A0A077Z7J1_TRITR Loading...

Voltage gated calcium channel beta subunit

AlphaFold DB , UniProt , Accession A0A077Z7J1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 409 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	61.3	Low	76.3	Confident	144 Å²	144	89.6 Å²	89.6	71%	0.709	42%	0.418	S	S	*	.				0	-61.3	0	-74.6	-48.6	-153.6	0	0	115.5	C3 L4 R5	M1-C3 PolarHBondContact O-N 3.11Å; M1-C3 VanDerWaalsContact O-N 3.09Å; M1-L4 PolarHBondContact O-N 3.25Å; M1-R5 PolarHBondContact O-N 3.21Å
2	Q	64.5	Low	77.8	Confident	164 Å²	164	83.7 Å²	83.7	77%	0.766	39%	0.392	S	S	*	.	H	α-helix	trans	-53.3	-37.2	-174.9	-66.8	-177.2	7.4	0	0	113.9	L4 R5	Q2-L4 PolarHBondContact O-N 3.23Å; Q2-R5 PolarHBondContact O-N 3.32Å
3	C	71.7	Confident	79.2	Confident	43 Å²	43	80.2 Å²	80.2	29%	0.291	39%	0.386	S	S	.	.	H	α-helix	trans	-59.6	-22	175.3	60	0	0	0	0	115.3	M1 R7	M1-C3 PolarHBondContact O-N 3.11Å; M1-C3 VanDerWaalsContact O-N 3.09Å; C3-R7 WeakPolarHBondContact O-CD 3.39Å; C3-R7 WeakPolarHBondContact O-CG 3.31Å; C3-R7 PolarHBondContact O-NH1 3.31Å
4	L	77.2	Confident	80.4	Confident	10 Å²	10	77.1 Å²	77.1	5%	0.052	37%	0.37	C	S	.	.	H	α-helix	trans	-93.6	-34.9	176.8	-68.1	173.2	0	0	0	111.6	M1 Q2 W6 R7 L8 C35 I57 I67 F69	M1-L4 PolarHBondContact O-N 3.25Å; Q2-L4 PolarHBondContact O-N 3.23Å; L4-W6 VanDerWaalsContact C-N 3.32Å; L4-W6 PolarHBondContact O-N 3.03Å; L4-R7 WeakPolarHBondContact O-CB 3.26Å; L4-R7 PolarHBondContact O-N 3.43Å; L4-L8 PolarHBondContact O-N 2.93Å; L4-C35 HydrophobicContact CD1-CB 3.97Å; L4-I57 HydrophobicContact CD2-CD1 4.04Å; L4-I57 HydrophobicContact CD2-CG1 4.11Å; L4-I57 HydrophobicContact CD2-CG2 3.78Å; L4-I67 HydrophobicContact CB-CG2 4.21Å; L4-F69 HydrophobicContact CD1-CD2 4.41Å; L4-F69 HydrophobicContact CD1-CE2 3.96Å; L4-F69 HydrophobicContact CD2-CD2 4.34Å; L4-F69 HydrophobicContact CD2-CE2 3.94Å; L4-F69 HydrophobicContact CD2-CZ 4.15Å; L4-F69 HydrophobicContact CG-CE2 4.06Å; L4-F69 HydrophobicContact CG-CZ 4.41Å
5	R	75.4	Confident	81.6	Confident	161 Å²	161	72.2 Å²	72.2	61%	0.608	35%	0.347	S	S	*	.	H	α-helix	trans	-56.9	-39.9	-173.2	-169.4	177.7	-174.8	-179.3	1.8	113.7	M1 Q2 R7 Y9	M1-R5 PolarHBondContact O-N 3.21Å; Q2-R5 PolarHBondContact O-N 3.32Å; R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 3.05Å; R5-Y9 WeakPolarHBondContact O-CE2 3.32Å
6	W	73.2	Confident	82.6	Confident	131 Å²	131	67.7 Å²	67.7	50%	0.496	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.1	177.5	-64.6	116.9	0	0	0	113.6	L4 P358 I360	L4-W6 VanDerWaalsContact C-N 3.32Å; L4-W6 PolarHBondContact O-N 3.03Å; W6-P358 HydrophobicContact CH2-CB 3.86Å; W6-P358 HydrophobicContact CH2-CG 3.79Å; W6-P358 HydrophobicContact CZ3-CB 3.98Å; W6-P358 HydrophobicContact CZ3-CG 3.74Å; W6-I360 HydrophobicContact CH2-CD1 3.46Å; W6-I360 VanDerWaalsContact CH2-CD1 3.46Å; W6-I360 HydrophobicContact CZ2-CD1 4.35Å; W6-I360 HydrophobicContact CZ3-CD1 3.61Å
7	R	79.3	Confident	83.5	Confident	39 Å²	39	65.7 Å²	65.7	15%	0.147	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-84.5	-16.4	-173.3	-59.3	-177.3	160	137	-23.4	113.1	C3 L4 R5 Y9 K10 E49 I57 I67	C3-R7 WeakPolarHBondContact O-CD 3.39Å; C3-R7 WeakPolarHBondContact O-CG 3.31Å; C3-R7 PolarHBondContact O-NH1 3.31Å; L4-R7 WeakPolarHBondContact O-CB 3.26Å; L4-R7 PolarHBondContact O-N 3.43Å; R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 3.05Å; R7-Y9 PolarHBondContact O-N 2.88Å; R7-K10 PolarHBondContact O-N 3.46Å; R7-E49 WeakPolarHBondContact CD-OE1 3.41Å; R7-E49 VanDerWaalsContact CG-OE1 3.27Å; R7-E49 WeakPolarHBondContact CG-OE1 3.22Å; R7-E49 IonicContact CZ-OE1 2.72Å; R7-E49 IonicContact CZ-OE2 2.72Å; R7-E49 VanDerWaalsContact CZ-OE2 3.29Å; R7-E49 IonicContact NE-OE1 3.76Å; R7-E49 PolarHBondContact NE-OE1 3.29Å; R7-E49 IonicContact NE-OE2 3.1Å; R7-E49 PolarHBondContact NE-OE2 3.03Å; R7-E49 IonicContact NH2-OE2 2.72Å; R7-E49 PolarHBondContact NH2-OE2 2.93Å; R7-I57 HydrophobicContact CB-CG2 4.24Å; R7-I57 VanDerWaalsContact CD-CD1 3.44Å; R7-I57 VanDerWaalsContact CZ-CD1 3.41Å; R7-I67 HydrophobicContact CB-CD1 3.76Å
8	L	77.1	Confident	84.2	Confident	63 Å²	63	62.1 Å²	62.1	33%	0.33	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-50.7	-34.7	165.9	-69	170.9	0	0	0	112.6	L4 I67 V354	L4-L8 PolarHBondContact O-N 2.93Å; L8-I67 HydrophobicContact CD2-CB 4.01Å; L8-I67 HydrophobicContact CD2-CG2 3.47Å; L8-I67 VanDerWaalsContact CD2-CG2 3.47Å; L8-I67 HydrophobicContact CG-CG2 4Å; L8-V354 HydrophobicContact CB-CG1 4.33Å
9	Y	79.2	Confident	84.8	Confident	45 Å²	45	60.1 Å²	60.1	18%	0.176	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-91.2	-8.9	-175.1	-55.2	-72.8	0	0	0	115	R5 R7 V354 K355 S356 P357	R5-Y9 WeakPolarHBondContact O-CE2 3.32Å; R7-Y9 PolarHBondContact O-N 2.88Å; Y9-V354 HydrophobicContact CD1-CG1 3.72Å; Y9-V354 HydrophobicContact CE1-CG1 3.25Å; Y9-K355 PolarHBondContact OH-O 3.37Å; Y9-K355 VanDerWaalsContact OH-O 3.04Å; Y9-S356 PolarHBondContact OH-O 2.88Å; Y9-P357 HydrophobicContact CD1-CB 3.93Å; Y9-P357 HydrophobicContact CD1-CG 3.75Å; Y9-P357 VanDerWaalsContact CE1-CA 3.46Å; Y9-P357 HydrophobicContact CE1-CB 3.57Å; Y9-P357 HydrophobicContact CE1-CG 3.5Å; Y9-P357 WeakPolarHBondContact OH-CA 3.22Å
10	K	88.7	Confident	85.3	Confident	89 Å²	89	59.4 Å²	59.4	39%	0.387	29%	0.287	S	S	.	.	S	Bend	trans	-72.6	147.2	176.8	-75	-171.9	177.6	-178.6	0	109.9	R7 K48 E49	R7-K10 PolarHBondContact O-N 3.46Å; K10-K48 WeakPolarHBondContact O-CD 3.48Å; K10-K48 WeakPolarHBondContact O-CE 3.46Å; K10-K48 PolarHBondContact O-NZ 3.22Å; K10-E49 WeakPolarHBondContact CD-OE1 3.12Å; K10-E49 VanDerWaalsContact CE-OE1 3.3Å; K10-E49 WeakPolarHBondContact CE-OE1 3.16Å; K10-E49 IonicContact NZ-OE1 2.74Å; K10-E49 PolarHBondContact NZ-OE1 3.48Å; K10-E49 IonicContact NZ-OE2 3.14Å; K10-E49 PolarHBondContact NZ-OE2 3.2Å; K10-E49 VanDerWaalsContact NZ-OE2 3.14Å
11	P	91.7	Very high	85.7	Confident	97 Å²	97	59.9 Å²	59.9	63%	0.63	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-60.1	162.2	170.1	27.9	-34.9	0	0	0	110.7	A13 K48	P11-A13 PolarHBondContact O-N 3.47Å; P11-K48 WeakPolarHBondContact O-CD 3.17Å
12	V	94.9	Very high	87.3	Confident	18 Å²	18	54 Å²	54	11%	0.109	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-70.3	122.5	167.3	-176.4	0	0	0	0	107.4	F14 H46 T165 M254	V12-F14 WeakPolarHBondContact CG1-O 3.31Å; V12-H46 HydrophobicContact CG1-CB 3.87Å; V12-H46 HydrophobicContact CG2-CB 4.04Å; V12-T165 HydrophobicContact CB-CG2 4.27Å; V12-T165 HydrophobicContact CG1-CG2 3.6Å; V12-M254 HydrophobicContact CB-SD 4.3Å; V12-M254 HydrophobicContact CG2-CE 4.41Å; V12-M254 HydrophobicContact CG2-SD 3.91Å
13	A	95.3	Very high	88.6	Confident	38 Å²	38	50.3 Å²	50.3	31%	0.314	25%	0.252	S	S	.	.			trans	-75.2	-46.9	179.4	0	0	0	0	0	110.6	P11 I47 R252	P11-A13 PolarHBondContact O-N 3.47Å; A13-I47 PolarHBondContact N-O 3.25Å; A13-R252 PolarHBondContact O-NH1 3.07Å
14	F	96.8	Very high	89.5	Confident	38 Å²	38	48.5 Å²	48.5	17%	0.167	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	168	174.7	62.7	-86	0	0	0	110.2	V12 V16 I47 W56 I162 V371	V12-F14 WeakPolarHBondContact CG1-O 3.31Å; F14-V16 HydrophobicContact CD2-CG1 3.92Å; F14-V16 HydrophobicContact CE2-CG1 3.8Å; F14-I47 HydrophobicContact CD1-CB 4.31Å; F14-I47 HydrophobicContact CD2-CB 4.25Å; F14-I47 HydrophobicContact CD2-CG1 4.18Å; F14-I47 HydrophobicContact CE1-CB 3.97Å; F14-I47 HydrophobicContact CE1-CG2 3.76Å; F14-I47 HydrophobicContact CE2-CB 3.9Å; F14-I47 HydrophobicContact CE2-CG1 3.65Å; F14-I47 HydrophobicContact CE2-CG2 4.28Å; F14-I47 HydrophobicContact CG-CB 4.45Å; F14-I47 HydrophobicContact CZ-CB 3.75Å; F14-I47 HydrophobicContact CZ-CG1 3.88Å; F14-I47 HydrophobicContact CZ-CG2 3.63Å; F14-I47 PolarHBondContact O-N 3.38Å; F14-W56 HydrophobicContact CE2-CE3 4.42Å; F14-W56 HydrophobicContact CE2-CH2 4.12Å; F14-W56 AromaticContact CE2-CZ3 3.89Å; F14-W56 HydrophobicContact CE2-CZ3 3.89Å; F14-W56 HydrophobicContact CZ-CD2 4.47Å; F14-W56 HydrophobicContact CZ-CE3 4.17Å; F14-W56 HydrophobicContact CZ-CH2 4.06Å; F14-W56 HydrophobicContact CZ-CZ2 4.39Å; F14-W56 AromaticContact CZ-CZ3 3.96Å; F14-W56 HydrophobicContact CZ-CZ3 3.96Å; F14-I162 HydrophobicContact CD2-CD1 4.35Å; F14-V371 HydrophobicContact CB-CG1 4Å
15	A	98	Very high	89.9	Confident	3 Å²	3	53.8 Å²	53.8	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155.3	173	0	0	0	0	0	111.7	L45 V163 T165	A15-L45 VanDerWaalsContact CA-O 3.27Å; A15-L45 WeakPolarHBondContact CA-O 3.45Å; A15-V163 HydrophobicContact CB-CG2 4.03Å; A15-V163 PolarHBondContact O-N 3.28Å; A15-V163 VanDerWaalsContact O-N 3.17Å; A15-T165 HydrophobicContact CB-CG2 3.95Å
16	V	97.9	Very high	90.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148.2	174.9	-63.3	0	0	0	0	111.8	F14 F44 L45 I47 Y160 E161 I162	F14-V16 HydrophobicContact CD2-CG1 3.92Å; F14-V16 HydrophobicContact CE2-CG1 3.8Å; V16-F44 WeakPolarHBondContact O-CA 3.37Å; V16-L45 HydrophobicContact CG2-CB 3.82Å; V16-L45 HydrophobicContact CG2-CD1 4.17Å; V16-L45 HydrophobicContact CG2-CG 4.29Å; V16-L45 PolarHBondContact N-O 3.48Å; V16-L45 PolarHBondContact O-N 2.75Å; V16-I47 HydrophobicContact CG2-CG1 4.5Å; V16-Y160 HydrophobicContact CB-CG 4.36Å; V16-Y160 HydrophobicContact CG2-CD1 4.11Å; V16-Y160 HydrophobicContact CG2-CG 4.08Å; V16-E161 CarbonylContact C-O 3.53Å; V16-E161 WeakPolarHBondContact CA-O 3.35Å; V16-I162 HydrophobicContact CG1-CG1 4.11Å
17	R	97.5	Very high	90.7	Very high	34 Å²	34	44.8 Å²	44.8	13%	0.128	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.6	163.1	-179.5	174.9	68.2	-176.8	-5.5	109.6	K42 D43 F44 Y160 E161 V163	R17-K42 HydrophobicContact CG-CD 4.25Å; R17-D43 CarbonylContact C-O 3.59Å; R17-D43 WeakPolarHBondContact CA-O 3.47Å; R17-F44 HydrophobicContact CB-CD1 4.26Å; R17-F44 HydrophobicContact CB-CE1 4.04Å; R17-F44 HydrophobicContact CG-CE1 4.25Å; R17-F44 HydrophobicContact CG-CZ 4.3Å; R17-Y160 WeakPolarHBondContact O-CA 3.41Å; R17-E161 IonicContact CZ-OE2 2.72Å; R17-E161 PolarHBondContact N-O 2.92Å; R17-E161 IonicContact NE-OE2 3.69Å; R17-E161 PolarHBondContact NE-OE2 2.88Å; R17-E161 IonicContact NH2-OE1 2.73Å; R17-E161 PolarHBondContact NH2-OE1 2.87Å; R17-E161 VanDerWaalsContact NH2-OE1 3.1Å; R17-E161 IonicContact NH2-OE2 3.41Å; R17-E161 PolarHBondContact NH2-OE2 3.35Å; R17-E161 PolarHBondContact O-N 3.18Å; R17-V163 HydrophobicContact CB-CG1 3.75Å
18	T	97	Very high	90.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	141.6	-179.2	68.8	0	0	0	0	111.8	F39 G40 K42 D43 L45 Y160	T18-F39 HydrophobicContact CG2-CB 4.45Å; T18-F39 HydrophobicContact CG2-CD2 3.47Å; T18-F39 VanDerWaalsContact CG2-CD2 3.47Å; T18-F39 HydrophobicContact CG2-CE2 3.75Å; T18-F39 HydrophobicContact CG2-CG 3.97Å; T18-F39 HydrophobicContact CG2-CZ 4.46Å; T18-G40 PolarHBondContact OG1-O 3.17Å; T18-K42 WeakPolarHBondContact O-CA 3.49Å; T18-K42 PolarHBondContact O-N 3.24Å; T18-K42 PolarHBondContact OG1-N 3.42Å; T18-D43 HydrophobicContact CG2-CB 4.18Å; T18-D43 PolarHBondContact N-O 2.97Å; T18-D43 PolarHBondContact OG1-N 3.38Å; T18-D43 PolarHBondContact OG1-O 3.2Å; T18-L45 HydrophobicContact CG2-CD1 3.99Å; T18-L45 HydrophobicContact CG2-CG 4.09Å; T18-Y160 HydrophobicContact CG2-CD1 4.27Å; T18-Y160 HydrophobicContact CG2-CE1 4.16Å
19	N	94.6	Very high	91.5	Very high	25 Å²	25	51.8 Å²	51.8	13%	0.134	30%	0.295	C	S	.	.	S	Bend	trans	-114.7	-2.4	171.2	-66.9	-47.9	0	0	0	112.7	L41 K42 V157 Q158 P159	N19-L41 VanDerWaalsContact O-CD2 3.26Å; N19-L41 WeakPolarHBondContact O-CD2 3.3Å; N19-K42 PolarHBondContact OD1-NZ 3.27Å; N19-V157 HydrophobicContact CB-CG1 3.7Å; N19-Q158 WeakPolarHBondContact CB-O 3.47Å; N19-Q158 PolarHBondContact ND2-O 2.98Å; N19-P159 PolarHBondContact N-O 3.22Å
20	V	94.3	Very high	91.9	Very high	46 Å²	46	49.9 Å²	49.9	28%	0.279	29%	0.288	S	S	.	.	S	Bend	trans	-130.4	155.7	171.2	-62	0	0	0	0	108.6	F39 L76 P159	V20-F39 WeakPolarHBondContact O-CE2 3.42Å; V20-L76 HydrophobicContact CG2-CD1 3.95Å; V20-P159 HydrophobicContact CG1-CB 4.34Å; V20-P159 HydrophobicContact CG2-CB 3.65Å
21	S	94.4	Very high	92.1	Very high	69 Å²	69	48 Å²	48	48%	0.483	29%	0.285	S	S	.	.			trans	-91.3	150.4	166.2	54.9	0	0	0	0	110.3	F39	S21-F39 CarbonylContact C-O 3.59Å; S21-F39 WeakPolarHBondContact CA-O 3.08Å
