A0A077Z7I3_TRITR Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A077Z7I3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 708 aa.

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(Predicted Aligned Error values between residue pairs)

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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	31.3	Very low	31.7	Very low	205 Å²	205	125.1 Å²	125.1	100%	1.01	60%	0.6	S	S	*	*				0	108.5	0	-79.9	175.3	178.2	0	0	107.9	F3	M1-F3 HydrophobicContact CB-CD2 4.31Å; M1-F3 HydrophobicContact CB-CE2 3.95Å; M1-F3 HydrophobicContact CB-CZ 4.21Å; M1-F3 PolarHBondContact O-N 2.69Å; M1-F3 HydrophobicContact SD-CE2 4.36Å; M1-F3 HydrophobicContact SD-CZ 3.97Å
2	F	24.6	Very low	33	Very low	219 Å²	219	124.1 Å²	124.1	96%	0.961	60%	0.6	S	S	*	*			trans	-70.3	105.9	169.5	-85.8	-95.8	0	0	0	107.5
3	F	27.4	Very low	35.3	Very low	125 Å²	125	117.9 Å²	117.9	55%	0.548	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-93.8	127.3	169.9	-73.5	-58.1	0	0	0	108.1	M1 R8	M1-F3 HydrophobicContact CB-CD2 4.31Å; M1-F3 HydrophobicContact CB-CE2 3.95Å; M1-F3 HydrophobicContact CB-CZ 4.21Å; M1-F3 PolarHBondContact O-N 2.69Å; M1-F3 HydrophobicContact SD-CE2 4.36Å; M1-F3 HydrophobicContact SD-CZ 3.97Å; F3-R8 VanDerWaalsContact CB-NH1 3.34Å; F3-R8 VanDerWaalsContact CD1-NH2 3.26Å
4	P	28.7	Very low	38.6	Very low	81 Å²	81	111.1 Å²	111.1	53%	0.526	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-62.1	127.2	-176	24.5	-32	0	0	0	109.6
5	P	27.5	Very low	41.9	Very low	97 Å²	97	106.9 Å²	106.9	63%	0.63	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	152	173.3	31.4	-30.8	0	0	0	108.4
6	N	31.3	Very low	45.1	Very low	58 Å²	58	100.2 Å²	100.2	31%	0.31	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	2.5	165.5	-53	-24.4	0	0	0	121.1	S261 M262	N6-S261 PolarHBondContact ND2-O 2.96Å; N6-S261 VanDerWaalsContact ND2-O 3.1Å; N6-M262 WeakPolarHBondContact ND2-CA 3.46Å
7	K	31.2	Very low	48	Very low	178 Å²	178	94.4 Å²	94.4	77%	0.774	46%	0.463	S	S	*	.	S	Bend	trans	-110.2	-5.8	153.7	-76	-172	178.9	-177.9	0	114.1
8	R	29.7	Very low	50.8	Low	125 Å²	125	89.8 Å²	89.8	47%	0.472	44%	0.44	S	S	.	.	S	Bend	trans	-104.3	-15.8	-159.2	-70.5	179.6	174.2	-135.8	-0.5	116.8	F3	F3-R8 VanDerWaalsContact CB-NH1 3.34Å; F3-R8 VanDerWaalsContact CD1-NH2 3.26Å
9	L	31	Very low	53.3	Low	130 Å²	130	85.1 Å²	85.1	68%	0.681	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-22.1	-174.2	-94.4	142.3	0	0	0	114.1
10	F	40.4	Very low	55.5	Low	109 Å²	109	80.9 Å²	80.9	48%	0.478	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-25.3	-169.4	-60.4	-68.9	0	0	0	114.4	S13 R238	F10-S13 PolarHBondContact O-OG 2.97Å; F10-R238 PolarHBondContact O-NH2 3.31Å
11	F	45.3	Very low	57.5	Low	49 Å²	49	79.1 Å²	79.1	22%	0.215	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-35.5	178.5	-64.3	-76.4	0	0	0	111.8	S13 D14 F43 A46	F11-S13 PolarHBondContact O-N 2.97Å; F11-S13 VanDerWaalsContact O-N 3.16Å; F11-D14 PolarHBondContact O-N 3.48Å; F11-D14 VanDerWaalsContact O-N 3.16Å; F11-F43 HydrophobicContact CB-CD1 4.03Å; F11-F43 HydrophobicContact CB-CD2 4.29Å; F11-F43 HydrophobicContact CB-CE1 4.13Å; F11-F43 HydrophobicContact CB-CE2 4.4Å; F11-F43 HydrophobicContact CB-CG 4.1Å; F11-F43 HydrophobicContact CB-CZ 4.32Å; F11-F43 HydrophobicContact CD1-CD1 4.16Å; F11-F43 AromaticContact CD1-CE1 3.86Å; F11-F43 HydrophobicContact CD1-CE1 3.86Å; F11-F43 HydrophobicContact CD1-CZ 4.5Å; F11-F43 HydrophobicContact CG-CD1 4.44Å; F11-F43 HydrophobicContact CG-CE1 4.45Å; F11-F43 WeakPolarHBondContact O-CD2 3.3Å; F11-F43 WeakPolarHBondContact O-CE2 3.33Å; F11-F43 WeakPolarHBondContact O-CZ 3.26Å; F11-A46 HydrophobicContact CD2-CB 4.12Å; F11-A46 WeakPolarHBondContact CE1-O 3.39Å; F11-A46 HydrophobicContact CE2-CB 3.63Å; F11-A46 HydrophobicContact CZ-CB 4.04Å; F11-A46 VanDerWaalsContact CZ-O 3.3Å; F11-A46 WeakPolarHBondContact CZ-O 3.34Å
12	L	48.1	Very low	60.7	Low	113 Å²	113	69.7 Å²	69.7	59%	0.592	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-64.5	-21.3	179	-67.5	171.3	0	0	0	113.1	D14 I15	L12-D14 PolarHBondContact O-N 2.99Å; L12-I15 HydrophobicContact CD2-CD1 3.97Å
13	S	63	Low	64	Low	44 Å²	44	62.2 Å²	62.2	31%	0.308	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-71.3	-14.9	177.9	70.1	0	0	0	0	114	F10 F11 T77 R238	F10-S13 PolarHBondContact O-OG 2.97Å; F11-S13 PolarHBondContact O-N 2.97Å; F11-S13 VanDerWaalsContact O-N 3.16Å; S13-T77 VanDerWaalsContact O-CB 3.23Å; S13-T77 WeakPolarHBondContact O-CB 3.45Å; S13-T77 PolarHBondContact O-OG1 3.16Å; S13-R238 PolarHBondContact OG-NH2 2.79Å
14	D	80.5	Confident	67.2	Low	23 Å²	23	59.6 Å²	59.6	12%	0.123	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-101.3	-0.3	-172	-60.3	-15.2	0	0	0	112	F11 L12 G16 A17 I40 F43 R238	F11-D14 PolarHBondContact O-N 3.48Å; F11-D14 VanDerWaalsContact O-N 3.16Å; L12-D14 PolarHBondContact O-N 2.99Å; D14-G16 PolarHBondContact O-N 2.92Å; D14-A17 WeakPolarHBondContact O-CB 3.35Å; D14-A17 PolarHBondContact O-N 3.48Å; D14-I40 HydrophobicContact CB-CD1 4.26Å; D14-F43 HydrophobicContact CB-CE2 4.25Å; D14-F43 HydrophobicContact CB-CZ 4.1Å; D14-R238 IonicContact OD1-NH2 2.87Å; D14-R238 IonicContact OD2-NH2 3.3Å
15	I	89	Confident	70.5	Confident	47 Å²	47	57.3 Å²	57.3	24%	0.241	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	125.3	172.5	-65	174.8	0	0	0	109.1	L12 F43 T77	L12-I15 HydrophobicContact CD2-CD1 3.97Å; I15-F43 HydrophobicContact CG1-CD2 4.25Å; I15-F43 HydrophobicContact CG1-CE2 4.33Å; I15-T77 WeakPolarHBondContact O-CG2 3.38Å
16	G	93.2	Very high	73.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	-13.8	-174.4	0	0	0	0	0	115.2	D14 R18 I40 P76 G208	D14-G16 PolarHBondContact O-N 2.92Å; G16-R18 PolarHBondContact O-N 3.29Å; G16-I40 PolarHBondContact N-O 3.35Å; G16-P76 WeakPolarHBondContact O-CB 2.9Å; G16-G208 WeakPolarHBondContact CA-O 3.5Å
17	A	94.8	Very high	76.8	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.008	28%	0.282	C	S	.	.			trans	-60.4	141.7	180	0	0	0	0	0	110.9	D14 I40 V71 T77	D14-A17 WeakPolarHBondContact O-CB 3.35Å; D14-A17 PolarHBondContact O-N 3.48Å; A17-I40 HydrophobicContact CB-CD1 4Å; A17-I40 HydrophobicContact CB-CG1 4.43Å; A17-I40 PolarHBondContact O-N 2.85Å; A17-V71 HydrophobicContact CB-CG1 4.46Å; A17-T77 HydrophobicContact CB-CG2 3.74Å; A17-T77 VanDerWaalsContact N-CG2 3.33Å
18	R	97.5	Very high	79.8	Confident	13 Å²	13	57.4 Å²	57.4	5%	0.049	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	125.3	178.2	-52.9	-72.1	-78.6	152.8	3.9	108.3	G16 V37 G38 T39 D54 L72 D73 P76	G16-R18 PolarHBondContact O-N 3.29Å; R18-V37 HydrophobicContact CB-CG1 3.94Å; R18-G38 CarbonylContact C-O 3.43Å; R18-G38 VanDerWaalsContact CA-O 3.3Å; R18-G38 WeakPolarHBondContact CA-O 3.34Å; R18-T39 PolarHBondContact NH1-OG1 2.99Å; R18-D54 IonicContact CZ-OD1 2.79Å; R18-D54 IonicContact CZ-OD2 3.83Å; R18-D54 IonicContact NH1-OD1 3.18Å; R18-D54 PolarHBondContact NH1-OD1 3.37Å; R18-D54 IonicContact NH1-OD2 2.71Å; R18-D54 IonicContact NH2-OD1 2.71Å; R18-D54 PolarHBondContact NH2-OD1 3Å; R18-D54 VanDerWaalsContact NH2-OD1 3.1Å; R18-D54 IonicContact NH2-OD2 3.43Å; R18-D54 PolarHBondContact NH2-OD2 3.39Å; R18-L72 WeakPolarHBondContact O-CA 3.5Å; R18-L72 WeakPolarHBondContact O-CB 3.49Å; R18-L72 PolarHBondContact O-N 3.42Å; R18-D73 HydrophobicContact CB-CB 4.16Å; R18-D73 HydrophobicContact CG-CB 4.46Å; R18-D73 PolarHBondContact N-O 3.18Å; R18-D73 PolarHBondContact O-N 3.27Å; R18-P76 HydrophobicContact CG-CG 3.94Å
19	V	97.7	Very high	83	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	158.3	-171.1	-66.3	0	0	0	0	112.3	V37 G38 I40 V51 L69 R70	V19-V37 WeakPolarHBondContact O-CA 3.15Å; V19-G38 PolarHBondContact N-O 3.42Å; V19-G38 PolarHBondContact O-N 3.01Å; V19-I40 HydrophobicContact CG1-CD1 3.8Å; V19-I40 HydrophobicContact CG1-CG1 3.74Å; V19-I40 HydrophobicContact CG2-CG1 4.38Å; V19-V51 HydrophobicContact CG2-CG1 3.84Å; V19-V51 HydrophobicContact CG2-CG2 4.01Å; V19-L69 HydrophobicContact CG2-CD2 4.23Å; V19-R70 VanDerWaalsContact CA-O 3.26Å; V19-R70 WeakPolarHBondContact CA-O 3.33Å; V19-R70 WeakPolarHBondContact CB-O 3.48Å
20	V	98.3	Very high	86	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	168.8	170.6	-61.5	0	0	0	0	109.1	H36 V37 L69 R70 L72 Y226 L231	V20-H36 WeakPolarHBondContact CG1-O 3Å; V20-V37 HydrophobicContact CG1-CG2 4.15Å; V20-L69 CarbonylContact O-C 3.54Å; V20-L69 WeakPolarHBondContact O-CA 3.41Å; V20-R70 HydrophobicContact CG2-CB 3.95Å; V20-R70 PolarHBondContact N-O 3.21Å; V20-R70 PolarHBondContact O-N 3.02Å; V20-L72 HydrophobicContact CG1-CB 4.18Å; V20-L72 HydrophobicContact CG1-CD2 3.95Å; V20-Y226 HydrophobicContact CG2-CE2 4.09Å; V20-L231 HydrophobicContact CG2-CD1 3.93Å
21	R	98.1	Very high	88.7	Confident	45 Å²	45	51.5 Å²	51.5	17%	0.17	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	138.9	177.4	65.2	170.4	70.2	-161.9	-3.7	114.3	W25 D28 D31 G33 R70	R21-W25 HydrophobicContact CB-CB 4.08Å; R21-W25 HydrophobicContact CB-CD2 3.53Å; R21-W25 HydrophobicContact CB-CE3 3.6Å; R21-W25 HydrophobicContact CB-CG 3.78Å; R21-W25 HydrophobicContact CB-CZ3 4.22Å; R21-D28 PolarHBondContact NH1-O 2.9Å; R21-D28 PolarHBondContact NH2-O 3.5Å; R21-D31 IonicContact CZ-OD1 2.73Å; R21-D31 IonicContact CZ-OD2 3Å; R21-D31 VanDerWaalsContact CZ-OD2 3.23Å; R21-D31 IonicContact NE-OD1 3.38Å; R21-D31 IonicContact NE-OD2 3.59Å; R21-D31 PolarHBondContact NE-OD2 3.31Å; R21-D31 IonicContact NH2-OD1 2.61Å; R21-D31 PolarHBondContact NH2-OD1 3.26Å; R21-D31 IonicContact NH2-OD2 3.86Å; R21-D31 PolarHBondContact NH2-OD2 3.24Å; R21-G33 VanDerWaalsContact NH2-CA 3.26Å; R21-R70 PolarHBondContact O-NH1 3.2Å
22	G	96.6	Very high	91.1	Very high	6 Å²	6	50.4 Å²	50.4	6%	0.062	26%	0.257	C	S	.	.			trans	-90.6	-177.8	-176.5	0	0	0	0	0	114.3	D24 Y67 D68 R70	G22-D24 VanDerWaalsContact C-N 3.32Å; G22-Y67 CarbonylContact C-O 3.53Å; G22-Y67 WeakPolarHBondContact CA-O 3.27Å; G22-D68 VanDerWaalsContact CA-C 3.47Å; G22-D68 WeakPolarHBondContact CA-O 3.46Å; G22-D68 VanDerWaalsContact N-C 3.29Å; G22-D68 PolarHBondContact N-O 3.42Å; G22-R70 VanDerWaalsContact CA-NH1 3.26Å; G22-R70 PolarHBondContact O-NH1 3.46Å; G22-R70 VanDerWaalsContact O-NH1 3.08Å
23	P	94	Very high	93.4	Very high	63 Å²	63	45.6 Å²	45.6	41%	0.409	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-35.1	179.4	23.3	-33.8	0	0	0	113.3	Y67 R70	P23-Y67 WeakPolarHBondContact CD-O 3.49Å; P23-R70 VanDerWaalsContact N-NH1 3.16Å
24	D	95.3	Very high	95.1	Very high	69 Å²	69	46.8 Å²	46.8	37%	0.369	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	17.7	-171.7	-54.7	-54	0	0	0	113	G22 Q26 R62 A66 Y67 D68	G22-D24 VanDerWaalsContact C-N 3.32Å; D24-Q26 PolarHBondContact O-N 2.83Å; D24-R62 PolarHBondContact O-NH2 2.51Å; D24-A66 HydrophobicContact CB-CB 3.98Å; D24-Y67 PolarHBondContact N-O 3.23Å; D24-Y67 VanDerWaalsContact N-O 3.16Å; D24-Y67 PolarHBondContact OD2-N 3.35Å; D24-D68 VanDerWaalsContact O-OD1 3.1Å
25	W	97.2	Very high	95.9	Very high	34 Å²	34	45.7 Å²	45.7	13%	0.129	23%	0.229	C	C	.	.			trans	-60	120.2	-177.5	-178.5	-86.3	0	0	0	112.2	R21 W27 D28 Q30 D31 W53 Y61 D68 L69	R21-W25 HydrophobicContact CB-CB 4.08Å; R21-W25 HydrophobicContact CB-CD2 3.53Å; R21-W25 HydrophobicContact CB-CE3 3.6Å; R21-W25 HydrophobicContact CB-CG 3.78Å; R21-W25 HydrophobicContact CB-CZ3 4.22Å; W25-W27 HydrophobicContact CD2-CB 4.34Å; W25-W27 AromaticContact CD2-CD1 4Å; W25-W27 AromaticContact CE3-CD1 3.8Å; W25-W27 HydrophobicContact CH2-CB 4.18Å; W25-W27 HydrophobicContact CZ2-CB 3.77Å; W25-D28 PolarHBondContact NE1-O 3.18Å; W25-Q30 HydrophobicContact CH2-CB 4.48Å; W25-Q30 HydrophobicContact CZ2-CB 4.26Å; W25-D31 HydrophobicContact CH2-CB 3.77Å; W25-D31 HydrophobicContact CZ2-CB 3.85Å; W25-W53 HydrophobicContact CH2-CH2 4.28Å; W25-W53 AromaticContact CH2-CZ2 3.54Å; W25-W53 HydrophobicContact CH2-CZ2 3.54Å; W25-W53 HydrophobicContact CZ3-CH2 4.21Å; W25-W53 AromaticContact CZ3-CZ2 3.63Å; W25-W53 HydrophobicContact CZ3-CZ2 3.63Å; W25-Y61 HydrophobicContact CE3-CE1 4.43Å; W25-Y61 HydrophobicContact CH2-CD1 4.43Å; W25-Y61 AromaticContact CH2-CE1 3.61Å; W25-Y61 HydrophobicContact CH2-CE1 3.61Å; W25-Y61 AromaticContact CH2-CZ 3.76Å; W25-Y61 AromaticContact CZ3-CD1 3.86Å; W25-Y61 HydrophobicContact CZ3-CD1 3.86Å; W25-Y61 AromaticContact CZ3-CE1 3.49Å; W25-Y61 HydrophobicContact CZ3-CE1 3.49Å; W25-Y61 VanDerWaalsContact CZ3-CE1 3.49Å; W25-Y61 AromaticContact CZ3-CZ 3.92Å; W25-D68 HydrophobicContact CE3-CB 4.48Å; W25-D68 VanDerWaalsContact CE3-O 3.26Å; W25-L69 HydrophobicContact CZ3-CD2 4.24Å
26	Q	96.1	Very high	96.3	Very high	118 Å²	118	44.1 Å²	44.1	55%	0.551	22%	0.221	S	C	*	.			trans	-125.9	16.1	179.6	63.9	-176	18.2	0	0	113.2	D24	D24-Q26 PolarHBondContact O-N 2.83Å
27	W	95.9	Very high	96.6	Very high	77 Å²	77	44.2 Å²	44.2	29%	0.292	22%	0.221	S	C	.	.	S	Bend	trans	-107	37.2	-167.8	-45.1	106.4	0	0	0	113	W25 K29 Q30 Y61 D68	W25-W27 HydrophobicContact CD2-CB 4.34Å; W25-W27 AromaticContact CD2-CD1 4Å; W25-W27 AromaticContact CE3-CD1 3.8Å; W25-W27 HydrophobicContact CH2-CB 4.18Å; W25-W27 HydrophobicContact CZ2-CB 3.77Å; W27-K29 PolarHBondContact O-N 3.44Å; W27-K29 VanDerWaalsContact O-N 3.13Å; W27-Q30 HydrophobicContact CB-CG 4.34Å; W27-Q30 WeakPolarHBondContact O-CB 3.34Å; W27-Q30 WeakPolarHBondContact O-CG 3.36Å; W27-Q30 PolarHBondContact O-N 3.12Å; W27-Q30 VanDerWaalsContact O-N 3.1Å; W27-Y61 HydrophobicContact CB-CE1 4.21Å; W27-Y61 AromaticContact CD1-CD1 3.6Å; W27-Y61 AromaticContact CD1-CE1 3.56Å; W27-Y61 HydrophobicContact CG-CD1 4.26Å; W27-Y61 AromaticContact CG-CE1 3.85Å; W27-Y61 HydrophobicContact CG-CE1 3.85Å; W27-Y61 AromaticContact NE1-CD1 3.7Å; W27-D68 PolarHBondContact NE1-OD1 3.44Å; W27-D68 PolarHBondContact NE1-OD2 3.12Å
28	D	94.6	Very high	96.7	Very high	139 Å²	139	44.1 Å²	44.1	74%	0.743	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.3	-114.8	178.9	-66.7	-43.2	0	0	0	113.8	R21 W25	R21-D28 PolarHBondContact NH1-O 2.9Å; R21-D28 PolarHBondContact NH2-O 3.5Å; W25-D28 PolarHBondContact NE1-O 3.18Å
29	K	95.9	Very high	96.8	Very high	162 Å²	162	43.5 Å²	43.5	70%	0.704	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.3	29.1	-179.2	-62.8	-175.6	179.7	178	0	112.1	W27 D31 G32	W27-K29 PolarHBondContact O-N 3.44Å; W27-K29 VanDerWaalsContact O-N 3.13Å; K29-D31 PolarHBondContact O-N 3.39Å; K29-G32 PolarHBondContact O-N 2.97Å
30	Q	95	Very high	96.7	Very high	77 Å²	77	43.5 Å²	43.5	36%	0.36	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-36.9	174.6	-75.1	-177	-6.4	0	0	112.3	W25 W27 G32 N55 Y61	W25-Q30 HydrophobicContact CH2-CB 4.48Å; W25-Q30 HydrophobicContact CZ2-CB 4.26Å; W27-Q30 HydrophobicContact CB-CG 4.34Å; W27-Q30 WeakPolarHBondContact O-CB 3.34Å; W27-Q30 WeakPolarHBondContact O-CG 3.36Å; W27-Q30 PolarHBondContact O-N 3.12Å; W27-Q30 VanDerWaalsContact O-N 3.1Å; Q30-G32 VanDerWaalsContact C-N 3.32Å; Q30-G32 PolarHBondContact O-N 3.43Å; Q30-N55 PolarHBondContact O-ND2 2.94Å; Q30-N55 VanDerWaalsContact O-ND2 3.07Å; Q30-Y61 PolarHBondContact OE1-OH 2.87Å
31	D	97	Very high	96.4	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-13	173.5	64.5	-17	0	0	0	114.6	R21 W25 K29 G33 H36 W53	R21-D31 IonicContact CZ-OD1 2.73Å; R21-D31 IonicContact CZ-OD2 3Å; R21-D31 VanDerWaalsContact CZ-OD2 3.23Å; R21-D31 IonicContact NE-OD1 3.38Å; R21-D31 IonicContact NE-OD2 3.59Å; R21-D31 PolarHBondContact NE-OD2 3.31Å; R21-D31 IonicContact NH2-OD1 2.61Å; R21-D31 PolarHBondContact NH2-OD1 3.26Å; R21-D31 IonicContact NH2-OD2 3.86Å; R21-D31 PolarHBondContact NH2-OD2 3.24Å; W25-D31 HydrophobicContact CH2-CB 3.77Å; W25-D31 HydrophobicContact CZ2-CB 3.85Å; K29-D31 PolarHBondContact O-N 3.39Å; D31-G33 PolarHBondContact OD1-N 2.71Å; D31-H36 WeakPolarHBondContact O-CB 3.47Å; D31-W53 HydrophobicContact CB-CD2 3.58Å; D31-W53 HydrophobicContact CB-CE3 3.54Å; D31-W53 HydrophobicContact CB-CG 4.34Å; D31-W53 HydrophobicContact CB-CH2 3.7Å; D31-W53 HydrophobicContact CB-CZ2 3.7Å; D31-W53 HydrophobicContact CB-CZ3 3.61Å
32	G	95.7	Very high	95.9	Very high	27 Å²	27	46.7 Å²	46.7	28%	0.278	24%	0.236	S	C	.	.	S	Bend	trans	98.1	-8.4	-171.1	0	0	0	0	0	115.1	K29 Q30 H36	K29-G32 PolarHBondContact O-N 2.97Å; Q30-G32 VanDerWaalsContact C-N 3.32Å; Q30-G32 PolarHBondContact O-N 3.43Å; G32-H36 VanDerWaalsContact C-ND1 3.3Å; G32-H36 PolarHBondContact O-CE1 3.05Å; G32-H36 PolarHBondContact O-ND1 2.93Å
33	G	96.9	Very high	95.3	Very high	11 Å²	11	48 Å²	48	11%	0.113	24%	0.24	C	C	.	.	S	Bend	trans	120.6	164.5	-179	0	0	0	0	0	114.1	R21 D31 G35 H36	R21-G33 VanDerWaalsContact NH2-CA 3.26Å; D31-G33 PolarHBondContact OD1-N 2.71Å; G33-G35 PolarHBondContact O-N 3.03Å; G33-H36 WeakPolarHBondContact O-CB 3.42Å; G33-H36 PolarHBondContact O-N 3.44Å; G33-H36 PolarHBondContact O-ND1 3.11Å
34	E	97.3	Very high	94.7	Very high	69 Å²	69	50.9 Å²	50.9	32%	0.322	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	122.9	-179.2	-168.9	-179.7	-137.3	0	0	111.2	K144 I146 R228	E34-K144 IonicContact OE1-NZ 3.58Å; E34-K144 IonicContact OE2-NZ 3.1Å; E34-K144 PolarHBondContact OE2-NZ 2.9Å; E34-K144 VanDerWaalsContact OE2-NZ 3.1Å; E34-I146 HydrophobicContact CG-CG2 4.18Å; E34-I146 WeakPolarHBondContact OE2-CD1 3.25Å; E34-R228 VanDerWaalsContact OE1-CD 3.25Å; E34-R228 WeakPolarHBondContact OE1-CD 3.24Å; E34-R228 IonicContact OE1-NH1 3.11Å; E34-R228 PolarHBondContact OE1-NH1 3.5Å; E34-R228 VanDerWaalsContact OE1-NH1 3.11Å
35	G	97	Very high	93.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.6	-7.4	-178.9	0	0	0	0	0	116	G33 A147 I148 R149	G33-G35 PolarHBondContact O-N 3.03Å; G35-A147 WeakPolarHBondContact CA-O 3.15Å; G35-I148 WeakPolarHBondContact O-CA 3.3Å; G35-R149 PolarHBondContact O-N 3.05Å
36	H	98.5	Very high	92.5	Very high	15 Å²	15	50.6 Å²	50.6	7%	0.069	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-76.7	146.2	173.5	-70.4	81.7	0	0	0	112.2	V20 D31 G32 G33 R149 Y217	V20-H36 WeakPolarHBondContact CG1-O 3Å; D31-H36 WeakPolarHBondContact O-CB 3.47Å; G32-H36 VanDerWaalsContact C-ND1 3.3Å; G32-H36 PolarHBondContact O-CE1 3.05Å; G32-H36 PolarHBondContact O-ND1 2.93Å; G33-H36 WeakPolarHBondContact O-CB 3.42Å; G33-H36 PolarHBondContact O-N 3.44Å; G33-H36 PolarHBondContact O-ND1 3.11Å; H36-R149 WeakPolarHBondContact CA-O 2.98Å; H36-Y217 PolarHBondContact CD2-OH 3.03Å
37	V	98.5	Very high	91.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	26%	0.26	C	S	.	.			trans	-105.4	145.2	-171.7	-175.5	0	0	0	0	111.5	R18 V19 V20 D54 L72 I148 R149 F152	R18-V37 HydrophobicContact CB-CG1 3.94Å; V19-V37 WeakPolarHBondContact O-CA 3.15Å; V20-V37 HydrophobicContact CG1-CG2 4.15Å; V37-D54 VanDerWaalsContact O-CB 3.25Å; V37-D54 WeakPolarHBondContact O-CB 3.45Å; V37-D54 PolarHBondContact O-N 3.12Å; V37-L72 HydrophobicContact CG1-CD2 4.33Å; V37-L72 HydrophobicContact CG2-CD2 3.57Å; V37-I148 HydrophobicContact CG2-CG2 3.48Å; V37-I148 VanDerWaalsContact CG2-CG2 3.48Å; V37-R149 WeakPolarHBondContact CG2-O 3.35Å; V37-R149 PolarHBondContact N-O 3.33Å; V37-R149 VanDerWaalsContact N-O 3.09Å; V37-F152 HydrophobicContact CB-CE2 4.5Å; V37-F152 HydrophobicContact CG2-CE2 3.92Å; V37-F152 HydrophobicContact CG2-CZ 4.15Å
38	G	98.3	Very high	91.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	174.4	167.5	0	0	0	0	0	111.8	R18 V19 V52 W53	R18-G38 CarbonylContact C-O 3.43Å; R18-G38 VanDerWaalsContact CA-O 3.3Å; R18-G38 WeakPolarHBondContact CA-O 3.34Å; V19-G38 PolarHBondContact N-O 3.42Å; V19-G38 PolarHBondContact O-N 3.01Å; G38-V52 CarbonylContact C-O 3.5Å; G38-V52 WeakPolarHBondContact CA-O 3.3Å; G38-W53 VanDerWaalsContact N-CE3 3.34Å
39	T	98.3	Very high	91.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.5	178.4	-58.7	0	0	0	0	109.9	R18 R41 V51 V52 V213	R18-T39 PolarHBondContact NH1-OG1 2.99Å; T39-R41 PolarHBondContact O-N 3.34Å; T39-V51 WeakPolarHBondContact O-CA 3.21Å; T39-V52 PolarHBondContact N-O 3.12Å; T39-V52 PolarHBondContact O-N 3.25Å; T39-V213 HydrophobicContact CG2-CG2 3.91Å; T39-V213 WeakPolarHBondContact OG1-CG2 3.19Å
40	I	96.2	Very high	91	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	113.3	166.7	-62.2	-177.2	0	0	0	108.8	D14 G16 A17 V19 F43 V49 G211 L234	D14-I40 HydrophobicContact CB-CD1 4.26Å; G16-I40 PolarHBondContact N-O 3.35Å; A17-I40 HydrophobicContact CB-CD1 4Å; A17-I40 HydrophobicContact CB-CG1 4.43Å; A17-I40 PolarHBondContact O-N 2.85Å; V19-I40 HydrophobicContact CG1-CD1 3.8Å; V19-I40 HydrophobicContact CG1-CG1 3.74Å; V19-I40 HydrophobicContact CG2-CG1 4.38Å; I40-F43 HydrophobicContact CD1-CZ 4.3Å; I40-F43 HydrophobicContact CG2-CD2 4.3Å; I40-F43 HydrophobicContact CG2-CE2 3.63Å; I40-F43 HydrophobicContact CG2-CZ 4.02Å; I40-V49 HydrophobicContact CB-CG2 4.48Å; I40-V49 HydrophobicContact CD1-CG2 4.44Å; I40-V49 HydrophobicContact CG1-CG2 4.29Å; I40-V49 HydrophobicContact CG2-CG2 3.61Å; I40-G211 WeakPolarHBondContact O-CA 3.33Å; I40-L234 HydrophobicContact CD1-CD1 3.73Å; I40-L234 HydrophobicContact CD1-CD2 3.57Å; I40-L234 HydrophobicContact CD1-CG 4.31Å; I40-L234 HydrophobicContact CG1-CD2 4.42Å
41	R	93.2	Very high	91.1	Very high	76 Å²	76	33.4 Å²	33.4	29%	0.287	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-49.3	179.1	179.5	-175.6	-172.1	76.4	-1.4	111.6	T39 V50 V52 D162	T39-R41 PolarHBondContact O-N 3.34Å; R41-V50 HydrophobicContact CB-CB 4.45Å; R41-V50 HydrophobicContact CB-CG1 4.36Å; R41-V50 PolarHBondContact N-O 2.81Å; R41-V52 HydrophobicContact CB-CG2 4.1Å; R41-V52 HydrophobicContact CG-CG2 4.49Å; R41-D162 IonicContact CZ-OD1 3.89Å; R41-D162 IonicContact CZ-OD2 3.84Å; R41-D162 IonicContact NH1-OD1 3.47Å; R41-D162 PolarHBondContact NH1-OD1 3.41Å; R41-D162 IonicContact NH1-OD2 3.05Å; R41-D162 PolarHBondContact NH1-OD2 3.39Å; R41-D162 IonicContact NH2-OD1 3.81Å; R41-D162 PolarHBondContact NH2-OD1 3.47Å
42	S	86.5	Confident	91.1	Very high	35 Å²	35	33.5 Å²	33.5	25%	0.245	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	170.2	-173.7	53.7	0	0	0	0	110.1	V49 V50	S42-V49 WeakPolarHBondContact O-CG2 3.44Å; S42-V50 PolarHBondContact O-N 3.27Å; S42-V50 WeakPolarHBondContact OG-CG2 3.34Å
43	F	84.6	Confident	91.3	Very high	35 Å²	35	32.3 Å²	32.3	15%	0.154	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.2	171	-71.4	-96.9	0	0	0	108.4	F11 D14 I15 I40 V49	F11-F43 HydrophobicContact CB-CD1 4.03Å; F11-F43 HydrophobicContact CB-CD2 4.29Å; F11-F43 HydrophobicContact CB-CE1 4.13Å; F11-F43 HydrophobicContact CB-CE2 4.4Å; F11-F43 HydrophobicContact CB-CG 4.1Å; F11-F43 HydrophobicContact CB-CZ 4.32Å; F11-F43 HydrophobicContact CD1-CD1 4.16Å; F11-F43 AromaticContact CD1-CE1 3.86Å; F11-F43 HydrophobicContact CD1-CE1 3.86Å; F11-F43 HydrophobicContact CD1-CZ 4.5Å; F11-F43 HydrophobicContact CG-CD1 4.44Å; F11-F43 HydrophobicContact CG-CE1 4.45Å; F11-F43 WeakPolarHBondContact O-CD2 3.3Å; F11-F43 WeakPolarHBondContact O-CE2 3.33Å; F11-F43 WeakPolarHBondContact O-CZ 3.26Å; D14-F43 HydrophobicContact CB-CE2 4.25Å; D14-F43 HydrophobicContact CB-CZ 4.1Å; I15-F43 HydrophobicContact CG1-CD2 4.25Å; I15-F43 HydrophobicContact CG1-CE2 4.33Å; I40-F43 HydrophobicContact CD1-CZ 4.3Å; I40-F43 HydrophobicContact CG2-CD2 4.3Å; I40-F43 HydrophobicContact CG2-CE2 3.63Å; I40-F43 HydrophobicContact CG2-CZ 4.02Å; F43-V49 HydrophobicContact CD1-CB 3.78Å; F43-V49 HydrophobicContact CD1-CG2 3.81Å; F43-V49 HydrophobicContact CD2-CG2 4.46Å; F43-V49 HydrophobicContact CE1-CB 3.76Å; F43-V49 HydrophobicContact CE1-CG2 3.6Å; F43-V49 HydrophobicContact CE2-CG2 4.25Å; F43-V49 HydrophobicContact CG-CG2 4.25Å; F43-V49 HydrophobicContact CZ-CB 4.49Å; F43-V49 HydrophobicContact CZ-CG2 3.84Å
44	E	81.5	Confident	91.3	Very high	122 Å²	122	31.8 Å²	31.8	57%	0.57	16%	0.163	S	C	*	.	S	Bend	trans	-76.4	-34.5	172.9	-67.6	-59.7	139.5	0	0	110.2	E48 V50	E44-E48 HydrophobicContact CB-CB 4.42Å; E44-E48 HydrophobicContact CB-CG 4.38Å; E44-E48 PolarHBondContact N-O 3.19Å; E44-V50 HydrophobicContact CG-CG2 3.67Å; E44-V50 WeakPolarHBondContact OE1-CG2 3.42Å
45	S	76.8	Confident	91.3	Very high	51 Å²	51	29.8 Å²	29.8	36%	0.357	16%	0.155	S	C	.	.	S	Bend	trans	-151	-176.4	175.6	76.5	0	0	0	0	110.9	E47 E48	S45-E47 PolarHBondContact O-N 2.87Å; S45-E47 PolarHBondContact OG-N 3.47Å; S45-E47 VanDerWaalsContact OG-N 3.08Å; S45-E48 PolarHBondContact N-O 2.73Å; S45-E48 PolarHBondContact OG-N 2.96Å; S45-E48 VanDerWaalsContact OG-N 3.13Å
46	A	69.4	Low	91.2	Very high	47 Å²	47	31.3 Å²	31.3	39%	0.388	17%	0.17	S	C	.	.	S	Bend	trans	-69.9	-11.2	171.6	0	0	0	0	0	113.3	F11	F11-A46 HydrophobicContact CD2-CB 4.12Å; F11-A46 WeakPolarHBondContact CE1-O 3.39Å; F11-A46 HydrophobicContact CE2-CB 3.63Å; F11-A46 HydrophobicContact CZ-CB 4.04Å; F11-A46 VanDerWaalsContact CZ-O 3.3Å; F11-A46 WeakPolarHBondContact CZ-O 3.34Å
47	E	80.2	Confident	91.1	Very high	123 Å²	123	33.2 Å²	33.2	58%	0.575	18%	0.183	S	C	*	.	S	Bend	trans	-115.5	-12.5	-173.6	-55.5	-179.9	177.3	0	0	112.3	S45 C63 A64	S45-E47 PolarHBondContact O-N 2.87Å; S45-E47 PolarHBondContact OG-N 3.47Å; S45-E47 VanDerWaalsContact OG-N 3.08Å; E47-C63 PolarHBondContact O-N 3.13Å; E47-C63 PolarHBondContact O-SG 3.31Å; E47-A64 HydrophobicContact CB-CB 3.8Å; E47-A64 HydrophobicContact CG-CB 3.67Å
48	E	84.5	Confident	91	Very high	77 Å²	77	35.7 Å²	35.7	36%	0.36	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.6	-173.5	-171	177.6	-166.2	0	0	111.7	E44 S45 N60 Y61	E44-E48 HydrophobicContact CB-CB 4.42Å; E44-E48 HydrophobicContact CB-CG 4.38Å; E44-E48 PolarHBondContact N-O 3.19Å; S45-E48 PolarHBondContact N-O 2.73Å; S45-E48 PolarHBondContact OG-N 2.96Å; S45-E48 VanDerWaalsContact OG-N 3.13Å; E48-N60 HydrophobicContact CG-CB 3.92Å; E48-N60 WeakPolarHBondContact OE1-CB 3.37Å; E48-N60 PolarHBondContact OE1-ND2 3.44Å; E48-Y61 WeakPolarHBondContact CA-O 3.43Å
49	V	91.8	Very high	90.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.4	-177.4	63.3	0	0	0	0	111.4	I40 S42 F43 N60 Y61 C63 L69 L234	I40-V49 HydrophobicContact CB-CG2 4.48Å; I40-V49 HydrophobicContact CD1-CG2 4.44Å; I40-V49 HydrophobicContact CG1-CG2 4.29Å; I40-V49 HydrophobicContact CG2-CG2 3.61Å; S42-V49 WeakPolarHBondContact O-CG2 3.44Å; F43-V49 HydrophobicContact CD1-CB 3.78Å; F43-V49 HydrophobicContact CD1-CG2 3.81Å; F43-V49 HydrophobicContact CD2-CG2 4.46Å; F43-V49 HydrophobicContact CE1-CB 3.76Å; F43-V49 HydrophobicContact CE1-CG2 3.6Å; F43-V49 HydrophobicContact CE2-CG2 4.25Å; F43-V49 HydrophobicContact CG-CG2 4.25Å; F43-V49 HydrophobicContact CZ-CB 4.49Å; F43-V49 HydrophobicContact CZ-CG2 3.84Å; V49-N60 CarbonylContact O-C 3.52Å; V49-N60 VanDerWaalsContact O-CA 3.3Å; V49-N60 WeakPolarHBondContact O-CA 3.48Å; V49-Y61 WeakPolarHBondContact CG1-O 3.44Å; V49-Y61 PolarHBondContact N-O 3.02Å; V49-Y61 PolarHBondContact O-N 3.5Å; V49-C63 HydrophobicContact CG1-CB 4.31Å; V49-L69 HydrophobicContact CG1-CD1 3.55Å; V49-L234 HydrophobicContact CB-CD2 4.43Å; V49-L234 HydrophobicContact CG1-CD2 3.85Å; V49-L234 HydrophobicContact CG2-CD2 4.27Å
50	V	93.4	Very high	90.6	Very high	12 Å²	12	40.1 Å²	40.1	7%	0.073	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.7	175.2	-170.8	0	0	0	0	109.5	R41 S42 E44	R41-V50 HydrophobicContact CB-CB 4.45Å; R41-V50 HydrophobicContact CB-CG1 4.36Å; R41-V50 PolarHBondContact N-O 2.81Å; S42-V50 PolarHBondContact O-N 3.27Å; S42-V50 WeakPolarHBondContact OG-CG2 3.34Å; E44-V50 HydrophobicContact CG-CG2 3.67Å; E44-V50 WeakPolarHBondContact OE1-CG2 3.42Å
51	V	97.3	Very high	90.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.2	175.9	176.9	0	0	0	0	110.1	V19 T39 W53 A58 A59 Y61 L69	V19-V51 HydrophobicContact CG2-CG1 3.84Å; V19-V51 HydrophobicContact CG2-CG2 4.01Å; T39-V51 WeakPolarHBondContact O-CA 3.21Å; V51-W53 HydrophobicContact CG1-CD2 4Å; V51-W53 HydrophobicContact CG1-CE3 4.39Å; V51-W53 HydrophobicContact CG1-CG 4.41Å; V51-W53 HydrophobicContact CG1-CH2 4.43Å; V51-W53 HydrophobicContact CG1-CZ2 4.06Å; V51-A58 WeakPolarHBondContact O-CA 3.25Å; V51-A59 PolarHBondContact N-O 2.96Å; V51-A59 PolarHBondContact O-N 3.41Å; V51-Y61 HydrophobicContact CB-CD2 3.85Å; V51-Y61 HydrophobicContact CB-CE2 3.92Å; V51-Y61 HydrophobicContact CG2-CD2 3.89Å; V51-Y61 HydrophobicContact CG2-CE2 4.44Å; V51-L69 HydrophobicContact CG2-CD1 3.49Å; V51-L69 VanDerWaalsContact CG2-CD1 3.49Å; V51-L69 HydrophobicContact CG2-CD2 4.43Å
52	V	98	Very high	90.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	107.8	166	-178.9	0	0	0	0	107.7	G38 T39 R41 A58 I161 V213	G38-V52 CarbonylContact C-O 3.5Å; G38-V52 WeakPolarHBondContact CA-O 3.3Å; T39-V52 PolarHBondContact N-O 3.12Å; T39-V52 PolarHBondContact O-N 3.25Å; R41-V52 HydrophobicContact CB-CG2 4.1Å; R41-V52 HydrophobicContact CG-CG2 4.49Å; V52-A58 HydrophobicContact CG2-CB 4.1Å; V52-I161 HydrophobicContact CG1-CG2 4.1Å; V52-I161 HydrophobicContact CG2-CG2 4.33Å; V52-V213 HydrophobicContact CB-CB 4.44Å; V52-V213 HydrophobicContact CB-CG2 4.03Å; V52-V213 HydrophobicContact CG1-CB 3.99Å; V52-V213 HydrophobicContact CG1-CG1 4.1Å; V52-V213 HydrophobicContact CG1-CG2 4.09Å
53	W	98.5	Very high	90.5	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	149.3	175	-64.9	106.5	0	0	0	110.9	W25 D31 G38 V51 N55 G56 V57 Y61 L69	W25-W53 HydrophobicContact CH2-CH2 4.28Å; W25-W53 AromaticContact CH2-CZ2 3.54Å; W25-W53 HydrophobicContact CH2-CZ2 3.54Å; W25-W53 HydrophobicContact CZ3-CH2 4.21Å; W25-W53 AromaticContact CZ3-CZ2 3.63Å; W25-W53 HydrophobicContact CZ3-CZ2 3.63Å; D31-W53 HydrophobicContact CB-CD2 3.58Å; D31-W53 HydrophobicContact CB-CE3 3.54Å; D31-W53 HydrophobicContact CB-CG 4.34Å; D31-W53 HydrophobicContact CB-CH2 3.7Å; D31-W53 HydrophobicContact CB-CZ2 3.7Å; D31-W53 HydrophobicContact CB-CZ3 3.61Å; G38-W53 VanDerWaalsContact N-CE3 3.34Å; V51-W53 HydrophobicContact CG1-CD2 4Å; V51-W53 HydrophobicContact CG1-CE3 4.39Å; V51-W53 HydrophobicContact CG1-CG 4.41Å; V51-W53 HydrophobicContact CG1-CH2 4.43Å; V51-W53 HydrophobicContact CG1-CZ2 4.06Å; W53-N55 VanDerWaalsContact CB-OD1 3.26Å; W53-N55 WeakPolarHBondContact CB-OD1 3.5Å; W53-N55 PolarHBondContact O-N 3.39Å; W53-G56 WeakPolarHBondContact O-CA 3.43Å; W53-G56 PolarHBondContact O-N 3.35Å; W53-V57 HydrophobicContact CB-CB 4.43Å; W53-V57 WeakPolarHBondContact CB-O 3.38Å; W53-V57 PolarHBondContact N-O 3.06Å; W53-Y61 AromaticContact CE2-CE2 3.83Å; W53-Y61 HydrophobicContact CZ2-CD2 4.5Å; W53-Y61 AromaticContact CZ2-CE2 3.87Å; W53-Y61 HydrophobicContact CZ2-CE2 3.87Å; W53-Y61 AromaticContact NE1-CE2 3.27Å; W53-Y61 VanDerWaalsContact NE1-CE2 3.27Å; W53-Y61 AromaticContact NE1-CZ 3.34Å; W53-Y61 VanDerWaalsContact NE1-CZ 3.34Å; W53-Y61 PolarHBondContact NE1-OH 3.39Å; W53-L69 HydrophobicContact CH2-CD2 3.68Å; W53-L69 HydrophobicContact CZ2-CD2 3.74Å
54	D	98.5	Very high	90.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.2	-178.1	-77.2	0.2	0	0	0	112.9	R18 V37 G56 G150 L151 Y217	R18-D54 IonicContact CZ-OD1 2.79Å; R18-D54 IonicContact CZ-OD2 3.83Å; R18-D54 IonicContact NH1-OD1 3.18Å; R18-D54 PolarHBondContact NH1-OD1 3.37Å; R18-D54 IonicContact NH1-OD2 2.71Å; R18-D54 IonicContact NH2-OD1 2.71Å; R18-D54 PolarHBondContact NH2-OD1 3Å; R18-D54 VanDerWaalsContact NH2-OD1 3.1Å; R18-D54 IonicContact NH2-OD2 3.43Å; R18-D54 PolarHBondContact NH2-OD2 3.39Å; V37-D54 VanDerWaalsContact O-CB 3.25Å; V37-D54 WeakPolarHBondContact O-CB 3.45Å; V37-D54 PolarHBondContact O-N 3.12Å; D54-G56 PolarHBondContact O-N 3.14Å; D54-G150 WeakPolarHBondContact OD2-CA 3.23Å; D54-L151 HydrophobicContact CB-CB 4.49Å; D54-L151 HydrophobicContact CB-CD1 4.04Å; D54-L151 HydrophobicContact CB-CG 3.89Å; D54-L151 PolarHBondContact OD2-N 3.46Å; D54-Y217 HydrophobicContact CB-CD1 3.67Å; D54-Y217 HydrophobicContact CB-CE1 3.69Å; D54-Y217 WeakPolarHBondContact O-CD1 3.29Å; D54-Y217 PolarHBondContact O-N 3.45Å
55	N	97.2	Very high	90.1	Very high	26 Å²	26	39.7 Å²	39.7	14%	0.139	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.7	172.3	70.8	8.9	0	0	0	113.4	Q30 W53 V57 K216 Y217	Q30-N55 PolarHBondContact O-ND2 2.94Å; Q30-N55 VanDerWaalsContact O-ND2 3.07Å; W53-N55 VanDerWaalsContact CB-OD1 3.26Å; W53-N55 WeakPolarHBondContact CB-OD1 3.5Å; W53-N55 PolarHBondContact O-N 3.39Å; N55-V57 WeakPolarHBondContact OD1-CB 3.38Å; N55-V57 WeakPolarHBondContact OD1-CG2 3.33Å; N55-V57 PolarHBondContact OD1-N 3.04Å; N55-K216 WeakPolarHBondContact O-CD 3.34Å; N55-K216 WeakPolarHBondContact O-CE 3.04Å; N55-K216 PolarHBondContact O-NZ 3.25Å; N55-Y217 HydrophobicContact CB-CE1 3.8Å; N55-Y217 HydrophobicContact CB-CE2 4.11Å; N55-Y217 WeakPolarHBondContact CB-OH 3.33Å; N55-Y217 VanDerWaalsContact N-CE1 3.28Å
56	G	95.2	Very high	90.6	Very high	32 Å²	32	37.9 Å²	37.9	33%	0.33	22%	0.223	S	C	.	.	S	Bend	trans	87.6	4	179.6	0	0	0	0	0	116.2	W53 D54	W53-G56 WeakPolarHBondContact O-CA 3.43Å; W53-G56 PolarHBondContact O-N 3.35Å; D54-G56 PolarHBondContact O-N 3.14Å
57	V	95.8	Very high	91.6	Very high	56 Å²	56	38.4 Å²	38.4	34%	0.339	22%	0.215	S	C	.	.			trans	-74.4	125.4	171.4	175.1	0	0	0	0	108.7	W53 N55 A59	W53-V57 HydrophobicContact CB-CB 4.43Å; W53-V57 WeakPolarHBondContact CB-O 3.38Å; W53-V57 PolarHBondContact N-O 3.06Å; N55-V57 WeakPolarHBondContact OD1-CB 3.38Å; N55-V57 WeakPolarHBondContact OD1-CG2 3.33Å; N55-V57 PolarHBondContact OD1-N 3.04Å; V57-A59 HydrophobicContact CG1-CB 4.48Å
58	A	95.6	Very high	92.4	Very high	53 Å²	53	32.6 Å²	32.6	44%	0.438	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.8	170.1	0	0	0	0	0	109.1	V51 V52 I161	V51-A58 WeakPolarHBondContact O-CA 3.25Å; V52-A58 HydrophobicContact CG2-CB 4.1Å; A58-I161 HydrophobicContact CB-CD1 4.47Å
59	A	95.6	Very high	92.9	Very high	20 Å²	20	28.9 Å²	28.9	17%	0.165	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	161.5	-177.1	0	0	0	0	0	112	V51 V57 Y61	V51-A59 PolarHBondContact N-O 2.96Å; V51-A59 PolarHBondContact O-N 3.41Å; V57-A59 HydrophobicContact CG1-CB 4.48Å; A59-Y61 HydrophobicContact CB-CE2 3.84Å; A59-Y61 WeakPolarHBondContact CB-OH 3.26Å
60	N	93.3	Very high	93.1	Very high	72 Å²	72	30.1 Å²	30.1	39%	0.385	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	145.6	177.6	-60.5	2.1	0	0	0	110.7	E48 V49	E48-N60 HydrophobicContact CG-CB 3.92Å; E48-N60 WeakPolarHBondContact OE1-CB 3.37Å; E48-N60 PolarHBondContact OE1-ND2 3.44Å; V49-N60 CarbonylContact O-C 3.52Å; V49-N60 VanDerWaalsContact O-CA 3.3Å; V49-N60 WeakPolarHBondContact O-CA 3.48Å
61	Y	96	Very high	93.1	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	153.5	-176.9	-65.6	-68.6	0	0	0	111.7	W25 W27 Q30 E48 V49 V51 W53 A59 D68 L69	W25-Y61 HydrophobicContact CE3-CE1 4.43Å; W25-Y61 HydrophobicContact CH2-CD1 4.43Å; W25-Y61 AromaticContact CH2-CE1 3.61Å; W25-Y61 HydrophobicContact CH2-CE1 3.61Å; W25-Y61 AromaticContact CH2-CZ 3.76Å; W25-Y61 AromaticContact CZ3-CD1 3.86Å; W25-Y61 HydrophobicContact CZ3-CD1 3.86Å; W25-Y61 AromaticContact CZ3-CE1 3.49Å; W25-Y61 HydrophobicContact CZ3-CE1 3.49Å; W25-Y61 VanDerWaalsContact CZ3-CE1 3.49Å; W25-Y61 AromaticContact CZ3-CZ 3.92Å; W27-Y61 HydrophobicContact CB-CE1 4.21Å; W27-Y61 AromaticContact CD1-CD1 3.6Å; W27-Y61 AromaticContact CD1-CE1 3.56Å; W27-Y61 HydrophobicContact CG-CD1 4.26Å; W27-Y61 AromaticContact CG-CE1 3.85Å; W27-Y61 HydrophobicContact CG-CE1 3.85Å; W27-Y61 AromaticContact NE1-CD1 3.7Å; Q30-Y61 PolarHBondContact OE1-OH 2.87Å; E48-Y61 WeakPolarHBondContact CA-O 3.43Å; V49-Y61 WeakPolarHBondContact CG1-O 3.44Å; V49-Y61 PolarHBondContact N-O 3.02Å; V49-Y61 PolarHBondContact O-N 3.5Å; V51-Y61 HydrophobicContact CB-CD2 3.85Å; V51-Y61 HydrophobicContact CB-CE2 3.92Å; V51-Y61 HydrophobicContact CG2-CD2 3.89Å; V51-Y61 HydrophobicContact CG2-CE2 4.44Å; W53-Y61 AromaticContact CE2-CE2 3.83Å; W53-Y61 HydrophobicContact CZ2-CD2 4.5Å; W53-Y61 AromaticContact CZ2-CE2 3.87Å; W53-Y61 HydrophobicContact CZ2-CE2 3.87Å; W53-Y61 AromaticContact NE1-CE2 3.27Å; W53-Y61 VanDerWaalsContact NE1-CE2 3.27Å; W53-Y61 AromaticContact NE1-CZ 3.34Å; W53-Y61 VanDerWaalsContact NE1-CZ 3.34Å; W53-Y61 PolarHBondContact NE1-OH 3.39Å; A59-Y61 HydrophobicContact CB-CE2 3.84Å; A59-Y61 WeakPolarHBondContact CB-OH 3.26Å; Y61-D68 HydrophobicContact CD1-CB 4.16Å; Y61-D68 HydrophobicContact CG-CB 4.42Å; Y61-L69 HydrophobicContact CD2-CD1 4.26Å; Y61-L69 HydrophobicContact CD2-CD2 4.35Å; Y61-L69 HydrophobicContact CG-CD1 4.28Å; Y61-L69 HydrophobicContact CG-CD2 4.38Å; Y61-L69 HydrophobicContact CG-CG 4.41Å
62	R	91	Very high	93.1	Very high	74 Å²	74	30.9 Å²	30.9	28%	0.279	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.5	178.6	-57.2	168.3	-65.3	173.3	4.6	110.5	D24 A66 D68	D24-R62 PolarHBondContact O-NH2 2.51Å; R62-A66 CarbonylContact C-O 3.57Å; R62-A66 HydrophobicContact CB-CB 4.41Å; R62-A66 WeakPolarHBondContact CB-O 3.47Å; R62-D68 VanDerWaalsContact CB-OD2 3.3Å; R62-D68 WeakPolarHBondContact CB-OD2 3.32Å; R62-D68 WeakPolarHBondContact CG-OD2 3.26Å; R62-D68 IonicContact CZ-OD1 3.54Å; R62-D68 IonicContact CZ-OD2 3.73Å; R62-D68 PolarHBondContact N-OD2 3.33Å; R62-D68 IonicContact NE-OD1 3.47Å; R62-D68 PolarHBondContact NE-OD1 3.09Å; R62-D68 IonicContact NE-OD2 2.91Å; R62-D68 PolarHBondContact NE-OD2 3.01Å; R62-D68 IonicContact NH2-OD1 2.76Å; R62-D68 PolarHBondContact NH2-OD1 3.05Å; R62-D68 IonicContact NH2-OD2 3.67Å; R62-D68 PolarHBondContact O-N 2.92Å; R62-D68 VanDerWaalsContact O-N 3.08Å
63	C	85.9	Confident	92.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	18%	0.184	C	C	.	.			trans	-129	10.8	172.5	62.6	0	0	0	0	113.3	E47 V49 L234 G235	E47-C63 PolarHBondContact O-N 3.13Å; E47-C63 PolarHBondContact O-SG 3.31Å; V49-C63 HydrophobicContact CG1-CB 4.31Å; C63-L234 HydrophobicContact CB-CD2 4.36Å; C63-L234 HydrophobicContact CB-CG 4.29Å; C63-G235 CarbonylContact O-C 3.58Å; C63-G235 VanDerWaalsContact O-CA 3.24Å; C63-G235 WeakPolarHBondContact O-CA 3.39Å
64	A	79.9	Confident	92.6	Very high	27 Å²	27	32.2 Å²	32.2	22%	0.223	19%	0.187	C	C	.	.	S	Bend	trans	-135.3	146.3	169.3	0	0	0	0	0	109.9	E47 A66	E47-A64 HydrophobicContact CB-CB 3.8Å; E47-A64 HydrophobicContact CG-CB 3.67Å; A64-A66 PolarHBondContact O-N 2.98Å
65	D	78.6	Confident	92.3	Very high	153 Å²	153	32.1 Å²	32.1	82%	0.818	19%	0.187	S	C	*	.	S	Bend	trans	59.8	-35.2	-174.5	-60	-32	0	0	0	116.3
66	A	87.2	Confident	92.1	Very high	14 Å²	14	31 Å²	31	12%	0.116	18%	0.181	C	C	.	.	S	Bend	trans	-129.1	140.6	165.3	0	0	0	0	0	109	D24 R62 A64	D24-A66 HydrophobicContact CB-CB 3.98Å; R62-A66 CarbonylContact C-O 3.57Å; R62-A66 HydrophobicContact CB-CB 4.41Å; R62-A66 WeakPolarHBondContact CB-O 3.47Å; A64-A66 PolarHBondContact O-N 2.98Å
67	Y	90.1	Very high	91.8	Very high	58 Å²	58	30.5 Å²	30.5	23%	0.227	17%	0.172	C	C	.	.			trans	-114.4	93.4	-174.6	-52.4	-73.4	0	0	0	109.7	G22 P23 D24 L69 P233 L234 G235	G22-Y67 CarbonylContact C-O 3.53Å; G22-Y67 WeakPolarHBondContact CA-O 3.27Å; P23-Y67 WeakPolarHBondContact CD-O 3.49Å; D24-Y67 PolarHBondContact N-O 3.23Å; D24-Y67 VanDerWaalsContact N-O 3.16Å; D24-Y67 PolarHBondContact OD2-N 3.35Å; Y67-L69 PolarHBondContact O-N 2.98Å; Y67-P233 HydrophobicContact CG-CB 4.1Å; Y67-L234 VanDerWaalsContact CD1-O 3.27Å; Y67-L234 WeakPolarHBondContact CD1-O 3.3Å; Y67-G235 VanDerWaalsContact CE1-C 3.49Å
68	D	96.5	Very high	91.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.			trans	-75.7	-9.9	-179.4	-73.8	-37.4	0	0	0	112.6	G22 D24 W25 W27 Y61 R62	G22-D68 VanDerWaalsContact CA-C 3.47Å; G22-D68 WeakPolarHBondContact CA-O 3.46Å; G22-D68 VanDerWaalsContact N-C 3.29Å; G22-D68 PolarHBondContact N-O 3.42Å; D24-D68 VanDerWaalsContact O-OD1 3.1Å; W25-D68 HydrophobicContact CE3-CB 4.48Å; W25-D68 VanDerWaalsContact CE3-O 3.26Å; W27-D68 PolarHBondContact NE1-OD1 3.44Å; W27-D68 PolarHBondContact NE1-OD2 3.12Å; Y61-D68 HydrophobicContact CD1-CB 4.16Å; Y61-D68 HydrophobicContact CG-CB 4.42Å; R62-D68 VanDerWaalsContact CB-OD2 3.3Å; R62-D68 WeakPolarHBondContact CB-OD2 3.32Å; R62-D68 WeakPolarHBondContact CG-OD2 3.26Å; R62-D68 IonicContact CZ-OD1 3.54Å; R62-D68 IonicContact CZ-OD2 3.73Å; R62-D68 PolarHBondContact N-OD2 3.33Å; R62-D68 IonicContact NE-OD1 3.47Å; R62-D68 PolarHBondContact NE-OD1 3.09Å; R62-D68 IonicContact NE-OD2 2.91Å; R62-D68 PolarHBondContact NE-OD2 3.01Å; R62-D68 IonicContact NH2-OD1 2.76Å; R62-D68 PolarHBondContact NH2-OD1 3.05Å; R62-D68 IonicContact NH2-OD2 3.67Å; R62-D68 PolarHBondContact O-N 2.92Å; R62-D68 VanDerWaalsContact O-N 3.08Å
69	L	96.9	Very high	90.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.1	-171.7	-60.1	168.7	0	0	0	112.6	V19 V20 W25 V49 V51 W53 Y61 Y67 P233 L234	V19-L69 HydrophobicContact CG2-CD2 4.23Å; V20-L69 CarbonylContact O-C 3.54Å; V20-L69 WeakPolarHBondContact O-CA 3.41Å; W25-L69 HydrophobicContact CZ3-CD2 4.24Å; V49-L69 HydrophobicContact CG1-CD1 3.55Å; V51-L69 HydrophobicContact CG2-CD1 3.49Å; V51-L69 VanDerWaalsContact CG2-CD1 3.49Å; V51-L69 HydrophobicContact CG2-CD2 4.43Å; W53-L69 HydrophobicContact CH2-CD2 3.68Å; W53-L69 HydrophobicContact CZ2-CD2 3.74Å; Y61-L69 HydrophobicContact CD2-CD1 4.26Å; Y61-L69 HydrophobicContact CD2-CD2 4.35Å; Y61-L69 HydrophobicContact CG-CD1 4.28Å; Y61-L69 HydrophobicContact CG-CD2 4.38Å; Y61-L69 HydrophobicContact CG-CG 4.41Å; Y67-L69 PolarHBondContact O-N 2.98Å; L69-P233 CarbonylContact O-C 3.51Å; L69-P233 WeakPolarHBondContact O-CA 3.47Å; L69-L234 HydrophobicContact CB-CB 3.97Å; L69-L234 HydrophobicContact CB-CD2 4.13Å; L69-L234 HydrophobicContact CD1-CD2 3.78Å; L69-L234 PolarHBondContact O-N 3.39Å
70	R	95.5	Very high	90.5	Very high	25 Å²	25	30.3 Å²	30.3	9%	0.094	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.3	167.3	-80	167.8	-176.5	102	1.3	109.6	V19 V20 R21 G22 P23 L72 R228 D229 L231 L232	V19-R70 VanDerWaalsContact CA-O 3.26Å; V19-R70 WeakPolarHBondContact CA-O 3.33Å; V19-R70 WeakPolarHBondContact CB-O 3.48Å; V20-R70 HydrophobicContact CG2-CB 3.95Å; V20-R70 PolarHBondContact N-O 3.21Å; V20-R70 PolarHBondContact O-N 3.02Å; R21-R70 PolarHBondContact O-NH1 3.2Å; G22-R70 VanDerWaalsContact CA-NH1 3.26Å; G22-R70 PolarHBondContact O-NH1 3.46Å; G22-R70 VanDerWaalsContact O-NH1 3.08Å; P23-R70 VanDerWaalsContact N-NH1 3.16Å; R70-L72 PolarHBondContact O-N 3.03Å; R70-R228 WeakPolarHBondContact CD-O 3.31Å; R70-R228 PolarHBondContact NE-O 3.27Å; R70-D229 IonicContact NH2-OD1 3.82Å; R70-L231 HydrophobicContact CB-CB 3.92Å; R70-L231 HydrophobicContact CB-CD1 4.22Å; R70-L231 HydrophobicContact CG-CB 4.19Å; R70-L232 CarbonylContact C-O 3.51Å; R70-L232 VanDerWaalsContact CA-O 3.29Å; R70-L232 WeakPolarHBondContact CA-O 3.31Å
71	V	93.6	Very high	90.2	Very high	14 Å²	14	27.2 Å²	27.2	9%	0.085	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	113.2	173.9	-176.5	0	0	0	0	109.1	A17 A74 L232 L234	A17-V71 HydrophobicContact CB-CG1 4.46Å; V71-A74 HydrophobicContact CG1-CB 4.14Å; V71-L232 PolarHBondContact N-O 2.94Å; V71-L234 HydrophobicContact CG2-CB 4.26Å; V71-L234 HydrophobicContact CG2-CD1 3.79Å
72	L	96	Very high	89.8	Confident	14 Å²	14	32.9 Å²	32.9	7%	0.073	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-46.3	176	176.7	69	0	0	0	110.8	R18 V20 V37 R70 I148 Y226 L231	R18-L72 WeakPolarHBondContact O-CA 3.5Å; R18-L72 WeakPolarHBondContact O-CB 3.49Å; R18-L72 PolarHBondContact O-N 3.42Å; V20-L72 HydrophobicContact CG1-CB 4.18Å; V20-L72 HydrophobicContact CG1-CD2 3.95Å; V37-L72 HydrophobicContact CG1-CD2 4.33Å; V37-L72 HydrophobicContact CG2-CD2 3.57Å; R70-L72 PolarHBondContact O-N 3.03Å; L72-I148 HydrophobicContact CD1-CD1 4.01Å; L72-I148 HydrophobicContact CD1-CG1 4.47Å; L72-I148 HydrophobicContact CD2-CD1 4.2Å; L72-I148 HydrophobicContact CD2-CG1 4.45Å; L72-I148 HydrophobicContact CD2-CG2 4Å; L72-Y226 HydrophobicContact CD1-CD1 4.09Å; L72-Y226 HydrophobicContact CD1-CD2 4.31Å; L72-Y226 HydrophobicContact CD1-CG 3.87Å; L72-L231 HydrophobicContact CB-CD1 4.3Å; L72-L231 HydrophobicContact CD1-CD1 3.91Å
73	D	94.7	Very high	89.7	Confident	24 Å²	24	34.6 Å²	34.6	13%	0.128	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	114.5	179.6	-174.5	22.6	0	0	0	111.8	R18 G75 S95 R190	R18-D73 HydrophobicContact CB-CB 4.16Å; R18-D73 HydrophobicContact CG-CB 4.46Å; R18-D73 PolarHBondContact N-O 3.18Å; R18-D73 PolarHBondContact O-N 3.27Å; D73-G75 VanDerWaalsContact C-N 3.34Å; D73-G75 PolarHBondContact OD1-N 2.59Å; D73-S95 WeakPolarHBondContact OD1-CB 3.32Å; D73-S95 PolarHBondContact OD1-OG 3.24Å; D73-R190 IonicContact OD1-CZ 3.86Å; D73-R190 IonicContact OD1-NE 2.7Å; D73-R190 IonicContact OD1-NH2 2.92Å; D73-R190 PolarHBondContact OD1-NH2 3Å; D73-R190 IonicContact OD2-CZ 3.09Å; D73-R190 IonicContact OD2-NE 3.81Å; D73-R190 PolarHBondContact OD2-NE 2.97Å; D73-R190 IonicContact OD2-NH2 2.93Å; D73-R190 PolarHBondContact OD2-NH2 3.3Å
74	A	92.1	Very high	89.9	Confident	8 Å²	8	37 Å²	37	7%	0.066	20%	0.196	C	C	.	.			trans	-90.4	6.9	171.9	0	0	0	0	0	113	V71 P76 T77 V79 S95	V71-A74 HydrophobicContact CG1-CB 4.14Å; A74-P76 VanDerWaalsContact C-N 3.33Å; A74-T77 PolarHBondContact O-N 3.32Å; A74-T77 PolarHBondContact O-OG1 3.43Å; A74-V79 HydrophobicContact CB-CB 4.46Å; A74-S95 PolarHBondContact N-OG 2.96Å
75	G	91.4	Very high	90.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-51.3	-45	176.6	0	0	0	0	0	114.1	D73 T77 G78 P189	D73-G75 VanDerWaalsContact C-N 3.34Å; D73-G75 PolarHBondContact OD1-N 2.59Å; G75-T77 PolarHBondContact O-N 2.9Å; G75-T77 VanDerWaalsContact O-N 3.09Å; G75-G78 PolarHBondContact O-N 3.07Å; G75-P189 CarbonylContact C-O 3.28Å; G75-P189 WeakPolarHBondContact O-CD 3.42Å
76	P	93.4	Very high	91.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-65.7	-10.5	179.5	-26.4	37.7	0	0	0	115.3	G16 R18 A74 F188 R190	G16-P76 WeakPolarHBondContact O-CB 2.9Å; R18-P76 HydrophobicContact CG-CG 3.94Å; A74-P76 VanDerWaalsContact C-N 3.33Å; P76-F188 WeakPolarHBondContact O-CD1 3.42Å; P76-R190 WeakPolarHBondContact CG-O 3.45Å
77	T	88.2	Confident	91.3	Very high	22 Å²	22	33.3 Å²	33.3	14%	0.135	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-89.9	-9.9	175.1	81.4	0	0	0	0	112.6	S13 I15 A17 A74 G75 V79	S13-T77 VanDerWaalsContact O-CB 3.23Å; S13-T77 WeakPolarHBondContact O-CB 3.45Å; S13-T77 PolarHBondContact O-OG1 3.16Å; I15-T77 WeakPolarHBondContact O-CG2 3.38Å; A17-T77 HydrophobicContact CB-CG2 3.74Å; A17-T77 VanDerWaalsContact N-CG2 3.33Å; A74-T77 PolarHBondContact O-N 3.32Å; A74-T77 PolarHBondContact O-OG1 3.43Å; G75-T77 PolarHBondContact O-N 2.9Å; G75-T77 VanDerWaalsContact O-N 3.09Å; T77-V79 WeakPolarHBondContact OG1-CG2 3.41Å
78	G	86.4	Confident	91.3	Very high	20 Å²	20	31.5 Å²	31.5	21%	0.206	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	3.9	-177.3	0	0	0	0	0	115.2	G75 K80 D187	G75-G78 PolarHBondContact O-N 3.07Å; G78-K80 PolarHBondContact O-N 2.84Å; G78-D187 WeakPolarHBondContact CA-O 3.46Å
79	V	85.2	Confident	91.1	Very high	29 Å²	29	38.3 Å²	38.3	18%	0.176	20%	0.2	C	C	.	.			trans	-59.3	124.7	173.1	170	0	0	0	0	110.1	A74 T77 F94 S95	A74-V79 HydrophobicContact CB-CB 4.46Å; T77-V79 WeakPolarHBondContact OG1-CG2 3.41Å; V79-F94 WeakPolarHBondContact O-CA 3.29Å; V79-S95 PolarHBondContact O-N 3.28Å
80	K	88.1	Confident	90.7	Very high	76 Å²	76	41 Å²	41	33%	0.33	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	146.4	-175.4	69.2	-164.4	-178.3	-175.8	0	112.1	G78 P92 I93 F94 P130 D187	G78-K80 PolarHBondContact O-N 2.84Å; K80-P92 HydrophobicContact CB-CB 4.13Å; K80-P92 HydrophobicContact CB-CG 4.09Å; K80-P92 HydrophobicContact CD-CG 3.91Å; K80-P92 HydrophobicContact CG-CB 4.45Å; K80-P92 HydrophobicContact CG-CG 4.3Å; K80-I93 CarbonylContact C-O 3.5Å; K80-I93 WeakPolarHBondContact CA-O 3.38Å; K80-F94 HydrophobicContact CB-CD1 3.68Å; K80-F94 HydrophobicContact CB-CE1 3.87Å; K80-F94 HydrophobicContact CB-CG 4.36Å; K80-F94 HydrophobicContact CD-CE1 3.96Å; K80-P130 WeakPolarHBondContact O-CG 3.45Å; K80-D187 IonicContact NZ-OD1 2.68Å; K80-D187 PolarHBondContact NZ-OD1 3.36Å
