContact CB-CD1 4.06Å; A571-F596 HydrophobicContact CB-CE1 4.04Å; A571-F596 HydrophobicContact CB-CG 4.31Å; A571-F596 HydrophobicContact CB-CZ 4.27Å
572	R	89.7	Confident	90.6	Very high	148 Å²	148	29.2 Å²	29.2	56%	0.558	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-0.9	174.6	-49.8	-172.3	-170.7	-151.7	4.5	114.1	P275 E278 I569 A570	P275-R572 HydrophobicContact CB-CG 3.82Å; P275-R572 HydrophobicContact CG-CG 3.83Å; E278-R572 IonicContact OE1-NH1 3.34Å; I569-R572 WeakPolarHBondContact O-CB 3.45Å; I569-R572 PolarHBondContact O-N 3.11Å; A570-R572 PolarHBondContact O-N 3.48Å
573	K	91	Very high	91.2	Very high	89 Å²	89	29.1 Å²	29.1	39%	0.387	14%	0.135	S	C	.	.	S	Bend	trans	-118.1	130.9	-174.7	-64.9	-62.2	-174.2	-178.5	0	110.1	L297 A570 R575 F577	L297-K573 HydrophobicContact CD2-CB 4.35Å; L297-K573 HydrophobicContact CD2-CG 4.11Å; A570-K573 PolarHBondContact O-N 2.83Å; K573-R575 VanDerWaalsContact C-N 3.31Å; K573-R575 HydrophobicContact CB-CG 4.26Å; K573-R575 PolarHBondContact O-N 2.95Å; K573-F577 HydrophobicContact CB-CZ 4.35Å
574	K	92.4	Very high	91.4	Very high	74 Å²	74	29.5 Å²	29.5	32%	0.322	14%	0.138	S	C	.	.	S	Bend	trans	-72.7	82.6	176.1	-66.2	175.9	177.5	173.6	0	110.4	D280 E492 C497	D280-K574 WeakPolarHBondContact OD2-CE 3.46Å; D280-K574 IonicContact OD2-NZ 2.8Å; D280-K574 PolarHBondContact OD2-NZ 2.91Å; E492-K574 WeakPolarHBondContact O-CD 3.46Å; E492-K574 WeakPolarHBondContact O-CE 3.43Å; E492-K574 PolarHBondContact O-NZ 2.94Å; C497-K574 VanDerWaalsContact SG-CA 3.52Å
575	R	94.7	Very high	91.6	Very high	6 Å²	6	29.8 Å²	29.8	2%	0.023	14%	0.136	C	C	.	.	S	Bend	trans	-147.4	164.5	176	-40.8	-168.4	-180	174.7	-3	110.5	T292 Y293 C295 N526 K573 F577 F599	T292-R575 PolarHBondContact O-NH2 2.9Å; Y293-R575 HydrophobicContact CD2-CB 4.37Å; Y293-R575 HydrophobicContact CD2-CG 3.69Å; Y293-R575 HydrophobicContact CE2-CB 3.75Å; Y293-R575 HydrophobicContact CE2-CG 3.58Å; Y293-R575 PolarHBondContact O-NH1 2.87Å; Y293-R575 PolarHBondContact O-NH2 2.97Å; Y293-R575 VanDerWaalsContact O-NH2 3.09Å; C295-R575 VanDerWaalsContact O-CZ 3.25Å; C295-R575 PolarHBondContact O-NH1 2.91Å; C295-R575 PolarHBondContact O-NH2 3.49Å; C295-R575 PolarHBondContact SG-NH2 2.97Å; N526-R575 WeakPolarHBondContact OD1-CD 3.46Å; N526-R575 PolarHBondContact OD1-NH1 3.49Å; K573-R575 VanDerWaalsContact C-N 3.31Å; K573-R575 HydrophobicContact CB-CG 4.26Å; K573-R575 PolarHBondContact O-N 2.95Å; R575-F577 HydrophobicContact CB-CE1 4.26Å; R575-F577 HydrophobicContact CB-CE2 3.94Å; R575-F577 HydrophobicContact CB-CZ 3.7Å; R575-F577 HydrophobicContact CG-CZ 4.08Å; R575-F577 VanDerWaalsContact O-CD2 3.28Å; R575-F577 WeakPolarHBondContact O-CD2 3.46Å; R575-F577 VanDerWaalsContact O-CE2 3.26Å; R575-F577 WeakPolarHBondContact O-CE2 3.44Å; R575-F599 WeakPolarHBondContact O-CE1 3.15Å
576	N	95.7	Very high	91.7	Very high	14 Å²	14	28.4 Å²	28.4	8%	0.075	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	141.9	169.4	-43	-63.2	0	0	0	110.7	E498 K524 Y525 N526	E498-N576 HydrophobicContact CB-CB 4.31Å; E498-N576 PolarHBondContact N-OD1 3.44Å; E498-N576 CarbonylContact O-C 3.44Å; E498-N576 WeakPolarHBondContact O-CA 3.31Å; E498-N576 WeakPolarHBondContact O-CB 3.31Å; K524-N576 WeakPolarHBondContact O-CB 3.48Å; K524-N576 PolarHBondContact O-ND2 2.93Å; Y525-N576 HydrophobicContact CD1-CB 3.61Å; Y525-N576 HydrophobicContact CE1-CB 3.97Å; Y525-N576 HydrophobicContact CG-CB 4.47Å; N526-N576 WeakPolarHBondContact CB-O 3.5Å; N526-N576 PolarHBondContact N-O 3.22Å; N526-N576 PolarHBondContact ND2-O 3.24Å
577	F	97	Very high	91.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.9	-174.3	-63.7	-74	0	0	0	112.5	L297 E498 V499 V500 N526 L528 A570 K573 R575 F596 F599	L297-F577 HydrophobicContact CD1-CE1 3.96Å; L297-F577 HydrophobicContact CD2-CE1 4.09Å; L297-F577 HydrophobicContact CD2-CZ 4.2Å; E498-F577 PolarHBondContact O-N 2.76Å; V499-F577 WeakPolarHBondContact CA-O 3.36Å; V499-F577 HydrophobicContact CG2-CB 4.14Å; V500-F577 PolarHBondContact N-O 3.41Å; N526-F577 HydrophobicContact CB-CD1 3.55Å; N526-F577 HydrophobicContact CB-CE1 3.69Å; N526-F577 WeakPolarHBondContact O-CA 3.44Å; L528-F577 HydrophobicContact CD1-CB 4.45Å; L528-F577 HydrophobicContact CD1-CD1 3.77Å; L528-F577 HydrophobicContact CD1-CE1 4.45Å; L528-F577 HydrophobicContact CD1-CG 4.34Å; L528-F577 HydrophobicContact CG-CD1 4.23Å; A570-F577 HydrophobicContact CB-CD1 3.88Å; A570-F577 HydrophobicContact CB-CD2 4.24Å; A570-F577 HydrophobicContact CB-CE1 3.59Å; A570-F577 HydrophobicContact CB-CE2 3.93Å; A570-F577 HydrophobicContact CB-CG 4.22Å; A570-F577 HydrophobicContact CB-CZ 3.6Å; A570-F577 VanDerWaalsContact O-CE2 3.23Å; A570-F577 WeakPolarHBondContact O-CE2 3.28Å; A570-F577 WeakPolarHBondContact O-CZ 3.43Å; K573-F577 HydrophobicContact CB-CZ 4.35Å; R575-F577 HydrophobicContact CB-CE1 4.26Å; R575-F577 HydrophobicContact CB-CE2 3.94Å; R575-F577 HydrophobicContact CB-CZ 3.7Å; R575-F577 HydrophobicContact CG-CZ 4.08Å; R575-F577 VanDerWaalsContact O-CD2 3.28Å; R575-F577 WeakPolarHBondContact O-CD2 3.46Å; R575-F577 VanDerWaalsContact O-CE2 3.26Å; R575-F577 WeakPolarHBondContact O-CE2 3.44Å; F577-F596 AromaticContact CD2-CE1 3.79Å; F577-F596 HydrophobicContact CD2-CE1 3.79Å; F577-F596 HydrophobicContact CE2-CE1 4.29Å; F577-F596 HydrophobicContact CG-CE1 4.37Å; F577-F599 HydrophobicContact CD2-CE1 4.01Å; F577-F599 HydrophobicContact CE2-CE1 4.02Å; F577-F599 HydrophobicContact CE2-CZ 4.41Å
578	I	97.3	Very high	91.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.5	168.1	-57.9	173.3	0	0	0	108.9	V500 M502 V514 Y525 N526 L528 D580	V500-I578 HydrophobicContact CB-CG1 4.2Å; V500-I578 HydrophobicContact CB-CG2 4.49Å; V500-I578 HydrophobicContact CG2-CG1 4.46Å; V500-I578 CarbonylContact O-C 3.57Å; V500-I578 WeakPolarHBondContact O-CA 3.39Å; M502-I578 HydrophobicContact CG-CG2 4.05Å; M502-I578 HydrophobicContact SD-CG2 4.2Å; V514-I578 HydrophobicContact CB-CG2 4.43Å; V514-I578 HydrophobicContact CG1-CB 4.45Å; V514-I578 HydrophobicContact CG1-CD1 4.14Å; V514-I578 HydrophobicContact CG1-CG2 3.87Å; V514-I578 HydrophobicContact CG2-CG2 3.68Å; Y525-I578 HydrophobicContact CD1-CD1 4.04Å; Y525-I578 HydrophobicContact CD1-CG1 3.76Å; Y525-I578 HydrophobicContact CD2-CD1 4Å; Y525-I578 HydrophobicContact CE1-CG1 4.42Å; Y525-I578 HydrophobicContact CG-CD1 3.67Å; Y525-I578 HydrophobicContact CG-CG1 3.88Å; N526-I578 PolarHBondContact O-N 3.18Å; L528-I578 PolarHBondContact N-O 3.18Å; I578-D580 PolarHBondContact O-N 3.48Å
579	L	95.9	Very high	91.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	82	179.4	-51.5	-173.3	0	0	0	110.2	V499 V500 M501 M502 L528 I567 Q581 N583 K592 M593 F596	V499-L579 HydrophobicContact CG2-CD1 4.22Å; V499-L579 HydrophobicContact CG2-CG 4.09Å; V500-L579 PolarHBondContact O-N 2.91Å; M501-L579 HydrophobicContact CE-CD1 4.07Å; M502-L579 PolarHBondContact N-O 3Å; L528-L579 HydrophobicContact CB-CD2 3.99Å; L528-L579 HydrophobicContact CD1-CD2 3.75Å; L528-L579 HydrophobicContact CG-CD2 4.39Å; I567-L579 HydrophobicContact CD1-CD2 4.49Å; I567-L579 HydrophobicContact CG1-CD2 4.09Å; L579-Q581 VanDerWaalsContact C-N 3.3Å; L579-Q581 PolarHBondContact O-N 2.79Å; L579-N583 PolarHBondContact O-ND2 2.75Å; L579-K592 HydrophobicContact CD1-CB 4.43Å; L579-M593 HydrophobicContact CD1-CE 3.75Å; L579-F596 HydrophobicContact CD1-CE2 4.08Å; L579-F596 HydrophobicContact CD2-CZ 4.38Å
580	D	94.3	Very high	91.2	Very high	14 Å²	14	33 Å²	33	8%	0.075	17%	0.17	C	C	.	.			trans	-77.6	80.4	177.4	-169.8	26.1	0	0	0	111.7	M502 K510 T511 V514 L528 G529 I578	M502-D580 HydrophobicContact CG-CB 4.39Å; K510-D580 WeakPolarHBondContact CB-OD1 3.25Å; T511-D580 WeakPolarHBondContact CA-OD2 3.29Å; T511-D580 VanDerWaalsContact CB-OD2 3.24Å; T511-D580 WeakPolarHBondContact CB-OD2 3.28Å; T511-D580 WeakPolarHBondContact CG2-OD2 3.32Å; T511-D580 PolarHBondContact OG1-OD2 3.36Å; V514-D580 HydrophobicContact CG2-CB 4.16Å; L528-D580 PolarHBondContact O-N 3.34Å; G529-D580 VanDerWaalsContact CA-O 3.3Å; G529-D580 WeakPolarHBondContact CA-O 3.49Å; I578-D580 PolarHBondContact O-N 3.48Å
581	Q	88.6	Confident	90.8	Very high	37 Å²	37	34.7 Å²	34.7	17%	0.173	18%	0.176	C	C	.	.	S	Bend	trans	-138.8	164.6	174	-67	-166.7	-69.4	0	0	110.9	K510 L563 L579 N583	K510-Q581 VanDerWaalsContact CE-O 3.28Å; K510-Q581 WeakPolarHBondContact CE-O 3.4Å; L563-Q581 VanDerWaalsContact CD2-CD 3.43Å; L563-Q581 HydrophobicContact CD2-CG 3.65Å; L563-Q581 HydrophobicContact CG-CG 4.32Å; L579-Q581 VanDerWaalsContact C-N 3.3Å; L579-Q581 PolarHBondContact O-N 2.79Å; Q581-N583 PolarHBondContact O-N 3.25Å; Q581-N583 PolarHBondContact O-ND2 3.02Å; Q581-N583 VanDerWaalsContact O-ND2 3.1Å
582	T	85.4	Confident	90.7	Very high	31 Å²	31	35.2 Å²	35.2	19%	0.19	18%	0.178	C	C	.	.			trans	-76	68.9	174.5	-58.3	0	0	0	0	110.5	P506 K510 V584 M636	P506-T582 HydrophobicContact CG-CG2 3.98Å; K510-T582 PolarHBondContact NZ-OG1 3.25Å; T582-V584 HydrophobicContact CG2-CG1 3.66Å; T582-V584 HydrophobicContact CG2-CG2 4.15Å; T582-V584 PolarHBondContact O-N 3.04Å; T582-M636 HydrophobicContact CG2-CE 3.72Å; T582-M636 HydrophobicContact CG2-SD 3.93Å
583	N	89.8	Confident	90.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.			trans	-78	50	-176.4	-58.4	-69	0	0	0	112.9	M501 M502 I503 L579 Q581 Q589 K592	M501-N583 HydrophobicContact CG-CB 3.84Å; M501-N583 WeakPolarHBondContact CG-ND2 3.28Å; M501-N583 HydrophobicContact SD-CB 3.54Å; M501-N583 VanDerWaalsContact SD-CB 3.54Å; M502-N583 WeakPolarHBondContact O-CB 3.49Å; M502-N583 PolarHBondContact O-ND2 3.02Å; I503-N583 HydrophobicContact CG1-CB 4.15Å; L579-N583 PolarHBondContact O-ND2 2.75Å; Q581-N583 PolarHBondContact O-N 3.25Å; Q581-N583 PolarHBondContact O-ND2 3.02Å; Q581-N583 VanDerWaalsContact O-ND2 3.1Å; N583-Q589 HydrophobicContact CB-CG 4.43Å; N583-Q589 VanDerWaalsContact O-CG 3.28Å; N583-Q589 WeakPolarHBondContact O-CG 3.08Å; N583-Q589 PolarHBondContact O-NE2 2.95Å; N583-K592 WeakPolarHBondContact OD1-CD 3.45Å; N583-K592 PolarHBondContact OD1-NZ 3.38Å
584	V	90.1	Very high	90.8	Very high	9 Å²	9	25.5 Å²	25.5	6%	0.055	14%	0.144	C	C	.	.			trans	-75.6	-23.4	-169.2	-66.7	0	0	0	0	114.6	G504 L505 T582 F640 T641	G504-V584 WeakPolarHBondContact O-CG1 3.41Å; L505-V584 HydrophobicContact CD2-CG1 4.37Å; T582-V584 HydrophobicContact CG2-CG1 3.66Å; T582-V584 HydrophobicContact CG2-CG2 4.15Å; T582-V584 PolarHBondContact O-N 3.04Å; V584-F640 HydrophobicContact CB-CB 4.18Å; V584-F640 HydrophobicContact CB-CD2 3.9Å; V584-F640 HydrophobicContact CB-CG 4.02Å; V584-F640 HydrophobicContact CG1-CD1 4.34Å; V584-F640 HydrophobicContact CG1-CD2 4.01Å; V584-F640 HydrophobicContact CG1-CE2 4.34Å; V584-F640 HydrophobicContact CG1-CG 4.05Å; V584-F640 CarbonylContact O-C 3.48Å; V584-F640 WeakPolarHBondContact O-CA 3.24Å; V584-T641 PolarHBondContact O-N 2.64Å
585	S	89.2	Confident	90.7	Very high	27 Å²	27	23 Å²	23	19%	0.189	13%	0.134	C	C	.	.	S	Bend	trans	-97.2	137.5	-179.3	75	0	0	0	0	112.9	A587 A588 Q589	S585-A587 PolarHBondContact O-N 3.19Å; S585-A587 VanDerWaalsContact O-N 3.12Å; S585-A588 PolarHBondContact O-N 3.06Å; S585-A588 WeakPolarHBondContact OG-CB 3.35Å; S585-A588 PolarHBondContact OG-N 2.86Å; S585-Q589 WeakPolarHBondContact O-CG 3.24Å; S585-Q589 PolarHBondContact O-N 3.26Å
586	A	87.8	Confident	90.6	Very high	44 Å²	44	22.7 Å²	22.7	36%	0.364	13%	0.133	S	C	.	.	H	α-helix	trans	-57.4	-28.8	178.3	0	0	0	0	0	113.4	R590 T641	A586-R590 VanDerWaalsContact O-CB 3.29Å; A586-R590 WeakPolarHBondContact O-CB 3.45Å; A586-R590 PolarHBondContact O-N 2.93Å; A586-T641 HydrophobicContact CB-CG2 4.07Å
587	A	85.4	Confident	90.4	Very high	75 Å²	75	23.6 Å²	23.6	62%	0.62	14%	0.143	S	C	*	.	H	α-helix	trans	-67.4	-43	173.9	0	0	0	0	0	112.3	S585 R591	S585-A587 PolarHBondContact O-N 3.19Å; S585-A587 VanDerWaalsContact O-N 3.12Å; A587-R591 WeakPolarHBondContact O-CB 3.15Å; A587-R591 PolarHBondContact O-N 3.28Å
588	A	85.4	Confident	90	Very high	13 Å²	13	25.8 Å²	25.8	11%	0.107	17%	0.165	C	C	.	.	H	α-helix	trans	-69	-41.6	176.5	0	0	0	0	0	111.8	S585 R591 K592	S585-A588 PolarHBondContact O-N 3.06Å; S585-A588 WeakPolarHBondContact OG-CB 3.35Å; S585-A588 PolarHBondContact OG-N 2.86Å; A588-R591 PolarHBondContact O-N 3.08Å; A588-K592 WeakPolarHBondContact O-CG 3.36Å; A588-K592 PolarHBondContact O-N 3.36Å; A588-K592 VanDerWaalsContact O-N 3.14Å