22	Y	94.7	Very high	92	Very high	22 Å²	22	44.9 Å²	44.9	9%	0.086	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-143.3	136	176	166	-100.3	0	0	0	109.5	D27 A36 V37 S38 F39 W55 P71 L76 F79	Y22-D27 HydrophobicContact CE2-CB 4.44Å; Y22-D27 VanDerWaalsContact OH-CB 3.28Å; Y22-D27 WeakPolarHBondContact OH-CB 3.48Å; Y22-D27 VanDerWaalsContact OH-CG 3.29Å; Y22-D27 PolarHBondContact OH-OD2 3.34Å; Y22-A36 HydrophobicContact CE1-CB 4.46Å; Y22-V37 WeakPolarHBondContact CD1-O 3.44Å; Y22-S38 CarbonylContact O-C 3.52Å; Y22-S38 VanDerWaalsContact O-CA 3.32Å; Y22-S38 WeakPolarHBondContact O-CA 3.21Å; Y22-F39 VanDerWaalsContact CB-CZ 3.46Å; Y22-F39 HydrophobicContact CD1-CD1 4.24Å; Y22-F39 AromaticContact CD1-CE1 3.79Å; Y22-F39 HydrophobicContact CD1-CE1 3.79Å; Y22-F39 HydrophobicContact CD1-CZ 4.19Å; Y22-F39 HydrophobicContact CG-CE1 4.21Å; Y22-F39 HydrophobicContact CG-CZ 4.14Å; Y22-F39 PolarHBondContact N-O 3.25Å; Y22-F39 PolarHBondContact O-N 3.3Å; Y22-W55 VanDerWaalsContact OH-CH2 3.24Å; Y22-W55 WeakPolarHBondContact OH-CH2 3.49Å; Y22-P71 HydrophobicContact CD1-CG 3.71Å; Y22-P71 HydrophobicContact CD2-CG 4Å; Y22-P71 HydrophobicContact CE1-CG 3.69Å; Y22-P71 HydrophobicContact CE2-CB 4.39Å; Y22-P71 HydrophobicContact CE2-CG 3.99Å; Y22-P71 HydrophobicContact CG-CG 3.85Å; Y22-L76 HydrophobicContact CD2-CD2 3.9Å; Y22-L76 HydrophobicContact CG-CD2 4.21Å; Y22-F79 HydrophobicContact CE2-CE2 4.13Å
23	D	93	Very high	91.5	Very high	85 Å²	85	50.8 Å²	50.8	46%	0.455	29%	0.29	S	S	.	.			trans	-110.3	113.4	171.2	-169.2	9.7	0	0	0	110	V25 S26 S38	D23-V25 VanDerWaalsContact C-N 3.34Å; D23-V25 WeakPolarHBondContact OD1-CB 3.33Å; D23-V25 WeakPolarHBondContact OD1-CG2 3.42Å; D23-V25 PolarHBondContact OD1-N 3.06Å; D23-V25 VanDerWaalsContact OD1-N 3.09Å; D23-S26 PolarHBondContact O-OG 2.93Å; D23-S38 PolarHBondContact OD1-OG 3.4Å
24	G	89.6	Confident	91.1	Very high	5 Å²	5	52.7 Å²	52.7	5%	0.052	31%	0.314	C	S	.	.	S	Bend	trans	-82.4	-8.6	176.8	0	0	0	0	0	114.1	S26 D27 S38	G24-S26 VanDerWaalsContact C-N 3.28Å; G24-S26 PolarHBondContact O-N 3.37Å; G24-D27 PolarHBondContact O-N 3.29Å; G24-S38 PolarHBondContact N-OG 3.41Å
25	V	86	Confident	90.9	Very high	121 Å²	121	51.9 Å²	51.9	73%	0.733	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.9	177.8	-179.8	0	0	0	0	111.2	D23	D23-V25 VanDerWaalsContact C-N 3.34Å; D23-V25 WeakPolarHBondContact OD1-CB 3.33Å; D23-V25 WeakPolarHBondContact OD1-CG2 3.42Å; D23-V25 PolarHBondContact OD1-N 3.06Å; D23-V25 VanDerWaalsContact OD1-N 3.09Å
26	S	81.6	Confident	90.7	Very high	93 Å²	93	52.5 Å²	52.5	65%	0.65	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	13.7	177	59.4	0	0	0	0	114.3	D23 G24	D23-S26 PolarHBondContact O-OG 2.93Å; G24-S26 VanDerWaalsContact C-N 3.28Å; G24-S26 PolarHBondContact O-N 3.37Å
27	D	84.2	Confident	90.6	Very high	11 Å²	11	53.4 Å²	53.4	6%	0.059	32%	0.323	C	S	.	.			trans	-109.2	85.8	-176.9	-167.2	-7.3	0	0	0	111.6	Y22 G24 D29 C30 W55 R75 F79	Y22-D27 HydrophobicContact CE2-CB 4.44Å; Y22-D27 VanDerWaalsContact OH-CB 3.28Å; Y22-D27 WeakPolarHBondContact OH-CB 3.48Å; Y22-D27 VanDerWaalsContact OH-CG 3.29Å; Y22-D27 PolarHBondContact OH-OD2 3.34Å; G24-D27 PolarHBondContact O-N 3.29Å; D27-D29 PolarHBondContact O-N 3.35Å; D27-D29 WeakPolarHBondContact OD1-CB 3.44Å; D27-D29 PolarHBondContact OD1-N 3.39Å; D27-C30 WeakPolarHBondContact O-CB 3.33Å; D27-C30 PolarHBondContact O-N 3.41Å; D27-W55 WeakPolarHBondContact OD2-CH2 3.17Å; D27-R75 IonicContact OD1-CZ 2.71Å; D27-R75 IonicContact OD1-NH2 2.98Å; D27-R75 PolarHBondContact OD1-NH2 3.24Å; D27-R75 IonicContact OD2-CZ 2.8Å; D27-R75 IonicContact OD2-NE 3.4Å; D27-R75 PolarHBondContact OD2-NE 2.95Å; D27-R75 IonicContact OD2-NH2 3.43Å; D27-R75 PolarHBondContact OD2-NH2 3.13Å; D27-F79 WeakPolarHBondContact OD2-CE2 3.4Å; D27-F79 WeakPolarHBondContact OD2-CZ 3.39Å
28	D	83.7	Confident	90.6	Very high	125 Å²	125	53.8 Å²	53.8	67%	0.668	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.1	179.5	-65.9	-47.5	0	0	0	113.4	C30	D28-C30 PolarHBondContact O-N 3.14Å; D28-C30 VanDerWaalsContact O-N 3.11Å
29	D	88.6	Confident	90.6	Very high	123 Å²	123	54.3 Å²	54.3	66%	0.658	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	12.5	178.2	-89.9	-12.1	0	0	0	113	D27 W55 R75	D27-D29 PolarHBondContact O-N 3.35Å; D27-D29 WeakPolarHBondContact OD1-CB 3.44Å; D27-D29 PolarHBondContact OD1-N 3.39Å; D29-W55 PolarHBondContact O-NE1 3.27Å; D29-R75 IonicContact OD2-NH2 3.62Å
30	C	88.7	Confident	90.7	Very high	6 Å²	6	54.4 Å²	54.4	4%	0.041	34%	0.341	C	S	.	.	S	Bend	trans	-70.3	134.2	174.3	-174.1	0	0	0	0	111.4	D27 D28 V32 A36 W55	D27-C30 WeakPolarHBondContact O-CB 3.33Å; D27-C30 PolarHBondContact O-N 3.41Å; D28-C30 PolarHBondContact O-N 3.14Å; D28-C30 VanDerWaalsContact O-N 3.11Å; C30-V32 CarbonylContact O-C 3.59Å; C30-V32 PolarHBondContact O-N 3.07Å; C30-V32 PolarHBondContact SG-O 3.46Å; C30-A36 HydrophobicContact CB-CB 4.18Å; C30-W55 VanDerWaalsContact CA-CZ2 3.44Å; C30-W55 HydrophobicContact CB-CH2 4.06Å; C30-W55 HydrophobicContact CB-CZ2 4Å
31	P	91.2	Very high	90.7	Very high	49 Å²	49	57.1 Å²	57.1	32%	0.318	35%	0.353	S	S	.	.	S	Bend	trans	-62	-15.6	-177	-21.5	33.9	0	0	0	114.1	Y51 W55 F69	P31-Y51 HydrophobicContact CB-CD1 4.41Å; P31-Y51 HydrophobicContact CB-CE1 3.59Å; P31-Y51 HydrophobicContact CG-CD1 3.96Å; P31-Y51 HydrophobicContact CG-CE1 3.53Å; P31-W55 HydrophobicContact CG-CB 4.39Å; P31-W55 HydrophobicContact CG-CD2 4.39Å; P31-W55 HydrophobicContact CG-CG 3.89Å; P31-F69 HydrophobicContact CB-CD1 4.29Å; P31-F69 HydrophobicContact CB-CE1 3.8Å; P31-F69 HydrophobicContact CB-CE2 4.41Å; P31-F69 HydrophobicContact CB-CZ 3.87Å; P31-F69 HydrophobicContact CG-CD1 3.82Å; P31-F69 HydrophobicContact CG-CE1 3.78Å; P31-F69 HydrophobicContact CG-CG 4.35Å; P31-F69 HydrophobicContact CG-CZ 4.31Å
32	V	89.9	Confident	90.8	Very high	32 Å²	32	58.6 Å²	58.6	19%	0.194	35%	0.351	C	S	.	.	S	Bend	trans	-137.1	113.7	161.6	-175.9	0	0	0	0	107.2	C30 G34 C35 F69	C30-V32 CarbonylContact O-C 3.59Å; C30-V32 PolarHBondContact O-N 3.07Å; C30-V32 PolarHBondContact SG-O 3.46Å; V32-G34 PolarHBondContact O-N 2.97Å; V32-C35 HydrophobicContact CB-CB 4.04Å; V32-C35 HydrophobicContact CG1-CB 4.27Å; V32-C35 VanDerWaalsContact CG1-SG 3.58Å; V32-C35 WeakPolarHBondContact O-CB 3.19Å; V32-C35 PolarHBondContact O-N 2.96Å; V32-F69 HydrophobicContact CB-CE2 3.82Å; V32-F69 HydrophobicContact CG2-CE2 3.65Å; V32-F69 HydrophobicContact CG2-CZ 4.01Å
33	H	85.6	Confident	90.9	Very high	142 Å²	142	60 Å²	60	66%	0.657	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	136.6	175.6	-62.6	89	0	0	0	112	C35	H33-C35 PolarHBondContact O-N 3.37Å
34	G	86.6	Confident	91.2	Very high	78 Å²	78	57.8 Å²	57.8	80%	0.804	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	4.3	-178.8	0	0	0	0	0	116	V32	V32-G34 PolarHBondContact O-N 2.97Å
35	C	92.2	Very high	91.6	Very high	20 Å²	20	57.6 Å²	57.6	14%	0.135	34%	0.344	C	S	.	.			trans	-107.2	14	177.6	-61.7	0	0	0	0	114.2	L4 V32 H33 G68 F69	L4-C35 HydrophobicContact CD1-CB 3.97Å; V32-C35 HydrophobicContact CB-CB 4.04Å; V32-C35 HydrophobicContact CG1-CB 4.27Å; V32-C35 VanDerWaalsContact CG1-SG 3.58Å; V32-C35 WeakPolarHBondContact O-CB 3.19Å; V32-C35 PolarHBondContact O-N 2.96Å; H33-C35 PolarHBondContact O-N 3.37Å; C35-G68 CarbonylContact O-C 3.5Å; C35-G68 VanDerWaalsContact O-CA 3.26Å; C35-G68 WeakPolarHBondContact O-CA 3.3Å; C35-F69 HydrophobicContact CB-CD2 4Å; C35-F69 HydrophobicContact CB-CE2 4.31Å; C35-F69 PolarHBondContact O-N 3.38Å
36	A	94.6	Very high	92.2	Very high	17 Å²	17	52 Å²	52	14%	0.14	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-77.5	140.1	172.1	0	0	0	0	0	110.8	Y22 C30 W55 F69	Y22-A36 HydrophobicContact CE1-CB 4.46Å; C30-A36 HydrophobicContact CB-CB 4.18Å; A36-W55 HydrophobicContact CB-CH2 4.11Å; A36-W55 HydrophobicContact CB-CZ3 4.3Å; A36-F69 CarbonylContact C-O 3.58Å; A36-F69 WeakPolarHBondContact CA-O 3.33Å
37	V	95.7	Very high	92.9	Very high	18 Å²	18	47.6 Å²	47.6	11%	0.109	28%	0.279	C	S	.	.			trans	-90.2	105.7	-178.4	-178.6	0	0	0	0	109.6	Y22 F39 L60 F69 V70	Y22-V37 WeakPolarHBondContact CD1-O 3.44Å; V37-F39 VanDerWaalsContact O-CD1 3.32Å; V37-F39 WeakPolarHBondContact O-CD1 3.5Å; V37-L60 HydrophobicContact CG1-CB 4.27Å; V37-F69 PolarHBondContact N-O 3.1Å; V37-V70 HydrophobicContact CB-CG2 4.09Å; V37-V70 HydrophobicContact CG2-CG2 4.1Å
38	S	96.2	Very high	93.4	Very high	43 Å²	43	48.7 Å²	48.7	30%	0.301	28%	0.283	S	S	.	.			trans	-70.3	143	168.8	-51.8	0	0	0	0	111.3	Y22 D23 G24	Y22-S38 CarbonylContact O-C 3.52Å; Y22-S38 VanDerWaalsContact O-CA 3.32Å; Y22-S38 WeakPolarHBondContact O-CA 3.21Å; D23-S38 PolarHBondContact OD1-OG 3.4Å; G24-S38 PolarHBondContact N-OG 3.41Å
39	F	97.2	Very high	93.9	Very high	10 Å²	10	44.4 Å²	44.4	4%	0.044	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-151.1	149.6	178.7	54.2	-103.1	0	0	0	112.9	T18 V20 S21 Y22 V37 D43 L45 L60 V70 P71 L76 Y160	T18-F39 HydrophobicContact CG2-CB 4.45Å; T18-F39 HydrophobicContact CG2-CD2 3.47Å; T18-F39 VanDerWaalsContact CG2-CD2 3.47Å; T18-F39 HydrophobicContact CG2-CE2 3.75Å; T18-F39 HydrophobicContact CG2-CG 3.97Å; T18-F39 HydrophobicContact CG2-CZ 4.46Å; V20-F39 WeakPolarHBondContact O-CE2 3.42Å; S21-F39 CarbonylContact C-O 3.59Å; S21-F39 WeakPolarHBondContact CA-O 3.08Å; Y22-F39 VanDerWaalsContact CB-CZ 3.46Å; Y22-F39 HydrophobicContact CD1-CD1 4.24Å; Y22-F39 AromaticContact CD1-CE1 3.79Å; Y22-F39 HydrophobicContact CD1-CE1 3.79Å; Y22-F39 HydrophobicContact CD1-CZ 4.19Å; Y22-F39 HydrophobicContact CG-CE1 4.21Å; Y22-F39 HydrophobicContact CG-CZ 4.14Å; Y22-F39 PolarHBondContact N-O 3.25Å; Y22-F39 PolarHBondContact O-N 3.3Å; V37-F39 VanDerWaalsContact O-CD1 3.32Å; V37-F39 WeakPolarHBondContact O-CD1 3.5Å; F39-D43 WeakPolarHBondContact CA-OD2 3.46Å; F39-D43 HydrophobicContact CB-CB 4.11Å; F39-D43 WeakPolarHBondContact CB-OD2 3.45Å; F39-L45 HydrophobicContact CB-CD2 4.24Å; F39-L45 HydrophobicContact CD1-CD1 3.86Å; F39-L45 HydrophobicContact CD1-CD2 4.22Å; F39-L45 HydrophobicContact CE1-CD1 3.92Å; F39-L45 HydrophobicContact CG-CD1 4.4Å; F39-L45 HydrophobicContact CG-CD2 4.44Å; F39-L60 HydrophobicContact CB-CD1 4.47Å; F39-V70 HydrophobicContact CE1-CG1 4.46Å; F39-P71 HydrophobicContact CE1-CG 4.13Å; F39-P71 HydrophobicContact CZ-CG 4.23Å; F39-L76 HydrophobicContact CZ-CD1 4.31Å; F39-Y160 HydrophobicContact CE1-CE1 4.36Å; F39-Y160 HydrophobicContact CE2-CE1 4.1Å; F39-Y160 AromaticContact CZ-CE1 3.68Å; F39-Y160 HydrophobicContact CZ-CE1 3.68Å; F39-Y160 AromaticContact CZ-CZ 3.95Å; F39-Y160 VanDerWaalsContact CZ-OH 3.29Å; F39-Y160 WeakPolarHBondContact CZ-OH 3.27Å
40	G	96.9	Very high	94.1	Very high	28 Å²	28	43.3 Å²	43.3	29%	0.289	25%	0.248	S	C	.	.			trans	-85.3	-171.5	173.9	0	0	0	0	0	113.8	T18 D43	T18-G40 PolarHBondContact OG1-O 3.17Å; G40-D43 PolarHBondContact N-OD2 2.91Å
41	L	95	Very high	94.3	Very high	102 Å²	102	47.8 Å²	47.8	53%	0.534	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	138.4	170	-69.4	170.7	0	0	0	110.1	N19 D43	N19-L41 VanDerWaalsContact O-CD2 3.26Å; N19-L41 WeakPolarHBondContact O-CD2 3.3Å; L41-D43 PolarHBondContact O-N 2.98Å
42	K	95.3	Very high	94.4	Very high	101 Å²	101	47.5 Å²	47.5	44%	0.439	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	10.4	179.4	-52.1	-60.5	175.8	-173.5	0	115.7	R17 T18 N19 F44	R17-K42 HydrophobicContact CG-CD 4.25Å; T18-K42 WeakPolarHBondContact O-CA 3.49Å; T18-K42 PolarHBondContact O-N 3.24Å; T18-K42 PolarHBondContact OG1-N 3.42Å; N19-K42 PolarHBondContact OD1-NZ 3.27Å; K42-F44 WeakPolarHBondContact O-CD2 3.37Å; K42-F44 WeakPolarHBondContact O-CE2 3.49Å
43	D	97.7	Very high	94.6	Very high	50 Å²	50	50.5 Å²	50.5	27%	0.267	28%	0.279	S	S	.	.			trans	-61.4	155.6	166.6	-87	-3.9	0	0	0	111.2	R17 T18 F39 G40 L41 L60	R17-D43 CarbonylContact C-O 3.59Å; R17-D43 WeakPolarHBondContact CA-O 3.47Å; T18-D43 HydrophobicContact CG2-CB 4.18Å; T18-D43 PolarHBondContact N-O 2.97Å; T18-D43 PolarHBondContact OG1-N 3.38Å; T18-D43 PolarHBondContact OG1-O 3.2Å; F39-D43 WeakPolarHBondContact CA-OD2 3.46Å; F39-D43 HydrophobicContact CB-CB 4.11Å; F39-D43 WeakPolarHBondContact CB-OD2 3.45Å; G40-D43 PolarHBondContact N-OD2 2.91Å; L41-D43 PolarHBondContact O-N 2.98Å; D43-L60 HydrophobicContact CB-CD1 3.71Å; D43-L60 WeakPolarHBondContact OD2-CD1 3.47Å
44	F	98.4	Very high	95	Very high	39 Å²	39	46.6 Å²	46.6	17%	0.171	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.9	179.1	-68.8	-92.7	0	0	0	110.2	V16 R17 K42 V61 V163 R167 A276	V16-F44 WeakPolarHBondContact O-CA 3.37Å; R17-F44 HydrophobicContact CB-CD1 4.26Å; R17-F44 HydrophobicContact CB-CE1 4.04Å; R17-F44 HydrophobicContact CG-CE1 4.25Å; R17-F44 HydrophobicContact CG-CZ 4.3Å; K42-F44 WeakPolarHBondContact O-CD2 3.37Å; K42-F44 WeakPolarHBondContact O-CE2 3.49Å; F44-V61 HydrophobicContact CB-CB 4.01Å; F44-V61 HydrophobicContact CB-CG2 4.07Å; F44-V61 WeakPolarHBondContact O-CB 3.2Å; F44-V61 WeakPolarHBondContact O-CG2 3.28Å; F44-V61 PolarHBondContact O-N 2.72Å; F44-V163 HydrophobicContact CD1-CG2 4.02Å; F44-V163 HydrophobicContact CE1-CG2 4.2Å; F44-R167 HydrophobicContact CD1-CG 4.24Å; F44-R167 HydrophobicContact CE1-CG 3.91Å; F44-R167 HydrophobicContact CZ-CG 4.3Å; F44-R167 VanDerWaalsContact CZ-NE 3.34Å; F44-A276 HydrophobicContact CE1-CB 3.68Å; F44-A276 HydrophobicContact CZ-CB 3.95Å