81	H	86.6	Confident	90.4	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.032	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133	172.5	-61.5	-104.2	0	0	0	108.7	W83 P92 I93 S95 L97 L127 W129	H81-W83 PolarHBondContact O-N 3.26Å; H81-P92 WeakPolarHBondContact O-CA 3.46Å; H81-P92 WeakPolarHBondContact O-CB 3.43Å; H81-I93 HydrophobicContact CB-CB 4.49Å; H81-I93 PolarHBondContact N-O 3.11Å; H81-I93 PolarHBondContact O-N 3.03Å; H81-S95 PolarHBondContact CD2-O 3.06Å; H81-S95 VanDerWaalsContact CD2-O 3.22Å; H81-S95 PolarHBondContact NE2-O 3.37Å; H81-L97 HydrophobicContact CB-CB 4.24Å; H81-L97 HydrophobicContact CB-CD2 4.21Å; H81-L127 PolarHBondContact NE2-O 2.93Å; H81-W129 PolarHBondContact CE1-O 3.42Å; H81-W129 VanDerWaalsContact CE1-O 3.24Å
82	D	87.6	Confident	90.3	Very high	124 Å²	124	49 Å²	49	66%	0.663	25%	0.245	S	C	*	.	S	Bend	trans	-75	42	179.5	-66.5	-39.8	0	0	0	113.7
83	W	88.9	Confident	90	Very high	109 Å²	109	48.4 Å²	48.4	41%	0.413	24%	0.242	S	C	.	.			trans	-111.4	162.8	179.2	-70.2	63	0	0	0	109.9	H81 I93 L97 C107	H81-W83 PolarHBondContact O-N 3.26Å; W83-I93 HydrophobicContact CB-CD1 4.01Å; W83-I93 PolarHBondContact O-N 3.35Å; W83-L97 HydrophobicContact CB-CD1 3.95Å; W83-L97 HydrophobicContact CB-CD2 4.29Å; W83-L97 HydrophobicContact CD2-CD2 3.8Å; W83-L97 HydrophobicContact CE3-CD2 4.36Å; W83-L97 HydrophobicContact CG-CD1 4.24Å; W83-L97 HydrophobicContact CG-CD2 3.74Å; W83-C107 HydrophobicContact CE3-CB 4.27Å
84	T	91.7	Very high	89.8	Confident	52 Å²	52	48.6 Å²	48.6	32%	0.319	24%	0.242	S	C	.	.			trans	-116.1	126.7	179.6	-55.1	0	0	0	0	109.4	D86 Q90 R91 C107	T84-D86 PolarHBondContact O-N 3.44Å; T84-Q90 WeakPolarHBondContact CA-O 3.39Å; T84-R91 HydrophobicContact CG2-CB 4.31Å; T84-R91 VanDerWaalsContact OG1-CD 3.3Å; T84-R91 WeakPolarHBondContact OG1-CD 3.43Å; T84-C107 PolarHBondContact O-SG 2.94Å
85	C	91.6	Very high	89.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.239	C	C	.	.			trans	-67.9	123.6	178	176.2	0	0	0	0	110.3	S87 C88 H89 Q90 I93 C109 C112	C85-S87 PolarHBondContact O-N 3.32Å; C85-C88 WeakPolarHBondContact CB-SG 3.29Å; C85-C88 PolarHBondContact O-N 2.92Å; C85-C88 PolarHBondContact SG-N 3.47Å; C85-C88 PolarHBondContact SG-SG 3.1Å; C85-H89 VanDerWaalsContact O-CA 3.25Å; C85-H89 WeakPolarHBondContact O-CA 3.35Å; C85-H89 PolarHBondContact O-N 3.28Å; C85-Q90 HydrophobicContact CB-CB 4.4Å; C85-Q90 PolarHBondContact N-O 3.2Å; C85-I93 HydrophobicContact CB-CD1 4.03Å; C85-I93 HydrophobicContact CB-CG1 4.16Å; C85-C109 HydrophobicContact CB-CB 4.23Å; C85-C109 PolarHBondContact SG-N 3.26Å; C85-C109 VanDerWaalsContact SG-N 3.36Å; C85-C112 VanDerWaalsContact SG-SG 3.67Å
86	D	92.7	Very high	89.8	Confident	83 Å²	83	48.8 Å²	48.8	44%	0.444	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.6	-178.5	-71.1	-87.7	0	0	0	113.3	T84 C106 C107	T84-D86 PolarHBondContact O-N 3.44Å; D86-C106 WeakPolarHBondContact OD2-CA 3.28Å; D86-C107 PolarHBondContact N-O 3.33Å; D86-C107 PolarHBondContact OD2-N 2.98Å; D86-C107 VanDerWaalsContact OD2-O 3.06Å
87	S	90.4	Very high	89.7	Confident	34 Å²	34	48.8 Å²	48.8	24%	0.238	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-37.3	178.4	-178.2	0	0	0	0	113	C85 K117 W402	C85-S87 PolarHBondContact O-N 3.32Å; S87-K117 WeakPolarHBondContact OG-CG 3.41Å; S87-W402 WeakPolarHBondContact O-CZ3 3.41Å
88	C	90.5	Very high	90	Very high	19 Å²	19	47.8 Å²	47.8	13%	0.128	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-3.8	-172.7	68.7	0	0	0	0	117.4	C85 Q90 C112 W402	C85-C88 WeakPolarHBondContact CB-SG 3.29Å; C85-C88 PolarHBondContact O-N 2.92Å; C85-C88 PolarHBondContact SG-N 3.47Å; C85-C88 PolarHBondContact SG-SG 3.1Å; C88-Q90 PolarHBondContact O-N 2.86Å; C88-Q90 WeakPolarHBondContact SG-CB 3.32Å; C88-C112 VanDerWaalsContact CB-SG 3.53Å; C88-W402 HydrophobicContact CB-CD2 4.23Å; C88-W402 HydrophobicContact CB-CE3 3.94Å; C88-W402 HydrophobicContact CB-CH2 2.97Å; C88-W402 HydrophobicContact CB-CZ2 3.19Å; C88-W402 HydrophobicContact CB-CZ3 3.36Å; C88-W402 WeakPolarHBondContact O-CH2 3.18Å
89	H	92.1	Very high	90.3	Very high	144 Å²	144	49.5 Å²	49.5	67%	0.667	24%	0.239	S	C	*	.			trans	57.3	15	-176.9	-48	-56.4	0	0	0	114	C85 R91	C85-H89 VanDerWaalsContact O-CA 3.25Å; C85-H89 WeakPolarHBondContact O-CA 3.35Å; C85-H89 PolarHBondContact O-N 3.28Å; H89-R91 PolarHBondContact O-N 3.29Å
90	Q	87.5	Confident	90.6	Very high	57 Å²	57	48.3 Å²	48.3	27%	0.266	23%	0.232	S	C	.	.			trans	-62.5	124.4	171.7	-175.7	-165.5	-35.5	0	0	109.2	T84 C85 C88 P92	T84-Q90 WeakPolarHBondContact CA-O 3.39Å; C85-Q90 HydrophobicContact CB-CB 4.4Å; C85-Q90 PolarHBondContact N-O 3.2Å; C88-Q90 PolarHBondContact O-N 2.86Å; C88-Q90 WeakPolarHBondContact SG-CB 3.32Å; Q90-P92 PolarHBondContact NE2-O 2.8Å; Q90-P92 VanDerWaalsContact NE2-O 3.13Å
91	R	89.9	Confident	90.6	Very high	177 Å²	177	46.5 Å²	46.5	67%	0.668	23%	0.23	S	C	*	.	S	Bend	trans	-141	128.7	173.2	-172.5	-175.9	-172.5	167.9	-2.7	109.2	T84 H89	T84-R91 HydrophobicContact CG2-CB 4.31Å; T84-R91 VanDerWaalsContact OG1-CD 3.3Å; T84-R91 WeakPolarHBondContact OG1-CD 3.43Å; H89-R91 PolarHBondContact O-N 3.29Å
92	P	90.2	Very high	90.7	Very high	30 Å²	30	49.8 Å²	49.8	20%	0.195	25%	0.246	C	C	.	.	S	Bend	cis	-71	163.1	-6.6	30.5	-32.7	0	0	0	112.2	K80 H81 Q90 F94	K80-P92 HydrophobicContact CB-CB 4.13Å; K80-P92 HydrophobicContact CB-CG 4.09Å; K80-P92 HydrophobicContact CD-CG 3.91Å; K80-P92 HydrophobicContact CG-CB 4.45Å; K80-P92 HydrophobicContact CG-CG 4.3Å; H81-P92 WeakPolarHBondContact O-CA 3.46Å; H81-P92 WeakPolarHBondContact O-CB 3.43Å; Q90-P92 PolarHBondContact NE2-O 2.8Å; Q90-P92 VanDerWaalsContact NE2-O 3.13Å; P92-F94 HydrophobicContact CG-CE1 4.43Å; P92-F94 HydrophobicContact CG-CE2 3.95Å; P92-F94 HydrophobicContact CG-CZ 3.88Å; P92-F94 WeakPolarHBondContact O-CD2 3.32Å; P92-F94 PolarHBondContact O-N 3.01Å
93	I	91	Very high	90.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	112.2	170.8	-69.9	170.4	0	0	0	108.2	K80 H81 W83 C85 L97 C109	K80-I93 CarbonylContact C-O 3.5Å; K80-I93 WeakPolarHBondContact CA-O 3.38Å; H81-I93 HydrophobicContact CB-CB 4.49Å; H81-I93 PolarHBondContact N-O 3.11Å; H81-I93 PolarHBondContact O-N 3.03Å; W83-I93 HydrophobicContact CB-CD1 4.01Å; W83-I93 PolarHBondContact O-N 3.35Å; C85-I93 HydrophobicContact CB-CD1 4.03Å; C85-I93 HydrophobicContact CB-CG1 4.16Å; I93-L97 HydrophobicContact CB-CD1 4.45Å; I93-L97 HydrophobicContact CD1-CD1 3.34Å; I93-L97 HydrophobicContact CG1-CD1 4.48Å; I93-L97 HydrophobicContact CG2-CB 4.43Å; I93-L97 HydrophobicContact CG2-CD1 4.34Å; I93-C109 HydrophobicContact CG1-CB 4.28Å; I93-C109 HydrophobicContact CG2-CB 3.86Å
94	F	90.8	Very high	90.1	Very high	28 Å²	28	45.9 Å²	45.9	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	152.6	175.3	-68.1	-85.4	0	0	0	111.6	V79 K80 P92 P189	V79-F94 WeakPolarHBondContact O-CA 3.29Å; K80-F94 HydrophobicContact CB-CD1 3.68Å; K80-F94 HydrophobicContact CB-CE1 3.87Å; K80-F94 HydrophobicContact CB-CG 4.36Å; K80-F94 HydrophobicContact CD-CE1 3.96Å; P92-F94 HydrophobicContact CG-CE1 4.43Å; P92-F94 HydrophobicContact CG-CE2 3.95Å; P92-F94 HydrophobicContact CG-CZ 3.88Å; P92-F94 WeakPolarHBondContact O-CD2 3.32Å; P92-F94 PolarHBondContact O-N 3.01Å; F94-P189 HydrophobicContact CB-CG 3.96Å; F94-P189 HydrophobicContact CD1-CG 3.44Å; F94-P189 VanDerWaalsContact CD1-CG 3.44Å; F94-P189 HydrophobicContact CD2-CG 3.72Å; F94-P189 HydrophobicContact CE1-CG 3.71Å; F94-P189 HydrophobicContact CE2-CG 3.99Å; F94-P189 HydrophobicContact CG-CG 3.44Å; F94-P189 VanDerWaalsContact CG-CG 3.44Å; F94-P189 HydrophobicContact CZ-CG 3.97Å
95	S	91.1	Very high	89.1	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.007	26%	0.261	C	S	.	.	S	Bend	trans	65.5	-129.8	-175.8	-174.4	0	0	0	0	110.9	D73 A74 V79 H81	D73-S95 WeakPolarHBondContact OD1-CB 3.32Å; D73-S95 PolarHBondContact OD1-OG 3.24Å; A74-S95 PolarHBondContact N-OG 2.96Å; V79-S95 PolarHBondContact O-N 3.28Å; H81-S95 PolarHBondContact CD2-O 3.06Å; H81-S95 VanDerWaalsContact CD2-O 3.22Å; H81-S95 PolarHBondContact NE2-O 3.37Å
96	V	91.3	Very high	88.9	Confident	12 Å²	12	50.5 Å²	50.5	7%	0.073	27%	0.265	C	S	.	.			trans	-82.9	132.5	-176.7	-178.1	0	0	0	0	112	W98 R126 L127	V96-W98 HydrophobicContact CB-CZ2 4.25Å; V96-W98 HydrophobicContact CG1-CD2 3.95Å; V96-W98 VanDerWaalsContact CG1-CE2 3.46Å; V96-W98 HydrophobicContact CG1-CG 4.37Å; V96-W98 HydrophobicContact CG1-CH2 4.3Å; V96-W98 HydrophobicContact CG1-CZ2 3.68Å; V96-R126 HydrophobicContact CG1-CG 3.64Å; V96-L127 WeakPolarHBondContact CA-O 3.42Å; V96-L127 WeakPolarHBondContact CG1-O 3.42Å
97	L	92.2	Very high	88.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.7	165.6	173.2	68.5	0	0	0	110.3	H81 W83 I93 C107 L127	H81-L97 HydrophobicContact CB-CB 4.24Å; H81-L97 HydrophobicContact CB-CD2 4.21Å; W83-L97 HydrophobicContact CB-CD1 3.95Å; W83-L97 HydrophobicContact CB-CD2 4.29Å; W83-L97 HydrophobicContact CD2-CD2 3.8Å; W83-L97 HydrophobicContact CE3-CD2 4.36Å; W83-L97 HydrophobicContact CG-CD1 4.24Å; W83-L97 HydrophobicContact CG-CD2 3.74Å; I93-L97 HydrophobicContact CB-CD1 4.45Å; I93-L97 HydrophobicContact CD1-CD1 3.34Å; I93-L97 HydrophobicContact CG1-CD1 4.48Å; I93-L97 HydrophobicContact CG2-CB 4.43Å; I93-L97 HydrophobicContact CG2-CD1 4.34Å; L97-C107 HydrophobicContact CD1-CB 3.68Å; L97-L127 HydrophobicContact CB-CB 4.1Å; L97-L127 HydrophobicContact CD2-CD2 4.22Å; L97-L127 PolarHBondContact N-O 3.38Å; L97-L127 PolarHBondContact O-N 3.05Å
98	W	94.5	Very high	89.1	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	101.6	178.6	-57.9	89.5	0	0	0	110.3	V96 C107 L108 S110 Y113 F124 W125 R126 M137 H230	V96-W98 HydrophobicContact CB-CZ2 4.25Å; V96-W98 HydrophobicContact CG1-CD2 3.95Å; V96-W98 VanDerWaalsContact CG1-CE2 3.46Å; V96-W98 HydrophobicContact CG1-CG 4.37Å; V96-W98 HydrophobicContact CG1-CH2 4.3Å; V96-W98 HydrophobicContact CG1-CZ2 3.68Å; W98-C107 CarbonylContact O-C 3.42Å; W98-C107 WeakPolarHBondContact O-CA 3.49Å; W98-L108 HydrophobicContact CB-CB 4.26Å; W98-L108 WeakPolarHBondContact CB-O 3.13Å; W98-L108 PolarHBondContact N-O 3.46Å; W98-L108 PolarHBondContact O-N 3.38Å; W98-S110 PolarHBondContact NE1-OG 2.86Å; W98-Y113 HydrophobicContact CB-CD2 3.71Å; W98-Y113 HydrophobicContact CB-CE2 4.3Å; W98-Y113 HydrophobicContact CB-CG 4.17Å; W98-Y113 AromaticContact CD1-CG 3.89Å; W98-Y113 AromaticContact CD2-CD1 3.74Å; W98-Y113 HydrophobicContact CD2-CD1 3.74Å; W98-Y113 AromaticContact CD2-CD2 3.69Å; W98-Y113 HydrophobicContact CD2-CD2 3.69Å; W98-Y113 AromaticContact CD2-CE1 3.96Å; W98-Y113 HydrophobicContact CD2-CE1 3.96Å; W98-Y113 AromaticContact CD2-CE2 3.9Å; W98-Y113 HydrophobicContact CD2-CE2 3.9Å; W98-Y113 AromaticContact CD2-CG 3.58Å; W98-Y113 HydrophobicContact CD2-CG 3.58Å; W98-Y113 AromaticContact CE2-CD1 3.65Å; W98-Y113 AromaticContact CE2-CG 3.83Å; W98-Y113 HydrophobicContact CE3-CD1 4.08Å; W98-Y113 AromaticContact CE3-CD2 3.93Å; W98-Y113 HydrophobicContact CE3-CD2 3.93Å; W98-Y113 AromaticContact CE3-CE1 3.79Å; W98-Y113 HydrophobicContact CE3-CE1 3.79Å; W98-Y113 AromaticContact CE3-CE2 3.63Å; W98-Y113 HydrophobicContact CE3-CE2 3.63Å; W98-Y113 HydrophobicContact CE3-CG 4.13Å; W98-Y113 AromaticContact CE3-CZ 3.53Å; W98-Y113 HydrophobicContact CG-CD1 4.24Å; W98-Y113 AromaticContact CG-CD2 3.61Å; W98-Y113 HydrophobicContact CG-CD2 3.61Å; W98-Y113 HydrophobicContact CG-CE2 4.22Å; W98-Y113 AromaticContact CG-CG 3.6Å; W98-Y113 HydrophobicContact CG-CG 3.6Å; W98-Y113 HydrophobicContact CH2-CD1 4.17Å; W98-Y113 AromaticContact CH2-CE1 3.78Å; W98-Y113 HydrophobicContact CH2-CE1 3.78Å; W98-Y113 AromaticContact CZ2-CD1 3.87Å; W98-Y113 HydrophobicContact CZ2-CD1 3.87Å; W98-Y113 AromaticContact CZ2-CE1 3.98Å; W98-Y113 HydrophobicContact CZ2-CE1 3.98Å; W98-Y113 HydrophobicContact CZ3-CD1 4.27Å; W98-Y113 AromaticContact CZ3-CE1 3.7Å; W98-Y113 HydrophobicContact CZ3-CE1 3.7Å; W98-Y113 HydrophobicContact CZ3-CE2 4.24Å; W98-Y113 AromaticContact CZ3-CZ 3.66Å; W98-F124 HydrophobicContact CB-CD1 3.9Å; W98-F124 HydrophobicContact CE3-CB 4.4Å; W98-W125 WeakPolarHBondContact CA-O 3.5Å; W98-R126 HydrophobicContact CE3-CB 4.11Å; W98-R126 HydrophobicContact CE3-CG 4.33Å; W98-R126 HydrophobicContact CH2-CB 4.35Å; W98-R126 HydrophobicContact CH2-CG 3.91Å; W98-R126 HydrophobicContact CZ3-CB 3.72Å; W98-R126 HydrophobicContact CZ3-CG 3.79Å; W98-M137 HydrophobicContact CZ3-CG 3.99Å; W98-H230 HydrophobicContact CH2-CB 3.98Å; W98-H230 WeakPolarHBondContact CH2-O 3.48Å; W98-H230 HydrophobicContact CZ3-CB 4.25Å
99	Q	92.3	Very high	89.3	Confident	56 Å²	56	44.5 Å²	44.5	26%	0.262	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.3	179.8	-177.1	179.7	-4.6	0	0	110.6	A101 F124 W125 L127	Q99-A101 PolarHBondContact O-N 3.31Å; Q99-F124 CarbonylContact O-C 3.48Å; Q99-F124 VanDerWaalsContact O-CA 3.25Å; Q99-F124 WeakPolarHBondContact O-CA 3.44Å; Q99-W125 HydrophobicContact CB-CB 4.29Å; Q99-W125 PolarHBondContact N-O 3.38Å; Q99-W125 PolarHBondContact O-N 3.47Å; Q99-L127 HydrophobicContact CB-CD1 4.32Å
100	C	91.9	Very high	89.5	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.027	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.1	176.6	-174.8	0	0	0	0	110.1	E102 C103 C106 H118 F124	C100-E102 PolarHBondContact SG-N 2.92Å; C100-C103 HydrophobicContact CB-CB 4.1Å; C100-C103 PolarHBondContact SG-N 3.39Å; C100-C106 HydrophobicContact CB-CB 4.01Å; C100-C106 PolarHBondContact N-O 3.1Å; C100-H118 PolarHBondContact SG-NE2 2.7Å; C100-H118 VanDerWaalsContact SG-NE2 3.42Å; C100-F124 HydrophobicContact CB-CD1 4.3Å; C100-F124 HydrophobicContact CB-CE1 3.87Å; C100-F124 HydrophobicContact CB-CZ 4.04Å
101	A	87.3	Confident	89.7	Confident	37 Å²	37	37.6 Å²	37.6	31%	0.306	21%	0.211	S	C	.	.	S	Bend	trans	-82.1	-23.4	178.5	0	0	0	0	0	112.7	Q99 R123 I136	Q99-A101 PolarHBondContact O-N 3.31Å; A101-R123 HydrophobicContact CB-CB 4.24Å; A101-R123 PolarHBondContact N-O 2.87Å; A101-I136 HydrophobicContact CB-CD1 3.47Å; A101-I136 VanDerWaalsContact CB-CD1 3.47Å
102	E	88.5	Confident	90	Very high	77 Å²	77	29.4 Å²	29.4	36%	0.36	18%	0.181	S	C	.	.	S	Bend	trans	-99.3	-18.7	-176.7	-65.1	76.8	-165.9	0	0	113.5	C100 H122 R123	C100-E102 PolarHBondContact SG-N 2.92Å; E102-H122 WeakPolarHBondContact OE2-CA 3.44Å; E102-H122 VanDerWaalsContact OE2-CB 3.24Å; E102-H122 WeakPolarHBondContact OE2-CB 3.5Å; E102-H122 IonicContact OE2-CG 3.76Å; E102-R123 VanDerWaalsContact CD-N 3.34Å; E102-R123 WeakPolarHBondContact OE1-CB 3.38Å; E102-R123 IonicContact OE1-CZ 3.87Å; E102-R123 PolarHBondContact OE1-N 2.94Å; E102-R123 IonicContact OE1-NE 3.08Å; E102-R123 PolarHBondContact OE1-NE 2.89Å; E102-R123 VanDerWaalsContact OE1-NE 3.08Å; E102-R123 IonicContact OE1-NH2 3.73Å; E102-R123 PolarHBondContact OE2-N 3.44Å
103	C	85.5	Confident	90.4	Very high	34 Å²	34	28 Å²	28	23%	0.23	17%	0.172	C	C	.	.	S	Bend	trans	-116.5	122.8	179.9	-64.3	0	0	0	0	111.1	C100 C106 H122	C100-C103 HydrophobicContact CB-CB 4.1Å; C100-C103 PolarHBondContact SG-N 3.39Å; C103-C106 HydrophobicContact CB-CB 3.86Å; C103-H122 PolarHBondContact SG-CE1 2.92Å
104	P	78.5	Confident	90.6	Very high	117 Å²	117	28.7 Å²	28.7	76%	0.76	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	141.6	176.8	26.2	-32.6	0	0	0	110.8	C106	P104-C106 PolarHBondContact O-N 3.31Å
105	N	72	Confident	90.8	Very high	133 Å²	133	31 Å²	31	71%	0.711	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	6.1	177.3	-57.3	-25.1	0	0	0	116.6
106	C	86.2	Confident	91	Very high	15 Å²	15	34.3 Å²	34.3	10%	0.101	21%	0.206	C	C	.	.			trans	-87.5	121.2	177.3	-173.6	0	0	0	0	110.8	D86 C100 C103 P104	D86-C106 WeakPolarHBondContact OD2-CA 3.28Å; C100-C106 HydrophobicContact CB-CB 4.01Å; C100-C106 PolarHBondContact N-O 3.1Å; C103-C106 HydrophobicContact CB-CB 3.86Å; P104-C106 PolarHBondContact O-N 3.31Å
107	C	92.3	Very high	91.2	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.3	175.3	71.7	0	0	0	0	112.6	W83 T84 D86 L97 W98	W83-C107 HydrophobicContact CE3-CB 4.27Å; T84-C107 PolarHBondContact O-SG 2.94Å; D86-C107 PolarHBondContact N-O 3.33Å; D86-C107 PolarHBondContact OD2-N 2.98Å; D86-C107 VanDerWaalsContact OD2-O 3.06Å; L97-C107 HydrophobicContact CD1-CB 3.68Å; W98-C107 CarbonylContact O-C 3.42Å; W98-C107 WeakPolarHBondContact O-CA 3.49Å
108	L	95.2	Very high	91.3	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.8	-179.8	-59.7	177	0	0	0	110.2	W98 C112 K117 H118 F124	W98-L108 HydrophobicContact CB-CB 4.26Å; W98-L108 WeakPolarHBondContact CB-O 3.13Å; W98-L108 PolarHBondContact N-O 3.46Å; W98-L108 PolarHBondContact O-N 3.38Å; L108-C112 HydrophobicContact CB-CB 4.21Å; L108-C112 HydrophobicContact CD2-CB 4.07Å; L108-K117 HydrophobicContact CD1-CB 4.44Å; L108-K117 WeakPolarHBondContact CD1-O 3.19Å; L108-H118 HydrophobicContact CD1-CB 3.9Å; L108-F124 HydrophobicContact CD1-CE1 3.8Å; L108-F124 HydrophobicContact CD1-CZ 3.92Å; L108-F124 HydrophobicContact CG-CE1 4.13Å
109	C	95.1	Very high	91.3	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.034	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	161.8	160.8	73.2	0	0	0	0	110.5	C85 I93 G111 C112 Y113	C85-C109 HydrophobicContact CB-CB 4.23Å; C85-C109 PolarHBondContact SG-N 3.26Å; C85-C109 VanDerWaalsContact SG-N 3.36Å; I93-C109 HydrophobicContact CG1-CB 4.28Å; I93-C109 HydrophobicContact CG2-CB 3.86Å; C109-G111 PolarHBondContact O-N 2.87Å; C109-C112 PolarHBondContact O-N 3.09Å; C109-Y113 WeakPolarHBondContact O-CB 3.25Å; C109-Y113 PolarHBondContact O-N 2.98Å
110	S	95.1	Very high	91.5	Very high	14 Å²	14	40.6 Å²	40.6	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-53.7	-36.1	177.3	-65.7	0	0	0	0	113.8	W98 C112 Y113 N114	W98-S110 PolarHBondContact NE1-OG 2.86Å; S110-C112 PolarHBondContact O-N 2.92Å; S110-Y113 PolarHBondContact O-N 3.28Å; S110-N114 VanDerWaalsContact O-CB 3.27Å; S110-N114 WeakPolarHBondContact O-CB 3.2Å; S110-N114 PolarHBondContact O-N 3.46Å; S110-N114 PolarHBondContact O-ND2 3.44Å
111	G	93.5	Very high	91.7	Very high	43 Å²	43	47.4 Å²	47.4	44%	0.443	27%	0.27	S	S	.	.	H	α-helix	trans	-62	-42.4	177.2	0	0	0	0	0	112.9	C109 N115	C109-G111 PolarHBondContact O-N 2.87Å; G111-N115 VanDerWaalsContact O-CB 3.26Å; G111-N115 WeakPolarHBondContact O-CB 3.43Å; G111-N115 PolarHBondContact O-N 3.28Å; G111-N115 PolarHBondContact O-ND2 3.13Å
112	C	96.2	Very high	91.9	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.034	27%	0.266	C	S	.	.	H	α-helix	trans	-76.3	-39.8	176.6	-71.7	0	0	0	0	112.2	C85 C88 L108 C109 S110 N114 N115 D116 K117	C85-C112 VanDerWaalsContact SG-SG 3.67Å; C88-C112 VanDerWaalsContact CB-SG 3.53Å; L108-C112 HydrophobicContact CB-CB 4.21Å; L108-C112 HydrophobicContact CD2-CB 4.07Å; C109-C112 PolarHBondContact O-N 3.09Å; S110-C112 PolarHBondContact O-N 2.92Å; C112-N114 VanDerWaalsContact C-N 3.34Å; C112-N114 PolarHBondContact O-N 3.41Å; C112-N115 CarbonylContact O-C 3.6Å; C112-N115 PolarHBondContact O-N 2.8Å; C112-D116 PolarHBondContact O-N 2.77Å; C112-K117 HydrophobicContact CB-CB 4.01Å; C112-K117 HydrophobicContact CB-CG 3.92Å; C112-K117 WeakPolarHBondContact O-CB 3.22Å; C112-K117 WeakPolarHBondContact O-CG 3.35Å; C112-K117 PolarHBondContact O-N 3.04Å; C112-K117 VanDerWaalsContact O-N 3.12Å
113	Y	97.2	Very high	92.1	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-45.9	178.2	-177.1	-97.7	0	0	0	112	W98 C109 S110 F124 R140 Y227 H230	W98-Y113 HydrophobicContact CB-CD2 3.71Å; W98-Y113 HydrophobicContact CB-CE2 4.3Å; W98-Y113 HydrophobicContact CB-CG 4.17Å; W98-Y113 AromaticContact CD1-CG 3.89Å; W98-Y113 AromaticContact CD2-CD1 3.74Å; W98-Y113 HydrophobicContact CD2-CD1 3.74Å; W98-Y113 AromaticContact CD2-CD2 3.69Å; W98-Y113 HydrophobicContact CD2-CD2 3.69Å; W98-Y113 AromaticContact CD2-CE1 3.96Å; W98-Y113 HydrophobicContact CD2-CE1 3.96Å; W98-Y113 AromaticContact CD2-CE2 3.9Å; W98-Y113 HydrophobicContact CD2-CE2 3.9Å; W98-Y113 AromaticContact CD2-CG 3.58Å; W98-Y113 HydrophobicContact CD2-CG 3.58Å; W98-Y113 AromaticContact CE2-CD1 3.65Å; W98-Y113 AromaticContact CE2-CG 3.83Å; W98-Y113 HydrophobicContact CE3-CD1 4.08Å; W98-Y113 AromaticContact CE3-CD2 3.93Å; W98-Y113 HydrophobicContact CE3-CD2 3.93Å; W98-Y113 AromaticContact CE3-CE1 3.79Å; W98-Y113 HydrophobicContact CE3-CE1 3.79Å; W98-Y113 AromaticContact CE3-CE2 3.63Å; W98-Y113 HydrophobicContact CE3-CE2 3.63Å; W98-Y113 HydrophobicContact CE3-CG 4.13Å; W98-Y113 AromaticContact CE3-CZ 3.53Å; W98-Y113 HydrophobicContact CG-CD1 4.24Å; W98-Y113 AromaticContact CG-CD2 3.61Å; W98-Y113 HydrophobicContact CG-CD2 3.61Å; W98-Y113 HydrophobicContact CG-CE2 4.22Å; W98-Y113 AromaticContact CG-CG 3.6Å; W98-Y113 HydrophobicContact CG-CG 3.6Å; W98-Y113 HydrophobicContact CH2-CD1 4.17Å; W98-Y113 AromaticContact CH2-CE1 3.78Å; W98-Y113 HydrophobicContact CH2-CE1 3.78Å; W98-Y113 AromaticContact CZ2-CD1 3.87Å; W98-Y113 HydrophobicContact CZ2-CD1 3.87Å; W98-Y113 AromaticContact CZ2-CE1 3.98Å; W98-Y113 HydrophobicContact CZ2-CE1 3.98Å; W98-Y113 HydrophobicContact CZ3-CD1 4.27Å; W98-Y113 AromaticContact CZ3-CE1 3.7Å; W98-Y113 HydrophobicContact CZ3-CE1 3.7Å; W98-Y113 HydrophobicContact CZ3-CE2 4.24Å; W98-Y113 AromaticContact CZ3-CZ 3.66Å; C109-Y113 WeakPolarHBondContact O-CB 3.25Å; C109-Y113 PolarHBondContact O-N 2.98Å; S110-Y113 PolarHBondContact O-N 3.28Å; Y113-F124 HydrophobicContact CD2-CD1 4.15Å; Y113-F124 HydrophobicContact CD2-CE1 4.47Å; Y113-F124 HydrophobicContact CD2-CG 4.19Å; Y113-F124 HydrophobicContact CE2-CB 3.75Å; Y113-F124 HydrophobicContact CE2-CD1 4.04Å; Y113-F124 AromaticContact CE2-CD2 3.87Å; Y113-F124 HydrophobicContact CE2-CD2 3.87Å; Y113-F124 AromaticContact CE2-CG 3.61Å; Y113-F124 HydrophobicContact CE2-CG 3.61Å; Y113-R140 HydrophobicContact CE1-CG 4.16Å; Y113-R140 HydrophobicContact CE2-CG 4.07Å; Y113-R140 VanDerWaalsContact CZ-CD 3.49Å; Y113-R140 PolarHBondContact O-NH1 3.05Å; Y113-R140 WeakPolarHBondContact OH-CG 3.39Å; Y113-Y227 HydrophobicContact CD1-CD2 4.19Å; Y113-Y227 AromaticContact CE1-CD2 3.8Å; Y113-Y227 HydrophobicContact CE1-CD2 3.8Å; Y113-H230 HydrophobicContact CE1-CB 4.46Å; Y113-H230 AromaticContact CE1-ND1 3.82Å; Y113-H230 AromaticContact CZ-ND1 3.68Å; Y113-H230 PolarHBondContact OH-CE1 3.23Å; Y113-H230 PolarHBondContact OH-ND1 3.16Å
114	N	96.3	Very high	92.4	Very high	13 Å²	13	48 Å²	48	7%	0.07	26%	0.258	C	S	.	.	H	α-helix	trans	-79.3	-18	-179.4	-72.1	-35.5	0	0	0	113.8	S110 C112 D116 K145 S225 Y227	S110-N114 VanDerWaalsContact O-CB 3.27Å; S110-N114 WeakPolarHBondContact O-CB 3.2Å; S110-N114 PolarHBondContact O-N 3.46Å; S110-N114 PolarHBondContact O-ND2 3.44Å; C112-N114 VanDerWaalsContact C-N 3.34Å; C112-N114 PolarHBondContact O-N 3.41Å; N114-D116 VanDerWaalsContact C-N 3.32Å; N114-K145 WeakPolarHBondContact O-CE 3.48Å; N114-K145 PolarHBondContact O-NZ 2.82Å; N114-S225 VanDerWaalsContact CB-O 3.31Å; N114-S225 WeakPolarHBondContact CB-O 3.4Å; N114-Y227 PolarHBondContact OD1-N 3.08Å
115	N	94.7	Very high	92.8	Very high	78 Å²	78	47.1 Å²	47.1	42%	0.417	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	30	172.8	-72	-43	0	0	0	112.8	G111 C112 K117	G111-N115 VanDerWaalsContact O-CB 3.26Å; G111-N115 WeakPolarHBondContact O-CB 3.43Å; G111-N115 PolarHBondContact O-N 3.28Å; G111-N115 PolarHBondContact O-ND2 3.13Å; C112-N115 CarbonylContact O-C 3.6Å; C112-N115 PolarHBondContact O-N 2.8Å; N115-K117 PolarHBondContact O-N 3.29Å
116	D	96.3	Very high	93.7	Very high	69 Å²	69	41.5 Å²	41.5	37%	0.369	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	25.2	167.3	-54.7	-16.2	0	0	0	114.7	C112 N114 L120 K145 Y227	C112-D116 PolarHBondContact O-N 2.77Å; N114-D116 VanDerWaalsContact C-N 3.32Å; D116-L120 HydrophobicContact CB-CD1 4.41Å; D116-L120 HydrophobicContact CB-CD2 3.9Å; D116-K145 IonicContact OD1-NZ 2.65Å; D116-K145 PolarHBondContact OD1-NZ 2.89Å; D116-K145 IonicContact OD2-NZ 2.76Å; D116-K145 PolarHBondContact OD2-NZ 3.48Å; D116-Y227 PolarHBondContact OD1-OH 2.94Å
117	K	95.2	Very high	93.7	Very high	40 Å²	40	42 Å²	42	17%	0.174	21%	0.21	C	C	.	.			trans	-72.1	148.3	172.3	-58.5	-62.6	-172.4	172.3	0	109.8	S87 L108 C112 N115 R140 W402	S87-K117 WeakPolarHBondContact OG-CG 3.41Å; L108-K117 HydrophobicContact CD1-CB 4.44Å; L108-K117 WeakPolarHBondContact CD1-O 3.19Å; C112-K117 HydrophobicContact CB-CB 4.01Å; C112-K117 HydrophobicContact CB-CG 3.92Å; C112-K117 WeakPolarHBondContact O-CB 3.22Å; C112-K117 WeakPolarHBondContact O-CG 3.35Å; C112-K117 PolarHBondContact O-N 3.04Å; C112-K117 VanDerWaalsContact O-N 3.12Å; N115-K117 PolarHBondContact O-N 3.29Å; K117-R140 VanDerWaalsContact O-CZ 3.27Å; K117-R140 PolarHBondContact O-NH1 3.48Å; K117-R140 PolarHBondContact O-NH2 3.44Å; K117-W402 PolarHBondContact NZ-O 3.33Å
118	H	93.5	Very high	93.1	Very high	66 Å²	66	42.7 Å²	42.7	31%	0.306	22%	0.217	S	C	.	.	S	Bend	trans	64.6	170.2	-172	-164.2	84	0	0	0	113.7	C100 L108 L120 H122 F124	C100-H118 PolarHBondContact SG-NE2 2.7Å; C100-H118 VanDerWaalsContact SG-NE2 3.42Å; L108-H118 HydrophobicContact CD1-CB 3.9Å; H118-L120 PolarHBondContact O-N 3Å; H118-H122 AromaticContact CD2-ND1 3.78Å; H118-H122 AromaticContact CE1-ND1 3.99Å; H118-H122 AromaticContact NE2-CE1 3.79Å; H118-H122 AromaticContact NE2-CG 3.88Å; H118-H122 AromaticContact NE2-ND1 2.97Å; H118-H122 PolarHBondContact NE2-ND1 2.8Å; H118-F124 HydrophobicContact CB-CZ 4.09Å; H118-F124 AromaticContact CD2-CE2 3.87Å; H118-F124 AromaticContact CD2-CZ 3.42Å; H118-F124 VanDerWaalsContact CD2-CZ 3.42Å; H118-F124 WeakPolarHBondContact CD2-CZ 3.3Å; H118-F124 AromaticContact CG-CZ 3.95Å
119	S	94.9	Very high	92.1	Very high	41 Å²	41	44.6 Å²	44.6	29%	0.287	22%	0.224	S	C	.	.			trans	-54.2	126.2	178.9	179.5	0	0	0	0	112.2	K121 H122 R140	S119-K121 PolarHBondContact O-N 3.32Å; S119-K121 PolarHBondContact OG-N 3.34Å; S119-H122 PolarHBondContact OG-CD2 2.93Å; S119-R140 PolarHBondContact O-NH2 3.17Å
120	L	96.6	Very high	90.8	Very high	56 Å²	56	48.2 Å²	48.2	29%	0.293	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-12.6	173.3	-60.8	-177.7	0	0	0	112.9	D116 H118 R140 K141	D116-L120 HydrophobicContact CB-CD1 4.41Å; D116-L120 HydrophobicContact CB-CD2 3.9Å; H118-L120 PolarHBondContact O-N 3Å; L120-R140 HydrophobicContact CB-CB 4.47Å; L120-R140 HydrophobicContact CD2-CB 3.96Å; L120-R140 PolarHBondContact O-N 2.88Å; L120-K141 HydrophobicContact CB-CB 4.04Å; L120-K141 WeakPolarHBondContact O-CB 3.48Å; L120-K141 PolarHBondContact O-N 2.93Å
121	K	94.6	Very high	89.2	Confident	147 Å²	147	51 Å²	51	64%	0.639	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-21	176.6	-62.3	179.5	-177.2	175.5	0	112.4	S119 P139 K141	S119-K121 PolarHBondContact O-N 3.32Å; S119-K121 PolarHBondContact OG-N 3.34Å; K121-P139 WeakPolarHBondContact O-CB 3.44Å; K121-K141 HydrophobicContact CG-CD 4.16Å
122	H	93	Very high	87.8	Confident	51 Å²	51	49.5 Å²	49.5	24%	0.236	26%	0.261	C	S	.	.	S	Bend	trans	-76.3	145.8	178.6	-70.5	-173.1	0	0	0	110.4	E102 C103 H118 S119 F124	E102-H122 WeakPolarHBondContact OE2-CA 3.44Å; E102-H122 VanDerWaalsContact OE2-CB 3.24Å; E102-H122 WeakPolarHBondContact OE2-CB 3.5Å; E102-H122 IonicContact OE2-CG 3.76Å; C103-H122 PolarHBondContact SG-CE1 2.92Å; H118-H122 AromaticContact CD2-ND1 3.78Å; H118-H122 AromaticContact CE1-ND1 3.99Å; H118-H122 AromaticContact NE2-CE1 3.79Å; H118-H122 AromaticContact NE2-CG 3.88Å; H118-H122 AromaticContact NE2-ND1 2.97Å; H118-H122 PolarHBondContact NE2-ND1 2.8Å; S119-H122 PolarHBondContact OG-CD2 2.93Å; H122-F124 HydrophobicContact CB-CE2 4.12Å
123	R	91.7	Very high	85.9	Confident	109 Å²	109	50 Å²	50	41%	0.411	27%	0.268	S	S	.	.			trans	-85.1	156.7	170.4	-62.9	178.9	-63.9	168.5	2.9	109	A101 E102 I136 M137 P139	A101-R123 HydrophobicContact CB-CB 4.24Å; A101-R123 PolarHBondContact N-O 2.87Å; E102-R123 VanDerWaalsContact CD-N 3.34Å; E102-R123 WeakPolarHBondContact OE1-CB 3.38Å; E102-R123 IonicContact OE1-CZ 3.87Å; E102-R123 PolarHBondContact OE1-N 2.94Å; E102-R123 IonicContact OE1-NE 3.08Å; E102-R123 PolarHBondContact OE1-NE 2.89Å; E102-R123 VanDerWaalsContact OE1-NE 3.08Å; E102-R123 IonicContact OE1-NH2 3.73Å; E102-R123 PolarHBondContact OE2-N 3.44Å; R123-I136 HydrophobicContact CB-CD1 3.65Å; R123-I136 HydrophobicContact CB-CG1 4.17Å; R123-M137 VanDerWaalsContact CB-O 3.31Å; R123-M137 WeakPolarHBondContact CB-O 3.35Å; R123-M137 WeakPolarHBondContact CG-O 3.49Å; R123-P139 HydrophobicContact CG-CG 3.79Å
124	F	91.8	Very high	84.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	136	-179.3	-80	-104.4	0	0	0	109.4	W98 Q99 C100 L108 Y113 H118 H122 M137 R140	W98-F124 HydrophobicContact CB-CD1 3.9Å; W98-F124 HydrophobicContact CE3-CB 4.4Å; Q99-F124 CarbonylContact O-C 3.48Å; Q99-F124 VanDerWaalsContact O-CA 3.25Å; Q99-F124 WeakPolarHBondContact O-CA 3.44Å; C100-F124 HydrophobicContact CB-CD1 4.3Å; C100-F124 HydrophobicContact CB-CE1 3.87Å; C100-F124 HydrophobicContact CB-CZ 4.04Å; L108-F124 HydrophobicContact CD1-CE1 3.8Å; L108-F124 HydrophobicContact CD1-CZ 3.92Å; L108-F124 HydrophobicContact CG-CE1 4.13Å; Y113-F124 HydrophobicContact CD2-CD1 4.15Å; Y113-F124 HydrophobicContact CD2-CE1 4.47Å; Y113-F124 HydrophobicContact CD2-CG 4.19Å; Y113-F124 HydrophobicContact CE2-CB 3.75Å; Y113-F124 HydrophobicContact CE2-CD1 4.04Å; Y113-F124 AromaticContact CE2-CD2 3.87Å; Y113-F124 HydrophobicContact CE2-CD2 3.87Å; Y113-F124 AromaticContact CE2-CG 3.61Å; Y113-F124 HydrophobicContact CE2-CG 3.61Å; H118-F124 HydrophobicContact CB-CZ 4.09Å; H118-F124 AromaticContact CD2-CE2 3.87Å; H118-F124 AromaticContact CD2-CZ 3.42Å; H118-F124 VanDerWaalsContact CD2-CZ 3.42Å; H118-F124 WeakPolarHBondContact CD2-CZ 3.3Å; H118-F124 AromaticContact CG-CZ 3.95Å; H122-F124 HydrophobicContact CB-CE2 4.12Å; F124-M137 WeakPolarHBondContact O-CB 3.36Å; F124-M137 PolarHBondContact O-N 3.39Å; F124-R140 VanDerWaalsContact CE2-NH2 3.3Å
125	W	87.9	Confident	83.5	Confident	99 Å²	99	52.5 Å²	52.5	38%	0.375	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	124.8	162.4	-61.1	100.1	0	0	0	108.6	W98 Q99 L127 G134 C135 I136	W98-W125 WeakPolarHBondContact CA-O 3.5Å; Q99-W125 HydrophobicContact CB-CB 4.29Å; Q99-W125 PolarHBondContact N-O 3.38Å; Q99-W125 PolarHBondContact O-N 3.47Å; W125-L127 HydrophobicContact CB-CD1 3.77Å; W125-G134 VanDerWaalsContact CE3-C 3.49Å; W125-G134 VanDerWaalsContact CE3-O 3.3Å; W125-G134 WeakPolarHBondContact CZ3-O 3.19Å; W125-C135 CarbonylContact C-O 3.54Å; W125-C135 WeakPolarHBondContact CA-O 3.33Å; W125-I136 HydrophobicContact CD2-CB 4.27Å; W125-I136 HydrophobicContact CD2-CD1 3.95Å; W125-I136 HydrophobicContact CE3-CB 3.84Å; W125-I136 HydrophobicContact CE3-CD1 4.39Å; W125-I136 HydrophobicContact CG-CD1 4.27Å; W125-I136 HydrophobicContact CH2-CB 4.01Å; W125-I136 HydrophobicContact CZ2-CB 4.4Å; W125-I136 HydrophobicContact CZ2-CD1 4.24Å; W125-I136 HydrophobicContact CZ3-CB 3.72Å; W125-I136 HydrophobicContact CZ3-CG2 4.38Å
126	R	89.8	Confident	83	Confident	15 Å²	15	51.7 Å²	51.7	6%	0.057	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.5	170.2	-177.5	-179.8	71.9	-159.8	3.3	109	V96 W98 G134 C135 M137 H230 L231 D239	V96-R126 HydrophobicContact CG1-CG 3.64Å; W98-R126 HydrophobicContact CE3-CB 4.11Å; W98-R126 HydrophobicContact CE3-CG 4.33Å; W98-R126 HydrophobicContact CH2-CB 4.35Å; W98-R126 HydrophobicContact CH2-CG 3.91Å; W98-R126 HydrophobicContact CZ3-CB 3.72Å; W98-R126 HydrophobicContact CZ3-CG 3.79Å; R126-G134 WeakPolarHBondContact O-CA 3.23Å; R126-C135 PolarHBondContact N-O 3.01Å; R126-C135 PolarHBondContact O-N 3.34Å; R126-M137 HydrophobicContact CB-CE 4.26Å; R126-M137 HydrophobicContact CB-CG 4.15Å; R126-M137 HydrophobicContact CB-SD 4.41Å; R126-H230 WeakPolarHBondContact CD-O 3.48Å; R126-H230 PolarHBondContact NH1-O 2.81Å; R126-L231 PolarHBondContact NH1-O 3.07Å; R126-D239 IonicContact CZ-OD2 2.63Å; R126-D239 IonicContact NE-OD2 3.6Å; R126-D239 PolarHBondContact NE-OD2 2.87Å; R126-D239 IonicContact NH2-OD1 3.9Å; R126-D239 IonicContact NH2-OD2 3.44Å; R126-D239 PolarHBondContact NH2-OD2 3.16Å
127	L	86.6	Confident	82.6	Confident	24 Å²	24	49.2 Å²	49.2	13%	0.126	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	112.9	174.1	-71.8	81.6	0	0	0	108.4	H81 V96 L97 Q99 W125 S132	H81-L127 PolarHBondContact NE2-O 2.93Å; V96-L127 WeakPolarHBondContact CA-O 3.42Å; V96-L127 WeakPolarHBondContact CG1-O 3.42Å; L97-L127 HydrophobicContact CB-CB 4.1Å; L97-L127 HydrophobicContact CD2-CD2 4.22Å; L97-L127 PolarHBondContact N-O 3.38Å; L97-L127 PolarHBondContact O-N 3.05Å; Q99-L127 HydrophobicContact CB-CD1 4.32Å; W125-L127 HydrophobicContact CB-CD1 3.77Å; L127-S132 VanDerWaalsContact CA-OG 3.29Å; L127-S132 WeakPolarHBondContact CA-OG 3.23Å; L127-S132 WeakPolarHBondContact CB-OG 3.45Å
128	G	79.3	Confident	82.2	Confident	17 Å²	17	53 Å²	53	18%	0.175	29%	0.291	C	S	.	.			trans	-90	-19.2	-172.8	0	0	0	0	0	115	S132	G128-S132 PolarHBondContact N-OG 3.17Å
129	W	74.1	Confident	82.2	Confident	43 Å²	43	50.8 Å²	50.8	16%	0.163	28%	0.282	C	S	.	.	S	Bend	trans	-150.9	157.7	178.9	52	93.7	0	0	0	110	H81 G131 S132 L232 R238 D239	H81-W129 PolarHBondContact CE1-O 3.42Å; H81-W129 VanDerWaalsContact CE1-O 3.24Å; W129-G131 PolarHBondContact O-N 2.98Å; W129-S132 VanDerWaalsContact NE1-CA 3.28Å; W129-S132 VanDerWaalsContact NE1-CB 3.26Å; W129-S132 WeakPolarHBondContact O-CB 3.17Å; W129-S132 PolarHBondContact O-N 3.01Å; W129-S132 PolarHBondContact O-OG 2.84Å; W129-L232 HydrophobicContact CZ3-CD2 3.87Å; W129-R238 HydrophobicContact CD2-CG 4.3Å; W129-R238 HydrophobicContact CE3-CG 3.99Å; W129-R238 VanDerWaalsContact CH2-C 3.45Å; W129-R238 HydrophobicContact CH2-CB 3.27Å; W129-R238 HydrophobicContact CH2-CG 3.48Å; W129-R238 VanDerWaalsContact CH2-CG 3.48Å; W129-R238 HydrophobicContact CZ2-CB 3.26Å; W129-R238 HydrophobicContact CZ2-CG 3.74Å; W129-R238 HydrophobicContact CZ3-CB 3.94Å; W129-R238 HydrophobicContact CZ3-CG 3.57Å; W129-D239 HydrophobicContact CH2-CB 4.4Å; W129-D239 WeakPolarHBondContact CZ2-O 3.31Å
130	P	69.2	Low	82.3	Confident	82 Å²	82	49 Å²	49	53%	0.532	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	129.6	171.1	-28.4	38.2	0	0	0	111.1	K80 S132	K80-P130 WeakPolarHBondContact O-CG 3.45Å; P130-S132 VanDerWaalsContact C-N 3.28Å; P130-S132 PolarHBondContact O-N 2.85Å
131	G	61.4	Low	82.2	Confident	73 Å²	73	53.1 Å²	53.1	75%	0.753	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	0.8	-176.7	0	0	0	0	0	115.6	W129	W129-G131 PolarHBondContact O-N 2.98Å
132	S	63.4	Low	82	Confident	10 Å²	10	54.5 Å²	54.5	7%	0.07	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-60.6	142.5	173.9	69.9	0	0	0	0	111.9	L127 G128 W129 P130 G134	L127-S132 VanDerWaalsContact CA-OG 3.29Å; L127-S132 WeakPolarHBondContact CA-OG 3.23Å; L127-S132 WeakPolarHBondContact CB-OG 3.45Å; G128-S132 PolarHBondContact N-OG 3.17Å; W129-S132 VanDerWaalsContact NE1-CA 3.28Å; W129-S132 VanDerWaalsContact NE1-CB 3.26Å; W129-S132 WeakPolarHBondContact O-CB 3.17Å; W129-S132 PolarHBondContact O-N 3.01Å; W129-S132 PolarHBondContact O-OG 2.84Å; P130-S132 VanDerWaalsContact C-N 3.28Å; P130-S132 PolarHBondContact O-N 2.85Å; S132-G134 PolarHBondContact O-N 3.12Å
133	G	56.4	Low	82	Confident	17 Å²	17	53.3 Å²	53.3	18%	0.175	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-61.9	131.7	161	0	0	0	0	0	108.9	D239 Q243	G133-D239 PolarHBondContact N-O 3.28Å; G133-Q243 VanDerWaalsContact N-NE2 3.1Å
134	G	67.8	Low	82.2	Confident	31 Å²	31	52.6 Å²	52.6	32%	0.32	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.8	138.9	173.4	0	0	0	0	0	110.8	W125 R126 S132	W125-G134 VanDerWaalsContact CE3-C 3.49Å; W125-G134 VanDerWaalsContact CE3-O 3.3Å; W125-G134 WeakPolarHBondContact CZ3-O 3.19Å; R126-G134 WeakPolarHBondContact O-CA 3.23Å; S132-G134 PolarHBondContact O-N 3.12Å
135	C	74.2	Confident	82.4	Confident	35 Å²	35	56 Å²	56	24%	0.236	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.7	169.3	-169.3	0	0	0	0	110.4	W125 R126 M137 D239	W125-C135 CarbonylContact C-O 3.54Å; W125-C135 WeakPolarHBondContact CA-O 3.33Å; R126-C135 PolarHBondContact N-O 3.01Å; R126-C135 PolarHBondContact O-N 3.34Å; C135-M137 HydrophobicContact CB-CE 3.67Å; C135-M137 WeakPolarHBondContact O-CE 3.43Å; C135-M137 PolarHBondContact O-N 3Å; C135-M137 WeakPolarHBondContact SG-CE 3.36Å; C135-D239 HydrophobicContact CB-CB 3.83Å; C135-D239 VanDerWaalsContact CB-OD2 3.25Å; C135-D239 WeakPolarHBondContact CB-OD2 3.23Å
136	I	85.5	Confident	82.9	Confident	61 Å²	61	52.1 Å²	52.1	31%	0.313	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.6	-178	-169.1	66.4	0	0	0	110.2	A101 R123 W125	A101-I136 HydrophobicContact CB-CD1 3.47Å; A101-I136 VanDerWaalsContact CB-CD1 3.47Å; R123-I136 HydrophobicContact CB-CD1 3.65Å; R123-I136 HydrophobicContact CB-CG1 4.17Å; W125-I136 HydrophobicContact CD2-CB 4.27Å; W125-I136 HydrophobicContact CD2-CD1 3.95Å; W125-I136 HydrophobicContact CE3-CB 3.84Å; W125-I136 HydrophobicContact CE3-CD1 4.39Å; W125-I136 HydrophobicContact CG-CD1 4.27Å; W125-I136 HydrophobicContact CH2-CB 4.01Å; W125-I136 HydrophobicContact CZ2-CB 4.4Å; W125-I136 HydrophobicContact CZ2-CD1 4.24Å; W125-I136 HydrophobicContact CZ3-CB 3.72Å; W125-I136 HydrophobicContact CZ3-CG2 4.38Å
137	M	87.7	Confident	83.2	Confident	16 Å²	16	53.7 Å²	53.7	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	153.6	178.5	-59.8	-65.7	100.7	0	0	111.8	W98 R123 F124 R126 C135 H230	W98-M137 HydrophobicContact CZ3-CG 3.99Å; R123-M137 VanDerWaalsContact CB-O 3.31Å; R123-M137 WeakPolarHBondContact CB-O 3.35Å; R123-M137 WeakPolarHBondContact CG-O 3.49Å; F124-M137 WeakPolarHBondContact O-CB 3.36Å; F124-M137 PolarHBondContact O-N 3.39Å; R126-M137 HydrophobicContact CB-CE 4.26Å; R126-M137 HydrophobicContact CB-CG 4.15Å; R126-M137 HydrophobicContact CB-SD 4.41Å; C135-M137 HydrophobicContact CB-CE 3.67Å; C135-M137 WeakPolarHBondContact O-CE 3.43Å; C135-M137 PolarHBondContact O-N 3Å; C135-M137 WeakPolarHBondContact SG-CE 3.36Å; M137-H230 HydrophobicContact CG-CB 4.4Å; M137-H230 HydrophobicContact SD-CB 4.13Å
138	E	86.2	Confident	83.7	Confident	120 Å²	120	53.1 Å²	53.1	56%	0.561	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-61	152.7	167.8	-73.4	-58.5	131.3	0	0	111.7	R140 H230	E138-R140 PolarHBondContact O-N 3.23Å; E138-H230 PolarHBondContact O-CE1 3.32Å; E138-H230 PolarHBondContact O-NE2 3.15Å
139	P	93.4	Very high	84.6	Confident	19 Å²	19	57.1 Å²	57.1	12%	0.123	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-57.8	128.8	177	-25.1	34.9	0	0	0	112	K121 R123 K141 K142 S143	K121-P139 WeakPolarHBondContact O-CB 3.44Å; R123-P139 HydrophobicContact CG-CG 3.79Å; P139-K141 PolarHBondContact O-N 3.47Å; P139-K142 PolarHBondContact O-N 3.48Å; P139-S143 PolarHBondContact O-OG 2.91Å
140	R	97.1	Very high	85.8	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.011	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-48.9	-32	178.6	-80.1	-179.2	-73.4	168.2	7.4	114.1	Y113 K117 S119 L120 F124 E138 K142 S143 Y227	Y113-R140 HydrophobicContact CE1-CG 4.16Å; Y113-R140 HydrophobicContact CE2-CG 4.07Å; Y113-R140 VanDerWaalsContact CZ-CD 3.49Å; Y113-R140 PolarHBondContact O-NH1 3.05Å; Y113-R140 WeakPolarHBondContact OH-CG 3.39Å; K117-R140 VanDerWaalsContact O-CZ 3.27Å; K117-R140 PolarHBondContact O-NH1 3.48Å; K117-R140 PolarHBondContact O-NH2 3.44Å; S119-R140 PolarHBondContact O-NH2 3.17Å; L120-R140 HydrophobicContact CB-CB 4.47Å; L120-R140 HydrophobicContact CD2-CB 3.96Å; L120-R140 PolarHBondContact O-N 2.88Å; F124-R140 VanDerWaalsContact CE2-NH2 3.3Å; E138-R140 PolarHBondContact O-N 3.23Å; R140-K142 PolarHBondContact O-N 3.46Å; R140-S143 PolarHBondContact O-N 3.19Å; R140-Y227 HydrophobicContact CB-CD1 4.42Å; R140-Y227 HydrophobicContact CB-CE1 3.79Å; R140-Y227 HydrophobicContact CB-CE2 4.03Å; R140-Y227 HydrophobicContact CG-CD1 4.27Å; R140-Y227 HydrophobicContact CG-CD2 3.81Å; R140-Y227 HydrophobicContact CG-CE1 4Å; R140-Y227 HydrophobicContact CG-CE2 3.52Å; R140-Y227 HydrophobicContact CG-CG 4.15Å; R140-Y227 VanDerWaalsContact O-CE1 3.3Å; R140-Y227 WeakPolarHBondContact O-CE1 3.4Å
141	K	94.8	Very high	87.1	Confident	144 Å²	144	51.2 Å²	51.2	63%	0.626	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-58.8	-27.8	176.9	-174.3	173.2	-179.2	-179	0	113.7	L120 K121 P139	L120-K141 HydrophobicContact CB-CB 4.04Å; L120-K141 WeakPolarHBondContact O-CB 3.48Å; L120-K141 PolarHBondContact O-N 2.93Å; K121-K141 HydrophobicContact CG-CD 4.16Å; P139-K141 PolarHBondContact O-N 3.47Å
142	K	90	Very high	88.9	Confident	176 Å²	176	49.6 Å²	49.6	77%	0.765	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-100.8	-1.1	-179	-63.4	-177.5	-179.2	178.3	0	113.1	P139 R140	P139-K142 PolarHBondContact O-N 3.48Å; R140-K142 PolarHBondContact O-N 3.46Å
143	S	93.7	Very high	90.4	Very high	25 Å²	25	52.3 Å²	52.3	18%	0.175	27%	0.269	C	S	.	.	S	Bend	trans	-101.1	147.3	-168.3	-54.3	0	0	0	0	112.3	P139 R140 K145 H230	P139-S143 PolarHBondContact O-OG 2.91Å; R140-S143 PolarHBondContact O-N 3.19Å; S143-K145 PolarHBondContact O-N 3.37Å; S143-H230 VanDerWaalsContact CB-NE2 3.3Å; S143-H230 WeakPolarHBondContact CB-NE2 3.5Å; S143-H230 PolarHBondContact OG-CE1 2.83Å; S143-H230 PolarHBondContact OG-NE2 3.19Å
144	K	94.7	Very high	92.3	Very high	94 Å²	94	53.3 Å²	53.3	41%	0.409	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-72.2	122.9	178.9	-164.3	-172.1	-176	-158.3	0	110.4	E34 I146 R228	E34-K144 IonicContact OE1-NZ 3.58Å; E34-K144 IonicContact OE2-NZ 3.1Å; E34-K144 PolarHBondContact OE2-NZ 2.9Å; E34-K144 VanDerWaalsContact OE2-NZ 3.1Å; K144-I146 HydrophobicContact CD-CD1 3.86Å; K144-I146 HydrophobicContact CG-CD1 4.04Å; K144-R228 PolarHBondContact O-N 3.45Å; K144-R228 VanDerWaalsContact O-N 3.11Å
145	K	96.8	Very high	93.7	Very high	72 Å²	72	51.9 Å²	51.9	31%	0.313	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129	177.1	-167.8	167.1	177	168.6	0	110.3	N114 D116 S143 S225 Y226 Y227	N114-K145 WeakPolarHBondContact O-CE 3.48Å; N114-K145 PolarHBondContact O-NZ 2.82Å; D116-K145 IonicContact OD1-NZ 2.65Å; D116-K145 PolarHBondContact OD1-NZ 2.89Å; D116-K145 IonicContact OD2-NZ 2.76Å; D116-K145 PolarHBondContact OD2-NZ 3.48Å; S143-K145 PolarHBondContact O-N 3.37Å; K145-S225 WeakPolarHBondContact CE-OG 3.47Å; K145-Y226 CarbonylContact C-O 3.52Å; K145-Y226 VanDerWaalsContact CA-O 3.3Å; K145-Y226 WeakPolarHBondContact CA-O 3.46Å; K145-Y227 HydrophobicContact CB-CD1 4.23Å; K145-Y227 HydrophobicContact CB-CE1 4.14Å; K145-Y227 HydrophobicContact CD-CE1 4.07Å; K145-Y227 HydrophobicContact CD-CE2 4.5Å; K145-Y227 HydrophobicContact CG-CE1 4.36Å
146	I	97.7	Very high	94.9	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.087	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.6	-174.9	-58.7	-61.1	0	0	0	109.5	E34 K144 S225 Y226 R228	E34-I146 HydrophobicContact CG-CG2 4.18Å; E34-I146 WeakPolarHBondContact OE2-CD1 3.25Å; K144-I146 HydrophobicContact CD-CD1 3.86Å; K144-I146 HydrophobicContact CG-CD1 4.04Å; I146-S225 CarbonylContact O-C 3.47Å; I146-S225 WeakPolarHBondContact O-CA 3.49Å; I146-S225 VanDerWaalsContact O-CB 3.22Å; I146-S225 WeakPolarHBondContact O-CB 3.41Å; I146-Y226 HydrophobicContact CB-CD1 4.21Å; I146-Y226 HydrophobicContact CB-CE1 3.68Å; I146-Y226 HydrophobicContact CB-CE2 4.35Å; I146-Y226 HydrophobicContact CG2-CE1 3.66Å; I146-Y226 PolarHBondContact N-O 3.13Å; I146-Y226 WeakPolarHBondContact O-CD1 3.2Å; I146-Y226 PolarHBondContact O-N 3.16Å; I146-R228 HydrophobicContact CG1-CB 3.84Å; I146-R228 HydrophobicContact CG1-CG 4.45Å
147	A	97.3	Very high	95.4	Very high	48 Å²	48	50.4 Å²	50.4	40%	0.397	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139.3	174.5	0	0	0	0	0	111.4	G35 G224	G35-A147 WeakPolarHBondContact CA-O 3.15Å; A147-G224 WeakPolarHBondContact CA-O 3.38Å
148	I	97.9	Very high	95.9	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.067	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135	177.3	-55.2	169.4	0	0	0	109.3	G35 V37 L72 F152 G223 G224 Y226	G35-I148 WeakPolarHBondContact O-CA 3.3Å; V37-I148 HydrophobicContact CG2-CG2 3.48Å; V37-I148 VanDerWaalsContact CG2-CG2 3.48Å; L72-I148 HydrophobicContact CD1-CD1 4.01Å; L72-I148 HydrophobicContact CD1-CG1 4.47Å; L72-I148 HydrophobicContact CD2-CD1 4.2Å; L72-I148 HydrophobicContact CD2-CG1 4.45Å; L72-I148 HydrophobicContact CD2-CG2 4Å; I148-F152 HydrophobicContact CG2-CD2 4.34Å; I148-F152 HydrophobicContact CG2-CE1 4.49Å; I148-F152 HydrophobicContact CG2-CE2 3.39Å; I148-F152 HydrophobicContact CG2-CZ 3.48Å; I148-F152 VanDerWaalsContact CG2-CZ 3.48Å; I148-G223 PolarHBondContact O-N 3.48Å; I148-G224 PolarHBondContact N-O 3.09Å; I148-Y226 HydrophobicContact CD1-CD1 4.08Å; I148-Y226 HydrophobicContact CG1-CD1 3.41Å; I148-Y226 VanDerWaalsContact CG1-CD1 3.41Å; I148-Y226 HydrophobicContact CG1-CE1 3.96Å; I148-Y226 HydrophobicContact CG1-CG 4.42Å
149	R	98	Very high	96.4	Very high	101 Å²	101	48 Å²	48	38%	0.381	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.1	176	-66.8	-173.5	175.5	100.3	-2.3	111.4	G35 H36 V37 D220 G221	G35-R149 PolarHBondContact O-N 3.05Å; H36-R149 WeakPolarHBondContact CA-O 2.98Å; V37-R149 WeakPolarHBondContact CG2-O 3.35Å; V37-R149 PolarHBondContact N-O 3.33Å; V37-R149 VanDerWaalsContact N-O 3.09Å; R149-D220 HydrophobicContact CB-CB 4.33Å; R149-D220 WeakPolarHBondContact CD-OD1 3.39Å; R149-G221 WeakPolarHBondContact CA-O 3.49Å
150	G	97.8	Very high	96.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150	-144.2	176.5	0	0	0	0	0	113.2	D54 F152 G221	D54-G150 WeakPolarHBondContact OD2-CA 3.23Å; G150-F152 VanDerWaalsContact C-N 3.31Å; G150-F152 PolarHBondContact O-N 2.63Å; G150-G221 PolarHBondContact N-O 3.18Å; G150-G221 VanDerWaalsContact N-O 3.13Å; G150-G221 PolarHBondContact O-N 2.88Å
151	L	98	Very high	96.3	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.266	C	S	.	.	S	Bend	trans	-76	80.4	175.4	-70.5	167.3	0	0	0	110.5	D54 V157 L178 I181 L207 L215	D54-L151 HydrophobicContact CB-CB 4.49Å; D54-L151 HydrophobicContact CB-CD1 4.04Å; D54-L151 HydrophobicContact CB-CG 3.89Å; D54-L151 PolarHBondContact OD2-N 3.46Å; L151-V157 HydrophobicContact CD2-CB 4.49Å; L151-V157 HydrophobicContact CD2-CG1 3.41Å; L151-V157 VanDerWaalsContact CD2-CG1 3.41Å; L151-L178 HydrophobicContact CB-CD1 4Å; L151-L178 HydrophobicContact CD2-CD1 4.25Å; L151-I181 WeakPolarHBondContact O-CD1 3.46Å; L151-L207 HydrophobicContact CB-CD1 4.38Å; L151-L207 HydrophobicContact CB-CD2 3.8Å; L151-L207 HydrophobicContact CD1-CD1 3.51Å; L151-L207 HydrophobicContact CD1-CD2 4.37Å; L151-L215 HydrophobicContact CD1-CB 4.14Å; L151-L215 HydrophobicContact CD2-CB 4.19Å
152	F	97.4	Very high	96.3	Very high	38 Å²	38	47 Å²	47	17%	0.167	24%	0.242	C	C	.	.	S	Bend	trans	-128.6	164.3	175.8	-67.3	-80.1	0	0	0	110.7	V37 I148 G150 G154 A155 G223	V37-F152 HydrophobicContact CB-CE2 4.5Å; V37-F152 HydrophobicContact CG2-CE2 3.92Å; V37-F152 HydrophobicContact CG2-CZ 4.15Å; I148-F152 HydrophobicContact CG2-CD2 4.34Å; I148-F152 HydrophobicContact CG2-CE1 4.49Å; I148-F152 HydrophobicContact CG2-CE2 3.39Å; I148-F152 HydrophobicContact CG2-CZ 3.48Å; I148-F152 VanDerWaalsContact CG2-CZ 3.48Å; G150-F152 VanDerWaalsContact C-N 3.31Å; G150-F152 PolarHBondContact O-N 2.63Å; F152-G154 PolarHBondContact O-N 3.29Å; F152-A155 WeakPolarHBondContact O-CB 3.26Å; F152-A155 PolarHBondContact O-N 2.94Å; F152-G223 VanDerWaalsContact CD1-CA 3.46Å
153	P	96.9	Very high	96.5	Very high	67 Å²	67	40.4 Å²	40.4	44%	0.435	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	128.5	-178.8	-32.8	39.1	0	0	0	112.7	L178 Y179	P153-L178 HydrophobicContact CG-CD2 4.28Å; P153-Y179 WeakPolarHBondContact CB-O 3.36Å
154	G	95.1	Very high	96.5	Very high	39 Å²	39	44.8 Å²	44.8	40%	0.402	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	-17.1	-174.2	0	0	0	0	0	115.2	F152 L178	F152-G154 PolarHBondContact O-N 3.29Å; G154-L178 PolarHBondContact N-O 3.39Å
155	A	97.8	Very high	96.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.			trans	-59.1	144.4	175.8	0	0	0	0	0	111.7	F152 V157 K177 L178 S219	F152-A155 WeakPolarHBondContact O-CB 3.26Å; F152-A155 PolarHBondContact O-N 2.94Å; A155-V157 HydrophobicContact CB-CG1 4.29Å; A155-K177 WeakPolarHBondContact O-CA 3.02Å; A155-L178 HydrophobicContact CB-CB 4.28Å; A155-L178 PolarHBondContact O-N 2.71Å; A155-S219 WeakPolarHBondContact CA-O 3.45Å