589	Q	90.8	Very high	89.9	Confident	7 Å²	7	26.2 Å²	26.2	3%	0.033	17%	0.167	C	C	.	.	H	α-helix	trans	-55.5	-58.8	175.1	-67	163.1	11.6	0	0	110.9	M501 I503 N583 S585 R591 K592 M593 T641 F649	M501-Q589 HydrophobicContact SD-CB 4.06Å; M501-Q589 HydrophobicContact SD-CG 3.85Å; I503-Q589 HydrophobicContact CD1-CG 4.01Å; N583-Q589 HydrophobicContact CB-CG 4.43Å; N583-Q589 VanDerWaalsContact O-CG 3.28Å; N583-Q589 WeakPolarHBondContact O-CG 3.08Å; N583-Q589 PolarHBondContact O-NE2 2.95Å; S585-Q589 WeakPolarHBondContact O-CG 3.24Å; S585-Q589 PolarHBondContact O-N 3.26Å; Q589-R591 PolarHBondContact O-N 3.43Å; Q589-K592 PolarHBondContact O-N 3.28Å; Q589-M593 WeakPolarHBondContact O-CG 3.27Å; Q589-M593 PolarHBondContact O-N 3.24Å; Q589-T641 PolarHBondContact NE2-O 2.73Å; Q589-F649 HydrophobicContact CB-CE2 4.06Å; Q589-F649 HydrophobicContact CB-CZ 4.03Å; Q589-F649 HydrophobicContact CG-CZ 4.37Å
590	R	88.5	Confident	89.9	Confident	106 Å²	106	29.9 Å²	29.9	40%	0.4	18%	0.184	S	C	.	.	H	α-helix	trans	-57.4	-47.9	177.9	-179.9	174	-66	-99.6	2.9	112.1	A586 K592 M593 C594 E647	A586-R590 VanDerWaalsContact O-CB 3.29Å; A586-R590 WeakPolarHBondContact O-CB 3.45Å; A586-R590 PolarHBondContact O-N 2.93Å; R590-K592 VanDerWaalsContact C-N 3.29Å; R590-K592 PolarHBondContact O-N 2.93Å; R590-M593 PolarHBondContact O-N 2.81Å; R590-C594 WeakPolarHBondContact O-CB 3.38Å; R590-C594 PolarHBondContact O-N 3.14Å; R590-C594 PolarHBondContact O-SG 2.86Å; R590-E647 IonicContact CZ-OE2 2.78Å; R590-E647 IonicContact NH1-OE2 3.37Å; R590-E647 PolarHBondContact NH1-OE2 3.31Å; R590-E647 IonicContact NH2-OE2 3.89Å
591	R	85.1	Confident	90	Very high	35 Å²	35	30.9 Å²	30.9	13%	0.132	19%	0.186	C	C	.	.	H	α-helix	trans	-57.1	-41.1	-177.6	-171.4	-169.6	76.9	-133.5	0.5	112.5	E262 P272 A587 A588 Q589	E262-R591 IonicContact OE1-CZ 2.7Å; E262-R591 IonicContact OE1-NH2 3.44Å; E262-R591 PolarHBondContact OE1-NH2 3.46Å; E262-R591 IonicContact OE2-CZ 2.66Å; E262-R591 IonicContact OE2-NH1 2.65Å; E262-R591 PolarHBondContact OE2-NH1 2.97Å; E262-R591 IonicContact OE2-NH2 3.73Å; E262-R591 PolarHBondContact OE2-NH2 3.15Å; P272-R591 HydrophobicContact CG-CG 4.24Å; A587-R591 WeakPolarHBondContact O-CB 3.15Å; A587-R591 PolarHBondContact O-N 3.28Å; A588-R591 PolarHBondContact O-N 3.08Å; Q589-R591 PolarHBondContact O-N 3.43Å
592	K	90.4	Very high	90.4	Very high	10 Å²	10	30.9 Å²	30.9	4%	0.043	19%	0.186	C	C	.	.	H	α-helix	trans	-78.2	-45.7	-179.6	-66.5	173.3	-173.1	-179.3	0	111.5	M501 I567 L579 N583 A588 Q589 R590 C594 L595 F596	M501-K592 HydrophobicContact CE-CB 3.67Å; M501-K592 HydrophobicContact CE-CD 4.2Å; I567-K592 HydrophobicContact CD1-CD 4.18Å; L579-K592 HydrophobicContact CD1-CB 4.43Å; N583-K592 WeakPolarHBondContact OD1-CD 3.45Å; N583-K592 PolarHBondContact OD1-NZ 3.38Å; A588-K592 WeakPolarHBondContact O-CG 3.36Å; A588-K592 PolarHBondContact O-N 3.36Å; A588-K592 VanDerWaalsContact O-N 3.14Å; Q589-K592 PolarHBondContact O-N 3.28Å; R590-K592 VanDerWaalsContact C-N 3.29Å; R590-K592 PolarHBondContact O-N 2.93Å; K592-C594 VanDerWaalsContact C-N 3.29Å; K592-C594 PolarHBondContact O-N 2.98Å; K592-L595 WeakPolarHBondContact O-CB 3.3Å; K592-L595 PolarHBondContact O-N 3.08Å; K592-L595 VanDerWaalsContact O-N 3.1Å; K592-F596 WeakPolarHBondContact O-CD2 3.35Å
593	M	92.4	Very high	90.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.8	-20.9	-178.7	-61.4	-69.9	76.2	0	0	114.3	V499 M501 L579 Q589 R590 L595 F596 R601 C648 F649	V499-M593 HydrophobicContact CG1-CE 3.94Å; V499-M593 HydrophobicContact CG1-SD 4.31Å; V499-M593 HydrophobicContact CG2-CE 3.79Å; M501-M593 HydrophobicContact CB-SD 4.26Å; M501-M593 HydrophobicContact CE-CE 3.74Å; M501-M593 HydrophobicContact CE-CG 3.66Å; M501-M593 HydrophobicContact CE-SD 3.91Å; L579-M593 HydrophobicContact CD1-CE 3.75Å; Q589-M593 WeakPolarHBondContact O-CG 3.27Å; Q589-M593 PolarHBondContact O-N 3.24Å; R590-M593 PolarHBondContact O-N 2.81Å; M593-L595 VanDerWaalsContact C-N 3.26Å; M593-L595 PolarHBondContact O-N 3.26Å; M593-F596 HydrophobicContact CE-CD2 3.68Å; M593-F596 HydrophobicContact CE-CE2 4.18Å; M593-F596 HydrophobicContact CE-CG 4.44Å; M593-F596 PolarHBondContact O-N 3.49Å; M593-R601 HydrophobicContact SD-CB 3.92Å; M593-R601 HydrophobicContact SD-CG 4.27Å; M593-C648 HydrophobicContact CB-CB 4.33Å; M593-C648 WeakPolarHBondContact CB-O 3.16Å; M593-F649 HydrophobicContact CG-CD1 4.08Å; M593-F649 HydrophobicContact CG-CE1 3.47Å; M593-F649 VanDerWaalsContact CG-CE1 3.47Å; M593-F649 HydrophobicContact CG-CZ 3.81Å; M593-F649 HydrophobicContact SD-CD1 4.07Å; M593-F649 HydrophobicContact SD-CE1 3.57Å; M593-F649 VanDerWaalsContact SD-CE1 3.57Å; M593-F649 HydrophobicContact SD-CZ 4.43Å
594	C	90.2	Very high	91.3	Very high	34 Å²	34	29.7 Å²	29.7	23%	0.23	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.1	169.7	-73.5	0	0	0	0	113.8	R590 K592	R590-C594 WeakPolarHBondContact O-CB 3.38Å; R590-C594 PolarHBondContact O-N 3.14Å; R590-C594 PolarHBondContact O-SG 2.86Å; K592-C594 VanDerWaalsContact C-N 3.29Å; K592-C594 PolarHBondContact O-N 2.98Å
595	L	91.1	Very high	91.6	Very high	21 Å²	21	29.3 Å²	29.3	11%	0.11	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-41.7	177.2	-65.8	168.9	0	0	0	111	P272 P275 I567 E568 A571 K592 M593 A597	P272-L595 HydrophobicContact CB-CD2 3.65Å; P272-L595 HydrophobicContact CB-CG 4.45Å; P272-L595 HydrophobicContact CG-CD2 4.36Å; P275-L595 WeakPolarHBondContact CD-O 3.35Å; I567-L595 HydrophobicContact CG2-CD1 3.89Å; E568-L595 HydrophobicContact CG-CD1 4.5Å; A571-L595 HydrophobicContact CB-CB 3.72Å; K592-L595 WeakPolarHBondContact O-CB 3.3Å; K592-L595 PolarHBondContact O-N 3.08Å; K592-L595 VanDerWaalsContact O-N 3.1Å; M593-L595 VanDerWaalsContact C-N 3.26Å; M593-L595 PolarHBondContact O-N 3.26Å; L595-A597 PolarHBondContact O-N 3.38Å
596	F	93.4	Very high	92	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	34.8	178.4	-60.7	-88.1	0	0	0	112.9	V499 I567 A570 A571 F577 L579 K592 M593 G598 F599 R601	V499-F596 HydrophobicContact CB-CD1 4.12Å; V499-F596 HydrophobicContact CB-CE1 4.48Å; V499-F596 HydrophobicContact CB-CG 4.25Å; V499-F596 HydrophobicContact CG1-CB 3.78Å; V499-F596 HydrophobicContact CG1-CD1 4.2Å; V499-F596 HydrophobicContact CG1-CD2 4.4Å; V499-F596 HydrophobicContact CG1-CG 3.89Å; V499-F596 HydrophobicContact CG2-CD1 4.13Å; V499-F596 HydrophobicContact CG2-CD2 4.13Å; V499-F596 HydrophobicContact CG2-CE1 4.12Å; V499-F596 HydrophobicContact CG2-CE2 4.11Å; V499-F596 HydrophobicContact CG2-CG 4.15Å; V499-F596 HydrophobicContact CG2-CZ 4.11Å; I567-F596 HydrophobicContact CG2-CE2 3.94Å; I567-F596 HydrophobicContact CG2-CZ 4.34Å; A570-F596 HydrophobicContact CB-CE1 4.11Å; A570-F596 HydrophobicContact CB-CZ 4.06Å; A571-F596 HydrophobicContact CB-CD1 4.06Å; A571-F596 HydrophobicContact CB-CE1 4.04Å; A571-F596 HydrophobicContact CB-CG 4.31Å; A571-F596 HydrophobicContact CB-CZ 4.27Å; F577-F596 AromaticContact CD2-CE1 3.79Å; F577-F596 HydrophobicContact CD2-CE1 3.79Å; F577-F596 HydrophobicContact CE2-CE1 4.29Å; F577-F596 HydrophobicContact CG-CE1 4.37Å; L579-F596 HydrophobicContact CD1-CE2 4.08Å; L579-F596 HydrophobicContact CD2-CZ 4.38Å; K592-F596 WeakPolarHBondContact O-CD2 3.35Å; M593-F596 HydrophobicContact CE-CD2 3.68Å; M593-F596 HydrophobicContact CE-CE2 4.18Å; M593-F596 HydrophobicContact CE-CG 4.44Å; M593-F596 PolarHBondContact O-N 3.49Å; F596-G598 PolarHBondContact O-N 3.15Å; F596-F599 HydrophobicContact CB-CB 4.07Å; F596-F599 HydrophobicContact CB-CD2 3.78Å; F596-F599 HydrophobicContact CB-CE2 4.36Å; F596-F599 HydrophobicContact CB-CG 3.94Å; F596-F599 AromaticContact CD1-CD1 3.95Å; F596-F599 HydrophobicContact CD1-CD1 3.95Å; F596-F599 AromaticContact CD1-CD2 4Å; F596-F599 HydrophobicContact CD1-CD2 4Å; F596-F599 AromaticContact CD1-CE1 3.84Å; F596-F599 HydrophobicContact CD1-CE1 3.84Å; F596-F599 AromaticContact CD1-CE2 3.87Å; F596-F599 HydrophobicContact CD1-CE2 3.87Å; F596-F599 HydrophobicContact CD1-CG 4.04Å; F596-F599 AromaticContact CD1-CZ 3.81Å; F596-F599 HydrophobicContact CD1-CZ 3.81Å; F596-F599 HydrophobicContact CE1-CE1 4.38Å; F596-F599 HydrophobicContact CE1-CZ 4.4Å; F596-F599 HydrophobicContact CG-CD2 4.4Å; F596-F599 HydrophobicContact CG-CG 4.5Å; F596-F599 WeakPolarHBondContact O-CB 3.42Å; F596-F599 WeakPolarHBondContact O-CD2 3.45Å; F596-F599 PolarHBondContact O-N 2.95Å; F596-R601 HydrophobicContact CB-CG 4.38Å; F596-R601 WeakPolarHBondContact O-CD 2.92Å
597	A	90	Very high	92.4	Very high	33 Å²	33	26.3 Å²	26.3	27%	0.273	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	124.6	174.2	0	0	0	0	0	109.9	P274 K494 L595	P274-A597 HydrophobicContact CB-CB 3.8Å; P274-A597 HydrophobicContact CG-CB 4.34Å; K494-A597 WeakPolarHBondContact CE-O 3.33Å; K494-A597 PolarHBondContact NZ-O 2.99Å; L595-A597 PolarHBondContact O-N 3.38Å
598	G	90	Very high	92.8	Very high	45 Å²	45	22.9 Å²	22.9	46%	0.464	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	-3.9	-174.5	0	0	0	0	0	115.2	K494 K495 F596	K494-G598 CarbonylContact C-O 3.57Å; K495-G598 VanDerWaalsContact CA-O 3.22Å; K495-G598 WeakPolarHBondContact CA-O 3.4Å; K495-G598 PolarHBondContact N-O 2.94Å; F596-G598 PolarHBondContact O-N 3.15Å
599	F	95.3	Very high	93.3	Very high	10 Å²	10	28.3 Å²	28.3	4%	0.044	15%	0.145	C	C	.	.	S	Bend	trans	-89	163.1	166.8	-70.2	-118.5	0	0	0	110.6	K494 C497 V499 R575 F577 F596 R601	K494-F599 HydrophobicContact CD-CD2 4.37Å; K494-F599 HydrophobicContact CD-CE2 4.25Å; K494-F599 HydrophobicContact CG-CD2 3.82Å; K494-F599 HydrophobicContact CG-CE2 3.76Å; K494-F599 HydrophobicContact CG-CZ 4.48Å; C497-F599 HydrophobicContact CB-CD1 3.31Å; C497-F599 HydrophobicContact CB-CE1 3.47Å; C497-F599 VanDerWaalsContact CB-CE1 3.47Å; C497-F599 HydrophobicContact CB-CG 4.11Å; C497-F599 HydrophobicContact CB-CZ 4.37Å; C497-F599 WeakPolarHBondContact O-CA 3.33Å; C497-F599 WeakPolarHBondContact O-CB 3.21Å; V499-F599 HydrophobicContact CB-CD1 4.49Å; V499-F599 HydrophobicContact CG1-CB 4.04Å; R575-F599 WeakPolarHBondContact O-CE1 3.15Å; F577-F599 HydrophobicContact CD2-CE1 4.01Å; F577-F599 HydrophobicContact CE2-CE1 4.02Å; F577-F599 HydrophobicContact CE2-CZ 4.41Å; F596-F599 HydrophobicContact CB-CB 4.07Å; F596-F599 HydrophobicContact CB-CD2 3.78Å; F596-F599 HydrophobicContact CB-CE2 4.36Å; F596-F599 HydrophobicContact CB-CG 3.94Å; F596-F599 AromaticContact CD1-CD1 3.95Å; F596-F599 HydrophobicContact CD1-CD1 3.95Å; F596-F599 AromaticContact CD1-CD2 4Å; F596-F599 HydrophobicContact CD1-CD2 4Å; F596-F599 AromaticContact CD1-CE1 3.84Å; F596-F599 HydrophobicContact CD1-CE1 3.84Å; F596-F599 AromaticContact CD1-CE2 3.87Å; F596-F599 HydrophobicContact CD1-CE2 3.87Å; F596-F599 HydrophobicContact CD1-CG 4.04Å; F596-F599 AromaticContact CD1-CZ 3.81Å; F596-F599 HydrophobicContact CD1-CZ 3.81Å; F596-F599 HydrophobicContact CE1-CE1 4.38Å; F596-F599 HydrophobicContact CE1-CZ 4.4Å; F596-F599 HydrophobicContact CG-CD2 4.4Å; F596-F599 HydrophobicContact CG-CG 4.5Å; F596-F599 WeakPolarHBondContact O-CB 3.42Å; F596-F599 WeakPolarHBondContact O-CD2 3.45Å; F596-F599 PolarHBondContact O-N 2.95Å; F599-R601 HydrophobicContact CB-CG 4.39Å; F599-R601 PolarHBondContact O-N 2.63Å
600	Q	95.5	Very high	93.4	Very high	77 Å²	77	29.3 Å²	29.3	36%	0.36	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	111.5	162.3	-61.8	171.8	31.7	0	0	108.9	K495 C497 V499	K495-Q600 WeakPolarHBondContact O-CG 3.41Å; K495-Q600 PolarHBondContact O-NE2 2.84Å; C497-Q600 PolarHBondContact O-N 3.03Å; V499-Q600 PolarHBondContact N-O 2.62Å
601	R	96.1	Very high	93.6	Very high	34 Å²	34	29.4 Å²	29.4	13%	0.128	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	110	-171.7	-60.1	154.7	-58.2	155	13.1	110.4	V499 M593 F596 F599 E647 F649 D650	V499-R601 HydrophobicContact CG1-CB 4.1Å; V499-R601 HydrophobicContact CG1-CG 3.64Å; M593-R601 HydrophobicContact SD-CB 3.92Å; M593-R601 HydrophobicContact SD-CG 4.27Å; F596-R601 HydrophobicContact CB-CG 4.38Å; F596-R601 WeakPolarHBondContact O-CD 2.92Å; F599-R601 HydrophobicContact CB-CG 4.39Å; F599-R601 PolarHBondContact O-N 2.63Å; R601-E647 PolarHBondContact NH1-O 3.21Å; R601-E647 PolarHBondContact NH2-O 3.19Å; R601-F649 WeakPolarHBondContact O-CA 3.39Å; R601-D650 WeakPolarHBondContact CB-OD2 3.47Å; R601-D650 IonicContact CZ-OD1 2.68Å; R601-D650 IonicContact CZ-OD2 3.47Å; R601-D650 PolarHBondContact N-OD2 3.21Å; R601-D650 IonicContact NE-OD1 2.87Å; R601-D650 IonicContact NE-OD2 2.67Å; R601-D650 PolarHBondContact NE-OD2 2.94Å; R601-D650 IonicContact NH2-OD1 2.79Å; R601-D650 PolarHBondContact NH2-OD1 3.17Å; R601-D650 IonicContact NH2-OD2 2.66Å; R601-D650 PolarHBondContact NH2-OD2 3.02Å; R601-D650 PolarHBondContact O-N 2.8Å