45	L	98.4	Very high	95.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.5	178.9	-50.1	177.8	0	0	0	110.5	A15 V16 T18 F39 I47 R59 L60 V70 Y160	A15-L45 VanDerWaalsContact CA-O 3.27Å; A15-L45 WeakPolarHBondContact CA-O 3.45Å; V16-L45 HydrophobicContact CG2-CB 3.82Å; V16-L45 HydrophobicContact CG2-CD1 4.17Å; V16-L45 HydrophobicContact CG2-CG 4.29Å; V16-L45 PolarHBondContact N-O 3.48Å; V16-L45 PolarHBondContact O-N 2.75Å; T18-L45 HydrophobicContact CG2-CD1 3.99Å; T18-L45 HydrophobicContact CG2-CG 4.09Å; F39-L45 HydrophobicContact CB-CD2 4.24Å; F39-L45 HydrophobicContact CD1-CD1 3.86Å; F39-L45 HydrophobicContact CD1-CD2 4.22Å; F39-L45 HydrophobicContact CE1-CD1 3.92Å; F39-L45 HydrophobicContact CG-CD1 4.4Å; F39-L45 HydrophobicContact CG-CD2 4.44Å; L45-I47 HydrophobicContact CB-CD1 4.16Å; L45-R59 CarbonylContact C-O 3.55Å; L45-R59 WeakPolarHBondContact CA-O 3.15Å; L45-L60 HydrophobicContact CD2-CB 4.29Å; L45-L60 HydrophobicContact CD2-CD1 3.83Å; L45-V70 HydrophobicContact CD1-CG1 3.71Å; L45-V70 HydrophobicContact CD1-CG2 4.46Å; L45-Y160 HydrophobicContact CD1-CE1 4.1Å
46	H	97.9	Very high	95.6	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.7	167.7	-78.9	175	0	0	0	109.6	V12 G58 R59 V61 T165	V12-H46 HydrophobicContact CG1-CB 3.87Å; V12-H46 HydrophobicContact CG2-CB 4.04Å; H46-G58 CarbonylContact O-C 3.44Å; H46-G58 WeakPolarHBondContact O-CA 3.36Å; H46-R59 HydrophobicContact CB-CG 4.14Å; H46-R59 PolarHBondContact N-O 3.05Å; H46-R59 PolarHBondContact O-N 3.47Å; H46-V61 HydrophobicContact CB-CG2 4.32Å; H46-V61 VanDerWaalsContact CD2-CG2 3.44Å; H46-V61 WeakPolarHBondContact CD2-CG2 3.48Å; H46-T165 PolarHBondContact NE2-O 2.88Å
47	I	97.2	Very high	95.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.4	179.4	-51.4	-54.6	0	0	0	109.6	A13 F14 V16 L45 W56 V70	A13-I47 PolarHBondContact N-O 3.25Å; F14-I47 HydrophobicContact CD1-CB 4.31Å; F14-I47 HydrophobicContact CD2-CB 4.25Å; F14-I47 HydrophobicContact CD2-CG1 4.18Å; F14-I47 HydrophobicContact CE1-CB 3.97Å; F14-I47 HydrophobicContact CE1-CG2 3.76Å; F14-I47 HydrophobicContact CE2-CB 3.9Å; F14-I47 HydrophobicContact CE2-CG1 3.65Å; F14-I47 HydrophobicContact CE2-CG2 4.28Å; F14-I47 HydrophobicContact CG-CB 4.45Å; F14-I47 HydrophobicContact CZ-CB 3.75Å; F14-I47 HydrophobicContact CZ-CG1 3.88Å; F14-I47 HydrophobicContact CZ-CG2 3.63Å; F14-I47 PolarHBondContact O-N 3.38Å; V16-I47 HydrophobicContact CG2-CG1 4.5Å; L45-I47 HydrophobicContact CB-CD1 4.16Å; I47-W56 HydrophobicContact CD1-CE3 3.87Å; I47-W56 HydrophobicContact CG1-CE3 3.92Å; I47-W56 HydrophobicContact CG1-CZ3 4.3Å; I47-W56 HydrophobicContact CG2-CB 4.07Å; I47-W56 HydrophobicContact CG2-CD2 4.45Å; I47-W56 HydrophobicContact CG2-CE3 4.29Å; I47-W56 HydrophobicContact CG2-CG 4.42Å; I47-V70 HydrophobicContact CD1-CB 4.29Å; I47-V70 HydrophobicContact CD1-CG1 4.1Å; I47-V70 HydrophobicContact CD1-CG2 4.19Å
48	K	94.5	Very high	95.7	Very high	34 Å²	34	40.7 Å²	40.7	15%	0.148	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-42.4	178.1	-62.1	-61.6	-170.6	173.1	0	111.7	K10 P11 I57 I67	K10-K48 WeakPolarHBondContact O-CD 3.48Å; K10-K48 WeakPolarHBondContact O-CE 3.46Å; K10-K48 PolarHBondContact O-NZ 3.22Å; P11-K48 WeakPolarHBondContact O-CD 3.17Å; K48-I57 PolarHBondContact N-O 3.17Å; K48-I67 HydrophobicContact CG-CD1 3.89Å
49	E	93.8	Very high	95.7	Very high	36 Å²	36	39 Å²	39	17%	0.168	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	164.5	176	67.1	-164.3	91	0	0	112.9	R7 K10 I57	R7-E49 WeakPolarHBondContact CD-OE1 3.41Å; R7-E49 VanDerWaalsContact CG-OE1 3.27Å; R7-E49 WeakPolarHBondContact CG-OE1 3.22Å; R7-E49 IonicContact CZ-OE1 2.72Å; R7-E49 IonicContact CZ-OE2 2.72Å; R7-E49 VanDerWaalsContact CZ-OE2 3.29Å; R7-E49 IonicContact NE-OE1 3.76Å; R7-E49 PolarHBondContact NE-OE1 3.29Å; R7-E49 IonicContact NE-OE2 3.1Å; R7-E49 PolarHBondContact NE-OE2 3.03Å; R7-E49 IonicContact NH2-OE2 2.72Å; R7-E49 PolarHBondContact NH2-OE2 2.93Å; K10-E49 WeakPolarHBondContact CD-OE1 3.12Å; K10-E49 VanDerWaalsContact CE-OE1 3.3Å; K10-E49 WeakPolarHBondContact CE-OE1 3.16Å; K10-E49 IonicContact NZ-OE1 2.74Å; K10-E49 PolarHBondContact NZ-OE1 3.48Å; K10-E49 IonicContact NZ-OE2 3.14Å; K10-E49 PolarHBondContact NZ-OE2 3.2Å; K10-E49 VanDerWaalsContact NZ-OE2 3.14Å; E49-I57 HydrophobicContact CG-CB 4.4Å; E49-I57 PolarHBondContact N-O 3.15Å; E49-I57 PolarHBondContact O-N 3.29Å
50	K	93.6	Very high	95.8	Very high	99 Å²	99	39 Å²	39	43%	0.43	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.1	163.5	-177.4	-177.8	176.8	-170.6	0	108.7	S52 N53	K50-S52 WeakPolarHBondContact CE-O 3.29Å; K50-S52 WeakPolarHBondContact CG-O 3.5Å; K50-N53 VanDerWaalsContact CE-OD1 3.28Å; K50-N53 WeakPolarHBondContact CE-OD1 3.44Å; K50-N53 PolarHBondContact NZ-OD1 2.7Å
51	Y	92.7	Very high	95.8	Very high	101 Å²	101	38.9 Å²	38.9	40%	0.396	19%	0.189	S	C	.	.			trans	-92.7	-42.7	175.1	173	-101.4	0	0	0	111.7	P31 W55 I57 F69	P31-Y51 HydrophobicContact CB-CD1 4.41Å; P31-Y51 HydrophobicContact CB-CE1 3.59Å; P31-Y51 HydrophobicContact CG-CD1 3.96Å; P31-Y51 HydrophobicContact CG-CE1 3.53Å; Y51-W55 WeakPolarHBondContact CA-O 3.11Å; Y51-W55 WeakPolarHBondContact CB-O 3.41Å; Y51-W55 HydrophobicContact CD1-CB 4.07Å; Y51-W55 PolarHBondContact N-O 3.36Å; Y51-I57 HydrophobicContact CD2-CD1 3.79Å; Y51-I57 HydrophobicContact CG-CD1 3.99Å; Y51-F69 HydrophobicContact CD1-CD1 4.23Å; Y51-F69 AromaticContact CD1-CE1 3.78Å; Y51-F69 HydrophobicContact CD1-CE1 3.78Å; Y51-F69 HydrophobicContact CD2-CE1 4.08Å; Y51-F69 AromaticContact CE1-CE1 3.98Å; Y51-F69 HydrophobicContact CE1-CE1 3.98Å; Y51-F69 HydrophobicContact CE2-CE1 4.28Å; Y51-F69 HydrophobicContact CG-CD1 4.38Å; Y51-F69 AromaticContact CG-CE1 3.82Å; Y51-F69 HydrophobicContact CG-CE1 3.82Å
52	S	93.4	Very high	95.8	Very high	43 Å²	43	41.3 Å²	41.3	30%	0.301	19%	0.191	S	C	.	.	S	Bend	trans	-151.1	-173.6	175	73.7	0	0	0	0	110.2	K50 N54 W55	K50-S52 WeakPolarHBondContact CE-O 3.29Å; K50-S52 WeakPolarHBondContact CG-O 3.5Å; S52-N54 PolarHBondContact O-N 3.28Å; S52-N54 PolarHBondContact OG-N 2.93Å; S52-W55 PolarHBondContact N-O 2.77Å; S52-W55 VanDerWaalsContact O-O 3.13Å; S52-W55 PolarHBondContact OG-N 3.42Å
53	N	93.4	Very high	95.7	Very high	94 Å²	94	41.6 Å²	41.6	50%	0.503	19%	0.194	S	C	.	.	S	Bend	trans	-65.5	-28.2	172.9	-73.4	-10.7	0	0	0	112.7	K50 S72 L74	K50-N53 VanDerWaalsContact CE-OD1 3.28Å; K50-N53 WeakPolarHBondContact CE-OD1 3.44Å; K50-N53 PolarHBondContact NZ-OD1 2.7Å; N53-S72 VanDerWaalsContact O-CB 3.29Å; N53-S72 WeakPolarHBondContact O-CB 3.48Å; N53-S72 PolarHBondContact O-OG 2.85Å; N53-L74 HydrophobicContact CB-CD2 4.49Å
54	N	94	Very high	95.4	Very high	60 Å²	60	42.8 Å²	42.8	32%	0.321	22%	0.218	S	C	.	.	S	Bend	trans	-96.1	-19.3	-177	-68.3	-13	0	0	0	113.5	S52 S72 R75	S52-N54 PolarHBondContact O-N 3.28Å; S52-N54 PolarHBondContact OG-N 2.93Å; N54-S72 WeakPolarHBondContact CA-OG 3.16Å; N54-S72 PolarHBondContact O-N 3.06Å; N54-S72 PolarHBondContact O-OG 3Å; N54-R75 HydrophobicContact CB-CB 4.28Å; N54-R75 VanDerWaalsContact O-CB 3.29Å; N54-R75 WeakPolarHBondContact O-CB 3.35Å; N54-R75 WeakPolarHBondContact O-CD 3.15Å
55	W	95.3	Very high	95.1	Very high	8 Å²	8	41.5 Å²	41.5	3%	0.03	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.4	-169.6	-68.1	109.7	0	0	0	112.4	Y22 D27 D29 C30 P31 A36 Y51 S52 F69 P71 R75	Y22-W55 VanDerWaalsContact OH-CH2 3.24Å; Y22-W55 WeakPolarHBondContact OH-CH2 3.49Å; D27-W55 WeakPolarHBondContact OD2-CH2 3.17Å; D29-W55 PolarHBondContact O-NE1 3.27Å; C30-W55 VanDerWaalsContact CA-CZ2 3.44Å; C30-W55 HydrophobicContact CB-CH2 4.06Å; C30-W55 HydrophobicContact CB-CZ2 4Å; P31-W55 HydrophobicContact CG-CB 4.39Å; P31-W55 HydrophobicContact CG-CD2 4.39Å; P31-W55 HydrophobicContact CG-CG 3.89Å; A36-W55 HydrophobicContact CB-CH2 4.11Å; A36-W55 HydrophobicContact CB-CZ3 4.3Å; Y51-W55 WeakPolarHBondContact CA-O 3.11Å; Y51-W55 WeakPolarHBondContact CB-O 3.41Å; Y51-W55 HydrophobicContact CD1-CB 4.07Å; Y51-W55 PolarHBondContact N-O 3.36Å; S52-W55 PolarHBondContact N-O 2.77Å; S52-W55 VanDerWaalsContact O-O 3.13Å; S52-W55 PolarHBondContact OG-N 3.42Å; W55-F69 HydrophobicContact CB-CD1 4.32Å; W55-F69 HydrophobicContact CD2-CB 4.27Å; W55-F69 HydrophobicContact CE3-CB 3.61Å; W55-F69 HydrophobicContact CZ3-CB 3.85Å; W55-P71 HydrophobicContact CE3-CB 4.37Å; W55-P71 HydrophobicContact CZ3-CB 4.16Å; W55-R75 VanDerWaalsContact CE2-NE 3.33Å
56	W	97	Very high	94.7	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	168.7	163.8	-59.6	-14.3	0	0	0	109.4	F14 I47 F69 V70 P73 Y160	F14-W56 HydrophobicContact CE2-CE3 4.42Å; F14-W56 HydrophobicContact CE2-CH2 4.12Å; F14-W56 AromaticContact CE2-CZ3 3.89Å; F14-W56 HydrophobicContact CE2-CZ3 3.89Å; F14-W56 HydrophobicContact CZ-CD2 4.47Å; F14-W56 HydrophobicContact CZ-CE3 4.17Å; F14-W56 HydrophobicContact CZ-CH2 4.06Å; F14-W56 HydrophobicContact CZ-CZ2 4.39Å; F14-W56 AromaticContact CZ-CZ3 3.96Å; F14-W56 HydrophobicContact CZ-CZ3 3.96Å; I47-W56 HydrophobicContact CD1-CE3 3.87Å; I47-W56 HydrophobicContact CG1-CE3 3.92Å; I47-W56 HydrophobicContact CG1-CZ3 4.3Å; I47-W56 HydrophobicContact CG2-CB 4.07Å; I47-W56 HydrophobicContact CG2-CD2 4.45Å; I47-W56 HydrophobicContact CG2-CE3 4.29Å; I47-W56 HydrophobicContact CG2-CG 4.42Å; W56-F69 CarbonylContact O-C 3.6Å; W56-F69 WeakPolarHBondContact O-CA 3.38Å; W56-V70 HydrophobicContact CB-CB 4.3Å; W56-V70 HydrophobicContact CE3-CG1 4.47Å; W56-V70 PolarHBondContact N-O 3.27Å; W56-V70 PolarHBondContact O-N 3.25Å; W56-P73 HydrophobicContact CH2-CG 3.88Å; W56-P73 HydrophobicContact CZ2-CG 4Å; W56-Y160 HydrophobicContact CE3-CD2 4.42Å; W56-Y160 HydrophobicContact CE3-CE2 4.14Å; W56-Y160 AromaticContact CH2-CD2 3.83Å; W56-Y160 HydrophobicContact CH2-CD2 3.83Å; W56-Y160 HydrophobicContact CH2-CE2 4.22Å; W56-Y160 AromaticContact CZ3-CD2 3.51Å; W56-Y160 HydrophobicContact CZ3-CD2 3.51Å; W56-Y160 AromaticContact CZ3-CE2 3.66Å; W56-Y160 HydrophobicContact CZ3-CE2 3.66Å
57	I	95.9	Very high	94.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.8	170.4	-70.8	167	0	0	0	108.7	L4 R7 K48 E49 Y51 I67 G68 F69	L4-I57 HydrophobicContact CD2-CD1 4.04Å; L4-I57 HydrophobicContact CD2-CG1 4.11Å; L4-I57 HydrophobicContact CD2-CG2 3.78Å; R7-I57 HydrophobicContact CB-CG2 4.24Å; R7-I57 VanDerWaalsContact CD-CD1 3.44Å; R7-I57 VanDerWaalsContact CZ-CD1 3.41Å; K48-I57 PolarHBondContact N-O 3.17Å; E49-I57 HydrophobicContact CG-CB 4.4Å; E49-I57 PolarHBondContact N-O 3.15Å; E49-I57 PolarHBondContact O-N 3.29Å; Y51-I57 HydrophobicContact CD2-CD1 3.79Å; Y51-I57 HydrophobicContact CG-CD1 3.99Å; I57-I67 HydrophobicContact CG2-CD1 3.69Å; I57-I67 HydrophobicContact CG2-CG1 3.79Å; I57-G68 WeakPolarHBondContact CA-O 3.33Å; I57-F69 HydrophobicContact CD1-CD1 4.16Å; I57-F69 HydrophobicContact CD1-CE1 3.7Å; I57-F69 HydrophobicContact CD1-CZ 4.29Å; I57-F69 HydrophobicContact CG1-CD1 3.73Å; I57-F69 HydrophobicContact CG1-CE1 3.81Å; I57-F69 HydrophobicContact CG1-CG 4.47Å
58	G	96.6	Very high	94.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-167.5	-171.4	0	0	0	0	0	111.5	H46 I67 G68	H46-G58 CarbonylContact O-C 3.44Å; H46-G58 WeakPolarHBondContact O-CA 3.36Å; G58-I67 WeakPolarHBondContact O-CA 3.43Å; G58-I67 WeakPolarHBondContact O-CG1 3.27Å; G58-G68 PolarHBondContact N-O 2.95Å; G58-G68 PolarHBondContact O-N 3.42Å; G58-G68 VanDerWaalsContact O-O 3.13Å
59	R	96.3	Very high	94.4	Very high	8 Å²	8	47.3 Å²	47.3	3%	0.03	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.2	178	62.7	-179.3	-63.9	-85.4	-0.4	111.3	L45 H46 R62 A65 D66 A349	L45-R59 CarbonylContact C-O 3.55Å; L45-R59 WeakPolarHBondContact CA-O 3.15Å; H46-R59 HydrophobicContact CB-CG 4.14Å; H46-R59 PolarHBondContact N-O 3.05Å; H46-R59 PolarHBondContact O-N 3.47Å; R59-R62 PolarHBondContact NH2-O 3.38Å; R59-A65 VanDerWaalsContact CZ-O 3.28Å; R59-A65 PolarHBondContact NE-O 3.04Å; R59-A65 PolarHBondContact NH2-O 2.73Å; R59-D66 VanDerWaalsContact CB-O 3.26Å; R59-D66 WeakPolarHBondContact CB-O 3.11Å; R59-A349 PolarHBondContact NH1-O 3.39Å
60	L	97.4	Very high	94.6	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.047	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	137.2	164.7	-175.9	68	0	0	0	109.8	V37 F39 D43 L45 R62 A65	V37-L60 HydrophobicContact CG1-CB 4.27Å; F39-L60 HydrophobicContact CB-CD1 4.47Å; D43-L60 HydrophobicContact CB-CD1 3.71Å; D43-L60 WeakPolarHBondContact OD2-CD1 3.47Å; L45-L60 HydrophobicContact CD2-CB 4.29Å; L45-L60 HydrophobicContact CD2-CD1 3.83Å; L60-R62 HydrophobicContact CD2-CB 4.04Å; L60-R62 VanDerWaalsContact CD2-CZ 3.43Å; L60-R62 HydrophobicContact CG-CB 4.07Å; L60-R62 PolarHBondContact O-N 3.31Å; L60-A65 HydrophobicContact CB-CB 4.08Å; L60-A65 WeakPolarHBondContact O-CB 3.49Å