156	R	98.2	Very high	96	Very high	66 Å²	66	43.8 Å²	43.8	25%	0.249	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.7	170.4	-67.4	-67.4	-63.1	169.9	-5.6	108.9	G176 D198 Y217 I218 S219	R156-G176 CarbonylContact C-O 3.5Å; R156-G176 WeakPolarHBondContact CA-O 3.45Å; R156-G176 PolarHBondContact NE-O 2.99Å; R156-G176 PolarHBondContact NH1-O 3.42Å; R156-D198 IonicContact CZ-OD1 3.86Å; R156-D198 VanDerWaalsContact CZ-OD1 3.3Å; R156-D198 IonicContact CZ-OD2 2.79Å; R156-D198 IonicContact NH1-OD1 3.92Å; R156-D198 PolarHBondContact NH1-OD1 3.15Å; R156-D198 IonicContact NH2-OD1 2.85Å; R156-D198 PolarHBondContact NH2-OD1 3.17Å; R156-D198 IonicContact NH2-OD2 3.1Å; R156-D198 PolarHBondContact NH2-OD2 2.81Å; R156-Y217 CarbonylContact O-C 3.51Å; R156-Y217 VanDerWaalsContact O-CA 3.27Å; R156-Y217 WeakPolarHBondContact O-CA 3.33Å; R156-I218 PolarHBondContact O-N 3Å; R156-S219 VanDerWaalsContact CB-OG 3.3Å; R156-S219 WeakPolarHBondContact CB-OG 3.34Å; R156-S219 WeakPolarHBondContact CG-OG 3.05Å; R156-S219 PolarHBondContact N-O 3.1Å; R156-S219 PolarHBondContact O-N 3.22Å
157	V	98	Very high	95.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	159.2	-166.1	-57.6	0	0	0	0	112.9	L151 A155 R175 G176 L178 V195 W197 L215 K216	L151-V157 HydrophobicContact CD2-CB 4.49Å; L151-V157 HydrophobicContact CD2-CG1 3.41Å; L151-V157 VanDerWaalsContact CD2-CG1 3.41Å; A155-V157 HydrophobicContact CB-CG1 4.29Å; V157-R175 WeakPolarHBondContact O-CA 3.15Å; V157-G176 PolarHBondContact N-O 3.07Å; V157-G176 PolarHBondContact O-N 3.45Å; V157-L178 HydrophobicContact CG1-CB 4.33Å; V157-V195 HydrophobicContact CG2-CG1 3.63Å; V157-V195 HydrophobicContact CG2-CG2 3.99Å; V157-W197 HydrophobicContact CG2-CH2 4.36Å; V157-W197 HydrophobicContact CG2-CZ3 4.42Å; V157-L215 HydrophobicContact CG2-CD2 4.33Å; V157-K216 CarbonylContact C-O 3.54Å; V157-K216 VanDerWaalsContact CA-O 3.22Å; V157-K216 WeakPolarHBondContact CA-O 3.39Å
158	V	97.8	Very high	95.2	Very high	23 Å²	23	49 Å²	49	14%	0.139	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	170.6	168.1	-66.2	0	0	0	0	108.7	G160 G174 R175 K216 I218	V158-G160 PolarHBondContact O-N 2.93Å; V158-G174 WeakPolarHBondContact CG1-O 3.28Å; V158-R175 HydrophobicContact CG1-CG 4.24Å; V158-K216 HydrophobicContact CG2-CB 4.14Å; V158-K216 HydrophobicContact CG2-CD 4.29Å; V158-K216 HydrophobicContact CG2-CG 4.24Å; V158-K216 PolarHBondContact N-O 3.46Å; V158-K216 PolarHBondContact O-N 3.41Å; V158-I218 HydrophobicContact CG1-CD1 3.46Å; V158-I218 VanDerWaalsContact CG1-CD1 3.46Å; V158-I218 HydrophobicContact CG1-CG1 3.92Å; V158-I218 HydrophobicContact CG2-CG1 4.48Å
159	R	96.4	Very high	94.8	Very high	61 Å²	61	48.5 Å²	48.5	23%	0.23	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	134.8	171.6	63.7	172.6	72.4	-174	0.2	112.1	W163 D166 N167 D169	R159-W163 HydrophobicContact CB-CB 3.94Å; R159-W163 HydrophobicContact CB-CD2 3.4Å; R159-W163 HydrophobicContact CB-CE3 3.43Å; R159-W163 VanDerWaalsContact CB-CE3 3.43Å; R159-W163 HydrophobicContact CB-CG 3.65Å; R159-W163 HydrophobicContact CB-CZ3 4.08Å; R159-W163 HydrophobicContact CG-CG 4.45Å; R159-D166 PolarHBondContact NH2-O 2.92Å; R159-N167 PolarHBondContact NH2-OD1 3.33Å; R159-N167 VanDerWaalsContact NH2-OD1 3.1Å; R159-D169 IonicContact CZ-OD1 3.41Å; R159-D169 IonicContact CZ-OD2 3.79Å; R159-D169 VanDerWaalsContact CZ-OD2 3.31Å; R159-D169 IonicContact NE-OD1 3.78Å; R159-D169 IonicContact NE-OD2 2.78Å; R159-D169 PolarHBondContact NE-OD2 2.96Å; R159-D169 VanDerWaalsContact NH2-CG 3.27Å; R159-D169 IonicContact NH2-OD1 3.25Å; R159-D169 PolarHBondContact NH2-OD1 3.38Å; R159-D169 IonicContact NH2-OD2 3.9Å; R159-D169 PolarHBondContact NH2-OD2 3.23Å; R159-D169 VanDerWaalsContact NH2-OD2 3.09Å
160	G	95.6	Very high	94.2	Very high	19 Å²	19	46.3 Å²	46.3	20%	0.196	26%	0.255	C	S	.	.			trans	-91.1	-167.3	178.9	0	0	0	0	0	113.2	V158 D214	V158-G160 PolarHBondContact O-N 2.93Å; G160-D214 PolarHBondContact N-O 3.29Å
161	I	93.4	Very high	93.7	Very high	106 Å²	106	46.9 Å²	46.9	54%	0.544	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-29.6	-174.4	-165.4	168.4	0	0	0	113	V52 A58 V213	V52-I161 HydrophobicContact CG1-CG2 4.1Å; V52-I161 HydrophobicContact CG2-CG2 4.33Å; A58-I161 HydrophobicContact CB-CD1 4.47Å; I161-V213 PolarHBondContact N-O 2.9Å
162	D	94.5	Very high	92.9	Very high	21 Å²	21	51 Å²	51	11%	0.112	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	15.3	-176.7	-62.5	-52.9	0	0	0	114.2	R41 Q164 R206 M212 V213 D214	R41-D162 IonicContact CZ-OD1 3.89Å; R41-D162 IonicContact CZ-OD2 3.84Å; R41-D162 IonicContact NH1-OD1 3.47Å; R41-D162 PolarHBondContact NH1-OD1 3.41Å; R41-D162 IonicContact NH1-OD2 3.05Å; R41-D162 PolarHBondContact NH1-OD2 3.39Å; R41-D162 IonicContact NH2-OD1 3.81Å; R41-D162 PolarHBondContact NH2-OD1 3.47Å; D162-Q164 PolarHBondContact O-N 3.18Å; D162-R206 PolarHBondContact O-NH2 2.99Å; D162-R206 VanDerWaalsContact O-NH2 3.09Å; D162-M212 HydrophobicContact CB-CB 4.33Å; D162-M212 HydrophobicContact CB-SD 4.22Å; D162-M212 WeakPolarHBondContact OD2-CA 2.94Å; D162-V213 PolarHBondContact N-O 3.07Å; D162-V213 PolarHBondContact OD2-N 3.06Å; D162-D214 VanDerWaalsContact O-OD1 3.05Å
163	W	94.7	Very high	92.2	Very high	37 Å²	37	51.7 Å²	51.7	14%	0.14	31%	0.313	C	S	.	.			trans	-60.2	123.3	-175.7	-176.4	-87.9	0	0	0	112.8	R159 W165 D166 Q168 D169 W197 Y205 L215	R159-W163 HydrophobicContact CB-CB 3.94Å; R159-W163 HydrophobicContact CB-CD2 3.4Å; R159-W163 HydrophobicContact CB-CE3 3.43Å; R159-W163 VanDerWaalsContact CB-CE3 3.43Å; R159-W163 HydrophobicContact CB-CG 3.65Å; R159-W163 HydrophobicContact CB-CZ3 4.08Å; R159-W163 HydrophobicContact CG-CG 4.45Å; W163-W165 HydrophobicContact CD2-CB 4.32Å; W163-W165 AromaticContact CD2-CD1 3.88Å; W163-W165 AromaticContact CE3-CD1 3.75Å; W163-W165 HydrophobicContact CH2-CB 4.18Å; W163-W165 HydrophobicContact CZ2-CB 3.75Å; W163-D166 PolarHBondContact NE1-O 3.45Å; W163-Q168 HydrophobicContact CZ2-CB 4.44Å; W163-D169 HydrophobicContact CH2-CB 3.87Å; W163-D169 HydrophobicContact CZ2-CB 3.96Å; W163-W197 HydrophobicContact CH2-CH2 4.16Å; W163-W197 AromaticContact CH2-CZ2 3.55Å; W163-W197 HydrophobicContact CH2-CZ2 3.55Å; W163-W197 HydrophobicContact CZ3-CH2 4.06Å; W163-W197 AromaticContact CZ3-CZ2 3.66Å; W163-W197 HydrophobicContact CZ3-CZ2 3.66Å; W163-Y205 HydrophobicContact CE3-CD1 4.45Å; W163-Y205 HydrophobicContact CE3-CE1 4.46Å; W163-Y205 HydrophobicContact CH2-CD1 4.18Å; W163-Y205 AromaticContact CH2-CE1 3.45Å; W163-Y205 HydrophobicContact CH2-CE1 3.45Å; W163-Y205 VanDerWaalsContact CH2-CE1 3.45Å; W163-Y205 AromaticContact CH2-CZ 3.73Å; W163-Y205 HydrophobicContact CZ2-CE1 4.4Å; W163-Y205 AromaticContact CZ3-CD1 3.72Å; W163-Y205 HydrophobicContact CZ3-CD1 3.72Å; W163-Y205 AromaticContact CZ3-CE1 3.49Å; W163-Y205 HydrophobicContact CZ3-CE1 3.49Å; W163-Y205 VanDerWaalsContact CZ3-CE1 3.49Å; W163-Y205 HydrophobicContact CZ3-CG 4.39Å; W163-Y205 AromaticContact CZ3-CZ 3.99Å; W163-L215 HydrophobicContact CZ3-CD2 4.38Å
164	Q	91.9	Very high	92	Very high	117 Å²	117	49.2 Å²	49.2	55%	0.547	30%	0.3	S	S	.	.			trans	-133.3	20.5	179.3	62.7	-179.9	13.2	0	0	113.1	D162	D162-Q164 PolarHBondContact O-N 3.18Å
165	W	90.2	Very high	92.1	Very high	31 Å²	31	54.3 Å²	54.3	12%	0.117	31%	0.307	C	S	.	.	S	Bend	trans	-107.2	37.9	-166.8	-48	104.4	0	0	0	113.1	W163 N167 Q168 W184 Y205 D214	W163-W165 HydrophobicContact CD2-CB 4.32Å; W163-W165 AromaticContact CD2-CD1 3.88Å; W163-W165 AromaticContact CE3-CD1 3.75Å; W163-W165 HydrophobicContact CH2-CB 4.18Å; W163-W165 HydrophobicContact CZ2-CB 3.75Å; W165-N167 PolarHBondContact O-N 3.44Å; W165-Q168 VanDerWaalsContact O-CG 3.24Å; W165-Q168 WeakPolarHBondContact O-CG 3.43Å; W165-Q168 PolarHBondContact O-N 2.91Å; W165-W184 AromaticContact CH2-CH2 3.47Å; W165-W184 HydrophobicContact CH2-CH2 3.47Å; W165-W184 VanDerWaalsContact CH2-CH2 3.47Å; W165-W184 AromaticContact CH2-CZ2 3.83Å; W165-W184 HydrophobicContact CH2-CZ2 3.83Å; W165-W184 AromaticContact CZ2-CH2 3.58Å; W165-W184 HydrophobicContact CZ2-CH2 3.58Å; W165-W184 HydrophobicContact CZ2-CZ2 4.14Å; W165-Y205 HydrophobicContact CB-CE1 4.02Å; W165-Y205 AromaticContact CD1-CD1 3.51Å; W165-Y205 AromaticContact CD1-CE1 3.73Å; W165-Y205 HydrophobicContact CD2-CD1 4.41Å; W165-Y205 HydrophobicContact CD2-CE1 4.45Å; W165-Y205 AromaticContact CG-CD1 3.96Å; W165-Y205 HydrophobicContact CG-CD1 3.96Å; W165-Y205 AromaticContact CG-CE1 3.8Å; W165-Y205 HydrophobicContact CG-CE1 3.8Å; W165-Y205 AromaticContact NE1-CD1 3.71Å; W165-D214 VanDerWaalsContact NE1-CG 3.25Å; W165-D214 PolarHBondContact NE1-OD2 3.14Å
166	D	90.9	Very high	92	Very high	115 Å²	115	54.3 Å²	54.3	62%	0.615	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	-129.1	-177.5	-63.5	-48.4	0	0	0	111.9	R159 W163	R159-D166 PolarHBondContact NH2-O 2.92Å; W163-D166 PolarHBondContact NE1-O 3.45Å
167	N	91.7	Very high	92	Very high	108 Å²	108	55.2 Å²	55.2	58%	0.578	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	36.9	177.6	-69.2	-27.1	0	0	0	112	R159 W165 D169 G170	R159-N167 PolarHBondContact NH2-OD1 3.33Å; R159-N167 VanDerWaalsContact NH2-OD1 3.1Å; W165-N167 PolarHBondContact O-N 3.44Å; N167-D169 PolarHBondContact O-N 3.47Å; N167-G170 WeakPolarHBondContact O-CA 3.37Å; N167-G170 PolarHBondContact O-N 2.91Å
168	Q	86.6	Confident	91.9	Very high	66 Å²	66	55.2 Å²	55.2	31%	0.308	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-39.4	174.6	-72.9	177.2	14.8	0	0	111.4	W163 W165 G170 N199 S201 N203 Y205	W163-Q168 HydrophobicContact CZ2-CB 4.44Å; W165-Q168 VanDerWaalsContact O-CG 3.24Å; W165-Q168 WeakPolarHBondContact O-CG 3.43Å; W165-Q168 PolarHBondContact O-N 2.91Å; Q168-G170 PolarHBondContact O-N 3.3Å; Q168-G170 VanDerWaalsContact O-N 3.14Å; Q168-N199 PolarHBondContact O-ND2 3.39Å; Q168-S201 WeakPolarHBondContact O-CB 3.39Å; Q168-S201 PolarHBondContact O-OG 3.42Å; Q168-N203 PolarHBondContact OE1-ND2 3.23Å; Q168-Y205 PolarHBondContact OE1-OH 2.93Å; Q168-Y205 VanDerWaalsContact OE1-OH 3.11Å
169	D	90.2	Very high	91.7	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.016	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-2.5	174.1	63.9	-13.4	0	0	0	115.3	R159 W163 N167 G171 G174 W197 N199	R159-D169 IonicContact CZ-OD1 3.41Å; R159-D169 IonicContact CZ-OD2 3.79Å; R159-D169 VanDerWaalsContact CZ-OD2 3.31Å; R159-D169 IonicContact NE-OD1 3.78Å; R159-D169 IonicContact NE-OD2 2.78Å; R159-D169 PolarHBondContact NE-OD2 2.96Å; R159-D169 VanDerWaalsContact NH2-CG 3.27Å; R159-D169 IonicContact NH2-OD1 3.25Å; R159-D169 PolarHBondContact NH2-OD1 3.38Å; R159-D169 IonicContact NH2-OD2 3.9Å; R159-D169 PolarHBondContact NH2-OD2 3.23Å; R159-D169 VanDerWaalsContact NH2-OD2 3.09Å; W163-D169 HydrophobicContact CH2-CB 3.87Å; W163-D169 HydrophobicContact CZ2-CB 3.96Å; N167-D169 PolarHBondContact O-N 3.47Å; D169-G171 PolarHBondContact OD1-N 3.1Å; D169-G174 WeakPolarHBondContact O-CA 3.35Å; D169-W197 HydrophobicContact CB-CD2 3.6Å; D169-W197 HydrophobicContact CB-CE3 3.55Å; D169-W197 HydrophobicContact CB-CG 4.3Å; D169-W197 HydrophobicContact CB-CH2 3.86Å; D169-W197 HydrophobicContact CB-CZ2 3.87Å; D169-W197 HydrophobicContact CB-CZ3 3.7Å; D169-N199 VanDerWaalsContact C-ND2 3.35Å
170	G	86.2	Confident	91.5	Very high	54 Å²	54	61 Å²	61	56%	0.557	34%	0.339	S	S	*	.	S	Bend	trans	90.1	7.9	-174.3	0	0	0	0	0	114.4	N167 Q168 N199	N167-G170 WeakPolarHBondContact O-CA 3.37Å; N167-G170 PolarHBondContact O-N 2.91Å; Q168-G170 PolarHBondContact O-N 3.3Å; Q168-G170 VanDerWaalsContact O-N 3.14Å; G170-N199 VanDerWaalsContact CA-ND2 3.31Å; G170-N199 WeakPolarHBondContact CA-ND2 3.46Å; G170-N199 PolarHBondContact N-ND2 3.3Å; G170-N199 VanDerWaalsContact N-ND2 3.13Å
171	G	85.4	Confident	91.5	Very high	12 Å²	12	62 Å²	62	12%	0.124	34%	0.339	C	S	.	.	S	Bend	trans	109.9	170	-178.5	0	0	0	0	0	112.9	D169 G173 G174	D169-G171 PolarHBondContact OD1-N 3.1Å; G171-G173 PolarHBondContact O-N 3.38Å; G171-G174 PolarHBondContact O-N 2.92Å
172	A	82.5	Confident	91.3	Very high	88 Å²	88	59.3 Å²	59.3	73%	0.727	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	125.1	-178.8	0	0	0	0	0	111.1
173	G	83.2	Confident	91	Very high	53 Å²	53	63 Å²	63	55%	0.546	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-4.2	-173.9	0	0	0	0	0	114.6	G171 R175	G171-G173 PolarHBondContact O-N 3.38Å; G173-R175 PolarHBondContact O-N 2.93Å
174	G	91.4	Very high	90.6	Very high	15 Å²	15	63.5 Å²	63.5	16%	0.155	34%	0.343	C	S	.	.			trans	-52.4	132	167.9	0	0	0	0	0	111.3	V158 D169 G171 W197	V158-G174 WeakPolarHBondContact CG1-O 3.28Å; D169-G174 WeakPolarHBondContact O-CA 3.35Å; G171-G174 PolarHBondContact O-N 2.92Å; G174-W197 WeakPolarHBondContact O-CZ3 3.28Å
175	R	96.6	Very high	90	Very high	146 Å²	146	59 Å²	59	55%	0.551	32%	0.324	S	S	*	.			trans	-110.7	144.1	-175.4	-62.1	179.2	-180	175.9	-2	110.3	V157 V158 G173 W197 D198 I218	V157-R175 WeakPolarHBondContact O-CA 3.15Å; V158-R175 HydrophobicContact CG1-CG 4.24Å; G173-R175 PolarHBondContact O-N 2.93Å; R175-W197 VanDerWaalsContact C-CE3 3.4Å; R175-D198 WeakPolarHBondContact CB-OD2 3.47Å; R175-D198 WeakPolarHBondContact O-CB 3.14Å; R175-D198 PolarHBondContact O-N 3.43Å; R175-I218 HydrophobicContact CG-CD1 3.97Å
176	G	96.2	Very high	89.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	171.6	178.5	0	0	0	0	0	112.6	R156 V157 V196	R156-G176 CarbonylContact C-O 3.5Å; R156-G176 WeakPolarHBondContact CA-O 3.45Å; R156-G176 PolarHBondContact NE-O 2.99Å; R156-G176 PolarHBondContact NH1-O 3.42Å; V157-G176 PolarHBondContact N-O 3.07Å; V157-G176 PolarHBondContact O-N 3.45Å; G176-V196 CarbonylContact C-O 3.59Å; G176-V196 VanDerWaalsContact CA-O 3.25Å; G176-V196 WeakPolarHBondContact CA-O 3.25Å
177	K	97.8	Very high	88.5	Confident	85 Å²	85	63.1 Å²	63.1	37%	0.37	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.9	172.6	-171.8	176.9	-179.4	-178.7	0	109	A155 Y179 V195 V196	A155-K177 WeakPolarHBondContact O-CA 3.02Å; K177-Y179 HydrophobicContact CB-CD2 4.38Å; K177-Y179 HydrophobicContact CB-CE2 4.09Å; K177-Y179 HydrophobicContact CD-CE2 4.11Å; K177-Y179 HydrophobicContact CG-CD2 4.45Å; K177-Y179 HydrophobicContact CG-CE2 4.25Å; K177-Y179 WeakPolarHBondContact O-CD2 3.19Å; K177-Y179 PolarHBondContact O-N 3.25Å; K177-V195 WeakPolarHBondContact O-CA 3.44Å; K177-V196 PolarHBondContact N-O 3.21Å; K177-V196 PolarHBondContact O-N 3.39Å
178	L	97.1	Very high	88.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	122.2	171.3	-163	160.9	0	0	0	108.5	L151 P153 G154 A155 V157 D180 I181 A193	L151-L178 HydrophobicContact CB-CD1 4Å; L151-L178 HydrophobicContact CD2-CD1 4.25Å; P153-L178 HydrophobicContact CG-CD2 4.28Å; G154-L178 PolarHBondContact N-O 3.39Å; A155-L178 HydrophobicContact CB-CB 4.28Å; A155-L178 PolarHBondContact O-N 2.71Å; V157-L178 HydrophobicContact CG1-CB 4.33Å; L178-D180 WeakPolarHBondContact CD2-O 3.44Å; L178-I181 HydrophobicContact CD1-CD1 3.97Å; L178-I181 HydrophobicContact CD2-CD1 3.79Å; L178-I181 HydrophobicContact CD2-CG1 4.19Å; L178-I181 HydrophobicContact CG-CD1 4.44Å; L178-A193 HydrophobicContact CD1-CB 3.74Å; L178-A193 HydrophobicContact CG-CB 4.07Å
179	Y	93.1	Very high	88.4	Confident	131 Å²	131	58.2 Å²	58.2	51%	0.514	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-40	-179	-93.1	-94.8	0	0	0	112.7	P153 K177 Y194 V196	P153-Y179 WeakPolarHBondContact CB-O 3.36Å; K177-Y179 HydrophobicContact CB-CD2 4.38Å; K177-Y179 HydrophobicContact CB-CE2 4.09Å; K177-Y179 HydrophobicContact CD-CE2 4.11Å; K177-Y179 HydrophobicContact CG-CD2 4.45Å; K177-Y179 HydrophobicContact CG-CE2 4.25Å; K177-Y179 WeakPolarHBondContact O-CD2 3.19Å; K177-Y179 PolarHBondContact O-N 3.25Å; Y179-Y194 PolarHBondContact N-O 3.21Å; Y179-V196 HydrophobicContact CD2-CB 3.81Å; Y179-V196 HydrophobicContact CD2-CG2 3.44Å; Y179-V196 VanDerWaalsContact CD2-CG2 3.44Å; Y179-V196 HydrophobicContact CE2-CB 3.65Å; Y179-V196 HydrophobicContact CE2-CG1 4.46Å; Y179-V196 HydrophobicContact CE2-CG2 3.58Å; Y179-V196 HydrophobicContact CG-CG2 4.23Å
180	D	93.2	Very high	88.5	Confident	75 Å²	75	61.9 Å²	61.9	40%	0.401	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	157.3	-174.1	-164.6	21.1	0	0	0	112.2	L178 Q182 Y194	L178-D180 WeakPolarHBondContact CD2-O 3.44Å; D180-Q182 HydrophobicContact CB-CG 4.46Å; D180-Q182 PolarHBondContact OD2-NE2 3.33Å; D180-Y194 PolarHBondContact O-N 3.29Å
181	I	94.1	Very high	89	Confident	38 Å²	38	59.3 Å²	59.3	20%	0.195	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.8	174.9	-60.7	-67.6	0	0	0	107.9	L151 L178 R190 A192 A193 L207	L151-I181 WeakPolarHBondContact O-CD1 3.46Å; L178-I181 HydrophobicContact CD1-CD1 3.97Å; L178-I181 HydrophobicContact CD2-CD1 3.79Å; L178-I181 HydrophobicContact CD2-CG1 4.19Å; L178-I181 HydrophobicContact CG-CD1 4.44Å; I181-R190 HydrophobicContact CG2-CB 3.94Å; I181-R190 HydrophobicContact CG2-CG 4.32Å; I181-A192 CarbonylContact C-O 3.45Å; I181-A192 WeakPolarHBondContact CA-O 3.39Å; I181-A193 HydrophobicContact CD1-CB 3.96Å; I181-L207 HydrophobicContact CD1-CD2 3.86Å
182	Q	90.1	Very high	89.5	Confident	51 Å²	51	58.8 Å²	58.8	24%	0.238	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	172.7	-170.5	-59.8	-176.7	3.2	0	0	111	D180 R190 S191 A192 L204	D180-Q182 HydrophobicContact CB-CG 4.46Å; D180-Q182 PolarHBondContact OD2-NE2 3.33Å; Q182-R190 CarbonylContact O-C 3.56Å; Q182-R190 WeakPolarHBondContact O-CA 3.41Å; Q182-R190 PolarHBondContact O-N 3.29Å; Q182-S191 PolarHBondContact O-N 3.47Å; Q182-S191 VanDerWaalsContact O-N 3.11Å; Q182-A192 PolarHBondContact N-O 2.91Å; Q182-A192 PolarHBondContact O-N 3.29Å; Q182-L204 HydrophobicContact CB-CD1 4.09Å; Q182-L204 HydrophobicContact CG-CD1 4.49Å
183	E	88.5	Confident	90.1	Very high	97 Å²	97	54.6 Å²	54.6	45%	0.453	26%	0.257	S	S	.	.			trans	-74	137.3	164.4	53.2	-99.2	-153.8	0	0	112.2
184	W	86.6	Confident	90.7	Very high	49 Å²	49	53.5 Å²	53.5	19%	0.186	24%	0.237	C	C	.	.	S	Bend	trans	-73.2	-43	164.2	-170.4	-99	0	0	0	110.9	W165 S191 A192 L204 R206 Y209	W165-W184 AromaticContact CH2-CH2 3.47Å; W165-W184 HydrophobicContact CH2-CH2 3.47Å; W165-W184 VanDerWaalsContact CH2-CH2 3.47Å; W165-W184 AromaticContact CH2-CZ2 3.83Å; W165-W184 HydrophobicContact CH2-CZ2 3.83Å; W165-W184 AromaticContact CZ2-CH2 3.58Å; W165-W184 HydrophobicContact CZ2-CH2 3.58Å; W165-W184 HydrophobicContact CZ2-CZ2 4.14Å; W184-S191 VanDerWaalsContact CB-OG 3.23Å; W184-S191 WeakPolarHBondContact CB-OG 3.28Å; W184-S191 PolarHBondContact N-OG 2.97Å; W184-A192 HydrophobicContact CB-CB 4.06Å; W184-A192 HydrophobicContact CE3-CB 3.8Å; W184-L204 HydrophobicContact CE3-CD2 4.29Å; W184-L204 HydrophobicContact CE3-CG 4.4Å; W184-L204 HydrophobicContact CZ3-CG 4.36Å; W184-R206 HydrophobicContact CD2-CG 3.7Å; W184-R206 HydrophobicContact CE3-CB 4.44Å; W184-R206 HydrophobicContact CE3-CG 3.64Å; W184-R206 HydrophobicContact CG-CG 4.5Å; W184-R206 HydrophobicContact CH2-CG 3.68Å; W184-R206 HydrophobicContact CZ2-CG 3.7Å; W184-R206 HydrophobicContact CZ3-CG 3.65Å; W184-Y209 HydrophobicContact CB-CD2 3.71Å; W184-Y209 HydrophobicContact CB-CE2 4.43Å; W184-Y209 HydrophobicContact CB-CG 3.82Å; W184-Y209 AromaticContact CD1-CD1 3.42Å; W184-Y209 VanDerWaalsContact CD1-CD1 3.42Å; W184-Y209 AromaticContact CD1-CD2 3.52Å; W184-Y209 AromaticContact CD1-CE1 3.52Å; W184-Y209 AromaticContact CD1-CE2 3.59Å; W184-Y209 AromaticContact CD1-CG 3.42Å; W184-Y209 VanDerWaalsContact CD1-CG 3.42Å; W184-Y209 AromaticContact CD1-CZ 3.61Å; W184-Y209 AromaticContact CG-CD1 3.99Å; W184-Y209 HydrophobicContact CG-CD1 3.99Å; W184-Y209 AromaticContact CG-CD2 3.85Å; W184-Y209 HydrophobicContact CG-CD2 3.85Å; W184-Y209 HydrophobicContact CG-CE1 4.48Å; W184-Y209 HydrophobicContact CG-CE2 4.34Å; W184-Y209 AromaticContact CG-CG 3.65Å; W184-Y209 HydrophobicContact CG-CG 3.65Å; W184-Y209 AromaticContact NE1-CD1 3.72Å; W184-Y209 AromaticContact NE1-CE1 3.7Å
185	S	78.1	Confident	90.9	Very high	21 Å²	21	52.8 Å²	52.8	15%	0.147	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-145.6	158.2	173.5	-177.4	0	0	0	0	109.8	D187 F188 Q584	S185-D187 VanDerWaalsContact C-N 3.29Å; S185-D187 PolarHBondContact O-N 3.31Å; S185-D187 VanDerWaalsContact O-N 3.14Å; S185-F188 CarbonylContact O-C 3.54Å; S185-F188 PolarHBondContact O-N 3.25Å; S185-Q584 PolarHBondContact OG-OE1 2.65Å
186	R	71.6	Confident	90.8	Very high	155 Å²	155	47.4 Å²	47.4	59%	0.585	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-39.9	-167.4	-175	-179.3	179	-158.5	-1.8	114.5	F188 N619	R186-F188 VanDerWaalsContact C-N 3.29Å; R186-F188 PolarHBondContact O-N 3.41Å; R186-N619 VanDerWaalsContact CD-OD1 3.3Å; R186-N619 WeakPolarHBondContact CD-OD1 3.33Å; R186-N619 PolarHBondContact NH1-ND2 3.45Å; R186-N619 VanDerWaalsContact NH1-ND2 3.13Å; R186-N619 PolarHBondContact NH1-OD1 3.38Å
187	D	77.7	Confident	90.7	Very high	78 Å²	78	47.6 Å²	47.6	42%	0.417	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-7	-178.8	-77	-58.6	0	0	0	113.8	G78 K80 S185 P189	G78-D187 WeakPolarHBondContact CA-O 3.46Å; K80-D187 IonicContact NZ-OD1 2.68Å; K80-D187 PolarHBondContact NZ-OD1 3.36Å; S185-D187 VanDerWaalsContact C-N 3.29Å; S185-D187 PolarHBondContact O-N 3.31Å; S185-D187 VanDerWaalsContact O-N 3.14Å; D187-P189 WeakPolarHBondContact O-CD 3.48Å
188	F	86.4	Confident	90.5	Very high	59 Å²	59	48.3 Å²	48.3	26%	0.259	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-123.8	73.5	-174.6	-56.3	-84.2	0	0	0	110.4	P76 S185 R186 S191 Y209	P76-F188 WeakPolarHBondContact O-CD1 3.42Å; S185-F188 CarbonylContact O-C 3.54Å; S185-F188 PolarHBondContact O-N 3.25Å; R186-F188 VanDerWaalsContact C-N 3.29Å; R186-F188 PolarHBondContact O-N 3.41Å; F188-S191 VanDerWaalsContact O-CB 3.24Å; F188-S191 WeakPolarHBondContact O-CB 3.36Å; F188-S191 PolarHBondContact O-OG 2.95Å; F188-Y209 HydrophobicContact CB-CD2 4Å; F188-Y209 HydrophobicContact CB-CE2 4.34Å; F188-Y209 HydrophobicContact CD2-CD2 4.16Å; F188-Y209 AromaticContact CD2-CE2 3.64Å; F188-Y209 HydrophobicContact CD2-CE2 3.64Å; F188-Y209 HydrophobicContact CE2-CE2 4.04Å; F188-Y209 HydrophobicContact CG-CD2 4.02Å; F188-Y209 AromaticContact CG-CE2 3.97Å; F188-Y209 HydrophobicContact CG-CE2 3.97Å
189	P	89.9	Confident	90.1	Very high	12 Å²	12	52 Å²	52	8%	0.078	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	153.5	-179.9	28.9	-36.7	0	0	0	112.6	G75 F94 D187 S191	G75-P189 CarbonylContact C-O 3.28Å; G75-P189 WeakPolarHBondContact O-CD 3.42Å; F94-P189 HydrophobicContact CB-CG 3.96Å; F94-P189 HydrophobicContact CD1-CG 3.44Å; F94-P189 VanDerWaalsContact CD1-CG 3.44Å; F94-P189 HydrophobicContact CD2-CG 3.72Å; F94-P189 HydrophobicContact CE1-CG 3.71Å; F94-P189 HydrophobicContact CE2-CG 3.99Å; F94-P189 HydrophobicContact CG-CG 3.44Å; F94-P189 VanDerWaalsContact CG-CG 3.44Å; F94-P189 HydrophobicContact CZ-CG 3.97Å; D187-P189 WeakPolarHBondContact O-CD 3.48Å; P189-S191 PolarHBondContact O-N 3.29Å
190	R	93.8	Very high	89.6	Confident	81 Å²	81	47 Å²	47	31%	0.306	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	28.6	177.8	-57.3	177.5	-64	-75.3	2	113.7	D73 P76 I181 Q182	D73-R190 IonicContact OD1-CZ 3.86Å; D73-R190 IonicContact OD1-NE 2.7Å; D73-R190 IonicContact OD1-NH2 2.92Å; D73-R190 PolarHBondContact OD1-NH2 3Å; D73-R190 IonicContact OD2-CZ 3.09Å; D73-R190 IonicContact OD2-NE 3.81Å; D73-R190 PolarHBondContact OD2-NE 2.97Å; D73-R190 IonicContact OD2-NH2 2.93Å; D73-R190 PolarHBondContact OD2-NH2 3.3Å; P76-R190 WeakPolarHBondContact CG-O 3.45Å; I181-R190 HydrophobicContact CG2-CB 3.94Å; I181-R190 HydrophobicContact CG2-CG 4.32Å; Q182-R190 CarbonylContact O-C 3.56Å; Q182-R190 WeakPolarHBondContact O-CA 3.41Å; Q182-R190 PolarHBondContact O-N 3.29Å
191	S	95.2	Very high	89.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.			trans	-101.8	5.8	-176	65.4	0	0	0	0	113.6	Q182 W184 F188 P189 L207 Y209	Q182-S191 PolarHBondContact O-N 3.47Å; Q182-S191 VanDerWaalsContact O-N 3.11Å; W184-S191 VanDerWaalsContact CB-OG 3.23Å; W184-S191 WeakPolarHBondContact CB-OG 3.28Å; W184-S191 PolarHBondContact N-OG 2.97Å; F188-S191 VanDerWaalsContact O-CB 3.24Å; F188-S191 WeakPolarHBondContact O-CB 3.36Å; F188-S191 PolarHBondContact O-OG 2.95Å; P189-S191 PolarHBondContact O-N 3.29Å; S191-L207 CarbonylContact C-O 3.58Å; S191-L207 VanDerWaalsContact CA-O 3.23Å; S191-L207 WeakPolarHBondContact CA-O 3.32Å; S191-L207 CarbonylContact O-C 3.51Å; S191-L207 VanDerWaalsContact O-C 3.28Å; S191-L207 PolarHBondContact O-N 3.27Å; S191-L207 VanDerWaalsContact O-O 3.11Å; S191-Y209 PolarHBondContact O-N 3.05Å
192	A	95.9	Very high	89	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	155.9	-178.8	0	0	0	0	0	112.6	I181 Q182 W184 L204 Y205	I181-A192 CarbonylContact C-O 3.45Å; I181-A192 WeakPolarHBondContact CA-O 3.39Å; Q182-A192 PolarHBondContact N-O 2.91Å; Q182-A192 PolarHBondContact O-N 3.29Å; W184-A192 HydrophobicContact CB-CB 4.06Å; W184-A192 HydrophobicContact CE3-CB 3.8Å; A192-L204 HydrophobicContact CB-CD1 3.76Å; A192-L204 HydrophobicContact CB-CD2 3.92Å; A192-L204 HydrophobicContact CB-CG 3.76Å; A192-Y205 CarbonylContact C-O 3.53Å; A192-Y205 WeakPolarHBondContact CA-O 3.12Å
193	A	96.5	Very high	89	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.3	179.5	0	0	0	0	0	111	L178 I181 Y205 L207 L215	L178-A193 HydrophobicContact CD1-CB 3.74Å; L178-A193 HydrophobicContact CG-CB 4.07Å; I181-A193 HydrophobicContact CD1-CB 3.96Å; A193-Y205 PolarHBondContact N-O 3.34Å; A193-Y205 PolarHBondContact O-N 3.05Å; A193-L207 HydrophobicContact CB-CB 4.37Å; A193-L207 HydrophobicContact CB-CD2 4.12Å; A193-L215 HydrophobicContact CB-CD1 3.65Å
194	Y	94.9	Very high	89.2	Confident	30 Å²	30	39.2 Å²	39.2	12%	0.118	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.8	176	-174.5	-102.8	0	0	0	110	Y179 D180 V196 Q202 D546	Y179-Y194 PolarHBondContact N-O 3.21Å; D180-Y194 PolarHBondContact O-N 3.29Å; Y194-V196 HydrophobicContact CE1-CG2 3.99Å; Y194-Q202 VanDerWaalsContact OH-CG 3.23Å; Y194-Q202 WeakPolarHBondContact OH-CG 3.34Å; Y194-Q202 PolarHBondContact OH-OE1 3.42Å; Y194-D546 PolarHBondContact OH-OD1 2.92Å; Y194-D546 PolarHBondContact OH-OD2 3.49Å
195	V	95.9	Very high	89.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.1	-174.2	179.6	0	0	0	0	110.3	V157 K177 W197 Q202 N203 Y205 L215	V157-V195 HydrophobicContact CG2-CG1 3.63Å; V157-V195 HydrophobicContact CG2-CG2 3.99Å; K177-V195 WeakPolarHBondContact O-CA 3.44Å; V195-W197 HydrophobicContact CB-CZ2 4.42Å; V195-W197 HydrophobicContact CG1-CD2 3.96Å; V195-W197 HydrophobicContact CG1-CE3 4.32Å; V195-W197 HydrophobicContact CG1-CG 4.45Å; V195-W197 HydrophobicContact CG1-CH2 4.25Å; V195-W197 HydrophobicContact CG1-CZ2 3.9Å; V195-W197 HydrophobicContact CG1-CZ3 4.45Å; V195-Q202 CarbonylContact O-C 3.53Å; V195-Q202 WeakPolarHBondContact O-CA 3.32Å; V195-Q202 WeakPolarHBondContact O-CB 3.45Å; V195-N203 PolarHBondContact N-O 3.14Å; V195-N203 PolarHBondContact O-N 3.4Å; V195-Y205 HydrophobicContact CB-CD2 3.92Å; V195-Y205 HydrophobicContact CB-CE2 3.9Å; V195-Y205 HydrophobicContact CG2-CD2 3.89Å; V195-Y205 HydrophobicContact CG2-CE2 4.38Å; V195-L215 HydrophobicContact CG2-CD1 3.46Å; V195-L215 VanDerWaalsContact CG2-CD1 3.46Å; V195-L215 HydrophobicContact CG2-CD2 4.09Å; V195-L215 HydrophobicContact CG2-CG 4.44Å
196	V	93.8	Very high	90.6	Very high	34 Å²	34	36.7 Å²	36.7	21%	0.206	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.9	167.1	-178	0	0	0	0	108	G176 K177 Y179 Y194 Q202	G176-V196 CarbonylContact C-O 3.59Å; G176-V196 VanDerWaalsContact CA-O 3.25Å; G176-V196 WeakPolarHBondContact CA-O 3.25Å; K177-V196 PolarHBondContact N-O 3.21Å; K177-V196 PolarHBondContact O-N 3.39Å; Y179-V196 HydrophobicContact CD2-CB 3.81Å; Y179-V196 HydrophobicContact CD2-CG2 3.44Å; Y179-V196 VanDerWaalsContact CD2-CG2 3.44Å; Y179-V196 HydrophobicContact CE2-CB 3.65Å; Y179-V196 HydrophobicContact CE2-CG1 4.46Å; Y179-V196 HydrophobicContact CE2-CG2 3.58Å; Y179-V196 HydrophobicContact CG-CG2 4.23Å; Y194-V196 HydrophobicContact CE1-CG2 3.99Å; V196-Q202 HydrophobicContact CB-CB 4.37Å; V196-Q202 HydrophobicContact CG1-CB 4.48Å; V196-Q202 HydrophobicContact CG2-CB 4.01Å
197	W	94.8	Very high	91.8	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	153.4	-179.9	-59.8	103.5	0	0	0	111.4	V157 W163 D169 G174 R175 V195 N199 G200 S201 Y205 L215	V157-W197 HydrophobicContact CG2-CH2 4.36Å; V157-W197 HydrophobicContact CG2-CZ3 4.42Å; W163-W197 HydrophobicContact CH2-CH2 4.16Å; W163-W197 AromaticContact CH2-CZ2 3.55Å; W163-W197 HydrophobicContact CH2-CZ2 3.55Å; W163-W197 HydrophobicContact CZ3-CH2 4.06Å; W163-W197 AromaticContact CZ3-CZ2 3.66Å; W163-W197 HydrophobicContact CZ3-CZ2 3.66Å; D169-W197 HydrophobicContact CB-CD2 3.6Å; D169-W197 HydrophobicContact CB-CE3 3.55Å; D169-W197 HydrophobicContact CB-CG 4.3Å; D169-W197 HydrophobicContact CB-CH2 3.86Å; D169-W197 HydrophobicContact CB-CZ2 3.87Å; D169-W197 HydrophobicContact CB-CZ3 3.7Å; G174-W197 WeakPolarHBondContact O-CZ3 3.28Å; R175-W197 VanDerWaalsContact C-CE3 3.4Å; V195-W197 HydrophobicContact CB-CZ2 4.42Å; V195-W197 HydrophobicContact CG1-CD2 3.96Å; V195-W197 HydrophobicContact CG1-CE3 4.32Å; V195-W197 HydrophobicContact CG1-CG 4.45Å; V195-W197 HydrophobicContact CG1-CH2 4.25Å; V195-W197 HydrophobicContact CG1-CZ2 3.9Å; V195-W197 HydrophobicContact CG1-CZ3 4.45Å; W197-N199 VanDerWaalsContact CB-OD1 3.27Å; W197-N199 WeakPolarHBondContact CB-OD1 3.32Å; W197-N199 PolarHBondContact O-N 3.19Å; W197-G200 WeakPolarHBondContact O-CA 3.33Å; W197-G200 PolarHBondContact O-N 3.37Å; W197-S201 WeakPolarHBondContact CB-O 3.5Å; W197-S201 WeakPolarHBondContact CB-OG 3.48Å; W197-S201 PolarHBondContact N-O 3.38Å; W197-Y205 AromaticContact CE2-CE2 3.8Å; W197-Y205 AromaticContact CE2-CZ 3.94Å; W197-Y205 HydrophobicContact CZ2-CD2 4.32Å; W197-Y205 AromaticContact CZ2-CE2 3.69Å; W197-Y205 HydrophobicContact CZ2-CE2 3.69Å; W197-Y205 AromaticContact CZ2-CZ 3.87Å; W197-Y205 AromaticContact NE1-CE2 3.36Å; W197-Y205 AromaticContact NE1-CZ 3.39Å; W197-Y205 PolarHBondContact NE1-OH 2.91Å; W197-L215 HydrophobicContact CH2-CD2 3.94Å; W197-L215 HydrophobicContact CZ2-CD2 4.05Å
198	D	93.9	Very high	92.6	Very high	99 Å²	99	25.7 Å²	25.7	53%	0.529	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.6	-177.4	-68	-5.4	0	0	0	112.5	R156 R175 G200	R156-D198 IonicContact CZ-OD1 3.86Å; R156-D198 VanDerWaalsContact CZ-OD1 3.3Å; R156-D198 IonicContact CZ-OD2 2.79Å; R156-D198 IonicContact NH1-OD1 3.92Å; R156-D198 PolarHBondContact NH1-OD1 3.15Å; R156-D198 IonicContact NH2-OD1 2.85Å; R156-D198 PolarHBondContact NH2-OD1 3.17Å; R156-D198 IonicContact NH2-OD2 3.1Å; R156-D198 PolarHBondContact NH2-OD2 2.81Å; R175-D198 WeakPolarHBondContact CB-OD2 3.47Å; R175-D198 WeakPolarHBondContact O-CB 3.14Å; R175-D198 PolarHBondContact O-N 3.43Å; D198-G200 PolarHBondContact O-N 3.24Å
199	N	88	Confident	92.9	Very high	77 Å²	77	24.3 Å²	24.3	41%	0.412	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.6	171.6	69.1	3.1	0	0	0	112.7	Q168 D169 G170 W197 S201	Q168-N199 PolarHBondContact O-ND2 3.39Å; D169-N199 VanDerWaalsContact C-ND2 3.35Å; G170-N199 VanDerWaalsContact CA-ND2 3.31Å; G170-N199 WeakPolarHBondContact CA-ND2 3.46Å; G170-N199 PolarHBondContact N-ND2 3.3Å; G170-N199 VanDerWaalsContact N-ND2 3.13Å; W197-N199 VanDerWaalsContact CB-OD1 3.27Å; W197-N199 WeakPolarHBondContact CB-OD1 3.32Å; W197-N199 PolarHBondContact O-N 3.19Å; N199-S201 PolarHBondContact ND2-OG 3.43Å; N199-S201 VanDerWaalsContact OD1-CB 3.31Å; N199-S201 WeakPolarHBondContact OD1-CB 3.47Å; N199-S201 PolarHBondContact OD1-N 3.49Å; N199-S201 PolarHBondContact OD1-OG 2.89Å
200	G	82.9	Confident	92.8	Very high	28 Å²	28	29.2 Å²	29.2	29%	0.289	15%	0.15	S	C	.	.	S	Bend	trans	92.3	-2.8	-179.4	0	0	0	0	0	114.9	W197 D198	W197-G200 WeakPolarHBondContact O-CA 3.33Å; W197-G200 PolarHBondContact O-N 3.37Å; D198-G200 PolarHBondContact O-N 3.24Å
201	S	83.9	Confident	92.7	Very high	39 Å²	39	25.3 Å²	25.3	27%	0.273	14%	0.136	S	C	.	.			trans	-70.8	158.9	166.6	70.4	0	0	0	0	110.2	Q168 W197 N199	Q168-S201 WeakPolarHBondContact O-CB 3.39Å; Q168-S201 PolarHBondContact O-OG 3.42Å; W197-S201 WeakPolarHBondContact CB-O 3.5Å; W197-S201 WeakPolarHBondContact CB-OG 3.48Å; W197-S201 PolarHBondContact N-O 3.38Å; N199-S201 PolarHBondContact ND2-OG 3.43Å; N199-S201 VanDerWaalsContact OD1-CB 3.31Å; N199-S201 WeakPolarHBondContact OD1-CB 3.47Å; N199-S201 PolarHBondContact OD1-N 3.49Å; N199-S201 PolarHBondContact OD1-OG 2.89Å
202	Q	90.4	Very high	92.7	Very high	45 Å²	45	27.5 Å²	27.5	21%	0.21	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	144.5	179.4	60.2	-163.3	-27.6	0	0	109.7	Y194 V195 V196 D546	Y194-Q202 VanDerWaalsContact OH-CG 3.23Å; Y194-Q202 WeakPolarHBondContact OH-CG 3.34Å; Y194-Q202 PolarHBondContact OH-OE1 3.42Å; V195-Q202 CarbonylContact O-C 3.53Å; V195-Q202 WeakPolarHBondContact O-CA 3.32Å; V195-Q202 WeakPolarHBondContact O-CB 3.45Å; V196-Q202 HydrophobicContact CB-CB 4.37Å; V196-Q202 HydrophobicContact CG1-CB 4.48Å; V196-Q202 HydrophobicContact CG2-CB 4.01Å; Q202-D546 VanDerWaalsContact NE2-CA 3.27Å
203	N	91.4	Very high	92.8	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.032	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	174.7	176.8	-146.7	-11	0	0	0	111.7	Q168 V195 Y205	Q168-N203 PolarHBondContact OE1-ND2 3.23Å; V195-N203 PolarHBondContact N-O 3.14Å; V195-N203 PolarHBondContact O-N 3.4Å; N203-Y205 HydrophobicContact CB-CE1 4.27Å; N203-Y205 HydrophobicContact CB-CE2 3.8Å; N203-Y205 VanDerWaalsContact CB-OH 3.31Å; N203-Y205 WeakPolarHBondContact CB-OH 3.24Å; N203-Y205 WeakPolarHBondContact O-CE2 3.41Å
204	L	92.6	Very high	92.8	Very high	7 Å²	7	27.6 Å²	27.6	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.8	172.1	-168.6	72.2	0	0	0	110.1	Q182 W184 A192	Q182-L204 HydrophobicContact CB-CD1 4.09Å; Q182-L204 HydrophobicContact CG-CD1 4.49Å; W184-L204 HydrophobicContact CE3-CD2 4.29Å; W184-L204 HydrophobicContact CE3-CG 4.4Å; W184-L204 HydrophobicContact CZ3-CG 4.36Å; A192-L204 HydrophobicContact CB-CD1 3.76Å; A192-L204 HydrophobicContact CB-CD2 3.92Å; A192-L204 HydrophobicContact CB-CG 3.76Å
205	Y	96.3	Very high	93	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.3	-176.1	-60.9	-74.6	0	0	0	111.4	W163 W165 Q168 A192 A193 V195 W197 N203 L215	W163-Y205 HydrophobicContact CE3-CD1 4.45Å; W163-Y205 HydrophobicContact CE3-CE1 4.46Å; W163-Y205 HydrophobicContact CH2-CD1 4.18Å; W163-Y205 AromaticContact CH2-CE1 3.45Å; W163-Y205 HydrophobicContact CH2-CE1 3.45Å; W163-Y205 VanDerWaalsContact CH2-CE1 3.45Å; W163-Y205 AromaticContact CH2-CZ 3.73Å; W163-Y205 HydrophobicContact CZ2-CE1 4.4Å; W163-Y205 AromaticContact CZ3-CD1 3.72Å; W163-Y205 HydrophobicContact CZ3-CD1 3.72Å; W163-Y205 AromaticContact CZ3-CE1 3.49Å; W163-Y205 HydrophobicContact CZ3-CE1 3.49Å; W163-Y205 VanDerWaalsContact CZ3-CE1 3.49Å; W163-Y205 HydrophobicContact CZ3-CG 4.39Å; W163-Y205 AromaticContact CZ3-CZ 3.99Å; W165-Y205 HydrophobicContact CB-CE1 4.02Å; W165-Y205 AromaticContact CD1-CD1 3.51Å; W165-Y205 AromaticContact CD1-CE1 3.73Å; W165-Y205 HydrophobicContact CD2-CD1 4.41Å; W165-Y205 HydrophobicContact CD2-CE1 4.45Å; W165-Y205 AromaticContact CG-CD1 3.96Å; W165-Y205 HydrophobicContact CG-CD1 3.96Å; W165-Y205 AromaticContact CG-CE1 3.8Å; W165-Y205 HydrophobicContact CG-CE1 3.8Å; W165-Y205 AromaticContact NE1-CD1 3.71Å; Q168-Y205 PolarHBondContact OE1-OH 2.93Å; Q168-Y205 VanDerWaalsContact OE1-OH 3.11Å; A192-Y205 CarbonylContact C-O 3.53Å; A192-Y205 WeakPolarHBondContact CA-O 3.12Å; A193-Y205 PolarHBondContact N-O 3.34Å; A193-Y205 PolarHBondContact O-N 3.05Å; V195-Y205 HydrophobicContact CB-CD2 3.92Å; V195-Y205 HydrophobicContact CB-CE2 3.9Å; V195-Y205 HydrophobicContact CG2-CD2 3.89Å; V195-Y205 HydrophobicContact CG2-CE2 4.38Å; W197-Y205 AromaticContact CE2-CE2 3.8Å; W197-Y205 AromaticContact CE2-CZ 3.94Å; W197-Y205 HydrophobicContact CZ2-CD2 4.32Å; W197-Y205 AromaticContact CZ2-CE2 3.69Å; W197-Y205 HydrophobicContact CZ2-CE2 3.69Å; W197-Y205 AromaticContact CZ2-CZ 3.87Å; W197-Y205 AromaticContact NE1-CE2 3.36Å; W197-Y205 AromaticContact NE1-CZ 3.39Å; W197-Y205 PolarHBondContact NE1-OH 2.91Å; N203-Y205 HydrophobicContact CB-CE1 4.27Å; N203-Y205 HydrophobicContact CB-CE2 3.8Å; N203-Y205 VanDerWaalsContact CB-OH 3.31Å; N203-Y205 WeakPolarHBondContact CB-OH 3.24Å; N203-Y205 WeakPolarHBondContact O-CE2 3.41Å; Y205-L215 HydrophobicContact CD2-CD2 4.11Å; Y205-L215 HydrophobicContact CG-CD2 4.14Å; Y205-L215 HydrophobicContact CG-CG 4.47Å
206	R	96.6	Very high	93	Very high	17 Å²	17	30.1 Å²	30.1	6%	0.064	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	135.7	-177.6	-60.3	170.2	-63.6	175.8	6.2	111	D162 W184 Y209 M212 D214	D162-R206 PolarHBondContact O-NH2 2.99Å; D162-R206 VanDerWaalsContact O-NH2 3.09Å; W184-R206 HydrophobicContact CD2-CG 3.7Å; W184-R206 HydrophobicContact CE3-CB 4.44Å; W184-R206 HydrophobicContact CE3-CG 3.64Å; W184-R206 HydrophobicContact CG-CG 4.5Å; W184-R206 HydrophobicContact CH2-CG 3.68Å; W184-R206 HydrophobicContact CZ2-CG 3.7Å; W184-R206 HydrophobicContact CZ3-CG 3.65Å; R206-Y209 HydrophobicContact CG-CD1 4.46Å; R206-M212 HydrophobicContact CB-CB 4.11Å; R206-D214 VanDerWaalsContact CB-OD2 3.25Å; R206-D214 WeakPolarHBondContact CB-OD2 3.31Å; R206-D214 WeakPolarHBondContact CG-OD2 3.33Å; R206-D214 IonicContact CZ-OD1 3.65Å; R206-D214 IonicContact CZ-OD2 2.86Å; R206-D214 PolarHBondContact N-OD2 3.36Å; R206-D214 IonicContact NE-OD1 3.41Å; R206-D214 PolarHBondContact NE-OD1 3.41Å; R206-D214 IonicContact NE-OD2 3.82Å; R206-D214 PolarHBondContact NE-OD2 3.39Å; R206-D214 IonicContact NH2-OD1 3.51Å; R206-D214 PolarHBondContact NH2-OD1 3.4Å; R206-D214 IonicContact NH2-OD2 2.72Å; R206-D214 PolarHBondContact O-N 2.84Å
207	L	96.8	Very high	93.2	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-143	83.6	174.9	-177.5	60	0	0	0	109.3	L151 I181 S191 A193 V213	L151-L207 HydrophobicContact CB-CD1 4.38Å; L151-L207 HydrophobicContact CB-CD2 3.8Å; L151-L207 HydrophobicContact CD1-CD1 3.51Å; L151-L207 HydrophobicContact CD1-CD2 4.37Å; I181-L207 HydrophobicContact CD1-CD2 3.86Å; S191-L207 CarbonylContact C-O 3.58Å; S191-L207 VanDerWaalsContact CA-O 3.23Å; S191-L207 WeakPolarHBondContact CA-O 3.32Å; S191-L207 CarbonylContact O-C 3.51Å; S191-L207 VanDerWaalsContact O-C 3.28Å; S191-L207 PolarHBondContact O-N 3.27Å; S191-L207 VanDerWaalsContact O-O 3.11Å; A193-L207 HydrophobicContact CB-CB 4.37Å; A193-L207 HydrophobicContact CB-CD2 4.12Å; L207-V213 HydrophobicContact CD1-CG1 4.32Å
208	G	94.3	Very high	93.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	98.9	-20.2	-177.5	0	0	0	0	0	114.5	G16 E210 G211 M212	G16-G208 WeakPolarHBondContact CA-O 3.5Å; G208-E210 PolarHBondContact O-N 3.24Å; G208-E210 VanDerWaalsContact O-N 3.11Å; G208-G211 PolarHBondContact O-N 3.11Å; G208-M212 PolarHBondContact N-O 3.19Å
209	Y	93	Very high	93.4	Very high	29 Å²	29	31.7 Å²	31.7	11%	0.114	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-58.2	119.5	172	-175.5	-96.5	0	0	0	110.3	W184 F188 S191 R206 G211 M212	W184-Y209 HydrophobicContact CB-CD2 3.71Å; W184-Y209 HydrophobicContact CB-CE2 4.43Å; W184-Y209 HydrophobicContact CB-CG 3.82Å; W184-Y209 AromaticContact CD1-CD1 3.42Å; W184-Y209 VanDerWaalsContact CD1-CD1 3.42Å; W184-Y209 AromaticContact CD1-CD2 3.52Å; W184-Y209 AromaticContact CD1-CE1 3.52Å; W184-Y209 AromaticContact CD1-CE2 3.59Å; W184-Y209 AromaticContact CD1-CG 3.42Å; W184-Y209 VanDerWaalsContact CD1-CG 3.42Å; W184-Y209 AromaticContact CD1-CZ 3.61Å; W184-Y209 AromaticContact CG-CD1 3.99Å; W184-Y209 HydrophobicContact CG-CD1 3.99Å; W184-Y209 AromaticContact CG-CD2 3.85Å; W184-Y209 HydrophobicContact CG-CD2 3.85Å; W184-Y209 HydrophobicContact CG-CE1 4.48Å; W184-Y209 HydrophobicContact CG-CE2 4.34Å; W184-Y209 AromaticContact CG-CG 3.65Å; W184-Y209 HydrophobicContact CG-CG 3.65Å; W184-Y209 AromaticContact NE1-CD1 3.72Å; W184-Y209 AromaticContact NE1-CE1 3.7Å; F188-Y209 HydrophobicContact CB-CD2 4Å; F188-Y209 HydrophobicContact CB-CE2 4.34Å; F188-Y209 HydrophobicContact CD2-CD2 4.16Å; F188-Y209 AromaticContact CD2-CE2 3.64Å; F188-Y209 HydrophobicContact CD2-CE2 3.64Å; F188-Y209 HydrophobicContact CE2-CE2 4.04Å; F188-Y209 HydrophobicContact CG-CD2 4.02Å; F188-Y209 AromaticContact CG-CE2 3.97Å; F188-Y209 HydrophobicContact CG-CE2 3.97Å; S191-Y209 PolarHBondContact O-N 3.05Å; R206-Y209 HydrophobicContact CG-CD1 4.46Å; Y209-G211 PolarHBondContact O-N 3.18Å; Y209-G211 VanDerWaalsContact O-N 3.14Å; Y209-M212 WeakPolarHBondContact O-CB 3.18Å; Y209-M212 WeakPolarHBondContact O-CG 3.49Å; Y209-M212 PolarHBondContact O-N 2.92Å
210	E	88.5	Confident	93.9	Very high	115 Å²	115	31 Å²	31	54%	0.537	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	53.3	28.4	-174.8	-63.4	178.5	165.2	0	0	114.1	G208 M212	G208-E210 PolarHBondContact O-N 3.24Å; G208-E210 VanDerWaalsContact O-N 3.11Å; E210-M212 HydrophobicContact CB-CG 4.39Å; E210-M212 PolarHBondContact O-N 3.31Å
211	G	91.6	Very high	94.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	75.6	5.8	-178.4	0	0	0	0	0	114.7	I40 G208 Y209	I40-G211 WeakPolarHBondContact O-CA 3.33Å; G208-G211 PolarHBondContact O-N 3.11Å; Y209-G211 PolarHBondContact O-N 3.18Å; Y209-G211 VanDerWaalsContact O-N 3.14Å
212	M	95.2	Very high	95.1	Very high	46 Å²	46	36.8 Å²	36.8	23%	0.227	18%	0.177	C	C	.	.			trans	-83	142.2	-176	-56.7	-68.9	170.3	0	0	111.9	D162 R206 G208 Y209 E210	D162-M212 HydrophobicContact CB-CB 4.33Å; D162-M212 HydrophobicContact CB-SD 4.22Å; D162-M212 WeakPolarHBondContact OD2-CA 2.94Å; R206-M212 HydrophobicContact CB-CB 4.11Å; G208-M212 PolarHBondContact N-O 3.19Å; Y209-M212 WeakPolarHBondContact O-CB 3.18Å; Y209-M212 WeakPolarHBondContact O-CG 3.49Å; Y209-M212 PolarHBondContact O-N 2.92Å; E210-M212 HydrophobicContact CB-CG 4.39Å; E210-M212 PolarHBondContact O-N 3.31Å
213	V	96.9	Very high	95.2	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-132	92.1	179.6	-175	0	0	0	0	109.6	T39 V52 I161 D162 L207 L215	T39-V213 HydrophobicContact CG2-CG2 3.91Å; T39-V213 WeakPolarHBondContact OG1-CG2 3.19Å; V52-V213 HydrophobicContact CB-CB 4.44Å; V52-V213 HydrophobicContact CB-CG2 4.03Å; V52-V213 HydrophobicContact CG1-CB 3.99Å; V52-V213 HydrophobicContact CG1-CG1 4.1Å; V52-V213 HydrophobicContact CG1-CG2 4.09Å; I161-V213 PolarHBondContact N-O 2.9Å; D162-V213 PolarHBondContact N-O 3.07Å; D162-V213 PolarHBondContact OD2-N 3.06Å; L207-V213 HydrophobicContact CD1-CG1 4.32Å; V213-L215 VanDerWaalsContact C-N 3.26Å; V213-L215 VanDerWaalsContact CG1-O 3.22Å; V213-L215 WeakPolarHBondContact CG1-O 3.25Å; V213-L215 PolarHBondContact O-N 2.96Å
214	D	97.7	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.			trans	-79.4	-8.3	-177.4	-68.2	-21.1	0	0	0	112.9	G160 D162 W165 R206	G160-D214 PolarHBondContact N-O 3.29Å; D162-D214 VanDerWaalsContact O-OD1 3.05Å; W165-D214 VanDerWaalsContact NE1-CG 3.25Å; W165-D214 PolarHBondContact NE1-OD2 3.14Å; R206-D214 VanDerWaalsContact CB-OD2 3.25Å; R206-D214 WeakPolarHBondContact CB-OD2 3.31Å; R206-D214 WeakPolarHBondContact CG-OD2 3.33Å; R206-D214 IonicContact CZ-OD1 3.65Å; R206-D214 IonicContact CZ-OD2 2.86Å; R206-D214 PolarHBondContact N-OD2 3.36Å; R206-D214 IonicContact NE-OD1 3.41Å; R206-D214 PolarHBondContact NE-OD1 3.41Å; R206-D214 IonicContact NE-OD2 3.82Å; R206-D214 PolarHBondContact NE-OD2 3.39Å; R206-D214 IonicContact NH2-OD1 3.51Å; R206-D214 PolarHBondContact NH2-OD1 3.4Å; R206-D214 IonicContact NH2-OD2 2.72Å; R206-D214 PolarHBondContact O-N 2.84Å
215	L	97.9	Very high	95.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.5	-173.7	-60.1	174.2	0	0	0	111.9	L151 V157 W163 A193 V195 W197 Y205 V213	L151-L215 HydrophobicContact CD1-CB 4.14Å; L151-L215 HydrophobicContact CD2-CB 4.19Å; V157-L215 HydrophobicContact CG2-CD2 4.33Å; W163-L215 HydrophobicContact CZ3-CD2 4.38Å; A193-L215 HydrophobicContact CB-CD1 3.65Å; V195-L215 HydrophobicContact CG2-CD1 3.46Å; V195-L215 VanDerWaalsContact CG2-CD1 3.46Å; V195-L215 HydrophobicContact CG2-CD2 4.09Å; V195-L215 HydrophobicContact CG2-CG 4.44Å; W197-L215 HydrophobicContact CH2-CD2 3.94Å; W197-L215 HydrophobicContact CZ2-CD2 4.05Å; Y205-L215 HydrophobicContact CD2-CD2 4.11Å; Y205-L215 HydrophobicContact CG-CD2 4.14Å; Y205-L215 HydrophobicContact CG-CG 4.47Å; V213-L215 VanDerWaalsContact C-N 3.26Å; V213-L215 VanDerWaalsContact CG1-O 3.22Å; V213-L215 WeakPolarHBondContact CG1-O 3.25Å; V213-L215 PolarHBondContact O-N 2.96Å
216	K	97.1	Very high	95.6	Very high	81 Å²	81	38.4 Å²	38.4	35%	0.352	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.9	170.5	162.8	-176.3	172.7	133.6	0	108.9	N55 V157 V158	N55-K216 WeakPolarHBondContact O-CD 3.34Å; N55-K216 WeakPolarHBondContact O-CE 3.04Å; N55-K216 PolarHBondContact O-NZ 3.25Å; V157-K216 CarbonylContact C-O 3.54Å; V157-K216 VanDerWaalsContact CA-O 3.22Å; V157-K216 WeakPolarHBondContact CA-O 3.39Å; V158-K216 HydrophobicContact CG2-CB 4.14Å; V158-K216 HydrophobicContact CG2-CD 4.29Å; V158-K216 HydrophobicContact CG2-CG 4.24Å; V158-K216 PolarHBondContact N-O 3.46Å; V158-K216 PolarHBondContact O-N 3.41Å
217	Y	97.6	Very high	95.6	Very high	25 Å²	25	37.9 Å²	37.9	10%	0.098	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	144.9	173.6	75.2	-106.6	0	0	0	112.7	H36 D54 N55 R156 D220	H36-Y217 PolarHBondContact CD2-OH 3.03Å; D54-Y217 HydrophobicContact CB-CD1 3.67Å; D54-Y217 HydrophobicContact CB-CE1 3.69Å; D54-Y217 WeakPolarHBondContact O-CD1 3.29Å; D54-Y217 PolarHBondContact O-N 3.45Å; N55-Y217 HydrophobicContact CB-CE1 3.8Å; N55-Y217 HydrophobicContact CB-CE2 4.11Å; N55-Y217 WeakPolarHBondContact CB-OH 3.33Å; N55-Y217 VanDerWaalsContact N-CE1 3.28Å; R156-Y217 CarbonylContact O-C 3.51Å; R156-Y217 VanDerWaalsContact O-CA 3.27Å; R156-Y217 WeakPolarHBondContact O-CA 3.33Å; Y217-D220 HydrophobicContact CD1-CB 4.4Å; Y217-D220 HydrophobicContact CD2-CB 4.15Å; Y217-D220 HydrophobicContact CE1-CB 4.27Å; Y217-D220 HydrophobicContact CE2-CB 3.99Å; Y217-D220 HydrophobicContact CG-CB 4.36Å
218	I	96.1	Very high	95.6	Very high	92 Å²	92	40.5 Å²	40.5	47%	0.472	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-40.1	160.7	-59.8	166.1	0	0	0	109.4	R156 V158 R175	R156-I218 PolarHBondContact O-N 3Å; V158-I218 HydrophobicContact CG1-CD1 3.46Å; V158-I218 VanDerWaalsContact CG1-CD1 3.46Å; V158-I218 HydrophobicContact CG1-CG1 3.92Å; V158-I218 HydrophobicContact CG2-CG1 4.48Å; R175-I218 HydrophobicContact CG-CD1 3.97Å
219	S	97	Very high	95.5	Very high	54 Å²	54	44.3 Å²	44.3	38%	0.378	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.3	171.4	67.8	0	0	0	0	109.4	A155 R156	A155-S219 WeakPolarHBondContact CA-O 3.45Å; R156-S219 VanDerWaalsContact CB-OG 3.3Å; R156-S219 WeakPolarHBondContact CB-OG 3.34Å; R156-S219 WeakPolarHBondContact CG-OG 3.05Å; R156-S219 PolarHBondContact N-O 3.1Å; R156-S219 PolarHBondContact O-N 3.22Å
220	D	97.3	Very high	95.6	Very high	61 Å²	61	43.1 Å²	43.1	33%	0.326	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-68.8	153.2	-177.1	62.5	95.7	0	0	0	112.8	R149 Y217	R149-D220 HydrophobicContact CB-CB 4.33Å; R149-D220 WeakPolarHBondContact CD-OD1 3.39Å; Y217-D220 HydrophobicContact CD1-CB 4.4Å; Y217-D220 HydrophobicContact CD2-CB 4.15Å; Y217-D220 HydrophobicContact CE1-CB 4.27Å; Y217-D220 HydrophobicContact CE2-CB 3.99Å; Y217-D220 HydrophobicContact CG-CB 4.36Å
221	G	96.5	Very high	95.8	Very high	4 Å²	4	38 Å²	38	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	157.2	168.6	0	0	0	0	0	111.1	R149 G150	R149-G221 WeakPolarHBondContact CA-O 3.49Å; G150-G221 PolarHBondContact N-O 3.18Å; G150-G221 VanDerWaalsContact N-O 3.13Å; G150-G221 PolarHBondContact O-N 2.88Å
222	K	96.3	Very high	95.6	Very high	185 Å²	185	39.1 Å²	39.1	80%	0.804	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.8	177.4	-63.6	179.5	-177.6	176.8	0	110