602	K	96.6	Very high	94	Very high	37 Å²	37	30.4 Å²	30.4	16%	0.161	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	148.2	-174.8	-50.8	-164.9	178.1	-173.2	0	111.1	E498 V499 M501 E651	E498-K602 HydrophobicContact CG-CD 4.14Å; E498-K602 HydrophobicContact CG-CG 4.48Å; E498-K602 WeakPolarHBondContact OE1-CD 3.36Å; E498-K602 WeakPolarHBondContact OE1-CE 3.43Å; E498-K602 IonicContact OE1-NZ 2.74Å; E498-K602 PolarHBondContact OE1-NZ 3.47Å; V499-K602 PolarHBondContact O-N 2.63Å; M501-K602 PolarHBondContact N-O 3.12Å; K602-E651 CarbonylContact C-O 3.47Å; K602-E651 WeakPolarHBondContact CA-O 3.47Å; K602-E651 HydrophobicContact CB-CB 4.37Å; K602-E651 HydrophobicContact CD-CB 4.15Å; K602-E651 VanDerWaalsContact CD-OE2 3.24Å; K602-E651 WeakPolarHBondContact CD-OE2 3.4Å; K602-E651 WeakPolarHBondContact CE-OE2 3.32Å; K602-E651 HydrophobicContact CG-CB 3.97Å; K602-E651 IonicContact NZ-OE2 3.68Å; K602-E651 PolarHBondContact NZ-OE2 2.99Å
603	A	96.8	Very high	94.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.9	171.5	0	0	0	0	0	110.8	I503 P643 F649 E651 I652 T653	I503-A603 HydrophobicContact CD1-CB 3.93Å; A603-P643 HydrophobicContact CB-CB 3.98Å; A603-P643 HydrophobicContact CB-CG 3.86Å; A603-F649 HydrophobicContact CB-CD1 3.76Å; A603-F649 HydrophobicContact CB-CD2 4.47Å; A603-F649 HydrophobicContact CB-CE1 3.69Å; A603-F649 HydrophobicContact CB-CE2 4.43Å; A603-F649 HydrophobicContact CB-CG 4.15Å; A603-F649 HydrophobicContact CB-CZ 4.04Å; A603-E651 PolarHBondContact N-O 3.34Å; A603-I652 HydrophobicContact CB-CG1 4.07Å; A603-I652 HydrophobicContact CB-CG2 4.31Å; A603-I652 WeakPolarHBondContact O-CA 3.37Å; A603-T653 PolarHBondContact O-N 3.42Å
604	V	97.4	Very high	94.1	Very high	7 Å²	7	35 Å²	35	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.2	173.6	176.2	0	0	0	0	108.6	V500 M501 M502 I503 W513 V606 V655	V500-V604 HydrophobicContact CG1-CB 4.28Å; V500-V604 HydrophobicContact CG1-CG2 3.52Å; M501-V604 PolarHBondContact O-N 3.1Å; M502-V604 HydrophobicContact CE-CB 4Å; M502-V604 HydrophobicContact CE-CG1 3.7Å; M502-V604 HydrophobicContact SD-CB 3.94Å; M502-V604 HydrophobicContact SD-CG1 4.25Å; I503-V604 PolarHBondContact N-O 2.95Å; W513-V604 HydrophobicContact CD2-CG1 3.93Å; W513-V604 HydrophobicContact CE3-CG1 4.17Å; W513-V604 HydrophobicContact CH2-CB 4.49Å; W513-V604 HydrophobicContact CH2-CG1 4.27Å; W513-V604 HydrophobicContact CH2-CG2 3.78Å; W513-V604 HydrophobicContact CZ2-CG1 4.01Å; W513-V604 HydrophobicContact CZ2-CG2 4.01Å; W513-V604 HydrophobicContact CZ3-CG1 4.34Å; W513-V604 HydrophobicContact CZ3-CG2 4.21Å; V604-V606 HydrophobicContact CG1-CG2 4.35Å; V604-V655 HydrophobicContact CG1-CG2 3.47Å; V604-V655 VanDerWaalsContact CG1-CG2 3.47Å
605	V	96.9	Very high	94.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	110	-177.7	-176.3	0	0	0	0	109.5	I503 C607 L642 P643 I652 T653 Y654 V655	I503-V605 HydrophobicContact CB-CG2 4.47Å; I503-V605 WeakPolarHBondContact O-CA 3.43Å; V605-C607 HydrophobicContact CG1-CB 4.09Å; V605-L642 HydrophobicContact CG1-CD2 4.01Å; V605-P643 HydrophobicContact CG2-CG 3.61Å; V605-I652 HydrophobicContact CG2-CG2 4.25Å; V605-T653 PolarHBondContact N-O 3.29Å; V605-Y654 HydrophobicContact CB-CD1 3.85Å; V605-Y654 HydrophobicContact CB-CE1 4.01Å; V605-Y654 HydrophobicContact CB-CG 4.36Å; V605-Y654 HydrophobicContact CG1-CD1 3.92Å; V605-Y654 HydrophobicContact CG1-CE1 3.94Å; V605-Y654 HydrophobicContact CG2-CD1 4.27Å; V605-Y654 HydrophobicContact CG2-CE1 3.97Å; V605-V655 PolarHBondContact O-N 3.16Å
606	V	96.8	Very high	94.2	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	21%	0.211	C	C	.	.			trans	-101.3	94.4	172.4	-176.6	0	0	0	0	107.8	M502 I503 G504 A508 K510 W513 V604 V655 E656	M502-V606 HydrophobicContact CE-CG2 3.86Å; I503-V606 PolarHBondContact O-N 3.05Å; G504-V606 WeakPolarHBondContact CA-O 3.44Å; A508-V606 HydrophobicContact CB-CG1 4.35Å; A508-V606 WeakPolarHBondContact O-CG1 3.15Å; K510-V606 HydrophobicContact CG-CB 4.24Å; K510-V606 HydrophobicContact CG-CG2 4.47Å; W513-V606 HydrophobicContact CB-CG2 4.42Å; V604-V606 HydrophobicContact CG1-CG2 4.35Å; V606-V655 HydrophobicContact CG2-CG2 4.2Å; V606-E656 WeakPolarHBondContact CG1-OE1 3.5Å
607	C	95.7	Very high	93.9	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.034	22%	0.218	C	C	.	.			trans	-127.7	87.9	179.4	-166.3	0	0	0	0	109.7	V605 E656 L657 A662	V605-C607 HydrophobicContact CG1-CB 4.09Å; C607-E656 WeakPolarHBondContact O-CB 3.36Å; C607-L657 WeakPolarHBondContact O-CB 3.47Å; C607-L657 VanDerWaalsContact O-CG 3.26Å; C607-L657 WeakPolarHBondContact O-CG 3.3Å; C607-L657 PolarHBondContact O-N 2.78Å; C607-L657 VanDerWaalsContact O-N 3.1Å; C607-A662 HydrophobicContact CB-CB 4.32Å
608	P	95.4	Very high	93.8	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.026	23%	0.232	C	C	.	.			trans	-63.6	172.2	167.2	23.2	-31.6	0	0	0	112.4	A508 D612 Y613 E656 L657	A508-P608 HydrophobicContact CB-CG 4.22Å; P608-D612 HydrophobicContact CB-CB 3.91Å; P608-Y613 HydrophobicContact CG-CD2 4.29Å; P608-E656 WeakPolarHBondContact CD-OE1 3.48Å; P608-L657 WeakPolarHBondContact O-CD1 3.42Å
609	K	95.2	Very high	93.7	Very high	127 Å²	127	52.8 Å²	52.8	55%	0.552	24%	0.24	S	C	*	.			trans	-66.2	157.2	165.3	-60.3	167	-175.7	169.6	0	109.9	E611 D612 Y613 L657	K609-E611 VanDerWaalsContact C-N 3.28Å; K609-E611 PolarHBondContact O-N 3.45Å; K609-D612 HydrophobicContact CB-CB 4.5Å; K609-D612 WeakPolarHBondContact CB-OD2 3.43Å; K609-D612 PolarHBondContact O-N 2.88Å; K609-Y613 VanDerWaalsContact O-CB 3.26Å; K609-Y613 WeakPolarHBondContact O-CB 3.45Å; K609-Y613 PolarHBondContact O-N 2.81Å; K609-L657 HydrophobicContact CG-CD1 4.43Å; K609-L657 HydrophobicContact CG-CD2 3.86Å; K609-L657 HydrophobicContact CG-CG 4.35Å
610	D	93	Very high	93.2	Very high	27 Å²	27	56.3 Å²	56.3	14%	0.144	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-33.9	-178.6	-169.4	68.4	0	0	0	112.6	Y613 K614 K637 L665 Y669	D610-Y613 WeakPolarHBondContact O-CB 3.01Å; D610-Y613 PolarHBondContact O-N 3.44Å; D610-K614 WeakPolarHBondContact O-CB 3.48Å; D610-K614 WeakPolarHBondContact O-CD 3.4Å; D610-K614 VanDerWaalsContact O-CG 3.24Å; D610-K614 WeakPolarHBondContact O-CG 3.46Å; D610-K614 PolarHBondContact O-N 2.67Å; D610-K614 WeakPolarHBondContact OD2-CE 3.49Å; D610-K614 IonicContact OD2-NZ 3.67Å; D610-K614 PolarHBondContact OD2-NZ 2.97Å; D610-K637 IonicContact OD1-NZ 3.36Å; D610-K637 PolarHBondContact OD1-NZ 3.35Å; D610-L665 HydrophobicContact CB-CD1 4.14Å; D610-Y669 HydrophobicContact CB-CE1 4.26Å; D610-Y669 VanDerWaalsContact OD1-CE1 3.24Å; D610-Y669 WeakPolarHBondContact OD1-CE1 3.35Å; D610-Y669 PolarHBondContact OD1-OH 2.8Å; D610-Y669 VanDerWaalsContact OD1-OH 3.06Å
611	E	93.3	Very high	92.6	Very high	109 Å²	109	53.7 Å²	53.7	51%	0.509	25%	0.247	S	C	.	.	H	α-helix	trans	-68.7	-46.5	174.5	-56.6	-47.2	133.6	0	0	112.7	K609 Y613 K614 Q615	K609-E611 VanDerWaalsContact C-N 3.28Å; K609-E611 PolarHBondContact O-N 3.45Å; E611-Y613 PolarHBondContact O-N 3.48Å; E611-K614 PolarHBondContact O-N 3.42Å; E611-K614 IonicContact OE1-NZ 2.76Å; E611-K614 PolarHBondContact OE1-NZ 3.12Å; E611-K614 WeakPolarHBondContact OE2-CD 3.44Å; E611-K614 IonicContact OE2-NZ 2.65Å; E611-K614 PolarHBondContact OE2-NZ 3.4Å; E611-Q615 WeakPolarHBondContact O-CG 3.48Å; E611-Q615 PolarHBondContact O-N 2.68Å
612	D	93.8	Very high	92.1	Very high	55 Å²	55	58 Å²	58	29%	0.294	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-34.9	173.5	-55.9	-36.7	0	0	0	110.7	P608 K609 R616	P608-D612 HydrophobicContact CB-CB 3.91Å; K609-D612 HydrophobicContact CB-CB 4.5Å; K609-D612 WeakPolarHBondContact CB-OD2 3.43Å; K609-D612 PolarHBondContact O-N 2.88Å; D612-R616 WeakPolarHBondContact O-CB 3.47Å; D612-R616 WeakPolarHBondContact O-CG 3.21Å; D612-R616 PolarHBondContact O-N 3.13Å
613	Y	93.6	Very high	91.4	Very high	10 Å²	10	61.7 Å²	61.7	4%	0.039	29%	0.294	C	S	.	.	H	α-helix	trans	-67.5	-46.6	176.6	179.1	-110.5	0	0	0	112.3	L505 P506 A508 P608 K609 D610 E611 R616 T617 V633	L505-Y613 HydrophobicContact CB-CE2 3.63Å; L505-Y613 HydrophobicContact CD1-CD1 4.38Å; L505-Y613 HydrophobicContact CD1-CE1 3.86Å; L505-Y613 HydrophobicContact CD1-CE2 4.09Å; P506-Y613 WeakPolarHBondContact O-CE2 3.47Å; P506-Y613 PolarHBondContact O-OH 2.96Å; A508-Y613 HydrophobicContact CB-CD2 4.13Å; A508-Y613 HydrophobicContact CB-CE2 4.12Å; P608-Y613 HydrophobicContact CG-CD2 4.29Å; K609-Y613 VanDerWaalsContact O-CB 3.26Å; K609-Y613 WeakPolarHBondContact O-CB 3.45Å; K609-Y613 PolarHBondContact O-N 2.81Å; D610-Y613 WeakPolarHBondContact O-CB 3.01Å; D610-Y613 PolarHBondContact O-N 3.44Å; E611-Y613 PolarHBondContact O-N 3.48Å; Y613-R616 PolarHBondContact O-N 3.36Å; Y613-T617 VanDerWaalsContact O-CB 3.3Å; Y613-T617 WeakPolarHBondContact O-CB 3.34Å; Y613-T617 PolarHBondContact O-N 3.01Å; Y613-T617 PolarHBondContact O-OG1 3.43Å; Y613-V633 HydrophobicContact CE1-CG1 4.47Å
614	K	91.1	Very high	90.4	Very high	96 Å²	96	66.1 Å²	66.1	42%	0.417	32%	0.315	S	S	.	.	H	α-helix	trans	-56	-53.2	173.1	-76.8	155.4	168.6	152.4	0	110.3	D610 E611 R616 T617 Q618	D610-K614 WeakPolarHBondContact O-CB 3.48Å; D610-K614 WeakPolarHBondContact O-CD 3.4Å; D610-K614 VanDerWaalsContact O-CG 3.24Å; D610-K614 WeakPolarHBondContact O-CG 3.46Å; D610-K614 PolarHBondContact O-N 2.67Å; D610-K614 WeakPolarHBondContact OD2-CE 3.49Å; D610-K614 IonicContact OD2-NZ 3.67Å; D610-K614 PolarHBondContact OD2-NZ 2.97Å; E611-K614 PolarHBondContact O-N 3.42Å; E611-K614 IonicContact OE1-NZ 2.76Å; E611-K614 PolarHBondContact OE1-NZ 3.12Å; E611-K614 WeakPolarHBondContact OE2-CD 3.44Å; E611-K614 IonicContact OE2-NZ 2.65Å; E611-K614 PolarHBondContact OE2-NZ 3.4Å; K614-R616 PolarHBondContact O-N 2.96Å; K614-T617 PolarHBondContact O-N 3.45Å; K614-T617 VanDerWaalsContact O-N 3.12Å; K614-Q618 WeakPolarHBondContact O-CB 3.42Å; K614-Q618 PolarHBondContact O-N 3.34Å
615	Q	90.9	Very high	89.1	Confident	126 Å²	126	69.1 Å²	69.1	59%	0.589	35%	0.347	S	S	*	.	H	α-helix	trans	-59.1	-45.8	-179.8	-69.7	174.9	21.2	0	0	112.6	E611 T617 K619	E611-Q615 WeakPolarHBondContact O-CG 3.48Å; E611-Q615 PolarHBondContact O-N 2.68Å; Q615-T617 VanDerWaalsContact C-N 3.31Å; Q615-T617 PolarHBondContact O-N 3.19Å; Q615-K619 VanDerWaalsContact O-CB 3.29Å; Q615-K619 WeakPolarHBondContact O-CB 3.08Å; Q615-K619 PolarHBondContact O-N 2.79Å
616	R	91.4	Very high	87.9	Confident	90 Å²	90	75.3 Å²	75.3	34%	0.34	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-37.3	175.6	-72.4	172.7	-162.6	179.2	10.9	112.4	A508 D612 Y613 K614 K620 E656	A508-R616 PolarHBondContact O-NH1 3Å; D612-R616 WeakPolarHBondContact O-CB 3.47Å; D612-R616 WeakPolarHBondContact O-CG 3.21Å; D612-R616 PolarHBondContact O-N 3.13Å; Y613-R616 PolarHBondContact O-N 3.36Å; K614-R616 PolarHBondContact O-N 2.96Å; R616-K620 WeakPolarHBondContact O-CB 3.04Å; R616-K620 PolarHBondContact O-N 2.61Å; R616-E656 IonicContact CZ-OE1 2.67Å; R616-E656 IonicContact CZ-OE2 2.63Å; R616-E656 VanDerWaalsContact CZ-OE2 3.31Å; R616-E656 VanDerWaalsContact NH1-CD 3.3Å; R616-E656 IonicContact NH1-OE1 3.95Å; R616-E656 PolarHBondContact NH1-OE1 2.77Å; R616-E656 IonicContact NH1-OE2 3.13Å; R616-E656 PolarHBondContact NH1-OE2 2.95Å; R616-E656 IonicContact NH2-OE1 2.66Å; R616-E656 IonicContact NH2-OE2 2.68Å; R616-E656 PolarHBondContact NH2-OE2 3.39Å
617	T	87.4	Confident	86.7	Confident	23 Å²	23	81 Å²	81	14%	0.141	40%	0.404	C	S	.	.	H	α-helix	trans	-74.4	-43.8	-178.4	-55.7	0	0	0	0	111.2	Y613 K614 Q615 K620 A621	Y613-T617 VanDerWaalsContact O-CB 3.3Å; Y613-T617 WeakPolarHBondContact O-CB 3.34Å; Y613-T617 PolarHBondContact O-N 3.01Å; Y613-T617 PolarHBondContact O-OG1 3.43Å; K614-T617 PolarHBondContact O-N 3.45Å; K614-T617 VanDerWaalsContact O-N 3.12Å; Q615-T617 VanDerWaalsContact C-N 3.31Å; Q615-T617 PolarHBondContact O-N 3.19Å; T617-K620 WeakPolarHBondContact O-CB 3.12Å; T617-K620 PolarHBondContact O-N 3.21Å; T617-A621 PolarHBondContact O-N 3.03Å