61	V	97.6	Very high	94.7	Very high	26 Å²	26	40.9 Å²	40.9	16%	0.158	22%	0.22	C	C	.	.	S	Bend	trans	-79.8	75.4	175.7	-176.3	0	0	0	0	109	F44 H46 Y346 A349 T350	F44-V61 HydrophobicContact CB-CB 4.01Å; F44-V61 HydrophobicContact CB-CG2 4.07Å; F44-V61 WeakPolarHBondContact O-CB 3.2Å; F44-V61 WeakPolarHBondContact O-CG2 3.28Å; F44-V61 PolarHBondContact O-N 2.72Å; H46-V61 HydrophobicContact CB-CG2 4.32Å; H46-V61 VanDerWaalsContact CD2-CG2 3.44Å; H46-V61 WeakPolarHBondContact CD2-CG2 3.48Å; V61-Y346 HydrophobicContact CG1-CE2 4.28Å; V61-A349 HydrophobicContact CG1-CB 4.42Å; V61-T350 HydrophobicContact CG1-CG2 3.52Å
62	R	95.3	Very high	94.9	Very high	153 Å²	153	36.1 Å²	36.1	58%	0.577	20%	0.201	S	C	*	.	S	Bend	trans	-144.4	148.7	179	-173.2	173.3	67.7	-162.5	-2	109.4	R59 L60 A65	R59-R62 PolarHBondContact NH2-O 3.38Å; L60-R62 HydrophobicContact CD2-CB 4.04Å; L60-R62 VanDerWaalsContact CD2-CZ 3.43Å; L60-R62 HydrophobicContact CG-CB 4.07Å; L60-R62 PolarHBondContact O-N 3.31Å; R62-A65 HydrophobicContact CB-CB 4.1Å; R62-A65 WeakPolarHBondContact O-CB 3.49Å; R62-A65 PolarHBondContact O-N 3.19Å
63	E	92.9	Very high	95	Very high	107 Å²	107	35 Å²	35	50%	0.5	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	142.7	172.3	-168.1	166.1	-162.6	0	0	110	A65 R348	E63-A65 PolarHBondContact O-N 3.01Å; E63-R348 HydrophobicContact CG-CB 4.47Å; E63-R348 WeakPolarHBondContact OE1-CD 3.44Å; E63-R348 IonicContact OE1-CZ 3.22Å; E63-R348 IonicContact OE1-NE 3.24Å; E63-R348 IonicContact OE1-NH1 2.68Å; E63-R348 PolarHBondContact OE1-NH1 3.49Å; E63-R348 IonicContact OE2-CZ 2.81Å; E63-R348 IonicContact OE2-NH1 3.63Å; E63-R348 PolarHBondContact OE2-NH1 2.8Å
64	G	91.2	Very high	94.9	Very high	75 Å²	75	32.7 Å²	32.7	77%	0.773	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	-3.1	-176.5	0	0	0	0	0	116.8	D66	G64-D66 PolarHBondContact O-N 2.85Å
65	A	92.7	Very high	94.7	Very high	12 Å²	12	30.7 Å²	30.7	10%	0.099	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-79.5	118.9	178.3	0	0	0	0	0	112.2	R59 L60 R62 E63	R59-A65 VanDerWaalsContact CZ-O 3.28Å; R59-A65 PolarHBondContact NE-O 3.04Å; R59-A65 PolarHBondContact NH2-O 2.73Å; L60-A65 HydrophobicContact CB-CB 4.08Å; L60-A65 WeakPolarHBondContact O-CB 3.49Å; R62-A65 HydrophobicContact CB-CB 4.1Å; R62-A65 WeakPolarHBondContact O-CB 3.49Å; R62-A65 PolarHBondContact O-N 3.19Å; E63-A65 PolarHBondContact O-N 3.01Å
66	D	90.4	Very high	94.5	Very high	135 Å²	135	31.1 Å²	31.1	72%	0.722	17%	0.171	S	C	*	.	P	Polyproline II helix	trans	-77.8	170.9	179.6	-83.9	-43.3	0	0	0	114	R59 G64	R59-D66 VanDerWaalsContact CB-O 3.26Å; R59-D66 WeakPolarHBondContact CB-O 3.11Å; G64-D66 PolarHBondContact O-N 2.85Å
67	I	92.7	Very high	94.1	Very high	22 Å²	22	32.8 Å²	32.8	11%	0.113	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-79.3	135.4	172.5	-160.8	176.1	0	0	0	110.8	L4 R7 L8 K48 I57 G58	L4-I67 HydrophobicContact CB-CG2 4.21Å; R7-I67 HydrophobicContact CB-CD1 3.76Å; L8-I67 HydrophobicContact CD2-CB 4.01Å; L8-I67 HydrophobicContact CD2-CG2 3.47Å; L8-I67 VanDerWaalsContact CD2-CG2 3.47Å; L8-I67 HydrophobicContact CG-CG2 4Å; K48-I67 HydrophobicContact CG-CD1 3.89Å; I57-I67 HydrophobicContact CG2-CD1 3.69Å; I57-I67 HydrophobicContact CG2-CG1 3.79Å; G58-I67 WeakPolarHBondContact O-CA 3.43Å; G58-I67 WeakPolarHBondContact O-CG1 3.27Å
68	G	94.7	Very high	93.5	Very high	4 Å²	4	36.9 Å²	36.9	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	-167.5	179	0	0	0	0	0	112.4	C35 I57 G58	C35-G68 CarbonylContact O-C 3.5Å; C35-G68 VanDerWaalsContact O-CA 3.26Å; C35-G68 WeakPolarHBondContact O-CA 3.3Å; I57-G68 WeakPolarHBondContact CA-O 3.33Å; G58-G68 PolarHBondContact N-O 2.95Å; G58-G68 PolarHBondContact O-N 3.42Å; G58-G68 VanDerWaalsContact O-O 3.13Å
69	F	96.1	Very high	92.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.7	176	-65.3	-87.8	0	0	0	110.4	L4 P31 V32 C35 A36 V37 Y51 W55 W56 I57	L4-F69 HydrophobicContact CD1-CD2 4.41Å; L4-F69 HydrophobicContact CD1-CE2 3.96Å; L4-F69 HydrophobicContact CD2-CD2 4.34Å; L4-F69 HydrophobicContact CD2-CE2 3.94Å; L4-F69 HydrophobicContact CD2-CZ 4.15Å; L4-F69 HydrophobicContact CG-CE2 4.06Å; L4-F69 HydrophobicContact CG-CZ 4.41Å; P31-F69 HydrophobicContact CB-CD1 4.29Å; P31-F69 HydrophobicContact CB-CE1 3.8Å; P31-F69 HydrophobicContact CB-CE2 4.41Å; P31-F69 HydrophobicContact CB-CZ 3.87Å; P31-F69 HydrophobicContact CG-CD1 3.82Å; P31-F69 HydrophobicContact CG-CE1 3.78Å; P31-F69 HydrophobicContact CG-CG 4.35Å; P31-F69 HydrophobicContact CG-CZ 4.31Å; V32-F69 HydrophobicContact CB-CE2 3.82Å; V32-F69 HydrophobicContact CG2-CE2 3.65Å; V32-F69 HydrophobicContact CG2-CZ 4.01Å; C35-F69 HydrophobicContact CB-CD2 4Å; C35-F69 HydrophobicContact CB-CE2 4.31Å; C35-F69 PolarHBondContact O-N 3.38Å; A36-F69 CarbonylContact C-O 3.58Å; A36-F69 WeakPolarHBondContact CA-O 3.33Å; V37-F69 PolarHBondContact N-O 3.1Å; Y51-F69 HydrophobicContact CD1-CD1 4.23Å; Y51-F69 AromaticContact CD1-CE1 3.78Å; Y51-F69 HydrophobicContact CD1-CE1 3.78Å; Y51-F69 HydrophobicContact CD2-CE1 4.08Å; Y51-F69 AromaticContact CE1-CE1 3.98Å; Y51-F69 HydrophobicContact CE1-CE1 3.98Å; Y51-F69 HydrophobicContact CE2-CE1 4.28Å; Y51-F69 HydrophobicContact CG-CD1 4.38Å; Y51-F69 AromaticContact CG-CE1 3.82Å; Y51-F69 HydrophobicContact CG-CE1 3.82Å; W55-F69 HydrophobicContact CB-CD1 4.32Å; W55-F69 HydrophobicContact CD2-CB 4.27Å; W55-F69 HydrophobicContact CE3-CB 3.61Å; W55-F69 HydrophobicContact CZ3-CB 3.85Å; W56-F69 CarbonylContact O-C 3.6Å; W56-F69 WeakPolarHBondContact O-CA 3.38Å; I57-F69 HydrophobicContact CD1-CD1 4.16Å; I57-F69 HydrophobicContact CD1-CE1 3.7Å; I57-F69 HydrophobicContact CD1-CZ 4.29Å; I57-F69 HydrophobicContact CG1-CD1 3.73Å; I57-F69 HydrophobicContact CG1-CE1 3.81Å; I57-F69 HydrophobicContact CG1-CG 4.47Å
70	V	97.2	Very high	92.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.4	177.4	173.4	0	0	0	0	107.3	V37 F39 L45 I47 W56 S72 Y160	V37-V70 HydrophobicContact CB-CG2 4.09Å; V37-V70 HydrophobicContact CG2-CG2 4.1Å; F39-V70 HydrophobicContact CE1-CG1 4.46Å; L45-V70 HydrophobicContact CD1-CG1 3.71Å; L45-V70 HydrophobicContact CD1-CG2 4.46Å; I47-V70 HydrophobicContact CD1-CB 4.29Å; I47-V70 HydrophobicContact CD1-CG1 4.1Å; I47-V70 HydrophobicContact CD1-CG2 4.19Å; W56-V70 HydrophobicContact CB-CB 4.3Å; W56-V70 HydrophobicContact CE3-CG1 4.47Å; W56-V70 PolarHBondContact N-O 3.27Å; W56-V70 PolarHBondContact O-N 3.25Å; V70-S72 PolarHBondContact O-N 2.72Å; V70-Y160 WeakPolarHBondContact CG1-OH 3.37Å
71	P	96.7	Very high	91.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	138.1	179.1	27.9	-36.9	0	0	0	110.3	Y22 F39 W55 R75 L76 Y160	Y22-P71 HydrophobicContact CD1-CG 3.71Å; Y22-P71 HydrophobicContact CD2-CG 4Å; Y22-P71 HydrophobicContact CE1-CG 3.69Å; Y22-P71 HydrophobicContact CE2-CB 4.39Å; Y22-P71 HydrophobicContact CE2-CG 3.99Å; Y22-P71 HydrophobicContact CG-CG 3.85Å; F39-P71 HydrophobicContact CE1-CG 4.13Å; F39-P71 HydrophobicContact CZ-CG 4.23Å; W55-P71 HydrophobicContact CE3-CB 4.37Å; W55-P71 HydrophobicContact CZ3-CB 4.16Å; P71-R75 HydrophobicContact CB-CB 4.22Å; P71-R75 HydrophobicContact CB-CG 4.09Å; P71-L76 HydrophobicContact CB-CD2 4.04Å; P71-L76 HydrophobicContact CB-CG 4.06Å; P71-L76 HydrophobicContact CG-CD1 4.36Å; P71-L76 HydrophobicContact CG-CD2 3.72Å; P71-L76 HydrophobicContact CG-CG 4.02Å; P71-Y160 VanDerWaalsContact O-CE2 3.26Å; P71-Y160 WeakPolarHBondContact O-CE2 3.5Å; P71-Y160 PolarHBondContact O-OH 2.99Å
72	S	96.2	Very high	89.7	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.007	28%	0.277	C	S	.	.			trans	-71.9	163.8	175.6	78.5	0	0	0	0	111.2	N53 N54 V70 L74 R75 L76	N53-S72 VanDerWaalsContact O-CB 3.29Å; N53-S72 WeakPolarHBondContact O-CB 3.48Å; N53-S72 PolarHBondContact O-OG 2.85Å; N54-S72 WeakPolarHBondContact CA-OG 3.16Å; N54-S72 PolarHBondContact O-N 3.06Å; N54-S72 PolarHBondContact O-OG 3Å; V70-S72 PolarHBondContact O-N 2.72Å; S72-L74 PolarHBondContact O-N 2.83Å; S72-L74 PolarHBondContact OG-N 2.65Å; S72-R75 PolarHBondContact O-N 3.07Å; S72-R75 VanDerWaalsContact O-N 3.08Å; S72-R75 PolarHBondContact OG-N 3.06Å; S72-L76 PolarHBondContact O-N 2.79Å
73	P	94.5	Very high	88	Confident	20 Å²	20	50.1 Å²	50.1	13%	0.13	27%	0.271	C	S	.	.	H	α-helix	trans	-52.3	-38.1	172.5	-28.6	35.3	0	0	0	113.6	W56 L76 E77 P159 Y160	W56-P73 HydrophobicContact CH2-CG 3.88Å; W56-P73 HydrophobicContact CZ2-CG 4Å; P73-L76 PolarHBondContact O-N 3.05Å; P73-E77 PolarHBondContact O-N 2.79Å; P73-P159 HydrophobicContact CB-CG 3.93Å; P73-Y160 HydrophobicContact CG-CD2 3.83Å; P73-Y160 HydrophobicContact CG-CE2 4.28Å
74	L	91.4	Very high	86	Confident	44 Å²	44	49.5 Å²	49.5	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-47	177.1	-176.2	68.7	0	0	0	111.1	N53 S72 L76 E77 H78	N53-L74 HydrophobicContact CB-CD2 4.49Å; S72-L74 PolarHBondContact O-N 2.83Å; S72-L74 PolarHBondContact OG-N 2.65Å; L74-L76 PolarHBondContact O-N 3.48Å; L74-E77 PolarHBondContact O-N 2.99Å; L74-H78 PolarHBondContact O-CD2 3.05Å; L74-H78 PolarHBondContact O-N 3.1Å; L74-H78 VanDerWaalsContact O-N 3.07Å
75	R	91	Very high	83.5	Confident	18 Å²	18	57 Å²	57	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-41.6	177.5	-175.6	175	-177.5	80.1	7.9	112.1	D27 D29 N54 W55 P71 S72 E77 H78 F79	D27-R75 IonicContact OD1-CZ 2.71Å; D27-R75 IonicContact OD1-NH2 2.98Å; D27-R75 PolarHBondContact OD1-NH2 3.24Å; D27-R75 IonicContact OD2-CZ 2.8Å; D27-R75 IonicContact OD2-NE 3.4Å; D27-R75 PolarHBondContact OD2-NE 2.95Å; D27-R75 IonicContact OD2-NH2 3.43Å; D27-R75 PolarHBondContact OD2-NH2 3.13Å; D29-R75 IonicContact OD2-NH2 3.62Å; N54-R75 HydrophobicContact CB-CB 4.28Å; N54-R75 VanDerWaalsContact O-CB 3.29Å; N54-R75 WeakPolarHBondContact O-CB 3.35Å; N54-R75 WeakPolarHBondContact O-CD 3.15Å; W55-R75 VanDerWaalsContact CE2-NE 3.33Å; P71-R75 HydrophobicContact CB-CB 4.22Å; P71-R75 HydrophobicContact CB-CG 4.09Å; S72-R75 PolarHBondContact O-N 3.07Å; S72-R75 VanDerWaalsContact O-N 3.08Å; S72-R75 PolarHBondContact OG-N 3.06Å; R75-E77 VanDerWaalsContact C-N 3.34Å; R75-E77 PolarHBondContact O-N 3.07Å; R75-H78 PolarHBondContact O-N 3.32Å; R75-F79 HydrophobicContact CG-CD2 4.13Å; R75-F79 HydrophobicContact CG-CE2 3.89Å; R75-F79 WeakPolarHBondContact O-CD2 3.36Å; R75-F79 PolarHBondContact O-N 3.07Å; R75-F79 VanDerWaalsContact O-N 3.11Å
76	L	91.9	Very high	80.7	Confident	17 Å²	17	58.8 Å²	58.8	9%	0.089	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-34.4	176.3	-69.7	175.5	0	0	0	112.7	V20 Y22 F39 P71 S72 P73 L74 F79 R80 P159 Y160	V20-L76 HydrophobicContact CG2-CD1 3.95Å; Y22-L76 HydrophobicContact CD2-CD2 3.9Å; Y22-L76 HydrophobicContact CG-CD2 4.21Å; F39-L76 HydrophobicContact CZ-CD1 4.31Å; P71-L76 HydrophobicContact CB-CD2 4.04Å; P71-L76 HydrophobicContact CB-CG 4.06Å; P71-L76 HydrophobicContact CG-CD1 4.36Å; P71-L76 HydrophobicContact CG-CD2 3.72Å; P71-L76 HydrophobicContact CG-CG 4.02Å; S72-L76 PolarHBondContact O-N 2.79Å; P73-L76 PolarHBondContact O-N 3.05Å; L74-L76 PolarHBondContact O-N 3.48Å; L76-F79 PolarHBondContact O-N 3Å; L76-R80 WeakPolarHBondContact O-CB 3.12Å; L76-R80 PolarHBondContact O-N 3.04Å; L76-P159 HydrophobicContact CB-CB 4.28Å; L76-P159 HydrophobicContact CB-CG 4.39Å; L76-P159 HydrophobicContact CD1-CB 3.65Å; L76-P159 HydrophobicContact CD1-CG 4.18Å; L76-Y160 HydrophobicContact CD1-CE1 3.95Å; L76-Y160 HydrophobicContact CD1-CE2 4.08Å; L76-Y160 WeakPolarHBondContact CD1-OH 3.43Å
77	E	87	Confident	78.1	Confident	38 Å²	38	58.6 Å²	58.6	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-65.8	-39.9	172.9	177.9	144	-112.6	0	0	112	P73 L74 R75 R80 Q81	P73-E77 PolarHBondContact O-N 2.79Å; L74-E77 PolarHBondContact O-N 2.99Å; R75-E77 VanDerWaalsContact C-N 3.34Å; R75-E77 PolarHBondContact O-N 3.07Å; E77-R80 WeakPolarHBondContact O-CB 3.45Å; E77-R80 PolarHBondContact O-N 3.49Å; E77-R80 IonicContact OE1-CZ 3.22Å; E77-R80 IonicContact OE1-NE 2.81Å; E77-R80 IonicContact OE1-NH2 2.75Å; E77-R80 PolarHBondContact OE1-NH2 2.92Å; E77-Q81 WeakPolarHBondContact O-CG 3.4Å; E77-Q81 PolarHBondContact O-N 3.47Å
78	H	85	Confident	75.1	Confident	86 Å²	86	63.2 Å²	63.2	40%	0.398	34%	0.34	S	S	.	.	H	α-helix	trans	-60.4	-47.4	173.8	-71.2	-148.4	0	0	0	111.1	L74 R75 R80 Q81 H82	L74-H78 PolarHBondContact O-CD2 3.05Å; L74-H78 PolarHBondContact O-N 3.1Å; L74-H78 VanDerWaalsContact O-N 3.07Å; R75-H78 PolarHBondContact O-N 3.32Å; H78-R80 VanDerWaalsContact C-N 3.3Å; H78-R80 PolarHBondContact O-N 3.46Å; H78-Q81 PolarHBondContact O-N 3.24Å; H78-Q81 VanDerWaalsContact O-N 3.13Å; H78-H82 PolarHBondContact O-CD2 3.2Å; H78-H82 PolarHBondContact O-N 2.87Å