223	G	92.8	Very high	95.4	Very high	24 Å²	24	38.2 Å²	38.2	25%	0.247	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	10.4	-177	0	0	0	0	0	115.6	I148 F152	I148-G223 PolarHBondContact O-N 3.48Å; F152-G223 VanDerWaalsContact CD1-CA 3.46Å
224	G	93.8	Very high	95	Very high	41 Å²	41	38.3 Å²	38.3	42%	0.423	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	94.7	-136.7	-171.9	0	0	0	0	0	111.8	A147 I148	A147-G224 WeakPolarHBondContact CA-O 3.38Å; I148-G224 PolarHBondContact N-O 3.09Å
225	S	96.9	Very high	93.8	Very high	27 Å²	27	39.7 Å²	39.7	19%	0.189	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	167	-174.9	52.9	0	0	0	0	111.7	N114 K145 I146	N114-S225 VanDerWaalsContact CB-O 3.31Å; N114-S225 WeakPolarHBondContact CB-O 3.4Å; K145-S225 WeakPolarHBondContact CE-OG 3.47Å; I146-S225 CarbonylContact O-C 3.47Å; I146-S225 WeakPolarHBondContact O-CA 3.49Å; I146-S225 VanDerWaalsContact O-CB 3.22Å; I146-S225 WeakPolarHBondContact O-CB 3.41Å
226	Y	97.3	Very high	92.4	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	159.3	179.4	66.7	-77	0	0	0	111.9	V20 L72 K145 I146 I148 R228 L231	V20-Y226 HydrophobicContact CG2-CE2 4.09Å; L72-Y226 HydrophobicContact CD1-CD1 4.09Å; L72-Y226 HydrophobicContact CD1-CD2 4.31Å; L72-Y226 HydrophobicContact CD1-CG 3.87Å; K145-Y226 CarbonylContact C-O 3.52Å; K145-Y226 VanDerWaalsContact CA-O 3.3Å; K145-Y226 WeakPolarHBondContact CA-O 3.46Å; I146-Y226 HydrophobicContact CB-CD1 4.21Å; I146-Y226 HydrophobicContact CB-CE1 3.68Å; I146-Y226 HydrophobicContact CB-CE2 4.35Å; I146-Y226 HydrophobicContact CG2-CE1 3.66Å; I146-Y226 PolarHBondContact N-O 3.13Å; I146-Y226 WeakPolarHBondContact O-CD1 3.2Å; I146-Y226 PolarHBondContact O-N 3.16Å; I148-Y226 HydrophobicContact CD1-CD1 4.08Å; I148-Y226 HydrophobicContact CG1-CD1 3.41Å; I148-Y226 VanDerWaalsContact CG1-CD1 3.41Å; I148-Y226 HydrophobicContact CG1-CE1 3.96Å; I148-Y226 HydrophobicContact CG1-CG 4.42Å; Y226-R228 HydrophobicContact CD2-CB 4.48Å; Y226-R228 HydrophobicContact CE2-CB 4Å; Y226-R228 HydrophobicContact CE2-CG 4.27Å; Y226-R228 PolarHBondContact O-N 3.01Å; Y226-L231 HydrophobicContact CD2-CD1 3.34Å; Y226-L231 HydrophobicContact CD2-CD2 4.46Å; Y226-L231 HydrophobicContact CD2-CG 3.84Å; Y226-L231 HydrophobicContact CE2-CD1 3.57Å; Y226-L231 HydrophobicContact CE2-CG 4.37Å; Y226-L231 HydrophobicContact CG-CD1 4.23Å
227	Y	97.4	Very high	90.3	Very high	6 Å²	6	43.1 Å²	43.1	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	104.6	171.9	-65.9	-79.2	0	0	0	110.3	Y113 N114 D116 R140 K145 D229 H230	Y113-Y227 HydrophobicContact CD1-CD2 4.19Å; Y113-Y227 AromaticContact CE1-CD2 3.8Å; Y113-Y227 HydrophobicContact CE1-CD2 3.8Å; N114-Y227 PolarHBondContact OD1-N 3.08Å; D116-Y227 PolarHBondContact OD1-OH 2.94Å; R140-Y227 HydrophobicContact CB-CD1 4.42Å; R140-Y227 HydrophobicContact CB-CE1 3.79Å; R140-Y227 HydrophobicContact CB-CE2 4.03Å; R140-Y227 HydrophobicContact CG-CD1 4.27Å; R140-Y227 HydrophobicContact CG-CD2 3.81Å; R140-Y227 HydrophobicContact CG-CE1 4Å; R140-Y227 HydrophobicContact CG-CE2 3.52Å; R140-Y227 HydrophobicContact CG-CG 4.15Å; R140-Y227 VanDerWaalsContact O-CE1 3.3Å; R140-Y227 WeakPolarHBondContact O-CE1 3.4Å; K145-Y227 HydrophobicContact CB-CD1 4.23Å; K145-Y227 HydrophobicContact CB-CE1 4.14Å; K145-Y227 HydrophobicContact CD-CE1 4.07Å; K145-Y227 HydrophobicContact CD-CE2 4.5Å; K145-Y227 HydrophobicContact CG-CE1 4.36Å; Y227-D229 PolarHBondContact O-N 3.03Å; Y227-H230 WeakPolarHBondContact CB-ND1 3.31Å; Y227-H230 AromaticContact CG-ND1 3.95Å; Y227-H230 WeakPolarHBondContact O-CB 3.43Å; Y227-H230 PolarHBondContact O-N 3.1Å; Y227-H230 VanDerWaalsContact O-N 3.07Å
228	R	95.5	Very high	88	Confident	57 Å²	57	45.1 Å²	45.1	22%	0.215	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-54.7	-51.9	-166.9	-178.9	-168.4	66.3	-173	-1.7	113.3	E34 R70 K144 I146 Y226 H230 L231	E34-R228 VanDerWaalsContact OE1-CD 3.25Å; E34-R228 WeakPolarHBondContact OE1-CD 3.24Å; E34-R228 IonicContact OE1-NH1 3.11Å; E34-R228 PolarHBondContact OE1-NH1 3.5Å; E34-R228 VanDerWaalsContact OE1-NH1 3.11Å; R70-R228 WeakPolarHBondContact CD-O 3.31Å; R70-R228 PolarHBondContact NE-O 3.27Å; K144-R228 PolarHBondContact O-N 3.45Å; K144-R228 VanDerWaalsContact O-N 3.11Å; I146-R228 HydrophobicContact CG1-CB 3.84Å; I146-R228 HydrophobicContact CG1-CG 4.45Å; Y226-R228 HydrophobicContact CD2-CB 4.48Å; Y226-R228 HydrophobicContact CE2-CB 4Å; Y226-R228 HydrophobicContact CE2-CG 4.27Å; Y226-R228 PolarHBondContact O-N 3.01Å; R228-H230 PolarHBondContact O-N 3.27Å; R228-L231 PolarHBondContact O-N 2.95Å
229	D	92.7	Very high	85.2	Confident	79 Å²	79	42.6 Å²	42.6	42%	0.422	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-80.1	-3.5	-172.7	-55.5	-38.8	0	0	0	111.9	R70 Y227	R70-D229 IonicContact NH2-OD1 3.82Å; Y227-D229 PolarHBondContact O-N 3.03Å
230	H	94.4	Very high	82.1	Confident	5 Å²	5	41 Å²	41	2%	0.023	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-92.3	-13	174.8	-59.6	-171.2	0	0	0	112.3	W98 Y113 R126 M137 E138 S143 Y227 R228	W98-H230 HydrophobicContact CH2-CB 3.98Å; W98-H230 WeakPolarHBondContact CH2-O 3.48Å; W98-H230 HydrophobicContact CZ3-CB 4.25Å; Y113-H230 HydrophobicContact CE1-CB 4.46Å; Y113-H230 AromaticContact CE1-ND1 3.82Å; Y113-H230 AromaticContact CZ-ND1 3.68Å; Y113-H230 PolarHBondContact OH-CE1 3.23Å; Y113-H230 PolarHBondContact OH-ND1 3.16Å; R126-H230 WeakPolarHBondContact CD-O 3.48Å; R126-H230 PolarHBondContact NH1-O 2.81Å; M137-H230 HydrophobicContact CG-CB 4.4Å; M137-H230 HydrophobicContact SD-CB 4.13Å; E138-H230 PolarHBondContact O-CE1 3.32Å; E138-H230 PolarHBondContact O-NE2 3.15Å; S143-H230 VanDerWaalsContact CB-NE2 3.3Å; S143-H230 WeakPolarHBondContact CB-NE2 3.5Å; S143-H230 PolarHBondContact OG-CE1 2.83Å; S143-H230 PolarHBondContact OG-NE2 3.19Å; Y227-H230 WeakPolarHBondContact CB-ND1 3.31Å; Y227-H230 AromaticContact CG-ND1 3.95Å; Y227-H230 WeakPolarHBondContact O-CB 3.43Å; Y227-H230 PolarHBondContact O-N 3.1Å; Y227-H230 VanDerWaalsContact O-N 3.07Å; R228-H230 PolarHBondContact O-N 3.27Å
231	L	93.4	Very high	78.9	Confident	8 Å²	8	40.6 Å²	40.6	4%	0.042	23%	0.233	C	C	.	.	S	Bend	trans	-74.2	152.2	175.6	-59.4	-174.1	0	0	0	111.4	V20 R70 L72 R126 Y226 R228 P233	V20-L231 HydrophobicContact CG2-CD1 3.93Å; R70-L231 HydrophobicContact CB-CB 3.92Å; R70-L231 HydrophobicContact CB-CD1 4.22Å; R70-L231 HydrophobicContact CG-CB 4.19Å; L72-L231 HydrophobicContact CB-CD1 4.3Å; L72-L231 HydrophobicContact CD1-CD1 3.91Å; R126-L231 PolarHBondContact NH1-O 3.07Å; Y226-L231 HydrophobicContact CD2-CD1 3.34Å; Y226-L231 HydrophobicContact CD2-CD2 4.46Å; Y226-L231 HydrophobicContact CD2-CG 3.84Å; Y226-L231 HydrophobicContact CE2-CD1 3.57Å; Y226-L231 HydrophobicContact CE2-CG 4.37Å; Y226-L231 HydrophobicContact CG-CD1 4.23Å; R228-L231 PolarHBondContact O-N 2.95Å; L231-P233 WeakPolarHBondContact O-CD 3.27Å
232	L	87.9	Confident	76.2	Confident	23 Å²	23	47.8 Å²	47.8	12%	0.12	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.7	177.7	-178.9	69.6	0	0	0	109.9	R70 V71 W129 L234	R70-L232 CarbonylContact C-O 3.51Å; R70-L232 VanDerWaalsContact CA-O 3.29Å; R70-L232 WeakPolarHBondContact CA-O 3.31Å; V71-L232 PolarHBondContact N-O 2.94Å; W129-L232 HydrophobicContact CZ3-CD2 3.87Å; L232-L234 PolarHBondContact O-N 3.38Å
233	P	90.1	Very high	74	Confident	27 Å²	27	42 Å²	42	18%	0.175	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	128.9	168.2	-17.1	30.6	0	0	0	110	Y67 L69 L231 G235 S236	Y67-P233 HydrophobicContact CG-CB 4.1Å; L69-P233 CarbonylContact O-C 3.51Å; L69-P233 WeakPolarHBondContact O-CA 3.47Å; L231-P233 WeakPolarHBondContact O-CD 3.27Å; P233-G235 PolarHBondContact O-N 2.85Å; P233-S236 WeakPolarHBondContact O-CB 3.23Å; P233-S236 PolarHBondContact O-N 3.34Å; P233-S236 PolarHBondContact O-OG 3.31Å
234	L	88.4	Confident	72.5	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.016	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	129.7	-176.7	179.8	70.5	0	0	0	110.3	I40 V49 C63 Y67 L69 V71 L232 S236	I40-L234 HydrophobicContact CD1-CD1 3.73Å; I40-L234 HydrophobicContact CD1-CD2 3.57Å; I40-L234 HydrophobicContact CD1-CG 4.31Å; I40-L234 HydrophobicContact CG1-CD2 4.42Å; V49-L234 HydrophobicContact CB-CD2 4.43Å; V49-L234 HydrophobicContact CG1-CD2 3.85Å; V49-L234 HydrophobicContact CG2-CD2 4.27Å; C63-L234 HydrophobicContact CB-CD2 4.36Å; C63-L234 HydrophobicContact CB-CG 4.29Å; Y67-L234 VanDerWaalsContact CD1-O 3.27Å; Y67-L234 WeakPolarHBondContact CD1-O 3.3Å; L69-L234 HydrophobicContact CB-CB 3.97Å; L69-L234 HydrophobicContact CB-CD2 4.13Å; L69-L234 HydrophobicContact CD1-CD2 3.78Å; L69-L234 PolarHBondContact O-N 3.39Å; V71-L234 HydrophobicContact CG2-CB 4.26Å; V71-L234 HydrophobicContact CG2-CD1 3.79Å; L232-L234 PolarHBondContact O-N 3.38Å; L234-S236 PolarHBondContact O-N 3.29Å
235	G	73.1	Confident	71.3	Confident	30 Å²	30	47.9 Å²	47.9	31%	0.309	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-5.6	-179.5	0	0	0	0	0	114.8	C63 Y67 P233 K237	C63-G235 CarbonylContact O-C 3.58Å; C63-G235 VanDerWaalsContact O-CA 3.24Å; C63-G235 WeakPolarHBondContact O-CA 3.39Å; Y67-G235 VanDerWaalsContact CE1-C 3.49Å; P233-G235 PolarHBondContact O-N 2.85Å; G235-K237 PolarHBondContact O-N 2.99Å
236	S	67.7	Low	70.5	Confident	21 Å²	21	51 Å²	51	15%	0.147	27%	0.267	C	S	.	.	S	Bend	trans	-55.1	143	165.9	62.6	0	0	0	0	109.5	P233 L234 R238	P233-S236 WeakPolarHBondContact O-CB 3.23Å; P233-S236 PolarHBondContact O-N 3.34Å; P233-S236 PolarHBondContact O-OG 3.31Å; L234-S236 PolarHBondContact O-N 3.29Å; S236-R238 PolarHBondContact O-N 3.16Å
237	K	53.2	Low	69.8	Low	132 Å²	132	53.7 Å²	53.7	57%	0.574	30%	0.295	S	S	*	.			trans	-47.7	108.7	175	-75.4	-172.8	179.9	-178	0	106.8	G235 D239 A241 H290	G235-K237 PolarHBondContact O-N 2.99Å; K237-D239 PolarHBondContact O-N 3.45Å; K237-A241 HydrophobicContact CB-CB 4.47Å; K237-A241 HydrophobicContact CD-CB 4.23Å; K237-H290 PolarHBondContact NZ-NE2 2.96Å
238	R	49.3	Very low	69	Low	67 Å²	67	54.5 Å²	54.5	25%	0.253	30%	0.299	S	S	.	.			trans	-42.6	111	179.6	-90.3	-168	-173.8	-171.2	3.8	107.1	F10 S13 D14 W129 S236 G240	F10-R238 PolarHBondContact O-NH2 3.31Å; S13-R238 PolarHBondContact OG-NH2 2.79Å; D14-R238 IonicContact OD1-NH2 2.87Å; D14-R238 IonicContact OD2-NH2 3.3Å; W129-R238 HydrophobicContact CD2-CG 4.3Å; W129-R238 HydrophobicContact CE3-CG 3.99Å; W129-R238 VanDerWaalsContact CH2-C 3.45Å; W129-R238 HydrophobicContact CH2-CB 3.27Å; W129-R238 HydrophobicContact CH2-CG 3.48Å; W129-R238 VanDerWaalsContact CH2-CG 3.48Å; W129-R238 HydrophobicContact CZ2-CB 3.26Å; W129-R238 HydrophobicContact CZ2-CG 3.74Å; W129-R238 HydrophobicContact CZ3-CB 3.94Å; W129-R238 HydrophobicContact CZ3-CG 3.57Å; S236-R238 PolarHBondContact O-N 3.16Å; R238-G240 WeakPolarHBondContact O-CA 3.48Å; R238-G240 PolarHBondContact O-N 3.28Å
239	D	37.2	Very low	68.4	Low	40 Å²	40	53.5 Å²	53.5	21%	0.214	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-37.9	100.8	179	-70.9	-46.5	0	0	0	109.1	R126 W129 G133 C135 K237	R126-D239 IonicContact CZ-OD2 2.63Å; R126-D239 IonicContact NE-OD2 3.6Å; R126-D239 PolarHBondContact NE-OD2 2.87Å; R126-D239 IonicContact NH2-OD1 3.9Å; R126-D239 IonicContact NH2-OD2 3.44Å; R126-D239 PolarHBondContact NH2-OD2 3.16Å; W129-D239 HydrophobicContact CH2-CB 4.4Å; W129-D239 WeakPolarHBondContact CZ2-O 3.31Å; G133-D239 PolarHBondContact N-O 3.28Å; C135-D239 HydrophobicContact CB-CB 3.83Å; C135-D239 VanDerWaalsContact CB-OD2 3.25Å; C135-D239 WeakPolarHBondContact CB-OD2 3.23Å; K237-D239 PolarHBondContact O-N 3.45Å
240	G	33.5	Very low	68	Low	19 Å²	19	49.7 Å²	49.7	20%	0.196	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	164.8	-34.1	-153.6	0	0	0	0	0	113.1	R238 L242 Q243	R238-G240 WeakPolarHBondContact O-CA 3.48Å; R238-G240 PolarHBondContact O-N 3.28Å; G240-L242 PolarHBondContact O-N 3.49Å; G240-Q243 WeakPolarHBondContact O-CB 3.17Å; G240-Q243 WeakPolarHBondContact O-CG 3.41Å; G240-Q243 PolarHBondContact O-N 2.86Å
241	A	30.4	Very low	67.4	Low	54 Å²	54	51.5 Å²	51.5	45%	0.446	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	10.1	175.4	0	0	0	0	0	115.1	K237	K237-A241 HydrophobicContact CB-CB 4.47Å; K237-A241 HydrophobicContact CD-CB 4.23Å
242	L	38	Very low	66.7	Low	155 Å²	155	51.6 Å²	51.6	81%	0.812	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	28.6	165.6	-80.4	164.2	0	0	0	110.8	G240 F244	G240-L242 PolarHBondContact O-N 3.49Å; L242-F244 PolarHBondContact O-N 3.31Å
243	Q	51.8	Low	66	Low	63 Å²	63	57.7 Å²	57.7	29%	0.294	32%	0.319	S	S	.	.			trans	-63.3	-24.7	-173.7	-99.8	168.1	-0.9	0	0	114.2	G133 G240 Q248	G133-Q243 VanDerWaalsContact N-NE2 3.1Å; G240-Q243 WeakPolarHBondContact O-CB 3.17Å; G240-Q243 WeakPolarHBondContact O-CG 3.41Å; G240-Q243 PolarHBondContact O-N 2.86Å; Q243-Q248 PolarHBondContact O-OE1 3.37Å
244	F	60.2	Low	64.8	Low	9 Å²	9	59.4 Å²	59.4	4%	0.039	33%	0.326	C	S	.	.			trans	-117	146.2	-171.9	-58.5	-71.1	0	0	0	111.9	L242 V250 V283 I286 V292 P306 L309 R311	L242-F244 PolarHBondContact O-N 3.31Å; F244-V250 HydrophobicContact CD1-CG1 3.51Å; F244-V250 HydrophobicContact CE1-CB 4.48Å; F244-V250 HydrophobicContact CE1-CG1 3.39Å; F244-V250 HydrophobicContact CZ-CG1 4.45Å; F244-V283 HydrophobicContact CB-CG1 4.06Å; F244-V283 HydrophobicContact CB-CG2 3.97Å; F244-V283 HydrophobicContact CD1-CG2 3.97Å; F244-V283 HydrophobicContact CG-CG2 4.19Å; F244-I286 WeakPolarHBondContact O-CD1 3.45Å; F244-V292 HydrophobicContact CB-CG1 4.16Å; F244-V292 HydrophobicContact CB-CG2 4.46Å; F244-V292 HydrophobicContact CD2-CG1 4.38Å; F244-V292 HydrophobicContact CD2-CG2 3.58Å; F244-V292 HydrophobicContact CE2-CG2 4.21Å; F244-V292 HydrophobicContact CG-CG1 4.27Å; F244-V292 HydrophobicContact CG-CG2 4.25Å; F244-P306 HydrophobicContact CE2-CB 4.26Å; F244-L309 HydrophobicContact CD2-CD1 4.47Å; F244-L309 HydrophobicContact CE1-CB 3.96Å; F244-L309 HydrophobicContact CE2-CB 3.8Å; F244-L309 HydrophobicContact CE2-CD1 4.16Å; F244-L309 HydrophobicContact CZ-CB 3.31Å; F244-L309 HydrophobicContact CZ-CD1 4.26Å; F244-L309 HydrophobicContact CZ-CG 4.44Å; F244-R311 HydrophobicContact CE1-CB 4.41Å
245	R	69.1	Low	63.8	Low	180 Å²	180	64.4 Å²	64.4	68%	0.679	35%	0.353	S	S	*	.			trans	-126.2	148.5	168.2	-63.7	-174.7	-178.4	-173.1	-0.9	108.6	G247 Q248 V283	R245-G247 PolarHBondContact O-N 3.45Å; R245-Q248 HydrophobicContact CB-CG 4.27Å; R245-Q248 WeakPolarHBondContact O-CB 3.42Å; R245-Q248 WeakPolarHBondContact O-CG 3.48Å; R245-Q248 PolarHBondContact O-N 2.78Å; R245-Q248 VanDerWaalsContact O-N 3.13Å; R245-V283 WeakPolarHBondContact O-CB 3.5Å; R245-V283 WeakPolarHBondContact O-CG1 3.46Å
246	P	80.7	Confident	64.2	Low	92 Å²	92	66.3 Å²	66.3	60%	0.597	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	133.6	169.5	-29.9	36.9	0	0	0	111.9	V283 M284	P246-V283 CarbonylContact C-O 3.54Å; P246-V283 VanDerWaalsContact CA-O 3.31Å; P246-V283 WeakPolarHBondContact CA-O 3.35Å; P246-M284 WeakPolarHBondContact CB-O 3.46Å; P246-M284 WeakPolarHBondContact CG-O 3.42Å
247	G	81.5	Confident	64.6	Low	58 Å²	58	72 Å²	72	60%	0.598	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-1.9	-178	0	0	0	0	0	115.8	R245 V283	R245-G247 PolarHBondContact O-N 3.45Å; G247-V283 PolarHBondContact N-O 2.79Å
248	Q	80.9	Confident	65.1	Low	23 Å²	23	69.6 Å²	69.6	11%	0.107	37%	0.368	C	S	.	.			trans	-81.7	136.7	177.2	-70.7	-179.4	-13	0	0	112.1	Q243 R245 T282 V283	Q243-Q248 PolarHBondContact O-OE1 3.37Å; R245-Q248 HydrophobicContact CB-CG 4.27Å; R245-Q248 WeakPolarHBondContact O-CB 3.42Å; R245-Q248 WeakPolarHBondContact O-CG 3.48Å; R245-Q248 PolarHBondContact O-N 2.78Å; R245-Q248 VanDerWaalsContact O-N 3.13Å; Q248-T282 WeakPolarHBondContact O-CA 3.45Å; Q248-V283 HydrophobicContact CB-CG2 4.34Å; Q248-V283 WeakPolarHBondContact O-CG2 3.38Å; Q248-V283 PolarHBondContact O-N 2.93Å
249	S	83.8	Confident	66	Low	35 Å²	35	66.4 Å²	66.4	25%	0.245	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	136.3	173.7	-58.1	0	0	0	0	111.5	G281 T312	S249-G281 CarbonylContact C-O 3.39Å; S249-G281 VanDerWaalsContact CA-O 3.29Å; S249-G281 WeakPolarHBondContact CA-O 3.44Å; S249-T312 VanDerWaalsContact C-OG1 3.27Å; S249-T312 WeakPolarHBondContact CB-OG1 3.41Å; S249-T312 PolarHBondContact O-N 3.16Å; S249-T312 PolarHBondContact O-OG1 3.04Å; S249-T312 VanDerWaalsContact O-OG1 3.08Å
250	V	83.4	Confident	68.2	Low	0 Å²	0	70 Å²	70	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147	-173.9	-63.7	0	0	0	0	112.1	F244 G281 V283 V294 L309 C310	F244-V250 HydrophobicContact CD1-CG1 3.51Å; F244-V250 HydrophobicContact CE1-CB 4.48Å; F244-V250 HydrophobicContact CE1-CG1 3.39Å; F244-V250 HydrophobicContact CZ-CG1 4.45Å; V250-G281 PolarHBondContact N-O 2.94Å; V250-G281 PolarHBondContact O-N 3.37Å; V250-V283 HydrophobicContact CG1-CG2 3.58Å; V250-V283 HydrophobicContact CG2-CG2 4.1Å; V250-V294 HydrophobicContact CG2-CB 4.44Å; V250-V294 HydrophobicContact CG2-CG1 3.58Å; V250-V294 HydrophobicContact CG2-CG2 3.9Å; V250-L309 HydrophobicContact CB-CD2 4.15Å; V250-L309 HydrophobicContact CG2-CD1 4.49Å; V250-L309 HydrophobicContact CG2-CD2 3.89Å; V250-C310 CarbonylContact C-O 3.38Å; V250-C310 WeakPolarHBondContact CA-O 3.37Å
251	N	82.8	Confident	70.2	Confident	42 Å²	42	72 Å²	72	23%	0.225	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	165.2	174.6	-72.3	-7.1	0	0	0	110.4	T280 C310 T312	N251-T280 WeakPolarHBondContact OD1-CA 3.37Å; N251-T280 WeakPolarHBondContact OD1-CB 3.33Å; N251-T280 WeakPolarHBondContact OD1-CG2 3.31Å; N251-T280 PolarHBondContact OD1-OG1 3.48Å; N251-C310 PolarHBondContact N-O 3.12Å; N251-C310 PolarHBondContact O-N 3.06Å; N251-T312 HydrophobicContact CB-CG2 4.04Å; N251-T312 WeakPolarHBondContact ND2-CG2 3.13Å; N251-T312 WeakPolarHBondContact OD1-CG2 3.39Å
252	V	76.9	Confident	72.1	Confident	10 Å²	10	70.5 Å²	70.5	6%	0.061	36%	0.362	C	S	.	.			trans	-114.7	117.7	169.3	178.5	0	0	0	0	108.5	V259 I276 F277 I308 L309	V252-V259 HydrophobicContact CG1-CG1 4.47Å; V252-V259 HydrophobicContact CG1-CG2 3.68Å; V252-I276 HydrophobicContact CB-CG1 4.44Å; V252-I276 HydrophobicContact CG2-CB 4.13Å; V252-I276 HydrophobicContact CG2-CD1 4.32Å; V252-I276 HydrophobicContact CG2-CG1 4.1Å; V252-F277 HydrophobicContact CB-CD1 4.39Å; V252-F277 HydrophobicContact CG1-CD1 3.86Å; V252-F277 HydrophobicContact CG1-CE1 3.81Å; V252-I308 HydrophobicContact CG2-CD1 4.15Å; V252-I308 HydrophobicContact CG2-CG1 4.48Å; V252-L309 HydrophobicContact CG2-CD2 4.04Å
253	E	73.3	Confident	74.2	Confident	152 Å²	152	63.1 Å²	63.1	71%	0.71	32%	0.323	S	S	*	.			trans	-109.6	5.6	-177.7	-63.7	-175.1	178.6	0	0	113.2
254	L	64.9	Low	75.3	Confident	63 Å²	63	62.9 Å²	62.9	33%	0.33	34%	0.337	S	S	.	.	S	Bend	trans	-88.5	156.8	179.6	-63.6	178.7	0	0	0	111.7	L258 V259 M262 F277 I308	L254-L258 HydrophobicContact CB-CD2 4.42Å; L254-L258 HydrophobicContact CD1-CD2 4.36Å; L254-L258 HydrophobicContact CD2-CD2 4.23Å; L254-V259 HydrophobicContact CB-CG2 3.52Å; L254-V259 HydrophobicContact CD1-CG2 4.41Å; L254-M262 HydrophobicContact CD1-SD 4.16Å; L254-F277 WeakPolarHBondContact O-CE1 2.89Å; L254-I308 HydrophobicContact CD1-CB 4.3Å; L254-I308 HydrophobicContact CD1-CG2 4.2Å
255	D	69	Low	76.1	Confident	107 Å²	107	69.3 Å²	69.3	57%	0.572	37%	0.372	S	S	*	.			trans	-61.5	146.1	176.3	-177.9	-90.9	0	0	0	112.6	E257 L258 V259	D255-E257 PolarHBondContact O-N 3.09Å; D255-E257 WeakPolarHBondContact OD1-CB 3.23Å; D255-E257 PolarHBondContact OD1-N 3.37Å; D255-L258 HydrophobicContact CB-CB 4.4Å; D255-L258 WeakPolarHBondContact O-CB 3.36Å; D255-L258 PolarHBondContact O-N 2.78Å; D255-L258 VanDerWaalsContact O-N 3.16Å; D255-V259 WeakPolarHBondContact O-CG2 3.33Å; D255-V259 PolarHBondContact O-N 3.17Å
256	Y	80.7	Confident	76.4	Confident	70 Å²	70	63.1 Å²	63.1	28%	0.275	35%	0.351	S	S	.	.	H	α-helix	trans	-53.4	-48.3	-177.3	172	-89.2	0	0	0	113.6	L258 V259 R260 W269 N274 F277	Y256-L258 VanDerWaalsContact C-N 3.3Å; Y256-L258 PolarHBondContact O-N 2.63Å; Y256-V259 PolarHBondContact O-N 3.48Å; Y256-R260 WeakPolarHBondContact O-CB 3.24Å; Y256-R260 PolarHBondContact O-N 2.66Å; Y256-R260 PolarHBondContact OH-NH1 3.12Å; Y256-W269 HydrophobicContact CD2-CZ2 4.24Å; Y256-W269 HydrophobicContact CE2-CH2 4.38Å; Y256-W269 AromaticContact CE2-CZ2 3.57Å; Y256-W269 HydrophobicContact CE2-CZ2 3.57Å; Y256-N274 VanDerWaalsContact CE2-OD1 3.29Å; Y256-N274 WeakPolarHBondContact CE2-OD1 3.22Å; Y256-F277 AromaticContact CD2-CE2 3.67Å; Y256-F277 HydrophobicContact CD2-CE2 3.67Å; Y256-F277 HydrophobicContact CD2-CZ 4Å; Y256-F277 HydrophobicContact CE2-CE2 4.38Å
257	E	77.3	Confident	76.5	Confident	141 Å²	141	61.7 Å²	61.7	66%	0.659	35%	0.352	S	S	*	.	H	α-helix	trans	-64.6	-39.1	-178.2	-75.4	-91.9	155.1	0	0	110.6	D255 S261	D255-E257 PolarHBondContact O-N 3.09Å; D255-E257 WeakPolarHBondContact OD1-CB 3.23Å; D255-E257 PolarHBondContact OD1-N 3.37Å; E257-S261 WeakPolarHBondContact O-CB 3.48Å; E257-S261 PolarHBondContact O-N 3.16Å
258	L	62.1	Low	76.8	Confident	81 Å²	81	60 Å²	60	42%	0.424	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-49.6	179.1	-177.9	60.4	0	0	0	110.9	L254 D255 Y256 R260 S261 M262	L254-L258 HydrophobicContact CB-CD2 4.42Å; L254-L258 HydrophobicContact CD1-CD2 4.36Å; L254-L258 HydrophobicContact CD2-CD2 4.23Å; D255-L258 HydrophobicContact CB-CB 4.4Å; D255-L258 WeakPolarHBondContact O-CB 3.36Å; D255-L258 PolarHBondContact O-N 2.78Å; D255-L258 VanDerWaalsContact O-N 3.16Å; Y256-L258 VanDerWaalsContact C-N 3.3Å; Y256-L258 PolarHBondContact O-N 2.63Å; L258-R260 PolarHBondContact O-N 3.08Å; L258-S261 PolarHBondContact O-N 3.49Å; L258-S261 VanDerWaalsContact O-N 3.16Å; L258-S261 PolarHBondContact O-OG 3.08Å; L258-M262 HydrophobicContact CD1-CG 4.36Å; L258-M262 HydrophobicContact CD1-SD 4.06Å; L258-M262 HydrophobicContact CG-SD 3.93Å; L258-M262 VanDerWaalsContact O-CG 3.3Å; L258-M262 WeakPolarHBondContact O-CG 3.41Å; L258-M262 PolarHBondContact O-N 2.99Å
259	V	68.6	Low	77.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61	-44.7	179	172.5	0	0	0	0	111.5	V252 L254 D255 Y256 S261 M262 Q263 W269 I276 F277 I308	V252-V259 HydrophobicContact CG1-CG1 4.47Å; V252-V259 HydrophobicContact CG1-CG2 3.68Å; L254-V259 HydrophobicContact CB-CG2 3.52Å; L254-V259 HydrophobicContact CD1-CG2 4.41Å; D255-V259 WeakPolarHBondContact O-CG2 3.33Å; D255-V259 PolarHBondContact O-N 3.17Å; Y256-V259 PolarHBondContact O-N 3.48Å; V259-S261 VanDerWaalsContact C-N 3.27Å; V259-S261 PolarHBondContact O-N 2.87Å; V259-M262 PolarHBondContact O-N 3.08Å; V259-Q263 PolarHBondContact O-N 3Å; V259-Q263 VanDerWaalsContact O-N 3.08Å; V259-W269 HydrophobicContact CG1-CH2 4.46Å; V259-W269 HydrophobicContact CG1-CZ3 3.79Å; V259-I276 HydrophobicContact CG1-CD1 3.98Å; V259-F277 HydrophobicContact CB-CE1 3.88Å; V259-F277 HydrophobicContact CB-CZ 3.73Å; V259-F277 HydrophobicContact CG1-CE1 4.15Å; V259-F277 HydrophobicContact CG1-CZ 3.81Å; V259-F277 HydrophobicContact CG2-CE1 3.69Å; V259-F277 HydrophobicContact CG2-CZ 4.1Å; V259-I308 HydrophobicContact CG1-CD1 3.65Å; V259-I308 HydrophobicContact CG1-CG2 4.33Å; V259-I308 HydrophobicContact CG2-CB 4.36Å; V259-I308 HydrophobicContact CG2-CG2 4.24Å
260	R	82.9	Confident	77.5	Confident	117 Å²	117	63.3 Å²	63.3	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-58.1	-40.4	176.3	-174.2	173.8	-176	173.1	4.5	111.9	Y256 L258 M262 W269	Y256-R260 WeakPolarHBondContact O-CB 3.24Å; Y256-R260 PolarHBondContact O-N 2.66Å; Y256-R260 PolarHBondContact OH-NH1 3.12Å; L258-R260 PolarHBondContact O-N 3.08Å; R260-M262 VanDerWaalsContact C-N 3.34Å; R260-W269 HydrophobicContact CB-CD2 4.13Å; R260-W269 HydrophobicContact CB-CE3 4.26Å; R260-W269 HydrophobicContact CB-CG 4.5Å; R260-W269 HydrophobicContact CG-CB 4.24Å; R260-W269 HydrophobicContact CG-CD2 3.87Å; R260-W269 HydrophobicContact CG-CE3 4.42Å; R260-W269 HydrophobicContact CG-CG 3.74Å
261	S	75.5	Confident	77.8	Confident	59 Å²	59	68.4 Å²	68.4	41%	0.413	37%	0.374	S	S	.	.	H	α-helix	trans	-69.1	-30.6	175.9	82.3	0	0	0	0	113.3	N6 E257 L258 V259	N6-S261 PolarHBondContact ND2-O 2.96Å; N6-S261 VanDerWaalsContact ND2-O 3.1Å; E257-S261 WeakPolarHBondContact O-CB 3.48Å; E257-S261 PolarHBondContact O-N 3.16Å; L258-S261 PolarHBondContact O-N 3.49Å; L258-S261 VanDerWaalsContact O-N 3.16Å; L258-S261 PolarHBondContact O-OG 3.08Å; V259-S261 VanDerWaalsContact C-N 3.27Å; V259-S261 PolarHBondContact O-N 2.87Å
262	M	71.6	Confident	78.1	Confident	24 Å²	24	73.6 Å²	73.6	12%	0.118	40%	0.395	C	S	.	.	H	α-helix	trans	-80.1	-18.3	-178.7	-71.3	-179.5	74.6	0	0	113.8	N6 L254 L258 V259 R260 H266 N305 A307 I308	N6-M262 WeakPolarHBondContact ND2-CA 3.46Å; L254-M262 HydrophobicContact CD1-SD 4.16Å; L258-M262 HydrophobicContact CD1-CG 4.36Å; L258-M262 HydrophobicContact CD1-SD 4.06Å; L258-M262 HydrophobicContact CG-SD 3.93Å; L258-M262 VanDerWaalsContact O-CG 3.3Å; L258-M262 WeakPolarHBondContact O-CG 3.41Å; L258-M262 PolarHBondContact O-N 2.99Å; V259-M262 PolarHBondContact O-N 3.08Å; R260-M262 VanDerWaalsContact C-N 3.34Å; M262-H266 PolarHBondContact O-CD2 2.88Å; M262-N305 PolarHBondContact O-ND2 3.21Å; M262-A307 HydrophobicContact CE-CB 3.6Å; M262-I308 HydrophobicContact CB-CG2 3.87Å; M262-I308 HydrophobicContact CE-CG2 4.09Å; M262-I308 HydrophobicContact SD-CG2 4.01Å
263	Q	82.1	Confident	78.9	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.8	-179.6	-83.2	-60.5	103.2	0	0	115.2	V259 N265 H266 G268 W269 M273 T303 N305	V259-Q263 PolarHBondContact O-N 3Å; V259-Q263 VanDerWaalsContact O-N 3.08Å; Q263-N265 VanDerWaalsContact C-N 3.25Å; Q263-N265 PolarHBondContact O-N 3.27Å; Q263-H266 PolarHBondContact NE2-O 3.13Å; Q263-H266 PolarHBondContact O-N 2.88Å; Q263-G268 WeakPolarHBondContact CB-O 3.44Å; Q263-G268 PolarHBondContact NE2-O 3.09Å; Q263-G268 VanDerWaalsContact NE2-O 3.11Å; Q263-G268 VanDerWaalsContact O-CA 3.31Å; Q263-G268 WeakPolarHBondContact O-CA 3.44Å; Q263-G268 PolarHBondContact O-N 2.95Å; Q263-W269 HydrophobicContact CB-CE3 4.33Å; Q263-W269 HydrophobicContact CG-CE3 4.07Å; Q263-W269 HydrophobicContact CG-CZ3 4.44Å; Q263-M273 HydrophobicContact CG-CE 4.45Å; Q263-T303 PolarHBondContact NE2-O 3.09Å; Q263-N305 VanDerWaalsContact OE1-CB 3.31Å
264	G	75	Confident	79.7	Confident	57 Å²	57	69.6 Å²	69.6	59%	0.588	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.8	-168.5	0	0	0	0	0	116.6
265	N	76.1	Confident	81	Confident	144 Å²	144	67.7 Å²	67.7	77%	0.77	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	15.6	176.3	-65.4	-29.4	0	0	0	112.8	Q263	Q263-N265 VanDerWaalsContact C-N 3.25Å; Q263-N265 PolarHBondContact O-N 3.27Å
266	H	76	Confident	82.1	Confident	51 Å²	51	62.6 Å²	62.6	24%	0.236	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	50.2	-170.4	-64.3	-82.5	0	0	0	111.4	M262 Q263 D291 N305	M262-H266 PolarHBondContact O-CD2 2.88Å; Q263-H266 PolarHBondContact NE2-O 3.13Å; Q263-H266 PolarHBondContact O-N 2.88Å; H266-D291 WeakPolarHBondContact CA-OD2 3.5Å; H266-D291 IonicContact CE1-OD1 3.5Å; H266-D291 IonicContact CG-OD1 3.23Å; H266-D291 IonicContact CG-OD2 3.06Å; H266-D291 IonicContact ND1-OD1 3.54Å; H266-D291 PolarHBondContact ND1-OD1 3.42Å; H266-D291 IonicContact ND1-OD2 2.7Å; H266-N305 HydrophobicContact CB-CB 3.69Å; H266-N305 PolarHBondContact CD2-ND2 2.89Å; H266-N305 PolarHBondContact NE2-ND2 3.34Å
267	G	82	Confident	82.6	Confident	61 Å²	61	62 Å²	62	63%	0.629	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	-10.6	-175	0	0	0	0	0	115.6
268	G	87.7	Confident	83.1	Confident	24 Å²	24	61 Å²	61	25%	0.247	34%	0.343	C	S	.	.			trans	77.4	-171.4	179.1	0	0	0	0	0	113.5	Q263	Q263-G268 WeakPolarHBondContact CB-O 3.44Å; Q263-G268 PolarHBondContact NE2-O 3.09Å; Q263-G268 VanDerWaalsContact NE2-O 3.11Å; Q263-G268 VanDerWaalsContact O-CA 3.31Å; Q263-G268 WeakPolarHBondContact O-CA 3.44Å; Q263-G268 PolarHBondContact O-N 2.95Å
269	W	89.9	Confident	84.5	Confident	51 Å²	51	58.9 Å²	58.9	19%	0.193	34%	0.335	C	S	.	.			trans	-123.9	131.1	-179	-172.9	-92.4	0	0	0	110.9	Y256 V259 R260 Q263 M273 I276 F277	Y256-W269 HydrophobicContact CD2-CZ2 4.24Å; Y256-W269 HydrophobicContact CE2-CH2 4.38Å; Y256-W269 AromaticContact CE2-CZ2 3.57Å; Y256-W269 HydrophobicContact CE2-CZ2 3.57Å; V259-W269 HydrophobicContact CG1-CH2 4.46Å; V259-W269 HydrophobicContact CG1-CZ3 3.79Å; R260-W269 HydrophobicContact CB-CD2 4.13Å; R260-W269 HydrophobicContact CB-CE3 4.26Å; R260-W269 HydrophobicContact CB-CG 4.5Å; R260-W269 HydrophobicContact CG-CB 4.24Å; R260-W269 HydrophobicContact CG-CD2 3.87Å; R260-W269 HydrophobicContact CG-CE3 4.42Å; R260-W269 HydrophobicContact CG-CG 3.74Å; Q263-W269 HydrophobicContact CB-CE3 4.33Å; Q263-W269 HydrophobicContact CG-CE3 4.07Å; Q263-W269 HydrophobicContact CG-CZ3 4.44Å; W269-M273 HydrophobicContact CD2-SD 4.49Å; W269-M273 HydrophobicContact CE3-CE 4.33Å; W269-M273 HydrophobicContact CE3-SD 4.18Å; W269-M273 HydrophobicContact CH2-CB 3.94Å; W269-M273 HydrophobicContact CZ2-CB 4.19Å; W269-M273 HydrophobicContact CZ3-CB 4.15Å; W269-M273 HydrophobicContact CZ3-CE 4.31Å; W269-M273 HydrophobicContact CZ3-SD 4.5Å; W269-I276 HydrophobicContact CH2-CD1 3.94Å; W269-I276 HydrophobicContact CZ3-CD1 3.82Å; W269-F277 AromaticContact CH2-CE2 3.49Å; W269-F277 HydrophobicContact CH2-CE2 3.49Å; W269-F277 VanDerWaalsContact CH2-CE2 3.49Å; W269-F277 AromaticContact CH2-CZ 3.87Å; W269-F277 HydrophobicContact CH2-CZ 3.87Å; W269-F277 HydrophobicContact CZ2-CE2 4.15Å; W269-F277 HydrophobicContact CZ3-CE2 4.46Å; W269-F277 HydrophobicContact CZ3-CZ 4.48Å
270	D	90.8	Very high	85.6	Confident	75 Å²	75	61.8 Å²	61.8	40%	0.401	35%	0.353	S	S	.	.			trans	-124.7	142.5	170.7	-173.4	-68	0	0	0	108.8	K272 M273 W302	D270-K272 PolarHBondContact O-N 3.41Å; D270-K272 VanDerWaalsContact O-N 3.11Å; D270-K272 VanDerWaalsContact OD1-CB 3.29Å; D270-K272 WeakPolarHBondContact OD1-CB 3.32Å; D270-K272 WeakPolarHBondContact OD1-CG 3.25Å; D270-K272 PolarHBondContact OD1-N 3.07Å; D270-M273 HydrophobicContact CB-CG 4.11Å; D270-M273 HydrophobicContact CB-SD 4.27Å; D270-M273 PolarHBondContact N-SD 2.87Å; D270-M273 WeakPolarHBondContact O-CB 3.25Å; D270-M273 WeakPolarHBondContact O-CG 3.46Å; D270-M273 PolarHBondContact O-N 3.13Å; D270-W302 HydrophobicContact CB-CH2 4.1Å; D270-W302 HydrophobicContact CB-CZ3 3.99Å
271	D	88.2	Confident	86	Confident	107 Å²	107	56.2 Å²	56.2	57%	0.572	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-62.4	-20.3	-178.2	-67.7	-29.9	0	0	0	113.1	M273 N274	D271-M273 VanDerWaalsContact C-N 3.25Å; D271-M273 PolarHBondContact O-N 3.43Å; D271-N274 PolarHBondContact O-ND2 2.87Å
272	K	89.9	Confident	86.8	Confident	151 Å²	151	56 Å²	56	66%	0.657	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-72.7	-16.3	172.1	-64.3	177.1	-178	175.7	0	113.2	D270 N274 W302	D270-K272 PolarHBondContact O-N 3.41Å; D270-K272 VanDerWaalsContact O-N 3.11Å; D270-K272 VanDerWaalsContact OD1-CB 3.29Å; D270-K272 WeakPolarHBondContact OD1-CB 3.32Å; D270-K272 WeakPolarHBondContact OD1-CG 3.25Å; D270-K272 PolarHBondContact OD1-N 3.07Å; K272-N274 PolarHBondContact O-N 3.29Å; K272-N274 VanDerWaalsContact O-N 3.13Å; K272-W302 HydrophobicContact CB-CH2 3.9Å; K272-W302 HydrophobicContact CB-CZ2 3.85Å
273	M	92.7	Very high	87.6	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.02	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-68	-5.8	175.9	-63.8	176.7	72.9	0	0	113.1	Q263 W269 D270 D271 E275 I276 W302 L304	Q263-M273 HydrophobicContact CG-CE 4.45Å; W269-M273 HydrophobicContact CD2-SD 4.49Å; W269-M273 HydrophobicContact CE3-CE 4.33Å; W269-M273 HydrophobicContact CE3-SD 4.18Å; W269-M273 HydrophobicContact CH2-CB 3.94Å; W269-M273 HydrophobicContact CZ2-CB 4.19Å; W269-M273 HydrophobicContact CZ3-CB 4.15Å; W269-M273 HydrophobicContact CZ3-CE 4.31Å; W269-M273 HydrophobicContact CZ3-SD 4.5Å; D270-M273 HydrophobicContact CB-CG 4.11Å; D270-M273 HydrophobicContact CB-SD 4.27Å; D270-M273 PolarHBondContact N-SD 2.87Å; D270-M273 WeakPolarHBondContact O-CB 3.25Å; D270-M273 WeakPolarHBondContact O-CG 3.46Å; D270-M273 PolarHBondContact O-N 3.13Å; D271-M273 VanDerWaalsContact C-N 3.25Å; D271-M273 PolarHBondContact O-N 3.43Å; M273-E275 PolarHBondContact O-N 3.38Å; M273-I276 WeakPolarHBondContact O-CB 3.4Å; M273-I276 WeakPolarHBondContact O-CG1 3.41Å; M273-I276 VanDerWaalsContact O-CG2 3.29Å; M273-I276 WeakPolarHBondContact O-CG2 3.48Å; M273-I276 PolarHBondContact O-N 3Å; M273-W302 HydrophobicContact CE-CB 4.22Å; M273-W302 HydrophobicContact CE-CD2 4.45Å; M273-W302 HydrophobicContact CE-CE3 4.33Å; M273-W302 HydrophobicContact CE-CG 4.41Å; M273-W302 HydrophobicContact CG-CD2 3.51Å; M273-W302 HydrophobicContact CG-CE3 3.39Å; M273-W302 HydrophobicContact CG-CG 4.18Å; M273-W302 HydrophobicContact CG-CH2 3.77Å; M273-W302 HydrophobicContact CG-CZ2 3.88Å; M273-W302 HydrophobicContact CG-CZ3 3.53Å; M273-W302 HydrophobicContact SD-CD2 4.41Å; M273-W302 HydrophobicContact SD-CE3 3.91Å; M273-W302 HydrophobicContact SD-CZ3 4.2Å; M273-L304 HydrophobicContact CE-CD2 3.4Å
274	N	90	Very high	88	Confident	74 Å²	74	57.8 Å²	57.8	40%	0.396	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-53.8	-22.8	175.8	-79.6	-46.2	0	0	0	113.7	Y256 D271 K272 I276 F277	Y256-N274 VanDerWaalsContact CE2-OD1 3.29Å; Y256-N274 WeakPolarHBondContact CE2-OD1 3.22Å; D271-N274 PolarHBondContact O-ND2 2.87Å; K272-N274 PolarHBondContact O-N 3.29Å; K272-N274 VanDerWaalsContact O-N 3.13Å; N274-I276 PolarHBondContact O-N 3.13Å; N274-F277 PolarHBondContact O-N 2.86Å
275	E	93.2	Very high	88.7	Confident	24 Å²	24	59.1 Å²	59.1	11%	0.112	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-62.8	-22.9	174.9	72.5	-177.9	132.9	0	0	114.1	M273 F277 T278 S279 Y296 S298 N300 W302	M273-E275 PolarHBondContact O-N 3.38Å; E275-F277 PolarHBondContact O-N 2.89Å; E275-T278 PolarHBondContact O-N 3.25Å; E275-T278 VanDerWaalsContact O-N 3.08Å; E275-T278 PolarHBondContact O-OG1 3.43Å; E275-S279 VanDerWaalsContact O-CB 3.32Å; E275-S279 WeakPolarHBondContact O-CB 3Å; E275-S279 PolarHBondContact O-N 2.93Å; E275-Y296 HydrophobicContact CG-CD1 4.4Å; E275-Y296 HydrophobicContact CG-CG 4.27Å; E275-Y296 WeakPolarHBondContact OE2-CB 3.47Å; E275-S298 VanDerWaalsContact CD-OG 3.27Å; E275-S298 PolarHBondContact OE1-OG 3.28Å; E275-S298 WeakPolarHBondContact OE2-CB 3.45Å; E275-S298 PolarHBondContact OE2-OG 2.87Å; E275-N300 WeakPolarHBondContact OE1-CB 3.39Å; E275-N300 PolarHBondContact OE1-ND2 2.96Å; E275-W302 PolarHBondContact OE1-NE1 3.25Å
276	I	92	Very high	88.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-64.4	-24	-177.4	74.9	-173.1	0	0	0	112.7	V252 V259 W269 M273 N274 Y296 W302 L304 I308	V252-I276 HydrophobicContact CB-CG1 4.44Å; V252-I276 HydrophobicContact CG2-CB 4.13Å; V252-I276 HydrophobicContact CG2-CD1 4.32Å; V252-I276 HydrophobicContact CG2-CG1 4.1Å; V259-I276 HydrophobicContact CG1-CD1 3.98Å; W269-I276 HydrophobicContact CH2-CD1 3.94Å; W269-I276 HydrophobicContact CZ3-CD1 3.82Å; M273-I276 WeakPolarHBondContact O-CB 3.4Å; M273-I276 WeakPolarHBondContact O-CG1 3.41Å; M273-I276 VanDerWaalsContact O-CG2 3.29Å; M273-I276 WeakPolarHBondContact O-CG2 3.48Å; M273-I276 PolarHBondContact O-N 3Å; N274-I276 PolarHBondContact O-N 3.13Å; I276-Y296 HydrophobicContact CB-CE1 4.2Å; I276-Y296 WeakPolarHBondContact CB-OH 3.46Å; I276-Y296 HydrophobicContact CG2-CE1 4.17Å; I276-Y296 HydrophobicContact CG2-CE2 3.71Å; I276-Y296 WeakPolarHBondContact CG2-OH 3.32Å; I276-W302 HydrophobicContact CG2-CG 4.43Å; I276-L304 HydrophobicContact CD1-CD2 4.34Å; I276-L304 HydrophobicContact CG2-CD1 4.3Å; I276-L304 HydrophobicContact CG2-CD2 4.43Å; I276-I308 HydrophobicContact CD1-CD1 4.32Å
277	F	90.6	Very high	89.1	Confident	58 Å²	58	54.9 Å²	54.9	25%	0.254	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-87.6	-16.9	178.2	-57.6	-78.7	0	0	0	113.2	V252 L254 Y256 V259 W269 N274 E275	V252-F277 HydrophobicContact CB-CD1 4.39Å; V252-F277 HydrophobicContact CG1-CD1 3.86Å; V252-F277 HydrophobicContact CG1-CE1 3.81Å; L254-F277 WeakPolarHBondContact O-CE1 2.89Å; Y256-F277 AromaticContact CD2-CE2 3.67Å; Y256-F277 HydrophobicContact CD2-CE2 3.67Å; Y256-F277 HydrophobicContact CD2-CZ 4Å; Y256-F277 HydrophobicContact CE2-CE2 4.38Å; V259-F277 HydrophobicContact CB-CE1 3.88Å; V259-F277 HydrophobicContact CB-CZ 3.73Å; V259-F277 HydrophobicContact CG1-CE1 4.15Å; V259-F277 HydrophobicContact CG1-CZ 3.81Å; V259-F277 HydrophobicContact CG2-CE1 3.69Å; V259-F277 HydrophobicContact CG2-CZ 4.1Å; W269-F277 AromaticContact CH2-CE2 3.49Å; W269-F277 HydrophobicContact CH2-CE2 3.49Å; W269-F277 VanDerWaalsContact CH2-CE2 3.49Å; W269-F277 AromaticContact CH2-CZ 3.87Å; W269-F277 HydrophobicContact CH2-CZ 3.87Å; W269-F277 HydrophobicContact CZ2-CE2 4.15Å; W269-F277 HydrophobicContact CZ3-CE2 4.46Å; W269-F277 HydrophobicContact CZ3-CZ 4.48Å; N274-F277 PolarHBondContact O-N 2.86Å; E275-F277 PolarHBondContact O-N 2.89Å
278	T	89	Confident	88.5	Confident	118 Å²	118	55.5 Å²	55.5	72%	0.724	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-18.9	-174	59.6	0	0	0	0	113.3	E275	E275-T278 PolarHBondContact O-N 3.25Å; E275-T278 VanDerWaalsContact O-N 3.08Å; E275-T278 PolarHBondContact O-OG1 3.43Å
279	S	90.4	Very high	87.8	Confident	37 Å²	37	60.8 Å²	60.8	26%	0.259	34%	0.337	S	S	.	.	S	Bend	trans	-123.9	146	-171.7	-59.9	0	0	0	0	110.8	E275 Y296	E275-S279 VanDerWaalsContact O-CB 3.32Å; E275-S279 WeakPolarHBondContact O-CB 3Å; E275-S279 PolarHBondContact O-N 2.93Å; S279-Y296 VanDerWaalsContact O-CE1 3.32Å; S279-Y296 WeakPolarHBondContact O-CE1 3.39Å
280	T	91.3	Very high	86.7	Confident	62 Å²	62	62.9 Å²	62.9	38%	0.38	35%	0.349	S	S	.	.			trans	-80.1	125.7	169.3	-59.3	0	0	0	0	110	N251 P297 T312	N251-T280 WeakPolarHBondContact OD1-CA 3.37Å; N251-T280 WeakPolarHBondContact OD1-CB 3.33Å; N251-T280 WeakPolarHBondContact OD1-CG2 3.31Å; N251-T280 PolarHBondContact OD1-OG1 3.48Å; T280-P297 WeakPolarHBondContact O-CD 3.49Å; T280-T312 HydrophobicContact CG2-CG2 4.24Å
281	G	91.8	Very high	86.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	162.6	175.6	0	0	0	0	0	112.3	S249 V250 V294 E295	S249-G281 CarbonylContact C-O 3.39Å; S249-G281 VanDerWaalsContact CA-O 3.29Å; S249-G281 WeakPolarHBondContact CA-O 3.44Å; V250-G281 PolarHBondContact N-O 2.94Å; V250-G281 PolarHBondContact O-N 3.37Å; G281-V294 VanDerWaalsContact CA-CG1 3.46Å; G281-E295 CarbonylContact C-O 3.49Å; G281-E295 WeakPolarHBondContact CA-O 3.46Å
282	T	93.2	Very high	86.2	Confident	53 Å²	53	54.5 Å²	54.5	33%	0.325	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.6	173.7	-56.3	0	0	0	0	109.6	Q248 M284 V294 E295	Q248-T282 WeakPolarHBondContact O-CA 3.45Å; T282-M284 PolarHBondContact O-N 3.21Å; T282-V294 CarbonylContact O-C 3.48Å; T282-V294 WeakPolarHBondContact O-CA 3.2Å; T282-E295 PolarHBondContact N-O 2.66Å; T282-E295 PolarHBondContact O-N 3.11Å
283	V	88.5	Confident	86.3	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	122.9	177.2	175.7	0	0	0	0	109.2	F244 R245 P246 G247 Q248 V250 V292 V294	F244-V283 HydrophobicContact CB-CG1 4.06Å; F244-V283 HydrophobicContact CB-CG2 3.97Å; F244-V283 HydrophobicContact CD1-CG2 3.97Å; F244-V283 HydrophobicContact CG-CG2 4.19Å; R245-V283 WeakPolarHBondContact O-CB 3.5Å; R245-V283 WeakPolarHBondContact O-CG1 3.46Å; P246-V283 CarbonylContact C-O 3.54Å; P246-V283 VanDerWaalsContact CA-O 3.31Å; P246-V283 WeakPolarHBondContact CA-O 3.35Å; G247-V283 PolarHBondContact N-O 2.79Å; Q248-V283 HydrophobicContact CB-CG2 4.34Å; Q248-V283 WeakPolarHBondContact O-CG2 3.38Å; Q248-V283 PolarHBondContact O-N 2.93Å; V250-V283 HydrophobicContact CG1-CG2 3.58Å; V250-V283 HydrophobicContact CG2-CG2 4.1Å; V283-V292 HydrophobicContact CB-CG1 4.25Å; V283-V292 HydrophobicContact CG1-CG1 3.65Å; V283-V292 HydrophobicContact CG2-CG1 3.8Å; V283-V294 HydrophobicContact CG2-CG2 4.47Å
284	M	89.6	Confident	86.3	Confident	62 Å²	62	48.1 Å²	48.1	31%	0.305	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-52.4	178.8	-65.8	-58.2	-70.3	0	0	111.5	P246 T282 V293 E295	P246-M284 WeakPolarHBondContact CB-O 3.46Å; P246-M284 WeakPolarHBondContact CG-O 3.42Å; T282-M284 PolarHBondContact O-N 3.21Å; M284-V293 HydrophobicContact CB-CG1 4.34Å; M284-V293 WeakPolarHBondContact CB-O 3.38Å; M284-V293 PolarHBondContact N-O 2.82Å; M284-E295 HydrophobicContact CG-CB 3.56Å; M284-E295 HydrophobicContact SD-CB 3.8Å
285	L	89	Confident	86.6	Confident	85 Å²	85	47.4 Å²	47.4	45%	0.445	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	167.8	179.9	62.3	82.8	0	0	0	110.3	D287 V293	L285-D287 HydrophobicContact CD1-CB 4.13Å; L285-V293 HydrophobicContact CD1-CB 3.92Å; L285-V293 HydrophobicContact CD1-CG2 3.49Å; L285-V293 VanDerWaalsContact CD1-CG2 3.49Å; L285-V293 HydrophobicContact CG-CB 3.99Å; L285-V293 HydrophobicContact CG-CG2 4.1Å; L285-V293 PolarHBondContact O-N 3.24Å
286	I	81.7	Confident	86.7	Confident	61 Å²	61	46.6 Å²	46.6	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.9	167.4	-60.5	168.2	0	0	0	105.7	F244 H290 D291	F244-I286 WeakPolarHBondContact O-CD1 3.45Å; I286-H290 HydrophobicContact CG2-CB 4.47Å; I286-D291 VanDerWaalsContact CA-O 3.31Å; I286-D291 WeakPolarHBondContact CA-O 3.29Å
287	D	80	Confident	86.7	Confident	45 Å²	45	51.7 Å²	51.7	24%	0.241	30%	0.301	C	S	.	.			trans	-81.5	-174.7	-177.2	71	18.5	0	0	0	112.8	L285 D289 H290 D291 T303	L285-D287 HydrophobicContact CD1-CB 4.13Å; D287-D289 VanDerWaalsContact C-N 3.29Å; D287-D289 PolarHBondContact O-N 3.32Å; D287-D289 PolarHBondContact OD1-N 2.78Å; D287-H290 PolarHBondContact O-N 3.11Å; D287-H290 PolarHBondContact OD1-N 2.94Å; D287-H290 VanDerWaalsContact OD1-N 3.13Å; D287-D291 PolarHBondContact N-O 3.32Å; D287-D291 PolarHBondContact OD1-N 3.13Å; D287-T303 WeakPolarHBondContact OD2-CG2 3.33Å
288	G	70.1	Confident	86.8	Confident	73 Å²	73	52.1 Å²	52.1	75%	0.753	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.8	-177.6	0	0	0	0	0	114.4	H290	G288-H290 VanDerWaalsContact C-N 3.28Å
289	D	72.2	Confident	86.9	Confident	135 Å²	135	49 Å²	49	72%	0.722	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	0.9	178.5	-66.2	-33.5	0	0	0	112	D287	D287-D289 VanDerWaalsContact C-N 3.29Å; D287-D289 PolarHBondContact O-N 3.32Å; D287-D289 PolarHBondContact OD1-N 2.78Å
290	H	67.2	Low	87.2	Confident	95 Å²	95	50.2 Å²	50.2	44%	0.44	31%	0.306	S	S	.	.	S	Bend	trans	71.2	24.9	-175.9	-50.4	-61.7	0	0	0	114.6	K237 I286 D287 G288 P306	K237-H290 PolarHBondContact NZ-NE2 2.96Å; I286-H290 HydrophobicContact CG2-CB 4.47Å; D287-H290 PolarHBondContact O-N 3.11Å; D287-H290 PolarHBondContact OD1-N 2.94Å; D287-H290 VanDerWaalsContact OD1-N 3.13Å; G288-H290 VanDerWaalsContact C-N 3.28Å; H290-P306 WeakPolarHBondContact O-CG 2.94Å
291	D	82.3	Confident	87.3	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.027	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-83.8	155.1	169.4	-64.4	-30.1	0	0	0	111.3	H266 I286 D287 T303	H266-D291 WeakPolarHBondContact CA-OD2 3.5Å; H266-D291 IonicContact CE1-OD1 3.5Å; H266-D291 IonicContact CG-OD1 3.23Å; H266-D291 IonicContact CG-OD2 3.06Å; H266-D291 IonicContact ND1-OD1 3.54Å; H266-D291 PolarHBondContact ND1-OD1 3.42Å; H266-D291 IonicContact ND1-OD2 2.7Å; I286-D291 VanDerWaalsContact CA-O 3.31Å; I286-D291 WeakPolarHBondContact CA-O 3.29Å; D287-D291 PolarHBondContact N-O 3.32Å; D287-D291 PolarHBondContact OD1-N 3.13Å; D291-T303 HydrophobicContact CB-CG2 3.35Å
292	V	84.5	Confident	87.5	Confident	2 Å²	2	56 Å²	56	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117	-175.2	-167.7	0	0	0	0	108.3	F244 V283 V294 L304 P306 L309	F244-V292 HydrophobicContact CB-CG1 4.16Å; F244-V292 HydrophobicContact CB-CG2 4.46Å; F244-V292 HydrophobicContact CD2-CG1 4.38Å; F244-V292 HydrophobicContact CD2-CG2 3.58Å; F244-V292 HydrophobicContact CE2-CG2 4.21Å; F244-V292 HydrophobicContact CG-CG1 4.27Å; F244-V292 HydrophobicContact CG-CG2 4.25Å; V283-V292 HydrophobicContact CB-CG1 4.25Å; V283-V292 HydrophobicContact CG1-CG1 3.65Å; V283-V292 HydrophobicContact CG2-CG1 3.8Å; V292-V294 HydrophobicContact CB-CG2 4.33Å; V292-V294 HydrophobicContact CG1-CG2 3.79Å; V292-V294 PolarHBondContact O-N 3.48Å; V292-L304 PolarHBondContact N-O 3.13Å; V292-L304 PolarHBondContact O-N 3.33Å; V292-P306 HydrophobicContact CG2-CB 3.98Å; V292-P306 HydrophobicContact CG2-CG 3.87Å; V292-L309 HydrophobicContact CB-CD1 3.54Å; V292-L309 HydrophobicContact CG1-CD1 3.71Å; V292-L309 HydrophobicContact CG2-CD1 3.83Å
293	V	93.1	Very high	87.6	Confident	21 Å²	21	55.6 Å²	55.6	13%	0.127	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117.3	172	-179.5	0	0	0	0	108.1	M284 L285 R301 W302	M284-V293 HydrophobicContact CB-CG1 4.34Å; M284-V293 WeakPolarHBondContact CB-O 3.38Å; M284-V293 PolarHBondContact N-O 2.82Å; L285-V293 HydrophobicContact CD1-CB 3.92Å; L285-V293 HydrophobicContact CD1-CG2 3.49Å; L285-V293 VanDerWaalsContact CD1-CG2 3.49Å; L285-V293 HydrophobicContact CG-CB 3.99Å; L285-V293 HydrophobicContact CG-CG2 4.1Å; L285-V293 PolarHBondContact O-N 3.24Å; V293-R301 HydrophobicContact CG1-CB 4.37Å; V293-W302 WeakPolarHBondContact CA-O 3.5Å
294	V	93.5	Very high	87.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.4	-176	-176.2	0	0	0	0	109.8	V250 G281 T282 V283 V292 Y296 R301 W302 L304 L309	V250-V294 HydrophobicContact CG2-CB 4.44Å; V250-V294 HydrophobicContact CG2-CG1 3.58Å; V250-V294 HydrophobicContact CG2-CG2 3.9Å; G281-V294 VanDerWaalsContact CA-CG1 3.46Å; T282-V294 CarbonylContact O-C 3.48Å; T282-V294 WeakPolarHBondContact O-CA 3.2Å; V283-V294 HydrophobicContact CG2-CG2 4.47Å; V292-V294 HydrophobicContact CB-CG2 4.33Å; V292-V294 HydrophobicContact CG1-CG2 3.79Å; V292-V294 PolarHBondContact O-N 3.48Å; V294-Y296 HydrophobicContact CB-CE2 3.87Å; V294-Y296 HydrophobicContact CG1-CD2 4.12Å; V294-Y296 HydrophobicContact CG1-CE2 3.5Å; V294-Y296 VanDerWaalsContact CG1-CE2 3.5Å; V294-R301 WeakPolarHBondContact O-CA 3.21Å; V294-W302 PolarHBondContact N-O 3.35Å; V294-W302 PolarHBondContact O-N 3.24Å; V294-L304 HydrophobicContact CB-CD1 4Å; V294-L304 HydrophobicContact CG2-CD1 3.93Å; V294-L309 HydrophobicContact CG2-CD1 3.79Å; V294-L309 HydrophobicContact CG2-CD2 4.3Å
295	E	96.1	Very high	87.1	Confident	59 Å²	59	53.2 Å²	53.2	28%	0.276	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.1	173.9	-176.5	169.1	-110.2	0	0	110.5	G281 T282 M284 N300 R301	G281-E295 CarbonylContact C-O 3.49Å; G281-E295 WeakPolarHBondContact CA-O 3.46Å; T282-E295 PolarHBondContact N-O 2.66Å; T282-E295 PolarHBondContact O-N 3.11Å; M284-E295 HydrophobicContact CG-CB 3.56Å; M284-E295 HydrophobicContact SD-CB 3.8Å; E295-N300 WeakPolarHBondContact CA-O 3.46Å; E295-R301 HydrophobicContact CB-CG 4.05Å; E295-R301 HydrophobicContact CG-CG 4.12Å; E295-R301 IonicContact OE1-CZ 3.25Å; E295-R301 VanDerWaalsContact OE1-CZ 3.25Å; E295-R301 IonicContact OE1-NE 2.84Å; E295-R301 PolarHBondContact OE1-NE 2.71Å; E295-R301 IonicContact OE1-NH2 2.78Å; E295-R301 PolarHBondContact OE1-NH2 3.47Å
296	Y	95.5	Very high	86.4	Confident	6 Å²	6	50.4 Å²	50.4	2%	0.024	29%	0.294	C	S	.	.			trans	-107.8	162.5	-179.4	-74.4	-94.1	0	0	0	111.4	E275 I276 S279 V294 S298 G299 N300 W302 L304	E275-Y296 HydrophobicContact CG-CD1 4.4Å; E275-Y296 HydrophobicContact CG-CG 4.27Å; E275-Y296 WeakPolarHBondContact OE2-CB 3.47Å; I276-Y296 HydrophobicContact CB-CE1 4.2Å; I276-Y296 WeakPolarHBondContact CB-OH 3.46Å; I276-Y296 HydrophobicContact CG2-CE1 4.17Å; I276-Y296 HydrophobicContact CG2-CE2 3.71Å; I276-Y296 WeakPolarHBondContact CG2-OH 3.32Å; S279-Y296 VanDerWaalsContact O-CE1 3.32Å; S279-Y296 WeakPolarHBondContact O-CE1 3.39Å; V294-Y296 HydrophobicContact CB-CE2 3.87Å; V294-Y296 HydrophobicContact CG1-CD2 4.12Å; V294-Y296 HydrophobicContact CG1-CE2 3.5Å; V294-Y296 VanDerWaalsContact CG1-CE2 3.5Å; Y296-S298 PolarHBondContact O-N 3.14Å; Y296-G299 PolarHBondContact O-N 3.27Å; Y296-N300 PolarHBondContact N-O 2.87Å; Y296-W302 AromaticContact CD2-CD1 3.58Å; Y296-W302 AromaticContact CE2-CD1 3.75Å; Y296-L304 HydrophobicContact CE2-CD1 4.16Å; Y296-L304 WeakPolarHBondContact OH-CD1 3.23Å