618	Q	86.8	Confident	85.8	Confident	120 Å²	120	84.3 Å²	84.3	56%	0.561	42%	0.421	S	S	*	.	H	α-helix	trans	-59.4	-55	172.8	177.5	-178.6	-16.3	0	0	111	K614 K620 A621 E622	K614-Q618 WeakPolarHBondContact O-CB 3.42Å; K614-Q618 PolarHBondContact O-N 3.34Å; Q618-K620 PolarHBondContact O-N 2.78Å; Q618-K620 VanDerWaalsContact O-N 3.13Å; Q618-A621 PolarHBondContact O-N 2.83Å; Q618-E622 HydrophobicContact CG-CG 4.41Å; Q618-E622 VanDerWaalsContact CG-OE1 3.27Å; Q618-E622 WeakPolarHBondContact CG-OE1 3.47Å; Q618-E622 PolarHBondContact NE2-OE1 3.3Å; Q618-E622 WeakPolarHBondContact O-CG 3.13Å; Q618-E622 PolarHBondContact O-N 2.9Å
619	K	87.9	Confident	85.1	Confident	148 Å²	148	87.2 Å²	87.2	64%	0.643	44%	0.44	S	S	*	.	H	α-helix	trans	-59	-29.8	178.2	-171.2	171	-174.6	172.2	0	112.3	Q615 E622 V623	Q615-K619 VanDerWaalsContact O-CB 3.29Å; Q615-K619 WeakPolarHBondContact O-CB 3.08Å; Q615-K619 PolarHBondContact O-N 2.79Å; K619-E622 WeakPolarHBondContact CA-OE2 3.29Å; K619-V623 VanDerWaalsContact O-CG2 3.3Å; K619-V623 WeakPolarHBondContact O-CG2 3.07Å; K619-V623 PolarHBondContact O-N 3.13Å
620	K	84.9	Confident	84.5	Confident	85 Å²	85	88.3 Å²	88.3	37%	0.37	45%	0.447	S	S	.	.	H	α-helix	trans	-69.4	-46.2	172	-172.1	177.2	-167.1	-141.6	0	112.3	R616 T617 Q618 E622 V623 E624	R616-K620 WeakPolarHBondContact O-CB 3.04Å; R616-K620 PolarHBondContact O-N 2.61Å; T617-K620 WeakPolarHBondContact O-CB 3.12Å; T617-K620 PolarHBondContact O-N 3.21Å; Q618-K620 PolarHBondContact O-N 2.78Å; Q618-K620 VanDerWaalsContact O-N 3.13Å; K620-E622 VanDerWaalsContact C-N 3.33Å; K620-V623 PolarHBondContact O-N 3.47Å; K620-E624 WeakPolarHBondContact CE-OE1 3.4Å; K620-E624 WeakPolarHBondContact CE-OE2 3.45Å; K620-E624 IonicContact NZ-OE1 2.68Å; K620-E624 PolarHBondContact NZ-OE1 3.1Å; K620-E624 IonicContact NZ-OE2 2.64Å; K620-E624 PolarHBondContact NZ-OE2 3.29Å; K620-E624 PolarHBondContact O-N 2.66Å
621	A	84.4	Confident	84	Confident	21 Å²	21	90.9 Å²	90.9	17%	0.174	46%	0.458	C	S	.	.	H	α-helix	trans	-63.1	-39.6	178.5	0	0	0	0	0	111.9	T617 Q618 V623 G625 K626 D627	T617-A621 PolarHBondContact O-N 3.03Å; Q618-A621 PolarHBondContact O-N 2.83Å; A621-V623 PolarHBondContact O-N 2.93Å; A621-G625 WeakPolarHBondContact O-CA 3.24Å; A621-G625 PolarHBondContact O-N 3.41Å; A621-K626 PolarHBondContact O-N 2.63Å; A621-D627 HydrophobicContact CB-CB 4.08Å
622	E	85.1	Confident	83.5	Confident	125 Å²	125	87 Å²	87	58%	0.584	44%	0.444	S	S	*	.	H	α-helix	trans	-59.6	-41	173.7	-70.5	166.4	175.8	0	0	112.4	Q618 K619 K620	Q618-E622 HydrophobicContact CG-CG 4.41Å; Q618-E622 VanDerWaalsContact CG-OE1 3.27Å; Q618-E622 WeakPolarHBondContact CG-OE1 3.47Å; Q618-E622 PolarHBondContact NE2-OE1 3.3Å; Q618-E622 WeakPolarHBondContact O-CG 3.13Å; Q618-E622 PolarHBondContact O-N 2.9Å; K619-E622 WeakPolarHBondContact CA-OE2 3.29Å; K620-E622 VanDerWaalsContact C-N 3.33Å
623	V	81.8	Confident	83.2	Confident	115 Å²	115	85.5 Å²	85.5	70%	0.697	44%	0.437	S	S	*	.	H	α-helix	trans	-84.3	-39.6	-177.8	172	0	0	0	0	113.5	K619 K620 A621	K619-V623 VanDerWaalsContact O-CG2 3.3Å; K619-V623 WeakPolarHBondContact O-CG2 3.07Å; K619-V623 PolarHBondContact O-N 3.13Å; K620-V623 PolarHBondContact O-N 3.47Å; A621-V623 PolarHBondContact O-N 2.93Å
624	E	75.8	Confident	82.9	Confident	92 Å²	92	86.1 Å²	86.1	43%	0.43	44%	0.441	S	S	.	.	H	α-helix	trans	-88.8	-6.7	-179.4	-75.1	-170.8	-171.1	0	0	113.9	K620 K626	K620-E624 WeakPolarHBondContact CE-OE1 3.4Å; K620-E624 WeakPolarHBondContact CE-OE2 3.45Å; K620-E624 IonicContact NZ-OE1 2.68Å; K620-E624 PolarHBondContact NZ-OE1 3.1Å; K620-E624 IonicContact NZ-OE2 2.64Å; K620-E624 PolarHBondContact NZ-OE2 3.29Å; K620-E624 PolarHBondContact O-N 2.66Å; E624-K626 HydrophobicContact CB-CB 4.44Å; E624-K626 WeakPolarHBondContact O-CG 3.5Å; E624-K626 PolarHBondContact O-N 3.02Å
625	G	69.2	Low	82.7	Confident	70 Å²	70	83.2 Å²	83.2	72%	0.722	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	20.3	-175.7	0	0	0	0	0	113.9	A621	A621-G625 WeakPolarHBondContact O-CA 3.24Å; A621-G625 PolarHBondContact O-N 3.41Å
626	K	71.8	Confident	82.5	Confident	130 Å²	130	78.4 Å²	78.4	57%	0.565	41%	0.407	S	S	*	.			trans	-140.8	93.9	-166.8	-73.5	167.3	-172.3	164.5	0	110.5	A621 E624	A621-K626 PolarHBondContact O-N 2.63Å; E624-K626 HydrophobicContact CB-CB 4.44Å; E624-K626 WeakPolarHBondContact O-CG 3.5Å; E624-K626 PolarHBondContact O-N 3.02Å
627	D	72.7	Confident	82.5	Confident	122 Å²	122	75 Å²	75	65%	0.652	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-76.9	154.1	170.6	-166.1	19.5	0	0	0	111.8	A621	A621-D627 HydrophobicContact CB-CB 4.08Å
628	L	75.6	Confident	82.5	Confident	75 Å²	75	75 Å²	75	39%	0.393	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-97.8	121.8	179.1	-72.4	170.8	0	0	0	109.8	P506 E630 V633	P506-L628 HydrophobicContact CB-CD1 3.46Å; P506-L628 VanDerWaalsContact CB-CD1 3.46Å; P506-L628 HydrophobicContact CG-CD1 4.18Å; L628-E630 PolarHBondContact O-N 3.37Å; L628-E630 VanDerWaalsContact O-N 3.15Å; L628-V633 HydrophobicContact CB-CG2 3.87Å
629	P	81.6	Confident	82.6	Confident	65 Å²	65	71.7 Å²	71.7	42%	0.422	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-50.2	123.3	-177.2	-30.1	35.4	0	0	0	112.7	H631 A632 V633	P629-H631 VanDerWaalsContact C-N 3.27Å; P629-H631 PolarHBondContact O-N 3.42Å; P629-H631 VanDerWaalsContact O-N 3.13Å; P629-A632 WeakPolarHBondContact O-CA 3.22Å; P629-A632 VanDerWaalsContact O-CB 3.27Å; P629-A632 WeakPolarHBondContact O-CB 3.37Å; P629-A632 PolarHBondContact O-N 3.02Å; P629-V633 PolarHBondContact O-N 3.23Å
630	E	82.4	Confident	82.8	Confident	150 Å²	150	64.7 Å²	64.7	70%	0.701	35%	0.354	S	S	*	.	H	α-helix	trans	-50.8	-44.7	-171.5	-170.6	-163.6	176.6	0	0	112.5	L628 A632 V633 L634	L628-E630 PolarHBondContact O-N 3.37Å; L628-E630 VanDerWaalsContact O-N 3.15Å; E630-A632 PolarHBondContact O-N 2.91Å; E630-V633 PolarHBondContact O-N 2.99Å; E630-V633 VanDerWaalsContact O-N 3.08Å; E630-L634 HydrophobicContact CG-CD1 4Å; E630-L634 HydrophobicContact CG-CG 4.36Å; E630-L634 WeakPolarHBondContact O-CB 3.43Å; E630-L634 WeakPolarHBondContact O-CG 3.42Å; E630-L634 PolarHBondContact O-N 2.64Å
631	H	83.3	Confident	83.1	Confident	81 Å²	81	63.4 Å²	63.4	38%	0.375	35%	0.353	S	S	.	.	H	α-helix	trans	-54.8	-35.6	175.2	166.6	-74.8	0	0	0	113.2	R255 P629 K635 L677	R255-H631 PolarHBondContact NH2-CE1 3.23Å; P629-H631 VanDerWaalsContact C-N 3.27Å; P629-H631 PolarHBondContact O-N 3.42Å; P629-H631 VanDerWaalsContact O-N 3.13Å; H631-K635 PolarHBondContact O-N 2.69Å; H631-L677 VanDerWaalsContact CD2-CD2 3.47Å; H631-L677 WeakPolarHBondContact CD2-CD2 3.15Å
632	A	82.7	Confident	83.5	Confident	27 Å²	27	62.9 Å²	62.9	22%	0.223	35%	0.347	C	S	.	.	H	α-helix	trans	-71.7	-43.8	175.9	0	0	0	0	0	111.5	P629 E630 L634 K635 M636	P629-A632 WeakPolarHBondContact O-CA 3.22Å; P629-A632 VanDerWaalsContact O-CB 3.27Å; P629-A632 WeakPolarHBondContact O-CB 3.37Å; P629-A632 PolarHBondContact O-N 3.02Å; E630-A632 PolarHBondContact O-N 2.91Å; A632-L634 VanDerWaalsContact C-N 3.34Å; A632-L634 PolarHBondContact O-N 3.48Å; A632-K635 PolarHBondContact O-N 3.41Å; A632-M636 WeakPolarHBondContact O-CG 3.27Å; A632-M636 PolarHBondContact O-N 3.48Å
633	V	86.3	Confident	83.8	Confident	24 Å²	24	57 Å²	57	15%	0.145	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-43.8	174.2	-177.3	0	0	0	0	110.5	Y613 L628 P629 E630 K635 M636 K637	Y613-V633 HydrophobicContact CE1-CG1 4.47Å; L628-V633 HydrophobicContact CB-CG2 3.87Å; P629-V633 PolarHBondContact O-N 3.23Å; E630-V633 PolarHBondContact O-N 2.99Å; E630-V633 VanDerWaalsContact O-N 3.08Å; V633-K635 PolarHBondContact O-N 3.08Å; V633-M636 WeakPolarHBondContact O-CB 3.45Å; V633-M636 PolarHBondContact O-N 3.29Å; V633-M636 VanDerWaalsContact O-N 3.14Å; V633-K637 WeakPolarHBondContact O-CB 3.14Å; V633-K637 PolarHBondContact O-N 3.41Å
634	L	88	Confident	84.1	Confident	23 Å²	23	58 Å²	58	12%	0.12	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-39.6	173.9	-74.2	169.2	0	0	0	112.3	E630 A632 M636 G638 S673 A676 L677	E630-L634 HydrophobicContact CG-CD1 4Å; E630-L634 HydrophobicContact CG-CG 4.36Å; E630-L634 WeakPolarHBondContact O-CB 3.43Å; E630-L634 WeakPolarHBondContact O-CG 3.42Å; E630-L634 PolarHBondContact O-N 2.64Å; A632-L634 VanDerWaalsContact C-N 3.34Å; A632-L634 PolarHBondContact O-N 3.48Å; L634-M636 VanDerWaalsContact C-N 3.34Å; L634-G638 PolarHBondContact O-N 3.34Å; L634-G638 VanDerWaalsContact O-N 3.15Å; L634-S673 WeakPolarHBondContact O-CB 3.42Å; L634-S673 PolarHBondContact O-OG 3.34Å; L634-A676 HydrophobicContact CD1-CB 4Å; L634-L677 HydrophobicContact CB-CD1 4.41Å; L634-L677 HydrophobicContact CB-CD2 4.08Å; L634-L677 HydrophobicContact CB-CG 4.35Å
635	K	86.4	Confident	84.3	Confident	36 Å²	36	58.7 Å²	58.7	16%	0.157	33%	0.327	C	S	.	.	H	α-helix	trans	-65.1	-39.7	173.7	-162.7	-138.1	173.4	-159.8	0	111.2	E263 H631 A632 V633 G638 N639 L677	E263-K635 VanDerWaalsContact CD-NZ 3.31Å; E263-K635 IonicContact OE1-NZ 3.88Å; E263-K635 PolarHBondContact OE1-NZ 2.96Å; E263-K635 VanDerWaalsContact OE1-NZ 3.13Å; E263-K635 IonicContact OE2-NZ 3.74Å; E263-K635 PolarHBondContact OE2-NZ 3.39Å; H631-K635 PolarHBondContact O-N 2.69Å; A632-K635 PolarHBondContact O-N 3.41Å; V633-K635 PolarHBondContact O-N 3.08Å; K635-G638 PolarHBondContact O-N 2.87Å; K635-N639 WeakPolarHBondContact O-CB 3.42Å; K635-N639 PolarHBondContact O-N 3.01Å; K635-L677 HydrophobicContact CB-CD1 4.2Å
636	M	87.1	Confident	84.6	Confident	25 Å²	25	57.8 Å²	57.8	12%	0.123	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-45.3	177.1	-72.2	-177	153.3	0	0	112.7	E259 L505 P506 T582 A632 V633 L634 G638 N639 F640	E259-M636 VanDerWaalsContact CD-CE 3.45Å; E259-M636 WeakPolarHBondContact OE1-CE 3.06Å; E259-M636 WeakPolarHBondContact OE2-CE 3.13Å; L505-M636 HydrophobicContact CD2-CB 3.83Å; P506-M636 VanDerWaalsContact CD-SD 3.52Å; P506-M636 HydrophobicContact CG-CE 4.07Å; P506-M636 HydrophobicContact CG-SD 3.34Å; P506-M636 WeakPolarHBondContact CG-SD 3.4Å; T582-M636 HydrophobicContact CG2-CE 3.72Å; T582-M636 HydrophobicContact CG2-SD 3.93Å; A632-M636 WeakPolarHBondContact O-CG 3.27Å; A632-M636 PolarHBondContact O-N 3.48Å; V633-M636 WeakPolarHBondContact O-CB 3.45Å; V633-M636 PolarHBondContact O-N 3.29Å; V633-M636 VanDerWaalsContact O-N 3.14Å; L634-M636 VanDerWaalsContact C-N 3.34Å; M636-G638 VanDerWaalsContact C-N 3.29Å; M636-G638 PolarHBondContact O-N 3.31Å; M636-N639 PolarHBondContact O-N 3.37Å; M636-F640 PolarHBondContact O-N 3.41Å
637	K	90.6	Very high	84.3	Confident	19 Å²	19	58.6 Å²	58.6	8%	0.083	32%	0.319	C	S	.	.	H	α-helix	trans	-49.4	-49.5	171.8	-91.6	-166.1	166.9	-164.6	0	110.9	L505 D610 V633 F640 Y669 E672	L505-K637 HydrophobicContact CD1-CG 4.04Å; D610-K637 IonicContact OD1-NZ 3.36Å; D610-K637 PolarHBondContact OD1-NZ 3.35Å; V633-K637 WeakPolarHBondContact O-CB 3.14Å; V633-K637 PolarHBondContact O-N 3.41Å; K637-F640 WeakPolarHBondContact O-CB 3.3Å; K637-F640 PolarHBondContact O-N 3.25Å; K637-Y669 HydrophobicContact CB-CD2 4.24Å; K637-Y669 HydrophobicContact CB-CG 4.12Å; K637-Y669 HydrophobicContact CD-CD1 3.67Å; K637-Y669 HydrophobicContact CD-CD2 4.1Å; K637-Y669 HydrophobicContact CD-CE1 4.03Å; K637-Y669 HydrophobicContact CD-CE2 4.42Å; K637-Y669 HydrophobicContact CD-CG 3.72Å; K637-Y669 VanDerWaalsContact CE-CD1 3.45Å; K637-Y669 HydrophobicContact CG-CD1 4.22Å; K637-Y669 HydrophobicContact CG-CD2 3.71Å; K637-Y669 HydrophobicContact CG-CE2 4.14Å; K637-Y669 HydrophobicContact CG-CG 3.75Å; K637-E672 WeakPolarHBondContact CD-OE2 3.43Å; K637-E672 IonicContact NZ-OE2 3.63Å; K637-E672 PolarHBondContact NZ-OE2 2.7Å
638	G	88.1	Confident	84.7	Confident	21 Å²	21	53.3 Å²	53.3	22%	0.216	29%	0.291	C	S	.	.	H	α-helix	trans	-70.1	-33.4	-179.4	0	0	0	0	0	114.5	L634 K635 M636 F640 K670 S673	L634-G638 PolarHBondContact O-N 3.34Å; L634-G638 VanDerWaalsContact O-N 3.15Å; K635-G638 PolarHBondContact O-N 2.87Å; M636-G638 VanDerWaalsContact C-N 3.29Å; M636-G638 PolarHBondContact O-N 3.31Å; G638-F640 VanDerWaalsContact C-N 3.34Å; G638-K670 WeakPolarHBondContact O-CG 3.31Å; G638-S673 VanDerWaalsContact CA-OG 3.22Å; G638-S673 WeakPolarHBondContact CA-OG 3.42Å; G638-S673 PolarHBondContact N-OG 3.05Å
639	N	88.4	Confident	85.5	Confident	51 Å²	51	50 Å²	50	27%	0.273	27%	0.273	S	S	.	.	H	α-helix	trans	-82.5	-7.2	177.7	-81.1	12.1	0	0	0	113.9	E263 K635 M636 T641	E263-N639 PolarHBondContact OE1-ND2 3.13Å; K635-N639 WeakPolarHBondContact O-CB 3.42Å; K635-N639 PolarHBondContact O-N 3.01Å; M636-N639 PolarHBondContact O-N 3.37Å; N639-T641 PolarHBondContact O-N 3.06Å