79	F	81.5	Confident	72.5	Confident	91 Å²	91	67.5 Å²	67.5	40%	0.399	37%	0.37	S	S	.	.	H	α-helix	trans	-58.1	-39.4	174.6	-81.7	-64.5	0	0	0	112.9	Y22 D27 R75 L76 Q81 G83	Y22-F79 HydrophobicContact CE2-CE2 4.13Å; D27-F79 WeakPolarHBondContact OD2-CE2 3.4Å; D27-F79 WeakPolarHBondContact OD2-CZ 3.39Å; R75-F79 HydrophobicContact CG-CD2 4.13Å; R75-F79 HydrophobicContact CG-CE2 3.89Å; R75-F79 WeakPolarHBondContact O-CD2 3.36Å; R75-F79 PolarHBondContact O-N 3.07Å; R75-F79 VanDerWaalsContact O-N 3.11Å; L76-F79 PolarHBondContact O-N 3Å; F79-Q81 VanDerWaalsContact C-N 3.35Å; F79-Q81 PolarHBondContact O-N 3.3Å; F79-G83 WeakPolarHBondContact O-CA 3.49Å; F79-G83 PolarHBondContact O-N 3.1Å
80	R	81.4	Confident	69.8	Low	100 Å²	100	76.6 Å²	76.6	38%	0.377	41%	0.41	S	S	.	.	H	α-helix	trans	-63.5	-37.7	176	-172.7	178.8	70.1	88.1	-4.2	112.6	L76 E77 H78 S84	L76-R80 WeakPolarHBondContact O-CB 3.12Å; L76-R80 PolarHBondContact O-N 3.04Å; E77-R80 WeakPolarHBondContact O-CB 3.45Å; E77-R80 PolarHBondContact O-N 3.49Å; E77-R80 IonicContact OE1-CZ 3.22Å; E77-R80 IonicContact OE1-NE 2.81Å; E77-R80 IonicContact OE1-NH2 2.75Å; E77-R80 PolarHBondContact OE1-NH2 2.92Å; H78-R80 VanDerWaalsContact C-N 3.3Å; H78-R80 PolarHBondContact O-N 3.46Å; R80-S84 PolarHBondContact O-OG 3.21Å
81	Q	75.5	Confident	67.3	Low	104 Å²	104	83.8 Å²	83.8	49%	0.486	44%	0.441	S	S	.	.	H	α-helix	trans	-76.3	-38.3	179.2	-68.2	-179.7	23.3	0	0	112.9	E77 H78 F79 S84	E77-Q81 WeakPolarHBondContact O-CG 3.4Å; E77-Q81 PolarHBondContact O-N 3.47Å; H78-Q81 PolarHBondContact O-N 3.24Å; H78-Q81 VanDerWaalsContact O-N 3.13Å; F79-Q81 VanDerWaalsContact C-N 3.35Å; F79-Q81 PolarHBondContact O-N 3.3Å; Q81-S84 PolarHBondContact O-OG 3.43Å
82	H	68.9	Low	64.7	Low	134 Å²	134	92.3 Å²	92.3	62%	0.62	48%	0.478	S	S	*	.	H	α-helix	trans	-82.7	-39.5	179.9	-67.4	-66.6	0	0	0	113.1	H78 S84 R85	H78-H82 PolarHBondContact O-CD2 3.2Å; H78-H82 PolarHBondContact O-N 2.87Å; H82-S84 PolarHBondContact O-N 2.86Å; H82-S84 VanDerWaalsContact O-N 3.07Å; H82-R85 PolarHBondContact O-N 2.88Å; H82-R85 VanDerWaalsContact O-N 3.12Å
83	G	59.6	Low	62.2	Low	45 Å²	45	98.5 Å²	98.5	46%	0.464	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-5.5	-179.1	0	0	0	0	0	115.4	F79	F79-G83 WeakPolarHBondContact O-CA 3.49Å; F79-G83 PolarHBondContact O-N 3.1Å
84	S	49.8	Very low	59.7	Low	94 Å²	94	103.3 Å²	103.3	66%	0.657	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-0.7	173.8	45.2	0	0	0	0	113.9	R80 Q81 H82	R80-S84 PolarHBondContact O-OG 3.21Å; Q81-S84 PolarHBondContact O-OG 3.43Å; H82-S84 PolarHBondContact O-N 2.86Å; H82-S84 VanDerWaalsContact O-N 3.07Å
85	R	40.2	Very low	57.2	Low	233 Å²	233	106.3 Å²	106.3	88%	0.879	58%	0.575	S	S	*	*	S	Bend	trans	-108.3	0.1	-179	-71	-172.9	172.8	-174.4	-1.5	115.6	H82	H82-R85 PolarHBondContact O-N 2.88Å; H82-R85 VanDerWaalsContact O-N 3.12Å
86	G	32.9	Very low	54.8	Low	49 Å²	49	110.7 Å²	110.7	51%	0.505	61%	0.608	S	S	.	*	S	Bend	trans	-146.6	128	178.1	0	0	0	0	0	113.2
87	V	35.3	Very low	52.5	Low	131 Å²	131	118.7 Å²	118.7	79%	0.794	65%	0.648	S	S	*	*	S	Bend	trans	52.7	83.7	159.9	-164.9	0	0	0	0	116.5	S89	V87-S89 PolarHBondContact O-N 3.26Å
88	S	30.4	Very low	50.4	Low	118 Å²	118	121.1 Å²	121.1	83%	0.825	67%	0.668	S	S	*	*			trans	31.3	54.4	141.3	63.2	0	0	0	0	119.2
89	S	40.2	Very low	48.3	Very low	95 Å²	95	122.4 Å²	122.4	66%	0.664	69%	0.687	S	S	*	*			trans	-101.2	130	169.1	-170.6	0	0	0	0	111.5	V87 F91	V87-S89 PolarHBondContact O-N 3.26Å; S89-F91 PolarHBondContact O-N 2.97Å
90	K	39.6	Very low	46.5	Very low	191 Å²	191	126.7 Å²	126.7	83%	0.83	71%	0.712	S	S	*	*			trans	-82.9	81.9	-166.7	-67.1	172	-178.4	167	0	112.2	K92	K90-K92 PolarHBondContact O-N 2.9Å
91	F	43.5	Very low	44.3	Very low	151 Å²	151	125.5 Å²	125.5	66%	0.662	73%	0.731	S	S	*	*			trans	-65.5	96.6	163.8	-76.5	-77.9	0	0	0	110.6	S89 T93	S89-F91 PolarHBondContact O-N 2.97Å; F91-T93 PolarHBondContact O-N 3.39Å
92	K	43	Very low	42.4	Very low	179 Å²	179	124.5 Å²	124.5	78%	0.778	75%	0.749	S	S	*	*			trans	-81.6	97.3	171.7	-74.1	-175.7	176.7	-179.2	0	110.4	K90	K90-K92 PolarHBondContact O-N 2.9Å
93	T	43.5	Very low	41	Very low	130 Å²	130	123.1 Å²	123.1	80%	0.798	76%	0.761	S	S	*	*			trans	-92.8	88.1	165.3	40	0	0	0	0	110.3	F91 S95	F91-T93 PolarHBondContact O-N 3.39Å; T93-S95 PolarHBondContact O-N 3.32Å
94	S	41.7	Very low	40	Very low	122 Å²	122	128.6 Å²	128.6	85%	0.853	78%	0.778	S	S	*	*			trans	-84.9	91.4	177	55.1	0	0	0	0	111.7
95	S	39	Very low	39.7	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	79%	0.787	S	S	*	*			trans	-126.3	84.9	165.5	62.7	0	0	0	0	110.2	T93	T93-S95 PolarHBondContact O-N 3.32Å
96	S	40.2	Very low	39.7	Very low	110 Å²	110	129.5 Å²	129.5	77%	0.769	78%	0.784	S	S	*	*			trans	-171.8	114.1	161.1	-112.1	0	0	0	0	110.9
97	M	43.6	Very low	40.1	Very low	185 Å²	185	131.7 Å²	131.7	91%	0.911	80%	0.798	S	S	*	*			trans	-93.8	109.4	157.3	-58.8	177.3	85.6	0	0	106.8
98	S	43.9	Very low	40.4	Very low	88 Å²	88	134.9 Å²	134.9	62%	0.615	80%	0.801	S	S	*	*			trans	-160.2	118.6	172.1	55.2	0	0	0	0	112.7
99	S	41	Very low	40.8	Very low	113 Å²	113	134.2 Å²	134.2	79%	0.79	80%	0.796	S	S	*	*			trans	55.6	110.6	149.6	54.3	0	0	0	0	120.1
100	I	43.9	Very low	40.8	Very low	182 Å²	182	135.4 Å²	135.4	93%	0.933	81%	0.805	S	S	*	*			trans	-35.9	140.7	147.4	-67.4	159.5	0	0	0	112.7
101	G	35.6	Very low	40.9	Very low	74 Å²	74	131.9 Å²	131.9	76%	0.763	80%	0.804	S	S	*	*			trans	173.3	102.5	168.1	0	0	0	0	0	110.6
102	G	34.2	Very low	41	Very low	84 Å²	84	128.8 Å²	128.8	87%	0.866	80%	0.801	S	S	*	*			trans	-88.4	153.2	-175.4	0	0	0	0	0	113.8
103	A	39.6	Very low	41	Very low	105 Å²	105	132.1 Å²	132.1	87%	0.868	81%	0.809	S	S	*	*			trans	-154	131	154.7	0	0	0	0	0	109.5
104	L	38.9	Very low	40.8	Very low	159 Å²	159	129 Å²	129	83%	0.832	80%	0.803	S	S	*	*			trans	-92	130.1	175.4	165.1	70.1	0	0	0	108.6
105	D	43.4	Very low	41	Very low	157 Å²	157	128.9 Å²	128.9	84%	0.84	80%	0.802	S	S	*	*			trans	-146.4	87.8	161.7	-110.4	-35.8	0	0	0	114.5
106	K	40.2	Very low	41.4	Very low	190 Å²	190	130.3 Å²	130.3	83%	0.826	81%	0.806	S	S	*	*			trans	15.5	119.4	134.3	-152.3	174.5	-166.7	174.2	0	119.1
107	A	42.3	Very low	41.4	Very low	95 Å²	95	130.8 Å²	130.8	79%	0.785	81%	0.807	S	S	*	*			trans	-142.3	117.3	155.6	0	0	0	0	0	113
108	K	40.9	Very low	41.7	Very low	197 Å²	197	127.5 Å²	127.5	86%	0.857	80%	0.799	S	S	*	*			trans	27.7	113	146.9	-69	175.2	178.7	177.7	0	118.4
109	S	38.1	Very low	41.8	Very low	104 Å²	104	130.2 Å²	130.2	73%	0.727	81%	0.812	S	S	*	*			cis	105.8	117.6	48.4	62.5	0	0	0	0	113.3
110	S	40.4	Very low	41.9	Very low	121 Å²	121	129.9 Å²	129.9	85%	0.846	81%	0.808	S	S	*	*			trans	160.4	153.9	133	52.3	0	0	0	0	112.5
111	S	41.5	Very low	41.8	Very low	116 Å²	116	129.6 Å²	129.6	81%	0.811	80%	0.802	S	S	*	*			trans	71.6	133.4	175.6	-135.6	0	0	0	0	116.4
112	S	45.7	Very low	42.5	Very low	86 Å²	86	133.6 Å²	133.6	60%	0.601	81%	0.805	S	S	*	*			cis	-174.4	147.8	-10.8	49.4	0	0	0	0	112.9
113	R	43.1	Very low	43.1	Very low	249 Å²	249	136.1 Å²	136.1	94%	0.94	80%	0.799	S	S	*	*			trans	80	138.6	153.4	-66.9	161.2	178.9	-179.3	-0.9	121.7
114	G	40.1	Very low	43.5	Very low	66 Å²	66	138.1 Å²	138.1	68%	0.68	80%	0.795	S	S	*	*			trans	108.4	92.8	169.2	0	0	0	0	0	114
115	S	45.3	Very low	43.9	Very low	119 Å²	119	135.7 Å²	135.7	83%	0.832	79%	0.787	S	S	*	*				59	119.6	78	-55.9	0	0	0	0	112.7
116	T	47.5	Very low	44.3	Very low	137 Å²	137	135.8 Å²	135.8	84%	0.84	79%	0.786	S	S	*	*			cis	-158.8	162.7	13.8	19.1	0	0	0	0	111.4
117	P	40.2	Very low	44.6	Very low	120 Å²	120	131.8 Å²	131.8	78%	0.779	78%	0.78	S	S	*	*			trans	-121.3	-154.3	-170.9	42.9	-24.8	0	0	0	114.3
118	P	51	Low	44.7	Very low	116 Å²	116	136.9 Å²	136.9	75%	0.753	78%	0.784	S	S	*	*				-130.7	-178.4	-98.8	42.3	-23.8	0	0	0	116.2
119	T	45.1	Very low	44.8	Very low	145 Å²	145	132.1 Å²	132.1	89%	0.89	78%	0.775	S	S	*	*			trans	-155	153	159.1	11.6	0	0	0	0	113.2
120	P	42.8	Very low	45	Very low	106 Å²	106	135.2 Å²	135.2	69%	0.688	78%	0.779	S	S	*	*			trans	-126.8	-169.4	-161	45.1	-30.3	0	0	0	116.7
121	E	41	Very low	45.1	Very low	175 Å²	175	136.8 Å²	136.8	82%	0.818	78%	0.777	S	S	*	*			trans	71.8	127.8	166.6	-61.9	176.3	137.9	0	0	116.3
122	L	52.1	Low	45	Very low	159 Å²	159	136.3 Å²	136.3	83%	0.832	77%	0.771	S	S	*	*				-160.4	172.3	68.2	-84.9	162.1	0	0	0	113.5
123	D	46.9	Very low	44.5	Very low	137 Å²	137	136.7 Å²	136.7	73%	0.733	77%	0.773	S	S	*	*			trans	-53.4	175.7	-177.9	-46.5	-80.4	0	0	0	116
124	D	47.4	Very low	44.4	Very low	147 Å²	147	132 Å²	132	79%	0.786	77%	0.772	S	S	*	*			cis	-175.6	177	35	-161	-9.6	0	0	0	112.6
125	V	46.5	Very low	44.4	Very low	108 Å²	108	138.1 Å²	138.1	66%	0.655	78%	0.78	S	S	*	*			trans	87.5	91.9	155	-164.9	0	0	0	0	123.2
126	L	51.6	Low	44.1	Very low	159 Å²	159	140.6 Å²	140.6	83%	0.832	78%	0.784	S	S	*	*				66.3	156.7	129.1	-85.9	71.4	0	0	0	126
127	P	47.1	Very low	43.7	Very low	106 Å²	106	144.2 Å²	144.2	69%	0.688	79%	0.788	S	S	*	*			trans	-139.6	-150.4	-157.7	45.9	-24.1	0	0	0	115.3
128	K	45.2	Very low	43.8	Very low	202 Å²	202	144.2 Å²	144.2	88%	0.878	79%	0.791	S	S	*	*			trans	115.3	134.4	171.9	-67.7	164.3	-177.4	177.3	0	111
129	S	43	Very low	43.2	Very low	96 Å²	96	144.7 Å²	144.7	67%	0.671	80%	0.797	S	S	*	*			cis	-143.8	-167	-5.6	55.6	0	0	0	0	108.1
130	E	41	Very low	42.7	Very low	170 Å²	170	140.6 Å²	140.6	79%	0.794	78%	0.784	S	S	*	*			cis	-155.7	-171.3	9.2	-149.3	141.4	-70.5	0	0	111
131	L	42.2	Very low	42.6	Very low	154 Å²	154	144.5 Å²	144.5	81%	0.806	79%	0.793	S	S	*	*			trans	-136.9	178.3	178.1	-114.3	89.7	0	0	0	108.7
132	P	39.4	Very low	42.5	Very low	105 Å²	105	142.2 Å²	142.2	68%	0.682	79%	0.791	S	S	*	*			cis	-144.4	163.9	20.8	43.4	-23.9	0	0	0	119.2
133	S	35.6	Very low	41.8	Very low	94 Å²	94	139.8 Å²	139.8	66%	0.657	79%	0.787	S	S	*	*			trans	45.7	125.2	140	68.6	0	0	0	0	123.1
134	T	42	Very low	41.3	Very low	150 Å²	150	143.2 Å²	143.2	92%	0.92	80%	0.796	S	S	*	*				-145.4	123	122.2	-19	0	0	0	0	110.2
135	K	39.4	Very low	40.9	Very low	195 Å²	195	145.5 Å²	145.5	85%	0.848	80%	0.802	S	S	*	*			trans	-88.1	139.7	174.1	-73.2	172.3	176.6	170.4	0	109.1
136	N	39.1	Very low	40.7	Very low	171 Å²	171	150.6 Å²	150.6	91%	0.914	82%	0.815	S	S	*	*			trans	-149.5	124.1	141.1	-102.7	-23.3	0	0	0	110.5
137	K	40.2	Very low	40	Very low	213 Å²	213	151.9 Å²	151.9	93%	0.926	82%	0.819	S	S	*	*			trans	-119.8	116.3	174.4	-113.1	-173	177.8	-177.1	0	106.3
138	S	40.7	Very low	39.6	Very low	120 Å²	120	156.8 Å²	156.8	84%	0.839	83%	0.83	S	S	*	*			trans	-147.3	118.1	160.1	49.7	0	0	0	0	109.8
139	S	38.9	Very low	39.7	Very low	126 Å²	126	155.7 Å²	155.7	88%	0.881	83%	0.828	S	S	*	*			trans	-74.8	150	170.4	48.3	0	0	0	0	111.1
140	G	33.8	Very low	39.8	Very low	60 Å²	60	158.9 Å²	158.9	62%	0.619	84%	0.836	S	S	*	*			trans	158.5	132.7	156.8	0	0	0	0	0	116.2
141	H	42.6	Very low	40.1	Very low	187 Å²	187	160.5 Å²	160.5	87%	0.866	84%	0.841	S	S	*	*			trans	73.3	94.1	154.9	-53.7	-69.3	0	0	0	119.1
142	T	37.5	Very low	40.1	Very low	128 Å²	128	162.3 Å²	162.3	79%	0.785	84%	0.842	S	S	*	*			trans	-56.1	162.2	148.5	46.6	0	0	0	0	112.9
143	S	37	Very low	40.2	Very low	108 Å²	108	166.6 Å²	166.6	76%	0.755	85%	0.85	S	S	*	*			trans	85.8	93.5	158.8	-48.8	0	0	0	0	119.1
144	K	37.1	Very low	40.8	Very low	208 Å²	208	169.7 Å²	169.7	90%	0.904	85%	0.854	S	S	*	*				170.3	68.7	129.5	-96.5	175.4	176	176.2	0	114.8
145	E	39.1	Very low	41.2	Very low	195 Å²	195	169.5 Å²	169.5	91%	0.911	85%	0.848	S	S	*	*			trans	-140.4	63.7	168.7	-72.9	-154.2	130.9	0	0	114.7
146	K	42.3	Very low	42.6	Very low	216 Å²	216	164.9 Å²	164.9	94%	0.939	83%	0.832	S	S	*	*			trans	-144.8	61	163	-78	-162.9	177.4	178.2	0	113
147	M	36.9	Very low	44.5	Very low	186 Å²	186	160.9 Å²	160.9	92%	0.916	81%	0.814	S	S	*	*			trans	-152.4	43.5	170.1	-153.5	173.2	-179.1	0	0	115.5
148	K	37.7	Very low	46.8	Very low	209 Å²	209	154.7 Å²	154.7	91%	0.909	79%	0.788	S	S	*	*			trans	-143.8	60.9	170.9	-67.7	-169.2	-179.2	176.2	0	113.8
149	Q	48.1	Very low	49.4	Very low	179 Å²	179	150.1 Å²	150.1	84%	0.836	76%	0.756	S	S	*	*			trans	-140.6	47.5	168.5	-72.6	-162.5	0.5	0	0	112.9
150	L	45.2	Very low	52.1	Low	162 Å²	162	144.3 Å²	144.3	85%	0.848	71%	0.714	S	S	*	*			trans	-113.1	13.4	-174.7	-131.9	76.4	0	0	0	115.9
151	F	46.8	Very low	55	Low	204 Å²	204	142.3 Å²	142.3	90%	0.895	69%	0.689	S	S	*	*			trans	-134.5	29.6	179.4	-76	-75.1	0	0	0	114.4	K153	F151-K153 VanDerWaalsContact C-N 3.32Å; F151-K153 PolarHBondContact O-N 3.5Å
152	K	42.4	Very low	57.5	Low	193 Å²	193	134.4 Å²	134.4	84%	0.839	65%	0.653	S	S	*	*			trans	-69.9	96.5	157.7	-87.7	-175.5	173.5	179	0	107.8	Q154	K152-Q154 PolarHBondContact O-N 3.02Å; K152-Q154 VanDerWaalsContact O-N 3.07Å