297	P	91.7	Very high	85.7	Confident	107 Å²	107	50.2 Å²	50.2	70%	0.695	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.4	-178.7	-27	35.6	0	0	0	115.1	T280 G299	T280-P297 WeakPolarHBondContact O-CD 3.49Å; P297-G299 PolarHBondContact O-N 3.23Å
298	S	92.5	Very high	85.5	Confident	68 Å²	68	48 Å²	48	48%	0.476	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.7	172.8	60.8	0	0	0	0	113.9	E275 Y296 N300	E275-S298 VanDerWaalsContact CD-OG 3.27Å; E275-S298 PolarHBondContact OE1-OG 3.28Å; E275-S298 WeakPolarHBondContact OE2-CB 3.45Å; E275-S298 PolarHBondContact OE2-OG 2.87Å; Y296-S298 PolarHBondContact O-N 3.14Å; S298-N300 VanDerWaalsContact C-N 3.29Å; S298-N300 WeakPolarHBondContact OG-CB 3.47Å; S298-N300 PolarHBondContact OG-N 2.68Å; S298-N300 PolarHBondContact OG-ND2 2.99Å
299	G	91.6	Very high	85.7	Confident	51 Å²	51	45 Å²	45	53%	0.526	26%	0.256	S	S	.	.	S	Bend	trans	85.6	-4.1	-168.8	0	0	0	0	0	113.8	Y296 P297	Y296-G299 PolarHBondContact O-N 3.27Å; P297-G299 PolarHBondContact O-N 3.23Å
300	N	94.8	Very high	85.3	Confident	64 Å²	64	40.9 Å²	40.9	34%	0.342	24%	0.238	S	C	.	.			trans	-72.3	148.7	174.9	-65.2	-28.7	0	0	0	110.9	E275 E295 Y296 S298 W302	E275-N300 WeakPolarHBondContact OE1-CB 3.39Å; E275-N300 PolarHBondContact OE1-ND2 2.96Å; E295-N300 WeakPolarHBondContact CA-O 3.46Å; Y296-N300 PolarHBondContact N-O 2.87Å; S298-N300 VanDerWaalsContact C-N 3.29Å; S298-N300 WeakPolarHBondContact OG-CB 3.47Å; S298-N300 PolarHBondContact OG-N 2.68Å; S298-N300 PolarHBondContact OG-ND2 2.99Å; N300-W302 HydrophobicContact CB-CZ2 4.12Å
301	R	95.4	Very high	85.4	Confident	145 Å²	145	42.6 Å²	42.6	55%	0.547	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130	175.6	-64.1	-178.3	-178.9	-179.8	-0.1	109.4	V293 V294 E295	V293-R301 HydrophobicContact CG1-CB 4.37Å; V294-R301 WeakPolarHBondContact O-CA 3.21Å; E295-R301 HydrophobicContact CB-CG 4.05Å; E295-R301 HydrophobicContact CG-CG 4.12Å; E295-R301 IonicContact OE1-CZ 3.25Å; E295-R301 VanDerWaalsContact OE1-CZ 3.25Å; E295-R301 IonicContact OE1-NE 2.84Å; E295-R301 PolarHBondContact OE1-NE 2.71Å; E295-R301 IonicContact OE1-NH2 2.78Å; E295-R301 PolarHBondContact OE1-NH2 3.47Å
302	W	95.8	Very high	84.1	Confident	39 Å²	39	44 Å²	44	15%	0.148	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.1	-178.6	-58.3	116.8	0	0	0	109.7	D270 K272 M273 E275 I276 V293 V294 Y296 N300 L304	D270-W302 HydrophobicContact CB-CH2 4.1Å; D270-W302 HydrophobicContact CB-CZ3 3.99Å; K272-W302 HydrophobicContact CB-CH2 3.9Å; K272-W302 HydrophobicContact CB-CZ2 3.85Å; M273-W302 HydrophobicContact CE-CB 4.22Å; M273-W302 HydrophobicContact CE-CD2 4.45Å; M273-W302 HydrophobicContact CE-CE3 4.33Å; M273-W302 HydrophobicContact CE-CG 4.41Å; M273-W302 HydrophobicContact CG-CD2 3.51Å; M273-W302 HydrophobicContact CG-CE3 3.39Å; M273-W302 HydrophobicContact CG-CG 4.18Å; M273-W302 HydrophobicContact CG-CH2 3.77Å; M273-W302 HydrophobicContact CG-CZ2 3.88Å; M273-W302 HydrophobicContact CG-CZ3 3.53Å; M273-W302 HydrophobicContact SD-CD2 4.41Å; M273-W302 HydrophobicContact SD-CE3 3.91Å; M273-W302 HydrophobicContact SD-CZ3 4.2Å; E275-W302 PolarHBondContact OE1-NE1 3.25Å; I276-W302 HydrophobicContact CG2-CG 4.43Å; V293-W302 WeakPolarHBondContact CA-O 3.5Å; V294-W302 PolarHBondContact N-O 3.35Å; V294-W302 PolarHBondContact O-N 3.24Å; Y296-W302 AromaticContact CD2-CD1 3.58Å; Y296-W302 AromaticContact CE2-CD1 3.75Å; N300-W302 HydrophobicContact CB-CZ2 4.12Å; W302-L304 HydrophobicContact CB-CD1 4.39Å; W302-L304 HydrophobicContact CB-CD2 3.75Å; W302-L304 HydrophobicContact CB-CG 3.97Å
303	T	93.5	Very high	82	Confident	43 Å²	43	52.1 Å²	52.1	26%	0.264	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.2	166.1	-60.7	0	0	0	0	107.4	Q263 D287 D291	Q263-T303 PolarHBondContact NE2-O 3.09Å; D287-T303 WeakPolarHBondContact OD2-CG2 3.33Å; D291-T303 HydrophobicContact CB-CG2 3.35Å
304	L	87.9	Confident	79.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139	-171.5	-60.2	179.2	0	0	0	110.2	M273 I276 V292 V294 Y296 W302 I308 L309	M273-L304 HydrophobicContact CE-CD2 3.4Å; I276-L304 HydrophobicContact CD1-CD2 4.34Å; I276-L304 HydrophobicContact CG2-CD1 4.3Å; I276-L304 HydrophobicContact CG2-CD2 4.43Å; V292-L304 PolarHBondContact N-O 3.13Å; V292-L304 PolarHBondContact O-N 3.33Å; V294-L304 HydrophobicContact CB-CD1 4Å; V294-L304 HydrophobicContact CG2-CD1 3.93Å; Y296-L304 HydrophobicContact CE2-CD1 4.16Å; Y296-L304 WeakPolarHBondContact OH-CD1 3.23Å; W302-L304 HydrophobicContact CB-CD1 4.39Å; W302-L304 HydrophobicContact CB-CD2 3.75Å; W302-L304 HydrophobicContact CB-CG 3.97Å; L304-I308 HydrophobicContact CB-CD1 4.12Å; L304-I308 HydrophobicContact CB-CG1 4.37Å; L304-I308 HydrophobicContact CD2-CD1 4.05Å; L304-I308 HydrophobicContact CG-CD1 4.45Å; L304-L309 HydrophobicContact CB-CD1 4.23Å; L304-L309 HydrophobicContact CB-CD2 4.42Å; L304-L309 HydrophobicContact CB-CG 4.34Å; L304-L309 HydrophobicContact CD1-CD2 3.72Å
305	N	79.7	Confident	76	Confident	13 Å²	13	66.2 Å²	66.2	7%	0.07	35%	0.353	C	S	.	.			trans	-55.2	124.1	169.7	-175.1	-26.9	0	0	0	109.1	M262 Q263 H266 A307 I308	M262-N305 PolarHBondContact O-ND2 3.21Å; Q263-N305 VanDerWaalsContact OE1-CB 3.31Å; H266-N305 HydrophobicContact CB-CB 3.69Å; H266-N305 PolarHBondContact CD2-ND2 2.89Å; H266-N305 PolarHBondContact NE2-ND2 3.34Å; N305-A307 PolarHBondContact O-N 3.35Å; N305-A307 VanDerWaalsContact OD1-CB 3.3Å; N305-A307 WeakPolarHBondContact OD1-CB 3.43Å; N305-A307 PolarHBondContact OD1-N 3.1Å; N305-I308 HydrophobicContact CB-CG1 4.37Å; N305-I308 HydrophobicContact CB-CG2 4.26Å; N305-I308 WeakPolarHBondContact O-CG1 3.3Å; N305-I308 PolarHBondContact O-N 3.26Å
306	P	76	Confident	72.5	Confident	26 Å²	26	70.4 Å²	70.4	17%	0.169	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-53.4	-29.4	179.5	-21.9	27.6	0	0	0	113.4	F244 H290 V292 I308 L309	F244-P306 HydrophobicContact CE2-CB 4.26Å; H290-P306 WeakPolarHBondContact O-CG 2.94Å; V292-P306 HydrophobicContact CG2-CB 3.98Å; V292-P306 HydrophobicContact CG2-CG 3.87Å; P306-I308 VanDerWaalsContact C-N 3.29Å; P306-I308 PolarHBondContact O-N 2.86Å; P306-L309 PolarHBondContact O-N 3.32Å
307	A	66	Low	69.3	Low	57 Å²	57	76.3 Å²	76.3	47%	0.471	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-71.3	-16.7	-178.4	0	0	0	0	0	114.6	M262 N305	M262-A307 HydrophobicContact CE-CB 3.6Å; N305-A307 PolarHBondContact O-N 3.35Å; N305-A307 VanDerWaalsContact OD1-CB 3.3Å; N305-A307 WeakPolarHBondContact OD1-CB 3.43Å; N305-A307 PolarHBondContact OD1-N 3.1Å
308	I	76.2	Confident	66.2	Low	0 Å²	0	77.3 Å²	77.3	0%	0	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-90.3	-10.8	176.3	69.7	157.7	0	0	0	112.7	V252 L254 V259 M262 I276 L304 N305 P306	V252-I308 HydrophobicContact CG2-CD1 4.15Å; V252-I308 HydrophobicContact CG2-CG1 4.48Å; L254-I308 HydrophobicContact CD1-CB 4.3Å; L254-I308 HydrophobicContact CD1-CG2 4.2Å; V259-I308 HydrophobicContact CG1-CD1 3.65Å; V259-I308 HydrophobicContact CG1-CG2 4.33Å; V259-I308 HydrophobicContact CG2-CB 4.36Å; V259-I308 HydrophobicContact CG2-CG2 4.24Å; M262-I308 HydrophobicContact CB-CG2 3.87Å; M262-I308 HydrophobicContact CE-CG2 4.09Å; M262-I308 HydrophobicContact SD-CG2 4.01Å; I276-I308 HydrophobicContact CD1-CD1 4.32Å; L304-I308 HydrophobicContact CB-CD1 4.12Å; L304-I308 HydrophobicContact CB-CG1 4.37Å; L304-I308 HydrophobicContact CD2-CD1 4.05Å; L304-I308 HydrophobicContact CG-CD1 4.45Å; N305-I308 HydrophobicContact CB-CG1 4.37Å; N305-I308 HydrophobicContact CB-CG2 4.26Å; N305-I308 WeakPolarHBondContact O-CG1 3.3Å; N305-I308 PolarHBondContact O-N 3.26Å; P306-I308 VanDerWaalsContact C-N 3.29Å; P306-I308 PolarHBondContact O-N 2.86Å
309	L	73.2	Confident	63	Low	9 Å²	9	77 Å²	77	5%	0.047	43%	0.43	C	S	.	.			trans	-95	138.1	-174	-67.6	177.4	0	0	0	111.9	F244 V250 V252 V292 V294 L304 P306	F244-L309 HydrophobicContact CD2-CD1 4.47Å; F244-L309 HydrophobicContact CE1-CB 3.96Å; F244-L309 HydrophobicContact CE2-CB 3.8Å; F244-L309 HydrophobicContact CE2-CD1 4.16Å; F244-L309 HydrophobicContact CZ-CB 3.31Å; F244-L309 HydrophobicContact CZ-CD1 4.26Å; F244-L309 HydrophobicContact CZ-CG 4.44Å; V250-L309 HydrophobicContact CB-CD2 4.15Å; V250-L309 HydrophobicContact CG2-CD1 4.49Å; V250-L309 HydrophobicContact CG2-CD2 3.89Å; V252-L309 HydrophobicContact CG2-CD2 4.04Å; V292-L309 HydrophobicContact CB-CD1 3.54Å; V292-L309 HydrophobicContact CG1-CD1 3.71Å; V292-L309 HydrophobicContact CG2-CD1 3.83Å; V294-L309 HydrophobicContact CG2-CD1 3.79Å; V294-L309 HydrophobicContact CG2-CD2 4.3Å; L304-L309 HydrophobicContact CB-CD1 4.23Å; L304-L309 HydrophobicContact CB-CD2 4.42Å; L304-L309 HydrophobicContact CB-CG 4.34Å; L304-L309 HydrophobicContact CD1-CD2 3.72Å; P306-L309 PolarHBondContact O-N 3.32Å
310	C	65.7	Low	60	Low	49 Å²	49	82.4 Å²	82.4	33%	0.331	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.2	172.2	-68.4	0	0	0	0	109	V250 N251 T312	V250-C310 CarbonylContact C-O 3.38Å; V250-C310 WeakPolarHBondContact CA-O 3.37Å; N251-C310 PolarHBondContact N-O 3.12Å; N251-C310 PolarHBondContact O-N 3.06Å; C310-T312 PolarHBondContact O-N 2.72Å
311	R	68.1	Low	56.9	Low	130 Å²	130	86.1 Å²	86.1	49%	0.491	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126.3	176.7	-173.4	176	176.4	-168.8	-1.9	110	F244	F244-R311 HydrophobicContact CE1-CB 4.41Å
312	T	55.7	Low	53.6	Low	35 Å²	35	83 Å²	83	22%	0.215	48%	0.477	C	S	.	.			trans	-80.4	126.5	172.9	55.2	0	0	0	0	109.9	S249 N251 T280 C310 N314	S249-T312 VanDerWaalsContact C-OG1 3.27Å; S249-T312 WeakPolarHBondContact CB-OG1 3.41Å; S249-T312 PolarHBondContact O-N 3.16Å; S249-T312 PolarHBondContact O-OG1 3.04Å; S249-T312 VanDerWaalsContact O-OG1 3.08Å; N251-T312 HydrophobicContact CB-CG2 4.04Å; N251-T312 WeakPolarHBondContact ND2-CG2 3.13Å; N251-T312 WeakPolarHBondContact OD1-CG2 3.39Å; T280-T312 HydrophobicContact CG2-CG2 4.24Å; C310-T312 PolarHBondContact O-N 2.72Å; T312-N314 PolarHBondContact O-N 2.93Å
313	F	40.7	Very low	50.4	Low	173 Å²	173	87.1 Å²	87.1	76%	0.759	51%	0.509	S	S	*	.			trans	-84.8	102	167.9	-78.6	-90.2	0	0	0	109	Q315	F313-Q315 PolarHBondContact O-N 2.81Å
314	N	32.5	Very low	47.4	Very low	131 Å²	131	93.9 Å²	93.9	70%	0.701	54%	0.539	S	S	*	.			trans	-64.9	110.1	169.3	-104.7	-11.8	0	0	0	109	T312 N316	T312-N314 PolarHBondContact O-N 2.93Å; N314-N316 PolarHBondContact O-N 3.02Å
315	Q	26.6	Very low	44.5	Very low	186 Å²	186	102 Å²	102	87%	0.869	58%	0.577	S	S	*	*			trans	-70.5	75.3	169.8	-66	-177.3	4.9	0	0	109.5	F313	F313-Q315 PolarHBondContact O-N 2.81Å
316	N	24.4	Very low	42.1	Very low	146 Å²	146	110.3 Å²	110.3	78%	0.781	62%	0.621	S	S	*	*			trans	-104.5	69.5	157.8	-83.6	-12.6	0	0	0	108.2	N314	N314-N316 PolarHBondContact O-N 3.02Å
317	V	27.9	Very low	39.9	Very low	131 Å²	131	113.5 Å²	113.5	79%	0.794	64%	0.644	S	S	*	*			trans	-127.3	99.6	155.5	-172.6	0	0	0	0	106.1	G319	V317-G319 PolarHBondContact O-N 2.86Å; V317-G319 VanDerWaalsContact O-N 3.1Å
318	S	25.2	Very low	38.1	Very low	127 Å²	127	119.3 Å²	119.3	89%	0.888	67%	0.666	S	S	*	*			trans	-51.2	113	166.5	-42.7	0	0	0	0	108.7
319	G	26.6	Very low	35.9	Very low	61 Å²	61	123.8 Å²	123.8	63%	0.629	70%	0.703	S	S	*	*	S	Bend	trans	137	84.8	169.5	0	0	0	0	0	115.1	V317	V317-G319 PolarHBondContact O-N 2.86Å; V317-G319 VanDerWaalsContact O-N 3.1Å
320	L	28.7	Very low	33.8	Very low	165 Å²	165	131.6 Å²	131.6	86%	0.864	74%	0.744	S	S	*	*			trans	77.2	93.7	146.1	-61	164.3	0	0	0	119.6
321	V	28.7	Very low	32.1	Very low	142 Å²	142	135.3 Å²	135.3	86%	0.861	77%	0.767	S	S	*	*				75.3	128.7	129.2	-165.6	0	0	0	0	120.1
322	A	26.9	Very low	30.3	Very low	81 Å²	81	132.5 Å²	132.5	67%	0.669	78%	0.778	S	S	*	*			trans	-81.2	-177.9	-162.1	0	0	0	0	0	116.5
323	P	28.5	Very low	29.2	Very low	125 Å²	125	140.4 Å²	140.4	81%	0.812	81%	0.813	S	S	*	*				-137.5	132	96.6	26	-7.3	0	0	0	113.3
324	M	29.6	Very low	28.6	Very low	184 Å²	184	143.6 Å²	143.6	91%	0.906	82%	0.82	S	S	*	*				80.8	117.5	72.6	-111.9	-178.7	163.4	0	0	113.6
325	E	28.2	Very low	28.5	Very low	171 Å²	171	144.2 Å²	144.2	80%	0.799	83%	0.828	S	S	*	*			trans	-52.1	145	173.3	-59.8	-173.7	144.1	0	0	113.4
326	L	29	Very low	28.6	Very low	187 Å²	187	141.7 Å²	141.7	98%	0.979	83%	0.825	S	S	*	*			trans	-101	79.9	162.4	-153	83.6	0	0	0	108.4
327	S	29.7	Very low	28.7	Very low	93 Å²	93	138 Å²	138	65%	0.65	82%	0.822	S	S	*	*			trans	-99.5	138	160	55.6	0	0	0	0	109.4
328	L	27.3	Very low	28.8	Very low	180 Å²	180	140.5 Å²	140.5	94%	0.942	83%	0.83	S	S	*	*			trans	-61.7	130	-171.6	-64.4	135.9	0	0	0	113.1
329	A	29.8	Very low	28.9	Very low	93 Å²	93	139 Å²	139	77%	0.769	82%	0.819	S	S	*	*			trans	176.8	117.6	139.4	0	0	0	0	0	113.6
330	L	30.4	Very low	29	Very low	173 Å²	173	144.1 Å²	144.1	91%	0.906	83%	0.827	S	S	*	*			trans	38.2	143.7	144.8	-62.4	168.1	0	0	0	123.2
331	P	29.5	Very low	29.1	Very low	128 Å²	128	142.2 Å²	142.2	83%	0.831	82%	0.818	S	S	*	*			trans	-92.6	144.9	-168	36.3	-33	0	0	0	115.1
332	G	31.1	Very low	29.2	Very low	70 Å²	70	141.7 Å²	141.7	72%	0.722	81%	0.806	S	S	*	*			trans	135.4	98	150.5	0	0	0	0	0	116.4
333	Q	32.5	Very low	29.2	Very low	201 Å²	201	145.5 Å²	145.5	94%	0.939	80%	0.804	S	S	*	*			trans	178.3	135.2	132	-101.4	176.4	-9.1	0	0	111.5
334	R	26.5	Very low	29.2	Very low	240 Å²	240	148.1 Å²	148.1	91%	0.906	81%	0.81	S	S	*	*			trans	-85.4	139.2	174.3	-74.7	174.9	170.2	170.9	-3.6	110.1
335	V	31.4	Very low	29	Very low	145 Å²	145	144.9 Å²	144.9	88%	0.879	80%	0.795	S	S	*	*			trans	-142.2	138	147.5	-173.7	0	0	0	0	109.8
336	T	28.4	Very low	28.8	Very low	132 Å²	132	145.5 Å²	145.5	81%	0.81	80%	0.8	S	S	*	*			trans	-94	151.5	-170.4	44.9	0	0	0	0	113.7
337	G	27.6	Very low	28.7	Very low	68 Å²	68	141.3 Å²	141.3	70%	0.701	79%	0.785	S	S	*	*			trans	97.5	115.2	140.9	0	0	0	0	0	117.3
338	L	30.4	Very low	28.3	Very low	184 Å²	184	142 Å²	142	96%	0.963	79%	0.789	S	S	*	*				-178.7	146.7	108.5	-87.2	170.1	0	0	0	110.3
339	S	26.6	Very low	28.4	Very low	96 Å²	96	140.4 Å²	140.4	67%	0.671	79%	0.787	S	S	*	*			trans	-111.6	149.4	-157.2	51.1	0	0	0	0	114.1
340	E	28.5	Very low	28.2	Very low	169 Å²	169	141.9 Å²	141.9	79%	0.79	79%	0.792	S	S	*	*			trans	68.2	140.9	133.2	-75.4	-177.5	172.2	0	0	123.9
341	N	30	Very low	28	Very low	124 Å²	124	137.3 Å²	137.3	66%	0.663	79%	0.786	S	S	*	*			trans	87.4	130	148.8	-73.4	0.2	0	0	0	117.4
342	E	31.4	Very low	27.8	Very low	131 Å²	131	134.9 Å²	134.9	61%	0.612	79%	0.785	S	S	*	*			cis	-174.7	151.9	32.8	-120.4	167.5	-172.7	0	0	114.2
343	Y	27.4	Very low	27.5	Very low	162 Å²	162	135.3 Å²	135.3	64%	0.635	79%	0.789	S	S	*	*			trans	67.7	116.7	146.6	-65.2	-56.1	0	0	0	124.3	I345	Y343-I345 HydrophobicContact CD1-CD1 3.8Å; Y343-I345 HydrophobicContact CD1-CG1 4.11Å; Y343-I345 HydrophobicContact CE1-CD1 3.56Å; Y343-I345 HydrophobicContact CE1-CG1 4.36Å
344	L	27.9	Very low	27.4	Very low	180 Å²	180	131.3 Å²	131.3	94%	0.942	77%	0.772	S	S	*	*				-153.4	119.5	105.1	-97.7	168.3	0	0	0	110.6
345	I	25.1	Very low	27.7	Very low	116 Å²	116	127.8 Å²	127.8	60%	0.595	77%	0.77	S	S	*	*			trans	-97.1	141.1	-177.2	-70.3	169.6	0	0	0	110.6	Y343	Y343-I345 HydrophobicContact CD1-CD1 3.8Å; Y343-I345 HydrophobicContact CD1-CG1 4.11Å; Y343-I345 HydrophobicContact CE1-CD1 3.56Å; Y343-I345 HydrophobicContact CE1-CG1 4.36Å
346	M	24.9	Very low	28.3	Very low	183 Å²	183	126.2 Å²	126.2	90%	0.901	77%	0.765	S	S	*	*			trans	-137.2	149.5	145.7	-77.9	-71.5	164.8	0	0	108.5
347	P	25.3	Very low	30	Very low	100 Å²	100	123.9 Å²	123.9	65%	0.649	75%	0.745	S	S	*	*			trans	-105.3	142.8	-131.9	32.9	-25	0	0	0	116.5
348	S	23.3	Very low	32.2	Very low	107 Å²	107	122.5 Å²	122.5	75%	0.748	72%	0.721	S	S	*	*			trans	32.9	113.9	140.8	62.1	0	0	0	0	120.5
349	T	28.7	Very low	34.5	Very low	146 Å²	146	118.7 Å²	118.7	90%	0.896	70%	0.699	S	S	*	*				-140.6	130.5	112.2	34.4	0	0	0	0	110
350	S	25.8	Very low	37.2	Very low	125 Å²	125	118.7 Å²	118.7	87%	0.874	69%	0.694	S	S	*	*			trans	-61.8	139.4	-176.8	43.6	0	0	0	0	115.4
351	G	26.1	Very low	39.5	Very low	76 Å²	76	112.1 Å²	112.1	78%	0.784	67%	0.672	S	S	*	*			trans	141.2	83.4	169.1	0	0	0	0	0	110.2
352	G	24.7	Very low	42	Very low	78 Å²	78	107.8 Å²	107.8	80%	0.804	65%	0.649	S	S	*	*				75.7	100.3	68.6	0	0	0	0	0	108.5
353	G	25.2	Very low	44.4	Very low	78 Å²	78	104.4 Å²	104.4	80%	0.804	64%	0.637	S	S	*	*			trans	-58.3	143.7	-163.7	0	0	0	0	0	116.1
354	M	31.2	Very low	47.2	Very low	118 Å²	118	96.7 Å²	96.7	58%	0.581	61%	0.607	S	S	*	*			trans	-169.8	64.1	168.9	-129.8	152.9	77	0	0	112.6	Q357	M354-Q357 HydrophobicContact CG-CB 4.13Å; M354-Q357 VanDerWaalsContact CG-CD 3.43Å; M354-Q357 HydrophobicContact CG-CG 3.84Å; M354-Q357 VanDerWaalsContact SD-CD 3.57Å; M354-Q357 PolarHBondContact SD-OE1 2.82Å
355	L	32.1	Very low	50	Low	166 Å²	166	92.2 Å²	92.2	87%	0.869	58%	0.577	S	S	*	*	S	Bend	trans	-105.2	24	170.1	-93.1	168.3	0	0	0	113.5
356	S	44.3	Very low	52.9	Low	111 Å²	111	86.7 Å²	86.7	78%	0.776	55%	0.549	S	S	*	.	S	Bend	trans	-121.6	20.9	176.6	68.7	0	0	0	0	114.1
357	Q	63.1	Low	55.8	Low	84 Å²	84	78.9 Å²	78.9	39%	0.393	51%	0.512	S	S	.	.			trans	-128.3	3.6	-164.5	-79.2	-161.5	10	0	0	117.7	M354 D362 K423	M354-Q357 HydrophobicContact CG-CB 4.13Å; M354-Q357 VanDerWaalsContact CG-CD 3.43Å; M354-Q357 HydrophobicContact CG-CG 3.84Å; M354-Q357 VanDerWaalsContact SD-CD 3.57Å; M354-Q357 PolarHBondContact SD-OE1 2.82Å; Q357-D362 VanDerWaalsContact O-OD2 3.1Å; Q357-K423 HydrophobicContact CB-CD 4.49Å; Q357-K423 WeakPolarHBondContact O-CE 3.45Å; Q357-K423 PolarHBondContact O-NZ 2.83Å
358	L	73.3	Confident	58.6	Low	38 Å²	38	79 Å²	79	20%	0.199	51%	0.508	C	S	.	.			trans	-112.6	114.9	174.8	-65.7	-175.7	0	0	0	110.9	D362 V364 I397 V400 V418 L421 K423	L358-D362 WeakPolarHBondContact CA-OD2 3.22Å; L358-V364 HydrophobicContact CD1-CG1 4.48Å; L358-V364 HydrophobicContact CD2-CG1 3.49Å; L358-V364 VanDerWaalsContact CD2-CG1 3.49Å; L358-I397 HydrophobicContact CB-CD1 3.73Å; L358-I397 HydrophobicContact CD1-CD1 4.12Å; L358-I397 HydrophobicContact CD2-CD1 4.05Å; L358-I397 HydrophobicContact CG-CD1 4.18Å; L358-V400 HydrophobicContact CB-CG2 4.43Å; L358-V418 HydrophobicContact CD1-CG1 3.81Å; L358-L421 HydrophobicContact CD1-CB 4Å; L358-L421 HydrophobicContact CD1-CD1 4.06Å; L358-K423 HydrophobicContact CD2-CD 4.4Å; L358-K423 HydrophobicContact CD2-CG 3.92Å
359	E	79.7	Confident	61.5	Low	105 Å²	105	77.2 Å²	77.2	49%	0.491	49%	0.49	S	S	.	.			trans	-113	158.2	176.8	-65.2	-174.3	165.5	0	0	110.8	G361 D362 R552	E359-G361 PolarHBondContact O-N 3.05Å; E359-D362 PolarHBondContact N-OD2 3.23Å; E359-D362 VanDerWaalsContact O-CB 3.31Å; E359-D362 WeakPolarHBondContact O-CB 3.08Å; E359-D362 PolarHBondContact O-N 3.29Å; E359-R552 IonicContact OE1-CZ 3.84Å; E359-R552 IonicContact OE1-NH1 3.64Å; E359-R552 IonicContact OE1-NH2 3.85Å; E359-R552 PolarHBondContact OE1-NH2 2.88Å
360	V	82.8	Confident	63.8	Low	95 Å²	95	72.2 Å²	72.2	58%	0.576	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	128.6	170.1	176.8	0	0	0	0	108.9	V398 V400	V360-V398 WeakPolarHBondContact CG1-O 3.4Å; V360-V400 HydrophobicContact CG2-CG1 4.33Å
361	G	76.9	Confident	66.2	Low	31 Å²	31	70.4 Å²	70.4	32%	0.32	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	99	-15	-175	0	0	0	0	0	114.6	E359 Q396 I397	E359-G361 PolarHBondContact O-N 3.05Å; G361-Q396 PolarHBondContact O-NE2 2.8Å; G361-I397 PolarHBondContact N-O 2.8Å
362	D	83.9	Confident	68.7	Low	34 Å²	34	71.1 Å²	71.1	18%	0.182	42%	0.424	C	S	.	.			trans	-61.4	139.7	175.9	-86	-32	0	0	0	111.6	Q357 L358 E359 Q396 I397 K423	Q357-D362 VanDerWaalsContact O-OD2 3.1Å; L358-D362 WeakPolarHBondContact CA-OD2 3.22Å; E359-D362 PolarHBondContact N-OD2 3.23Å; E359-D362 VanDerWaalsContact O-CB 3.31Å; E359-D362 WeakPolarHBondContact O-CB 3.08Å; E359-D362 PolarHBondContact O-N 3.29Å; D362-Q396 WeakPolarHBondContact O-CA 3.27Å; D362-I397 HydrophobicContact CB-CD1 4.11Å; D362-I397 HydrophobicContact CB-CG1 4.42Å; D362-I397 PolarHBondContact O-N 3.09Å; D362-K423 WeakPolarHBondContact OD1-CE 3.33Å; D362-K423 IonicContact OD1-NZ 3.29Å; D362-K423 PolarHBondContact OD1-NZ 3.25Å; D362-K423 WeakPolarHBondContact OD2-CE 3.26Å; D362-K423 IonicContact OD2-NZ 2.8Å; D362-K423 PolarHBondContact OD2-NZ 3.49Å
363	V	80.6	Confident	71.1	Confident	60 Å²	60	67.4 Å²	67.4	36%	0.364	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.8	170	-178.1	0	0	0	0	108.3	Y394 G395 P424 I433	V363-Y394 HydrophobicContact CG1-CD1 4.33Å; V363-G395 WeakPolarHBondContact CA-O 3.22Å; V363-P424 WeakPolarHBondContact O-CD 3.35Å; V363-I433 HydrophobicContact CG2-CD1 3.78Å
364	V	85.6	Confident	73.5	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.6	-178.7	-69.4	0	0	0	0	110.4	L358 Y394 G395 I397 V407 L421	L358-V364 HydrophobicContact CD1-CG1 4.48Å; L358-V364 HydrophobicContact CD2-CG1 3.49Å; L358-V364 VanDerWaalsContact CD2-CG1 3.49Å; V364-Y394 VanDerWaalsContact O-CA 3.31Å; V364-Y394 WeakPolarHBondContact O-CA 3.47Å; V364-G395 PolarHBondContact N-O 3.48Å; V364-G395 PolarHBondContact O-N 3.24Å; V364-I397 HydrophobicContact CG1-CD1 3.78Å; V364-I397 HydrophobicContact CG1-CG1 4.02Å; V364-I397 HydrophobicContact CG2-CG1 3.98Å; V364-V407 HydrophobicContact CG2-CG1 3.93Å; V364-V407 HydrophobicContact CG2-CG2 3.93Å; V364-L421 HydrophobicContact CB-CB 4.25Å; V364-L421 HydrophobicContact CB-CD2 4.16Å; V364-L421 HydrophobicContact CG1-CB 4.37Å; V364-L421 HydrophobicContact CG2-CD1 4.14Å; V364-L421 HydrophobicContact CG2-CD2 3.78Å; V364-L421 HydrophobicContact CG2-CG 4.41Å
365	R	87.4	Confident	75.4	Confident	85 Å²	85	72.8 Å²	72.8	32%	0.321	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.1	166.5	-172.7	-179.9	174.6	-143.7	-12.7	108.7	D368 Y394 S422	R365-D368 IonicContact CZ-OD2 2.76Å; R365-D368 IonicContact NH2-OD2 2.78Å; R365-D368 PolarHBondContact NH2-OD2 2.87Å; R365-Y394 HydrophobicContact CB-CD1 3.92Å; R365-Y394 HydrophobicContact CB-CE1 3.68Å; R365-Y394 HydrophobicContact CG-CD1 4.38Å; R365-Y394 HydrophobicContact CG-CE1 4.02Å; R365-S422 PolarHBondContact N-O 3.38Å; R365-S422 PolarHBondContact O-N 2.82Å; R365-S422 PolarHBondContact O-OG 3.13Å
366	I	86	Confident	77.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	137.7	172.7	-60.4	-177.7	0	0	0	108.7	D368 L373 I390 G392 K393 V407 I409 L421	I366-D368 PolarHBondContact O-N 3.09Å; I366-L373 HydrophobicContact CG2-CD1 4.03Å; I366-L373 HydrophobicContact CG2-CD2 3.48Å; I366-L373 VanDerWaalsContact CG2-CD2 3.48Å; I366-L373 HydrophobicContact CG2-CG 4.35Å; I366-I390 HydrophobicContact CD1-CB 4.2Å; I366-I390 HydrophobicContact CD1-CD1 4.26Å; I366-I390 HydrophobicContact CG2-CG1 4.5Å; I366-G392 WeakPolarHBondContact O-CA 2.99Å; I366-G392 PolarHBondContact O-N 3.45Å; I366-G392 VanDerWaalsContact O-N 3.14Å; I366-K393 PolarHBondContact N-O 2.73Å; I366-V407 HydrophobicContact CD1-CG1 4.3Å; I366-I409 HydrophobicContact CD1-CD1 3.27Å; I366-I409 HydrophobicContact CD1-CG1 4.12Å; I366-L421 HydrophobicContact CG1-CD2 3.84Å
367	S	85.3	Confident	78	Confident	19 Å²	19	62.5 Å²	62.5	13%	0.133	32%	0.323	C	S	.	.			trans	-44.8	134.2	174.5	-171.9	0	0	0	0	111.2	D369 L373 A391 G392 V420	S367-D369 VanDerWaalsContact C-N 3.29Å; S367-D369 PolarHBondContact OG-N 3.22Å; S367-L373 WeakPolarHBondContact O-CD1 3.48Å; S367-A391 WeakPolarHBondContact O-CA 3.47Å; S367-G392 PolarHBondContact O-N 2.87Å; S367-V420 PolarHBondContact N-O 3.28Å
368	D	85	Confident	77.7	Confident	102 Å²	102	60.4 Å²	60.4	55%	0.545	32%	0.317	S	S	.	.	S	Bend	trans	-77	-19.4	170.2	39.9	17.2	0	0	0	112	R365 I366 V370	R365-D368 IonicContact CZ-OD2 2.76Å; R365-D368 IonicContact NH2-OD2 2.78Å; R365-D368 PolarHBondContact NH2-OD2 2.87Å; I366-D368 PolarHBondContact O-N 3.09Å; D368-V370 PolarHBondContact O-N 2.79Å; D368-V370 VanDerWaalsContact O-N 3.08Å
369	D	83.4	Confident	76.8	Confident	70 Å²	70	65.4 Å²	65.4	37%	0.374	35%	0.349	S	S	.	.			trans	-70.3	99.7	172.2	-171.8	-12.9	0	0	0	112	S367 T371 K372 L373	S367-D369 VanDerWaalsContact C-N 3.29Å; S367-D369 PolarHBondContact OG-N 3.22Å; D369-T371 PolarHBondContact O-N 2.93Å; D369-T371 WeakPolarHBondContact OD1-CA 3.25Å; D369-T371 WeakPolarHBondContact OD1-CB 3.31Å; D369-T371 PolarHBondContact OD1-N 3.3Å; D369-T371 PolarHBondContact OD1-OG1 3.31Å; D369-T371 VanDerWaalsContact OD1-OG1 3.05Å; D369-K372 HydrophobicContact CB-CB 3.81Å; D369-K372 PolarHBondContact O-N 2.92Å; D369-K372 PolarHBondContact OD1-N 3.49Å; D369-K372 VanDerWaalsContact OD1-N 3.09Å; D369-L373 WeakPolarHBondContact O-CG 3.3Å; D369-L373 PolarHBondContact O-N 3.48Å
370	V	78.3	Confident	75.4	Confident	41 Å²	41	65.8 Å²	65.8	25%	0.248	36%	0.363	C	S	.	.	H	α-helix	trans	-63.6	-28	177.5	-178.4	0	0	0	0	112	D368 R374 F387 A391	D368-V370 PolarHBondContact O-N 2.79Å; D368-V370 VanDerWaalsContact O-N 3.08Å; V370-R374 WeakPolarHBondContact O-CG 3.06Å; V370-R374 PolarHBondContact O-N 3.04Å; V370-F387 HydrophobicContact CG1-CB 4.29Å; V370-A391 HydrophobicContact CG2-CB 3.88Å
371	T	76.3	Confident	73.9	Confident	88 Å²	88	62.3 Å²	62.3	54%	0.54	34%	0.343	S	S	.	.	H	α-helix	trans	-68.9	-49.9	177	-31.6	0	0	0	0	109.3	D369 L373 R374 E375	D369-T371 PolarHBondContact O-N 2.93Å; D369-T371 WeakPolarHBondContact OD1-CA 3.25Å; D369-T371 WeakPolarHBondContact OD1-CB 3.31Å; D369-T371 PolarHBondContact OD1-N 3.3Å; D369-T371 PolarHBondContact OD1-OG1 3.31Å; D369-T371 VanDerWaalsContact OD1-OG1 3.05Å; T371-L373 VanDerWaalsContact C-N 3.3Å; T371-L373 PolarHBondContact O-N 3.22Å; T371-R374 PolarHBondContact O-N 3.32Å; T371-R374 VanDerWaalsContact O-N 3.13Å; T371-E375 WeakPolarHBondContact O-CG 3.42Å; T371-E375 PolarHBondContact O-N 3.41Å
372	K	77.2	Confident	72.7	Confident	90 Å²	90	69.9 Å²	69.9	39%	0.391	37%	0.37	S	S	.	.	H	α-helix	trans	-60.8	-37.5	175.4	-162.1	-179.3	-178.1	-179.9	0	112.3	D369 C376 V420	D369-K372 HydrophobicContact CB-CB 3.81Å; D369-K372 PolarHBondContact O-N 2.92Å; D369-K372 PolarHBondContact OD1-N 3.49Å; D369-K372 VanDerWaalsContact OD1-N 3.09Å; K372-C376 WeakPolarHBondContact O-CB 3.42Å; K372-C376 PolarHBondContact O-N 2.54Å; K372-C376 PolarHBondContact O-SG 2.99Å; K372-V420 HydrophobicContact CD-CG1 4.46Å; K372-V420 HydrophobicContact CG-CG1 4.06Å
373	L	76.5	Confident	71.3	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-63	-45	173.2	-74.2	172.1	0	0	0	112.4	I366 S367 D369 T371 E375 T377 F387 A391 V420	I366-L373 HydrophobicContact CG2-CD1 4.03Å; I366-L373 HydrophobicContact CG2-CD2 3.48Å; I366-L373 VanDerWaalsContact CG2-CD2 3.48Å; I366-L373 HydrophobicContact CG2-CG 4.35Å; S367-L373 WeakPolarHBondContact O-CD1 3.48Å; D369-L373 WeakPolarHBondContact O-CG 3.3Å; D369-L373 PolarHBondContact O-N 3.48Å; T371-L373 VanDerWaalsContact C-N 3.3Å; T371-L373 PolarHBondContact O-N 3.22Å; L373-E375 PolarHBondContact O-N 2.85Å; L373-T377 WeakPolarHBondContact O-CB 3.45Å; L373-T377 PolarHBondContact O-N 2.89Å; L373-T377 PolarHBondContact O-OG1 3.14Å; L373-F387 HydrophobicContact CB-CB 4.3Å; L373-F387 HydrophobicContact CB-CD1 3.98Å; L373-F387 HydrophobicContact CB-CG 4.15Å; L373-F387 HydrophobicContact CD1-CB 4.38Å; L373-A391 HydrophobicContact CD1-CB 3.81Å; L373-V420 HydrophobicContact CD2-CB 3.83Å; L373-V420 HydrophobicContact CD2-CG1 4.12Å; L373-V420 HydrophobicContact CD2-CG2 3.73Å
374	R	75.5	Confident	69.9	Low	158 Å²	158	72.5 Å²	72.5	60%	0.596	38%	0.384	S	S	*	.	H	α-helix	trans	-64.8	-38.9	178.4	-77.8	176	172.9	-171.5	-3.6	112.8	V370 T371 F387	V370-R374 WeakPolarHBondContact O-CG 3.06Å; V370-R374 PolarHBondContact O-N 3.04Å; T371-R374 PolarHBondContact O-N 3.32Å; T371-R374 VanDerWaalsContact O-N 3.13Å; R374-F387 HydrophobicContact CG-CD2 3.71Å; R374-F387 HydrophobicContact CG-CE2 4.22Å
375	E	71.2	Confident	68.5	Low	152 Å²	152	77.1 Å²	77.1	71%	0.71	42%	0.416	S	S	*	.	H	α-helix	trans	-76.4	-34.4	-177.8	-70.7	175	179.9	0	0	113.1	T371 L373	T371-E375 WeakPolarHBondContact O-CG 3.42Å; T371-E375 PolarHBondContact O-N 3.41Å; L373-E375 PolarHBondContact O-N 2.85Å
376	C	66.6	Low	67.5	Low	50 Å²	50	77.3 Å²	77.3	34%	0.338	42%	0.423	S	S	.	.	H	α-helix	trans	-94.4	-13.5	-173.2	-61.5	0	0	0	0	113.9	K372 S417 V420	K372-C376 WeakPolarHBondContact O-CB 3.42Å; K372-C376 PolarHBondContact O-N 2.54Å; K372-C376 PolarHBondContact O-SG 2.99Å; C376-S417 WeakPolarHBondContact O-CB 3.3Å; C376-V420 HydrophobicContact CB-CG1 3.74Å
377	T	63.5	Low	66.8	Low	11 Å²	11	78 Å²	78	7%	0.067	43%	0.426	C	S	.	.	S	Bend	trans	-91.7	136.2	-173.4	-51.2	0	0	0	0	111.8	L373 V379 F387 S415	L373-T377 WeakPolarHBondContact O-CB 3.45Å; L373-T377 PolarHBondContact O-N 2.89Å; L373-T377 PolarHBondContact O-OG1 3.14Å; T377-V379 PolarHBondContact O-N 2.95Å; T377-F387 HydrophobicContact CG2-CE1 3.73Å; T377-F387 HydrophobicContact CG2-CZ 3.64Å; T377-F387 WeakPolarHBondContact OG1-CE1 3.45Å; T377-S415 WeakPolarHBondContact CG2-O 3.4Å
378	P	57.7	Low	66.3	Low	39 Å²	39	86.4 Å²	86.4	25%	0.253	46%	0.455	S	S	.	.			trans	-59.2	134.5	179.5	-21.8	32.5	0	0	0	112.5	S380 N404	P378-S380 PolarHBondContact O-N 2.83Å; P378-N404 WeakPolarHBondContact CG-OD1 3.47Å
379	V	54.1	Low	65.8	Low	144 Å²	144	84.1 Å²	84.1	87%	0.873	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.1	-179	-167.4	0	0	0	0	113	T377	T377-V379 PolarHBondContact O-N 2.95Å
380	S	49.4	Very low	65.7	Low	113 Å²	113	80.9 Å²	80.9	79%	0.79	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	12.6	-173.8	69.2	0	0	0	0	115.7	P378	P378-S380 PolarHBondContact O-N 2.83Å
381	S	51.8	Low	65.9	Low	22 Å²	22	80.1 Å²	80.1	15%	0.154	43%	0.426	C	S	.	.			trans	-88.9	126.7	176	63.8	0	0	0	0	110.8	H383 S384	S381-H383 PolarHBondContact O-N 3.47Å; S381-S384 WeakPolarHBondContact O-CB 3.43Å; S381-S384 PolarHBondContact O-N 3.11Å; S381-S384 VanDerWaalsContact O-N 3.08Å
382	E	50.7	Low	66.1	Low	190 Å²	190	77 Å²	77	89%	0.888	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-2.6	176.2	-72	178.9	161.3	0	0	113.9
383	H	54.7	Low	66.4	Low	87 Å²	87	77.3 Å²	77.3	40%	0.403	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	15.7	-178.3	-54.4	87.6	0	0	0	113.1	S381 S385 D386 W414	S381-H383 PolarHBondContact O-N 3.47Å; H383-S385 PolarHBondContact O-N 2.86Å; H383-D386 PolarHBondContact O-N 2.92Å; H383-W414 HydrophobicContact CB-CE3 3.79Å; H383-W414 HydrophobicContact CB-CH2 3.7Å; H383-W414 HydrophobicContact CB-CZ3 3.29Å; H383-W414 WeakPolarHBondContact O-CZ3 3.39Å
384	S	52.8	Low	66.8	Low	62 Å²	62	83.4 Å²	83.4	43%	0.434	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-8	-170.8	76.3	0	0	0	0	116.1	S381 F387	S381-S384 WeakPolarHBondContact O-CB 3.43Å; S381-S384 PolarHBondContact O-N 3.11Å; S381-S384 VanDerWaalsContact O-N 3.08Å; S384-F387 WeakPolarHBondContact O-CE2 3.28Å
385	S	54.2	Low	67.1	Low	96 Å²	96	76.2 Å²	76.2	67%	0.671	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-19.2	-177.1	48.6	0	0	0	0	115.1	H383	H383-S385 PolarHBondContact O-N 2.86Å
386	D	66.7	Low	67.8	Low	89 Å²	89	71.1 Å²	71.1	48%	0.476	39%	0.387	S	S	.	.			trans	-127.7	45.1	-165.6	-104.3	-21.1	0	0	0	115.3	H383 R388 T389	H383-D386 PolarHBondContact O-N 2.92Å; D386-R388 PolarHBondContact O-N 2.89Å; D386-T389 HydrophobicContact CB-CG2 4.02Å; D386-T389 WeakPolarHBondContact O-CB 3.37Å; D386-T389 PolarHBondContact O-N 3.46Å; D386-T389 PolarHBondContact O-OG1 2.94Å
387	F	72	Confident	68.7	Low	14 Å²	14	68.8 Å²	68.8	6%	0.061	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-53.9	-22.3	175.4	-72.3	-66.8	0	0	0	114.7	V370 L373 R374 T377 S384 T389 I390 A391	V370-F387 HydrophobicContact CG1-CB 4.29Å; L373-F387 HydrophobicContact CB-CB 4.3Å; L373-F387 HydrophobicContact CB-CD1 3.98Å; L373-F387 HydrophobicContact CB-CG 4.15Å; L373-F387 HydrophobicContact CD1-CB 4.38Å; R374-F387 HydrophobicContact CG-CD2 3.71Å; R374-F387 HydrophobicContact CG-CE2 4.22Å; T377-F387 HydrophobicContact CG2-CE1 3.73Å; T377-F387 HydrophobicContact CG2-CZ 3.64Å; T377-F387 WeakPolarHBondContact OG1-CE1 3.45Å; S384-F387 WeakPolarHBondContact O-CE2 3.28Å; F387-T389 PolarHBondContact O-N 2.83Å; F387-I390 HydrophobicContact CD1-CD1 3.85Å; F387-I390 HydrophobicContact CD1-CG1 4.24Å; F387-I390 HydrophobicContact CE1-CD1 4.29Å; F387-I390 WeakPolarHBondContact O-CG1 3.39Å; F387-I390 PolarHBondContact O-N 3.11Å; F387-A391 WeakPolarHBondContact O-CB 3.49Å; F387-A391 PolarHBondContact O-N 3.01Å
388	R	75.2	Confident	69.8	Low	197 Å²	197	70.2 Å²	70.2	74%	0.743	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-59.4	-28	171.6	-71.9	-177.3	-177.5	152.5	-1.2	112.8	D386 I390	D386-R388 PolarHBondContact O-N 2.89Å; R388-I390 VanDerWaalsContact C-N 3.32Å
389	T	73.7	Confident	71.1	Confident	54 Å²	54	71 Å²	71	33%	0.331	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-76.1	-18.9	180	62.6	0	0	0	0	113.1	D386 F387 K393	D386-T389 HydrophobicContact CB-CG2 4.02Å; D386-T389 WeakPolarHBondContact O-CB 3.37Å; D386-T389 PolarHBondContact O-N 3.46Å; D386-T389 PolarHBondContact O-OG1 2.94Å; F387-T389 PolarHBondContact O-N 2.83Å; T389-K393 WeakPolarHBondContact O-CD 3.27Å; T389-K393 WeakPolarHBondContact O-CE 3.44Å; T389-K393 PolarHBondContact O-NZ 2.87Å
390	I	80.6	Confident	72.6	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-17.7	-177.7	69.2	171.3	0	0	0	114.1	I366 F387 R388 G392 K393 I409 W414 V416	I366-I390 HydrophobicContact CD1-CB 4.2Å; I366-I390 HydrophobicContact CD1-CD1 4.26Å; I366-I390 HydrophobicContact CG2-CG1 4.5Å; F387-I390 HydrophobicContact CD1-CD1 3.85Å; F387-I390 HydrophobicContact CD1-CG1 4.24Å; F387-I390 HydrophobicContact CE1-CD1 4.29Å; F387-I390 WeakPolarHBondContact O-CG1 3.39Å; F387-I390 PolarHBondContact O-N 3.11Å; R388-I390 VanDerWaalsContact C-N 3.32Å; I390-G392 PolarHBondContact O-N 3.14Å; I390-K393 WeakPolarHBondContact O-CB 3.37Å; I390-K393 PolarHBondContact O-N 3.05Å; I390-I409 HydrophobicContact CB-CD1 3.59Å; I390-I409 HydrophobicContact CG2-CD1 3.5Å; I390-I409 VanDerWaalsContact CG2-CD1 3.5Å; I390-W414 HydrophobicContact CD1-CB 4.37Å; I390-W414 HydrophobicContact CD1-CD2 4.16Å; I390-W414 HydrophobicContact CD1-CE3 3.87Å; I390-W414 HydrophobicContact CD1-CG 4.38Å; I390-W414 HydrophobicContact CD1-CZ3 4.48Å; I390-W414 HydrophobicContact CG2-CD2 3.49Å; I390-W414 VanDerWaalsContact CG2-CD2 3.49Å; I390-W414 HydrophobicContact CG2-CE3 3.86Å; I390-W414 HydrophobicContact CG2-CG 3.94Å; I390-W414 HydrophobicContact CG2-CH2 4Å; I390-W414 HydrophobicContact CG2-CZ2 3.67Å; I390-W414 HydrophobicContact CG2-CZ3 4.08Å; I390-V416 HydrophobicContact CD1-CG1 3.92Å
391	A	83.4	Confident	74	Confident	26 Å²	26	64.2 Å²	64.2	22%	0.215	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	129.1	179.3	0	0	0	0	0	111.5	S367 V370 L373 F387 K393	S367-A391 WeakPolarHBondContact O-CA 3.47Å; V370-A391 HydrophobicContact CG2-CB 3.88Å; L373-A391 HydrophobicContact CD1-CB 3.81Å; F387-A391 WeakPolarHBondContact O-CB 3.49Å; F387-A391 PolarHBondContact O-N 3.01Å; A391-K393 PolarHBondContact O-N 2.83Å; A391-K393 VanDerWaalsContact O-N 3.14Å
392	G	80.7	Confident	74.8	Confident	22 Å²	22	69.9 Å²	69.9	23%	0.227	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	-6	-178.9	0	0	0	0	0	115.9	I366 S367 I390	I366-G392 WeakPolarHBondContact O-CA 2.99Å; I366-G392 PolarHBondContact O-N 3.45Å; I366-G392 VanDerWaalsContact O-N 3.14Å; S367-G392 PolarHBondContact O-N 2.87Å; I390-G392 PolarHBondContact O-N 3.14Å
393	K	84.3	Confident	76.1	Confident	96 Å²	96	62.7 Å²	62.7	42%	0.417	33%	0.332	S	S	.	.			trans	-75.7	157.5	178.9	-68.9	-168.3	177.3	166.4	0	111.8	I366 T389 I390 A391 I409	I366-K393 PolarHBondContact N-O 2.73Å; T389-K393 WeakPolarHBondContact O-CD 3.27Å; T389-K393 WeakPolarHBondContact O-CE 3.44Å; T389-K393 PolarHBondContact O-NZ 2.87Å; I390-K393 WeakPolarHBondContact O-CB 3.37Å; I390-K393 PolarHBondContact O-N 3.05Å; A391-K393 PolarHBondContact O-N 2.83Å; A391-K393 VanDerWaalsContact O-N 3.14Å; K393-I409 HydrophobicContact CB-CG2 4.08Å; K393-I409 HydrophobicContact CD-CG2 3.75Å
394	Y	84.5	Confident	77.5	Confident	128 Å²	128	61 Å²	61	50%	0.502	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	144.5	170	-64.8	-93.2	0	0	0	109.8	V363 V364 R365 P424	V363-Y394 HydrophobicContact CG1-CD1 4.33Å; V364-Y394 VanDerWaalsContact O-CA 3.31Å; V364-Y394 WeakPolarHBondContact O-CA 3.47Å; R365-Y394 HydrophobicContact CB-CD1 3.92Å; R365-Y394 HydrophobicContact CB-CE1 3.68Å; R365-Y394 HydrophobicContact CG-CD1 4.38Å; R365-Y394 HydrophobicContact CG-CE1 4.02Å; Y394-P424 HydrophobicContact CD1-CG 4.39Å; Y394-P424 HydrophobicContact CE1-CB 4.21Å; Y394-P424 HydrophobicContact CE1-CG 3.98Å
395	G	81.4	Confident	79	Confident	8 Å²	8	58 Å²	58	8%	0.082	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	169.1	172.9	0	0	0	0	0	111.8	V363 V364 R408	V363-G395 WeakPolarHBondContact CA-O 3.22Å; V364-G395 PolarHBondContact N-O 3.48Å; V364-G395 PolarHBondContact O-N 3.24Å; G395-R408 CarbonylContact C-O 3.55Å; G395-R408 WeakPolarHBondContact CA-O 3.04Å
396	Q	85.3	Confident	80.7	Confident	44 Å²	44	54.8 Å²	54.8	21%	0.206	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.9	180	-170.2	-178.7	22.4	0	0	110	G361 D362 V398 V407 R408 I433	G361-Q396 PolarHBondContact O-NE2 2.8Å; D362-Q396 WeakPolarHBondContact O-CA 3.27Å; Q396-V398 PolarHBondContact O-N 2.9Å; Q396-V407 CarbonylContact O-C 3.5Å; Q396-V407 WeakPolarHBondContact O-CA 3.43Å; Q396-R408 PolarHBondContact N-O 3.18Å; Q396-R408 PolarHBondContact O-N 2.94Å; Q396-I433 HydrophobicContact CB-CD1 3.93Å; Q396-I433 HydrophobicContact CG-CD1 3.66Å; Q396-I433 VanDerWaalsContact NE2-CD1 3.33Å
397	I	85.7	Confident	81.7	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	119.8	173.4	-62.9	-172.8	0	0	0	109.5	L358 G361 D362 V364 S399 V400 V407	L358-I397 HydrophobicContact CB-CD1 3.73Å; L358-I397 HydrophobicContact CD1-CD1 4.12Å; L358-I397 HydrophobicContact CD2-CD1 4.05Å; L358-I397 HydrophobicContact CG-CD1 4.18Å; G361-I397 PolarHBondContact N-O 2.8Å; D362-I397 HydrophobicContact CB-CD1 4.11Å; D362-I397 HydrophobicContact CB-CG1 4.42Å; D362-I397 PolarHBondContact O-N 3.09Å; V364-I397 HydrophobicContact CG1-CD1 3.78Å; V364-I397 HydrophobicContact CG1-CG1 4.02Å; V364-I397 HydrophobicContact CG2-CG1 3.98Å; I397-S399 WeakPolarHBondContact CG2-O 3.16Å; I397-V400 HydrophobicContact CG2-CB 3.88Å; I397-V407 HydrophobicContact CG1-CG2 4.48Å
398	V	86.8	Confident	82.4	Confident	41 Å²	41	54.4 Å²	54.4	25%	0.248	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-38.3	174.4	-176.5	0	0	0	0	110.7	V360 Q396 T406 R408 E413	V360-V398 WeakPolarHBondContact CG1-O 3.4Å; Q396-V398 PolarHBondContact O-N 2.9Å; V398-T406 HydrophobicContact CB-CG2 4.23Å; V398-T406 PolarHBondContact N-O 2.79Å; V398-R408 HydrophobicContact CG2-CB 3.58Å; V398-E413 HydrophobicContact CG2-CG 4.36Å
399	S	85.8	Confident	82.7	Confident	55 Å²	55	45.5 Å²	45.5	39%	0.385	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	146.9	174.3	72.8	0	0	0	0	108.2	I397 A405 T406	I397-S399 WeakPolarHBondContact CG2-O 3.16Å; S399-A405 CarbonylContact O-C 3.17Å; S399-A405 VanDerWaalsContact O-CA 3.28Å; S399-A405 WeakPolarHBondContact O-CA 3.43Å; S399-T406 PolarHBondContact N-O 2.77Å; S399-T406 PolarHBondContact O-N 2.7Å; S399-T406 VanDerWaalsContact OG-CB 3.27Å; S399-T406 WeakPolarHBondContact OG-CB 3.49Å; S399-T406 PolarHBondContact OG-OG1 2.87Å
400	V	84.4	Confident	82.9	Confident	57 Å²	57	47.6 Å²	47.6	35%	0.345	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.7	175.8	64.3	0	0	0	0	108.8	L358 V360 I397 A405 V418	L358-V400 HydrophobicContact CB-CG2 4.43Å; V360-V400 HydrophobicContact CG2-CG1 4.33Å; I397-V400 HydrophobicContact CG2-CB 3.88Å; V400-A405 HydrophobicContact CB-CB 4.44Å; V400-A405 HydrophobicContact CG2-CB 4.23Å; V400-V418 HydrophobicContact CG2-CG2 4.27Å
401	S	79.4	Confident	82.6	Confident	58 Å²	58	55.8 Å²	55.8	41%	0.406	30%	0.301	S	S	.	.			trans	-123	177.5	171.8	70.8	0	0	0	0	108.6	S403 N404	S401-S403 PolarHBondContact O-N 3.32Å; S401-N404 WeakPolarHBondContact CA-O 3.3Å; S401-N404 WeakPolarHBondContact CB-O 3.5Å; S401-N404 PolarHBondContact N-O 2.79Å; S401-N404 PolarHBondContact OG-N 3.42Å; S401-N404 PolarHBondContact OG-O 3.4Å
402	W	69.6	Low	82.2	Confident	141 Å²	141	56.2 Å²	56.2	53%	0.534	31%	0.305	S	S	.	.	S	Bend	trans	-60	-16.5	-179.9	-76.1	67	0	0	0	115.9	S87 C88 K117	S87-W402 WeakPolarHBondContact O-CZ3 3.41Å; C88-W402 HydrophobicContact CB-CD2 4.23Å; C88-W402 HydrophobicContact CB-CE3 3.94Å; C88-W402 HydrophobicContact CB-CH2 2.97Å; C88-W402 HydrophobicContact CB-CZ2 3.19Å; C88-W402 HydrophobicContact CB-CZ3 3.36Å; C88-W402 WeakPolarHBondContact O-CH2 3.18Å; K117-W402 PolarHBondContact NZ-O 3.33Å
403	S	78.2	Confident	82.5	Confident	39 Å²	39	59.4 Å²	59.4	27%	0.273	31%	0.314	S	S	.	.	S	Bend	trans	-137.8	-24.9	-178.4	52.3	0	0	0	0	113.4	S401 S417 V418	S401-S403 PolarHBondContact O-N 3.32Å; S403-S417 CarbonylContact O-C 3.57Å; S403-S417 VanDerWaalsContact O-CA 3.26Å; S403-S417 WeakPolarHBondContact O-CA 3.45Å; S403-V418 PolarHBondContact O-N 3.06Å
404	N	83.2	Confident	82.4	Confident	50 Å²	50	56.3 Å²	56.3	27%	0.267	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.2	-176.5	-57.5	-38.9	0	0	0	110.4	P378 S401 V416	P378-N404 WeakPolarHBondContact CG-OD1 3.47Å; S401-N404 WeakPolarHBondContact CA-O 3.3Å; S401-N404 WeakPolarHBondContact CB-O 3.5Å; S401-N404 PolarHBondContact N-O 2.79Å; S401-N404 PolarHBondContact OG-N 3.42Å; S401-N404 PolarHBondContact OG-O 3.4Å; N404-V416 CarbonylContact C-O 3.56Å; N404-V416 VanDerWaalsContact CA-O 3.28Å; N404-V416 WeakPolarHBondContact CA-O 3.3Å
405	A	85.2	Confident	82.4	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.2	165.8	0	0	0	0	0	109	S399 V400 V407 S415 V416 V418 L421	S399-A405 CarbonylContact O-C 3.17Å; S399-A405 VanDerWaalsContact O-CA 3.28Å; S399-A405 WeakPolarHBondContact O-CA 3.43Å; V400-A405 HydrophobicContact CB-CB 4.44Å; V400-A405 HydrophobicContact CG2-CB 4.23Å; A405-V407 HydrophobicContact CB-CG2 4.25Å; A405-S415 WeakPolarHBondContact O-CA 2.91Å; A405-V416 PolarHBondContact N-O 2.78Å; A405-V416 PolarHBondContact O-N 2.65Å; A405-V418 HydrophobicContact CB-CG2 4.4Å; A405-L421 HydrophobicContact CB-CD1 3.67Å
406	T	88.9	Confident	82.6	Confident	27 Å²	27	52.3 Å²	52.3	17%	0.166	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.5	164.9	-56	0	0	0	0	107.6	V398 S399 E413 W414 S415	V398-T406 HydrophobicContact CB-CG2 4.23Å; V398-T406 PolarHBondContact N-O 2.79Å; S399-T406 PolarHBondContact N-O 2.77Å; S399-T406 PolarHBondContact O-N 2.7Å; S399-T406 VanDerWaalsContact OG-CB 3.27Å; S399-T406 WeakPolarHBondContact OG-CB 3.49Å; S399-T406 PolarHBondContact OG-OG1 2.87Å; T406-E413 HydrophobicContact CG2-CB 3.85Å; T406-W414 CarbonylContact C-O 3.57Å; T406-W414 WeakPolarHBondContact CA-O 3.25Å; T406-S415 PolarHBondContact OG1-OG 3.27Å
407	V	87.1	Confident	82.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.1	-177.4	-179	0	0	0	0	108.8	V364 I366 Q396 I397 A405 I409 W414 V416 L421	V364-V407 HydrophobicContact CG2-CG1 3.93Å; V364-V407 HydrophobicContact CG2-CG2 3.93Å; I366-V407 HydrophobicContact CD1-CG1 4.3Å; Q396-V407 CarbonylContact O-C 3.5Å; Q396-V407 WeakPolarHBondContact O-CA 3.43Å; I397-V407 HydrophobicContact CG1-CG2 4.48Å; A405-V407 HydrophobicContact CB-CG2 4.25Å; V407-I409 HydrophobicContact CG1-CG1 4.11Å; V407-W414 PolarHBondContact N-O 3.28Å; V407-W414 PolarHBondContact O-N 3.45Å; V407-V416 HydrophobicContact CB-CG2 4.4Å; V407-V416 HydrophobicContact CG2-CG2 3.75Å; V407-L421 HydrophobicContact CG2-CD1 3.94Å; V407-L421 HydrophobicContact CG2-CD2 4.1Å
408	R	87	Confident	82.6	Confident	95 Å²	95	52.5 Å²	52.5	36%	0.358	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123.2	172.8	-171.7	178.6	-59.5	123.7	0.9	109.7	G395 Q396 V398 S410 A412 E413	G395-R408 CarbonylContact C-O 3.55Å; G395-R408 WeakPolarHBondContact CA-O 3.04Å; Q396-R408 PolarHBondContact N-O 3.18Å; Q396-R408 PolarHBondContact O-N 2.94Å; V398-R408 HydrophobicContact CG2-CB 3.58Å; R408-S410 WeakPolarHBondContact CG-O 3.35Å; R408-A412 CarbonylContact C-O 3.51Å; R408-A412 WeakPolarHBondContact CA-O 3.34Å; R408-E413 HydrophobicContact CB-CG 4.22Å; R408-E413 HydrophobicContact CG-CG 4.23Å; R408-E413 IonicContact CZ-OE1 2.73Å; R408-E413 IonicContact NE-OE1 2.65Å; R408-E413 PolarHBondContact NE-OE1 3.21Å; R408-E413 IonicContact NH2-OE1 3.31Å; R408-E413 PolarHBondContact NH2-OE1 2.88Å
409	I	82.1	Confident	82.5	Confident	10 Å²	10	52.9 Å²	52.9	5%	0.051	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	115.4	176.1	-50.4	168.5	0	0	0	106.6	I366 I390 K393 V407 D411 A412 W414	I366-I409 HydrophobicContact CD1-CD1 3.27Å; I366-I409 HydrophobicContact CD1-CG1 4.12Å; I390-I409 HydrophobicContact CB-CD1 3.59Å; I390-I409 HydrophobicContact CG2-CD1 3.5Å; I390-I409 VanDerWaalsContact CG2-CD1 3.5Å; K393-I409 HydrophobicContact CB-CG2 4.08Å; K393-I409 HydrophobicContact CD-CG2 3.75Å; V407-I409 HydrophobicContact CG1-CG1 4.11Å; I409-D411 PolarHBondContact O-N 2.71Å; I409-A412 PolarHBondContact N-O 2.71Å; I409-A412 PolarHBondContact O-N 2.76Å; I409-A412 VanDerWaalsContact O-N 3.15Å; I409-W414 HydrophobicContact CD1-CB 4.5Å; I409-W414 HydrophobicContact CD1-CG 4.12Å
410	S	77.1	Confident	82.6	Confident	99 Å²	99	50.5 Å²	50.5	69%	0.692	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	-122.1	-167.8	-53.8	0	0	0	0	110.6	R408	R408-S410 WeakPolarHBondContact CG-O 3.35Å
411	D	75.3	Confident	82.7	Confident	172 Å²	172	48.8 Å²	48.8	92%	0.92	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	7.6	-178.5	-57	-38.5	0	0	0	113.1	I409	I409-D411 PolarHBondContact O-N 2.71Å
412	A	75.1	Confident	83	Confident	36 Å²	36	48.7 Å²	48.7	30%	0.298	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.2	-177.9	0	0	0	0	0	111.8	R408 I409	R408-A412 CarbonylContact C-O 3.51Å; R408-A412 WeakPolarHBondContact CA-O 3.34Å; I409-A412 PolarHBondContact N-O 2.71Å; I409-A412 PolarHBondContact O-N 2.76Å; I409-A412 VanDerWaalsContact O-N 3.15Å
413	E	85.6	Confident	83.3	Confident	89 Å²	89	45.1 Å²	45.1	42%	0.416	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.2	178.2	-65.7	-171.6	172.5	0	0	110.7	V398 T406 R408	V398-E413 HydrophobicContact CG2-CG 4.36Å; T406-E413 HydrophobicContact CG2-CB 3.85Å; R408-E413 HydrophobicContact CB-CG 4.22Å; R408-E413 HydrophobicContact CG-CG 4.23Å; R408-E413 IonicContact CZ-OE1 2.73Å; R408-E413 IonicContact NE-OE1 2.65Å; R408-E413 PolarHBondContact NE-OE1 3.21Å; R408-E413 IonicContact NH2-OE1 3.31Å; R408-E413 PolarHBondContact NH2-OE1 2.88Å
414	W	82.9	Confident	82.9	Confident	30 Å²	30	46 Å²	46	11%	0.114	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.4	-174.1	-63.3	82.8	0	0	0	109.7	H383 I390 T406 V407 I409	H383-W414 HydrophobicContact CB-CE3 3.79Å; H383-W414 HydrophobicContact CB-CH2 3.7Å; H383-W414 HydrophobicContact CB-CZ3 3.29Å; H383-W414 WeakPolarHBondContact O-CZ3 3.39Å; I390-W414 HydrophobicContact CD1-CB 4.37Å; I390-W414 HydrophobicContact CD1-CD2 4.16Å; I390-W414 HydrophobicContact CD1-CE3 3.87Å; I390-W414 HydrophobicContact CD1-CG 4.38Å; I390-W414 HydrophobicContact CD1-CZ3 4.48Å; I390-W414 HydrophobicContact CG2-CD2 3.49Å; I390-W414 VanDerWaalsContact CG2-CD2 3.49Å; I390-W414 HydrophobicContact CG2-CE3 3.86Å; I390-W414 HydrophobicContact CG2-CG 3.94Å; I390-W414 HydrophobicContact CG2-CH2 4Å; I390-W414 HydrophobicContact CG2-CZ2 3.67Å; I390-W414 HydrophobicContact CG2-CZ3 4.08Å; T406-W414 CarbonylContact C-O 3.57Å; T406-W414 WeakPolarHBondContact CA-O 3.25Å; V407-W414 PolarHBondContact N-O 3.28Å; V407-W414 PolarHBondContact O-N 3.45Å; I409-W414 HydrophobicContact CD1-CB 4.5Å; I409-W414 HydrophobicContact CD1-CG 4.12Å
415	S	85.2	Confident	81.1	Confident	52 Å²	52	50.8 Å²	50.8	36%	0.364	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.9	171.7	-66.1	0	0	0	0	109.3	T377 A405 T406	T377-S415 WeakPolarHBondContact CG2-O 3.4Å; A405-S415 WeakPolarHBondContact O-CA 2.91Å; T406-S415 PolarHBondContact OG1-OG 3.27Å