640	F	93	Very high	86.1	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.009	28%	0.275	C	S	.	.			trans	-70.3	117.1	-174.2	-163	173.6	0	0	0	111.4	I503 L505 V584 M636 K637 G638 L642 L666 K670	I503-F640 HydrophobicContact CG2-CE2 3.7Å; I503-F640 HydrophobicContact CG2-CZ 4.39Å; L505-F640 HydrophobicContact CD1-CD1 4.46Å; L505-F640 HydrophobicContact CD2-CD1 3.97Å; L505-F640 HydrophobicContact CG-CD1 3.86Å; L505-F640 HydrophobicContact CG-CE1 4.02Å; V584-F640 HydrophobicContact CB-CB 4.18Å; V584-F640 HydrophobicContact CB-CD2 3.9Å; V584-F640 HydrophobicContact CB-CG 4.02Å; V584-F640 HydrophobicContact CG1-CD1 4.34Å; V584-F640 HydrophobicContact CG1-CD2 4.01Å; V584-F640 HydrophobicContact CG1-CE2 4.34Å; V584-F640 HydrophobicContact CG1-CG 4.05Å; V584-F640 CarbonylContact O-C 3.48Å; V584-F640 WeakPolarHBondContact O-CA 3.24Å; M636-F640 PolarHBondContact O-N 3.41Å; K637-F640 WeakPolarHBondContact O-CB 3.3Å; K637-F640 PolarHBondContact O-N 3.25Å; G638-F640 VanDerWaalsContact C-N 3.34Å; F640-L642 HydrophobicContact CE2-CD2 4.34Å; F640-L666 HydrophobicContact CB-CD1 4.09Å; F640-L666 HydrophobicContact CB-CD2 4.1Å; F640-L666 HydrophobicContact CD1-CD1 4.11Å; F640-L666 HydrophobicContact CD1-CD2 3.31Å; F640-L666 HydrophobicContact CD1-CG 4.37Å; F640-L666 HydrophobicContact CD2-CD1 3.67Å; F640-L666 HydrophobicContact CD2-CD2 4.4Å; F640-L666 HydrophobicContact CE1-CD1 4.43Å; F640-L666 HydrophobicContact CE1-CD2 3.66Å; F640-L666 HydrophobicContact CE2-CD1 3.99Å; F640-L666 HydrophobicContact CG-CD1 3.69Å; F640-L666 HydrophobicContact CG-CD2 3.71Å; F640-L666 HydrophobicContact CG-CG 4.37Å; F640-L666 HydrophobicContact CZ-CD1 4.36Å; F640-L666 HydrophobicContact CZ-CD2 4.31Å; F640-L666 WeakPolarHBondContact O-CD1 3.47Å; F640-K670 WeakPolarHBondContact O-CE 3.09Å; F640-K670 PolarHBondContact O-NZ 3.32Å
641	T	91.6	Very high	86.7	Confident	57 Å²	57	47.8 Å²	47.8	35%	0.35	26%	0.26	S	S	.	.			trans	-123.5	130.4	175	-52.1	0	0	0	0	109.4	V584 A586 Q589 N639	V584-T641 PolarHBondContact O-N 2.64Å; A586-T641 HydrophobicContact CB-CG2 4.07Å; Q589-T641 PolarHBondContact NE2-O 2.73Å; N639-T641 PolarHBondContact O-N 3.06Å
642	L	92.8	Very high	87.3	Confident	10 Å²	10	45.5 Å²	45.5	5%	0.052	25%	0.25	C	S	.	.			trans	-65.7	147.6	174.1	-63.8	-178	0	0	0	110.5	V605 F640 Y654 K659 A662 Q663 L666	V605-L642 HydrophobicContact CG1-CD2 4.01Å; F640-L642 HydrophobicContact CE2-CD2 4.34Å; L642-Y654 HydrophobicContact CD1-CE1 4.16Å; L642-Y654 HydrophobicContact CD2-CE1 4.18Å; L642-K659 HydrophobicContact CD1-CG 4.18Å; L642-A662 HydrophobicContact CD1-CB 4.16Å; L642-A662 HydrophobicContact CD2-CB 4.28Å; L642-Q663 HydrophobicContact CD1-CB 4.22Å; L642-L666 HydrophobicContact CD2-CD1 3.8Å; L642-L666 HydrophobicContact CG-CD1 3.84Å
643	P	91.8	Very high	88	Confident	2 Å²	2	47 Å²	47	1%	0.013	26%	0.257	C	S	.	.			trans	-69.4	154.5	171.7	32.9	-38.3	0	0	0	111.4	I503 A603 V605 F649 I652	I503-P643 HydrophobicContact CD1-CB 3.83Å; I503-P643 HydrophobicContact CD1-CG 3.75Å; A603-P643 HydrophobicContact CB-CB 3.98Å; A603-P643 HydrophobicContact CB-CG 3.86Å; V605-P643 HydrophobicContact CG2-CG 3.61Å; P643-F649 HydrophobicContact CB-CD2 3.74Å; P643-F649 HydrophobicContact CB-CE2 3.59Å; P643-F649 HydrophobicContact CB-CZ 4.35Å; P643-I652 HydrophobicContact CB-CD1 3.77Å; P643-I652 HydrophobicContact CB-CG1 4.44Å; P643-I652 HydrophobicContact CG-CD1 3.96Å; P643-I652 HydrophobicContact CG-CG1 4.4Å; P643-I652 HydrophobicContact CG-CG2 3.73Å
644	E	86.9	Confident	88.5	Confident	137 Å²	137	47.5 Å²	47.5	64%	0.64	26%	0.256	S	S	*	.			trans	-124.1	141	174.7	-62.8	-174	141.8	0	0	110.2	A646	E644-A646 PolarHBondContact O-N 2.91Å; E644-A646 VanDerWaalsContact O-N 3.11Å
645	V	80.5	Confident	88.8	Confident	106 Å²	106	49.1 Å²	49.1	64%	0.642	27%	0.267	S	S	*	.	S	Bend	trans	-70	106.8	174	-175.3	0	0	0	0	107.3	I652	V645-I652 HydrophobicContact CG2-CB 4.48Å; V645-I652 HydrophobicContact CG2-CD1 3.69Å; V645-I652 HydrophobicContact CG2-CG1 3.97Å
646	A	74.9	Confident	89.1	Confident	50 Å²	50	50.2 Å²	50.2	41%	0.413	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-166.9	-164.7	-164.7	0	0	0	0	0	109.2	E644 C648 F649	E644-A646 PolarHBondContact O-N 2.91Å; E644-A646 VanDerWaalsContact O-N 3.11Å; A646-C648 PolarHBondContact O-N 2.68Å; A646-F649 PolarHBondContact N-O 3.08Å; A646-F649 PolarHBondContact O-N 3.19Å; A646-F649 VanDerWaalsContact O-O 3.14Å
647	E	66.5	Low	89.5	Confident	148 Å²	148	49.9 Å²	49.9	69%	0.692	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-22.3	179.3	-59.3	176.6	128.9	0	0	115.7	R590 R601	R590-E647 IonicContact CZ-OE2 2.78Å; R590-E647 IonicContact NH1-OE2 3.37Å; R590-E647 PolarHBondContact NH1-OE2 3.31Å; R590-E647 IonicContact NH2-OE2 3.89Å; R601-E647 PolarHBondContact NH1-O 3.21Å; R601-E647 PolarHBondContact NH2-O 3.19Å
648	C	81.1	Confident	89.7	Confident	10 Å²	10	54 Å²	54	7%	0.068	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-22.2	-171.3	-57	0	0	0	0	115.3	M593 A646	M593-C648 HydrophobicContact CB-CB 4.33Å; M593-C648 WeakPolarHBondContact CB-O 3.16Å; A646-C648 PolarHBondContact O-N 2.68Å
649	F	92.6	Very high	90	Very high	5 Å²	5	58.1 Å²	58.1	2%	0.022	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-143.6	132.2	-173.8	-65.4	-67.5	0	0	0	110.7	M501 I503 Q589 M593 R601 A603 P643 A646 I652	M501-F649 HydrophobicContact CB-CE1 4.05Å; M501-F649 HydrophobicContact SD-CE1 4.23Å; M501-F649 HydrophobicContact SD-CZ 3.81Å; I503-F649 HydrophobicContact CD1-CZ 4.17Å; Q589-F649 HydrophobicContact CB-CE2 4.06Å; Q589-F649 HydrophobicContact CB-CZ 4.03Å; Q589-F649 HydrophobicContact CG-CZ 4.37Å; M593-F649 HydrophobicContact CG-CD1 4.08Å; M593-F649 HydrophobicContact CG-CE1 3.47Å; M593-F649 VanDerWaalsContact CG-CE1 3.47Å; M593-F649 HydrophobicContact CG-CZ 3.81Å; M593-F649 HydrophobicContact SD-CD1 4.07Å; M593-F649 HydrophobicContact SD-CE1 3.57Å; M593-F649 VanDerWaalsContact SD-CE1 3.57Å; M593-F649 HydrophobicContact SD-CZ 4.43Å; R601-F649 WeakPolarHBondContact O-CA 3.39Å; A603-F649 HydrophobicContact CB-CD1 3.76Å; A603-F649 HydrophobicContact CB-CD2 4.47Å; A603-F649 HydrophobicContact CB-CE1 3.69Å; A603-F649 HydrophobicContact CB-CE2 4.43Å; A603-F649 HydrophobicContact CB-CG 4.15Å; A603-F649 HydrophobicContact CB-CZ 4.04Å; P643-F649 HydrophobicContact CB-CD2 3.74Å; P643-F649 HydrophobicContact CB-CE2 3.59Å; P643-F649 HydrophobicContact CB-CZ 4.35Å; A646-F649 PolarHBondContact N-O 3.08Å; A646-F649 PolarHBondContact O-N 3.19Å; A646-F649 VanDerWaalsContact O-O 3.14Å; F649-I652 HydrophobicContact CB-CD1 4.32Å; F649-I652 HydrophobicContact CB-CG1 4.17Å
650	D	93.4	Very high	90.2	Very high	84 Å²	84	62.7 Å²	62.7	45%	0.449	32%	0.323	S	S	.	.	S	Bend	trans	-98.1	-28	-176.3	-46	-58.9	0	0	0	110.7	R601	R601-D650 WeakPolarHBondContact CB-OD2 3.47Å; R601-D650 IonicContact CZ-OD1 2.68Å; R601-D650 IonicContact CZ-OD2 3.47Å; R601-D650 PolarHBondContact N-OD2 3.21Å; R601-D650 IonicContact NE-OD1 2.87Å; R601-D650 IonicContact NE-OD2 2.67Å; R601-D650 PolarHBondContact NE-OD2 2.94Å; R601-D650 IonicContact NH2-OD1 2.79Å; R601-D650 PolarHBondContact NH2-OD1 3.17Å; R601-D650 IonicContact NH2-OD2 2.66Å; R601-D650 PolarHBondContact NH2-OD2 3.02Å; R601-D650 PolarHBondContact O-N 2.8Å
651	E	94.8	Very high	90.3	Very high	86 Å²	86	67.5 Å²	67.5	40%	0.402	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.5	175.7	-164.6	-173.4	150.4	0	0	110.8	K602 A603	K602-E651 CarbonylContact C-O 3.47Å; K602-E651 WeakPolarHBondContact CA-O 3.47Å; K602-E651 HydrophobicContact CB-CB 4.37Å; K602-E651 HydrophobicContact CD-CB 4.15Å; K602-E651 VanDerWaalsContact CD-OE2 3.24Å; K602-E651 WeakPolarHBondContact CD-OE2 3.4Å; K602-E651 WeakPolarHBondContact CE-OE2 3.32Å; K602-E651 HydrophobicContact CG-CB 3.97Å; K602-E651 IonicContact NZ-OE2 3.68Å; K602-E651 PolarHBondContact NZ-OE2 2.99Å; A603-E651 PolarHBondContact N-O 3.34Å
652	I	96.2	Very high	90.5	Very high	32 Å²	32	64.8 Å²	64.8	16%	0.164	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	123.6	177.2	-57.9	177.8	0	0	0	110.5	A603 V605 P643 V645 F649 Y654	A603-I652 HydrophobicContact CB-CG1 4.07Å; A603-I652 HydrophobicContact CB-CG2 4.31Å; A603-I652 WeakPolarHBondContact O-CA 3.37Å; V605-I652 HydrophobicContact CG2-CG2 4.25Å; P643-I652 HydrophobicContact CB-CD1 3.77Å; P643-I652 HydrophobicContact CB-CG1 4.44Å; P643-I652 HydrophobicContact CG-CD1 3.96Å; P643-I652 HydrophobicContact CG-CG1 4.4Å; P643-I652 HydrophobicContact CG-CG2 3.73Å; V645-I652 HydrophobicContact CG2-CB 4.48Å; V645-I652 HydrophobicContact CG2-CD1 3.69Å; V645-I652 HydrophobicContact CG2-CG1 3.97Å; F649-I652 HydrophobicContact CB-CD1 4.32Å; F649-I652 HydrophobicContact CB-CG1 4.17Å; I652-Y654 HydrophobicContact CG2-CD2 4.12Å; I652-Y654 HydrophobicContact CG2-CE2 3.46Å; I652-Y654 VanDerWaalsContact CG2-CE2 3.46Å
653	T	96.4	Very high	90.6	Very high	59 Å²	59	67.6 Å²	67.6	36%	0.362	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.6	-177.7	-55	0	0	0	0	110.9	A603 V605	A603-T653 PolarHBondContact O-N 3.42Å; V605-T653 PolarHBondContact N-O 3.29Å
654	Y	96.4	Very high	90.7	Very high	34 Å²	34	73.2 Å²	73.2	13%	0.133	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.6	177.1	-70.8	-98.9	0	0	0	109.2	V605 L642 I652 Q658 K659	V605-Y654 HydrophobicContact CB-CD1 3.85Å; V605-Y654 HydrophobicContact CB-CE1 4.01Å; V605-Y654 HydrophobicContact CB-CG 4.36Å; V605-Y654 HydrophobicContact CG1-CD1 3.92Å; V605-Y654 HydrophobicContact CG1-CE1 3.94Å; V605-Y654 HydrophobicContact CG2-CD1 4.27Å; V605-Y654 HydrophobicContact CG2-CE1 3.97Å; L642-Y654 HydrophobicContact CD1-CE1 4.16Å; L642-Y654 HydrophobicContact CD2-CE1 4.18Å; I652-Y654 HydrophobicContact CG2-CD2 4.12Å; I652-Y654 HydrophobicContact CG2-CE2 3.46Å; I652-Y654 VanDerWaalsContact CG2-CE2 3.46Å; Y654-Q658 PolarHBondContact O-NE2 3.37Å; Y654-Q658 VanDerWaalsContact O-NE2 3.16Å; Y654-K659 HydrophobicContact CD1-CB 4.4Å; Y654-K659 HydrophobicContact CD2-CB 4.49Å; Y654-K659 HydrophobicContact CE1-CB 3.92Å; Y654-K659 HydrophobicContact CE1-CG 4.25Å; Y654-K659 HydrophobicContact CE2-CB 4.03Å; Y654-K659 HydrophobicContact CE2-CG 4.42Å
655	V	94.8	Very high	91.1	Very high	58 Å²	58	67.4 Å²	67.4	35%	0.352	34%	0.339	S	S	.	.	S	Bend	trans	-78.5	-30.6	-170.4	-176.4	0	0	0	0	112.6	V604 V605 V606	V604-V655 HydrophobicContact CG1-CG2 3.47Å; V604-V655 VanDerWaalsContact CG1-CG2 3.47Å; V605-V655 PolarHBondContact O-N 3.16Å; V606-V655 HydrophobicContact CG2-CG2 4.2Å
656	E	93	Very high	91.7	Very high	58 Å²	58	62.4 Å²	62.4	27%	0.271	31%	0.309	S	S	.	.	S	Bend	trans	-129	-103.8	-172.2	-62	-173.9	-103.1	0	0	110.1	V606 C607 P608 R616 Q658	V606-E656 WeakPolarHBondContact CG1-OE1 3.5Å; C607-E656 WeakPolarHBondContact O-CB 3.36Å; P608-E656 WeakPolarHBondContact CD-OE1 3.48Å; R616-E656 IonicContact CZ-OE1 2.67Å; R616-E656 IonicContact CZ-OE2 2.63Å; R616-E656 VanDerWaalsContact CZ-OE2 3.31Å; R616-E656 VanDerWaalsContact NH1-CD 3.3Å; R616-E656 IonicContact NH1-OE1 3.95Å; R616-E656 PolarHBondContact NH1-OE1 2.77Å; R616-E656 IonicContact NH1-OE2 3.13Å; R616-E656 PolarHBondContact NH1-OE2 2.95Å; R616-E656 IonicContact NH2-OE1 2.66Å; R616-E656 IonicContact NH2-OE2 2.68Å; R616-E656 PolarHBondContact NH2-OE2 3.39Å; E656-Q658 PolarHBondContact O-N 3.2Å; E656-Q658 PolarHBondContact O-NE2 2.73Å
657	L	95.1	Very high	92.6	Very high	19 Å²	19	64.8 Å²	64.8	10%	0.099	31%	0.311	C	S	.	.	S	Bend	trans	-59.8	128.5	172.9	-69	-179.2	0	0	0	110.6	C607 P608 K609 E661 A662 L665	C607-L657 WeakPolarHBondContact O-CB 3.47Å; C607-L657 VanDerWaalsContact O-CG 3.26Å; C607-L657 WeakPolarHBondContact O-CG 3.3Å; C607-L657 PolarHBondContact O-N 2.78Å; C607-L657 VanDerWaalsContact O-N 3.1Å; P608-L657 WeakPolarHBondContact O-CD1 3.42Å; K609-L657 HydrophobicContact CG-CD1 4.43Å; K609-L657 HydrophobicContact CG-CD2 3.86Å; K609-L657 HydrophobicContact CG-CG 4.35Å; L657-E661 HydrophobicContact CB-CB 4.27Å; L657-E661 HydrophobicContact CD2-CB 4.03Å; L657-A662 HydrophobicContact CB-CB 4.1Å; L657-L665 HydrophobicContact CD1-CD2 3.63Å
658	Q	95.9	Very high	93.9	Very high	106 Å²	106	63.1 Å²	63.1	50%	0.495	30%	0.304	S	S	.	.			trans	-73.9	160.4	176.8	-61.4	-54.5	-58.8	0	0	110.7	Y654 E656 E660 E661 A662	Y654-Q658 PolarHBondContact O-NE2 3.37Å; Y654-Q658 VanDerWaalsContact O-NE2 3.16Å; E656-Q658 PolarHBondContact O-N 3.2Å; E656-Q658 PolarHBondContact O-NE2 2.73Å; Q658-E660 VanDerWaalsContact C-N 3.25Å; Q658-E660 PolarHBondContact O-N 2.77Å; Q658-E661 PolarHBondContact O-N 2.62Å; Q658-A662 PolarHBondContact O-N 3.16Å