153	K	41.5	Very low	60.4	Low	194 Å²	194	128.4 Å²	128.4	84%	0.843	62%	0.616	S	S	*	*			trans	-49.7	118.4	159.1	-78.9	177.9	175.1	172.5	0	106.5	F151 D155	F151-K153 VanDerWaalsContact C-N 3.32Å; F151-K153 PolarHBondContact O-N 3.5Å; K153-D155 VanDerWaalsContact C-N 3.32Å; K153-D155 PolarHBondContact O-N 2.89Å
154	Q	47.9	Very low	63.3	Low	159 Å²	159	123.4 Å²	123.4	74%	0.743	58%	0.581	S	S	*	*			trans	-66.7	99.6	171.8	-174.3	176.5	17.3	0	0	105.9	K152 N156	K152-Q154 PolarHBondContact O-N 3.02Å; K152-Q154 VanDerWaalsContact O-N 3.07Å; Q154-N156 PolarHBondContact O-N 3.49Å
155	D	51.5	Low	66.1	Low	146 Å²	146	113.9 Å²	113.9	78%	0.781	54%	0.54	S	S	*	.			trans	-55.3	111.3	179.1	-100.8	-55.7	0	0	0	108.2	K153 V157	K153-D155 VanDerWaalsContact C-N 3.32Å; K153-D155 PolarHBondContact O-N 2.89Å; D155-V157 PolarHBondContact O-N 2.86Å
156	N	68.2	Low	68.9	Low	99 Å²	99	104.6 Å²	104.6	53%	0.529	50%	0.497	S	S	.	.			trans	-76.6	82.2	179.6	-166.5	14.3	0	0	0	107.8	Q154 Q158	Q154-N156 PolarHBondContact O-N 3.49Å; N156-Q158 PolarHBondContact O-N 2.89Å
157	V	78	Confident	71.6	Confident	87 Å²	87	96 Å²	96	53%	0.527	46%	0.458	S	S	.	.			trans	-62.2	108.9	178.7	179.5	0	0	0	0	108.1	N19 D155	N19-V157 HydrophobicContact CB-CG1 3.7Å; D155-V157 PolarHBondContact O-N 2.86Å
158	Q	90.4	Very high	74.5	Confident	82 Å²	82	87.1 Å²	87.1	38%	0.383	42%	0.415	S	S	.	.			trans	-55.9	125.2	175.7	-68.4	-170.5	-31.4	0	0	109.1	N19 N156 Y160	N19-Q158 WeakPolarHBondContact CB-O 3.47Å; N19-Q158 PolarHBondContact ND2-O 2.98Å; N156-Q158 PolarHBondContact O-N 2.89Å; Q158-Y160 PolarHBondContact O-N 3.46Å; Q158-Y160 VanDerWaalsContact O-N 3.13Å
159	P	93.9	Very high	77.4	Confident	24 Å²	24	77.2 Å²	77.2	16%	0.156	37%	0.372	C	S	.	.	S	Bend	trans	-64.7	-24.4	-169.5	24	-34	0	0	0	112.9	N19 V20 P73 L76	N19-P159 PolarHBondContact N-O 3.22Å; V20-P159 HydrophobicContact CG1-CB 4.34Å; V20-P159 HydrophobicContact CG2-CB 3.65Å; P73-P159 HydrophobicContact CB-CG 3.93Å; L76-P159 HydrophobicContact CB-CB 4.28Å; L76-P159 HydrophobicContact CB-CG 4.39Å; L76-P159 HydrophobicContact CD1-CB 3.65Å; L76-P159 HydrophobicContact CD1-CG 4.18Å
160	Y	96.2	Very high	79.8	Confident	4 Å²	4	68.7 Å²	68.7	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147	175.3	-59.3	-39.3	0	0	0	110.6	V16 R17 T18 F39 L45 W56 V70 P71 P73 L76 Q158	V16-Y160 HydrophobicContact CB-CG 4.36Å; V16-Y160 HydrophobicContact CG2-CD1 4.11Å; V16-Y160 HydrophobicContact CG2-CG 4.08Å; R17-Y160 WeakPolarHBondContact O-CA 3.41Å; T18-Y160 HydrophobicContact CG2-CD1 4.27Å; T18-Y160 HydrophobicContact CG2-CE1 4.16Å; F39-Y160 HydrophobicContact CE1-CE1 4.36Å; F39-Y160 HydrophobicContact CE2-CE1 4.1Å; F39-Y160 AromaticContact CZ-CE1 3.68Å; F39-Y160 HydrophobicContact CZ-CE1 3.68Å; F39-Y160 AromaticContact CZ-CZ 3.95Å; F39-Y160 VanDerWaalsContact CZ-OH 3.29Å; F39-Y160 WeakPolarHBondContact CZ-OH 3.27Å; L45-Y160 HydrophobicContact CD1-CE1 4.1Å; W56-Y160 HydrophobicContact CE3-CD2 4.42Å; W56-Y160 HydrophobicContact CE3-CE2 4.14Å; W56-Y160 AromaticContact CH2-CD2 3.83Å; W56-Y160 HydrophobicContact CH2-CD2 3.83Å; W56-Y160 HydrophobicContact CH2-CE2 4.22Å; W56-Y160 AromaticContact CZ3-CD2 3.51Å; W56-Y160 HydrophobicContact CZ3-CD2 3.51Å; W56-Y160 AromaticContact CZ3-CE2 3.66Å; W56-Y160 HydrophobicContact CZ3-CE2 3.66Å; V70-Y160 WeakPolarHBondContact CG1-OH 3.37Å; P71-Y160 VanDerWaalsContact O-CE2 3.26Å; P71-Y160 WeakPolarHBondContact O-CE2 3.5Å; P71-Y160 PolarHBondContact O-OH 2.99Å; P73-Y160 HydrophobicContact CG-CD2 3.83Å; P73-Y160 HydrophobicContact CG-CE2 4.28Å; L76-Y160 HydrophobicContact CD1-CE1 3.95Å; L76-Y160 HydrophobicContact CD1-CE2 4.08Å; L76-Y160 WeakPolarHBondContact CD1-OH 3.43Å; Q158-Y160 PolarHBondContact O-N 3.46Å; Q158-Y160 VanDerWaalsContact O-N 3.13Å
161	E	94.2	Very high	82.4	Confident	18 Å²	18	61.1 Å²	61.1	8%	0.084	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.4	170.8	-179.8	179.1	172.5	0	0	107.9	V16 R17 R215	V16-E161 CarbonylContact C-O 3.53Å; V16-E161 WeakPolarHBondContact CA-O 3.35Å; R17-E161 IonicContact CZ-OE2 2.72Å; R17-E161 PolarHBondContact N-O 2.92Å; R17-E161 IonicContact NE-OE2 3.69Å; R17-E161 PolarHBondContact NE-OE2 2.88Å; R17-E161 IonicContact NH2-OE1 2.73Å; R17-E161 PolarHBondContact NH2-OE1 2.87Å; R17-E161 VanDerWaalsContact NH2-OE1 3.1Å; R17-E161 IonicContact NH2-OE2 3.41Å; R17-E161 PolarHBondContact NH2-OE2 3.35Å; R17-E161 PolarHBondContact O-N 3.18Å; E161-R215 WeakPolarHBondContact OE1-CD 3.18Å
162	I	95.8	Very high	84.8	Confident	22 Å²	22	51.4 Å²	51.4	11%	0.113	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.1	176.3	-73.3	-165.6	0	0	0	109.9	F14 V16 F248 F375	F14-I162 HydrophobicContact CD2-CD1 4.35Å; V16-I162 HydrophobicContact CG1-CG1 4.11Å; I162-F248 HydrophobicContact CG2-CE1 3.68Å; I162-F248 HydrophobicContact CG2-CZ 4.22Å; I162-F375 HydrophobicContact CD1-CB 3.39Å; I162-F375 HydrophobicContact CD1-CD1 3.41Å; I162-F375 VanDerWaalsContact CD1-CD1 3.41Å; I162-F375 HydrophobicContact CD1-CD2 3.67Å; I162-F375 HydrophobicContact CD1-CE1 3.96Å; I162-F375 HydrophobicContact CD1-CE2 4.21Å; I162-F375 HydrophobicContact CD1-CG 3.22Å; I162-F375 HydrophobicContact CD1-CZ 4.34Å; I162-F375 HydrophobicContact CG1-CD1 3.95Å; I162-F375 HydrophobicContact CG1-CD2 4.29Å; I162-F375 HydrophobicContact CG1-CE1 3.98Å; I162-F375 HydrophobicContact CG1-CE2 4.34Å; I162-F375 HydrophobicContact CG1-CG 4.09Å; I162-F375 HydrophobicContact CG1-CZ 4.18Å
163	V	97.3	Very high	87.5	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	160.5	-179	-60.2	0	0	0	0	110.2	A15 R17 F44 F248 A274 A276	A15-V163 HydrophobicContact CB-CG2 4.03Å; A15-V163 PolarHBondContact O-N 3.28Å; A15-V163 VanDerWaalsContact O-N 3.17Å; R17-V163 HydrophobicContact CB-CG1 3.75Å; F44-V163 HydrophobicContact CD1-CG2 4.02Å; F44-V163 HydrophobicContact CE1-CG2 4.2Å; V163-F248 WeakPolarHBondContact O-CE1 3.47Å; V163-A274 WeakPolarHBondContact CA-O 3.31Å; V163-A276 HydrophobicContact CB-CB 4.16Å; V163-A276 HydrophobicContact CG1-CB 3.65Å
164	P	97.8	Very high	90.2	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.013	17%	0.171	C	C	.	.			trans	-51.7	143	171.4	-28.9	38	0	0	0	112.1	M166 I247 F248 S251 A274 L275	P164-M166 VanDerWaalsContact CB-O 3.31Å; P164-M166 WeakPolarHBondContact CB-O 3.39Å; P164-M166 PolarHBondContact O-N 2.71Å; P164-I247 HydrophobicContact CG-CG2 4.45Å; P164-F248 HydrophobicContact CG-CD1 4.31Å; P164-F248 HydrophobicContact CG-CD2 4.18Å; P164-F248 HydrophobicContact CG-CE1 4.17Å; P164-F248 HydrophobicContact CG-CE2 4.02Å; P164-F248 HydrophobicContact CG-CG 4.33Å; P164-F248 HydrophobicContact CG-CZ 4.03Å; P164-F248 VanDerWaalsContact N-CE1 3.34Å; P164-S251 WeakPolarHBondContact CA-OG 3.48Å; P164-S251 WeakPolarHBondContact CB-OG 3.4Å; P164-A274 WeakPolarHBondContact CD-O 3.39Å; P164-L275 WeakPolarHBondContact CD-O 3.26Å; P164-L275 HydrophobicContact CG-CD2 4.2Å
165	T	97.4	Very high	92.6	Very high	8 Å²	8	25.7 Å²	25.7	5%	0.049	14%	0.136	C	C	.	.	S	Bend	trans	-66.1	-29.1	-177.8	34.6	0	0	0	0	112.8	V12 A15 H46 S251 R252	V12-T165 HydrophobicContact CB-CG2 4.27Å; V12-T165 HydrophobicContact CG1-CG2 3.6Å; A15-T165 HydrophobicContact CB-CG2 3.95Å; H46-T165 PolarHBondContact NE2-O 2.88Å; T165-S251 PolarHBondContact N-OG 3.25Å; T165-S251 PolarHBondContact OG1-O 3.48Å; T165-S251 PolarHBondContact OG1-OG 2.71Å; T165-R252 WeakPolarHBondContact OG1-CA 3.32Å; T165-R252 PolarHBondContact OG1-N 3.06Å
166	M	98.2	Very high	94.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.109	C	C	.	.	S	Bend	trans	-115.6	123.7	164.3	-65.4	-65.4	-73.7	0	0	107.8	P164 M254 Q255 L256 Y346 W347 T350	P164-M166 VanDerWaalsContact CB-O 3.31Å; P164-M166 WeakPolarHBondContact CB-O 3.39Å; P164-M166 PolarHBondContact O-N 2.71Å; M166-M254 HydrophobicContact CG-SD 4.42Å; M166-M254 HydrophobicContact SD-CE 3.93Å; M166-M254 HydrophobicContact SD-SD 4.31Å; M166-Q255 WeakPolarHBondContact CB-O 3.44Å; M166-Q255 VanDerWaalsContact CG-O 3.32Å; M166-Q255 WeakPolarHBondContact CG-O 3.39Å; M166-L256 HydrophobicContact CE-CD2 4.1Å; M166-Y346 HydrophobicContact CE-CE1 3.91Å; M166-W347 HydrophobicContact CE-CE3 4.49Å; M166-T350 HydrophobicContact CE-CG2 4.19Å; M166-T350 HydrophobicContact SD-CG2 3.65Å
167	R	98.2	Very high	96.2	Very high	34 Å²	34	16.8 Å²	16.8	13%	0.128	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-64.2	125.8	179.2	-68.5	175	67.5	-165.4	-3.3	108.7	F44 A276 P277 L278 D324 Y346	F44-R167 HydrophobicContact CD1-CG 4.24Å; F44-R167 HydrophobicContact CE1-CG 3.91Å; F44-R167 HydrophobicContact CZ-CG 4.3Å; F44-R167 VanDerWaalsContact CZ-NE 3.34Å; R167-A276 WeakPolarHBondContact CG-O 3.5Å; R167-A276 PolarHBondContact NE-O 3.08Å; R167-P277 PolarHBondContact NH2-O 3.01Å; R167-L278 HydrophobicContact CB-CD1 4.16Å; R167-L278 HydrophobicContact CB-CG 3.83Å; R167-L278 VanDerWaalsContact CZ-CD2 3.44Å; R167-L278 VanDerWaalsContact NH1-CD2 3.26Å; R167-D324 IonicContact CZ-OD1 3.61Å; R167-D324 VanDerWaalsContact CZ-OD1 3.22Å; R167-D324 IonicContact NH1-OD1 2.73Å; R167-D324 PolarHBondContact NH1-OD1 3.48Å; R167-D324 IonicContact NH2-OD1 3.48Å; R167-D324 PolarHBondContact NH2-OD1 3.15Å; R167-D324 IonicContact NH2-OD2 2.92Å; R167-D324 PolarHBondContact NH2-OD2 2.72Å; R167-Y346 PolarHBondContact N-OH 2.65Å
168	P	98.4	Very high	97.1	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-69.2	132.7	179	24	-30.3	0	0	0	111.3	I247 V257 L259 L275 P277 L278	P168-I247 HydrophobicContact CB-CG2 4.33Å; P168-I247 HydrophobicContact CG-CG2 4.2Å; P168-V257 CarbonylContact C-O 3.6Å; P168-V257 VanDerWaalsContact CA-O 3.3Å; P168-V257 WeakPolarHBondContact CA-O 3.46Å; P168-V257 HydrophobicContact CB-CG1 4.43Å; P168-L259 HydrophobicContact CB-CD1 3.55Å; P168-L259 HydrophobicContact CB-CD2 4.43Å; P168-L259 HydrophobicContact CB-CG 3.72Å; P168-L259 HydrophobicContact CG-CD1 4.06Å; P168-L275 WeakPolarHBondContact CD-O 3.37Å; P168-L275 HydrophobicContact CG-CB 4.3Å; P168-P277 HydrophobicContact CG-CB 4.19Å; P168-P277 CarbonylContact O-C 3.49Å; P168-P277 WeakPolarHBondContact O-CA 3.17Å; P168-P277 WeakPolarHBondContact O-CB 3.1Å; P168-L278 PolarHBondContact O-N 3.39Å
169	V	98.7	Very high	97.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	132.4	173.3	-173.5	0	0	0	0	109.5	L171 V257 V258 L259 L278 V280 L343	V169-L171 HydrophobicContact CG1-CD2 4.45Å; V169-V257 PolarHBondContact N-O 2.81Å; V169-V258 HydrophobicContact CB-CB 4.47Å; V169-V258 HydrophobicContact CB-CG1 4.33Å; V169-V258 HydrophobicContact CB-CG2 4.05Å; V169-V258 HydrophobicContact CG2-CG2 4.27Å; V169-L259 PolarHBondContact O-N 3.14Å; V169-L278 WeakPolarHBondContact CA-O 3.31Å; V169-L278 HydrophobicContact CG2-CB 4.36Å; V169-L278 HydrophobicContact CG2-CD1 4.13Å; V169-V280 HydrophobicContact CG1-CG2 3.82Å; V169-L343 HydrophobicContact CG2-CD2 3.84Å
170	V	98.6	Very high	97.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	124.5	178.1	-177.2	0	0	0	0	109.5	L259 I264 L270 P277 L278 I279 V280	V170-L259 HydrophobicContact CG2-CB 4.28Å; V170-L259 HydrophobicContact CG2-CD1 4.35Å; V170-I264 HydrophobicContact CG1-CG2 4.11Å; V170-L270 HydrophobicContact CB-CD1 4.38Å; V170-L270 HydrophobicContact CG1-CD1 4.09Å; V170-L270 HydrophobicContact CG2-CD1 3.88Å; V170-P277 HydrophobicContact CB-CB 4.44Å; V170-P277 HydrophobicContact CG2-CB 3.71Å; V170-L278 PolarHBondContact N-O 3.2Å; V170-I279 HydrophobicContact CB-CD1 4.14Å; V170-V280 PolarHBondContact O-N 2.99Å
171	L	98.5	Very high	97.7	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.016	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.5	175.4	-51.8	-170.8	0	0	0	111.2	V169 K177 Q186 V189 L190 V280 I282	V169-L171 HydrophobicContact CG1-CD2 4.45Å; L171-K177 WeakPolarHBondContact O-CE 3.26Å; L171-K177 PolarHBondContact O-NZ 3.08Å; L171-Q186 HydrophobicContact CB-CG 4.18Å; L171-Q186 HydrophobicContact CD1-CB 4.15Å; L171-Q186 HydrophobicContact CD1-CG 4.3Å; L171-Q186 PolarHBondContact O-NE2 3.11Å; L171-V189 HydrophobicContact CD1-CB 4.1Å; L171-V189 HydrophobicContact CD1-CG1 3.98Å; L171-L190 HydrophobicContact CD1-CD1 4.45Å; L171-L190 HydrophobicContact CD1-CD2 3.76Å; L171-L190 HydrophobicContact CD1-CG 3.69Å; L171-L190 HydrophobicContact CG-CD2 4.17Å; L171-V280 WeakPolarHBondContact CA-O 3.49Å; L171-V280 HydrophobicContact CD2-CB 3.64Å; L171-V280 HydrophobicContact CD2-CG1 3.87Å; L171-V280 HydrophobicContact CD2-CG2 4.13Å; L171-I282 HydrophobicContact CD1-CD1 4.41Å