416	V	84.6	Confident	78.9	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.5	-178.5	-67	0	0	0	0	110.4	I390 N404 A405 V407 V420 L421	I390-V416 HydrophobicContact CD1-CG1 3.92Å; N404-V416 CarbonylContact C-O 3.56Å; N404-V416 VanDerWaalsContact CA-O 3.28Å; N404-V416 WeakPolarHBondContact CA-O 3.3Å; A405-V416 PolarHBondContact N-O 2.78Å; A405-V416 PolarHBondContact O-N 2.65Å; V407-V416 HydrophobicContact CB-CG2 4.4Å; V407-V416 HydrophobicContact CG2-CG2 3.75Å; V416-V420 HydrophobicContact CB-CG2 3.9Å; V416-V420 HydrophobicContact CG2-CG2 4.38Å; V416-L421 HydrophobicContact CG2-CD1 4.21Å; V416-L421 HydrophobicContact CG2-CD2 3.78Å; V416-L421 HydrophobicContact CG2-CG 4.17Å
417	S	84.9	Confident	76	Confident	22 Å²	22	65.9 Å²	65.9	15%	0.154	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	144.3	175.1	161.1	0	0	0	0	111.6	C376 S403 G419 V420	C376-S417 WeakPolarHBondContact O-CB 3.3Å; S403-S417 CarbonylContact O-C 3.57Å; S403-S417 VanDerWaalsContact O-CA 3.26Å; S403-S417 WeakPolarHBondContact O-CA 3.45Å; S417-G419 PolarHBondContact O-N 2.77Å; S417-G419 PolarHBondContact OG-N 3.04Å; S417-G419 VanDerWaalsContact OG-N 3.16Å; S417-V420 WeakPolarHBondContact O-CG2 3.49Å; S417-V420 PolarHBondContact O-N 2.91Å; S417-V420 VanDerWaalsContact O-N 3.14Å
418	V	86.5	Confident	73.2	Confident	27 Å²	27	73.4 Å²	73.4	16%	0.164	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-58	-30	174.9	169.9	0	0	0	0	111.4	L358 V400 S403 A405 V420 L421	L358-V418 HydrophobicContact CD1-CG1 3.81Å; V400-V418 HydrophobicContact CG2-CG2 4.27Å; S403-V418 PolarHBondContact O-N 3.06Å; A405-V418 HydrophobicContact CB-CG2 4.4Å; V418-V420 PolarHBondContact O-N 3.42Å; V418-L421 WeakPolarHBondContact O-CB 3.35Å; V418-L421 PolarHBondContact O-N 3.27Å; V418-L421 VanDerWaalsContact O-N 3.12Å
419	G	83.6	Confident	70.3	Confident	50 Å²	50	75 Å²	75	52%	0.515	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-71.6	-10.3	-180	0	0	0	0	0	115.5	S417	S417-G419 PolarHBondContact O-N 2.77Å; S417-G419 PolarHBondContact OG-N 3.04Å; S417-G419 VanDerWaalsContact OG-N 3.16Å
420	V	87.9	Confident	67.6	Low	5 Å²	5	76.7 Å²	76.7	3%	0.03	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-100.8	6.1	172.7	-62.6	0	0	0	0	112.6	S367 K372 L373 C376 V416 S417 V418	S367-V420 PolarHBondContact N-O 3.28Å; K372-V420 HydrophobicContact CD-CG1 4.46Å; K372-V420 HydrophobicContact CG-CG1 4.06Å; L373-V420 HydrophobicContact CD2-CB 3.83Å; L373-V420 HydrophobicContact CD2-CG1 4.12Å; L373-V420 HydrophobicContact CD2-CG2 3.73Å; C376-V420 HydrophobicContact CB-CG1 3.74Å; V416-V420 HydrophobicContact CB-CG2 3.9Å; V416-V420 HydrophobicContact CG2-CG2 4.38Å; S417-V420 WeakPolarHBondContact O-CG2 3.49Å; S417-V420 PolarHBondContact O-N 2.91Å; S417-V420 VanDerWaalsContact O-N 3.14Å; V418-V420 PolarHBondContact O-N 3.42Å
421	L	88.5	Confident	65.3	Low	21 Å²	21	82 Å²	82	11%	0.11	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141	179.3	-60.8	-179	0	0	0	110.7	L358 V364 I366 A405 V407 V416 V418	L358-L421 HydrophobicContact CD1-CB 4Å; L358-L421 HydrophobicContact CD1-CD1 4.06Å; V364-L421 HydrophobicContact CB-CB 4.25Å; V364-L421 HydrophobicContact CB-CD2 4.16Å; V364-L421 HydrophobicContact CG1-CB 4.37Å; V364-L421 HydrophobicContact CG2-CD1 4.14Å; V364-L421 HydrophobicContact CG2-CD2 3.78Å; V364-L421 HydrophobicContact CG2-CG 4.41Å; I366-L421 HydrophobicContact CG1-CD2 3.84Å; A405-L421 HydrophobicContact CB-CD1 3.67Å; V407-L421 HydrophobicContact CG2-CD1 3.94Å; V407-L421 HydrophobicContact CG2-CD2 4.1Å; V416-L421 HydrophobicContact CG2-CD1 4.21Å; V416-L421 HydrophobicContact CG2-CD2 3.78Å; V416-L421 HydrophobicContact CG2-CG 4.17Å; V418-L421 WeakPolarHBondContact O-CB 3.35Å; V418-L421 PolarHBondContact O-N 3.27Å; V418-L421 VanDerWaalsContact O-N 3.12Å
422	S	83.9	Confident	63.2	Low	56 Å²	56	76.9 Å²	76.9	39%	0.392	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.5	172.4	55.7	0	0	0	0	110	R365	R365-S422 PolarHBondContact N-O 3.38Å; R365-S422 PolarHBondContact O-N 2.82Å; R365-S422 PolarHBondContact O-OG 3.13Å
423	K	77.1	Confident	61.1	Low	66 Å²	66	79 Å²	79	29%	0.287	42%	0.415	S	S	.	.			trans	-70.9	134.8	165.1	-79.5	-170.6	155.8	176.8	0	108.5	Q357 L358 D362 T425	Q357-K423 HydrophobicContact CB-CD 4.49Å; Q357-K423 WeakPolarHBondContact O-CE 3.45Å; Q357-K423 PolarHBondContact O-NZ 2.83Å; L358-K423 HydrophobicContact CD2-CD 4.4Å; L358-K423 HydrophobicContact CD2-CG 3.92Å; D362-K423 WeakPolarHBondContact OD1-CE 3.33Å; D362-K423 IonicContact OD1-NZ 3.29Å; D362-K423 PolarHBondContact OD1-NZ 3.25Å; D362-K423 WeakPolarHBondContact OD2-CE 3.26Å; D362-K423 IonicContact OD2-NZ 2.8Å; D362-K423 PolarHBondContact OD2-NZ 3.49Å; K423-T425 PolarHBondContact O-N 2.73Å
424	P	69.5	Low	58.4	Low	58 Å²	58	83 Å²	83	38%	0.377	43%	0.427	S	S	.	.			trans	-59	124.7	178.4	-6.8	11.5	0	0	0	111.1	V363 Y394 R426	V363-P424 WeakPolarHBondContact O-CD 3.35Å; Y394-P424 HydrophobicContact CD1-CG 4.39Å; Y394-P424 HydrophobicContact CE1-CB 4.21Å; Y394-P424 HydrophobicContact CE1-CG 3.98Å; P424-R426 VanDerWaalsContact C-N 3.27Å; P424-R426 PolarHBondContact O-N 3.29Å
425	T	44.6	Very low	55.8	Low	149 Å²	149	89.5 Å²	89.5	91%	0.914	46%	0.464	S	S	*	.	S	Bend	trans	-82.9	13.1	-175.1	38.6	0	0	0	0	115.2	K423	K423-T425 PolarHBondContact O-N 2.73Å
426	R	40.1	Very low	53	Low	221 Å²	221	96.2 Å²	96.2	83%	0.834	49%	0.486	S	S	*	.	S	Bend	trans	-119.4	122	168.3	-87.8	-177.4	167.7	166	-3	109.2	P424 L428	P424-R426 VanDerWaalsContact C-N 3.27Å; P424-R426 PolarHBondContact O-N 3.29Å; R426-L428 VanDerWaalsContact C-N 3.32Å; R426-L428 PolarHBondContact O-N 3.43Å
427	V	27.2	Very low	50.3	Low	125 Å²	125	101.6 Å²	101.6	76%	0.758	52%	0.521	S	S	*	.			trans	-48.9	90.5	177.4	-173.8	0	0	0	0	110.2	N429	V427-N429 VanDerWaalsContact C-N 3.29Å; V427-N429 HydrophobicContact CG1-CB 4.31Å; V427-N429 PolarHBondContact O-N 2.96Å
428	L	29	Very low	47.7	Very low	157 Å²	157	110.3 Å²	110.3	82%	0.822	56%	0.556	S	S	*	*			trans	-89.5	82.6	149.6	-78	169.1	0	0	0	105.6	R426 S430	R426-L428 VanDerWaalsContact C-N 3.32Å; R426-L428 PolarHBondContact O-N 3.43Å; L428-S430 PolarHBondContact O-N 3.16Å
429	N	25.2	Very low	44.9	Very low	129 Å²	129	121.3 Å²	121.3	69%	0.69	60%	0.595	S	S	*	*			trans	-47.4	130.1	156	-92.3	-12.4	0	0	0	107.9	V427	V427-N429 VanDerWaalsContact C-N 3.29Å; V427-N429 HydrophobicContact CG1-CB 4.31Å; V427-N429 PolarHBondContact O-N 2.96Å
430	S	25.4	Very low	42.3	Very low	46 Å²	46	122.4 Å²	122.4	32%	0.322	61%	0.606	S	S	.	*			trans	56.1	89.2	163	-59.8	0	0	0	0	116.8	L428 V483	L428-S430 PolarHBondContact O-N 3.16Å; S430-V483 PolarHBondContact OG-N 3.45Å
431	R	30	Very low	39.5	Very low	209 Å²	209	129.6 Å²	129.6	79%	0.789	64%	0.644	S	S	*	*			trans	-141.8	88.2	139.6	-73.9	-161.8	176.8	174.4	-1.1	110.7	I433	R431-I433 PolarHBondContact O-N 3Å
432	R	30.1	Very low	36.6	Very low	66 Å²	66	134 Å²	134	25%	0.249	67%	0.674	C	S	.	*			trans	-43.3	124.1	154.7	-104	160.2	155.5	-170.7	-15.2	108.6	Y434 N481 I513 D515	R432-Y434 PolarHBondContact O-N 3.37Å; R432-N481 PolarHBondContact NH1-OD1 3.43Å; R432-I513 HydrophobicContact CB-CD1 4.31Å; R432-I513 HydrophobicContact CG-CD1 4.22Å; R432-I513 PolarHBondContact NH2-O 2.76Å; R432-D515 IonicContact NH2-OD1 2.89Å
433	I	31.3	Very low	34.1	Very low	81 Å²	81	140.1 Å²	140.1	42%	0.415	69%	0.694	S	S	.	*			trans	-67.3	118.9	177.9	-74.2	168.4	0	0	0	108.4	V363 Q396 R431 L435	V363-I433 HydrophobicContact CG2-CD1 3.78Å; Q396-I433 HydrophobicContact CB-CD1 3.93Å; Q396-I433 HydrophobicContact CG-CD1 3.66Å; Q396-I433 VanDerWaalsContact NE2-CD1 3.33Å; R431-I433 PolarHBondContact O-N 3Å; I433-L435 PolarHBondContact O-N 2.97Å
434	Y	29.7	Very low	32	Very low	171 Å²	171	145.3 Å²	145.3	67%	0.671	72%	0.717	S	S	*	*			trans	-55.8	115.4	174.9	-74	-101.1	0	0	0	111	R432 K436	R432-Y434 PolarHBondContact O-N 3.37Å; Y434-K436 PolarHBondContact O-N 3.01Å
435	L	27.9	Very low	30.3	Very low	167 Å²	167	147.6 Å²	147.6	87%	0.874	73%	0.732	S	S	*	*			trans	-71.8	111.9	142.5	-72.8	168.8	0	0	0	105.9	I433 P437	I433-L435 PolarHBondContact O-N 2.97Å; L435-P437 WeakPolarHBondContact O-CD 3.11Å; L435-P437 VanDerWaalsContact O-N 3.16Å
436	K	26	Very low	29.7	Very low	194 Å²	194	150.9 Å²	150.9	84%	0.843	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-50.6	121.6	173.8	-75.6	179	177.9	170.8	0	108.7	Y434 K438	Y434-K436 PolarHBondContact O-N 3.01Å; K436-K438 PolarHBondContact O-N 2.92Å
437	P	28.7	Very low	29.3	Very low	113 Å²	113	145.2 Å²	145.2	73%	0.734	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-59.3	131.9	163.4	-12.5	26.3	0	0	0	106.9	L435 R439	L435-P437 WeakPolarHBondContact O-CD 3.11Å; L435-P437 VanDerWaalsContact O-N 3.16Å; P437-R439 PolarHBondContact O-N 3.34Å; P437-R439 VanDerWaalsContact O-N 3.16Å
438	K	29.7	Very low	29.4	Very low	206 Å²	206	143.9 Å²	143.9	90%	0.896	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-50.5	126.6	165.3	-81.7	-175.5	174.6	179.8	0	107.6	K436 G440	K436-K438 PolarHBondContact O-N 2.92Å; K438-G440 PolarHBondContact O-N 3.06Å
439	R	28.5	Very low	29.4	Very low	258 Å²	258	143.1 Å²	143.1	97%	0.974	72%	0.718	S	S	*	*			trans	-38.4	119.2	178.1	-72.9	175	172	163.1	-3.9	111	P437	P437-R439 PolarHBondContact O-N 3.34Å; P437-R439 VanDerWaalsContact O-N 3.16Å
440	G	27	Very low	30	Very low	72 Å²	72	140.3 Å²	140.3	74%	0.742	72%	0.719	S	S	*	*			trans	-155.9	108.9	170.5	0	0	0	0	0	109.6	K438	K438-G440 PolarHBondContact O-N 3.06Å
441	N	29.4	Very low	30.9	Very low	156 Å²	156	140 Å²	140	83%	0.834	72%	0.717	S	S	*	*			trans	86.7	107.9	170.1	-122.5	0.8	0	0	0	119.3
442	P	28.2	Very low	31.8	Very low	113 Å²	113	133.7 Å²	133.7	73%	0.734	71%	0.705	S	S	*	*			trans	-97.8	84	176.8	36.6	-26.9	0	0	0	110.9
443	F	31.4	Very low	33.1	Very low	186 Å²	186	134.5 Å²	134.5	82%	0.816	72%	0.721	S	S	*	*			trans	-155.3	85.3	166.3	-95.1	-80.1	0	0	0	109.8
444	F	33	Very low	35.1	Very low	175 Å²	175	135.3 Å²	135.3	77%	0.768	73%	0.726	S	S	*	*			trans	-149.2	134.1	157.6	-99	-76.4	0	0	0	111.3
445	P	33.8	Very low	37.6	Very low	106 Å²	106	130.7 Å²	130.7	69%	0.688	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-76.3	149.9	178.4	-2.2	20.2	0	0	0	111.9	L447	P445-L447 PolarHBondContact O-N 3.09Å
446	F	31.5	Very low	40.2	Very low	218 Å²	218	122.9 Å²	122.9	96%	0.956	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-58.8	120	175.4	-117.7	-101.1	0	0	0	111.6
447	L	33	Very low	42.9	Very low	101 Å²	101	115.9 Å²	115.9	53%	0.529	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-98.7	146.7	168.1	-105.8	106.3	0	0	0	111.4	P445	P445-L447 PolarHBondContact O-N 3.09Å
448	P	29.4	Very low	45.7	Very low	97 Å²	97	112.6 Å²	112.6	63%	0.63	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-69	145.6	-177.5	26.8	-32.9	0	0	0	112.9	G450	P448-G450 PolarHBondContact O-N 3.18Å; P448-G450 VanDerWaalsContact O-N 3.17Å
449	P	28.6	Very low	48.6	Very low	142 Å²	142	102.8 Å²	102.8	92%	0.922	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	106.4	-177.4	29.2	-30.8	0	0	0	110.7
450	G	36.6	Very low	51.4	Low	70 Å²	70	91.1 Å²	91.1	72%	0.722	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	162.2	-13.6	175.7	0	0	0	0	0	116	P448	P448-G450 PolarHBondContact O-N 3.18Å; P448-G450 VanDerWaalsContact O-N 3.17Å
451	S	44.3	Very low	54.4	Low	39 Å²	39	92.3 Å²	92.3	27%	0.273	52%	0.515	S	S	.	.			trans	-95.4	-11.2	-174.6	58.3	0	0	0	0	115.6	S453 N454 Y455	S451-S453 PolarHBondContact O-N 2.96Å; S451-N454 PolarHBondContact O-N 3.25Å; S451-Y455 VanDerWaalsContact O-CD2 3.26Å; S451-Y455 WeakPolarHBondContact O-CD2 3.2Å
452	S	50.1	Low	57.3	Low	76 Å²	76	84.9 Å²	84.9	53%	0.531	48%	0.476	S	S	.	.	H	α-helix	trans	-71.5	-29.5	-167.5	64.5	0	0	0	0	115.3	N454 Y455 A456	S452-N454 VanDerWaalsContact C-N 3.26Å; S452-N454 PolarHBondContact O-N 2.85Å; S452-Y455 PolarHBondContact O-N 2.7Å; S452-A456 PolarHBondContact O-N 3.06Å
453	S	56.2	Low	60.3	Low	84 Å²	84	79.5 Å²	79.5	59%	0.587	44%	0.441	S	S	*	.	H	α-helix	trans	-67.5	-28.8	179.6	70.8	0	0	0	0	112.5	S451 T457	S451-S453 PolarHBondContact O-N 2.96Å; S453-T457 PolarHBondContact O-N 3.33Å; S453-T457 PolarHBondContact O-OG1 2.87Å
454	N	74.8	Confident	63.1	Low	98 Å²	98	74.2 Å²	74.2	52%	0.524	42%	0.42	S	S	.	.	H	α-helix	trans	-73.3	-47.3	178.8	-165.3	3.3	0	0	0	110.8	S451 S452 A456 T457 E458	S451-N454 PolarHBondContact O-N 3.25Å; S452-N454 VanDerWaalsContact C-N 3.26Å; S452-N454 PolarHBondContact O-N 2.85Å; N454-A456 VanDerWaalsContact C-N 3.34Å; N454-A456 PolarHBondContact O-N 3.16Å; N454-T457 PolarHBondContact O-N 3.03Å; N454-E458 WeakPolarHBondContact O-CB 3.06Å; N454-E458 WeakPolarHBondContact O-CG 3.48Å; N454-E458 PolarHBondContact O-N 3.01Å
455	Y	82.5	Confident	65.9	Low	73 Å²	73	72.2 Å²	72.2	29%	0.286	41%	0.412	S	S	.	.	H	α-helix	trans	-62.6	-39.7	179.5	-60.9	-56.7	0	0	0	112.9	S451 S452 E458 L459 L474 L477	S451-Y455 VanDerWaalsContact O-CD2 3.26Å; S451-Y455 WeakPolarHBondContact O-CD2 3.2Å; S452-Y455 PolarHBondContact O-N 2.7Å; Y455-E458 PolarHBondContact O-N 3.22Å; Y455-L459 WeakPolarHBondContact O-CB 2.96Å; Y455-L459 PolarHBondContact O-N 2.88Å; Y455-L474 HydrophobicContact CD1-CD2 3.71Å; Y455-L474 HydrophobicContact CG-CD2 4.47Å; Y455-L477 HydrophobicContact CD1-CD1 4.48Å; Y455-L477 HydrophobicContact CD2-CB 4.27Å; Y455-L477 HydrophobicContact CE1-CD1 4.25Å; Y455-L477 HydrophobicContact CG-CB 4.22Å
456	A	80.6	Confident	68.6	Low	3 Å²	3	68.3 Å²	68.3	3%	0.025	39%	0.392	C	S	.	.	H	α-helix	trans	-59.3	-46.5	174.3	0	0	0	0	0	112.5	S452 N454 L459 V460 S482 V484	S452-A456 PolarHBondContact O-N 3.06Å; N454-A456 VanDerWaalsContact C-N 3.34Å; N454-A456 PolarHBondContact O-N 3.16Å; A456-L459 PolarHBondContact O-N 3.45Å; A456-V460 PolarHBondContact O-N 2.95Å; A456-S482 WeakPolarHBondContact CB-OG 3.36Å; A456-V484 HydrophobicContact CB-CG1 3.62Å
457	T	84.6	Confident	71.6	Confident	48 Å²	48	61.1 Å²	61.1	29%	0.294	36%	0.363	S	S	.	.	H	α-helix	trans	-66.5	-43.9	-179.8	-55.9	0	0	0	0	110.9	S453 N454 L459 V460 K461	S453-T457 PolarHBondContact O-N 3.33Å; S453-T457 PolarHBondContact O-OG1 2.87Å; N454-T457 PolarHBondContact O-N 3.03Å; T457-L459 VanDerWaalsContact C-N 3.32Å; T457-L459 PolarHBondContact O-N 3.49Å; T457-V460 PolarHBondContact O-N 2.84Å; T457-K461 WeakPolarHBondContact O-CG 2.95Å; T457-K461 PolarHBondContact O-N 3.26Å
458	E	87.2	Confident	74.4	Confident	43 Å²	43	60.2 Å²	60.2	20%	0.201	36%	0.359	C	S	.	.	H	α-helix	trans	-66.2	-33.4	175.6	-70.9	-60.4	120	0	0	112.5	N454 Y455 K461 A462 K470 L474	N454-E458 WeakPolarHBondContact O-CB 3.06Å; N454-E458 WeakPolarHBondContact O-CG 3.48Å; N454-E458 PolarHBondContact O-N 3.01Å; Y455-E458 PolarHBondContact O-N 3.22Å; E458-K461 PolarHBondContact O-N 2.75Å; E458-K461 IonicContact OE1-NZ 2.77Å; E458-K461 PolarHBondContact OE1-NZ 3.41Å; E458-A462 VanDerWaalsContact O-CB 3.25Å; E458-A462 WeakPolarHBondContact O-CB 3.19Å; E458-A462 PolarHBondContact O-N 2.8Å; E458-K470 IonicContact OE2-NZ 2.71Å; E458-K470 PolarHBondContact OE2-NZ 3.4Å; E458-L474 HydrophobicContact CB-CD1 3.84Å
459	L	89.5	Confident	77.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-67.3	-40.3	174.5	178.3	62.2	0	0	0	110.6	Y455 A456 T457 A462 A463 C471 L474 A478 L480 P491 L507	Y455-L459 WeakPolarHBondContact O-CB 2.96Å; Y455-L459 PolarHBondContact O-N 2.88Å; A456-L459 PolarHBondContact O-N 3.45Å; T457-L459 VanDerWaalsContact C-N 3.32Å; T457-L459 PolarHBondContact O-N 3.49Å; L459-A462 PolarHBondContact O-N 3.27Å; L459-A463 WeakPolarHBondContact O-CB 3.37Å; L459-A463 PolarHBondContact O-N 2.84Å; L459-C471 HydrophobicContact CD1-CB 4.15Å; L459-L474 HydrophobicContact CB-CB 4.14Å; L459-L474 HydrophobicContact CB-CD1 4.25Å; L459-L474 HydrophobicContact CD1-CB 3.95Å; L459-A478 HydrophobicContact CB-CB 4.22Å; L459-A478 HydrophobicContact CD2-CB 3.8Å; L459-L480 HydrophobicContact CD2-CD2 3.73Å; L459-P491 HydrophobicContact CD2-CB 3.91Å; L459-P491 HydrophobicContact CD2-CG 3.68Å; L459-P491 HydrophobicContact CG-CB 3.96Å; L459-P491 HydrophobicContact CG-CG 3.94Å; L459-L507 HydrophobicContact CD2-CD2 4.46Å
460	V	88.2	Confident	80.3	Confident	13 Å²	13	55.6 Å²	55.6	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-64.3	-42.9	174.2	167	0	0	0	0	112.1	A456 T457 A463 M464 V484 M489 P491 A494	A456-V460 PolarHBondContact O-N 2.95Å; T457-V460 PolarHBondContact O-N 2.84Å; V460-A463 PolarHBondContact O-N 2.76Å; V460-M464 WeakPolarHBondContact O-CB 3.4Å; V460-M464 PolarHBondContact O-N 2.76Å; V460-V484 HydrophobicContact CB-CG2 3.68Å; V460-V484 HydrophobicContact CG1-CG2 3.98Å; V460-V484 HydrophobicContact CG2-CG2 3.23Å; V460-M489 HydrophobicContact CG1-CB 4.4Å; V460-M489 HydrophobicContact CG1-CG 3.47Å; V460-M489 VanDerWaalsContact CG1-CG 3.47Å; V460-P491 HydrophobicContact CG2-CB 4.37Å; V460-P491 HydrophobicContact CG2-CG 3.74Å; V460-A494 HydrophobicContact CG1-CB 4.16Å
461	K	88.6	Confident	82.8	Confident	97 Å²	97	52.4 Å²	52.4	42%	0.422	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-49.6	174.4	-68	176.5	-169.1	165	0	111.3	T457 E458 A463 M464 E465	T457-K461 WeakPolarHBondContact O-CG 2.95Å; T457-K461 PolarHBondContact O-N 3.26Å; E458-K461 PolarHBondContact O-N 2.75Å; E458-K461 IonicContact OE1-NZ 2.77Å; E458-K461 PolarHBondContact OE1-NZ 3.41Å; K461-A463 VanDerWaalsContact C-N 3.29Å; K461-A463 PolarHBondContact O-N 2.91Å; K461-M464 WeakPolarHBondContact O-CB 3.48Å; K461-M464 PolarHBondContact O-N 2.99Å; K461-M464 VanDerWaalsContact O-N 3.11Å; K461-E465 WeakPolarHBondContact O-CB 3.28Å; K461-E465 WeakPolarHBondContact O-CG 3.49Å; K461-E465 PolarHBondContact O-N 3.32Å
462	A	91.7	Very high	85	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60	-39.3	177.9	0	0	0	0	0	112.1	E458 L459 E465 G466 N467 K470 C471 L474	E458-A462 VanDerWaalsContact O-CB 3.25Å; E458-A462 WeakPolarHBondContact O-CB 3.19Å; E458-A462 PolarHBondContact O-N 2.8Å; L459-A462 PolarHBondContact O-N 3.27Å; A462-E465 PolarHBondContact O-N 2.77Å; A462-G466 PolarHBondContact O-N 2.84Å; A462-N467 HydrophobicContact CB-CB 4.38Å; A462-N467 PolarHBondContact O-N 3.46Å; A462-K470 HydrophobicContact CB-CB 4Å; A462-K470 HydrophobicContact CB-CD 3.95Å; A462-K470 HydrophobicContact CB-CG 3.85Å; A462-C471 VanDerWaalsContact CB-SG 3.55Å; A462-L474 HydrophobicContact CB-CD1 4.47Å
463	A	91.8	Very high	86.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.2	-34.2	176.6	0	0	0	0	0	112.5	L459 V460 K461 C471 A494 A495 H500 I503	L459-A463 WeakPolarHBondContact O-CB 3.37Å; L459-A463 PolarHBondContact O-N 2.84Å; V460-A463 PolarHBondContact O-N 2.76Å; K461-A463 VanDerWaalsContact C-N 3.29Å; K461-A463 PolarHBondContact O-N 2.91Å; A463-C471 PolarHBondContact N-SG 2.95Å; A463-C471 VanDerWaalsContact N-SG 3.41Å; A463-A494 HydrophobicContact CB-CB 4.01Å; A463-A495 HydrophobicContact CB-CB 4.4Å; A463-H500 PolarHBondContact O-CD2 3.36Å; A463-I503 HydrophobicContact CB-CG2 4.09Å
464	M	90.1	Very high	88.4	Confident	76 Å²	76	49.4 Å²	49.4	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-72	-42.7	175	-165.4	72.2	74.6	0	0	111.7	V460 K461 G466 M489 A494 I497 H500	V460-M464 WeakPolarHBondContact O-CB 3.4Å; V460-M464 PolarHBondContact O-N 2.76Å; K461-M464 WeakPolarHBondContact O-CB 3.48Å; K461-M464 PolarHBondContact O-N 2.99Å; K461-M464 VanDerWaalsContact O-N 3.11Å; M464-G466 VanDerWaalsContact C-N 3.3Å; M464-G466 PolarHBondContact O-N 3.31Å; M464-M489 HydrophobicContact CE-CG 4.41Å; M464-M489 HydrophobicContact CE-SD 3.5Å; M464-M489 WeakPolarHBondContact CE-SD 3.29Å; M464-A494 HydrophobicContact CB-CB 4.35Å; M464-A494 HydrophobicContact CE-CB 3.85Å; M464-A494 HydrophobicContact SD-CB 4.37Å; M464-I497 HydrophobicContact SD-CG2 4.26Å; M464-H500 PolarHBondContact O-NE2 3.01Å
465	E	90.7	Very high	88.9	Confident	132 Å²	132	45.1 Å²	45.1	62%	0.617	25%	0.25	S	C	*	.	H	α-helix	trans	-74.7	-15.7	-178.6	-70.7	168.6	-172.5	0	0	113.6	K461 A462	K461-E465 WeakPolarHBondContact O-CB 3.28Å; K461-E465 WeakPolarHBondContact O-CG 3.49Å; K461-E465 PolarHBondContact O-N 3.32Å; A462-E465 PolarHBondContact O-N 2.77Å
466	G	91.6	Very high	88.9	Confident	25 Å²	25	45.3 Å²	45.3	26%	0.258	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	17.2	-176.9	0	0	0	0	0	114.2	A462 M464 L468 H500	A462-G466 PolarHBondContact O-N 2.84Å; M464-G466 VanDerWaalsContact C-N 3.3Å; M464-G466 PolarHBondContact O-N 3.31Å; G466-L468 PolarHBondContact O-N 2.76Å; G466-H500 WeakPolarHBondContact CA-CE1 3.3Å; G466-H500 WeakPolarHBondContact CA-ND1 3.12Å; G466-H500 VanDerWaalsContact CA-NE2 3.34Å; G466-H500 WeakPolarHBondContact CA-NE2 3.41Å; G466-H500 PolarHBondContact N-NE2 2.79Å
467	N	93.1	Very high	89	Confident	66 Å²	66	48.8 Å²	48.8	35%	0.353	28%	0.277	S	S	.	.			trans	-78.1	84.4	-178.9	-168.7	-27.3	0	0	0	111.2	A462 A469 K470 C471	A462-N467 HydrophobicContact CB-CB 4.38Å; A462-N467 PolarHBondContact O-N 3.46Å; N467-A469 VanDerWaalsContact C-N 3.32Å; N467-A469 PolarHBondContact O-N 2.85Å; N467-A469 PolarHBondContact OD1-N 3.25Å; N467-K470 HydrophobicContact CB-CB 4.02Å; N467-K470 PolarHBondContact O-N 2.94Å; N467-K470 WeakPolarHBondContact OD1-CB 3.32Å; N467-K470 PolarHBondContact OD1-N 2.93Å; N467-C471 PolarHBondContact O-N 3.22Å; N467-C471 PolarHBondContact O-SG 2.91Å
468	L	92.1	Very high	88.6	Confident	83 Å²	83	47 Å²	47	44%	0.435	27%	0.267	S	S	.	.	H	α-helix	trans	-55.1	-44.9	-178.6	-169.7	74	0	0	0	112.5	G466 K470 C471 S472 I503 I506	G466-L468 PolarHBondContact O-N 2.76Å; L468-K470 PolarHBondContact O-N 2.77Å; L468-C471 PolarHBondContact O-N 3.22Å; L468-S472 PolarHBondContact O-N 3.25Å; L468-S472 PolarHBondContact O-OG 2.72Å; L468-I503 HydrophobicContact CD1-CG1 3.79Å; L468-I506 HydrophobicContact CD1-CD1 3.46Å; L468-I506 VanDerWaalsContact CD1-CD1 3.46Å; L468-I506 HydrophobicContact CG-CD1 4.12Å
469	A	91.6	Very high	88	Confident	75 Å²	75	48.1 Å²	48.1	62%	0.62	27%	0.274	S	S	*	.	H	α-helix	trans	-62.9	-45	-178.8	0	0	0	0	0	111.7	N467 S472 S473	N467-A469 VanDerWaalsContact C-N 3.32Å; N467-A469 PolarHBondContact O-N 2.85Å; N467-A469 PolarHBondContact OD1-N 3.25Å; A469-S472 PolarHBondContact O-N 2.86Å; A469-S473 PolarHBondContact O-N 2.8Å; A469-S473 VanDerWaalsContact O-N 3.13Å
470	K	90.9	Very high	87.5	Confident	67 Å²	67	48.8 Å²	48.8	29%	0.291	28%	0.277	S	S	.	.	H	α-helix	trans	-65.7	-42.9	176.9	-170.1	170.5	175.6	-175.8	0	110.9	E458 A462 N467 L468 S472 S473 L474	E458-K470 IonicContact OE2-NZ 2.71Å; E458-K470 PolarHBondContact OE2-NZ 3.4Å; A462-K470 HydrophobicContact CB-CB 4Å; A462-K470 HydrophobicContact CB-CD 3.95Å; A462-K470 HydrophobicContact CB-CG 3.85Å; N467-K470 HydrophobicContact CB-CB 4.02Å; N467-K470 PolarHBondContact O-N 2.94Å; N467-K470 WeakPolarHBondContact OD1-CB 3.32Å; N467-K470 PolarHBondContact OD1-N 2.93Å; L468-K470 PolarHBondContact O-N 2.77Å; K470-S472 PolarHBondContact O-N 3.01Å; K470-S473 PolarHBondContact O-N 3.18Å; K470-S473 PolarHBondContact O-OG 3.43Å; K470-L474 HydrophobicContact CD-CD1 4.47Å; K470-L474 HydrophobicContact CG-CD1 3.74Å; K470-L474 HydrophobicContact CG-CG 4.33Å; K470-L474 WeakPolarHBondContact O-CB 3.32Å; K470-L474 VanDerWaalsContact O-CG 3.3Å; K470-L474 WeakPolarHBondContact O-CG 3.18Å; K470-L474 PolarHBondContact O-N 3.26Å
471	C	89.7	Confident	86.8	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.014	28%	0.281	C	S	.	.	H	α-helix	trans	-59	-45.7	173.9	-74.8	0	0	0	0	112.8	L459 A462 A463 N467 L468 S473 L474 V475 I503	L459-C471 HydrophobicContact CD1-CB 4.15Å; A462-C471 VanDerWaalsContact CB-SG 3.55Å; A463-C471 PolarHBondContact N-SG 2.95Å; A463-C471 VanDerWaalsContact N-SG 3.41Å; N467-C471 PolarHBondContact O-N 3.22Å; N467-C471 PolarHBondContact O-SG 2.91Å; L468-C471 PolarHBondContact O-N 3.22Å; C471-S473 PolarHBondContact O-N 3.13Å; C471-L474 PolarHBondContact O-N 2.97Å; C471-V475 WeakPolarHBondContact O-CB 3.47Å; C471-V475 PolarHBondContact O-N 2.82Å; C471-I503 HydrophobicContact CB-CD1 4.47Å; C471-I503 HydrophobicContact CB-CG1 4.27Å; C471-I503 HydrophobicContact CB-CG2 4.08Å
472	S	90.4	Very high	85.9	Confident	55 Å²	55	45.6 Å²	45.6	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-34	176.4	-62	0	0	0	0	112.9	L468 A469 K470 V475 I506	L468-S472 PolarHBondContact O-N 3.25Å; L468-S472 PolarHBondContact O-OG 2.72Å; A469-S472 PolarHBondContact O-N 2.86Å; K470-S472 PolarHBondContact O-N 3.01Å; S472-V475 WeakPolarHBondContact O-CG1 3.26Å; S472-I506 VanDerWaalsContact OG-CD1 3.29Å; S472-I506 WeakPolarHBondContact OG-CD1 3.45Å
473	S	88.9	Confident	84.7	Confident	67 Å²	67	48.7 Å²	48.7	47%	0.469	29%	0.285	S	S	.	.	H	α-helix	trans	-76.9	-33.6	176.5	72.5	0	0	0	0	113	A469 K470 C471 T476	A469-S473 PolarHBondContact O-N 2.8Å; A469-S473 VanDerWaalsContact O-N 3.13Å; K470-S473 PolarHBondContact O-N 3.18Å; K470-S473 PolarHBondContact O-OG 3.43Å; C471-S473 PolarHBondContact O-N 3.13Å; S473-T476 PolarHBondContact O-OG1 3.46Å
474	L	88.2	Confident	83.4	Confident	14 Å²	14	50.8 Å²	50.8	7%	0.073	30%	0.297	C	S	.	.	H	α-helix	trans	-87.5	-25.6	-175.3	-69.5	175.8	0	0	0	113.3	Y455 E458 L459 A462 K470 C471 T476 L477 A478	Y455-L474 HydrophobicContact CD1-CD2 3.71Å; Y455-L474 HydrophobicContact CG-CD2 4.47Å; E458-L474 HydrophobicContact CB-CD1 3.84Å; L459-L474 HydrophobicContact CB-CB 4.14Å; L459-L474 HydrophobicContact CB-CD1 4.25Å; L459-L474 HydrophobicContact CD1-CB 3.95Å; A462-L474 HydrophobicContact CB-CD1 4.47Å; K470-L474 HydrophobicContact CD-CD1 4.47Å; K470-L474 HydrophobicContact CG-CD1 3.74Å; K470-L474 HydrophobicContact CG-CG 4.33Å; K470-L474 WeakPolarHBondContact O-CB 3.32Å; K470-L474 VanDerWaalsContact O-CG 3.3Å; K470-L474 WeakPolarHBondContact O-CG 3.18Å; K470-L474 PolarHBondContact O-N 3.26Å; C471-L474 PolarHBondContact O-N 2.97Å; L474-T476 PolarHBondContact O-N 3.29Å; L474-L477 PolarHBondContact O-N 2.91Å; L474-A478 WeakPolarHBondContact O-CB 3.37Å; L474-A478 PolarHBondContact O-N 3.13Å
475	V	84.3	Confident	82	Confident	8 Å²	8	49.6 Å²	49.6	5%	0.048	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.9	-177.4	74.1	0	0	0	0	112.7	C471 S472 L480 I506 L507 H510	C471-V475 WeakPolarHBondContact O-CB 3.47Å; C471-V475 PolarHBondContact O-N 2.82Å; S472-V475 WeakPolarHBondContact O-CG1 3.26Å; V475-L480 HydrophobicContact CB-CD2 4.21Å; V475-L480 HydrophobicContact CG2-CD1 4Å; V475-L480 HydrophobicContact CG2-CD2 3.42Å; V475-L480 VanDerWaalsContact CG2-CD2 3.42Å; V475-L480 HydrophobicContact CG2-CG 4.34Å; V475-I506 HydrophobicContact CB-CG2 4.15Å; V475-I506 HydrophobicContact CG1-CG2 3.93Å; V475-I506 HydrophobicContact CG2-CG2 3.98Å; V475-L507 HydrophobicContact CG2-CD2 4.36Å; V475-H510 HydrophobicContact CG2-CB 3.65Å
476	T	83.4	Confident	80.4	Confident	78 Å²	78	53 Å²	53	48%	0.479	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-14.3	177.9	57.3	0	0	0	0	113.1	S473 L474	S473-T476 PolarHBondContact O-OG1 3.46Å; L474-T476 PolarHBondContact O-N 3.29Å
477	L	81.7	Confident	78.8	Confident	76 Å²	76	60 Å²	60	40%	0.398	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-31.8	-174.6	-59.1	177	0	0	0	113	Y455 L474	Y455-L477 HydrophobicContact CD1-CD1 4.48Å; Y455-L477 HydrophobicContact CD2-CB 4.27Å; Y455-L477 HydrophobicContact CE1-CD1 4.25Å; Y455-L477 HydrophobicContact CG-CB 4.22Å; L474-L477 PolarHBondContact O-N 2.91Å
478	A	77.4	Confident	77.6	Confident	11 Å²	11	58.5 Å²	58.5	9%	0.091	34%	0.335	C	S	.	.	S	Bend	trans	-91.9	149.7	-176	0	0	0	0	0	112.3	L459 L474 L480	L459-A478 HydrophobicContact CB-CB 4.22Å; L459-A478 HydrophobicContact CD2-CB 3.8Å; L474-A478 WeakPolarHBondContact O-CB 3.37Å; L474-A478 PolarHBondContact O-N 3.13Å; A478-L480 PolarHBondContact O-N 2.96Å
479	D	75.4	Confident	77	Confident	65 Å²	65	55.6 Å²	55.6	35%	0.348	32%	0.32	S	S	.	.			trans	-71.8	108	162.8	179.1	2.1	0	0	0	109.3	N481 S482	D479-N481 PolarHBondContact O-N 3.08Å; D479-N481 VanDerWaalsContact O-N 3.09Å; D479-N481 PolarHBondContact OD1-N 3.03Å; D479-S482 WeakPolarHBondContact O-CB 3.5Å; D479-S482 PolarHBondContact O-N 3.32Å; D479-S482 VanDerWaalsContact O-N 3.12Å; D479-S482 PolarHBondContact O-OG 3.16Å
480	L	78.3	Confident	76.7	Confident	14 Å²	14	52.5 Å²	52.5	7%	0.073	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.3	-178.3	-53.8	-174.9	0	0	0	113.9	L459 V475 A478 P491 L507 H510 C512	L459-L480 HydrophobicContact CD2-CD2 3.73Å; V475-L480 HydrophobicContact CB-CD2 4.21Å; V475-L480 HydrophobicContact CG2-CD1 4Å; V475-L480 HydrophobicContact CG2-CD2 3.42Å; V475-L480 VanDerWaalsContact CG2-CD2 3.42Å; V475-L480 HydrophobicContact CG2-CG 4.34Å; A478-L480 PolarHBondContact O-N 2.96Å; L480-P491 WeakPolarHBondContact O-CD 3.42Å; L480-L507 HydrophobicContact CD2-CD2 4.08Å; L480-H510 HydrophobicContact CD1-CB 3.61Å; L480-H510 WeakPolarHBondContact CD1-O 3.5Å; L480-C512 HydrophobicContact CD1-CB 4.43Å
481	N	73.9	Confident	76.5	Confident	30 Å²	30	49.3 Å²	49.3	16%	0.16	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	3.6	-174.7	-63.3	-53.3	0	0	0	112.7	R432 D479 I513	R432-N481 PolarHBondContact NH1-OD1 3.43Å; D479-N481 PolarHBondContact O-N 3.08Å; D479-N481 VanDerWaalsContact O-N 3.09Å; D479-N481 PolarHBondContact OD1-N 3.03Å; N481-I513 PolarHBondContact OD1-N 2.99Å
482	S	69.8	Low	76.5	Confident	14 Å²	14	49.3 Å²	49.3	10%	0.098	28%	0.279	C	S	.	.			trans	-64.6	140.2	176	59.6	0	0	0	0	111.5	A456 D479	A456-S482 WeakPolarHBondContact CB-OG 3.36Å; D479-S482 WeakPolarHBondContact O-CB 3.5Å; D479-S482 PolarHBondContact O-N 3.32Å; D479-S482 VanDerWaalsContact O-N 3.12Å; D479-S482 PolarHBondContact O-OG 3.16Å
483	V	65.1	Low	76.4	Confident	65 Å²	65	48.4 Å²	48.4	39%	0.394	27%	0.268	S	S	.	.			trans	-101.2	117.4	173.8	178.9	0	0	0	0	106.9	S430 G488 T490	S430-V483 PolarHBondContact OG-N 3.45Å; V483-G488 VanDerWaalsContact CG1-CA 3.47Å; V483-T490 HydrophobicContact CG2-CG2 3.93Å
484	V	65.4	Low	76.4	Confident	43 Å²	43	45.2 Å²	45.2	26%	0.261	25%	0.246	S	C	.	.			trans	-112	-2.6	-167.6	-76	0	0	0	0	115.3	A456 V460 M489	A456-V484 HydrophobicContact CB-CG1 3.62Å; V460-V484 HydrophobicContact CB-CG2 3.68Å; V460-V484 HydrophobicContact CG1-CG2 3.98Å; V460-V484 HydrophobicContact CG2-CG2 3.23Å; V484-M489 WeakPolarHBondContact CG2-O 3.2Å; V484-M489 PolarHBondContact N-O 3.05Å
485	S	60.4	Low	76.6	Confident	51 Å²	51	44.5 Å²	44.5	36%	0.357	24%	0.243	S	C	.	.	S	Bend	trans	-135.2	160.6	175.5	67.4	0	0	0	0	111.9	K487 G488 M489	S485-K487 PolarHBondContact O-N 3.16Å; S485-K487 VanDerWaalsContact O-N 3.12Å; S485-G488 PolarHBondContact O-N 2.88Å; S485-M489 WeakPolarHBondContact OG-CB 3.36Å; S485-M489 PolarHBondContact OG-N 3.03Å
486	E	56.6	Low	77.1	Confident	205 Å²	205	44.2 Å²	44.2	96%	0.958	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.5	174.4	-64.2	-175.1	169	0	0	112.7	G488	E486-G488 VanDerWaalsContact C-N 3.25Å; E486-G488 PolarHBondContact O-N 2.95Å
487	K	58.9	Low	77.5	Confident	171 Å²	171	42.4 Å²	42.4	74%	0.743	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	11.4	175.6	-62.7	-171.9	178.6	-177.6	0	114.2	S485 M489	S485-K487 PolarHBondContact O-N 3.16Å; S485-K487 VanDerWaalsContact O-N 3.12Å; K487-M489 VanDerWaalsContact C-N 3.33Å; K487-M489 PolarHBondContact O-N 2.85Å
488	G	68.4	Low	77.9	Confident	34 Å²	34	40.1 Å²	40.1	35%	0.351	22%	0.222	S	C	.	.			trans	72.7	23.1	178.1	0	0	0	0	0	114.4	V483 S485 E486 T490	V483-G488 VanDerWaalsContact CG1-CA 3.47Å; S485-G488 PolarHBondContact O-N 2.88Å; E486-G488 VanDerWaalsContact C-N 3.25Å; E486-G488 PolarHBondContact O-N 2.95Å; G488-T490 PolarHBondContact O-N 2.94Å
489	M	78.2	Confident	78.6	Confident	23 Å²	23	40.5 Å²	40.5	11%	0.113	23%	0.227	C	C	.	.			trans	-68	124.5	-175.2	-165.5	80.6	-86	0	0	112	V460 M464 V484 S485 K487 K493 A494 I497	V460-M489 HydrophobicContact CG1-CB 4.4Å; V460-M489 HydrophobicContact CG1-CG 3.47Å; V460-M489 VanDerWaalsContact CG1-CG 3.47Å; M464-M489 HydrophobicContact CE-CG 4.41Å; M464-M489 HydrophobicContact CE-SD 3.5Å; M464-M489 WeakPolarHBondContact CE-SD 3.29Å; V484-M489 WeakPolarHBondContact CG2-O 3.2Å; V484-M489 PolarHBondContact N-O 3.05Å; S485-M489 WeakPolarHBondContact OG-CB 3.36Å; S485-M489 PolarHBondContact OG-N 3.03Å; K487-M489 VanDerWaalsContact C-N 3.33Å; K487-M489 PolarHBondContact O-N 2.85Å; M489-K493 HydrophobicContact CE-CB 3.22Å; M489-K493 HydrophobicContact CE-CD 3.69Å; M489-K493 HydrophobicContact CE-CG 3.23Å; M489-A494 HydrophobicContact CE-CB 4.18Å; M489-A494 VanDerWaalsContact CE-N 3.26Å; M489-A494 HydrophobicContact CG-CB 4.48Å; M489-A494 HydrophobicContact SD-CB 4.34Å; M489-I497 HydrophobicContact CE-CD1 4.01Å; M489-I497 HydrophobicContact SD-CD1 4.42Å
490	T	85	Confident	79.6	Confident	9 Å²	9	39.9 Å²	39.9	6%	0.055	22%	0.222	C	C	.	.			trans	-114.6	159.4	172.8	61.2	0	0	0	0	110.2	V483 G488 L492 K493 A494	V483-T490 HydrophobicContact CG2-CG2 3.93Å; G488-T490 PolarHBondContact O-N 2.94Å; T490-L492 PolarHBondContact O-N 2.74Å; T490-K493 PolarHBondContact O-N 2.78Å; T490-K493 VanDerWaalsContact O-N 3.14Å; T490-K493 WeakPolarHBondContact OG1-CB 3.29Å; T490-K493 PolarHBondContact OG1-N 2.79Å; T490-K493 VanDerWaalsContact OG1-N 3.11Å; T490-A494 WeakPolarHBondContact O-CB 3.34Å; T490-A494 PolarHBondContact O-N 2.81Å
491	P	86.4	Confident	80.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-53.7	-39	173.7	-28.4	35.4	0	0	0	112.5	L459 V460 L480 A494 A495 L507	L459-P491 HydrophobicContact CD2-CB 3.91Å; L459-P491 HydrophobicContact CD2-CG 3.68Å; L459-P491 HydrophobicContact CG-CB 3.96Å; L459-P491 HydrophobicContact CG-CG 3.94Å; V460-P491 HydrophobicContact CG2-CB 4.37Å; V460-P491 HydrophobicContact CG2-CG 3.74Å; L480-P491 WeakPolarHBondContact O-CD 3.42Å; P491-A494 PolarHBondContact O-N 3.1Å; P491-A495 WeakPolarHBondContact O-CB 3.16Å; P491-A495 PolarHBondContact O-N 2.85Å; P491-L507 HydrophobicContact CB-CD1 4.14Å; P491-L507 HydrophobicContact CB-CD2 4.02Å
492	L	89.9	Confident	81.2	Confident	2 Å²	2	41 Å²	41	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-53.4	175.9	-175.5	69.3	0	0	0	111.7	T490 A494 A495 I496 L504 I513 L514 V516 P524	T490-L492 PolarHBondContact O-N 2.74Å; L492-A494 VanDerWaalsContact C-N 3.28Å; L492-A494 PolarHBondContact O-N 2.94Å; L492-A495 PolarHBondContact O-N 3.05Å; L492-I496 HydrophobicContact CD1-CD1 4.14Å; L492-I496 HydrophobicContact CG-CD1 3.89Å; L492-I496 WeakPolarHBondContact O-CD1 3.27Å; L492-I496 VanDerWaalsContact O-CG1 3.22Å; L492-I496 WeakPolarHBondContact O-CG1 3.43Å; L492-I496 PolarHBondContact O-N 2.8Å; L492-L504 HydrophobicContact CD1-CD1 3.26Å; L492-I513 WeakPolarHBondContact CD2-O 3.42Å; L492-L514 HydrophobicContact CD1-CD2 3.57Å; L492-L514 HydrophobicContact CD2-CD2 3.88Å; L492-L514 HydrophobicContact CG-CD2 4.4Å; L492-V516 HydrophobicContact CD2-CG2 3.76Å; L492-P524 HydrophobicContact CD2-CB 4.45Å; L492-P524 HydrophobicContact CD2-CG 3.79Å
493	K	88.9	Confident	82.3	Confident	36 Å²	36	40.5 Å²	40.5	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-34.2	-178.6	-173.4	177.1	167.9	163.2	0	110.7	M489 T490 I496 I497 D518 I527	M489-K493 HydrophobicContact CE-CB 3.22Å; M489-K493 HydrophobicContact CE-CD 3.69Å; M489-K493 HydrophobicContact CE-CG 3.23Å; T490-K493 PolarHBondContact O-N 2.78Å; T490-K493 VanDerWaalsContact O-N 3.14Å; T490-K493 WeakPolarHBondContact OG1-CB 3.29Å; T490-K493 PolarHBondContact OG1-N 2.79Å; T490-K493 VanDerWaalsContact OG1-N 3.11Å; K493-I496 PolarHBondContact O-N 3.1Å; K493-I497 HydrophobicContact CG-CD1 3.92Å; K493-I497 HydrophobicContact CG-CG1 4.41Å; K493-I497 WeakPolarHBondContact O-CB 3.29Å; K493-I497 WeakPolarHBondContact O-CG1 3.2Å; K493-I497 PolarHBondContact O-N 3.05Å; K493-D518 VanDerWaalsContact NZ-CB 3.33Å; K493-D518 IonicContact NZ-OD2 3.95Å; K493-D518 PolarHBondContact NZ-OD2 2.82Å; K493-I527 HydrophobicContact CD-CD1 3.85Å; K493-I527 HydrophobicContact CG-CD1 3.76Å
494	A	89.6	Confident	83.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-46.2	175.6	0	0	0	0	0	112.4	V460 A463 M464 M489 T490 P491 L492 I496 I497 G498	V460-A494 HydrophobicContact CG1-CB 4.16Å; A463-A494 HydrophobicContact CB-CB 4.01Å; M464-A494 HydrophobicContact CB-CB 4.35Å; M464-A494 HydrophobicContact CE-CB 3.85Å; M464-A494 HydrophobicContact SD-CB 4.37Å; M489-A494 HydrophobicContact CE-CB 4.18Å; M489-A494 VanDerWaalsContact CE-N 3.26Å; M489-A494 HydrophobicContact CG-CB 4.48Å; M489-A494 HydrophobicContact SD-CB 4.34Å; T490-A494 WeakPolarHBondContact O-CB 3.34Å; T490-A494 PolarHBondContact O-N 2.81Å; P491-A494 PolarHBondContact O-N 3.1Å; L492-A494 VanDerWaalsContact C-N 3.28Å; L492-A494 PolarHBondContact O-N 2.94Å; A494-I496 VanDerWaalsContact C-N 3.29Å; A494-I496 PolarHBondContact O-N 3.32Å; A494-I497 PolarHBondContact O-N 3.26Å; A494-G498 PolarHBondContact O-N 2.9Å
495	A	92.7	Very high	84.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-37.3	176.1	0	0	0	0	0	112.2	A463 P491 L492 G499 H500 I503 L507	A463-A495 HydrophobicContact CB-CB 4.4Å; P491-A495 WeakPolarHBondContact O-CB 3.16Å; P491-A495 PolarHBondContact O-N 2.85Å; L492-A495 PolarHBondContact O-N 3.05Å; A495-G499 PolarHBondContact O-N 2.87Å; A495-G499 VanDerWaalsContact O-N 3.14Å; A495-H500 PolarHBondContact O-N 3.02Å; A495-I503 HydrophobicContact CB-CB 4.32Å; A495-I503 HydrophobicContact CB-CG2 3.91Å; A495-L507 HydrophobicContact CB-CD1 3.93Å
496	I	93	Very high	86.3	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-69.7	-49.4	177.1	-66.9	167.1	0	0	0	111	L492 K493 A494 G498 G499 L504 P524 I527 A528 H533 I536 L540	L492-I496 HydrophobicContact CD1-CD1 4.14Å; L492-I496 HydrophobicContact CG-CD1 3.89Å; L492-I496 WeakPolarHBondContact O-CD1 3.27Å; L492-I496 VanDerWaalsContact O-CG1 3.22Å; L492-I496 WeakPolarHBondContact O-CG1 3.43Å; L492-I496 PolarHBondContact O-N 2.8Å; K493-I496 PolarHBondContact O-N 3.1Å; A494-I496 VanDerWaalsContact C-N 3.29Å; A494-I496 PolarHBondContact O-N 3.32Å; I496-G498 VanDerWaalsContact C-N 3.29Å; I496-G498 PolarHBondContact O-N 2.86Å; I496-G499 PolarHBondContact O-N 2.79Å; I496-G499 VanDerWaalsContact O-N 3.12Å; I496-L504 HydrophobicContact CG1-CD1 4.39Å; I496-L504 HydrophobicContact CG1-CD2 4.47Å; I496-P524 HydrophobicContact CD1-CB 3.55Å; I496-P524 HydrophobicContact CD1-CG 4.41Å; I496-I527 HydrophobicContact CG2-CB 3.95Å; I496-I527 HydrophobicContact CG2-CG2 3.67Å; I496-A528 HydrophobicContact CG2-CB 4.21Å; I496-H533 PolarHBondContact O-CD2 2.85Å; I496-I536 HydrophobicContact CB-CG2 4.31Å; I496-I536 HydrophobicContact CG1-CG2 3.86Å; I496-I536 HydrophobicContact CG2-CG2 4.03Å; I496-L540 HydrophobicContact CD1-CD1 4.41Å
497	I	91.5	Very high	87.9	Confident	40 Å²	40	29.5 Å²	29.5	21%	0.205	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-44.2	178.6	-70.5	171.9	0	0	0	110.4	M464 M489 K493 A494 G499 I527 Y531 H533	M464-I497 HydrophobicContact SD-CG2 4.26Å; M489-I497 HydrophobicContact CE-CD1 4.01Å; M489-I497 HydrophobicContact SD-CD1 4.42Å; K493-I497 HydrophobicContact CG-CD1 3.92Å; K493-I497 HydrophobicContact CG-CG1 4.41Å; K493-I497 WeakPolarHBondContact O-CB 3.29Å; K493-I497 WeakPolarHBondContact O-CG1 3.2Å; K493-I497 PolarHBondContact O-N 3.05Å; A494-I497 PolarHBondContact O-N 3.26Å; I497-G499 VanDerWaalsContact C-N 3.27Å; I497-G499 PolarHBondContact O-N 2.85Å; I497-I527 HydrophobicContact CG1-CG2 4.05Å; I497-Y531 HydrophobicContact CB-CE2 4.32Å; I497-Y531 HydrophobicContact CG1-CD2 4.35Å; I497-Y531 HydrophobicContact CG1-CE2 3.66Å; I497-Y531 HydrophobicContact CG2-CE1 4.12Å; I497-Y531 HydrophobicContact CG2-CE2 4.35Å; I497-H533 PolarHBondContact O-NE2 2.98Å; I497-H533 VanDerWaalsContact O-NE2 3.12Å
498	G	90.5	Very high	89.3	Confident	28 Å²	28	23.3 Å²	23.3	29%	0.289	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-10	178.8	0	0	0	0	0	115.3	A494 I496 H500	A494-G498 PolarHBondContact O-N 2.9Å; I496-G498 VanDerWaalsContact C-N 3.29Å; I496-G498 PolarHBondContact O-N 2.86Å; G498-H500 VanDerWaalsContact C-N 3.29Å; G498-H500 PolarHBondContact O-CE1 3.42Å; G498-H500 PolarHBondContact O-N 2.81Å; G498-H500 PolarHBondContact O-NE2 3.02Å
499	G	92.7	Very high	90.2	Very high	19 Å²	19	27.7 Å²	27.7	20%	0.196	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	17.5	-178.9	0	0	0	0	0	114.5	A495 I496 I497 A501 H533	A495-G499 PolarHBondContact O-N 2.87Å; A495-G499 VanDerWaalsContact O-N 3.14Å; I496-G499 PolarHBondContact O-N 2.79Å; I496-G499 VanDerWaalsContact O-N 3.12Å; I497-G499 VanDerWaalsContact C-N 3.27Å; I497-G499 PolarHBondContact O-N 2.85Å; G499-A501 PolarHBondContact O-N 3.14Å; G499-H533 WeakPolarHBondContact CA-NE2 3.47Å; G499-H533 PolarHBondContact N-NE2 2.99Å
500	H	95.4	Very high	90.5	Very high	53 Å²	53	30.9 Å²	30.9	25%	0.245	17%	0.173	C	C	.	.			trans	-85.2	77	-170.7	-60.5	-58.9	0	0	0	112.2	A463 M464 G466 A495 G498 G502 I503 L504	A463-H500 PolarHBondContact O-CD2 3.36Å; M464-H500 PolarHBondContact O-NE2 3.01Å; G466-H500 WeakPolarHBondContact CA-CE1 3.3Å; G466-H500 WeakPolarHBondContact CA-ND1 3.12Å; G466-H500 VanDerWaalsContact CA-NE2 3.34Å; G466-H500 WeakPolarHBondContact CA-NE2 3.41Å; G466-H500 PolarHBondContact N-NE2 2.79Å; A495-H500 PolarHBondContact O-N 3.02Å; G498-H500 VanDerWaalsContact C-N 3.29Å; G498-H500 PolarHBondContact O-CE1 3.42Å; G498-H500 PolarHBondContact O-N 2.81Å; G498-H500 PolarHBondContact O-NE2 3.02Å; H500-G502 VanDerWaalsContact C-N 3.27Å; H500-G502 PolarHBondContact O-N 2.98Å; H500-I503 HydrophobicContact CB-CB 4.04Å; H500-I503 HydrophobicContact CB-CD1 3.77Å; H500-I503 HydrophobicContact CB-CG1 4.06Å; H500-I503 PolarHBondContact O-N 3.12Å; H500-L504 PolarHBondContact O-N 2.83Å
501	A	93.1	Very high	90.1	Very high	26 Å²	26	33 Å²	33	22%	0.215	20%	0.196	C	C	.	.	H	α-helix	trans	-57	-35	-175.9	0	0	0	0	0	114.2	G499 L504 K505 I536 L539	G499-A501 PolarHBondContact O-N 3.14Å; A501-L504 PolarHBondContact O-N 2.91Å; A501-K505 WeakPolarHBondContact O-CB 3.48Å; A501-K505 PolarHBondContact O-N 3.14Å; A501-I536 HydrophobicContact CB-CD1 4.16Å; A501-L539 HydrophobicContact CB-CD1 3.91Å; A501-L539 VanDerWaalsContact O-CD1 3.26Å; A501-L539 WeakPolarHBondContact O-CD1 3.47Å
502	G	93.3	Very high	89.8	Confident	41 Å²	41	33.4 Å²	33.4	42%	0.423	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-41.2	174.9	0	0	0	0	0	112.7	H500 K505 I506	H500-G502 VanDerWaalsContact C-N 3.27Å; H500-G502 PolarHBondContact O-N 2.98Å; G502-K505 PolarHBondContact O-N 3.04Å; G502-I506 WeakPolarHBondContact O-CG1 3.38Å; G502-I506 PolarHBondContact O-N 2.7Å
503	I	93.3	Very high	89.1	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-69.9	-43.3	177.2	-62	175.4	0	0	0	110	A463 L468 C471 A495 H500 K505 I506 L507	A463-I503 HydrophobicContact CB-CG2 4.09Å; L468-I503 HydrophobicContact CD1-CG1 3.79Å; C471-I503 HydrophobicContact CB-CD1 4.47Å; C471-I503 HydrophobicContact CB-CG1 4.27Å; C471-I503 HydrophobicContact CB-CG2 4.08Å; A495-I503 HydrophobicContact CB-CB 4.32Å; A495-I503 HydrophobicContact CB-CG2 3.91Å; H500-I503 HydrophobicContact CB-CB 4.04Å; H500-I503 HydrophobicContact CB-CD1 3.77Å; H500-I503 HydrophobicContact CB-CG1 4.06Å; H500-I503 PolarHBondContact O-N 3.12Å; I503-K505 VanDerWaalsContact C-N 3.29Å; I503-K505 PolarHBondContact O-N 3.16Å; I503-I506 PolarHBondContact O-N 2.88Å; I503-L507 HydrophobicContact CG2-CD1 4.18Å; I503-L507 HydrophobicContact CG2-CG 4.37Å; I503-L507 WeakPolarHBondContact O-CG 3.34Å; I503-L507 PolarHBondContact O-N 3.31Å
504	L	92.6	Very high	88.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-42.8	175.8	179.1	62.5	0	0	0	111.8	L492 I496 H500 A501 I506 L507 I508 I536 L539 L540	L492-L504 HydrophobicContact CD1-CD1 3.26Å; I496-L504 HydrophobicContact CG1-CD1 4.39Å; I496-L504 HydrophobicContact CG1-CD2 4.47Å; H500-L504 PolarHBondContact O-N 2.83Å; A501-L504 PolarHBondContact O-N 2.91Å; L504-I506 VanDerWaalsContact C-N 3.34Å; L504-I506 PolarHBondContact O-N 2.72Å; L504-L507 PolarHBondContact O-N 3.46Å; L504-I508 HydrophobicContact CD1-CD1 4.01Å; L504-I508 HydrophobicContact CD1-CG1 4.18Å; L504-I508 HydrophobicContact CD2-CD1 4.36Å; L504-I508 HydrophobicContact CG-CD1 3.78Å; L504-I508 HydrophobicContact CG-CG1 4.37Å; L504-I508 VanDerWaalsContact O-CG1 3.3Å; L504-I508 WeakPolarHBondContact O-CG1 3.45Å; L504-I508 PolarHBondContact O-N 3.24Å; L504-I536 HydrophobicContact CB-CD1 3.85Å; L504-I536 HydrophobicContact CD2-CB 4.24Å; L504-I536 HydrophobicContact CD2-CD1 3.52Å; L504-I536 HydrophobicContact CD2-CG1 4.46Å; L504-I536 HydrophobicContact CD2-CG2 3.67Å; L504-I536 HydrophobicContact CG-CD1 4.32Å; L504-L539 HydrophobicContact CB-CD1 4.36Å; L504-L539 HydrophobicContact CD2-CB 4.07Å; L504-L539 HydrophobicContact CD2-CD1 4.2Å; L504-L539 HydrophobicContact CG-CD1 4.38Å; L504-L540 HydrophobicContact CD2-CD2 4.27Å; L504-L540 HydrophobicContact CD2-CG 4.26Å
505	K	93	Very high	87.7	Confident	109 Å²	109	40 Å²	40	47%	0.474	24%	0.236	S	C	.	.	H	α-helix	trans	-58.4	-46.4	176.5	-177.3	176.9	171.9	-177	0	111.4	A501 G502 I503 L507 I508 E509 L539	A501-K505 WeakPolarHBondContact O-CB 3.48Å; A501-K505 PolarHBondContact O-N 3.14Å; G502-K505 PolarHBondContact O-N 3.04Å; I503-K505 VanDerWaalsContact C-N 3.29Å; I503-K505 PolarHBondContact O-N 3.16Å; K505-L507 PolarHBondContact O-N 3.36Å; K505-I508 PolarHBondContact O-N 2.68Å; K505-E509 WeakPolarHBondContact CE-OE1 3.48Å; K505-E509 HydrophobicContact CG-CG 4.49Å; K505-E509 WeakPolarHBondContact CG-OE1 3.46Å; K505-E509 IonicContact NZ-OE1 3.18Å; K505-E509 WeakPolarHBondContact O-CB 3.41Å; K505-E509 VanDerWaalsContact O-CG 3.31Å; K505-E509 WeakPolarHBondContact O-CG 3.26Å; K505-E509 PolarHBondContact O-N 3.17Å; K505-L539 HydrophobicContact CB-CD1 4.29Å
506	I	90.3	Very high	86.8	Confident	22 Å²	22	41.8 Å²	41.8	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-44.9	176	-68.3	168.6	0	0	0	111.1	L468 S472 V475 G502 I503 L504 I508 E509 H510	L468-I506 HydrophobicContact CD1-CD1 3.46Å; L468-I506 VanDerWaalsContact CD1-CD1 3.46Å; L468-I506 HydrophobicContact CG-CD1 4.12Å; S472-I506 VanDerWaalsContact OG-CD1 3.29Å; S472-I506 WeakPolarHBondContact OG-CD1 3.45Å; V475-I506 HydrophobicContact CB-CG2 4.15Å; V475-I506 HydrophobicContact CG1-CG2 3.93Å; V475-I506 HydrophobicContact CG2-CG2 3.98Å; G502-I506 WeakPolarHBondContact O-CG1 3.38Å; G502-I506 PolarHBondContact O-N 2.7Å; I503-I506 PolarHBondContact O-N 2.88Å; L504-I506 VanDerWaalsContact C-N 3.34Å; L504-I506 PolarHBondContact O-N 2.72Å; I506-I508 VanDerWaalsContact C-N 3.34Å; I506-I508 PolarHBondContact O-N 2.79Å; I506-E509 PolarHBondContact O-N 3.04Å; I506-H510 PolarHBondContact O-N 2.93Å; I506-H510 PolarHBondContact O-ND1 3.06Å
507	L	89.5	Confident	85.9	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-43.4	178.1	-68.4	174.1	0	0	0	111.5	L459 V475 L480 P491 A495 I503 L504 K505 H510 G511 C512	L459-L507 HydrophobicContact CD2-CD2 4.46Å; V475-L507 HydrophobicContact CG2-CD2 4.36Å; L480-L507 HydrophobicContact CD2-CD2 4.08Å; P491-L507 HydrophobicContact CB-CD1 4.14Å; P491-L507 HydrophobicContact CB-CD2 4.02Å; A495-L507 HydrophobicContact CB-CD1 3.93Å; I503-L507 HydrophobicContact CG2-CD1 4.18Å; I503-L507 HydrophobicContact CG2-CG 4.37Å; I503-L507 WeakPolarHBondContact O-CG 3.34Å; I503-L507 PolarHBondContact O-N 3.31Å; L504-L507 PolarHBondContact O-N 3.46Å; K505-L507 PolarHBondContact O-N 3.36Å; L507-H510 PolarHBondContact O-N 3.36Å; L507-G511 PolarHBondContact O-N 2.99Å; L507-C512 HydrophobicContact CB-CB 3.97Å; L507-C512 WeakPolarHBondContact O-CB 3.32Å; L507-C512 PolarHBondContact O-N 2.92Å
508	I	87.7	Confident	85.1	Confident	42 Å²	42	45.4 Å²	45.4	22%	0.215	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-46.3	176.7	-68.7	167.6	0	0	0	110.9	L504 K505 I506 H510 G511 L514 L539	L504-I508 HydrophobicContact CD1-CD1 4.01Å; L504-I508 HydrophobicContact CD1-CG1 4.18Å; L504-I508 HydrophobicContact CD2-CD1 4.36Å; L504-I508 HydrophobicContact CG-CD1 3.78Å; L504-I508 HydrophobicContact CG-CG1 4.37Å; L504-I508 VanDerWaalsContact O-CG1 3.3Å; L504-I508 WeakPolarHBondContact O-CG1 3.45Å; L504-I508 PolarHBondContact O-N 3.24Å; K505-I508 PolarHBondContact O-N 2.68Å; I506-I508 VanDerWaalsContact C-N 3.34Å; I506-I508 PolarHBondContact O-N 2.79Å; I508-H510 PolarHBondContact O-N 3.04Å; I508-G511 PolarHBondContact O-N 2.8Å; I508-L514 HydrophobicContact CD1-CD1 4.42Å; I508-L514 HydrophobicContact CG1-CD1 4.2Å; I508-L514 HydrophobicContact CG1-CD2 4Å; I508-L539 HydrophobicContact CD1-CB 4.36Å