659	K	93.5	Very high	94.5	Very high	106 Å²	106	62.8 Å²	62.8	46%	0.461	30%	0.301	S	S	.	.	H	α-helix	trans	-45	-44.9	-167.5	-175.8	177.3	180	-177.6	0	114.3	L642 Y654 Q663	L642-K659 HydrophobicContact CD1-CG 4.18Å; Y654-K659 HydrophobicContact CD1-CB 4.4Å; Y654-K659 HydrophobicContact CD2-CB 4.49Å; Y654-K659 HydrophobicContact CE1-CB 3.92Å; Y654-K659 HydrophobicContact CE1-CG 4.25Å; Y654-K659 HydrophobicContact CE2-CB 4.03Å; Y654-K659 HydrophobicContact CE2-CG 4.42Å; K659-Q663 WeakPolarHBondContact O-CB 3.45Å; K659-Q663 PolarHBondContact O-N 2.88Å
660	E	93.9	Very high	94.5	Very high	147 Å²	147	64.6 Å²	64.6	69%	0.687	31%	0.309	S	S	*	.	H	α-helix	trans	-71.4	-34.1	-177.8	-61.6	-173.1	-171.7	0	0	114.1	Q658 K664	Q658-E660 VanDerWaalsContact C-N 3.25Å; Q658-E660 PolarHBondContact O-N 2.77Å; E660-K664 WeakPolarHBondContact O-CD 3.31Å; E660-K664 VanDerWaalsContact O-CG 3.28Å; E660-K664 WeakPolarHBondContact O-CG 3.27Å; E660-K664 PolarHBondContact O-N 2.76Å
661	E	95.1	Very high	94.5	Very high	104 Å²	104	65.6 Å²	65.6	49%	0.486	31%	0.31	S	S	.	.	H	α-helix	trans	-77	-44.2	178.4	-57.5	-176.5	135.5	0	0	110.4	L657 Q658 Q663 K664 L665	L657-E661 HydrophobicContact CB-CB 4.27Å; L657-E661 HydrophobicContact CD2-CB 4.03Å; Q658-E661 PolarHBondContact O-N 2.62Å; E661-Q663 VanDerWaalsContact C-N 3.31Å; E661-Q663 PolarHBondContact O-N 3.5Å; E661-K664 PolarHBondContact O-N 2.95Å; E661-L665 PolarHBondContact O-N 3.4Å; E661-L665 VanDerWaalsContact O-N 3.07Å
662	A	94.4	Very high	94.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.9	-44.4	172.1	0	0	0	0	0	110.9	C607 L642 L657 Q658 K664 L665 L666	C607-A662 HydrophobicContact CB-CB 4.32Å; L642-A662 HydrophobicContact CD1-CB 4.16Å; L642-A662 HydrophobicContact CD2-CB 4.28Å; L657-A662 HydrophobicContact CB-CB 4.1Å; Q658-A662 PolarHBondContact O-N 3.16Å; A662-K664 PolarHBondContact O-N 3.19Å; A662-L665 PolarHBondContact O-N 3.15Å; A662-L666 VanDerWaalsContact O-CG 3.31Å; A662-L666 WeakPolarHBondContact O-CG 3.42Å; A662-L666 PolarHBondContact O-N 3.07Å
663	Q	94.7	Very high	94	Very high	68 Å²	68	63.6 Å²	63.6	32%	0.318	30%	0.301	S	S	.	.	H	α-helix	trans	-57.3	-47.7	177.3	-179.6	67.7	25.9	0	0	112.3	L642 K659 E661 L665 L666 E667	L642-Q663 HydrophobicContact CD1-CB 4.22Å; K659-Q663 WeakPolarHBondContact O-CB 3.45Å; K659-Q663 PolarHBondContact O-N 2.88Å; E661-Q663 VanDerWaalsContact C-N 3.31Å; E661-Q663 PolarHBondContact O-N 3.5Å; Q663-L665 VanDerWaalsContact C-N 3.33Å; Q663-L665 PolarHBondContact O-N 3.28Å; Q663-L666 PolarHBondContact O-N 3.45Å; Q663-E667 PolarHBondContact NE2-OE1 2.99Å; Q663-E667 WeakPolarHBondContact O-CG 3.1Å; Q663-E667 PolarHBondContact O-N 2.85Å
664	K	95.4	Very high	93.6	Very high	120 Å²	120	68.3 Å²	68.3	52%	0.522	32%	0.317	S	S	.	.	H	α-helix	trans	-59.7	-43	177.1	-68.4	161.1	-167.7	165	0	111.6	E660 E661 A662 E667 Q668	E660-K664 WeakPolarHBondContact O-CD 3.31Å; E660-K664 VanDerWaalsContact O-CG 3.28Å; E660-K664 WeakPolarHBondContact O-CG 3.27Å; E660-K664 PolarHBondContact O-N 2.76Å; E661-K664 PolarHBondContact O-N 2.95Å; A662-K664 PolarHBondContact O-N 3.19Å; K664-E667 PolarHBondContact O-N 3.2Å; K664-Q668 PolarHBondContact O-N 3.32Å; K664-Q668 VanDerWaalsContact O-N 3.16Å
665	L	94.5	Very high	93.3	Very high	16 Å²	16	74.1 Å²	74.1	8%	0.084	34%	0.343	C	S	.	.	H	α-helix	trans	-65.1	-40.9	176.7	-177.6	59	0	0	0	112.2	D610 L657 E661 A662 Q663 E667 Q668 Y669	D610-L665 HydrophobicContact CB-CD1 4.14Å; L657-L665 HydrophobicContact CD1-CD2 3.63Å; E661-L665 PolarHBondContact O-N 3.4Å; E661-L665 VanDerWaalsContact O-N 3.07Å; A662-L665 PolarHBondContact O-N 3.15Å; Q663-L665 VanDerWaalsContact C-N 3.33Å; Q663-L665 PolarHBondContact O-N 3.28Å; L665-E667 VanDerWaalsContact C-N 3.25Å; L665-E667 PolarHBondContact O-N 3.19Å; L665-Q668 WeakPolarHBondContact O-CB 3.33Å; L665-Q668 PolarHBondContact O-N 3.41Å; L665-Y669 HydrophobicContact CD1-CD1 4.07Å; L665-Y669 HydrophobicContact CD1-CE1 3.42Å; L665-Y669 VanDerWaalsContact CD1-CE1 3.42Å; L665-Y669 HydrophobicContact CD1-CE2 4.47Å; L665-Y669 HydrophobicContact CD2-CE1 4.5Å; L665-Y669 HydrophobicContact CD2-CE2 4.31Å; L665-Y669 HydrophobicContact CG-CD1 4.41Å; L665-Y669 HydrophobicContact CG-CE1 3.83Å; L665-Y669 HydrophobicContact CG-CE2 3.96Å; L665-Y669 WeakPolarHBondContact O-CD1 3.48Å; L665-Y669 PolarHBondContact O-N 3.09Å
666	L	93.2	Very high	93	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-68.5	-23.9	175.8	-61.4	-160.6	0	0	0	113	F640 L642 A662 Q663 Y669 K670	F640-L666 HydrophobicContact CB-CD1 4.09Å; F640-L666 HydrophobicContact CB-CD2 4.1Å; F640-L666 HydrophobicContact CD1-CD1 4.11Å; F640-L666 HydrophobicContact CD1-CD2 3.31Å; F640-L666 HydrophobicContact CD1-CG 4.37Å; F640-L666 HydrophobicContact CD2-CD1 3.67Å; F640-L666 HydrophobicContact CD2-CD2 4.4Å; F640-L666 HydrophobicContact CE1-CD1 4.43Å; F640-L666 HydrophobicContact CE1-CD2 3.66Å; F640-L666 HydrophobicContact CE2-CD1 3.99Å; F640-L666 HydrophobicContact CG-CD1 3.69Å; F640-L666 HydrophobicContact CG-CD2 3.71Å; F640-L666 HydrophobicContact CG-CG 4.37Å; F640-L666 HydrophobicContact CZ-CD1 4.36Å; F640-L666 HydrophobicContact CZ-CD2 4.31Å; F640-L666 WeakPolarHBondContact O-CD1 3.47Å; L642-L666 HydrophobicContact CD2-CD1 3.8Å; L642-L666 HydrophobicContact CG-CD1 3.84Å; A662-L666 VanDerWaalsContact O-CG 3.31Å; A662-L666 WeakPolarHBondContact O-CG 3.42Å; A662-L666 PolarHBondContact O-N 3.07Å; Q663-L666 PolarHBondContact O-N 3.45Å; L666-Y669 HydrophobicContact CD2-CD2 3.68Å; L666-Y669 HydrophobicContact CD2-CE2 4.06Å; L666-K670 WeakPolarHBondContact O-CB 3.3Å; L666-K670 WeakPolarHBondContact O-CD 3.21Å; L666-K670 WeakPolarHBondContact O-CG 3.45Å; L666-K670 PolarHBondContact O-N 2.79Å
667	E	94.3	Very high	92.6	Very high	100 Å²	100	73.4 Å²	73.4	47%	0.467	35%	0.348	S	S	.	.	H	α-helix	trans	-73	-42	172.7	-75.4	167.3	-167.6	0	0	111.4	Q663 K664 L665 K670 E671	Q663-E667 PolarHBondContact NE2-OE1 2.99Å; Q663-E667 WeakPolarHBondContact O-CG 3.1Å; Q663-E667 PolarHBondContact O-N 2.85Å; K664-E667 PolarHBondContact O-N 3.2Å; L665-E667 VanDerWaalsContact C-N 3.25Å; L665-E667 PolarHBondContact O-N 3.19Å; E667-K670 PolarHBondContact O-N 2.75Å; E667-E671 PolarHBondContact O-N 3.45Å; E667-E671 VanDerWaalsContact O-N 3.08Å
668	Q	93.7	Very high	91.8	Very high	114 Å²	114	77.4 Å²	77.4	53%	0.533	38%	0.375	S	S	.	.	H	α-helix	trans	-58.9	-50.9	170.6	-67.2	170.1	-21.7	0	0	111.4	K664 L665 K670 E671 E672	K664-Q668 PolarHBondContact O-N 3.32Å; K664-Q668 VanDerWaalsContact O-N 3.16Å; L665-Q668 WeakPolarHBondContact O-CB 3.33Å; L665-Q668 PolarHBondContact O-N 3.41Å; Q668-K670 VanDerWaalsContact C-N 3.28Å; Q668-K670 PolarHBondContact O-N 2.9Å; Q668-E671 WeakPolarHBondContact O-CA 3.48Å; Q668-E671 WeakPolarHBondContact O-CB 3.5Å; Q668-E671 PolarHBondContact O-N 3.01Å; Q668-E672 PolarHBondContact O-N 3.47Å
669	Y	94.1	Very high	90.5	Very high	3 Å²	3	78 Å²	78	1%	0.012	39%	0.388	C	S	.	.	H	α-helix	trans	-54.8	-41.4	174.2	-72.1	-1.4	0	0	0	112.6	L505 D610 K637 L665 L666 E671 E672 S673	L505-Y669 HydrophobicContact CD1-CD2 4.47Å; L505-Y669 HydrophobicContact CD1-CE2 3.85Å; D610-Y669 HydrophobicContact CB-CE1 4.26Å; D610-Y669 VanDerWaalsContact OD1-CE1 3.24Å; D610-Y669 WeakPolarHBondContact OD1-CE1 3.35Å; D610-Y669 PolarHBondContact OD1-OH 2.8Å; D610-Y669 VanDerWaalsContact OD1-OH 3.06Å; K637-Y669 HydrophobicContact CB-CD2 4.24Å; K637-Y669 HydrophobicContact CB-CG 4.12Å; K637-Y669 HydrophobicContact CD-CD1 3.67Å; K637-Y669 HydrophobicContact CD-CD2 4.1Å; K637-Y669 HydrophobicContact CD-CE1 4.03Å; K637-Y669 HydrophobicContact CD-CE2 4.42Å; K637-Y669 HydrophobicContact CD-CG 3.72Å; K637-Y669 VanDerWaalsContact CE-CD1 3.45Å; K637-Y669 HydrophobicContact CG-CD1 4.22Å; K637-Y669 HydrophobicContact CG-CD2 3.71Å; K637-Y669 HydrophobicContact CG-CE2 4.14Å; K637-Y669 HydrophobicContact CG-CG 3.75Å; L665-Y669 HydrophobicContact CD1-CD1 4.07Å; L665-Y669 HydrophobicContact CD1-CE1 3.42Å; L665-Y669 VanDerWaalsContact CD1-CE1 3.42Å; L665-Y669 HydrophobicContact CD1-CE2 4.47Å; L665-Y669 HydrophobicContact CD2-CE1 4.5Å; L665-Y669 HydrophobicContact CD2-CE2 4.31Å; L665-Y669 HydrophobicContact CG-CD1 4.41Å; L665-Y669 HydrophobicContact CG-CE1 3.83Å; L665-Y669 HydrophobicContact CG-CE2 3.96Å; L665-Y669 WeakPolarHBondContact O-CD1 3.48Å; L665-Y669 PolarHBondContact O-N 3.09Å; L666-Y669 HydrophobicContact CD2-CD2 3.68Å; L666-Y669 HydrophobicContact CD2-CE2 4.06Å; Y669-E671 VanDerWaalsContact C-N 3.25Å; Y669-E671 PolarHBondContact O-N 3.49Å; Y669-E672 PolarHBondContact O-N 2.78Å; Y669-S673 PolarHBondContact O-N 3.3Å; Y669-S673 PolarHBondContact O-OG 2.99Å
670	K	91.9	Very high	88.9	Confident	43 Å²	43	80.6 Å²	80.6	19%	0.187	40%	0.402	C	S	.	.	H	α-helix	trans	-69.1	-20.4	176.1	-78.6	162	-167.1	152.3	0	113.6	G638 F640 L666 E667 Q668 K674	G638-K670 WeakPolarHBondContact O-CG 3.31Å; F640-K670 WeakPolarHBondContact O-CE 3.09Å; F640-K670 PolarHBondContact O-NZ 3.32Å; L666-K670 WeakPolarHBondContact O-CB 3.3Å; L666-K670 WeakPolarHBondContact O-CD 3.21Å; L666-K670 WeakPolarHBondContact O-CG 3.45Å; L666-K670 PolarHBondContact O-N 2.79Å; E667-K670 PolarHBondContact O-N 2.75Å; Q668-K670 VanDerWaalsContact C-N 3.28Å; Q668-K670 PolarHBondContact O-N 2.9Å; K670-K674 WeakPolarHBondContact O-CD 3.32Å; K670-K674 WeakPolarHBondContact O-CE 3.32Å; K670-K674 WeakPolarHBondContact O-CG 3.44Å; K670-K674 PolarHBondContact O-NZ 3.22Å
671	E	92.3	Very high	87	Confident	104 Å²	104	83.4 Å²	83.4	49%	0.486	41%	0.412	S	S	.	.	H	α-helix	trans	-82.1	-45.3	168.6	-74.1	-159.7	-171.4	0	0	112.1	E667 Q668 Y669 S673 K674 K675	E667-E671 PolarHBondContact O-N 3.45Å; E667-E671 VanDerWaalsContact O-N 3.08Å; Q668-E671 WeakPolarHBondContact O-CA 3.48Å; Q668-E671 WeakPolarHBondContact O-CB 3.5Å; Q668-E671 PolarHBondContact O-N 3.01Å; Y669-E671 VanDerWaalsContact C-N 3.25Å; Y669-E671 PolarHBondContact O-N 3.49Å; E671-S673 VanDerWaalsContact C-N 3.34Å; E671-S673 PolarHBondContact O-N 2.92Å; E671-K674 PolarHBondContact O-N 3.3Å; E671-K674 VanDerWaalsContact O-N 3.12Å; E671-K675 WeakPolarHBondContact O-CB 3.37Å; E671-K675 WeakPolarHBondContact O-CD 3.45Å; E671-K675 VanDerWaalsContact O-CG 3.24Å; E671-K675 WeakPolarHBondContact O-CG 3.25Å; E671-K675 PolarHBondContact O-N 3.17Å; E671-K675 WeakPolarHBondContact OE2-CE 3.48Å; E671-K675 IonicContact OE2-NZ 2.74Å; E671-K675 PolarHBondContact OE2-NZ 3.17Å
672	E	90.8	Very high	84.7	Confident	67 Å²	67	87.7 Å²	87.7	31%	0.313	43%	0.428	S	S	.	.	H	α-helix	trans	-49.5	-54.8	174.2	-70.9	165.5	-165.1	0	0	110.7	K637 Q668 Y669 K674 K675 A676	K637-E672 WeakPolarHBondContact CD-OE2 3.43Å; K637-E672 IonicContact NZ-OE2 3.63Å; K637-E672 PolarHBondContact NZ-OE2 2.7Å; Q668-E672 PolarHBondContact O-N 3.47Å; Y669-E672 PolarHBondContact O-N 2.78Å; E672-K674 VanDerWaalsContact C-N 3.31Å; E672-K674 PolarHBondContact O-N 3.17Å; E672-K675 PolarHBondContact O-N 2.88Å; E672-K675 VanDerWaalsContact O-N 3.1Å; E672-A676 WeakPolarHBondContact O-CB 3.35Å; E672-A676 PolarHBondContact O-N 2.97Å
673	S	90.2	Very high	82.4	Confident	9 Å²	9	91.6 Å²	91.6	6%	0.063	45%	0.447	C	S	.	.	H	α-helix	trans	-60.7	-35.1	179.6	-52.2	0	0	0	0	113.6	L634 G638 Y669 E671 L677	L634-S673 WeakPolarHBondContact O-CB 3.42Å; L634-S673 PolarHBondContact O-OG 3.34Å; G638-S673 VanDerWaalsContact CA-OG 3.22Å; G638-S673 WeakPolarHBondContact CA-OG 3.42Å; G638-S673 PolarHBondContact N-OG 3.05Å; Y669-S673 PolarHBondContact O-N 3.3Å; Y669-S673 PolarHBondContact O-OG 2.99Å; E671-S673 VanDerWaalsContact C-N 3.34Å; E671-S673 PolarHBondContact O-N 2.92Å; S673-L677 WeakPolarHBondContact O-CB 3.49Å; S673-L677 VanDerWaalsContact O-CG 3.3Å; S673-L677 WeakPolarHBondContact O-CG 3.43Å; S673-L677 PolarHBondContact O-N 3.16Å
674	K	88.9	Confident	79.8	Confident	159 Å²	159	95.1 Å²	95.1	69%	0.691	47%	0.468	S	S	*	.	H	α-helix	trans	-75.9	-25.3	177.7	-71.9	168.5	-159.3	151.4	0	113.1	K670 E671 E672	K670-K674 WeakPolarHBondContact O-CD 3.32Å; K670-K674 WeakPolarHBondContact O-CE 3.32Å; K670-K674 WeakPolarHBondContact O-CG 3.44Å; K670-K674 PolarHBondContact O-NZ 3.22Å; E671-K674 PolarHBondContact O-N 3.3Å; E671-K674 VanDerWaalsContact O-N 3.12Å; E672-K674 VanDerWaalsContact C-N 3.31Å; E672-K674 PolarHBondContact O-N 3.17Å
675	K	90.4	Very high	77.3	Confident	156 Å²	156	94.1 Å²	94.1	68%	0.678	47%	0.472	S	S	*	.	H	α-helix	trans	-83.3	-41	178	-68.7	163.1	-171.8	169.2	0	111	E671 E672	E671-K675 WeakPolarHBondContact O-CB 3.37Å; E671-K675 WeakPolarHBondContact O-CD 3.45Å; E671-K675 VanDerWaalsContact O-CG 3.24Å; E671-K675 WeakPolarHBondContact O-CG 3.25Å; E671-K675 PolarHBondContact O-N 3.17Å; E671-K675 WeakPolarHBondContact OE2-CE 3.48Å; E671-K675 IonicContact OE2-NZ 2.74Å; E671-K675 PolarHBondContact OE2-NZ 3.17Å; E672-K675 PolarHBondContact O-N 2.88Å; E672-K675 VanDerWaalsContact O-N 3.1Å