172	V	98.5	Very high	97.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.9	170.1	-62.3	0	0	0	0	110.8	I264 I279 V280 F281 I282 L315 F323	V172-I264 HydrophobicContact CG1-CG2 4.28Å; V172-I279 HydrophobicContact CG1-CG2 4.39Å; V172-I279 HydrophobicContact CG2-CG2 3.65Å; V172-V280 PolarHBondContact N-O 3Å; V172-F281 HydrophobicContact CG2-CB 4.18Å; V172-F281 HydrophobicContact CG2-CD2 4.45Å; V172-F281 WeakPolarHBondContact O-CA 3.4Å; V172-I282 PolarHBondContact O-N 3.39Å; V172-L315 HydrophobicContact CG2-CD2 4.33Å; V172-F323 HydrophobicContact CG2-CD1 4.39Å; V172-F323 HydrophobicContact CG2-CE1 4.08Å
173	G	98	Very high	98	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.01	10%	0.097	C	C	.	.			trans	75.4	177.3	-177.1	0	0	0	0	0	114.1	S175 Q186 I282	G173-S175 VanDerWaalsContact C-N 3.33Å; G173-Q186 PolarHBondContact O-NE2 2.81Å; G173-I282 CarbonylContact C-O 3.54Å
174	P	98.2	Very high	98	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.026	12%	0.12	C	C	.	.	S	Bend	cis	-78.4	-9.4	5	32.3	-37.6	0	0	0	115.2	M185 I282 I284 A312	P174-M185 HydrophobicContact CG-CE 4.11Å; P174-M185 HydrophobicContact CG-SD 3.79Å; P174-I282 WeakPolarHBondContact CA-O 3.37Å; P174-I282 WeakPolarHBondContact CB-O 3.48Å; P174-I282 HydrophobicContact CG-CG2 4.48Å; P174-I284 HydrophobicContact CB-CB 4.28Å; P174-I284 HydrophobicContact CB-CD1 3.67Å; P174-I284 HydrophobicContact CB-CG1 3.68Å; P174-I284 HydrophobicContact CG-CD1 3.65Å; P174-I284 HydrophobicContact CG-CG1 4.09Å; P174-A312 WeakPolarHBondContact O-CB 3.41Å
175	S	98.4	Very high	98.1	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	13%	0.134	C	C	.	.	S	Bend	trans	-143.5	-160.8	179.7	176.8	0	0	0	0	108.6	G173 T182 Q308	G173-S175 VanDerWaalsContact C-N 3.33Å; S175-T182 WeakPolarHBondContact CB-OG1 3.4Å; S175-Q308 VanDerWaalsContact OG-CA 3.3Å; S175-Q308 WeakPolarHBondContact OG-CA 3.47Å; S175-Q308 WeakPolarHBondContact OG-CB 3.36Å; S175-Q308 WeakPolarHBondContact OG-CG 3.49Å; S175-Q308 PolarHBondContact OG-O 2.78Å
176	L	97.5	Very high	98.1	Very high	40 Å²	40	24.3 Å²	24.3	21%	0.209	13%	0.133	C	C	.	.			trans	-66.3	139	170.5	-67.1	179.3	0	0	0	111.6	Y179 T182 N265 V307 A311	L176-Y179 HydrophobicContact CB-CD2 3.66Å; L176-Y179 HydrophobicContact CB-CE2 3.74Å; L176-Y179 HydrophobicContact CD1-CE2 3.91Å; L176-Y179 HydrophobicContact CG-CE2 4.46Å; L176-T182 WeakPolarHBondContact O-CB 3.18Å; L176-T182 PolarHBondContact O-OG1 3.08Å; L176-N265 VanDerWaalsContact CA-OD1 3.28Å; L176-N265 WeakPolarHBondContact CA-OD1 3.43Å; L176-N265 HydrophobicContact CD2-CB 4.08Å; L176-V307 HydrophobicContact CD1-CG2 3.82Å; L176-A311 HydrophobicContact CB-CB 4.49Å; L176-A311 HydrophobicContact CD1-CB 4.21Å; L176-A311 HydrophobicContact CD2-CB 3.45Å; L176-A311 VanDerWaalsContact CD2-CB 3.45Å; L176-A311 HydrophobicContact CG-CB 3.39Å
177	K	97.8	Very high	98.1	Very high	19 Å²	19	29.6 Å²	29.6	8%	0.083	16%	0.156	C	C	.	.	S	Bend	trans	-65.1	162.2	162	-60.4	-168.1	-179.7	-149.8	0	111.4	L171 Y179 T182 D183 C261 I264 N265	L171-K177 WeakPolarHBondContact O-CE 3.26Å; L171-K177 PolarHBondContact O-NZ 3.08Å; K177-Y179 VanDerWaalsContact C-N 3.28Å; K177-T182 HydrophobicContact CG-CG2 4.08Å; K177-D183 VanDerWaalsContact CA-OD1 3.29Å; K177-D183 WeakPolarHBondContact CA-OD1 3.42Å; K177-C261 WeakPolarHBondContact CD-O 3.49Å; K177-C261 WeakPolarHBondContact CE-O 3.16Å; K177-C261 PolarHBondContact NZ-O 3.48Å; K177-I264 WeakPolarHBondContact CE-O 3.42Å; K177-N265 PolarHBondContact N-OD1 2.99Å
178	G	96.5	Very high	98.1	Very high	60 Å²	60	29.5 Å²	29.5	62%	0.619	16%	0.162	S	C	*	.	S	Bend	trans	78.6	14.4	-172.3	0	0	0	0	0	113.1	D183	G178-D183 VanDerWaalsContact C-OD2 3.27Å; G178-D183 WeakPolarHBondContact CA-OD2 3.37Å; G178-D183 PolarHBondContact N-OD1 2.86Å; G178-D183 PolarHBondContact N-OD2 3.32Å; G178-D183 VanDerWaalsContact N-OD2 3.1Å
179	Y	98.1	Very high	98.1	Very high	46 Å²	46	29.8 Å²	29.8	18%	0.18	16%	0.164	C	C	.	.	S	Bend	trans	-132	137.9	175.3	-64.8	-77.7	0	0	0	109.5	L176 K177 V181 T182 D183 N304 Q308	L176-Y179 HydrophobicContact CB-CD2 3.66Å; L176-Y179 HydrophobicContact CB-CE2 3.74Å; L176-Y179 HydrophobicContact CD1-CE2 3.91Å; L176-Y179 HydrophobicContact CG-CE2 4.46Å; K177-Y179 VanDerWaalsContact C-N 3.28Å; Y179-V181 VanDerWaalsContact C-N 3.26Å; Y179-V181 PolarHBondContact O-N 2.72Å; Y179-T182 PolarHBondContact O-N 2.93Å; Y179-D183 PolarHBondContact N-OD2 3.05Å; Y179-D183 PolarHBondContact O-N 2.91Å; Y179-N304 HydrophobicContact CD1-CB 4.24Å; Y179-N304 HydrophobicContact CE1-CB 3.4Å; Y179-N304 VanDerWaalsContact CE1-CB 3.4Å; Y179-Q308 HydrophobicContact CD1-CG 4.23Å; Y179-Q308 VanDerWaalsContact CD1-NE2 3.3Å; Y179-Q308 HydrophobicContact CD2-CG 3.85Å; Y179-Q308 HydrophobicContact CE1-CG 4.49Å; Y179-Q308 HydrophobicContact CE2-CG 4.12Å; Y179-Q308 HydrophobicContact CG-CG 3.89Å
180	E	98.1	Very high	98.1	Very high	59 Å²	59	30.1 Å²	30.1	28%	0.276	17%	0.166	S	C	.	.	H	α-helix	trans	-53.7	-38	-167.6	-72	167.9	-130.1	0	0	114	M184 R297 Q301	E180-M184 WeakPolarHBondContact O-CB 3.46Å; E180-M184 WeakPolarHBondContact O-CG 3.32Å; E180-M184 PolarHBondContact O-N 3.5Å; E180-R297 HydrophobicContact CB-CG 4.29Å; E180-R297 IonicContact OE2-CZ 2.77Å; E180-R297 IonicContact OE2-NE 2.7Å; E180-R297 PolarHBondContact OE2-NE 2.88Å; E180-R297 IonicContact OE2-NH2 3.62Å; E180-R297 PolarHBondContact OE2-NH2 3.21Å; E180-Q301 HydrophobicContact CB-CG 4.27Å; E180-Q301 HydrophobicContact CG-CG 4.26Å; E180-Q301 WeakPolarHBondContact OE1-CG 3.45Å; E180-Q301 PolarHBondContact OE1-NE2 3.02Å
181	V	98	Very high	98	Very high	10 Å²	10	32.1 Å²	32.1	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-49.1	-179.5	-179.9	0	0	0	0	111.1	Y179 M185 L290 L293 V294 R297	Y179-V181 VanDerWaalsContact C-N 3.26Å; Y179-V181 PolarHBondContact O-N 2.72Å; V181-M185 HydrophobicContact CG1-SD 4.08Å; V181-M185 WeakPolarHBondContact O-CB 3.24Å; V181-M185 VanDerWaalsContact O-CG 3.22Å; V181-M185 WeakPolarHBondContact O-CG 3.45Å; V181-M185 PolarHBondContact O-N 3.12Å; V181-L290 HydrophobicContact CG1-CD1 4.08Å; V181-L293 HydrophobicContact CG1-CB 4.13Å; V181-L293 HydrophobicContact CG2-CB 4.28Å; V181-V294 HydrophobicContact CG2-CG2 3.95Å; V181-R297 HydrophobicContact CG2-CG 3.73Å
182	T	98.2	Very high	98	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.2	-49.3	179.6	-52.1	0	0	0	0	110.9	S175 L176 K177 Y179 M184 M185 Q186	S175-T182 WeakPolarHBondContact CB-OG1 3.4Å; L176-T182 WeakPolarHBondContact O-CB 3.18Å; L176-T182 PolarHBondContact O-OG1 3.08Å; K177-T182 HydrophobicContact CG-CG2 4.08Å; Y179-T182 PolarHBondContact O-N 2.93Å; T182-M184 PolarHBondContact O-N 3.23Å; T182-M185 PolarHBondContact O-N 3.11Å; T182-Q186 HydrophobicContact CG2-CG 4.4Å; T182-Q186 WeakPolarHBondContact O-CG 3.34Å; T182-Q186 PolarHBondContact O-N 2.63Å
183	D	98	Very high	98	Very high	63 Å²	63	34.3 Å²	34.3	34%	0.337	19%	0.186	S	C	.	.	H	α-helix	trans	-68.1	-38.6	-171.5	-58.8	-14.6	0	0	0	111.1	K177 G178 Y179 K187	K177-D183 VanDerWaalsContact CA-OD1 3.29Å; K177-D183 WeakPolarHBondContact CA-OD1 3.42Å; G178-D183 VanDerWaalsContact C-OD2 3.27Å; G178-D183 WeakPolarHBondContact CA-OD2 3.37Å; G178-D183 PolarHBondContact N-OD1 2.86Å; G178-D183 PolarHBondContact N-OD2 3.32Å; G178-D183 VanDerWaalsContact N-OD2 3.1Å; Y179-D183 PolarHBondContact N-OD2 3.05Å; Y179-D183 PolarHBondContact O-N 2.91Å; D183-K187 WeakPolarHBondContact O-CB 3.34Å; D183-K187 PolarHBondContact O-N 2.95Å
184	M	98	Very high	97.9	Very high	102 Å²	102	38.5 Å²	38.5	50%	0.502	20%	0.202	S	C	.	.	H	α-helix	trans	-68.3	-39.8	175	-68.6	179	68.7	0	0	112.5	E180 T182 K187 A188 R297	E180-M184 WeakPolarHBondContact O-CB 3.46Å; E180-M184 WeakPolarHBondContact O-CG 3.32Å; E180-M184 PolarHBondContact O-N 3.5Å; T182-M184 PolarHBondContact O-N 3.23Å; M184-K187 PolarHBondContact O-N 3.04Å; M184-A188 PolarHBondContact O-N 3.16Å; M184-R297 VanDerWaalsContact SD-CZ 3.56Å
185	M	98	Very high	97.9	Very high	62 Å²	62	44.9 Å²	44.9	31%	0.305	23%	0.231	S	C	.	.	H	α-helix	trans	-67.8	-46	178	-73.2	178.9	70.8	0	0	111.6	P174 V181 T182 K187 A188 V189 I282 I284	P174-M185 HydrophobicContact CG-CE 4.11Å; P174-M185 HydrophobicContact CG-SD 3.79Å; V181-M185 HydrophobicContact CG1-SD 4.08Å; V181-M185 WeakPolarHBondContact O-CB 3.24Å; V181-M185 VanDerWaalsContact O-CG 3.22Å; V181-M185 WeakPolarHBondContact O-CG 3.45Å; V181-M185 PolarHBondContact O-N 3.12Å; T182-M185 PolarHBondContact O-N 3.11Å; M185-K187 VanDerWaalsContact C-N 3.35Å; M185-K187 PolarHBondContact O-N 2.92Å; M185-A188 PolarHBondContact O-N 3.42Å; M185-V189 PolarHBondContact O-N 3.1Å; M185-I282 HydrophobicContact CE-CG2 3.93Å; M185-I284 HydrophobicContact CE-CD1 4.19Å; M185-I284 HydrophobicContact CE-CG1 4.2Å; M185-I284 HydrophobicContact SD-CD1 4.06Å
186	Q	98.3	Very high	97.9	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.019	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-42	174.6	-70.9	-160.4	7.5	0	0	111.6	L171 G173 T182 A188 V189 L190 I282	L171-Q186 HydrophobicContact CB-CG 4.18Å; L171-Q186 HydrophobicContact CD1-CB 4.15Å; L171-Q186 HydrophobicContact CD1-CG 4.3Å; L171-Q186 PolarHBondContact O-NE2 3.11Å; G173-Q186 PolarHBondContact O-NE2 2.81Å; T182-Q186 HydrophobicContact CG2-CG 4.4Å; T182-Q186 WeakPolarHBondContact O-CG 3.34Å; T182-Q186 PolarHBondContact O-N 2.63Å; Q186-A188 VanDerWaalsContact C-N 3.33Å; Q186-A188 PolarHBondContact O-N 2.87Å; Q186-V189 PolarHBondContact O-N 3.38Å; Q186-L190 WeakPolarHBondContact O-CB 3.27Å; Q186-L190 VanDerWaalsContact O-CG 3.27Å; Q186-L190 WeakPolarHBondContact O-CG 3.46Å; Q186-L190 PolarHBondContact O-N 2.93Å; Q186-I282 HydrophobicContact CG-CD1 3.91Å
187	K	98	Very high	97.9	Very high	113 Å²	113	46.9 Å²	46.9	49%	0.491	24%	0.235	S	C	.	.	H	α-helix	trans	-58.1	-42.5	175.7	175.2	162.6	169.1	44.5	0	112.4	D183 M184 M185 V189 L190 D191	D183-K187 WeakPolarHBondContact O-CB 3.34Å; D183-K187 PolarHBondContact O-N 2.95Å; M184-K187 PolarHBondContact O-N 3.04Å; M185-K187 VanDerWaalsContact C-N 3.35Å; M185-K187 PolarHBondContact O-N 2.92Å; K187-V189 PolarHBondContact O-N 2.86Å; K187-L190 PolarHBondContact O-N 3.46Å; K187-D191 VanDerWaalsContact NZ-CG 3.25Å; K187-D191 IonicContact NZ-OD1 3.29Å; K187-D191 PolarHBondContact NZ-OD1 3.49Å; K187-D191 IonicContact NZ-OD2 2.7Å; K187-D191 PolarHBondContact NZ-OD2 3.38Å; K187-D191 VanDerWaalsContact O-CB 3.26Å; K187-D191 WeakPolarHBondContact O-CB 3.39Å; K187-D191 PolarHBondContact O-N 3.35Å
188	A	98.3	Very high	97.8	Very high	32 Å²	32	53.7 Å²	53.7	26%	0.264	27%	0.267	S	S	.	.	H	α-helix	trans	-60.2	-46	177.5	0	0	0	0	0	112.2	M184 M185 Q186 D191 F192 L332	M184-A188 PolarHBondContact O-N 3.16Å; M185-A188 PolarHBondContact O-N 3.42Å; Q186-A188 VanDerWaalsContact C-N 3.33Å; Q186-A188 PolarHBondContact O-N 2.87Å; A188-D191 PolarHBondContact O-N 3.48Å; A188-F192 PolarHBondContact O-N 2.75Å; A188-L332 HydrophobicContact CB-CD1 3.95Å; A188-L332 HydrophobicContact CB-CD2 4.02Å
189	V	98.4	Very high	97.8	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.036	27%	0.27	C	S	.	.	H	α-helix	trans	-65.4	-43.7	176.6	177.3	0	0	0	0	111.6	L171 M185 Q186 K187 D191 F192 L193 I282 L332 L339	L171-V189 HydrophobicContact CD1-CB 4.1Å; L171-V189 HydrophobicContact CD1-CG1 3.98Å; M185-V189 PolarHBondContact O-N 3.1Å; Q186-V189 PolarHBondContact O-N 3.38Å; K187-V189 PolarHBondContact O-N 2.86Å; V189-D191 VanDerWaalsContact C-N 3.33Å; V189-D191 PolarHBondContact O-N 3.38Å; V189-F192 PolarHBondContact O-N 3.05Å; V189-L193 WeakPolarHBondContact O-CG 3.3Å; V189-L193 PolarHBondContact O-N 2.98Å; V189-I282 HydrophobicContact CB-CD1 4.45Å; V189-I282 HydrophobicContact CG2-CD1 3.93Å; V189-L332 HydrophobicContact CG2-CD1 4.19Å; V189-L339 HydrophobicContact CG1-CD2 3.58Å
190	L	97.8	Very high	97.7	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-37.9	176.2	-70	173.5	0	0	0	112.2	L171 Q186 K187 R194 V258 D260	L171-L190 HydrophobicContact CD1-CD1 4.45Å; L171-L190 HydrophobicContact CD1-CD2 3.76Å; L171-L190 HydrophobicContact CD1-CG 3.69Å; L171-L190 HydrophobicContact CG-CD2 4.17Å; Q186-L190 WeakPolarHBondContact O-CB 3.27Å; Q186-L190 VanDerWaalsContact O-CG 3.27Å; Q186-L190 WeakPolarHBondContact O-CG 3.46Å; Q186-L190 PolarHBondContact O-N 2.93Å; K187-L190 PolarHBondContact O-N 3.46Å; L190-R194 VanDerWaalsContact C-NH1 3.28Å; L190-R194 WeakPolarHBondContact O-CG 3.46Å; L190-R194 PolarHBondContact O-N 3.01Å; L190-R194 PolarHBondContact O-NH1 2.81Å; L190-V258 HydrophobicContact CD2-CG1 3.44Å; L190-V258 VanDerWaalsContact CD2-CG1 3.44Å; L190-D260 HydrophobicContact CD1-CB 4.01Å