509	E	88.1	Confident	84.3	Confident	125 Å²	125	52 Å²	52	58%	0.584	29%	0.292	S	S	*	.	H	α-helix	trans	-61.2	-30.1	179.3	-75.3	171.4	175.8	0	0	112.6	K505 I506 G511	K505-E509 WeakPolarHBondContact CE-OE1 3.48Å; K505-E509 HydrophobicContact CG-CG 4.49Å; K505-E509 WeakPolarHBondContact CG-OE1 3.46Å; K505-E509 IonicContact NZ-OE1 3.18Å; K505-E509 WeakPolarHBondContact O-CB 3.41Å; K505-E509 VanDerWaalsContact O-CG 3.31Å; K505-E509 WeakPolarHBondContact O-CG 3.26Å; K505-E509 PolarHBondContact O-N 3.17Å; I506-E509 PolarHBondContact O-N 3.04Å; E509-G511 VanDerWaalsContact C-N 3.33Å
510	H	84	Confident	83.3	Confident	90 Å²	90	52.8 Å²	52.8	42%	0.417	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	14.3	176.1	-66.6	74.6	0	0	0	113.7	V475 L480 I506 L507 I508	V475-H510 HydrophobicContact CG2-CB 3.65Å; L480-H510 HydrophobicContact CD1-CB 3.61Å; L480-H510 WeakPolarHBondContact CD1-O 3.5Å; I506-H510 PolarHBondContact O-N 2.93Å; I506-H510 PolarHBondContact O-ND1 3.06Å; L507-H510 PolarHBondContact O-N 3.36Å; I508-H510 PolarHBondContact O-N 3.04Å
511	G	76.5	Confident	82.5	Confident	53 Å²	53	50.7 Å²	50.7	55%	0.546	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	28.3	171.1	0	0	0	0	0	115.1	L507 I508 E509	L507-G511 PolarHBondContact O-N 2.99Å; I508-G511 PolarHBondContact O-N 2.8Å; E509-G511 VanDerWaalsContact C-N 3.33Å
512	C	79.4	Confident	82.1	Confident	10 Å²	10	50.1 Å²	50.1	7%	0.068	28%	0.28	C	S	.	.			trans	-61.3	136.1	172.5	-171.9	0	0	0	0	111.4	L480 L507	L480-C512 HydrophobicContact CD1-CB 4.43Å; L507-C512 HydrophobicContact CB-CB 3.97Å; L507-C512 WeakPolarHBondContact O-CB 3.32Å; L507-C512 PolarHBondContact O-N 2.92Å
513	I	75.1	Confident	81.8	Confident	53 Å²	53	51.9 Å²	51.9	27%	0.272	28%	0.275	S	S	.	.			trans	-82.3	122.2	-177.2	-60.6	165.9	0	0	0	109.8	R432 N481 L492 D515 V516	R432-I513 HydrophobicContact CB-CD1 4.31Å; R432-I513 HydrophobicContact CG-CD1 4.22Å; R432-I513 PolarHBondContact NH2-O 2.76Å; N481-I513 PolarHBondContact OD1-N 2.99Å; L492-I513 WeakPolarHBondContact CD2-O 3.42Å; I513-D515 WeakPolarHBondContact CG2-OD1 3.37Å; I513-V516 WeakPolarHBondContact O-CG2 3.31Å
514	L	79.2	Confident	81.7	Confident	26 Å²	26	52 Å²	52	14%	0.136	28%	0.275	C	S	.	.			trans	-97.1	-2.1	-170.7	-57.9	-179.9	0	0	0	115.9	L492 I508 P524 L540 V545	L492-L514 HydrophobicContact CD1-CD2 3.57Å; L492-L514 HydrophobicContact CD2-CD2 3.88Å; L492-L514 HydrophobicContact CG-CD2 4.4Å; I508-L514 HydrophobicContact CD1-CD1 4.42Å; I508-L514 HydrophobicContact CG1-CD1 4.2Å; I508-L514 HydrophobicContact CG1-CD2 4Å; L514-P524 WeakPolarHBondContact O-CD 3.44Å; L514-P524 WeakPolarHBondContact O-CG 3.48Å; L514-L540 HydrophobicContact CD1-CD2 4.39Å; L514-L540 HydrophobicContact CD2-CD2 4.1Å; L514-V545 HydrophobicContact CB-CG1 4.06Å; L514-V545 HydrophobicContact CD1-CG1 4.18Å
515	D	70.4	Confident	81.7	Confident	97 Å²	97	52.2 Å²	52.2	52%	0.519	28%	0.276	S	S	.	.			trans	-95.3	12.3	-177.3	65.4	-1.5	0	0	0	113.8	R432 I513 V517	R432-D515 IonicContact NH2-OD1 2.89Å; I513-D515 WeakPolarHBondContact CG2-OD1 3.37Å; D515-V517 PolarHBondContact O-N 2.84Å
516	V	73.4	Confident	81.7	Confident	38 Å²	38	47 Å²	47	23%	0.23	25%	0.254	C	S	.	.			trans	-65.4	128.8	-177.6	-123.4	0	0	0	0	111.2	L492 I513 R523 P524	L492-V516 HydrophobicContact CD2-CG2 3.76Å; I513-V516 WeakPolarHBondContact O-CG2 3.31Å; V516-R523 WeakPolarHBondContact O-CA 3.45Å; V516-P524 HydrophobicContact CG2-CG 4.35Å; V516-P524 VanDerWaalsContact O-CD 3.28Å; V516-P524 WeakPolarHBondContact O-CD 3.45Å
517	V	75.4	Confident	81.8	Confident	80 Å²	80	46.7 Å²	46.7	49%	0.485	25%	0.252	S	S	.	.			trans	-96	143.8	168.3	-66.2	0	0	0	0	109.9	D515 R523	D515-V517 PolarHBondContact O-N 2.84Å; V517-R523 HydrophobicContact CG1-CG 3.7Å
518	D	74.8	Confident	82	Confident	36 Å²	36	46.6 Å²	46.6	19%	0.193	25%	0.252	C	S	.	.			trans	-87.5	-175.2	166.3	70.6	13.9	0	0	0	112.2	K493 T520 G521 S522	K493-D518 VanDerWaalsContact NZ-CB 3.33Å; K493-D518 IonicContact NZ-OD2 3.95Å; K493-D518 PolarHBondContact NZ-OD2 2.82Å; D518-T520 PolarHBondContact O-N 3.24Å; D518-T520 VanDerWaalsContact O-N 3.08Å; D518-T520 WeakPolarHBondContact OD1-CA 3.24Å; D518-T520 PolarHBondContact OD1-N 2.91Å; D518-T520 PolarHBondContact OD1-OG1 2.95Å; D518-G521 WeakPolarHBondContact O-CA 3.47Å; D518-G521 PolarHBondContact O-N 3.07Å; D518-G521 PolarHBondContact OD1-N 3.17Å; D518-S522 PolarHBondContact N-O 3.15Å; D518-S522 VanDerWaalsContact N-O 3.08Å; D518-S522 VanDerWaalsContact OD1-CB 3.32Å; D518-S522 WeakPolarHBondContact OD1-CB 3.3Å; D518-S522 PolarHBondContact OD1-N 3.26Å
519	E	72.8	Confident	82.3	Confident	166 Å²	166	44.7 Å²	44.7	78%	0.776	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.1	179.6	65.2	-169.2	167.8	0	0	114.4	G521	E519-G521 VanDerWaalsContact C-N 3.34Å
520	T	73.1	Confident	82.6	Confident	36 Å²	36	41.9 Å²	41.9	22%	0.221	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1.9	176.7	69	0	0	0	0	113.1	D518 S522 R552 R553	D518-T520 PolarHBondContact O-N 3.24Å; D518-T520 VanDerWaalsContact O-N 3.08Å; D518-T520 WeakPolarHBondContact OD1-CA 3.24Å; D518-T520 PolarHBondContact OD1-N 2.91Å; D518-T520 PolarHBondContact OD1-OG1 2.95Å; T520-S522 WeakPolarHBondContact OG1-CB 2.97Å; T520-S522 PolarHBondContact OG1-OG 2.9Å; T520-R552 WeakPolarHBondContact O-CB 3.39Å; T520-R552 PolarHBondContact O-N 3.08Å; T520-R552 VanDerWaalsContact O-N 3.08Å; T520-R553 PolarHBondContact O-N 3.25Å; T520-R553 VanDerWaalsContact O-N 3.16Å
521	G	77.8	Confident	83	Confident	10 Å²	10	42.9 Å²	42.9	10%	0.103	23%	0.234	C	C	.	.			trans	75.2	11.7	-170.1	0	0	0	0	0	113.4	D518 E519 R523	D518-G521 WeakPolarHBondContact O-CA 3.47Å; D518-G521 PolarHBondContact O-N 3.07Å; D518-G521 PolarHBondContact OD1-N 3.17Å; E519-G521 VanDerWaalsContact C-N 3.34Å; G521-R523 PolarHBondContact O-N 3.49Å
522	S	84	Confident	83.7	Confident	13 Å²	13	41.1 Å²	41.1	9%	0.091	22%	0.217	C	C	.	.			trans	-80.4	118.7	-176.1	-65.4	0	0	0	0	110.8	D518 T520	D518-S522 PolarHBondContact N-O 3.15Å; D518-S522 VanDerWaalsContact N-O 3.08Å; D518-S522 VanDerWaalsContact OD1-CB 3.32Å; D518-S522 WeakPolarHBondContact OD1-CB 3.3Å; D518-S522 PolarHBondContact OD1-N 3.26Å; T520-S522 WeakPolarHBondContact OG1-CB 2.97Å; T520-S522 PolarHBondContact OG1-OG 2.9Å
523	R	88.5	Confident	84.4	Confident	79 Å²	79	43 Å²	43	30%	0.298	22%	0.224	S	C	.	.			trans	-74.2	164.9	170.3	-62.7	-177.2	-177.1	-117	2.6	112.5	V516 V517 G521 I525 H526 I527 A549	V516-R523 WeakPolarHBondContact O-CA 3.45Å; V517-R523 HydrophobicContact CG1-CG 3.7Å; G521-R523 PolarHBondContact O-N 3.49Å; R523-I525 HydrophobicContact CB-CG2 4.42Å; R523-I525 PolarHBondContact O-N 3.27Å; R523-I525 VanDerWaalsContact O-N 3.07Å; R523-H526 PolarHBondContact N-ND1 2.97Å; R523-H526 WeakPolarHBondContact O-CB 3.35Å; R523-H526 PolarHBondContact O-N 2.87Å; R523-I527 PolarHBondContact O-N 2.79Å; R523-A549 VanDerWaalsContact CD-CB 3.47Å
524	P	90.2	Very high	85.3	Confident	5 Å²	5	43 Å²	43	3%	0.032	22%	0.224	C	C	.	.	H	α-helix	trans	-52.7	-35.5	-179.3	-35.1	46.4	0	0	0	114.4	L492 I496 L514 V516 I527 A528 L540	L492-P524 HydrophobicContact CD2-CB 4.45Å; L492-P524 HydrophobicContact CD2-CG 3.79Å; I496-P524 HydrophobicContact CD1-CB 3.55Å; I496-P524 HydrophobicContact CD1-CG 4.41Å; L514-P524 WeakPolarHBondContact O-CD 3.44Å; L514-P524 WeakPolarHBondContact O-CG 3.48Å; V516-P524 HydrophobicContact CG2-CG 4.35Å; V516-P524 VanDerWaalsContact O-CD 3.28Å; V516-P524 WeakPolarHBondContact O-CD 3.45Å; P524-I527 PolarHBondContact O-N 2.98Å; P524-A528 WeakPolarHBondContact O-CB 3.35Å; P524-A528 PolarHBondContact O-N 3.29Å; P524-L540 HydrophobicContact CB-CD1 3.97Å; P524-L540 HydrophobicContact CB-CD2 4.13Å
525	I	92.1	Very high	86	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-34.1	177.8	-164.1	65.6	0	0	0	112.8	R523 A529 A537 L540 L541 V545 A558 L574	R523-I525 HydrophobicContact CB-CG2 4.42Å; R523-I525 PolarHBondContact O-N 3.27Å; R523-I525 VanDerWaalsContact O-N 3.07Å; I525-A529 WeakPolarHBondContact O-CB 3.44Å; I525-A529 PolarHBondContact O-N 3.35Å; I525-A537 HydrophobicContact CD1-CB 4.32Å; I525-L540 HydrophobicContact CB-CD1 4.5Å; I525-L540 HydrophobicContact CD1-CB 4.06Å; I525-L540 HydrophobicContact CD1-CD1 4.19Å; I525-L541 HydrophobicContact CD1-CD2 4.14Å; I525-L541 HydrophobicContact CD1-CG 4.18Å; I525-V545 HydrophobicContact CB-CG2 4.36Å; I525-V545 HydrophobicContact CD1-CG2 4.4Å; I525-V545 HydrophobicContact CG1-CG2 4.47Å; I525-A558 HydrophobicContact CG1-CB 3.86Å; I525-A558 HydrophobicContact CG2-CB 4.31Å; I525-L574 HydrophobicContact CD1-CD2 4.43Å; I525-L574 HydrophobicContact CG1-CD2 4.47Å
526	H	93.3	Very high	87.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.7	-44.9	173.2	-59.2	97.7	0	0	0	110.3	R523 A528 A529 V530 A549 E556 I561	R523-H526 PolarHBondContact N-ND1 2.97Å; R523-H526 WeakPolarHBondContact O-CB 3.35Å; R523-H526 PolarHBondContact O-N 2.87Å; H526-A528 VanDerWaalsContact C-N 3.35Å; H526-A528 PolarHBondContact O-N 3.01Å; H526-A529 CarbonylContact O-C 3.55Å; H526-A529 WeakPolarHBondContact O-CB 3.5Å; H526-A529 PolarHBondContact O-N 3.24Å; H526-A529 VanDerWaalsContact O-N 3.12Å; H526-V530 WeakPolarHBondContact O-CG2 3.46Å; H526-V530 PolarHBondContact O-N 3.2Å; H526-A549 PolarHBondContact CE1-O 2.84Å; H526-A549 PolarHBondContact NE2-O 3.19Å; H526-E556 PolarHBondContact CD2-O 3.49Å; H526-E556 PolarHBondContact NE2-O 2.94Å; H526-E556 VanDerWaalsContact NE2-O 3.13Å; H526-I561 HydrophobicContact CB-CD1 3.87Å
527	I	91.6	Very high	88.1	Confident	15 Å²	15	38 Å²	38	8%	0.077	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-46.6	178.9	-53.1	-179.9	0	0	0	109.3	K493 I496 I497 R523 P524 A529 V530 Y531	K493-I527 HydrophobicContact CD-CD1 3.85Å; K493-I527 HydrophobicContact CG-CD1 3.76Å; I496-I527 HydrophobicContact CG2-CB 3.95Å; I496-I527 HydrophobicContact CG2-CG2 3.67Å; I497-I527 HydrophobicContact CG1-CG2 4.05Å; R523-I527 PolarHBondContact O-N 2.79Å; P524-I527 PolarHBondContact O-N 2.98Å; I527-A529 PolarHBondContact O-N 3.35Å; I527-V530 PolarHBondContact O-N 2.88Å; I527-Y531 HydrophobicContact CG2-CD2 3.82Å; I527-Y531 HydrophobicContact CG2-CE2 3.73Å; I527-Y531 VanDerWaalsContact O-CD2 3.25Å; I527-Y531 WeakPolarHBondContact O-CD2 3.26Å; I527-Y531 PolarHBondContact O-N 3.11Å; I527-Y531 VanDerWaalsContact O-N 3.12Å
528	A	93.9	Very high	89	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.6	-40.6	174.3	0	0	0	0	0	112.4	I496 P524 H526 G532 H533 I536 A537 L540	I496-A528 HydrophobicContact CG2-CB 4.21Å; P524-A528 WeakPolarHBondContact O-CB 3.35Å; P524-A528 PolarHBondContact O-N 3.29Å; H526-A528 VanDerWaalsContact C-N 3.35Å; H526-A528 PolarHBondContact O-N 3.01Å; A528-G532 PolarHBondContact O-N 2.83Å; A528-H533 PolarHBondContact O-N 3.01Å; A528-H533 VanDerWaalsContact O-N 3.09Å; A528-I536 HydrophobicContact CB-CB 4.47Å; A528-I536 HydrophobicContact CB-CG2 3.7Å; A528-A537 HydrophobicContact CB-CB 4.43Å; A528-L540 HydrophobicContact CB-CD1 3.93Å
529	A	94.9	Very high	89.9	Confident	2 Å²	2	39.5 Å²	39.5	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-70	-39.1	177.1	0	0	0	0	0	113.5	I525 H526 I527 Y531 G532 A558 I561 R565 L570	I525-A529 WeakPolarHBondContact O-CB 3.44Å; I525-A529 PolarHBondContact O-N 3.35Å; H526-A529 CarbonylContact O-C 3.55Å; H526-A529 WeakPolarHBondContact O-CB 3.5Å; H526-A529 PolarHBondContact O-N 3.24Å; H526-A529 VanDerWaalsContact O-N 3.12Å; I527-A529 PolarHBondContact O-N 3.35Å; A529-Y531 VanDerWaalsContact C-N 3.31Å; A529-Y531 PolarHBondContact O-N 2.9Å; A529-G532 PolarHBondContact O-N 3.06Å; A529-A558 HydrophobicContact CB-CB 4.07Å; A529-I561 HydrophobicContact CB-CB 4.02Å; A529-I561 HydrophobicContact CB-CG2 3.9Å; A529-R565 WeakPolarHBondContact O-CD 3.34Å; A529-R565 PolarHBondContact O-NE 3.29Å; A529-L570 HydrophobicContact CB-CD2 3.88Å
530	V	93.6	Very high	90.8	Very high	67 Å²	67	31.6 Å²	31.6	41%	0.406	16%	0.164	S	C	.	.	H	α-helix	trans	-59.5	-43.3	176.2	169.1	0	0	0	0	110.9	H526 I527 I561 R565	H526-V530 WeakPolarHBondContact O-CG2 3.46Å; H526-V530 PolarHBondContact O-N 3.2Å; I527-V530 PolarHBondContact O-N 2.88Å; V530-I561 HydrophobicContact CB-CG2 4.35Å; V530-I561 HydrophobicContact CG2-CD1 4.09Å; V530-I561 HydrophobicContact CG2-CG2 3.76Å; V530-R565 VanDerWaalsContact O-CZ 3.26Å; V530-R565 PolarHBondContact O-NH1 3.46Å
531	Y	92.5	Very high	91.6	Very high	110 Å²	110	31.4 Å²	31.4	43%	0.431	16%	0.161	S	C	.	.	H	α-helix	trans	-86.1	-7.1	-179.6	-68.8	-81.9	0	0	0	113.9	I497 I527 A529 H533	I497-Y531 HydrophobicContact CB-CE2 4.32Å; I497-Y531 HydrophobicContact CG1-CD2 4.35Å; I497-Y531 HydrophobicContact CG1-CE2 3.66Å; I497-Y531 HydrophobicContact CG2-CE1 4.12Å; I497-Y531 HydrophobicContact CG2-CE2 4.35Å; I527-Y531 HydrophobicContact CG2-CD2 3.82Å; I527-Y531 HydrophobicContact CG2-CE2 3.73Å; I527-Y531 VanDerWaalsContact O-CD2 3.25Å; I527-Y531 WeakPolarHBondContact O-CD2 3.26Å; I527-Y531 PolarHBondContact O-N 3.11Å; I527-Y531 VanDerWaalsContact O-N 3.12Å; A529-Y531 VanDerWaalsContact C-N 3.31Å; A529-Y531 PolarHBondContact O-N 2.9Å; Y531-H533 VanDerWaalsContact C-N 3.29Å; Y531-H533 WeakPolarHBondContact CB-CD2 3Å; Y531-H533 PolarHBondContact O-N 3.37Å
532	G	92	Very high	92.2	Very high	17 Å²	17	39.1 Å²	39.1	18%	0.175	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	22	179.8	0	0	0	0	0	114.3	A528 A529 I534	A528-G532 PolarHBondContact O-N 2.83Å; A529-G532 PolarHBondContact O-N 3.06Å; G532-I534 PolarHBondContact O-N 3.31Å
533	H	93.8	Very high	92	Very high	50 Å²	50	40.6 Å²	40.6	23%	0.231	20%	0.202	C	C	.	.			trans	-81.2	84.1	-176.9	-67.9	-47.8	0	0	0	110.8	I496 I497 G499 A528 Y531 S535 I536 A537	I496-H533 PolarHBondContact O-CD2 2.85Å; I497-H533 PolarHBondContact O-NE2 2.98Å; I497-H533 VanDerWaalsContact O-NE2 3.12Å; G499-H533 WeakPolarHBondContact CA-NE2 3.47Å; G499-H533 PolarHBondContact N-NE2 2.99Å; A528-H533 PolarHBondContact O-N 3.01Å; A528-H533 VanDerWaalsContact O-N 3.09Å; Y531-H533 VanDerWaalsContact C-N 3.29Å; Y531-H533 WeakPolarHBondContact CB-CD2 3Å; Y531-H533 PolarHBondContact O-N 3.37Å; H533-S535 VanDerWaalsContact C-N 3.29Å; H533-S535 PolarHBondContact O-N 2.9Å; H533-I536 HydrophobicContact CB-CB 3.77Å; H533-I536 HydrophobicContact CB-CG1 3.71Å; H533-I536 WeakPolarHBondContact O-CB 3.44Å; H533-I536 PolarHBondContact O-N 3.11Å; H533-I536 VanDerWaalsContact O-N 3.1Å; H533-A537 PolarHBondContact O-N 3.42Å
534	I	93.6	Very high	91.2	Very high	51 Å²	51	43.8 Å²	43.8	26%	0.262	22%	0.218	S	C	.	.	H	α-helix	trans	-58.2	-39.3	-176.6	-60.8	157.5	0	0	0	111.9	G532 I536 A537 K538 P569 L570 L573	G532-I534 PolarHBondContact O-N 3.31Å; I534-I536 VanDerWaalsContact C-N 3.33Å; I534-I536 PolarHBondContact O-N 2.83Å; I534-A537 PolarHBondContact O-N 3.22Å; I534-K538 HydrophobicContact CG2-CD 4.36Å; I534-K538 HydrophobicContact CG2-CG 4.45Å; I534-K538 WeakPolarHBondContact O-CB 3.19Å; I534-K538 WeakPolarHBondContact O-CG 3.4Å; I534-K538 PolarHBondContact O-N 3.06Å; I534-P569 HydrophobicContact CD1-CB 3.58Å; I534-P569 HydrophobicContact CD1-CG 4.4Å; I534-P569 HydrophobicContact CG1-CB 4.5Å; I534-L570 HydrophobicContact CG1-CB 4.2Å; I534-L573 HydrophobicContact CG2-CD2 4.02Å
535	S	94.2	Very high	90.7	Very high	57 Å²	57	44.7 Å²	44.7	40%	0.399	22%	0.224	S	C	.	.	H	α-helix	trans	-63.1	-39.5	178	54.6	0	0	0	0	112.2	H533 L539	H533-S535 VanDerWaalsContact C-N 3.29Å; H533-S535 PolarHBondContact O-N 2.9Å; S535-L539 WeakPolarHBondContact O-CG 3.32Å; S535-L539 PolarHBondContact O-N 3.27Å
536	I	94.9	Very high	90.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-48.1	174	-65.3	-70	0	0	0	110.4	I496 A501 L504 A528 H533 I534 K538 L539 L540	I496-I536 HydrophobicContact CB-CG2 4.31Å; I496-I536 HydrophobicContact CG1-CG2 3.86Å; I496-I536 HydrophobicContact CG2-CG2 4.03Å; A501-I536 HydrophobicContact CB-CD1 4.16Å; L504-I536 HydrophobicContact CB-CD1 3.85Å; L504-I536 HydrophobicContact CD2-CB 4.24Å; L504-I536 HydrophobicContact CD2-CD1 3.52Å; L504-I536 HydrophobicContact CD2-CG1 4.46Å; L504-I536 HydrophobicContact CD2-CG2 3.67Å; L504-I536 HydrophobicContact CG-CD1 4.32Å; A528-I536 HydrophobicContact CB-CB 4.47Å; A528-I536 HydrophobicContact CB-CG2 3.7Å; H533-I536 HydrophobicContact CB-CB 3.77Å; H533-I536 HydrophobicContact CB-CG1 3.71Å; H533-I536 WeakPolarHBondContact O-CB 3.44Å; H533-I536 PolarHBondContact O-N 3.11Å; H533-I536 VanDerWaalsContact O-N 3.1Å; I534-I536 VanDerWaalsContact C-N 3.33Å; I534-I536 PolarHBondContact O-N 2.83Å; I536-K538 VanDerWaalsContact C-N 3.32Å; I536-K538 PolarHBondContact O-N 2.99Å; I536-L539 PolarHBondContact O-N 3.33Å; I536-L539 VanDerWaalsContact O-N 3.1Å; I536-L540 HydrophobicContact CG2-CD1 4.01Å; I536-L540 HydrophobicContact CG2-CG 4.4Å; I536-L540 WeakPolarHBondContact O-CG 3.43Å; I536-L540 PolarHBondContact O-N 3.01Å
537	A	93.9	Very high	89.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.2	-44.7	176.6	0	0	0	0	0	111.4	I525 A528 H533 I534 L539 L540 L541 L570 L573	I525-A537 HydrophobicContact CD1-CB 4.32Å; A528-A537 HydrophobicContact CB-CB 4.43Å; H533-A537 PolarHBondContact O-N 3.42Å; I534-A537 PolarHBondContact O-N 3.22Å; A537-L539 VanDerWaalsContact C-N 3.31Å; A537-L539 PolarHBondContact O-N 3.34Å; A537-L540 PolarHBondContact O-N 2.98Å; A537-L541 WeakPolarHBondContact O-CB 3.49Å; A537-L541 WeakPolarHBondContact O-CG 3.07Å; A537-L541 PolarHBondContact O-N 2.94Å; A537-L570 HydrophobicContact CB-CD1 3.57Å; A537-L573 HydrophobicContact CB-CD2 4.08Å
538	K	94.4	Very high	89.5	Confident	109 Å²	109	46.2 Å²	46.2	47%	0.474	23%	0.232	S	C	.	.	H	α-helix	trans	-55.9	-42.6	174.6	-76.9	-178.6	178.1	179.6	0	112.6	I534 I536 K542 L573	I534-K538 HydrophobicContact CG2-CD 4.36Å; I534-K538 HydrophobicContact CG2-CG 4.45Å; I534-K538 WeakPolarHBondContact O-CB 3.19Å; I534-K538 WeakPolarHBondContact O-CG 3.4Å; I534-K538 PolarHBondContact O-N 3.06Å; I536-K538 VanDerWaalsContact C-N 3.32Å; I536-K538 PolarHBondContact O-N 2.99Å; K538-K542 WeakPolarHBondContact O-CG 3.45Å; K538-K542 PolarHBondContact O-N 2.91Å; K538-L573 HydrophobicContact CB-CD2 4.36Å; K538-L573 HydrophobicContact CD-CD1 4.44Å; K538-L573 HydrophobicContact CD-CD2 4.42Å; K538-L573 HydrophobicContact CG-CD1 3.73Å; K538-L573 HydrophobicContact CG-CD2 3.39Å; K538-L573 HydrophobicContact CG-CG 4.2Å
539	L	92.6	Very high	89	Confident	39 Å²	39	46.5 Å²	46.5	20%	0.204	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-45	178.1	-73.1	173.5	0	0	0	111.6	A501 L504 K505 I508 S535 I536 A537 L541 K542 S543	A501-L539 HydrophobicContact CB-CD1 3.91Å; A501-L539 VanDerWaalsContact O-CD1 3.26Å; A501-L539 WeakPolarHBondContact O-CD1 3.47Å; L504-L539 HydrophobicContact CB-CD1 4.36Å; L504-L539 HydrophobicContact CD2-CB 4.07Å; L504-L539 HydrophobicContact CD2-CD1 4.2Å; L504-L539 HydrophobicContact CG-CD1 4.38Å; K505-L539 HydrophobicContact CB-CD1 4.29Å; I508-L539 HydrophobicContact CD1-CB 4.36Å; S535-L539 WeakPolarHBondContact O-CG 3.32Å; S535-L539 PolarHBondContact O-N 3.27Å; I536-L539 PolarHBondContact O-N 3.33Å; I536-L539 VanDerWaalsContact O-N 3.1Å; A537-L539 VanDerWaalsContact C-N 3.31Å; A537-L539 PolarHBondContact O-N 3.34Å; L539-L541 PolarHBondContact O-N 3.09Å; L539-K542 PolarHBondContact O-N 3.04Å; L539-S543 PolarHBondContact O-N 2.86Å; L539-S543 PolarHBondContact O-OG 2.86Å
540	L	91.4	Very high	88.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-43.9	178.6	-67.5	174.8	0	0	0	111.8	I496 L504 L514 P524 I525 A528 I536 A537 K542 S543 V545	I496-L540 HydrophobicContact CD1-CD1 4.41Å; L504-L540 HydrophobicContact CD2-CD2 4.27Å; L504-L540 HydrophobicContact CD2-CG 4.26Å; L514-L540 HydrophobicContact CD1-CD2 4.39Å; L514-L540 HydrophobicContact CD2-CD2 4.1Å; P524-L540 HydrophobicContact CB-CD1 3.97Å; P524-L540 HydrophobicContact CB-CD2 4.13Å; I525-L540 HydrophobicContact CB-CD1 4.5Å; I525-L540 HydrophobicContact CD1-CB 4.06Å; I525-L540 HydrophobicContact CD1-CD1 4.19Å; A528-L540 HydrophobicContact CB-CD1 3.93Å; I536-L540 HydrophobicContact CG2-CD1 4.01Å; I536-L540 HydrophobicContact CG2-CG 4.4Å; I536-L540 WeakPolarHBondContact O-CG 3.43Å; I536-L540 PolarHBondContact O-N 3.01Å; A537-L540 PolarHBondContact O-N 2.98Å; L540-K542 VanDerWaalsContact C-N 3.32Å; L540-K542 PolarHBondContact O-N 3.03Å; L540-S543 WeakPolarHBondContact O-CA 3.4Å; L540-S543 WeakPolarHBondContact O-CB 3.5Å; L540-S543 PolarHBondContact O-N 2.96Å; L540-V545 HydrophobicContact CB-CG1 4.33Å; L540-V545 HydrophobicContact CB-CG2 4.12Å; L540-V545 WeakPolarHBondContact O-CG1 3.21Å; L540-V545 WeakPolarHBondContact O-CG2 3.22Å
541	L	90.1	Very high	88.2	Confident	31 Å²	31	46.5 Å²	46.5	16%	0.162	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-37.3	178.9	-68.6	171	0	0	0	112.2	I525 A537 L539 S543 K544 V545 I547 L573 L574 A577	I525-L541 HydrophobicContact CD1-CD2 4.14Å; I525-L541 HydrophobicContact CD1-CG 4.18Å; A537-L541 WeakPolarHBondContact O-CB 3.49Å; A537-L541 WeakPolarHBondContact O-CG 3.07Å; A537-L541 PolarHBondContact O-N 2.94Å; L539-L541 PolarHBondContact O-N 3.09Å; L541-S543 PolarHBondContact O-N 3.03Å; L541-K544 PolarHBondContact O-N 3.14Å; L541-V545 HydrophobicContact CD2-CG2 4.42Å; L541-I547 HydrophobicContact CD2-CB 4.26Å; L541-I547 HydrophobicContact CD2-CD1 3.54Å; L541-I547 HydrophobicContact CD2-CG1 3.86Å; L541-L573 HydrophobicContact CD1-CD1 4.31Å; L541-L573 HydrophobicContact CD1-CD2 3.97Å; L541-L573 HydrophobicContact CD1-CG 3.77Å; L541-L574 HydrophobicContact CD1-CD2 4.24Å; L541-L574 HydrophobicContact CD2-CD2 4.33Å; L541-A577 HydrophobicContact CB-CB 4.49Å; L541-A577 HydrophobicContact CD1-CB 3.84Å; L541-A577 HydrophobicContact CD2-CB 4.06Å; L541-A577 HydrophobicContact CG-CB 4.35Å
542	K	89.8	Confident	87.7	Confident	173 Å²	173	49.6 Å²	49.6	75%	0.752	24%	0.238	S	C	*	.	H	α-helix	trans	-64.1	-26.5	172.6	-74.3	178.1	179.9	-173.3	0	113	K538 L539 L540 K544	K538-K542 WeakPolarHBondContact O-CG 3.45Å; K538-K542 PolarHBondContact O-N 2.91Å; L539-K542 PolarHBondContact O-N 3.04Å; L540-K542 VanDerWaalsContact C-N 3.32Å; L540-K542 PolarHBondContact O-N 3.03Å; K542-K544 VanDerWaalsContact C-N 3.27Å; K542-K544 PolarHBondContact O-N 3.15Å
543	S	80.1	Confident	87.2	Confident	43 Å²	43	57.2 Å²	57.2	30%	0.301	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	17	179.1	-59.2	0	0	0	0	114.2	L539 L540 L541 V545	L539-S543 PolarHBondContact O-N 2.86Å; L539-S543 PolarHBondContact O-OG 2.86Å; L540-S543 WeakPolarHBondContact O-CA 3.4Å; L540-S543 WeakPolarHBondContact O-CB 3.5Å; L540-S543 PolarHBondContact O-N 2.96Å; L541-S543 PolarHBondContact O-N 3.03Å; S543-V545 VanDerWaalsContact C-N 3.31Å; S543-V545 PolarHBondContact O-N 3.31Å
544	K	73	Confident	86.8	Confident	147 Å²	147	57.4 Å²	57.4	64%	0.639	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	35.2	176.7	-55.9	-168.9	178.7	-165.5	0	114.7	L541 K542	L541-K544 PolarHBondContact O-N 3.14Å; K542-K544 VanDerWaalsContact C-N 3.27Å; K542-K544 PolarHBondContact O-N 3.15Å
545	V	80	Confident	86.5	Confident	24 Å²	24	57.8 Å²	57.8	15%	0.145	27%	0.267	C	S	.	.			trans	-64.8	152	170.6	-60.8	0	0	0	0	110.9	L514 I525 L540 L541 S543 I547	L514-V545 HydrophobicContact CB-CG1 4.06Å; L514-V545 HydrophobicContact CD1-CG1 4.18Å; I525-V545 HydrophobicContact CB-CG2 4.36Å; I525-V545 HydrophobicContact CD1-CG2 4.4Å; I525-V545 HydrophobicContact CG1-CG2 4.47Å; L540-V545 HydrophobicContact CB-CG1 4.33Å; L540-V545 HydrophobicContact CB-CG2 4.12Å; L540-V545 WeakPolarHBondContact O-CG1 3.21Å; L540-V545 WeakPolarHBondContact O-CG2 3.22Å; L541-V545 HydrophobicContact CD2-CG2 4.42Å; S543-V545 VanDerWaalsContact C-N 3.31Å; S543-V545 PolarHBondContact O-N 3.31Å; V545-I547 PolarHBondContact O-N 3.13Å; V545-I547 VanDerWaalsContact O-N 3.13Å
546	D	78.4	Confident	86.4	Confident	28 Å²	28	56.4 Å²	56.4	15%	0.15	25%	0.254	C	S	.	.			trans	-69.3	107.5	171.5	179.5	10.1	0	0	0	110.8	Y194 Q202 N548 A549	Y194-D546 PolarHBondContact OH-OD1 2.92Å; Y194-D546 PolarHBondContact OH-OD2 3.49Å; Q202-D546 VanDerWaalsContact NE2-CA 3.27Å; D546-N548 VanDerWaalsContact C-N 3.33Å; D546-N548 PolarHBondContact OD1-N 3.08Å; D546-A549 HydrophobicContact CB-CB 4.08Å; D546-A549 VanDerWaalsContact CG-N 3.32Å; D546-A549 WeakPolarHBondContact O-CB 3.34Å; D546-A549 PolarHBondContact OD1-N 2.94Å; D546-A549 VanDerWaalsContact OD1-N 3.11Å; D546-A549 WeakPolarHBondContact OD2-CA 3.43Å; D546-A549 WeakPolarHBondContact OD2-CB 3.2Å; D546-A549 PolarHBondContact OD2-N 2.97Å
547	I	86.4	Confident	86.3	Confident	14 Å²	14	56.4 Å²	56.4	7%	0.072	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-26.4	-179.1	-164.7	169.2	0	0	0	112.8	L541 V545 L574 A577 A579	L541-I547 HydrophobicContact CD2-CB 4.26Å; L541-I547 HydrophobicContact CD2-CD1 3.54Å; L541-I547 HydrophobicContact CD2-CG1 3.86Å; V545-I547 PolarHBondContact O-N 3.13Å; V545-I547 VanDerWaalsContact O-N 3.13Å; I547-L574 HydrophobicContact CD1-CB 4.38Å; I547-L574 HydrophobicContact CD1-CD2 4.02Å; I547-L574 WeakPolarHBondContact CD1-O 3.01Å; I547-L574 HydrophobicContact CG1-CD2 3.96Å; I547-A577 HydrophobicContact CD1-CB 3.7Å; I547-A579 HydrophobicContact CD1-CB 3.7Å; I547-A579 HydrophobicContact CG1-CB 3.89Å
548	N	85.4	Confident	86.4	Confident	9 Å²	9	56.4 Å²	56.4	5%	0.048	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	6	-177.6	-68.5	-37.4	0	0	0	112.3	D546 R550 T557 H580 L583	D546-N548 VanDerWaalsContact C-N 3.33Å; D546-N548 PolarHBondContact OD1-N 3.08Å; N548-R550 PolarHBondContact O-N 2.86Å; N548-T557 WeakPolarHBondContact O-CG2 3.2Å; N548-H580 PolarHBondContact OD1-N 2.94Å; N548-L583 HydrophobicContact CB-CD1 3.9Å
549	A	83.7	Confident	86.4	Confident	6 Å²	6	51.3 Å²	51.3	5%	0.05	23%	0.232	C	C	.	.			trans	-52.3	141.5	170.8	0	0	0	0	0	110.1	R523 H526 D546 T557	R523-A549 VanDerWaalsContact CD-CB 3.47Å; H526-A549 PolarHBondContact CE1-O 2.84Å; H526-A549 PolarHBondContact NE2-O 3.19Å; D546-A549 HydrophobicContact CB-CB 4.08Å; D546-A549 VanDerWaalsContact CG-N 3.32Å; D546-A549 WeakPolarHBondContact O-CB 3.34Å; D546-A549 PolarHBondContact OD1-N 2.94Å; D546-A549 VanDerWaalsContact OD1-N 3.11Å; D546-A549 WeakPolarHBondContact OD2-CA 3.43Å; D546-A549 WeakPolarHBondContact OD2-CB 3.2Å; D546-A549 PolarHBondContact OD2-N 2.97Å; A549-T557 WeakPolarHBondContact O-CA 3.35Å
550	R	84.9	Confident	86.6	Confident	60 Å²	60	49.4 Å²	49.4	23%	0.226	22%	0.222	C	C	.	.			trans	-108.5	137.4	177.2	-64.9	-175.8	174.1	102.1	-18.8	110.5	N548 N555 E556 T557	N548-R550 PolarHBondContact O-N 2.86Å; R550-N555 WeakPolarHBondContact CB-OD1 3.41Å; R550-N555 VanDerWaalsContact CD-CG 3.42Å; R550-N555 WeakPolarHBondContact CD-O 3.19Å; R550-N555 WeakPolarHBondContact CD-OD1 3.21Å; R550-E556 CarbonylContact C-O 3.47Å; R550-E556 WeakPolarHBondContact CA-O 3.4Å; R550-T557 HydrophobicContact CG-CG2 3.82Å
551	N	86.2	Confident	86.8	Confident	8 Å²	8	50 Å²	50	4%	0.043	23%	0.225	C	C	.	.			trans	-69.9	154.3	171.2	70.2	26.1	0	0	0	110.7	N554 N555 E556	N551-N554 PolarHBondContact OD1-N 3.1Å; N551-N555 WeakPolarHBondContact O-CA 3.38Å; N551-N555 PolarHBondContact O-N 3.31Å; N551-N555 VanDerWaalsContact O-N 3.09Å; N551-N555 PolarHBondContact OD1-N 3.21Å; N551-N555 VanDerWaalsContact OD1-N 3.13Å; N551-E556 PolarHBondContact N-O 3.07Å; N551-E556 PolarHBondContact OD1-N 3.5Å; N551-E556 VanDerWaalsContact OD1-N 3.09Å
552	R	82.2	Confident	87.1	Confident	175 Å²	175	48.5 Å²	48.5	66%	0.66	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-31.4	-177.4	-174	-177.8	-72.6	-174.8	-8.3	111.8	E359 T520	E359-R552 IonicContact OE1-CZ 3.84Å; E359-R552 IonicContact OE1-NH1 3.64Å; E359-R552 IonicContact OE1-NH2 3.85Å; E359-R552 PolarHBondContact OE1-NH2 2.88Å; T520-R552 WeakPolarHBondContact O-CB 3.39Å; T520-R552 PolarHBondContact O-N 3.08Å; T520-R552 VanDerWaalsContact O-N 3.08Å
553	R	82.6	Confident	87.4	Confident	177 Å²	177	40.2 Å²	40.2	67%	0.668	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-49.6	-173.2	-169.1	-171.7	173.4	117.3	-0.5	113.1	T520	T520-R553 PolarHBondContact O-N 3.25Å; T520-R553 VanDerWaalsContact O-N 3.16Å
554	N	85.8	Confident	88	Confident	54 Å²	54	39.8 Å²	39.8	29%	0.289	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	1	-172.2	-61.9	-14.3	0	0	0	112.6	N551 E556 N585 I586	N551-N554 PolarHBondContact OD1-N 3.1Å; N554-E556 HydrophobicContact CB-CB 4.25Å; N554-E556 VanDerWaalsContact CB-CD 3.48Å; N554-E556 HydrophobicContact CB-CG 3.59Å; N554-E556 WeakPolarHBondContact CB-OE2 3.41Å; N554-E556 PolarHBondContact ND2-OE2 3.33Å; N554-E556 PolarHBondContact O-N 3.25Å; N554-N585 WeakPolarHBondContact O-CB 3.35Å; N554-I586 HydrophobicContact CB-CG2 4.47Å; N554-I586 WeakPolarHBondContact O-CB 3.39Å; N554-I586 VanDerWaalsContact O-CG2 3.31Å; N554-I586 WeakPolarHBondContact O-CG2 3.46Å; N554-I586 PolarHBondContact O-N 3.14Å
555	N	86.4	Confident	89	Confident	59 Å²	59	39 Å²	39	32%	0.316	17%	0.171	S	C	.	.			trans	56.3	31.2	-170.5	-149.2	30.8	0	0	0	112.8	R550 N551 I586	R550-N555 WeakPolarHBondContact CB-OD1 3.41Å; R550-N555 VanDerWaalsContact CD-CG 3.42Å; R550-N555 WeakPolarHBondContact CD-O 3.19Å; R550-N555 WeakPolarHBondContact CD-OD1 3.21Å; N551-N555 WeakPolarHBondContact O-CA 3.38Å; N551-N555 PolarHBondContact O-N 3.31Å; N551-N555 VanDerWaalsContact O-N 3.09Å; N551-N555 PolarHBondContact OD1-N 3.21Å; N551-N555 VanDerWaalsContact OD1-N 3.13Å; N555-I586 HydrophobicContact CB-CB 4.24Å
556	E	93.1	Very high	89.7	Confident	28 Å²	28	38.8 Å²	38.8	13%	0.131	17%	0.173	C	C	.	.			trans	-94.5	143.2	-175.3	-75.3	173.1	152	0	0	111.6	H526 R550 N551 N554 H560 N585	H526-E556 PolarHBondContact CD2-O 3.49Å; H526-E556 PolarHBondContact NE2-O 2.94Å; H526-E556 VanDerWaalsContact NE2-O 3.13Å; R550-E556 CarbonylContact C-O 3.47Å; R550-E556 WeakPolarHBondContact CA-O 3.4Å; N551-E556 PolarHBondContact N-O 3.07Å; N551-E556 PolarHBondContact OD1-N 3.5Å; N551-E556 VanDerWaalsContact OD1-N 3.09Å; N554-E556 HydrophobicContact CB-CB 4.25Å; N554-E556 VanDerWaalsContact CB-CD 3.48Å; N554-E556 HydrophobicContact CB-CG 3.59Å; N554-E556 WeakPolarHBondContact CB-OE2 3.41Å; N554-E556 PolarHBondContact ND2-OE2 3.33Å; N554-E556 PolarHBondContact O-N 3.25Å; E556-H560 HydrophobicContact CB-CB 3.91Å; E556-H560 HydrophobicContact CG-CB 3.96Å; E556-N585 HydrophobicContact CG-CB 3.74Å
557	T	92.6	Very high	90.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.172	C	C	.	.			trans	-89.4	168.9	169.1	68	0	0	0	0	111.6	N548 A549 R550 L559 H560 I561 L583	N548-T557 WeakPolarHBondContact O-CG2 3.2Å; A549-T557 WeakPolarHBondContact O-CA 3.35Å; R550-T557 HydrophobicContact CG-CG2 3.82Å; T557-L559 PolarHBondContact O-N 3.06Å; T557-L559 VanDerWaalsContact O-N 3.16Å; T557-L559 PolarHBondContact OG1-N 2.97Å; T557-H560 PolarHBondContact N-ND1 3.26Å; T557-H560 VanDerWaalsContact N-ND1 3.18Å; T557-H560 WeakPolarHBondContact O-CB 3.43Å; T557-H560 PolarHBondContact O-N 2.97Å; T557-H560 VanDerWaalsContact O-N 3.09Å; T557-H560 PolarHBondContact OG1-N 3.18Å; T557-H560 PolarHBondContact OG1-ND1 2.84Å; T557-I561 PolarHBondContact O-N 2.82Å; T557-L583 HydrophobicContact CG2-CD1 3.84Å
558	A	94.5	Very high	90.8	Very high	1 Å²	1	40 Å²	40	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-55.5	-31.3	171.6	0	0	0	0	0	112.9	I525 A529 I561 A562 L574	I525-A558 HydrophobicContact CG1-CB 3.86Å; I525-A558 HydrophobicContact CG2-CB 4.31Å; A529-A558 HydrophobicContact CB-CB 4.07Å; A558-I561 PolarHBondContact O-N 2.79Å; A558-A562 WeakPolarHBondContact O-CB 3.36Å; A558-A562 PolarHBondContact O-N 3.12Å; A558-L574 HydrophobicContact CB-CD1 4.07Å; A558-L574 HydrophobicContact CB-CD2 4.14Å
559	L	96.2	Very high	91.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-70.2	-35.7	177.8	-174.8	62.7	0	0	0	112.7	T557 I561 A562 S563 T571 L574 L575 A579 P591 L607	T557-L559 PolarHBondContact O-N 3.06Å; T557-L559 VanDerWaalsContact O-N 3.16Å; T557-L559 PolarHBondContact OG1-N 2.97Å; L559-I561 VanDerWaalsContact C-N 3.33Å; L559-A562 PolarHBondContact O-N 3.06Å; L559-S563 VanDerWaalsContact O-CB 3.23Å; L559-S563 WeakPolarHBondContact O-CB 3.31Å; L559-S563 PolarHBondContact O-N 2.65Å; L559-S563 PolarHBondContact O-OG 2.67Å; L559-T571 HydrophobicContact CD1-CG2 3.67Å; L559-L574 HydrophobicContact CB-CD1 4.41Å; L559-L574 HydrophobicContact CD1-CB 4.24Å; L559-L574 HydrophobicContact CD1-CD1 4.4Å; L559-L575 HydrophobicContact CD1-CD1 4.47Å; L559-L575 HydrophobicContact CD1-CD2 4.34Å; L559-L575 HydrophobicContact CD1-CG 4.07Å; L559-L575 HydrophobicContact CD2-CD2 3.74Å; L559-L575 HydrophobicContact CD2-CG 4.36Å; L559-A579 HydrophobicContact CB-CB 4.4Å; L559-A579 HydrophobicContact CD2-CB 4.07Å; L559-P591 HydrophobicContact CB-CG 4.42Å; L559-P591 HydrophobicContact CD2-CB 4.24Å; L559-P591 HydrophobicContact CD2-CG 3.89Å; L559-P591 HydrophobicContact CG-CB 3.98Å; L559-P591 HydrophobicContact CG-CG 3.9Å; L559-L607 HydrophobicContact CD1-CD2 4.41Å; L559-L607 HydrophobicContact CD2-CD2 4.16Å
560	H	96	Very high	91.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-44	172.1	-71.4	87.7	0	0	0	111.2	E556 T557 S563 S564 L583 D589 L594	E556-H560 HydrophobicContact CB-CB 3.91Å; E556-H560 HydrophobicContact CG-CB 3.96Å; T557-H560 PolarHBondContact N-ND1 3.26Å; T557-H560 VanDerWaalsContact N-ND1 3.18Å; T557-H560 WeakPolarHBondContact O-CB 3.43Å; T557-H560 PolarHBondContact O-N 2.97Å; T557-H560 VanDerWaalsContact O-N 3.09Å; T557-H560 PolarHBondContact OG1-N 3.18Å; T557-H560 PolarHBondContact OG1-ND1 2.84Å; H560-S563 PolarHBondContact O-N 2.84Å; H560-S564 WeakPolarHBondContact O-CB 2.83Å; H560-S564 PolarHBondContact O-N 2.84Å; H560-S564 PolarHBondContact O-OG 2.83Å; H560-L583 PolarHBondContact CE1-O 3.4Å; H560-L583 PolarHBondContact NE2-O 2.83Å; H560-D589 PolarHBondContact NE2-O 3.33Å; H560-L594 HydrophobicContact CB-CD1 3.73Å
561	I	95.2	Very high	92.4	Very high	11 Å²	11	40 Å²	40	6%	0.056	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-44.3	179.5	-59.3	168.2	0	0	0	110.6	H526 A529 V530 T557 A558 L559 S563 S564 R565	H526-I561 HydrophobicContact CB-CD1 3.87Å; A529-I561 HydrophobicContact CB-CB 4.02Å; A529-I561 HydrophobicContact CB-CG2 3.9Å; V530-I561 HydrophobicContact CB-CG2 4.35Å; V530-I561 HydrophobicContact CG2-CD1 4.09Å; V530-I561 HydrophobicContact CG2-CG2 3.76Å; T557-I561 PolarHBondContact O-N 2.82Å; A558-I561 PolarHBondContact O-N 2.79Å; L559-I561 VanDerWaalsContact C-N 3.33Å; I561-S563 VanDerWaalsContact C-N 3.31Å; I561-S563 PolarHBondContact O-N 3.08Å; I561-S564 PolarHBondContact O-OG 3.44Å; I561-R565 WeakPolarHBondContact O-CB 3.22Å; I561-R565 WeakPolarHBondContact O-CD 3.43Å; I561-R565 VanDerWaalsContact O-CG 3.23Å; I561-R565 WeakPolarHBondContact O-CG 3.08Å; I561-R565 PolarHBondContact O-N 3.02Å
562	A	96.3	Very high	92.8	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-39.4	175.5	0	0	0	0	0	112	A558 L559 R565 G566 D567 L570 L574	A558-A562 WeakPolarHBondContact O-CB 3.36Å; A558-A562 PolarHBondContact O-N 3.12Å; L559-A562 PolarHBondContact O-N 3.06Å; A562-R565 PolarHBondContact O-N 2.94Å; A562-G566 PolarHBondContact O-N 2.96Å; A562-D567 PolarHBondContact O-N 3.25Å; A562-L570 HydrophobicContact CB-CB 4.3Å; A562-L570 HydrophobicContact CB-CD2 3.73Å; A562-L570 HydrophobicContact CB-CG 3.86Å; A562-L574 HydrophobicContact CB-CD1 3.87Å
563	S	95.7	Very high	93.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-72.5	-42.7	-177.3	-58.7	0	0	0	0	113.2	L559 H560 I561 R565 G566 P591	L559-S563 VanDerWaalsContact O-CB 3.23Å; L559-S563 WeakPolarHBondContact O-CB 3.31Å; L559-S563 PolarHBondContact O-N 2.65Å; L559-S563 PolarHBondContact O-OG 2.67Å; H560-S563 PolarHBondContact O-N 2.84Å; I561-S563 VanDerWaalsContact C-N 3.31Å; I561-S563 PolarHBondContact O-N 3.08Å; S563-R565 PolarHBondContact O-N 2.89Å; S563-G566 PolarHBondContact O-N 2.76Å; S563-P591 VanDerWaalsContact CB-O 3.23Å; S563-P591 WeakPolarHBondContact CB-O 3.38Å; S563-P591 WeakPolarHBondContact OG-CB 3.14Å
564	S	94.3	Very high	94	Very high	34 Å²	34	25.5 Å²	25.5	24%	0.238	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-31.7	174	53.9	0	0	0	0	112.7	H560 I561 G566 N598	H560-S564 WeakPolarHBondContact O-CB 2.83Å; H560-S564 PolarHBondContact O-N 2.84Å; H560-S564 PolarHBondContact O-OG 2.83Å; I561-S564 PolarHBondContact O-OG 3.44Å; S564-G566 VanDerWaalsContact C-N 3.3Å; S564-N598 WeakPolarHBondContact CA-ND2 3.45Å; S564-N598 VanDerWaalsContact O-CB 3.26Å; S564-N598 WeakPolarHBondContact O-CB 3.44Å; S564-N598 PolarHBondContact O-ND2 3.36Å
565	R	93.7	Very high	94.3	Very high	131 Å²	131	23.5 Å²	23.5	49%	0.494	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-13.2	175.1	-69.9	170.5	55.8	74.2	4.4	114.1	A529 V530 I561 A562 S563 D567	A529-R565 WeakPolarHBondContact O-CD 3.34Å; A529-R565 PolarHBondContact O-NE 3.29Å; V530-R565 VanDerWaalsContact O-CZ 3.26Å; V530-R565 PolarHBondContact O-NH1 3.46Å; I561-R565 WeakPolarHBondContact O-CB 3.22Å; I561-R565 WeakPolarHBondContact O-CD 3.43Å; I561-R565 VanDerWaalsContact O-CG 3.23Å; I561-R565 WeakPolarHBondContact O-CG 3.08Å; I561-R565 PolarHBondContact O-N 3.02Å; A562-R565 PolarHBondContact O-N 2.94Å; S563-R565 PolarHBondContact O-N 2.89Å; R565-D567 HydrophobicContact CB-CB 4.36Å; R565-D567 PolarHBondContact O-N 3.44Å
566	G	93.5	Very high	94.5	Very high	18 Å²	18	27.2 Å²	27.2	19%	0.186	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	23.3	-170.5	0	0	0	0	0	114.8	A562 S563 S564 N568 N602	A562-G566 PolarHBondContact O-N 2.96Å; S563-G566 PolarHBondContact O-N 2.76Å; S564-G566 VanDerWaalsContact C-N 3.3Å; G566-N568 PolarHBondContact O-N 3.46Å; G566-N602 PolarHBondContact O-ND2 2.55Å
567	D	94.1	Very high	94.3	Very high	24 Å²	24	28.4 Å²	28.4	13%	0.128	16%	0.157	C	C	.	.			trans	-79.2	84	-177.8	-170.1	-21	0	0	0	110.3	A562 R565 P569 L570 T571	A562-D567 PolarHBondContact O-N 3.25Å; R565-D567 HydrophobicContact CB-CB 4.36Å; R565-D567 PolarHBondContact O-N 3.44Å; D567-P569 WeakPolarHBondContact OD1-CD 3.16Å; D567-L570 HydrophobicContact CB-CB 4.06Å; D567-L570 PolarHBondContact O-N 3.18Å; D567-L570 WeakPolarHBondContact OD1-CB 3.19Å; D567-L570 PolarHBondContact OD1-N 3.29Å; D567-L570 WeakPolarHBondContact OD2-CB 3.25Å; D567-T571 VanDerWaalsContact O-CB 3.28Å; D567-T571 WeakPolarHBondContact O-CB 3.48Å; D567-T571 PolarHBondContact O-N 2.81Å; D567-T571 PolarHBondContact O-OG1 2.93Å
568	N	93.6	Very high	94	Very high	45 Å²	45	30.5 Å²	30.5	24%	0.241	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-44.8	-179.1	174	-68.2	0	0	0	113.5	G566 L570 T571 T572 N602 V603 V606	G566-N568 PolarHBondContact O-N 3.46Å; N568-L570 PolarHBondContact O-N 3.01Å; N568-T571 PolarHBondContact O-N 3.49Å; N568-T572 WeakPolarHBondContact O-CB 3.43Å; N568-T572 PolarHBondContact O-N 2.82Å; N568-T572 PolarHBondContact O-OG1 2.79Å; N568-N602 HydrophobicContact CB-CB 4.15Å; N568-N602 VanDerWaalsContact CB-ND2 3.34Å; N568-N602 WeakPolarHBondContact CB-ND2 3.44Å; N568-N602 PolarHBondContact ND2-O 2.88Å; N568-V603 HydrophobicContact CB-CG2 4.22Å; N568-V606 WeakPolarHBondContact ND2-CG2 3.12Å
569	P	95.7	Very high	93.6	Very high	72 Å²	72	30.8 Å²	30.8	47%	0.468	18%	0.181	S	C	.	.	H	α-helix	trans	-59.7	-42.8	176	-27.2	35.8	0	0	0	113.8	I534 D567 L573	I534-P569 HydrophobicContact CD1-CB 3.58Å; I534-P569 HydrophobicContact CD1-CG 4.4Å; I534-P569 HydrophobicContact CG1-CB 4.5Å; D567-P569 WeakPolarHBondContact OD1-CD 3.16Å; P569-L573 WeakPolarHBondContact O-CB 3.38Å; P569-L573 PolarHBondContact O-N 3.4Å; P569-L573 VanDerWaalsContact O-N 3.1Å
570	L	96.2	Very high	93	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-69.8	-39.8	176.8	-179.5	61.5	0	0	0	111.8	A529 I534 A537 A562 D567 N568 L573 L574	A529-L570 HydrophobicContact CB-CD2 3.88Å; I534-L570 HydrophobicContact CG1-CB 4.2Å; A537-L570 HydrophobicContact CB-CD1 3.57Å; A562-L570 HydrophobicContact CB-CB 4.3Å; A562-L570 HydrophobicContact CB-CD2 3.73Å; A562-L570 HydrophobicContact CB-CG 3.86Å; D567-L570 HydrophobicContact CB-CB 4.06Å; D567-L570 PolarHBondContact O-N 3.18Å; D567-L570 WeakPolarHBondContact OD1-CB 3.19Å; D567-L570 PolarHBondContact OD1-N 3.29Å; D567-L570 WeakPolarHBondContact OD2-CB 3.25Å; N568-L570 PolarHBondContact O-N 3.01Å; L570-L573 HydrophobicContact CD1-CD2 4.37Å; L570-L573 PolarHBondContact O-N 3.23Å; L570-L574 HydrophobicContact CD1-CD1 4.27Å; L570-L574 HydrophobicContact CD1-CG 4.22Å; L570-L574 HydrophobicContact CG-CD1 4Å; L570-L574 HydrophobicContact CG-CG 4.39Å; L570-L574 VanDerWaalsContact O-CG 3.29Å; L570-L574 WeakPolarHBondContact O-CG 3.39Å; L570-L574 PolarHBondContact O-N 2.99Å
571	T	96	Very high	92.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-49	178.3	-59.2	0	0	0	0	110.6	L559 D567 N568 L573 L574 L575 V603 V606 L607	L559-T571 HydrophobicContact CD1-CG2 3.67Å; D567-T571 VanDerWaalsContact O-CB 3.28Å; D567-T571 WeakPolarHBondContact O-CB 3.48Å; D567-T571 PolarHBondContact O-N 2.81Å; D567-T571 PolarHBondContact O-OG1 2.93Å; N568-T571 PolarHBondContact O-N 3.49Å; T571-L573 VanDerWaalsContact C-N 3.34Å; T571-L573 PolarHBondContact O-N 2.81Å; T571-L574 PolarHBondContact O-N 2.94Å; T571-L575 HydrophobicContact CG2-CD1 3.74Å; T571-L575 WeakPolarHBondContact O-CG 3.46Å; T571-L575 PolarHBondContact O-N 2.86Å; T571-V603 HydrophobicContact CG2-CG1 3.75Å; T571-V606 HydrophobicContact CG2-CG1 4.27Å; T571-L607 HydrophobicContact CG2-CD2 4.44Å; T571-L607 HydrophobicContact CG2-CG 4.47Å
572	T	95.5	Very high	92.2	Very high	31 Å²	31	32.7 Å²	32.7	19%	0.19	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-46.6	176	-58.2	0	0	0	0	110.8	N568 L574 L575 E576	N568-T572 WeakPolarHBondContact O-CB 3.43Å; N568-T572 PolarHBondContact O-N 2.82Å; N568-T572 PolarHBondContact O-OG1 2.79Å; T572-L574 PolarHBondContact O-N 2.99Å; T572-L575 PolarHBondContact O-N 2.83Å; T572-E576 HydrophobicContact CG2-CG 4.24Å; T572-E576 WeakPolarHBondContact CG2-OE1 3.39Å; T572-E576 WeakPolarHBondContact O-CB 3.19Å; T572-E576 VanDerWaalsContact O-CG 3.29Å; T572-E576 WeakPolarHBondContact O-CG 3.12Å; T572-E576 PolarHBondContact O-N 3.49Å
573	L	95	Very high	91.6	Very high	25 Å²	25	33.3 Å²	33.3	13%	0.131	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-43.8	177.5	175.7	69.2	0	0	0	112.9	I534 A537 K538 L541 P569 L570 T571 A577	I534-L573 HydrophobicContact CG2-CD2 4.02Å; A537-L573 HydrophobicContact CB-CD2 4.08Å; K538-L573 HydrophobicContact CB-CD2 4.36Å; K538-L573 HydrophobicContact CD-CD1 4.44Å; K538-L573 HydrophobicContact CD-CD2 4.42Å; K538-L573 HydrophobicContact CG-CD1 3.73Å; K538-L573 HydrophobicContact CG-CD2 3.39Å; K538-L573 HydrophobicContact CG-CG 4.2Å; L541-L573 HydrophobicContact CD1-CD1 4.31Å; L541-L573 HydrophobicContact CD1-CD2 3.97Å; L541-L573 HydrophobicContact CD1-CG 3.77Å; P569-L573 WeakPolarHBondContact O-CB 3.38Å; P569-L573 PolarHBondContact O-N 3.4Å; P569-L573 VanDerWaalsContact O-N 3.1Å; L570-L573 HydrophobicContact CD1-CD2 4.37Å; L570-L573 PolarHBondContact O-N 3.23Å; T571-L573 VanDerWaalsContact C-N 3.34Å; T571-L573 PolarHBondContact O-N 2.81Å; L573-A577 VanDerWaalsContact O-CB 3.3Å; L573-A577 WeakPolarHBondContact O-CB 3.29Å; L573-A577 PolarHBondContact O-N 2.93Å
574	L	94.2	Very high	91	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.6	-42.9	179.6	-71.9	169.1	0	0	0	110.8	I525 L541 I547 A558 L559 A562 L570 T571 T572 A577 G578 A579	I525-L574 HydrophobicContact CD1-CD2 4.43Å; I525-L574 HydrophobicContact CG1-CD2 4.47Å; L541-L574 HydrophobicContact CD1-CD2 4.24Å; L541-L574 HydrophobicContact CD2-CD2 4.33Å; I547-L574 HydrophobicContact CD1-CB 4.38Å; I547-L574 HydrophobicContact CD1-CD2 4.02Å; I547-L574 WeakPolarHBondContact CD1-O 3.01Å; I547-L574 HydrophobicContact CG1-CD2 3.96Å; A558-L574 HydrophobicContact CB-CD1 4.07Å; A558-L574 HydrophobicContact CB-CD2 4.14Å; L559-L574 HydrophobicContact CB-CD1 4.41Å; L559-L574 HydrophobicContact CD1-CB 4.24Å; L559-L574 HydrophobicContact CD1-CD1 4.4Å; A562-L574 HydrophobicContact CB-CD1 3.87Å; L570-L574 HydrophobicContact CD1-CD1 4.27Å; L570-L574 HydrophobicContact CD1-CG 4.22Å; L570-L574 HydrophobicContact CG-CD1 4Å; L570-L574 HydrophobicContact CG-CG 4.39Å; L570-L574 VanDerWaalsContact O-CG 3.29Å; L570-L574 WeakPolarHBondContact O-CG 3.39Å; L570-L574 PolarHBondContact O-N 2.99Å; T571-L574 PolarHBondContact O-N 2.94Å; T572-L574 PolarHBondContact O-N 2.99Å; L574-A577 CarbonylContact O-C 3.6Å; L574-A577 PolarHBondContact O-N 3.05Å; L574-G578 PolarHBondContact O-N 2.79Å; L574-A579 HydrophobicContact CB-CB 4.05Å; L574-A579 WeakPolarHBondContact O-CB 3.42Å; L574-A579 PolarHBondContact O-N 2.65Å
575	L	91.7	Very high	90.7	Very high	12 Å²	12	33.1 Å²	33.1	6%	0.063	19%	0.191	C	C	.	.	H	α-helix	trans	-66.9	-43.2	178.4	-69.9	164.3	0	0	0	112.2	L559 T571 T572 A577 G578 P581 V606 L607 H610	L559-L575 HydrophobicContact CD1-CD1 4.47Å; L559-L575 HydrophobicContact CD1-CD2 4.34Å; L559-L575 HydrophobicContact CD1-CG 4.07Å; L559-L575 HydrophobicContact CD2-CD2 3.74Å; L559-L575 HydrophobicContact CD2-CG 4.36Å; T571-L575 HydrophobicContact CG2-CD1 3.74Å; T571-L575 WeakPolarHBondContact O-CG 3.46Å; T571-L575 PolarHBondContact O-N 2.86Å; T572-L575 PolarHBondContact O-N 2.83Å; L575-A577 PolarHBondContact O-N 3.32Å; L575-G578 PolarHBondContact O-N 3.44Å; L575-P581 HydrophobicContact CD2-CB 3.92Å; L575-V606 HydrophobicContact CD1-CG1 3.55Å; L575-L607 HydrophobicContact CD1-CD2 4Å; L575-L607 HydrophobicContact CD2-CD2 4.29Å; L575-H610 HydrophobicContact CB-CB 4.49Å; L575-H610 HydrophobicContact CD1-CB 4.13Å; L575-H610 HydrophobicContact CD2-CB 4.02Å; L575-H610 HydrophobicContact CG-CB 4.45Å
576	E	92.1	Very high	90.4	Very high	138 Å²	138	31.3 Å²	31.3	65%	0.645	19%	0.19	S	C	*	.	H	α-helix	trans	-61.1	-30.8	173.5	-74	175.7	173	0	0	112.3	T572 G578	T572-E576 HydrophobicContact CG2-CG 4.24Å; T572-E576 WeakPolarHBondContact CG2-OE1 3.39Å; T572-E576 WeakPolarHBondContact O-CB 3.19Å; T572-E576 VanDerWaalsContact O-CG 3.29Å; T572-E576 WeakPolarHBondContact O-CG 3.12Å; T572-E576 PolarHBondContact O-N 3.49Å; E576-G578 VanDerWaalsContact C-N 3.27Å; E576-G578 PolarHBondContact O-N 2.74Å
577	A	88.9	Confident	89.9	Confident	52 Å²	52	34.6 Å²	34.6	43%	0.43	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	1.6	174.7	0	0	0	0	0	114.1	L541 I547 L573 L574 L575	L541-A577 HydrophobicContact CB-CB 4.49Å; L541-A577 HydrophobicContact CD1-CB 3.84Å; L541-A577 HydrophobicContact CD2-CB 4.06Å; L541-A577 HydrophobicContact CG-CB 4.35Å; I547-A577 HydrophobicContact CD1-CB 3.7Å; L573-A577 VanDerWaalsContact O-CB 3.3Å; L573-A577 WeakPolarHBondContact O-CB 3.29Å; L573-A577 PolarHBondContact O-N 2.93Å; L574-A577 CarbonylContact O-C 3.6Å; L574-A577 PolarHBondContact O-N 3.05Å; L575-A577 PolarHBondContact O-N 3.32Å
578	G	84.8	Confident	89.3	Confident	44 Å²	44	33.7 Å²	33.7	45%	0.454	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	21.3	174.8	0	0	0	0	0	115.7	L574 L575 E576	L574-G578 PolarHBondContact O-N 2.79Å; L575-G578 PolarHBondContact O-N 3.44Å; E576-G578 VanDerWaalsContact C-N 3.27Å; E576-G578 PolarHBondContact O-N 2.74Å
579	A	87.8	Confident	89.1	Confident	7 Å²	7	32.7 Å²	32.7	6%	0.058	19%	0.194	C	C	.	.			trans	-62.6	136.1	173.2	0	0	0	0	0	110.6	I547 L559 L574 P581	I547-A579 HydrophobicContact CD1-CB 3.7Å; I547-A579 HydrophobicContact CG1-CB 3.89Å; L559-A579 HydrophobicContact CB-CB 4.4Å; L559-A579 HydrophobicContact CD2-CB 4.07Å; L574-A579 HydrophobicContact CB-CB 4.05Å; L574-A579 WeakPolarHBondContact O-CB 3.42Å; L574-A579 PolarHBondContact O-N 2.65Å; A579-P581 WeakPolarHBondContact O-CD 3.39Å
580	H	83.7	Confident	88.9	Confident	21 Å²	21	29.3 Å²	29.3	10%	0.097	17%	0.172	C	C	.	.			trans	-75.9	120.6	178.4	-174.3	-72.9	0	0	0	110	N548 S582 L583	N548-H580 PolarHBondContact OD1-N 2.94Å; H580-S582 VanDerWaalsContact C-N 3.29Å; H580-S582 PolarHBondContact ND1-N 2.92Å; H580-S582 VanDerWaalsContact ND1-N 3.16Å; H580-S582 PolarHBondContact O-N 2.88Å; H580-L583 HydrophobicContact CB-CD1 3.91Å; H580-L583 HydrophobicContact CB-CD2 4.21Å; H580-L583 HydrophobicContact CB-CG 3.77Å; H580-L583 PolarHBondContact ND1-N 2.63Å