676	A	87.3	Confident	74.7	Confident	64 Å²	64	96.9 Å²	96.9	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-88.4	-36.4	-175.3	0	0	0	0	0	114.5	L634 E672	L634-A676 HydrophobicContact CD1-CB 4Å; E672-A676 WeakPolarHBondContact O-CB 3.35Å; E672-A676 PolarHBondContact O-N 2.97Å
677	L	84.5	Confident	72.2	Confident	37 Å²	37	100.9 Å²	100.9	19%	0.194	53%	0.532	C	S	.	.	S	Bend	trans	-87.9	142.6	-177.7	-55.1	176	0	0	0	111.3	H631 L634 K635 S673	H631-L677 VanDerWaalsContact CD2-CD2 3.47Å; H631-L677 WeakPolarHBondContact CD2-CD2 3.15Å; L634-L677 HydrophobicContact CB-CD1 4.41Å; L634-L677 HydrophobicContact CB-CD2 4.08Å; L634-L677 HydrophobicContact CB-CG 4.35Å; K635-L677 HydrophobicContact CB-CD1 4.2Å; S673-L677 WeakPolarHBondContact O-CB 3.49Å; S673-L677 VanDerWaalsContact O-CG 3.3Å; S673-L677 WeakPolarHBondContact O-CG 3.43Å; S673-L677 PolarHBondContact O-N 3.16Å
678	P	78.8	Confident	69.9	Low	102 Å²	102	105.6 Å²	105.6	66%	0.662	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-54.9	138.1	171.9	-25	34	0	0	0	111	E680	P678-E680 PolarHBondContact O-N 2.76Å
679	P	68.9	Low	67.4	Low	119 Å²	119	109.1 Å²	109.1	77%	0.773	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-56.6	127.2	-176.5	22.9	-33.9	0	0	0	110	K681	P679-K681 PolarHBondContact O-N 3.27Å; P679-K681 VanDerWaalsContact O-N 3.08Å
680	E	59.7	Low	64.7	Low	161 Å²	161	113.3 Å²	113.3	75%	0.752	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-51.5	122.6	-175.3	-74.8	-155.4	130.2	0	0	110.1	P678 K682	P678-E680 PolarHBondContact O-N 2.76Å; E680-K682 PolarHBondContact O-N 2.84Å
681	K	53.3	Low	62.3	Low	206 Å²	206	118 Å²	118	90%	0.896	62%	0.622	S	S	*	*			trans	-65.7	88.4	170.2	-72.9	176.4	-178.5	168	0	107	P679 Q683	P679-K681 PolarHBondContact O-N 3.27Å; P679-K681 VanDerWaalsContact O-N 3.08Å; K681-Q683 PolarHBondContact O-N 2.86Å
682	K	47	Very low	60	Low	193 Å²	193	121.7 Å²	121.7	84%	0.839	64%	0.636	S	S	*	*			trans	-35.9	111.3	177.7	-76.5	-174.8	176.5	179.9	0	107.3	E680 N684	E680-K682 PolarHBondContact O-N 2.84Å; K682-N684 PolarHBondContact O-N 3.37Å
683	Q	45.9	Very low	57.8	Low	83 Å²	83	125.8 Å²	125.8	39%	0.388	66%	0.66	S	S	.	*			trans	-50.1	126.6	-177.5	-167.1	-170.6	99.2	0	0	105.8	R268 K681 T685	R268-Q683 VanDerWaalsContact NE-OE1 3.12Å; K681-Q683 PolarHBondContact O-N 2.86Å; Q683-T685 PolarHBondContact O-N 2.77Å
684	N	41.5	Very low	55.6	Low	142 Å²	142	134.8 Å²	134.8	76%	0.759	70%	0.698	S	S	*	*			trans	-73.3	69.8	-175.4	-165.4	16.7	0	0	0	108.4	K682 G686	K682-N684 PolarHBondContact O-N 3.37Å; N684-G686 PolarHBondContact O-N 2.79Å
685	T	41.3	Very low	53.1	Low	99 Å²	99	132.7 Å²	132.7	61%	0.607	70%	0.703	S	S	*	*			trans	-44.1	126.8	159.2	50	0	0	0	0	105.1	Q683 S687	Q683-T685 PolarHBondContact O-N 2.77Å; T685-S687 PolarHBondContact O-N 3.39Å
686	G	41.3	Very low	50.5	Low	73 Å²	73	128.7 Å²	128.7	75%	0.753	71%	0.706	S	S	*	*			trans	-66.5	74.5	-176.9	0	0	0	0	0	109.7	N684 K688	N684-G686 PolarHBondContact O-N 2.79Å; G686-K688 PolarHBondContact O-N 2.82Å
687	S	40.8	Very low	48.2	Very low	84 Å²	84	135.5 Å²	135.5	59%	0.587	72%	0.724	S	S	*	*			trans	-60.9	93.9	166.2	54	0	0	0	0	104.7	T685 K689	T685-S687 PolarHBondContact O-N 3.39Å; S687-K689 PolarHBondContact O-N 3.05Å
688	K	45.2	Very low	45.7	Very low	200 Å²	200	141.8 Å²	141.8	87%	0.87	76%	0.757	S	S	*	*			trans	-55.4	87.6	155.9	-70.6	-180	178.2	177.4	0	104.5	G686 S690	G686-K688 PolarHBondContact O-N 2.82Å; K688-S690 PolarHBondContact O-N 3.25Å
689	K	41.4	Very low	43.9	Very low	188 Å²	188	145 Å²	145	82%	0.817	76%	0.764	S	S	*	*			trans	-51.5	100.4	160.4	-82.2	-171.9	173.9	-178	0	103.6	S687 N691	S687-K689 PolarHBondContact O-N 3.05Å; K689-N691 PolarHBondContact O-N 3.41Å
690	S	37.1	Very low	42.2	Very low	90 Å²	90	148.7 Å²	148.7	63%	0.629	77%	0.768	S	S	*	*			trans	-57.9	116	-177.9	-176.4	0	0	0	0	105.2	K688 K692	K688-S690 PolarHBondContact O-N 3.25Å; S690-K692 PolarHBondContact O-N 2.88Å
691	N	41.3	Very low	40.9	Very low	143 Å²	143	148.8 Å²	148.8	77%	0.765	77%	0.774	S	S	*	*			trans	-76.6	28.9	-171.7	-147.9	9.9	0	0	0	111.8	K689 N693	K689-N691 PolarHBondContact O-N 3.41Å; N691-N693 PolarHBondContact O-N 3.32Å
692	K	44.8	Very low	40.1	Very low	180 Å²	180	150.3 Å²	150.3	78%	0.783	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	74	155.7	-82.2	-171.3	167.2	-174.8	0	109	S690	S690-K692 PolarHBondContact O-N 2.88Å
693	N	43.7	Very low	39.2	Very low	153 Å²	153	145 Å²	145	82%	0.818	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	174.1	63.9	133.3	-83.6	-8.7	0	0	0	110.5	N691	N691-N693 PolarHBondContact O-N 3.32Å
694	K	44	Very low	38.5	Very low	199 Å²	199	145.1 Å²	145.1	87%	0.865	80%	0.797	S	S	*	*	S	Bend	trans	-127.2	50.1	154.1	-152.2	174.3	-174.5	179.4	0	112.2
695	S	37.1	Very low	38	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	80%	0.8	S	S	*	*	S	Bend	trans	-150.6	145.9	163.1	-175.6	0	0	0	0	109
696	G	35.2	Very low	37.5	Very low	72 Å²	72	146.4 Å²	146.4	74%	0.742	81%	0.813	S	S	*	*			trans	81.3	52.5	161.1	0	0	0	0	0	118.5
697	K	38.3	Very low	36.9	Very low	207 Å²	207	153.2 Å²	153.2	90%	0.9	82%	0.816	S	S	*	*			trans	-154.6	72.8	149.2	-119.9	175.6	-171.7	-176	0	113.5
698	N	32	Very low	36.5	Very low	169 Å²	169	153 Å²	153	90%	0.904	83%	0.826	S	S	*	*			trans	-140.4	97.2	148.9	-110.8	7.4	0	0	0	106.5
699	Q	41.4	Very low	35.7	Very low	170 Å²	170	155.5 Å²	155.5	79%	0.794	83%	0.83	S	S	*	*			trans	-110.8	152	171.3	-165.1	170.7	8.7	0	0	106.4
700	F	34.4	Very low	35.1	Very low	197 Å²	197	150.6 Å²	150.6	86%	0.864	83%	0.833	S	S	*	*			trans	65.8	106.3	-154.7	-44.1	-76.3	0	0	0	110
701	N	32.2	Very low	34.7	Very low	162 Å²	162	150 Å²	150	87%	0.866	84%	0.842	S	S	*	*				-134.8	165.9	63.4	-157.3	3.3	0	0	0	114.6
702	R	35.2	Very low	34.2	Very low	238 Å²	238	152.6 Å²	152.6	90%	0.898	85%	0.846	S	S	*	*			trans	-89.7	144.4	167.1	-76.2	173.8	164.6	164.3	-6.5	110.1
703	G	29.2	Very low	33.6	Very low	81 Å²	81	150 Å²	150	84%	0.835	84%	0.841	S	S	*	*			trans	128.2	126.3	150.9	0	0	0	0	0	117.7
704	G	31.2	Very low	33.2	Very low	86 Å²	86	150.7 Å²	150.7	89%	0.887	84%	0.841	S	S	*	*			trans	90	148.8	158.9	0	0	0	0	0	117.9
705	G	30.1	Very low	32.4	Very low	80 Å²	80	153.4 Å²	153.4	83%	0.825	85%	0.846	S	S	*	*			trans	87.2	62.8	166.3	0	0	0	0	0	116.7
706	H	31.6	Very low	31.9	Very low	188 Å²	188	151.4 Å²	151.4	87%	0.87	84%	0.843	S	S	*	*				65.5	107.3	84.5	-109.1	34.6	0	0	0	118.5
707	R	29.6	Very low	31.7	Very low	217 Å²	217	151.3 Å²	151.3	82%	0.819	84%	0.843	S	S	*	*			trans	78.1	138.9	142.4	-56.8	177.8	-176	-169.2	-1	121.7
708	G	30.9	Very low	31.3	Very low	78 Å²	78	149 Å²	149	80%	0.804	84%	0.84	S	S	*	*			trans	101.5	101.8	165.6	0	0	0	0	0	114.5
709	R	28.8	Very low	31	Very low	253 Å²	253	151.1 Å²	151.1	96%	0.955	84%	0.842	S	S	*	*			cis	109.9	103.4	14.9	-167.4	-168.2	-174.6	-156.3	2.4	113
710	G	28.1	Very low	30.5	Very low	85 Å²	85	155 Å²	155	88%	0.876	85%	0.849	S	S	*	*			trans	107.8	135.7	164.6	0	0	0	0	0	114.8
711	G	29.3	Very low	30.3	Very low	78 Å²	78	149.4 Å²	149.4	80%	0.804	85%	0.847	S	S	*	*			cis	-171.4	161.4	-3.8	0	0	0	0	0	114.8
712	F	30.9	Very low	30.1	Very low	198 Å²	198	145.7 Å²	145.7	87%	0.868	85%	0.847	S	S	*	*			trans	-76.1	169.4	168.9	-86.3	-143.2	0	0	0	110.6
713	N	32.6	Very low	30	Very low	125 Å²	125	139 Å²	139	67%	0.668	84%	0.843	S	S	*	*			cis	-157.9	156.8	0.9	-134.4	3.3	0	0	0	114.3
714	M	34.3	Very low	30.8	Very low	168 Å²	168	141.5 Å²	141.5	83%	0.828	84%	0.844	S	S	*	*			trans	19.2	133.1	140.2	-66.9	-68.9	-166	0	0	124
715	R	27.3	Very low	30.6	Very low	256 Å²	256	141 Å²	141	97%	0.966	84%	0.839	S	S	*	*			trans	-165.8	131.7	136.9	-163.8	176.6	-171.3	177.3	2.6	110
716	G	27.8	Very low	30.5	Very low	71 Å²	71	143.7 Å²	143.7	73%	0.732	83%	0.834	S	S	*	*			cis	166	141.5	-13.6	0	0	0	0	0	112.6
717	G	29.9	Very low	30.3	Very low	71 Å²	71	145.4 Å²	145.4	73%	0.732	83%	0.833	S	S	*	*			trans	80.9	151.7	171.3	0	0	0	0	0	116.4
718	N	29.9	Very low	30.2	Very low	157 Å²	157	139.2 Å²	139.2	84%	0.84	84%	0.837	S	S	*	*			cis	-146.6	138.5	-3.9	-89.4	-3.9	0	0	0	110.3
719	F	26.3	Very low	30.1	Very low	215 Å²	215	139.1 Å²	139.1	94%	0.943	84%	0.836	S	S	*	*			trans	-154.6	132.1	153.2	-100.1	-73.7	0	0	0	111.4
720	R	32.1	Very low	30.4	Very low	251 Å²	251	138.2 Å²	138.2	95%	0.947	83%	0.834	S	S	*	*			trans	-140.7	137.7	156.7	-77.2	-175.7	174.9	-173.2	-0.6	105
721	G	29.2	Very low	30.5	Very low	79 Å²	79	142 Å²	142	81%	0.814	83%	0.834	S	S	*	*			cis	166.5	168.7	-5.5	0	0	0	0	0	109.4
722	G	27.7	Very low	30.7	Very low	85 Å²	85	149 Å²	149	88%	0.876	84%	0.836	S	S	*	*			trans	103.8	116	169	0	0	0	0	0	116.3
723	A	34.1	Very low	30.6	Very low	98 Å²	98	151.6 Å²	151.6	81%	0.81	84%	0.84	S	S	*	*			trans	-105.6	178.4	149.1	0	0	0	0	0	106.7
724	P	46	Very low	30.3	Very low	133 Å²	133	149.2 Å²	149.2	86%	0.864	85%	0.845	S	S	*	*			cis	-143.5	-177.7	14.5	43.5	-24.2	0	0	0	117.1
725	G	27.1	Very low	30.2	Very low	75 Å²	75	149 Å²	149	77%	0.773	85%	0.847	S	S	*	*			trans	115.2	157.6	163.3	0	0	0	0	0	115.1
726	N	27	Very low	30.6	Very low	136 Å²	136	144.3 Å²	144.3	73%	0.727	84%	0.838	S	S	*	*			cis	-161.9	158.6	-9.2	-160.6	6	0	0	0	111.6
727	R	28.2	Very low	31.7	Very low	224 Å²	224	146.9 Å²	146.9	85%	0.845	84%	0.842	S	S	*	*			trans	44.7	120.6	158.4	-79.5	168.4	179.2	166	-0.8	122.2
728	G	26.9	Very low	32	Very low	87 Å²	87	152.1 Å²	152.1	90%	0.897	85%	0.847	S	S	*	*			trans	79	165.8	138.2	0	0	0	0	0	117.7
729	G	29.3	Very low	32.1	Very low	76 Å²	76	156.5 Å²	156.5	78%	0.784	85%	0.852	S	S	*	*			cis	179.8	150.4	-6.6	0	0	0	0	0	111.5
730	Y	34.3	Very low	32.2	Very low	234 Å²	234	149.8 Å²	149.8	92%	0.918	84%	0.844	S	S	*	*			trans	-72.9	142.8	177.9	-68.3	-94.6	0	0	0	112.2
731	N	30.9	Very low	32.1	Very low	165 Å²	165	141.9 Å²	141.9	88%	0.882	84%	0.84	S	S	*	*				-169.1	174.3	124	-110.5	-41	0	0	0	116
732	R	32.9	Very low	32.2	Very low	225 Å²	225	142.1 Å²	142.1	85%	0.849	84%	0.843	S	S	*	*			trans	-106.4	168.3	-179.7	-54	173.2	177.3	169.8	-3.5	112.4
733	R	29.3	Very low	32.4	Very low	253 Å²	253	142 Å²	142	96%	0.955	84%	0.841	S	S	*	*			trans	83.8	155	158	-66.4	-177.1	167	-177.5	-4	119.4
734	G	25.8	Very low	32.2	Very low	74 Å²	74	141.5 Å²	141.5	76%	0.763	85%	0.845	S	S	*	*			trans	110.7	103.3	-171.9	0	0	0	0	0	109.4
735	N	32.9	Very low	31.4	Very low	164 Å²	164	138.8 Å²	138.8	88%	0.877	84%	0.842	S	S	*	*			cis	84.4	143.1	29.5	-153.6	25.7	0	0	0	115.4
736	M	34.9	Very low	31.6	Very low	157 Å²	157	141.7 Å²	141.7	77%	0.773	85%	0.851	S	S	*	*			trans	-56.4	159.5	-166.8	-135.7	88	164.3	0	0	115.2
737	P	50.1	Low	31.6	Very low	125 Å²	125	139 Å²	139	81%	0.812	86%	0.855	S	S	*	*				-141	179.1	81	34.3	-15.4	0	0	0	116.7
738	Q	37.7	Very low	32	Very low	181 Å²	181	132 Å²	132	85%	0.846	85%	0.852	S	S	*	*			trans	-66.9	163.5	-173.4	-54.4	175.5	-12.4	0	0	116
739	R	30.4	Very low	32.1	Very low	250 Å²	250	136.9 Å²	136.9	94%	0.943	86%	0.856	S	S	*	*				-175.3	125	109.6	-168.3	173	-170.1	-179.1	2.5	114.3
740	G	29.3	Very low	32	Very low	74 Å²	74	136.3 Å²	136.3	76%	0.763	85%	0.85	S	S	*	*			trans	120.7	110.6	151	0	0	0	0	0	119.4
741	G	30.7	Very low	32.3	Very low	84 Å²	84	134.6 Å²	134.6	87%	0.866	84%	0.843	S	S	*	*			trans	73.5	138.6	165.7	0	0	0	0	0	116.6
742	G	30.6	Very low	33.3	Very low	85 Å²	85	132.7 Å²	132.7	88%	0.876	84%	0.84	S	S	*	*			cis	97.2	114.8	-4.9	0	0	0	0	0	114.6
743	G	31.1	Very low	33.5	Very low	81 Å²	81	131.1 Å²	131.1	84%	0.835	84%	0.835	S	S	*	*			cis	168.1	144.4	-9.6	0	0	0	0	0	113.5
744	G	30.4	Very low	34.7	Very low	88 Å²	88	124.9 Å²	124.9	91%	0.907	83%	0.827	S	S	*	*			trans	77.5	163.2	177.7	0	0	0	0	0	115.6
745	G	30	Very low	34.9	Very low	77 Å²	77	132.5 Å²	132.5	79%	0.794	83%	0.833	S	S	*	*			cis	153.7	113.6	-13	0	0	0	0	0	115.5
746	S	30	Very low	34.6	Very low	136 Å²	136	129.3 Å²	129.3	95%	0.951	83%	0.83	S	S	*	*			trans	72.2	157.2	164.3	-157.3	0	0	0	0	119.8
747	G	28	Very low	35.5	Very low	80 Å²	80	127.1 Å²	127.1	83%	0.825	83%	0.827	S	S	*	*			trans	98.8	122.9	150.8	0	0	0	0	0	117.7
748	G	35.7	Very low	34.5	Very low	76 Å²	76	127.9 Å²	127.9	78%	0.784	83%	0.829	S	S	*	*			trans	-137	149.1	170.2	0	0	0	0	0	112.9
749	I	30.1	Very low	34.4	Very low	189 Å²	189	128.5 Å²	128.5	97%	0.969	83%	0.83	S	S	*	*			trans	-156.2	146.3	175.7	-79.7	140.5	0	0	0	104.6