581	P	87.7	Confident	88.8	Confident	19 Å²	19	29.2 Å²	29.2	12%	0.123	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-15	-168.2	30.7	-37.6	0	0	0	114.4	L575 A579 P591 L607 H610 A612	L575-P581 HydrophobicContact CD2-CB 3.92Å; A579-P581 WeakPolarHBondContact O-CD 3.39Å; P581-P591 WeakPolarHBondContact O-CD 3.46Å; P581-L607 HydrophobicContact CB-CD2 4.36Å; P581-H610 WeakPolarHBondContact CG-O 3.27Å; P581-A612 HydrophobicContact CB-CB 3.93Å
582	S	86.1	Confident	88.6	Confident	13 Å²	13	29.2 Å²	29.2	9%	0.091	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	15.6	-168.7	-28.7	0	0	0	0	114.7	H580 D613 L616	H580-S582 VanDerWaalsContact C-N 3.29Å; H580-S582 PolarHBondContact ND1-N 2.92Å; H580-S582 VanDerWaalsContact ND1-N 3.16Å; H580-S582 PolarHBondContact O-N 2.88Å; S582-D613 PolarHBondContact OG-N 2.94Å; S582-L616 WeakPolarHBondContact O-CD1 3.35Å
583	L	83.2	Confident	88.3	Confident	12 Å²	12	27.9 Å²	27.9	6%	0.063	16%	0.164	C	C	.	.			trans	-64.9	141.1	175	-63.8	177	0	0	0	109.3	N548 T557 H560 H580 P591	N548-L583 HydrophobicContact CB-CD1 3.9Å; T557-L583 HydrophobicContact CG2-CD1 3.84Å; H560-L583 PolarHBondContact CE1-O 3.4Å; H560-L583 PolarHBondContact NE2-O 2.83Å; H580-L583 HydrophobicContact CB-CD1 3.91Å; H580-L583 HydrophobicContact CB-CD2 4.21Å; H580-L583 HydrophobicContact CB-CG 3.77Å; H580-L583 PolarHBondContact ND1-N 2.63Å; L583-P591 WeakPolarHBondContact O-CD 3.2Å
584	Q	83.3	Confident	88.2	Confident	20 Å²	20	27.5 Å²	27.5	9%	0.093	16%	0.162	C	C	.	.			trans	-94	143.1	177.3	-61.1	-177.2	-76.7	0	0	111.1	S185 G588 D589 T590 L616 V617	S185-Q584 PolarHBondContact OG-OE1 2.65Å; Q584-G588 WeakPolarHBondContact CG-O 3.44Å; Q584-G588 PolarHBondContact NE2-O 2.77Å; Q584-D589 WeakPolarHBondContact CA-O 3.42Å; Q584-T590 HydrophobicContact CG-CG2 4.04Å; Q584-L616 HydrophobicContact CG-CD1 4.4Å; Q584-V617 PolarHBondContact NE2-O 2.98Å
585	N	87.5	Confident	88.2	Confident	10 Å²	10	27.5 Å²	27.5	5%	0.053	16%	0.162	C	C	.	.			trans	-84.1	-171.1	169.9	75.5	3	0	0	0	111.5	N554 E556 N587 G588 D589	N554-N585 WeakPolarHBondContact O-CB 3.35Å; E556-N585 HydrophobicContact CG-CB 3.74Å; N585-N587 PolarHBondContact O-N 3.4Å; N585-N587 WeakPolarHBondContact OD1-CA 3.11Å; N585-N587 WeakPolarHBondContact OD1-CB 3.38Å; N585-N587 PolarHBondContact OD1-N 3.18Å; N585-G588 PolarHBondContact O-N 3.3Å; N585-G588 PolarHBondContact OD1-N 2.87Å; N585-D589 PolarHBondContact N-O 3.22Å; N585-D589 PolarHBondContact OD1-N 2.81Å; N585-D589 PolarHBondContact OD1-O 3.39Å
586	I	87.3	Confident	88.1	Confident	93 Å²	93	26.9 Å²	26.9	48%	0.477	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.5	179.8	-163.7	168	0	0	0	113.6	N554 N555 G588 N619	N554-I586 HydrophobicContact CB-CG2 4.47Å; N554-I586 WeakPolarHBondContact O-CB 3.39Å; N554-I586 VanDerWaalsContact O-CG2 3.31Å; N554-I586 WeakPolarHBondContact O-CG2 3.46Å; N554-I586 PolarHBondContact O-N 3.14Å; N555-I586 HydrophobicContact CB-CB 4.24Å; I586-G588 VanDerWaalsContact C-N 3.27Å; I586-N619 PolarHBondContact O-ND2 3.42Å
587	N	83.4	Confident	88	Confident	88 Å²	88	24.1 Å²	24.1	47%	0.471	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	0.5	176.8	-65	-17.5	0	0	0	112.5	N585 D589 N619	N585-N587 PolarHBondContact O-N 3.4Å; N585-N587 WeakPolarHBondContact OD1-CA 3.11Å; N585-N587 WeakPolarHBondContact OD1-CB 3.38Å; N585-N587 PolarHBondContact OD1-N 3.18Å; N587-D589 VanDerWaalsContact CB-OD2 3.24Å; N587-D589 WeakPolarHBondContact CB-OD2 3.3Å; N587-D589 PolarHBondContact O-N 3.46Å; N587-N619 VanDerWaalsContact CA-ND2 3.25Å; N587-N619 WeakPolarHBondContact CA-ND2 3.3Å; N587-N619 WeakPolarHBondContact O-CB 3.49Å; N587-N619 PolarHBondContact O-N 2.83Å; N587-N619 PolarHBondContact O-ND2 2.72Å
588	G	82.3	Confident	88	Confident	4 Å²	4	26 Å²	26	4%	0.041	15%	0.151	C	C	.	.	S	Bend	trans	77	0.4	-172.4	0	0	0	0	0	113.2	Q584 N585 I586 N618	Q584-G588 WeakPolarHBondContact CG-O 3.44Å; Q584-G588 PolarHBondContact NE2-O 2.77Å; N585-G588 PolarHBondContact O-N 3.3Å; N585-G588 PolarHBondContact OD1-N 2.87Å; I586-G588 VanDerWaalsContact C-N 3.27Å; G588-N618 WeakPolarHBondContact O-CA 3.35Å
589	D	89.5	Confident	88.1	Confident	24 Å²	24	25 Å²	25	13%	0.128	14%	0.14	C	C	.	.			trans	-74.1	133.2	-178.9	-63.5	-46.8	0	0	0	109.9	H560 Q584 N585 N587 H593 L594 N618	H560-D589 PolarHBondContact NE2-O 3.33Å; Q584-D589 WeakPolarHBondContact CA-O 3.42Å; N585-D589 PolarHBondContact N-O 3.22Å; N585-D589 PolarHBondContact OD1-N 2.81Å; N585-D589 PolarHBondContact OD1-O 3.39Å; N587-D589 VanDerWaalsContact CB-OD2 3.24Å; N587-D589 WeakPolarHBondContact CB-OD2 3.3Å; N587-D589 PolarHBondContact O-N 3.46Å; D589-H593 HydrophobicContact CB-CB 3.81Å; D589-L594 HydrophobicContact CB-CD2 3.89Å; D589-L594 HydrophobicContact CB-CG 4.2Å; D589-N618 WeakPolarHBondContact OD1-CB 3.3Å; D589-N618 PolarHBondContact OD1-ND2 2.86Å
590	T	90.1	Very high	88.2	Confident	1 Å²	1	25 Å²	25	1%	0.006	14%	0.141	C	C	.	.			trans	-83.2	166.3	167.3	70.7	0	0	0	0	110.1	Q584 M592 H593 L594 L616	Q584-T590 HydrophobicContact CG-CG2 4.04Å; T590-M592 PolarHBondContact O-N 2.7Å; T590-M592 PolarHBondContact OG1-N 3.16Å; T590-H593 PolarHBondContact N-ND1 3.08Å; T590-H593 VanDerWaalsContact N-ND1 3.15Å; T590-H593 WeakPolarHBondContact O-CB 3.21Å; T590-H593 PolarHBondContact O-N 2.88Å; T590-H593 PolarHBondContact OG1-N 2.7Å; T590-H593 PolarHBondContact OG1-ND1 2.94Å; T590-L594 PolarHBondContact O-N 3.21Å; T590-L616 HydrophobicContact CG2-CB 4.03Å; T590-L616 HydrophobicContact CG2-CD1 3.78Å
591	P	94	Very high	88.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-51.4	-33.1	172	-28.9	35.2	0	0	0	113.6	L559 S563 P581 L583 L594 A595 L607	L559-P591 HydrophobicContact CB-CG 4.42Å; L559-P591 HydrophobicContact CD2-CB 4.24Å; L559-P591 HydrophobicContact CD2-CG 3.89Å; L559-P591 HydrophobicContact CG-CB 3.98Å; L559-P591 HydrophobicContact CG-CG 3.9Å; S563-P591 VanDerWaalsContact CB-O 3.23Å; S563-P591 WeakPolarHBondContact CB-O 3.38Å; S563-P591 WeakPolarHBondContact OG-CB 3.14Å; P581-P591 WeakPolarHBondContact O-CD 3.46Å; L583-P591 WeakPolarHBondContact O-CD 3.2Å; P591-L594 PolarHBondContact O-N 3.47Å; P591-A595 WeakPolarHBondContact O-CB 3.32Å; P591-A595 PolarHBondContact O-N 2.99Å; P591-L607 HydrophobicContact CB-CD1 4.03Å; P591-L607 HydrophobicContact CB-CD2 4.09Å
592	M	93.1	Very high	88.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-73.3	-34.7	178	-173	177.6	-78.4	0	0	112.8	T590 L594 A595 L596 V604 L607 A608 A612 V614 V624 L639	T590-M592 PolarHBondContact O-N 2.7Å; T590-M592 PolarHBondContact OG1-N 3.16Å; M592-L594 VanDerWaalsContact C-N 3.34Å; M592-A595 PolarHBondContact O-N 2.61Å; M592-L596 HydrophobicContact CG-CD1 4.36Å; M592-L596 WeakPolarHBondContact O-CB 3.29Å; M592-L596 WeakPolarHBondContact O-CG 3.37Å; M592-L596 PolarHBondContact O-N 3.13Å; M592-V604 HydrophobicContact CG-CG1 4.43Å; M592-L607 HydrophobicContact CB-CD1 3.9Å; M592-L607 HydrophobicContact CE-CB 3.62Å; M592-A608 HydrophobicContact CE-CB 3.95Å; M592-A612 HydrophobicContact CE-CB 3.77Å; M592-V614 HydrophobicContact SD-CG1 4.18Å; M592-V624 HydrophobicContact CB-CG1 3.95Å; M592-V624 HydrophobicContact CG-CB 4.25Å; M592-V624 HydrophobicContact CG-CG1 3.86Å; M592-V624 HydrophobicContact SD-CB 4.07Å; M592-V624 HydrophobicContact SD-CG1 3.99Å; M592-V624 HydrophobicContact SD-CG2 3.93Å; M592-L639 HydrophobicContact SD-CD2 4.28Å
593	H	89.3	Confident	88.8	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.009	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-47.7	170.8	-70.5	89.9	0	0	0	110.3	D589 T590 A595 L596 D597 L616 Y622 N623 V624	D589-H593 HydrophobicContact CB-CB 3.81Å; T590-H593 PolarHBondContact N-ND1 3.08Å; T590-H593 VanDerWaalsContact N-ND1 3.15Å; T590-H593 WeakPolarHBondContact O-CB 3.21Å; T590-H593 PolarHBondContact O-N 2.88Å; T590-H593 PolarHBondContact OG1-N 2.7Å; T590-H593 PolarHBondContact OG1-ND1 2.94Å; H593-A595 PolarHBondContact O-N 3Å; H593-L596 PolarHBondContact O-N 2.73Å; H593-D597 PolarHBondContact O-N 3.1Å; H593-L616 PolarHBondContact CE1-O 2.91Å; H593-L616 VanDerWaalsContact CE1-O 3.32Å; H593-Y622 PolarHBondContact NE2-O 3.14Å; H593-Y622 VanDerWaalsContact NE2-O 3.16Å; H593-N623 VanDerWaalsContact NE2-C 3.26Å; H593-N623 WeakPolarHBondContact NE2-CA 3.42Å; H593-V624 VanDerWaalsContact CE1-CG1 3.48Å; H593-V624 WeakPolarHBondContact CE1-CG1 3.39Å; H593-V624 PolarHBondContact NE2-N 2.76Å
594	L	93	Very high	89.1	Confident	17 Å²	17	27 Å²	27	9%	0.089	15%	0.15	C	C	.	.	H	α-helix	trans	-65.1	-38.8	178.8	-60.3	-176.7	0	0	0	112.8	H560 D589 T590 P591 M592 L596 N598	H560-L594 HydrophobicContact CB-CD1 3.73Å; D589-L594 HydrophobicContact CB-CD2 3.89Å; D589-L594 HydrophobicContact CB-CG 4.2Å; T590-L594 PolarHBondContact O-N 3.21Å; P591-L594 PolarHBondContact O-N 3.47Å; M592-L594 VanDerWaalsContact C-N 3.34Å; L594-L596 VanDerWaalsContact C-N 3.33Å; L594-N598 WeakPolarHBondContact O-CB 3.25Å; L594-N598 PolarHBondContact O-N 3.13Å; L594-N598 VanDerWaalsContact O-N 3.11Å; L594-N598 PolarHBondContact O-ND2 3.09Å
595	A	93.1	Very high	89.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-40.9	174.7	0	0	0	0	0	111.4	P591 M592 H593 G599 A600 V603 V604 L607	P591-A595 WeakPolarHBondContact O-CB 3.32Å; P591-A595 PolarHBondContact O-N 2.99Å; M592-A595 PolarHBondContact O-N 2.61Å; H593-A595 PolarHBondContact O-N 3Å; A595-G599 PolarHBondContact O-N 3.32Å; A595-G599 VanDerWaalsContact O-N 3.07Å; A595-A600 HydrophobicContact CB-CB 4.23Å; A595-A600 PolarHBondContact O-N 3.36Å; A595-V603 HydrophobicContact CB-CB 4.09Å; A595-V603 HydrophobicContact CB-CG1 3.77Å; A595-V604 HydrophobicContact CB-CG2 3.75Å; A595-L607 HydrophobicContact CB-CD1 4.25Å
596	L	89.8	Confident	89.4	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-46.3	176.1	-78.8	169.4	0	0	0	111.8	M592 H593 L594 N598 G599 V604 V624 E627 A628 L631 R633 Y637	M592-L596 HydrophobicContact CG-CD1 4.36Å; M592-L596 WeakPolarHBondContact O-CB 3.29Å; M592-L596 WeakPolarHBondContact O-CG 3.37Å; M592-L596 PolarHBondContact O-N 3.13Å; H593-L596 PolarHBondContact O-N 2.73Å; L594-L596 VanDerWaalsContact C-N 3.33Å; L596-N598 VanDerWaalsContact C-N 3.33Å; L596-N598 PolarHBondContact O-N 2.85Å; L596-G599 PolarHBondContact O-N 3.35Å; L596-G599 VanDerWaalsContact O-N 3.16Å; L596-V604 HydrophobicContact CD2-CG1 4.33Å; L596-V604 HydrophobicContact CD2-CG2 3.85Å; L596-V604 HydrophobicContact CG-CG2 3.88Å; L596-V624 HydrophobicContact CD1-CB 3.78Å; L596-V624 HydrophobicContact CD1-CG1 4.48Å; L596-V624 WeakPolarHBondContact CD1-O 3.38Å; L596-E627 HydrophobicContact CB-CG 4.26Å; L596-E627 HydrophobicContact CD1-CB 4.4Å; L596-A628 HydrophobicContact CD1-CB 4.19Å; L596-A628 HydrophobicContact CD2-CB 4.08Å; L596-L631 HydrophobicContact CB-CD1 4.48Å; L596-L631 VanDerWaalsContact O-CD1 3.27Å; L596-L631 WeakPolarHBondContact O-CD1 3.33Å; L596-R633 PolarHBondContact O-NH1 3.28Å; L596-Y637 HydrophobicContact CD2-CE2 4.08Å
597	D	89.5	Confident	89.5	Confident	80 Å²	80	26.4 Å²	26.4	43%	0.428	15%	0.149	S	C	.	.	H	α-helix	trans	-59.3	-45.2	179.6	-166.5	47.6	0	0	0	111.1	H593 G599 R630 R633	H593-D597 PolarHBondContact O-N 3.1Å; D597-G599 VanDerWaalsContact C-N 3.3Å; D597-G599 PolarHBondContact O-N 3.01Å; D597-R630 IonicContact OD1-NH2 3.29Å; D597-R630 PolarHBondContact OD1-NH2 3.43Å; D597-R633 PolarHBondContact O-NH1 3.34Å
598	N	89.9	Confident	89.6	Confident	90 Å²	90	24.4 Å²	24.4	48%	0.481	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.8	179.5	-68.5	-74.5	0	0	0	114.7	S564 L594 L596 A600	S564-N598 WeakPolarHBondContact CA-ND2 3.45Å; S564-N598 VanDerWaalsContact O-CB 3.26Å; S564-N598 WeakPolarHBondContact O-CB 3.44Å; S564-N598 PolarHBondContact O-ND2 3.36Å; L594-N598 WeakPolarHBondContact O-CB 3.25Å; L594-N598 PolarHBondContact O-N 3.13Å; L594-N598 VanDerWaalsContact O-N 3.11Å; L594-N598 PolarHBondContact O-ND2 3.09Å; L596-N598 VanDerWaalsContact C-N 3.33Å; L596-N598 PolarHBondContact O-N 2.85Å; N598-A600 VanDerWaalsContact C-N 3.35Å
599	G	87.4	Confident	89.9	Confident	23 Å²	23	29.7 Å²	29.7	24%	0.237	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	25.8	179.1	0	0	0	0	0	115.7	A595 L596 D597 D601	A595-G599 PolarHBondContact O-N 3.32Å; A595-G599 VanDerWaalsContact O-N 3.07Å; L596-G599 PolarHBondContact O-N 3.35Å; L596-G599 VanDerWaalsContact O-N 3.16Å; D597-G599 VanDerWaalsContact C-N 3.3Å; D597-G599 PolarHBondContact O-N 3.01Å; G599-D601 VanDerWaalsContact C-N 3.26Å; G599-D601 PolarHBondContact O-N 2.87Å
600	A	90.3	Very high	89.7	Confident	8 Å²	8	31.7 Å²	31.7	7%	0.066	19%	0.185	C	C	.	.			trans	-80.4	69.7	179.2	0	0	0	0	0	111.5	A595 N598 N602 V603 V604	A595-A600 HydrophobicContact CB-CB 4.23Å; A595-A600 PolarHBondContact O-N 3.36Å; N598-A600 VanDerWaalsContact C-N 3.35Å; A600-N602 VanDerWaalsContact C-OD1 3.3Å; A600-N602 PolarHBondContact O-N 3Å; A600-N602 PolarHBondContact O-OD1 3.33Å; A600-V603 HydrophobicContact CB-CB 3.96Å; A600-V603 HydrophobicContact CB-CG2 4.09Å; A600-V603 PolarHBondContact O-N 3.17Å; A600-V604 PolarHBondContact O-N 3.08Å
601	D	86.4	Confident	89.3	Confident	35 Å²	35	39 Å²	39	19%	0.187	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-33.3	-173.7	-56.6	-25.4	0	0	0	113.6	G599 V603 N605 K636 Y637	G599-D601 VanDerWaalsContact C-N 3.26Å; G599-D601 PolarHBondContact O-N 2.87Å; D601-V603 VanDerWaalsContact C-N 3.34Å; D601-V603 PolarHBondContact O-N 3.01Å; D601-N605 PolarHBondContact O-N 3.05Å; D601-N605 PolarHBondContact O-ND2 2.96Å; D601-K636 VanDerWaalsContact OD2-CD 3.3Å; D601-K636 WeakPolarHBondContact OD2-CD 3.33Å; D601-K636 IonicContact OD2-NZ 2.69Å; D601-K636 PolarHBondContact OD2-NZ 2.92Å; D601-Y637 WeakPolarHBondContact CA-OH 3.45Å; D601-Y637 HydrophobicContact CB-CE1 4.05Å; D601-Y637 WeakPolarHBondContact CB-OH 3.37Å; D601-Y637 PolarHBondContact OD1-OH 2.97Å
602	N	89.5	Confident	88.5	Confident	73 Å²	73	39.5 Å²	39.5	39%	0.39	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-38.1	172.4	58.9	-15.9	0	0	0	112.8	G566 N568 A600 V606	G566-N602 PolarHBondContact O-ND2 2.55Å; N568-N602 HydrophobicContact CB-CB 4.15Å; N568-N602 VanDerWaalsContact CB-ND2 3.34Å; N568-N602 WeakPolarHBondContact CB-ND2 3.44Å; N568-N602 PolarHBondContact ND2-O 2.88Å; A600-N602 VanDerWaalsContact C-OD1 3.3Å; A600-N602 PolarHBondContact O-N 3Å; A600-N602 PolarHBondContact O-OD1 3.33Å; N602-V606 WeakPolarHBondContact O-CG2 3.45Å; N602-V606 PolarHBondContact O-N 3.44Å
603	V	92.5	Very high	87.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-77.1	-39.7	179.1	173.3	0	0	0	0	111.1	N568 T571 A595 A600 D601 N605 V606 L607	N568-V603 HydrophobicContact CB-CG2 4.22Å; T571-V603 HydrophobicContact CG2-CG1 3.75Å; A595-V603 HydrophobicContact CB-CB 4.09Å; A595-V603 HydrophobicContact CB-CG1 3.77Å; A600-V603 HydrophobicContact CB-CB 3.96Å; A600-V603 HydrophobicContact CB-CG2 4.09Å; A600-V603 PolarHBondContact O-N 3.17Å; D601-V603 VanDerWaalsContact C-N 3.34Å; D601-V603 PolarHBondContact O-N 3.01Å; V603-N605 VanDerWaalsContact C-N 3.27Å; V603-N605 PolarHBondContact O-N 3.04Å; V603-V606 PolarHBondContact O-N 2.96Å; V603-V606 VanDerWaalsContact O-N 3.09Å; V603-L607 HydrophobicContact CG1-CD1 3.67Å; V603-L607 HydrophobicContact CG1-CG 4.07Å; V603-L607 WeakPolarHBondContact O-CG 3.4Å; V603-L607 PolarHBondContact O-N 3.42Å
604	V	89.6	Confident	87	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-55.5	-45.6	176	175.3	0	0	0	0	110.7	M592 A595 L596 A600 V606 L607 A608 Y637 L639	M592-V604 HydrophobicContact CG-CG1 4.43Å; A595-V604 HydrophobicContact CB-CG2 3.75Å; L596-V604 HydrophobicContact CD2-CG1 4.33Å; L596-V604 HydrophobicContact CD2-CG2 3.85Å; L596-V604 HydrophobicContact CG-CG2 3.88Å; A600-V604 PolarHBondContact O-N 3.08Å; V604-V606 PolarHBondContact O-N 3.5Å; V604-L607 PolarHBondContact O-N 3.18Å; V604-A608 WeakPolarHBondContact O-CB 3.41Å; V604-A608 PolarHBondContact O-N 2.57Å; V604-Y637 HydrophobicContact CB-CD1 4.41Å; V604-Y637 HydrophobicContact CB-CE1 3.7Å; V604-Y637 HydrophobicContact CG1-CD1 3.81Å; V604-Y637 HydrophobicContact CG1-CE1 3.56Å; V604-Y637 HydrophobicContact CG1-CG 4.36Å; V604-Y637 HydrophobicContact CG2-CE1 4.44Å; V604-L639 HydrophobicContact CG1-CD2 4.42Å
605	N	87.5	Confident	86.1	Confident	87 Å²	87	47 Å²	47	47%	0.465	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-42.9	176.7	-72.1	-26.9	0	0	0	112.4	D601 V603 A608 V609 Y637	D601-N605 PolarHBondContact O-N 3.05Å; D601-N605 PolarHBondContact O-ND2 2.96Å; V603-N605 VanDerWaalsContact C-N 3.27Å; V603-N605 PolarHBondContact O-N 3.04Å; N605-A608 PolarHBondContact O-N 3.18Å; N605-V609 WeakPolarHBondContact O-CG2 3.48Å; N605-V609 PolarHBondContact O-N 2.97Å; N605-Y637 WeakPolarHBondContact OD1-CD1 3.49Å
606	V	90.5	Very high	85	Confident	22 Å²	22	48 Å²	48	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-44.1	178.6	170.9	0	0	0	0	111.3	N568 T571 L575 N602 V603 V604 A608 V609 H610	N568-V606 WeakPolarHBondContact ND2-CG2 3.12Å; T571-V606 HydrophobicContact CG2-CG1 4.27Å; L575-V606 HydrophobicContact CD1-CG1 3.55Å; N602-V606 WeakPolarHBondContact O-CG2 3.45Å; N602-V606 PolarHBondContact O-N 3.44Å; V603-V606 PolarHBondContact O-N 2.96Å; V603-V606 VanDerWaalsContact O-N 3.09Å; V604-V606 PolarHBondContact O-N 3.5Å; V606-A608 VanDerWaalsContact C-N 3.33Å; V606-A608 PolarHBondContact O-N 3.46Å; V606-V609 PolarHBondContact O-N 3.28Å; V606-H610 PolarHBondContact O-N 3.46Å; V606-H610 VanDerWaalsContact O-N 3.08Å; V606-H610 PolarHBondContact O-ND1 3.49Å
607	L	89.6	Confident	84.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-39.6	177.2	-72.3	168.2	0	0	0	111.7	L559 T571 L575 P581 P591 M592 A595 V603 V604 H610 K611 A612	L559-L607 HydrophobicContact CD1-CD2 4.41Å; L559-L607 HydrophobicContact CD2-CD2 4.16Å; T571-L607 HydrophobicContact CG2-CD2 4.44Å; T571-L607 HydrophobicContact CG2-CG 4.47Å; L575-L607 HydrophobicContact CD1-CD2 4Å; L575-L607 HydrophobicContact CD2-CD2 4.29Å; P581-L607 HydrophobicContact CB-CD2 4.36Å; P591-L607 HydrophobicContact CB-CD1 4.03Å; P591-L607 HydrophobicContact CB-CD2 4.09Å; M592-L607 HydrophobicContact CB-CD1 3.9Å; M592-L607 HydrophobicContact CE-CB 3.62Å; A595-L607 HydrophobicContact CB-CD1 4.25Å; V603-L607 HydrophobicContact CG1-CD1 3.67Å; V603-L607 HydrophobicContact CG1-CG 4.07Å; V603-L607 WeakPolarHBondContact O-CG 3.4Å; V603-L607 PolarHBondContact O-N 3.42Å; V604-L607 PolarHBondContact O-N 3.18Å; L607-H610 CarbonylContact O-C 3.59Å; L607-H610 PolarHBondContact O-N 3.42Å; L607-K611 PolarHBondContact O-N 3.34Å; L607-A612 HydrophobicContact CB-CB 4.05Å; L607-A612 VanDerWaalsContact O-CB 3.25Å; L607-A612 WeakPolarHBondContact O-CB 3.46Å; L607-A612 PolarHBondContact O-N 2.71Å
608	A	84.9	Confident	83.5	Confident	46 Å²	46	48.1 Å²	48.1	38%	0.38	28%	0.279	S	S	.	.	H	α-helix	trans	-63.2	-41.6	175.8	0	0	0	0	0	112.1	M592 V604 N605 V606 H610 K611	M592-A608 HydrophobicContact CE-CB 3.95Å; V604-A608 WeakPolarHBondContact O-CB 3.41Å; V604-A608 PolarHBondContact O-N 2.57Å; N605-A608 PolarHBondContact O-N 3.18Å; V606-A608 VanDerWaalsContact C-N 3.33Å; V606-A608 PolarHBondContact O-N 3.46Å; A608-H610 VanDerWaalsContact C-N 3.26Å; A608-H610 PolarHBondContact O-N 3.48Å; A608-K611 PolarHBondContact O-N 2.75Å
609	V	88	Confident	82.9	Confident	116 Å²	116	46.8 Å²	46.8	70%	0.703	27%	0.272	S	S	*	.	H	α-helix	trans	-62	-35.4	174.7	170	0	0	0	0	111.6	N605 V606 K611	N605-V609 WeakPolarHBondContact O-CG2 3.48Å; N605-V609 PolarHBondContact O-N 2.97Å; V606-V609 PolarHBondContact O-N 3.28Å; V609-K611 PolarHBondContact O-N 2.85Å
610	H	85.3	Confident	82.2	Confident	65 Å²	65	51.7 Å²	51.7	30%	0.301	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	23.4	178.4	-66.9	81.5	0	0	0	113.7	L575 P581 V606 L607 A608 A612	L575-H610 HydrophobicContact CB-CB 4.49Å; L575-H610 HydrophobicContact CD1-CB 4.13Å; L575-H610 HydrophobicContact CD2-CB 4.02Å; L575-H610 HydrophobicContact CG-CB 4.45Å; P581-H610 WeakPolarHBondContact CG-O 3.27Å; V606-H610 PolarHBondContact O-N 3.46Å; V606-H610 VanDerWaalsContact O-N 3.08Å; V606-H610 PolarHBondContact O-ND1 3.49Å; L607-H610 CarbonylContact O-C 3.59Å; L607-H610 PolarHBondContact O-N 3.42Å; A608-H610 VanDerWaalsContact C-N 3.26Å; A608-H610 PolarHBondContact O-N 3.48Å; H610-A612 VanDerWaalsContact C-N 3.33Å; H610-A612 PolarHBondContact O-N 2.76Å
611	K	81.5	Confident	81.3	Confident	155 Å²	155	53.4 Å²	53.4	67%	0.674	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	37.6	174.8	-53.7	178.8	-178	173.9	0	114.1	L607 A608 V609 D613	L607-K611 PolarHBondContact O-N 3.34Å; A608-K611 PolarHBondContact O-N 2.75Å; V609-K611 PolarHBondContact O-N 2.85Å; K611-D613 PolarHBondContact O-N 2.65Å
612	A	77.5	Confident	80.8	Confident	11 Å²	11	56.5 Å²	56.5	9%	0.091	32%	0.321	C	S	.	.			trans	-56.2	136.3	168.1	0	0	0	0	0	110.8	P581 M592 L607 H610 V614	P581-A612 HydrophobicContact CB-CB 3.93Å; M592-A612 HydrophobicContact CE-CB 3.77Å; L607-A612 HydrophobicContact CB-CB 4.05Å; L607-A612 VanDerWaalsContact O-CB 3.25Å; L607-A612 WeakPolarHBondContact O-CB 3.46Å; L607-A612 PolarHBondContact O-N 2.71Å; H610-A612 VanDerWaalsContact C-N 3.33Å; H610-A612 PolarHBondContact O-N 2.76Å; A612-V614 PolarHBondContact O-N 2.96Å
613	D	75.4	Confident	80.4	Confident	70 Å²	70	54.3 Å²	54.3	37%	0.374	31%	0.309	S	S	.	.			trans	-76.6	114.5	-178.5	-170.5	-9.9	0	0	0	109.9	S582 K611 A615 L616	S582-D613 PolarHBondContact OG-N 2.94Å; K611-D613 PolarHBondContact O-N 2.65Å; D613-A615 WeakPolarHBondContact OD1-CB 3.39Å; D613-A615 PolarHBondContact OD1-N 3.08Å; D613-L616 HydrophobicContact CB-CD1 4.01Å; D613-L616 HydrophobicContact CB-CG 4.09Å
614	V	76.7	Confident	79.8	Confident	42 Å²	42	54.3 Å²	54.3	26%	0.255	31%	0.309	S	S	.	.	S	Bend	trans	-86	-8.2	-179	-58.6	0	0	0	0	112.9	M592 A612 V624	M592-V614 HydrophobicContact SD-CG1 4.18Å; A612-V614 PolarHBondContact O-N 2.96Å; V614-V624 HydrophobicContact CB-CG2 3.52Å; V614-V624 HydrophobicContact CG1-CG2 3.8Å
615	A	74.1	Confident	79.3	Confident	63 Å²	63	57.1 Å²	57.1	52%	0.521	32%	0.324	S	S	.	.	S	Bend	trans	-88.1	-21.3	-178.3	0	0	0	0	0	113.2	D613 V617	D613-A615 WeakPolarHBondContact OD1-CB 3.39Å; D613-A615 PolarHBondContact OD1-N 3.08Å; A615-V617 PolarHBondContact O-N 2.86Å
616	L	69.2	Low	78.7	Confident	23 Å²	23	55.7 Å²	55.7	12%	0.12	31%	0.314	C	S	.	.			trans	-61.2	135.2	178.8	-67.2	174.8	0	0	0	111.1	S582 Q584 T590 H593 D613 N623	S582-L616 WeakPolarHBondContact O-CD1 3.35Å; Q584-L616 HydrophobicContact CG-CD1 4.4Å; T590-L616 HydrophobicContact CG2-CB 4.03Å; T590-L616 HydrophobicContact CG2-CD1 3.78Å; H593-L616 PolarHBondContact CE1-O 2.91Å; H593-L616 VanDerWaalsContact CE1-O 3.32Å; D613-L616 HydrophobicContact CB-CD1 4.01Å; D613-L616 HydrophobicContact CB-CG 4.09Å; L616-N623 VanDerWaalsContact O-CA 3.28Å; L616-N623 WeakPolarHBondContact O-CA 3.47Å; L616-N623 VanDerWaalsContact O-CB 3.25Å; L616-N623 WeakPolarHBondContact O-CB 3.41Å
617	V	72.5	Confident	77.9	Confident	70 Å²	70	55 Å²	55	42%	0.424	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-104.3	140.7	177.3	-65.4	0	0	0	0	110.6	Q584 A615 G621 Y622 N623	Q584-V617 PolarHBondContact NE2-O 2.98Å; A615-V617 PolarHBondContact O-N 2.86Å; V617-G621 WeakPolarHBondContact CG1-O 3.46Å; V617-Y622 CarbonylContact C-O 3.58Å; V617-Y622 VanDerWaalsContact CA-O 3.28Å; V617-Y622 WeakPolarHBondContact CA-O 3.32Å; V617-N623 HydrophobicContact CG1-CB 4Å
618	N	75.5	Confident	77.3	Confident	11 Å²	11	55.1 Å²	55.1	6%	0.059	31%	0.31	C	S	.	.			trans	-74.7	179.7	169.7	72.6	5.6	0	0	0	111.7	G588 D589 D620 G621 Y622	G588-N618 WeakPolarHBondContact O-CA 3.35Å; D589-N618 WeakPolarHBondContact OD1-CB 3.3Å; D589-N618 PolarHBondContact OD1-ND2 2.86Å; N618-D620 PolarHBondContact O-N 3.36Å; N618-D620 VanDerWaalsContact O-N 3.13Å; N618-D620 PolarHBondContact OD1-N 2.95Å; N618-D620 VanDerWaalsContact OD1-N 3.14Å; N618-G621 PolarHBondContact O-N 3.2Å; N618-G621 PolarHBondContact OD1-N 2.77Å; N618-Y622 PolarHBondContact N-O 2.72Å; N618-Y622 PolarHBondContact OD1-N 2.84Å; N618-Y622 PolarHBondContact OD1-O 3.28Å
619	N	77.6	Confident	76.7	Confident	63 Å²	63	57.7 Å²	57.7	34%	0.337	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18	-177	-72.9	-20.4	0	0	0	114	R186 I586 N587 G621	R186-N619 VanDerWaalsContact CD-OD1 3.3Å; R186-N619 WeakPolarHBondContact CD-OD1 3.33Å; R186-N619 PolarHBondContact NH1-ND2 3.45Å; R186-N619 VanDerWaalsContact NH1-ND2 3.13Å; R186-N619 PolarHBondContact NH1-OD1 3.38Å; I586-N619 PolarHBondContact O-ND2 3.42Å; N587-N619 VanDerWaalsContact CA-ND2 3.25Å; N587-N619 WeakPolarHBondContact CA-ND2 3.3Å; N587-N619 WeakPolarHBondContact O-CB 3.49Å; N587-N619 PolarHBondContact O-N 2.83Å; N587-N619 PolarHBondContact O-ND2 2.72Å; N619-G621 VanDerWaalsContact C-N 3.3Å
620	D	72.8	Confident	76	Confident	126 Å²	126	58.7 Å²	58.7	67%	0.674	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	0.9	175.5	-61.6	-40.5	0	0	0	112.2	N618 Y622	N618-D620 PolarHBondContact O-N 3.36Å; N618-D620 VanDerWaalsContact O-N 3.13Å; N618-D620 PolarHBondContact OD1-N 2.95Å; N618-D620 VanDerWaalsContact OD1-N 3.14Å; D620-Y622 HydrophobicContact CB-CD2 3.57Å; D620-Y622 HydrophobicContact CB-CE2 3.77Å
621	G	71	Confident	75.6	Confident	43 Å²	43	57.9 Å²	57.9	44%	0.443	31%	0.306	S	S	.	.	S	Bend	trans	83.8	6.5	-179.4	0	0	0	0	0	114.4	V617 N618 N619	V617-G621 WeakPolarHBondContact CG1-O 3.46Å; N618-G621 PolarHBondContact O-N 3.2Å; N618-G621 PolarHBondContact OD1-N 2.77Å; N619-G621 VanDerWaalsContact C-N 3.3Å
622	Y	75.1	Confident	74.8	Confident	100 Å²	100	59.5 Å²	59.5	39%	0.392	31%	0.313	S	S	.	.			trans	-90.9	130.4	180	-62	-61.2	0	0	0	110.9	H593 V617 N618 D620 H626	H593-Y622 PolarHBondContact NE2-O 3.14Å; H593-Y622 VanDerWaalsContact NE2-O 3.16Å; V617-Y622 CarbonylContact C-O 3.58Å; V617-Y622 VanDerWaalsContact CA-O 3.28Å; V617-Y622 WeakPolarHBondContact CA-O 3.32Å; N618-Y622 PolarHBondContact N-O 2.72Å; N618-Y622 PolarHBondContact OD1-N 2.84Å; N618-Y622 PolarHBondContact OD1-O 3.28Å; D620-Y622 HydrophobicContact CB-CD2 3.57Å; D620-Y622 HydrophobicContact CB-CE2 3.77Å; Y622-H626 HydrophobicContact CD1-CB 3.56Å; Y622-H626 HydrophobicContact CG-CB 4.14Å
623	N	81.4	Confident	74	Confident	27 Å²	27	62.3 Å²	62.3	14%	0.144	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-88.3	175.8	163.4	69.6	23.7	0	0	0	110.8	H593 L616 V617 I625 H626 E627	H593-N623 VanDerWaalsContact NE2-C 3.26Å; H593-N623 WeakPolarHBondContact NE2-CA 3.42Å; L616-N623 VanDerWaalsContact O-CA 3.28Å; L616-N623 WeakPolarHBondContact O-CA 3.47Å; L616-N623 VanDerWaalsContact O-CB 3.25Å; L616-N623 WeakPolarHBondContact O-CB 3.41Å; V617-N623 HydrophobicContact CG1-CB 4Å; N623-I625 PolarHBondContact O-N 2.91Å; N623-I625 VanDerWaalsContact O-N 3.1Å; N623-I625 WeakPolarHBondContact OD1-CA 3.3Å; N623-I625 WeakPolarHBondContact OD1-CB 3.31Å; N623-I625 PolarHBondContact OD1-N 3.27Å; N623-H626 PolarHBondContact N-ND1 2.77Å; N623-H626 PolarHBondContact ND2-ND1 3.32Å; N623-H626 WeakPolarHBondContact O-CB 3.25Å; N623-H626 PolarHBondContact O-N 3.23Å; N623-H626 PolarHBondContact OD1-N 3.07Å; N623-H626 PolarHBondContact OD1-ND1 3.42Å; N623-E627 PolarHBondContact O-N 3.49Å
624	V	80.6	Confident	73	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.1	-26.5	-177.9	-57.9	0	0	0	0	113.5	M592 H593 L596 V614 A628	M592-V624 HydrophobicContact CB-CG1 3.95Å; M592-V624 HydrophobicContact CG-CB 4.25Å; M592-V624 HydrophobicContact CG-CG1 3.86Å; M592-V624 HydrophobicContact SD-CB 4.07Å; M592-V624 HydrophobicContact SD-CG1 3.99Å; M592-V624 HydrophobicContact SD-CG2 3.93Å; H593-V624 VanDerWaalsContact CE1-CG1 3.48Å; H593-V624 WeakPolarHBondContact CE1-CG1 3.39Å; H593-V624 PolarHBondContact NE2-N 2.76Å; L596-V624 HydrophobicContact CD1-CB 3.78Å; L596-V624 HydrophobicContact CD1-CG1 4.48Å; L596-V624 WeakPolarHBondContact CD1-O 3.38Å; V614-V624 HydrophobicContact CB-CG2 3.52Å; V614-V624 HydrophobicContact CG1-CG2 3.8Å; V624-A628 WeakPolarHBondContact O-CB 3.47Å; V624-A628 PolarHBondContact O-N 2.84Å
625	I	77.6	Confident	71.6	Confident	59 Å²	59	66 Å²	66	30%	0.303	35%	0.351	S	S	.	.	H	α-helix	trans	-74.1	-44.1	176.5	-58.5	177.3	0	0	0	109.9	N623 E627 A628 L629	N623-I625 PolarHBondContact O-N 2.91Å; N623-I625 VanDerWaalsContact O-N 3.1Å; N623-I625 WeakPolarHBondContact OD1-CA 3.3Å; N623-I625 WeakPolarHBondContact OD1-CB 3.31Å; N623-I625 PolarHBondContact OD1-N 3.27Å; I625-E627 VanDerWaalsContact C-N 3.26Å; I625-E627 PolarHBondContact O-N 3.11Å; I625-A628 PolarHBondContact O-N 2.96Å; I625-L629 HydrophobicContact CG2-CD1 4.15Å; I625-L629 WeakPolarHBondContact O-CB 3.24Å; I625-L629 WeakPolarHBondContact O-CG 3.37Å; I625-L629 PolarHBondContact O-N 2.88Å
626	H	76.5	Confident	70.6	Confident	57 Å²	57	69.6 Å²	69.6	26%	0.264	36%	0.355	S	S	.	.	H	α-helix	trans	-59.3	-42.1	172.7	-64.1	100.3	0	0	0	111	Y622 N623 L629 R630	Y622-H626 HydrophobicContact CD1-CB 3.56Å; Y622-H626 HydrophobicContact CG-CB 4.14Å; N623-H626 PolarHBondContact N-ND1 2.77Å; N623-H626 PolarHBondContact ND2-ND1 3.32Å; N623-H626 WeakPolarHBondContact O-CB 3.25Å; N623-H626 PolarHBondContact O-N 3.23Å; N623-H626 PolarHBondContact OD1-N 3.07Å; N623-H626 PolarHBondContact OD1-ND1 3.42Å; H626-L629 WeakPolarHBondContact O-CB 3.36Å; H626-L629 PolarHBondContact O-N 3.08Å; H626-R630 WeakPolarHBondContact O-CB 3.48Å; H626-R630 PolarHBondContact O-N 3.11Å
627	E	74.2	Confident	69.9	Low	9 Å²	9	69.5 Å²	69.5	4%	0.042	35%	0.353	C	S	.	.	H	α-helix	trans	-65.9	-43.7	179.7	-166.7	55.5	-153	0	0	111.8	L596 N623 I625 L629 R630 L631	L596-E627 HydrophobicContact CB-CG 4.26Å; L596-E627 HydrophobicContact CD1-CB 4.4Å; N623-E627 PolarHBondContact O-N 3.49Å; I625-E627 VanDerWaalsContact C-N 3.26Å; I625-E627 PolarHBondContact O-N 3.11Å; E627-L629 VanDerWaalsContact C-N 3.3Å; E627-L629 PolarHBondContact O-N 3.04Å; E627-R630 PolarHBondContact O-N 3.13Å; E627-R630 IonicContact OE1-CZ 3.26Å; E627-R630 VanDerWaalsContact OE1-CZ 3.26Å; E627-R630 IonicContact OE1-NE 3.1Å; E627-R630 PolarHBondContact OE1-NE 3.01Å; E627-R630 VanDerWaalsContact OE1-NE 3.1Å; E627-R630 IonicContact OE1-NH2 2.63Å; E627-R630 PolarHBondContact OE1-NH2 3.44Å; E627-R630 IonicContact OE2-CZ 3.79Å; E627-R630 IonicContact OE2-NE 2.94Å; E627-R630 PolarHBondContact OE2-NE 3.26Å; E627-R630 IonicContact OE2-NH2 3.81Å; E627-L631 HydrophobicContact CG-CD1 4.18Å; E627-L631 WeakPolarHBondContact O-CB 3.38Å; E627-L631 VanDerWaalsContact O-CG 3.32Å; E627-L631 WeakPolarHBondContact O-CG 3.31Å; E627-L631 PolarHBondContact O-N 2.77Å
628	A	75.4	Confident	68.8	Low	1 Å²	1	74.4 Å²	74.4	1%	0.008	38%	0.377	C	S	.	.	H	α-helix	trans	-61.6	-36.7	173.4	0	0	0	0	0	112.6	L596 V624 I625 K632 R633 T634 L639	L596-A628 HydrophobicContact CD1-CB 4.19Å; L596-A628 HydrophobicContact CD2-CB 4.08Å; V624-A628 WeakPolarHBondContact O-CB 3.47Å; V624-A628 PolarHBondContact O-N 2.84Å; I625-A628 PolarHBondContact O-N 2.96Å; A628-K632 PolarHBondContact O-N 2.77Å; A628-R633 PolarHBondContact O-N 3.08Å; A628-T634 HydrophobicContact CB-CG2 4.3Å; A628-L639 HydrophobicContact CB-CD1 4.37Å
629	L	72.8	Confident	67.7	Low	101 Å²	101	75 Å²	75	53%	0.529	38%	0.38	S	S	.	.	H	α-helix	trans	-68.3	-47.1	174.2	-76.8	165.3	0	0	0	111.8	I625 H626 E627 L631 K632 T634	I625-L629 HydrophobicContact CG2-CD1 4.15Å; I625-L629 WeakPolarHBondContact O-CB 3.24Å; I625-L629 WeakPolarHBondContact O-CG 3.37Å; I625-L629 PolarHBondContact O-N 2.88Å; H626-L629 WeakPolarHBondContact O-CB 3.36Å; H626-L629 PolarHBondContact O-N 3.08Å; E627-L629 VanDerWaalsContact C-N 3.3Å; E627-L629 PolarHBondContact O-N 3.04Å; L629-L631 PolarHBondContact O-N 2.95Å; L629-K632 PolarHBondContact O-N 3.1Å; L629-T634 HydrophobicContact CB-CG2 4.28Å; L629-T634 HydrophobicContact CD2-CG2 3.35Å; L629-T634 HydrophobicContact CG-CG2 3.56Å
630	R	74.4	Confident	65.9	Low	136 Å²	136	77.5 Å²	77.5	51%	0.513	40%	0.397	S	S	.	.	H	α-helix	trans	-54.6	-40.4	177.7	-170.9	-178.1	78.9	88.4	0.6	111.2	D597 H626 E627	D597-R630 IonicContact OD1-NH2 3.29Å; D597-R630 PolarHBondContact OD1-NH2 3.43Å; H626-R630 WeakPolarHBondContact O-CB 3.48Å; H626-R630 PolarHBondContact O-N 3.11Å; E627-R630 PolarHBondContact O-N 3.13Å; E627-R630 IonicContact OE1-CZ 3.26Å; E627-R630 VanDerWaalsContact OE1-CZ 3.26Å; E627-R630 IonicContact OE1-NE 3.1Å; E627-R630 PolarHBondContact OE1-NE 3.01Å; E627-R630 VanDerWaalsContact OE1-NE 3.1Å; E627-R630 IonicContact OE1-NH2 2.63Å; E627-R630 PolarHBondContact OE1-NH2 3.44Å; E627-R630 IonicContact OE2-CZ 3.79Å; E627-R630 IonicContact OE2-NE 2.94Å; E627-R630 PolarHBondContact OE2-NE 3.26Å; E627-R630 IonicContact OE2-NH2 3.81Å
631	L	75.1	Confident	64	Low	49 Å²	49	82.5 Å²	82.5	26%	0.257	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	3.6	-179	-60.4	171	0	0	0	114.1	L596 E627 L629 R633	L596-L631 HydrophobicContact CB-CD1 4.48Å; L596-L631 VanDerWaalsContact O-CD1 3.27Å; L596-L631 WeakPolarHBondContact O-CD1 3.33Å; E627-L631 HydrophobicContact CG-CD1 4.18Å; E627-L631 WeakPolarHBondContact O-CB 3.38Å; E627-L631 VanDerWaalsContact O-CG 3.32Å; E627-L631 WeakPolarHBondContact O-CG 3.31Å; E627-L631 PolarHBondContact O-N 2.77Å; L629-L631 PolarHBondContact O-N 2.95Å; L631-R633 HydrophobicContact CB-CG 4.12Å; L631-R633 PolarHBondContact O-N 3.24Å
632	K	66.5	Low	62	Low	188 Å²	188	85.9 Å²	85.9	82%	0.817	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	31.6	-175.7	-56.9	-179.7	-179.9	177.8	0	114.1	A628 L629	A628-K632 PolarHBondContact O-N 2.77Å; L629-K632 PolarHBondContact O-N 3.1Å
633	R	60.2	Low	59.8	Low	71 Å²	71	88.2 Å²	88.2	27%	0.268	44%	0.436	S	S	.	.			trans	-95.9	5.7	-178.2	-71	-174.2	162.3	121.9	6.1	114.1	L596 D597 A628 L631 S635 K636 Y637	L596-R633 PolarHBondContact O-NH1 3.28Å; D597-R633 PolarHBondContact O-NH1 3.34Å; A628-R633 PolarHBondContact O-N 3.08Å; L631-R633 HydrophobicContact CB-CG 4.12Å; L631-R633 PolarHBondContact O-N 3.24Å; R633-S635 VanDerWaalsContact C-N 3.32Å; R633-S635 PolarHBondContact O-N 3.3Å; R633-K636 PolarHBondContact O-N 3.28Å; R633-Y637 HydrophobicContact CB-CE2 4.19Å; R633-Y637 WeakPolarHBondContact O-CD2 3.31Å
634	T	53.2	Low	57.3	Low	70 Å²	70	92.7 Å²	92.7	43%	0.429	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-65.3	-25	-172.9	46.7	0	0	0	0	116	A628 L629 K636	A628-T634 HydrophobicContact CB-CG2 4.3Å; L629-T634 HydrophobicContact CB-CG2 4.28Å; L629-T634 HydrophobicContact CD2-CG2 3.35Å; L629-T634 HydrophobicContact CG-CG2 3.56Å; T634-K636 PolarHBondContact O-N 3.32Å; T634-K636 VanDerWaalsContact O-N 3.12Å
635	S	48.2	Very low	55.1	Low	119 Å²	119	98.7 Å²	98.7	83%	0.832	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-70	-9.9	-177.9	84	0	0	0	0	113.8	R633	R633-S635 VanDerWaalsContact C-N 3.32Å; R633-S635 PolarHBondContact O-N 3.3Å
636	K	53.4	Low	52.8	Low	139 Å²	139	104.6 Å²	104.6	60%	0.604	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-99.6	-18.2	-173.8	-75	-166.8	-177.4	-176.4	0	115	D601 R633 T634	D601-K636 VanDerWaalsContact OD2-CD 3.3Å; D601-K636 WeakPolarHBondContact OD2-CD 3.33Å; D601-K636 IonicContact OD2-NZ 2.69Å; D601-K636 PolarHBondContact OD2-NZ 2.92Å; R633-K636 PolarHBondContact O-N 3.28Å; T634-K636 PolarHBondContact O-N 3.32Å; T634-K636 VanDerWaalsContact O-N 3.12Å
637	Y	53.6	Low	50.5	Low	20 Å²	20	107 Å²	107	8%	0.078	56%	0.559	C	S	.	*			trans	-128.1	127.1	-168.4	-47.2	-83.4	0	0	0	113.1	L596 D601 V604 N605 R633 L639	L596-Y637 HydrophobicContact CD2-CE2 4.08Å; D601-Y637 WeakPolarHBondContact CA-OH 3.45Å; D601-Y637 HydrophobicContact CB-CE1 4.05Å; D601-Y637 WeakPolarHBondContact CB-OH 3.37Å; D601-Y637 PolarHBondContact OD1-OH 2.97Å; V604-Y637 HydrophobicContact CB-CD1 4.41Å; V604-Y637 HydrophobicContact CB-CE1 3.7Å; V604-Y637 HydrophobicContact CG1-CD1 3.81Å; V604-Y637 HydrophobicContact CG1-CE1 3.56Å; V604-Y637 HydrophobicContact CG1-CG 4.36Å; V604-Y637 HydrophobicContact CG2-CE1 4.44Å; N605-Y637 WeakPolarHBondContact OD1-CD1 3.49Å; R633-Y637 HydrophobicContact CB-CE2 4.19Å; R633-Y637 WeakPolarHBondContact O-CD2 3.31Å; Y637-L639 HydrophobicContact CD2-CD1 4.38Å; Y637-L639 HydrophobicContact CG-CD1 4.27Å; Y637-L639 HydrophobicContact CG-CG 4.44Å; Y637-L639 PolarHBondContact O-N 2.78Å
638	N	49.6	Very low	48.2	Very low	173 Å²	173	110.1 Å²	110.1	93%	0.925	59%	0.593	S	S	*	*			trans	-75.7	57.1	165.4	-84.3	-19.9	0	0	0	110.6	V640	N638-V640 PolarHBondContact O-N 2.84Å; N638-V640 VanDerWaalsContact O-N 3.13Å
639	L	52.5	Low	46	Very low	23 Å²	23	121 Å²	121	12%	0.12	63%	0.634	C	S	.	*			trans	-71.1	-0.4	178.2	-69.4	166	0	0	0	113.1	M592 V604 A628 Y637	M592-L639 HydrophobicContact SD-CD2 4.28Å; V604-L639 HydrophobicContact CG1-CD2 4.42Å; A628-L639 HydrophobicContact CB-CD1 4.37Å; Y637-L639 HydrophobicContact CD2-CD1 4.38Å; Y637-L639 HydrophobicContact CG-CD1 4.27Å; Y637-L639 HydrophobicContact CG-CG 4.44Å; Y637-L639 PolarHBondContact O-N 2.78Å
640	V	40.5	Very low	43.7	Very low	116 Å²	116	124.4 Å²	124.4	70%	0.703	65%	0.652	S	S	*	*			trans	-103.1	77.3	-178.9	-167	0	0	0	0	109.8	N638	N638-V640 PolarHBondContact O-N 2.84Å; N638-V640 VanDerWaalsContact O-N 3.13Å
641	R	31.4	Very low	41.6	Very low	231 Å²	231	126.1 Å²	126.1	87%	0.872	67%	0.665	S	S	*	*			trans	-115.8	107.4	144.6	-80	-165.8	-169.8	-144.3	3.9	107.1	Q643	R641-Q643 PolarHBondContact O-N 2.74Å; R641-Q643 VanDerWaalsContact O-N 3.15Å
642	P	30	Very low	39.3	Very low	115 Å²	115	129.8 Å²	129.8	75%	0.747	68%	0.684	S	S	*	*			trans	-64.8	118.3	175.9	25.4	-28.9	0	0	0	108
643	Q	28.8	Very low	37.5	Very low	148 Å²	148	125.1 Å²	125.1	69%	0.692	67%	0.674	S	S	*	*			trans	-56.3	138.2	153.8	-72.2	-80.6	1.5	0	0	106.7	R641 V645	R641-Q643 PolarHBondContact O-N 2.74Å; R641-Q643 VanDerWaalsContact O-N 3.15Å; Q643-V645 PolarHBondContact O-N 3.13Å
644	P	28.8	Very low	36.1	Very low	121 Å²	121	128.3 Å²	128.3	79%	0.786	70%	0.695	S	S	*	*			trans	-69.3	87.7	175.1	28.2	-30.2	0	0	0	108.2	Q646	P644-Q646 PolarHBondContact O-N 3.19Å
645	V	33.7	Very low	34.8	Very low	126 Å²	126	132.3 Å²	132.3	76%	0.764	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-72.1	119.2	168.3	-158	0	0	0	0	106.1	Q643 A647	Q643-V645 PolarHBondContact O-N 3.13Å; V645-A647 PolarHBondContact O-N 3.35Å
646	Q	30.8	Very low	33.9	Very low	183 Å²	183	135.1 Å²	135.1	86%	0.855	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-52.3	132.7	172.4	-72.6	-177.6	-19	0	0	109.2	P644	P644-Q646 PolarHBondContact O-N 3.19Å
647	A	26.5	Very low	32.6	Very low	108 Å²	108	131.7 Å²	131.7	89%	0.893	72%	0.717	S	S	*	*	S	Bend	trans	-46.9	132.8	-170.8	0	0	0	0	0	113.5	V645	V645-A647 PolarHBondContact O-N 3.35Å
648	G	26.8	Very low	31.4	Very low	74 Å²	74	137.6 Å²	137.6	76%	0.763	75%	0.754	S	S	*	*			trans	178.1	-26.3	169.2	0	0	0	0	0	119.5
649	R	28.7	Very low	30.4	Very low	231 Å²	231	135.4 Å²	135.4	87%	0.872	75%	0.747	S	S	*	*			trans	-141.6	95.5	178.1	-84.3	-177.9	172.8	171.9	-2.6	112.6	H651	R649-H651 PolarHBondContact O-N 2.89Å
650	L	25.4	Very low	29.6	Very low	172 Å²	172	138.4 Å²	138.4	90%	0.901	77%	0.768	S	S	*	*			trans	-66	106	154.6	-118.8	94.8	0	0	0	106.9
651	H	29.4	Very low	29	Very low	171 Å²	171	144.7 Å²	144.7	79%	0.792	78%	0.779	S	S	*	*			trans	-90.2	117	161	-118.9	96.2	0	0	0	108.4	R649 C653	R649-H651 PolarHBondContact O-N 2.89Å; H651-C653 PolarHBondContact O-N 3.38Å
652	I	27.4	Very low	28.9	Very low	127 Å²	127	139.6 Å²	139.6	65%	0.651	77%	0.768	S	S	*	*			trans	-59.7	115	173.2	-70.6	165.5	0	0	0	108.5	I654	I652-I654 HydrophobicContact CG2-CD1 4Å; I652-I654 HydrophobicContact CG2-CG1 3.64Å
653	C	28.7	Very low	28.8	Very low	90 Å²	90	140.6 Å²	140.6	61%	0.608	77%	0.768	S	S	*	*			trans	-104.7	97.7	155.5	-79.9	0	0	0	0	107.3	H651 L655	H651-C653 PolarHBondContact O-N 3.38Å; C653-L655 PolarHBondContact O-N 3.18Å; C653-L655 VanDerWaalsContact O-N 3.16Å
654	I	29.8	Very low	28.6	Very low	138 Å²	138	139.4 Å²	139.4	71%	0.708	77%	0.772	S	S	*	*			trans	-65.1	111.8	166	-74.7	165.7	0	0	0	107.2	I652	I652-I654 HydrophobicContact CG2-CD1 4Å; I652-I654 HydrophobicContact CG2-CG1 3.64Å
655	L	27	Very low	28.7	Very low	154 Å²	154	137.2 Å²	137.2	81%	0.806	77%	0.765	S	S	*	*			trans	-65.6	124.4	168.7	-72.9	157.7	0	0	0	110	C653	C653-L655 PolarHBondContact O-N 3.18Å; C653-L655 VanDerWaalsContact O-N 3.16Å
656	H	28.9	Very low	28.5	Very low	178 Å²	178	137.3 Å²	137.3	82%	0.824	77%	0.769	S	S	*	*			trans	-129.6	100.4	149.3	-90	-88.4	0	0	0	108.9
657	G	26.6	Very low	28.4	Very low	67 Å²	67	138.3 Å²	138.3	69%	0.691	77%	0.771	S	S	*	*	S	Bend	trans	71.5	121.2	174.8	0	0	0	0	0	112.3
658	V	28.9	Very low	28.6	Very low	143 Å²	143	141.4 Å²	141.4	87%	0.867	77%	0.771	S	S	*	*				-165.9	117.2	50	-170.4	0	0	0	0	107
659	T	28.1	Very low	28.8	Very low	128 Å²	128	143.6 Å²	143.6	79%	0.785	77%	0.773	S	S	*	*			trans	-90.9	170.2	154.4	40.8	0	0	0	0	108.1
660	P	34.8	Very low	28.8	Very low	86 Å²	86	141.4 Å²	141.4	56%	0.558	78%	0.777	S	S	*	*			cis	-142.4	163.7	3.8	30.5	-8.8	0	0	0	115.6	I662	P660-I662 HydrophobicContact CB-CG1 4.34Å
661	W	28.5	Very low	29	Very low	247 Å²	247	136.6 Å²	136.6	94%	0.936	77%	0.769	S	S	*	*			trans	-150.5	89.1	138.9	-83.1	95.2	0	0	0	106.5
662	I	28.7	Very low	29.1	Very low	124 Å²	124	134.4 Å²	134.4	64%	0.636	77%	0.767	S	S	*	*				56.9	95.2	93.1	-56.3	176.4	0	0	0	112.5	P660	P660-I662 HydrophobicContact CB-CG1 4.34Å
663	N	27.8	Very low	29.1	Very low	137 Å²	137	138 Å²	138	73%	0.733	78%	0.779	S	S	*	*			trans	-79.3	119.4	155.4	-176.5	0.7	0	0	0	108.1	A665	N663-A665 VanDerWaalsContact C-N 3.28Å; N663-A665 PolarHBondContact O-N 3.22Å
664	P	26	Very low	29.2	Very low	122 Å²	122	144.4 Å²	144.4	79%	0.792	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	66.6	-178	34.1	-33.5	0	0	0	111.4
665	A	29.4	Very low	29.2	Very low	76 Å²	76	146.4 Å²	146.4	63%	0.628	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.5	-11.2	175.1	0	0	0	0	0	117.4	N663	N663-A665 VanDerWaalsContact C-N 3.28Å; N663-A665 PolarHBondContact O-N 3.22Å
666	C	31	Very low	29.2	Very low	127 Å²	127	146.8 Å²	146.8	86%	0.858	80%	0.799	S	S	*	*			trans	-133.1	104.5	-179.4	-76.9	0	0	0	0	112.5
667	K	27.8	Very low	29.3	Very low	205 Å²	205	144.3 Å²	144.3	89%	0.891	80%	0.797	S	S	*	*			trans	-70.9	135	160.8	-69.6	176.5	175.9	177.7	0	108.6
668	L	30	Very low	29.2	Very low	172 Å²	172	150.2 Å²	150.2	90%	0.901	81%	0.806	S	S	*	*			trans	177.4	149.2	137.3	-89.5	167	0	0	0	108.6
669	P	32.7	Very low	29.5	Very low	121 Å²	121	150.1 Å²	150.1	79%	0.786	81%	0.806	S	S	*	*			trans	-95.7	154.9	-145.7	1.9	19.2	0	0	0	115.1
670	L	27.8	Very low	29.8	Very low	185 Å²	185	147.3 Å²	147.3	97%	0.969	80%	0.802	S	S	*	*			trans	-67.4	133	174.4	-76.7	151.5	0	0	0	112.8
671	G	29.4	Very low	29.7	Very low	70 Å²	70	147.2 Å²	147.2	72%	0.722	82%	0.816	S	S	*	*			trans	151.5	74.7	159.7	0	0	0	0	0	116.1
672	T	30.9	Very low	29.7	Very low	125 Å²	125	141 Å²	141	77%	0.767	82%	0.817	S	S	*	*			trans	-162.9	124.3	151.5	-11.1	0	0	0	0	111.6
673	K	27.4	Very low	30	Very low	204 Å²	204	138.8 Å²	138.8	89%	0.887	83%	0.825	S	S	*	*			trans	-81.1	142.4	164.4	-76	178.8	174	179.6	0	108.6
674	W	31.2	Very low	30.1	Very low	223 Å²	223	139.6 Å²	139.6	85%	0.845	83%	0.83	S	S	*	*			trans	-129.3	123.2	164.3	-77.7	91.2	0	0	0	111.2
675	Q	30.1	Very low	30.4	Very low	180 Å²	180	140.1 Å²	140.1	84%	0.841	83%	0.831	S	S	*	*			trans	-78.4	154.7	161.6	-74.4	171.7	-63.7	0	0	110.2
676	N	26.9	Very low	30.4	Very low	162 Å²	162	147.3 Å²	147.3	87%	0.866	84%	0.841	S	S	*	*			trans	-5.1	126.5	162.3	-65.2	-18.6	0	0	0	118.8
677	V	30.9	Very low	30.4	Very low	127 Å²	127	146.5 Å²	146.5	77%	0.77	84%	0.837	S	S	*	*			trans	-142.1	126.7	150.9	179	0	0	0	0	109.8
678	Q	25.7	Very low	30.4	Very low	190 Å²	190	148.2 Å²	148.2	89%	0.888	84%	0.838	S	S	*	*			trans	-70.2	146.1	169.9	-67.4	175	-62	0	0	111.2
679	V	34.6	Very low	30.4	Very low	142 Å²	142	150.2 Å²	150.2	86%	0.861	84%	0.84	S	S	*	*			trans	-140.7	124.7	158.7	-171.4	0	0	0	0	109.7
680	G	33.8	Very low	30.3	Very low	68 Å²	68	153.7 Å²	153.7	70%	0.701	85%	0.846	S	S	*	*			trans	-98.2	179.8	173.6	0	0	0	0	0	113.6
681	G	32.3	Very low	30.6	Very low	84 Å²	84	149.9 Å²	149.9	87%	0.866	84%	0.841	S	S	*	*			trans	89.1	120.2	152.3	0	0	0	0	0	117.2
682	A	29.9	Very low	30.7	Very low	116 Å²	116	149.9 Å²	149.9	96%	0.959	84%	0.841	S	S	*	*			trans	-76.4	155	-178.5	0	0	0	0	0	114.3
683	G	34.2	Very low	30.8	Very low	78 Å²	78	152.7 Å²	152.7	80%	0.804	85%	0.85	S	S	*	*			trans	-172.5	109	169.7	0	0	0	0	0	111.4
684	D	30.5	Very low	31	Very low	155 Å²	155	146.4 Å²	146.4	83%	0.829	84%	0.843	S	S	*	*			trans	-70.6	122.2	-177.4	-174.4	17.6	0	0	0	112.6
685	V	31.2	Very low	31.1	Very low	133 Å²	133	144.6 Å²	144.6	81%	0.806	84%	0.841	S	S	*	*			trans	-152.7	106.7	158.5	-172.2	0	0	0	0	110.6
686	R	29.6	Very low	31	Very low	226 Å²	226	142.9 Å²	142.9	85%	0.853	85%	0.847	S	S	*	*			trans	-50.6	146.9	155.4	-94	173.3	162.8	160	-5.1	110.9
687	S	30.9	Very low	31.3	Very low	110 Å²	110	143.9 Å²	143.9	77%	0.769	84%	0.844	S	S	*	*			trans	81.4	96.8	164.7	75.7	0	0	0	0	117.8
688	R	29.3	Very low	31.6	Very low	241 Å²	241	141.5 Å²	141.5	91%	0.909	84%	0.838	S	S	*	*			trans	175.4	94.7	138.4	-107.1	176	169.5	166.1	-2.5	109.3
689	F	28.4	Very low	32.1	Very low	215 Å²	215	139.6 Å²	139.6	94%	0.943	83%	0.834	S	S	*	*			trans	-163.1	65	145.5	-108.1	-75.1	0	0	0	107.8
690	E	30.8	Very low	32.2	Very low	194 Å²	194	139.8 Å²	139.8	91%	0.907	83%	0.83	S	S	*	*			trans	-118.5	114.7	154.6	-83	-174.4	159.8	0	0	106.4
691	A	34.3	Very low	32.5	Very low	105 Å²	105	144.2 Å²	144.2	87%	0.868	84%	0.838	S	S	*	*			trans	148.6	97.7	157.2	0	0	0	0	0	109.4
692	G	31.4	Very low	32.9	Very low	70 Å²	70	144.1 Å²	144.1	72%	0.722	84%	0.837	S	S	*	*	S	Bend	trans	171.4	86.4	171.8	0	0	0	0	0	112.8
693	L	32.6	Very low	33.4	Very low	184 Å²	184	148 Å²	148	96%	0.963	84%	0.835	S	S	*	*			trans	76.2	98.9	171	-51.1	169.8	0	0	0	114.7
694	G	32.3	Very low	33.8	Very low	72 Å²	72	149.6 Å²	149.6	74%	0.742	83%	0.831	S	S	*	*			cis	101.3	78.4	20	0	0	0	0	0	112
695	K	33.6	Very low	34.6	Very low	185 Å²	185	149.5 Å²	149.5	80%	0.804	84%	0.836	S	S	*	*			trans	40.6	113	150	-62	-178.3	177.1	-176.2	0	119.8
696	C	28.1	Very low	35.3	Very low	143 Å²	143	146.1 Å²	146.1	97%	0.966	83%	0.829	S	S	*	*			trans	-121.1	98.5	132.4	-66.1	0	0	0	0	107
697	F	33.5	Very low	35.9	Very low	183 Å²	183	141.3 Å²	141.3	80%	0.803	83%	0.83	S	S	*	*			trans	-118.4	142.8	174.7	-100.8	-81.9	0	0	0	108.4
698	A	36.3	Very low	37.1	Very low	77 Å²	77	145.7 Å²	145.7	64%	0.636	86%	0.855	S	S	*	*			trans	68.6	116.1	140.2	0	0	0	0	0	119.7
699	D	36.1	Very low	37.5	Very low	151 Å²	151	140.9 Å²	140.9	81%	0.807	85%	0.853	S	S	*	*				43.6	120.8	115.2	-50.6	-22.8	0	0	0	119.7
700	D	37.9	Very low	37.9	Very low	146 Å²	146	137 Å²	137	78%	0.781	85%	0.848	S	S	*	*			trans	57.1	122.5	147.8	-67.7	-18.1	0	0	0	122.7
701	D	39.3	Very low	38.3	Very low	160 Å²	160	133.8 Å²	133.8	86%	0.856	85%	0.845	S	S	*	*			trans	69.9	120.9	143.3	-61.1	-30.1	0	0	0	121.9
702	G	40.4	Very low	38.6	Very low	82 Å²	82	135.5 Å²	135.5	85%	0.845	84%	0.843	S	S	*	*			trans	141.6	112.3	149	0	0	0	0	0	116.5
703	Q	41.3	Very low	39	Very low	199 Å²	199	139.6 Å²	139.6	93%	0.93	85%	0.851	S	S	*	*			trans	-63.8	168	-176.9	-92.6	-167.2	-31.6	0	0	117.6
704	P	42.4	Very low	39.5	Very low	111 Å²	111	136.7 Å²	136.7	72%	0.721	84%	0.844	S	S	*	*			trans	-109.9	157.1	-164	40.2	-30.3	0	0	0	115.4
705	T	47.9	Very low	40	Very low	152 Å²	152	141.3 Å²	141.3	93%	0.933	85%	0.851	S	S	*	*			trans	-178	141.9	152.7	50.8	0	0	0	0	107.3
706	G	45.6	Very low	40.5	Very low	63 Å²	63	137.9 Å²	137.9	65%	0.649	85%	0.854	S	S	*	*			cis	175	136.6	-3.1	0	0	0	0	0	108.4
707	S	42.2	Very low	41.5	Very low	124 Å²	124	137.5 Å²	137.5	87%	0.867	85%	0.845	S	S	*	*			trans	56.3	152.1	136.9	-39.1	0	0	0	0	122.5
708	P	55	Low	42.2	Very low	202 Å²	202	133.4 Å²	133.4	100%	1.312	85%	0.849	S	S	*	*			cis	-101.5	0	6.5	30	-15.8	0	0	0	115.8

Retrieved 708 of 708 residues in 165.1 ms (Link to these results)

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