750	G	26.7	Very low	35.2	Very low	64 Å²	64	122.5 Å²	122.5	66%	0.66	82%	0.823	S	S	*	*			cis	-179.5	161.5	-3.5	0	0	0	0	0	109.6
751	Y	40.9	Very low	35.1	Very low	199 Å²	199	122.5 Å²	122.5	78%	0.78	82%	0.823	S	S	*	*			trans	-74.5	160.8	-174.6	-72.6	-97.9	0	0	0	114.1	Y753	Y751-Y753 HydrophobicContact CD1-CD2 4.27Å; Y751-Y753 HydrophobicContact CD1-CE2 4.04Å; Y751-Y753 HydrophobicContact CE1-CE2 4.15Å
752	P	51.2	Low	35	Very low	125 Å²	125	130.8 Å²	130.8	81%	0.812	83%	0.828	S	S	*	*				-139.4	158	97.3	35.6	-21.4	0	0	0	115.9
753	Y	38.3	Very low	34.7	Very low	191 Å²	191	130.7 Å²	130.7	75%	0.749	83%	0.827	S	S	*	*			trans	-81.9	163.5	175.2	-85.4	-91.2	0	0	0	113.4	Y751	Y751-Y753 HydrophobicContact CD1-CD2 4.27Å; Y751-Y753 HydrophobicContact CD1-CE2 4.04Å; Y751-Y753 HydrophobicContact CE1-CE2 4.15Å
754	P	53.8	Low	34.5	Very low	122 Å²	122	133.2 Å²	133.2	79%	0.792	83%	0.832	S	S	*	*				-146.4	144.3	104.5	36.5	-20.4	0	0	0	118.1
755	R	29.2	Very low	34.5	Very low	234 Å²	234	138.9 Å²	138.9	88%	0.883	83%	0.827	S	S	*	*			trans	9.5	122.4	151.3	-64.6	175.3	169.2	176.8	-4.8	122.3
756	A	27.3	Very low	34.6	Very low	97 Å²	97	139.6 Å²	139.6	80%	0.802	82%	0.82	S	S	*	*				50.1	-174.3	114	0	0	0	0	0	120.8
757	P	54.9	Low	34.8	Very low	112 Å²	112	138.8 Å²	138.8	73%	0.727	81%	0.805	S	S	*	*			cis	-135.7	162.8	-14.8	32.8	-11.5	0	0	0	117.5
758	V	28	Very low	34.9	Very low	140 Å²	140	146.1 Å²	146.1	85%	0.848	81%	0.808	S	S	*	*			trans	44.9	141.4	134	-169.7	0	0	0	0	123.6
759	F	35.6	Very low	34.5	Very low	195 Å²	195	146 Å²	146	86%	0.855	81%	0.806	S	S	*	*			trans	-53.5	154.8	168.1	-96.3	-82.4	0	0	0	115.8
760	P	47.5	Very low	34.5	Very low	123 Å²	123	143.1 Å²	143.1	80%	0.799	79%	0.793	S	S	*	*				-158.6	172.2	93.6	41	-22.1	0	0	0	118.1
761	G	27.4	Very low	34.8	Very low	74 Å²	74	148.8 Å²	148.8	76%	0.763	80%	0.796	S	S	*	*			trans	118.1	99.9	132.6	0	0	0	0	0	121.6
762	R	27.7	Very low	34.3	Very low	258 Å²	258	146 Å²	146	97%	0.974	79%	0.794	S	S	*	*			trans	6.2	110.3	149.8	-68.1	179	168.8	-169.6	-3.2	120.9
763	G	25.2	Very low	33.2	Very low	83 Å²	83	152 Å²	152	86%	0.856	80%	0.801	S	S	*	*				56.2	137.1	106.8	0	0	0	0	0	123.7
764	S	26.3	Very low	32.6	Very low	134 Å²	134	147 Å²	147	94%	0.937	81%	0.807	S	S	*	*			trans	-152.2	178.6	154.3	-164.5	0	0	0	0	111.4
765	Y	30.8	Very low	31.3	Very low	208 Å²	208	145.2 Å²	145.2	82%	0.816	81%	0.811	S	S	*	*			trans	-139.9	149.2	-148.1	-162.7	-97	0	0	0	113.9
766	S	31.7	Very low	31.4	Very low	91 Å²	91	142.7 Å²	142.7	64%	0.636	81%	0.811	S	S	*	*			trans	146.8	125.1	138.3	-72.4	0	0	0	0	117.3
767	N	34.3	Very low	32.1	Very low	119 Å²	119	144 Å²	144	64%	0.636	81%	0.811	S	S	*	*			trans	53.3	150.2	130.3	-64	-53.1	0	0	0	121.5
768	R	30.8	Very low	30.9	Very low	234 Å²	234	145.3 Å²	145.3	88%	0.883	81%	0.812	S	S	*	*			cis	-160.6	148.6	-0.6	-120.8	164.1	-158.9	-174.7	2	110.3
769	G	26.1	Very low	30.8	Very low	73 Å²	73	150.1 Å²	150.1	75%	0.753	82%	0.815	S	S	*	*			trans	-171.4	150.6	169.1	0	0	0	0	0	110.7
770	N	31.6	Very low	30.3	Very low	129 Å²	129	144.7 Å²	144.7	69%	0.69	81%	0.814	S	S	*	*			trans	-166.4	170.5	-174.6	-146.3	-15.9	0	0	0	115.4
771	Y	31.7	Very low	29.3	Very low	183 Å²	183	146 Å²	146	72%	0.718	81%	0.814	S	S	*	*			trans	79.6	91.8	151.7	-63	-37.3	0	0	0	123
772	N	29.9	Very low	29.2	Very low	140 Å²	140	152 Å²	152	75%	0.749	82%	0.815	S	S	*	*				88	146	104.4	-85.3	-17.6	0	0	0	124.4
773	R	28.9	Very low	29.3	Very low	252 Å²	252	145.4 Å²	145.4	95%	0.951	80%	0.8	S	S	*	*			trans	69.5	141.3	170.2	-63.2	179.4	177.6	179	-0.9	116.7
774	G	26.4	Very low	29.6	Very low	85 Å²	85	148.2 Å²	148.2	88%	0.876	79%	0.791	S	S	*	*			cis	136.4	127.8	-12.4	0	0	0	0	0	114.5
775	G	25.4	Very low	29.5	Very low	85 Å²	85	147.5 Å²	147.5	88%	0.876	78%	0.776	S	S	*	*			trans	145	142.8	170.1	0	0	0	0	0	115.5
776	M	31.8	Very low	29.2	Very low	182 Å²	182	145.8 Å²	145.8	90%	0.897	77%	0.773	S	S	*	*			trans	-115.8	153.6	170.1	-118.1	-166	-167.3	0	0	108.3
777	P	42.4	Very low	29	Very low	123 Å²	123	152.6 Å²	152.6	80%	0.799	79%	0.785	S	S	*	*				-155.9	151.7	84.5	39.4	-19.3	0	0	0	119.4
778	N	29.7	Very low	28.5	Very low	140 Å²	140	150.1 Å²	150.1	75%	0.749	79%	0.788	S	S	*	*			trans	-2.3	120.1	143.3	-177.2	10.1	0	0	0	120.6
779	R	25.8	Very low	28.3	Very low	242 Å²	242	151.3 Å²	151.3	91%	0.913	79%	0.792	S	S	*	*				169.9	156.8	129.1	-97.9	175.8	177.6	-175.8	0.7	111.6
780	G	24.2	Very low	28.2	Very low	81 Å²	81	151.5 Å²	151.5	84%	0.835	80%	0.795	S	S	*	*			trans	139.3	70.5	157.5	0	0	0	0	0	118.3
781	N	28.1	Very low	27.9	Very low	149 Å²	149	153.7 Å²	153.7	80%	0.797	81%	0.806	S	S	*	*			trans	-75.6	131.6	162.9	172.8	38.3	0	0	0	110.3
782	Y	25.1	Very low	27.6	Very low	200 Å²	200	151.6 Å²	151.6	78%	0.784	81%	0.807	S	S	*	*			trans	-151.1	131.9	161.6	-124.1	-84.2	0	0	0	113.1	Q784	Y782-Q784 HydrophobicContact CD1-CG 4.39Å; Y782-Q784 HydrophobicContact CE1-CG 4.14Å
783	N	29.2	Very low	27.5	Very low	121 Å²	121	157 Å²	157	65%	0.647	82%	0.817	S	S	*	*			trans	-139.8	125.1	174.1	170.4	14.2	0	0	0	108.2
784	Q	30.7	Very low	27.3	Very low	142 Å²	142	147.9 Å²	147.9	66%	0.664	80%	0.802	S	S	*	*			trans	-142.1	99.3	164.4	-72.5	-160.1	8	0	0	112.2	Y782	Y782-Q784 HydrophobicContact CD1-CG 4.39Å; Y782-Q784 HydrophobicContact CE1-CG 4.14Å
785	N	25.6	Very low	27.1	Very low	119 Å²	119	155.1 Å²	155.1	64%	0.636	81%	0.805	S	S	*	*				31.1	137.8	112.6	-60.1	-23	0	0	0	118.7
786	F	23.7	Very low	27.2	Very low	172 Å²	172	160.4 Å²	160.4	75%	0.754	80%	0.803	S	S	*	*				-170.9	146.1	95.9	-117.7	-79.9	0	0	0	115.7
787	R	27.5	Very low	26.8	Very low	234 Å²	234	159.3 Å²	159.3	88%	0.883	80%	0.801	S	S	*	*			trans	70.4	132	165.7	-51.5	-175.9	-173.7	-163.1	-2.2	117.6
788	G	24.6	Very low	26.2	Very low	67 Å²	67	161.1 Å²	161.1	69%	0.691	80%	0.799	S	S	*	*			cis	155.5	155.6	-9.9	0	0	0	0	0	114.5
789	R	25.5	Very low	26	Very low	258 Å²	258	158.9 Å²	158.9	97%	0.974	79%	0.794	S	S	*	*			trans	69.8	119.4	-170.8	-49.7	-179.1	-179.1	-160.2	0.2	113.3
790	G	23.9	Very low	26.1	Very low	78 Å²	78	156.5 Å²	156.5	80%	0.804	79%	0.794	S	S	*	*			cis	100.4	113.5	-8	0	0	0	0	0	114.9
791	N	25.3	Very low	26	Very low	174 Å²	174	156 Å²	156	93%	0.93	79%	0.788	S	S	*	*			trans	-153.6	151.4	142.6	-144.5	-1	0	0	0	110.5
792	N	26	Very low	25.7	Very low	140 Å²	140	156.5 Å²	156.5	75%	0.749	78%	0.78	S	S	*	*			trans	-113.9	141.1	-171.2	-175.3	11.4	0	0	0	111.3
793	R	28.2	Very low	26.1	Very low	253 Å²	253	154.5 Å²	154.5	96%	0.955	78%	0.783	S	S	*	*			trans	-170	96.7	159.4	-109.6	171	-168.8	178.6	3.2	109.6
794	G	23.8	Very low	25.8	Very low	61 Å²	61	157.5 Å²	157.5	63%	0.629	79%	0.793	S	S	*	*			trans	-86.1	155.2	166.9	0	0	0	0	0	111.8
795	Y	23.7	Very low	25.5	Very low	237 Å²	237	160.6 Å²	160.6	93%	0.929	80%	0.799	S	S	*	*			trans	-147.4	127.9	147.9	-114.7	-83	0	0	0	107.1
796	K	26	Very low	25.5	Very low	196 Å²	196	164 Å²	164	85%	0.852	81%	0.811	S	S	*	*			trans	-64.7	143.2	166.5	-77.1	-174.1	175.1	-174.2	0	108.1
797	N	24.5	Very low	25.7	Very low	158 Å²	158	163.9 Å²	163.9	85%	0.845	81%	0.812	S	S	*	*			trans	-149.6	129	151.1	-156.4	-23.1	0	0	0	108.7
798	Q	29.9	Very low	25.6	Very low	161 Å²	161	155.6 Å²	155.6	75%	0.752	80%	0.8	S	S	*	*			trans	-111.3	114	-168.8	-178.4	165.8	-22	0	0	107.4
799	S	25.7	Very low	25.8	Very low	94 Å²	94	161 Å²	161	66%	0.657	81%	0.807	S	S	*	*			trans	-154.5	142	-179.2	-161.2	0	0	0	0	111
800	Q	26.8	Very low	25.7	Very low	192 Å²	192	158 Å²	158	90%	0.897	80%	0.801	S	S	*	*			trans	-59.1	140.5	-168.5	-60	157.2	-23.7	0	0	114.2
801	G	22.4	Very low	26	Very low	69 Å²	69	163.9 Å²	163.9	71%	0.711	80%	0.8	S	S	*	*				111.8	157.8	129.1	0	0	0	0	0	119.7
802	Y	22.1	Very low	25.9	Very low	161 Å²	161	158.8 Å²	158.8	63%	0.631	79%	0.788	S	S	*	*			trans	75.4	120	167	-79.9	-74.4	0	0	0	121.4	V246 Q804	V246-Y802 HydrophobicContact CB-CD1 4.03Å; V246-Y802 HydrophobicContact CB-CE1 3.42Å; V246-Y802 VanDerWaalsContact CB-CE1 3.42Å; V246-Y802 HydrophobicContact CG1-CD1 4.47Å; V246-Y802 HydrophobicContact CG1-CE1 3.99Å; V246-Y802 HydrophobicContact CG2-CD1 3.7Å; V246-Y802 HydrophobicContact CG2-CE1 3.59Å; V246-Y802 HydrophobicContact CG2-CG 4.27Å; Y802-Q804 PolarHBondContact O-N 3.24Å
803	N	32.8	Very low	25.9	Very low	158 Å²	158	160 Å²	160	85%	0.845	79%	0.789	S	S	*	*			trans	-41.7	119.9	150	-102.9	-60.1	0	0	0	112
804	Q	23.6	Very low	25.8	Very low	184 Å²	184	156.2 Å²	156.2	86%	0.86	78%	0.779	S	S	*	*			trans	-118.4	116.5	160.1	-172.3	168.4	15.2	0	0	110.6	Y802 Q806	Y802-Q804 PolarHBondContact O-N 3.24Å; Q804-Q806 PolarHBondContact O-N 2.89Å
805	W	24.9	Very low	26	Very low	207 Å²	207	159.2 Å²	159.2	78%	0.784	79%	0.788	S	S	*	*			trans	-57.1	128.5	170	-81.8	63.1	0	0	0	111.3	Q807	W805-Q807 HydrophobicContact CE3-CG 3.7Å; W805-Q807 HydrophobicContact CZ3-CG 4.15Å
806	Q	25.7	Very low	26.3	Very low	190 Å²	190	156.4 Å²	156.4	89%	0.888	78%	0.776	S	S	*	*			trans	-95.5	100.6	147.6	-69.5	-157.5	26.1	0	0	109.5	Q804	Q804-Q806 PolarHBondContact O-N 2.89Å
807	Q	26.8	Very low	26.6	Very low	169 Å²	169	152.2 Å²	152.2	79%	0.79	77%	0.771	S	S	*	*			trans	-76.4	115.8	151.8	-67.6	-170.7	7.4	0	0	107.4	W805	W805-Q807 HydrophobicContact CE3-CG 3.7Å; W805-Q807 HydrophobicContact CZ3-CG 4.15Å
808	G	24.6	Very low	26.7	Very low	60 Å²	60	152 Å²	152	62%	0.619	77%	0.765	S	S	*	*			trans	-169.3	102	-177.9	0	0	0	0	0	114.4
809	Q	29.1	Very low	26.4	Very low	182 Å²	182	152.3 Å²	152.3	85%	0.85	77%	0.766	S	S	*	*			trans	46.8	81.7	144.7	-60.5	-67.8	-15.5	0	0	117.8
810	F	25.1	Very low	26.4	Very low	194 Å²	194	158.3 Å²	158.3	85%	0.851	78%	0.776	S	S	*	*			trans	-153.4	177.2	139.7	-99.5	-66	0	0	0	109.9
811	W	28.5	Very low	26.3	Very low	202 Å²	202	157.8 Å²	157.8	77%	0.765	77%	0.773	S	S	*	*			trans	72.7	46.5	-175.5	-45.2	117.7	0	0	0	116.4	W816	W811-W816 AromaticContact CH2-CZ2 3.99Å; W811-W816 HydrophobicContact CH2-CZ2 3.99Å; W811-W816 AromaticContact CZ3-CZ2 3.97Å; W811-W816 HydrophobicContact CZ3-CZ2 3.97Å; W811-W816 AromaticContact CZ3-NE1 3.89Å
812	G	24.6	Very low	26.5	Very low	66 Å²	66	164.1 Å²	164.1	68%	0.68	78%	0.784	S	S	*	*			trans	-86.7	155.2	133	0	0	0	0	0	110.2
813	Q	25.3	Very low	26.8	Very low	167 Å²	167	159 Å²	159	78%	0.78	78%	0.78	S	S	*	*	S	Bend	trans	77.2	128.7	174	-72.2	-70.6	-8.5	0	0	119.7
814	K	25.4	Very low	26.5	Very low	173 Å²	173	162.9 Å²	162.9	75%	0.752	79%	0.785	S	S	*	*			trans	69.3	139.7	162.3	-63.5	-170.9	176.9	-174.1	0	120.5
815	P	27.9	Very low	26.8	Very low	123 Å²	123	168.7 Å²	168.7	80%	0.799	80%	0.801	S	S	*	*			trans	-75	145.6	169.6	33.5	-34.5	0	0	0	110.4	S817	P815-S817 PolarHBondContact O-N 3.43Å
816	W	30.8	Very low	26.9	Very low	179 Å²	179	166.8 Å²	166.8	68%	0.678	80%	0.802	S	S	*	*			trans	-87.2	96.3	-179.5	-83.3	84.3	0	0	0	111.9	W811 Q818	W811-W816 AromaticContact CH2-CZ2 3.99Å; W811-W816 HydrophobicContact CH2-CZ2 3.99Å; W811-W816 AromaticContact CZ3-CZ2 3.97Å; W811-W816 HydrophobicContact CZ3-CZ2 3.97Å; W811-W816 AromaticContact CZ3-NE1 3.89Å; W816-Q818 HydrophobicContact CE3-CG 4.21Å; W816-Q818 HydrophobicContact CZ3-CG 4.36Å
817	S	31.4	Very low	26.9	Very low	108 Å²	108	165.6 Å²	165.6	76%	0.755	80%	0.797	S	S	*	*			trans	-68.8	133.6	143	56.2	0	0	0	0	108.5	P815	P815-S817 PolarHBondContact O-N 3.43Å
818	Q	28.2	Very low	27	Very low	153 Å²	153	165.4 Å²	165.4	72%	0.715	80%	0.798	S	S	*	*			trans	-124.6	109.3	167.4	-135.5	178	57.1	0	0	109.9	W816	W816-Q818 HydrophobicContact CE3-CG 4.21Å; W816-Q818 HydrophobicContact CZ3-CG 4.36Å
819	H	23.5	Very low	27.1	Very low	167 Å²	167	171.6 Å²	171.6	77%	0.773	81%	0.808	S	S	*	*			trans	17	99.4	163.9	-65	85	0	0	0	117.8	H821	H819-H821 PolarHBondContact O-N 3.3Å
820	Y	25.9	Very low	27	Very low	221 Å²	221	170.9 Å²	170.9	87%	0.867	81%	0.806	S	S	*	*			trans	-44.9	131.4	147.3	-65.9	-93	0	0	0	109.7
821	H	24.3	Very low	27.1	Very low	181 Å²	181	169.4 Å²	169.4	84%	0.838	80%	0.803	S	S	*	*			trans	-76.9	136.5	152.7	-85.4	37.7	0	0	0	107.9	H819	H819-H821 PolarHBondContact O-N 3.3Å
822	Q	26.6	Very low	27	Very low	201 Å²	201	167.1 Å²	167.1	94%	0.939	81%	0.805	S	S	*	*			trans	-108.2	115.9	-172.2	-167.4	171.4	20	0	0	109.2
823	G	27.3	Very low	27.2	Very low	54 Å²	54	174.8 Å²	174.8	56%	0.557	82%	0.815	S	S	*	*			trans	96.3	130.4	-159.6	0	0	0	0	0	109.6
824	Y	28.2	Very low	27.4	Very low	239 Å²	239	175.5 Å²	175.5	94%	0.937	82%	0.818	S	S	*	*			cis	-111.9	174.4	24.4	-83.8	-101.8	0	0	0	115.2
825	Y	28.8	Very low	27.5	Very low	307 Å²	307	175.7 Å²	175.7	100%	1.204	82%	0.824	S	S	*	*			trans	-84.9	0	169	-79.7	-99.9	0	0	0	110.7

Retrieved 825 of 825 residues in 958.5 ms (Link to these results)

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