191	D	97.9	Very high	97.7	Very high	42 Å²	42	53 Å²	53	23%	0.225	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-44.8	176.3	-70.9	-4.6	0	0	0	110.7	K187 A188 V189 R194 H195	K187-D191 VanDerWaalsContact NZ-CG 3.25Å; K187-D191 IonicContact NZ-OD1 3.29Å; K187-D191 PolarHBondContact NZ-OD1 3.49Å; K187-D191 IonicContact NZ-OD2 2.7Å; K187-D191 PolarHBondContact NZ-OD2 3.38Å; K187-D191 VanDerWaalsContact O-CB 3.26Å; K187-D191 WeakPolarHBondContact O-CB 3.39Å; K187-D191 PolarHBondContact O-N 3.35Å; A188-D191 PolarHBondContact O-N 3.48Å; V189-D191 VanDerWaalsContact C-N 3.33Å; V189-D191 PolarHBondContact O-N 3.38Å; D191-R194 PolarHBondContact O-N 3Å; D191-R194 IonicContact OD1-CZ 3.04Å; D191-R194 VanDerWaalsContact OD1-CZ 3.22Å; D191-R194 IonicContact OD1-NH1 3.89Å; D191-R194 PolarHBondContact OD1-NH1 3.26Å; D191-R194 IonicContact OD1-NH2 3.72Å; D191-R194 PolarHBondContact OD1-NH2 3.28Å; D191-H195 PolarHBondContact O-N 2.66Å; D191-H195 PolarHBondContact O-ND1 2.66Å
192	F	98.2	Very high	97.7	Very high	48 Å²	48	54.3 Å²	54.3	21%	0.211	27%	0.271	C	S	.	.	H	α-helix	trans	-56.4	-51.9	172.2	167.1	-95.5	0	0	0	111.8	A188 V189 R194 H195 R196 C336 A340	A188-F192 PolarHBondContact O-N 2.75Å; V189-F192 PolarHBondContact O-N 3.05Å; F192-R194 VanDerWaalsContact C-N 3.29Å; F192-R194 PolarHBondContact O-N 2.81Å; F192-H195 PolarHBondContact O-N 3.37Å; F192-H195 VanDerWaalsContact O-N 3.11Å; F192-R196 HydrophobicContact CD1-CB 4.35Å; F192-R196 HydrophobicContact CD2-CB 4.44Å; F192-R196 HydrophobicContact CE1-CB 3.95Å; F192-R196 HydrophobicContact CE1-CG 3.95Å; F192-R196 HydrophobicContact CE2-CB 4.06Å; F192-R196 HydrophobicContact CE2-CG 4.22Å; F192-R196 HydrophobicContact CZ-CB 3.8Å; F192-R196 HydrophobicContact CZ-CG 3.62Å; F192-R196 WeakPolarHBondContact O-CB 3.47Å; F192-R196 PolarHBondContact O-N 2.75Å; F192-C336 HydrophobicContact CD1-CB 3.57Å; F192-C336 HydrophobicContact CD2-CB 3.79Å; F192-C336 HydrophobicContact CE1-CB 3.55Å; F192-C336 WeakPolarHBondContact CE1-O 3.29Å; F192-C336 HydrophobicContact CE2-CB 3.76Å; F192-C336 HydrophobicContact CG-CB 3.69Å; F192-C336 WeakPolarHBondContact CG-SG 3.03Å; F192-C336 HydrophobicContact CZ-CB 3.63Å; F192-A340 HydrophobicContact CE1-CB 4.1Å; F192-A340 HydrophobicContact CZ-CB 4.12Å
193	L	97.9	Very high	97.6	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-56.8	-40.8	-177.7	-74	180	0	0	0	112.9	V189 H195 F197 I201 L339 L343	V189-L193 WeakPolarHBondContact O-CG 3.3Å; V189-L193 PolarHBondContact O-N 2.98Å; L193-H195 VanDerWaalsContact C-N 3.31Å; L193-H195 PolarHBondContact O-N 2.68Å; L193-F197 HydrophobicContact CD2-CD2 4Å; L193-F197 HydrophobicContact CD2-CE2 3.84Å; L193-F197 PolarHBondContact O-N 2.87Å; L193-I201 HydrophobicContact CB-CD1 3.91Å; L193-I201 WeakPolarHBondContact O-CD1 3.47Å; L193-L339 HydrophobicContact CD1-CD2 3.91Å; L193-L339 HydrophobicContact CD2-CD2 3.96Å; L193-L339 HydrophobicContact CD2-CG 4.18Å; L193-L339 HydrophobicContact CG-CD2 4.17Å; L193-L343 HydrophobicContact CD1-CD1 4.45Å; L193-L343 HydrophobicContact CD2-CD1 3.6Å
194	R	96.8	Very high	97.6	Very high	90 Å²	90	54.4 Å²	54.4	34%	0.34	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-33.8	-180	-70.6	-168.9	-41.3	-82.5	3.9	113	L190 D191 F192 E198 S203	L190-R194 VanDerWaalsContact C-NH1 3.28Å; L190-R194 WeakPolarHBondContact O-CG 3.46Å; L190-R194 PolarHBondContact O-N 3.01Å; L190-R194 PolarHBondContact O-NH1 2.81Å; D191-R194 PolarHBondContact O-N 3Å; D191-R194 IonicContact OD1-CZ 3.04Å; D191-R194 VanDerWaalsContact OD1-CZ 3.22Å; D191-R194 IonicContact OD1-NH1 3.89Å; D191-R194 PolarHBondContact OD1-NH1 3.26Å; D191-R194 IonicContact OD1-NH2 3.72Å; D191-R194 PolarHBondContact OD1-NH2 3.28Å; F192-R194 VanDerWaalsContact C-N 3.29Å; F192-R194 PolarHBondContact O-N 2.81Å; R194-E198 PolarHBondContact O-N 2.86Å; R194-S203 VanDerWaalsContact CD-CB 3.48Å
195	H	97.6	Very high	97.5	Very high	138 Å²	138	57.5 Å²	57.5	64%	0.639	28%	0.282	S	S	*	.	H	α-helix	trans	-81.1	-48.1	175	-62.6	90.6	0	0	0	111.3	D191 F192 L193 F197 E198	D191-H195 PolarHBondContact O-N 2.66Å; D191-H195 PolarHBondContact O-ND1 2.66Å; F192-H195 PolarHBondContact O-N 3.37Å; F192-H195 VanDerWaalsContact O-N 3.11Å; L193-H195 VanDerWaalsContact C-N 3.31Å; L193-H195 PolarHBondContact O-N 2.68Å; H195-F197 PolarHBondContact O-N 3.06Å; H195-E198 WeakPolarHBondContact O-CB 3.46Å; H195-E198 PolarHBondContact O-N 2.9Å
196	R	97.8	Very high	97.5	Very high	82 Å²	82	54.5 Å²	54.5	31%	0.309	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-24.2	-176	179.6	57.7	179.8	71.6	4.6	114.1	F192 A340 E344	F192-R196 HydrophobicContact CD1-CB 4.35Å; F192-R196 HydrophobicContact CD2-CB 4.44Å; F192-R196 HydrophobicContact CE1-CB 3.95Å; F192-R196 HydrophobicContact CE1-CG 3.95Å; F192-R196 HydrophobicContact CE2-CB 4.06Å; F192-R196 HydrophobicContact CE2-CG 4.22Å; F192-R196 HydrophobicContact CZ-CB 3.8Å; F192-R196 HydrophobicContact CZ-CG 3.62Å; F192-R196 WeakPolarHBondContact O-CB 3.47Å; F192-R196 PolarHBondContact O-N 2.75Å; R196-A340 HydrophobicContact CG-CB 4.2Å; R196-E344 IonicContact CZ-OE1 2.87Å; R196-E344 IonicContact NH1-OE1 3.29Å; R196-E344 PolarHBondContact NH1-OE1 2.78Å; R196-E344 IonicContact NH2-OE1 3.01Å; R196-E344 PolarHBondContact NH2-OE1 3.23Å
197	F	97.7	Very high	97.2	Very high	1 Å²	1	58.4 Å²	58.4	0%	0.004	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	26	178.1	-64.8	-87.7	0	0	0	113.1	L193 H195 G199 R200 I201 L256 A340 L343 E344	L193-F197 HydrophobicContact CD2-CD2 4Å; L193-F197 HydrophobicContact CD2-CE2 3.84Å; L193-F197 PolarHBondContact O-N 2.87Å; H195-F197 PolarHBondContact O-N 3.06Å; F197-G199 PolarHBondContact O-N 3.02Å; F197-R200 CarbonylContact O-C 3.58Å; F197-R200 WeakPolarHBondContact O-CA 3.41Å; F197-R200 PolarHBondContact O-N 2.97Å; F197-I201 HydrophobicContact CB-CB 3.84Å; F197-I201 HydrophobicContact CB-CD1 4.15Å; F197-I201 HydrophobicContact CB-CG2 4.02Å; F197-I201 WeakPolarHBondContact O-CG2 3.32Å; F197-I201 PolarHBondContact O-N 2.74Å; F197-L256 HydrophobicContact CB-CD1 4.26Å; F197-L256 HydrophobicContact CD1-CD1 3.51Å; F197-L256 HydrophobicContact CD2-CD1 4.44Å; F197-L256 HydrophobicContact CE1-CD1 3.89Å; F197-L256 HydrophobicContact CG-CD1 3.82Å; F197-A340 HydrophobicContact CE2-CB 4.19Å; F197-A340 HydrophobicContact CZ-CB 4.19Å; F197-L343 HydrophobicContact CE1-CB 4.23Å; F197-L343 HydrophobicContact CE2-CB 4.29Å; F197-L343 HydrophobicContact CE2-CD1 4.22Å; F197-L343 HydrophobicContact CZ-CB 3.71Å; F197-L343 HydrophobicContact CZ-CD1 4.47Å; F197-E344 HydrophobicContact CE1-CG 3.93Å; F197-E344 HydrophobicContact CZ-CG 4.1Å
198	E	96.2	Very high	97	Very high	161 Å²	161	54.1 Å²	54.1	75%	0.752	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	135.4	177.4	-172.1	173.8	-172.6	0	0	111.8	R194 H195 R200	R194-E198 PolarHBondContact O-N 2.86Å; H195-E198 WeakPolarHBondContact O-CB 3.46Å; H195-E198 PolarHBondContact O-N 2.9Å; E198-R200 PolarHBondContact O-N 2.81Å
199	G	96	Very high	96.8	Very high	65 Å²	65	55 Å²	55	67%	0.67	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	-8.7	-174.3	0	0	0	0	0	116	F197	F197-G199 PolarHBondContact O-N 3.02Å
200	R	97.5	Very high	96.6	Very high	61 Å²	61	54.7 Å²	54.7	23%	0.23	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	2.1	176.6	-65.5	-170.3	-67.6	149.5	-3.9	114	F197 E198 Q255 L256 E344 W347	F197-R200 CarbonylContact O-C 3.58Å; F197-R200 WeakPolarHBondContact O-CA 3.41Å; F197-R200 PolarHBondContact O-N 2.97Å; E198-R200 PolarHBondContact O-N 2.81Å; R200-Q255 WeakPolarHBondContact O-CB 3.38Å; R200-L256 PolarHBondContact O-N 2.87Å; R200-E344 IonicContact CZ-OE1 3.85Å; R200-E344 IonicContact CZ-OE2 3.51Å; R200-E344 IonicContact NH1-OE1 2.97Å; R200-E344 IonicContact NH1-OE2 3.82Å; R200-E344 PolarHBondContact NH1-OE2 2.85Å; R200-E344 IonicContact NH2-OE1 3.72Å; R200-E344 PolarHBondContact NH2-OE1 3.48Å; R200-E344 IonicContact NH2-OE2 3.69Å; R200-E344 PolarHBondContact NH2-OE2 2.84Å; R200-W347 HydrophobicContact CB-CH2 3.85Å; R200-W347 HydrophobicContact CB-CZ2 4.49Å; R200-W347 HydrophobicContact CB-CZ3 3.89Å; R200-W347 HydrophobicContact CG-CH2 3.82Å; R200-W347 HydrophobicContact CG-CZ2 4.04Å; R200-W347 HydrophobicContact CG-CZ3 4.33Å
201	I	97.8	Very high	96.4	Very high	24 Å²	24	56 Å²	56	12%	0.123	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.7	-171.8	-165	171.3	0	0	0	112.5	L193 F197 L256 V258	L193-I201 HydrophobicContact CB-CD1 3.91Å; L193-I201 WeakPolarHBondContact O-CD1 3.47Å; F197-I201 HydrophobicContact CB-CB 3.84Å; F197-I201 HydrophobicContact CB-CD1 4.15Å; F197-I201 HydrophobicContact CB-CG2 4.02Å; F197-I201 WeakPolarHBondContact O-CG2 3.32Å; F197-I201 PolarHBondContact O-N 2.74Å; I201-L256 CarbonylContact C-O 3.53Å; I201-L256 WeakPolarHBondContact CA-O 3.42Å; I201-L256 HydrophobicContact CB-CB 4.4Å; I201-L256 HydrophobicContact CG1-CB 4.13Å; I201-V258 HydrophobicContact CD1-CG2 3.68Å; I201-V258 HydrophobicContact CG1-CG2 3.91Å
202	I	97.7	Very high	96.1	Very high	39 Å²	39	57.6 Å²	57.6	20%	0.2	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	110.2	171.5	-52.2	179.8	0	0	0	107.6	V204 L250 Q255 L256 V257 V258	I202-V204 HydrophobicContact CG2-CG2 4Å; I202-L250 HydrophobicContact CD1-CD2 4.28Å; I202-L250 HydrophobicContact CG2-CD1 4.33Å; I202-L250 HydrophobicContact CG2-CD2 4.27Å; I202-Q255 HydrophobicContact CD1-CB 4.15Å; I202-Q255 HydrophobicContact CG1-CB 4.02Å; I202-L256 PolarHBondContact N-O 2.91Å; I202-V257 WeakPolarHBondContact O-CA 3.49Å; I202-V258 PolarHBondContact O-N 3.14Å
203	S	96.2	Very high	95.5	Very high	53 Å²	53	56 Å²	56	37%	0.371	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.4	174.3	-169.6	0	0	0	0	110.2	R194	R194-S203 VanDerWaalsContact CD-CB 3.48Å
204	V	96.9	Very high	94.5	Very high	11 Å²	11	62.5 Å²	62.5	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126	-175.7	178.9	0	0	0	0	109.8	I202 I206 L250 V258 L259 D260	I202-V204 HydrophobicContact CG2-CG2 4Å; V204-I206 HydrophobicContact CG1-CD1 3.53Å; V204-I206 HydrophobicContact CG1-CG1 4.24Å; V204-L250 HydrophobicContact CG2-CD1 3.54Å; V204-V258 PolarHBondContact N-O 2.95Å; V204-L259 HydrophobicContact CB-CD2 4.06Å; V204-L259 HydrophobicContact CG1-CD2 4.44Å; V204-L259 CarbonylContact O-C 3.58Å; V204-L259 WeakPolarHBondContact O-CA 3.49Å; V204-D260 PolarHBondContact O-N 3.21Å
205	R	97.1	Very high	93.1	Very high	167 Å²	167	64.7 Å²	64.7	63%	0.63	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	138	166.3	-170.4	171.3	173.4	-156.5	-5.9	110.6	D260 D262	R205-D260 CarbonylContact C-O 3.42Å; R205-D260 WeakPolarHBondContact CA-O 3.29Å; R205-D262 IonicContact CZ-OD1 3.53Å; R205-D262 IonicContact CZ-OD2 2.72Å; R205-D262 IonicContact NE-OD1 3.91Å; R205-D262 PolarHBondContact NE-OD1 3.13Å; R205-D262 IonicContact NE-OD2 3.17Å; R205-D262 IonicContact NH2-OD1 2.73Å; R205-D262 PolarHBondContact NH2-OD1 3.49Å; R205-D262 IonicContact NH2-OD2 2.99Å; R205-D262 PolarHBondContact NH2-OD2 2.9Å
206	I	96.7	Very high	91	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	109.4	178.6	-51.4	-68.5	0	0	0	108.9	V204 V208 L210 E243 I247 L259 D260 C261 D262	V204-I206 HydrophobicContact CG1-CD1 3.53Å; V204-I206 HydrophobicContact CG1-CG1 4.24Å; I206-V208 HydrophobicContact CG2-CG2 3.72Å; I206-L210 HydrophobicContact CG1-CD1 4.41Å; I206-L210 HydrophobicContact CG2-CD1 3.86Å; I206-L210 HydrophobicContact CG2-CD2 4.27Å; I206-L210 HydrophobicContact CG2-CG 3.81Å; I206-E243 VanDerWaalsContact CD1-OE2 3.23Å; I206-E243 WeakPolarHBondContact CD1-OE2 3.46Å; I206-I247 HydrophobicContact CD1-CD1 4.2Å; I206-I247 HydrophobicContact CD1-CG1 4.45Å; I206-L259 HydrophobicContact CD1-CD2 4.33Å; I206-L259 HydrophobicContact CG1-CB 4.18Å; I206-L259 HydrophobicContact CG1-CD2 4.25Å; I206-D260 PolarHBondContact N-O 3.02Å; I206-C261 HydrophobicContact CB-CB 4.46Å; I206-C261 WeakPolarHBondContact O-CA 3.45Å; I206-D262 PolarHBondContact O-N 3.45Å; I206-D262 VanDerWaalsContact O-N 3.11Å
207	S	92.8	Very high	88.7	Confident	86 Å²	86	62.5 Å²	62.5	60%	0.601	33%	0.327	S	S	*	.			trans	-88.3	-19.9	176.6	52.9	0	0	0	0	113.7
208	V	93.5	Very high	86.1	Confident	22 Å²	22	64.3 Å²	64.3	13%	0.133	34%	0.34	C	S	.	.	S	Bend	trans	-77	152.6	178.6	-55.1	0	0	0	0	111.9	I206 L210 E239 V240 E243	I206-V208 HydrophobicContact CG2-CG2 3.72Å; V208-L210 HydrophobicContact CG2-CD2 3.95Å; V208-L210 HydrophobicContact CG2-CG 4.34Å; V208-L210 PolarHBondContact O-N 3.15Å; V208-L210 VanDerWaalsContact O-N 3.08Å; V208-E239 HydrophobicContact CG1-CB 4.27Å; V208-V240 HydrophobicContact CB-CG2 3.94Å; V208-V240 HydrophobicContact CG2-CG2 4.07Å; V208-E243 HydrophobicContact CG1-CG 4.19Å; V208-E243 HydrophobicContact CG2-CB 3.83Å; V208-E243 HydrophobicContact CG2-CG 3.67Å
209	D	93.4	Very high	83.3	Confident	51 Å²	51	61.4 Å²	61.4	27%	0.273	33%	0.326	S	S	.	.			trans	-79.7	89.7	173.3	-175.6	3.5	0	0	0	111.5	S211 L212 V240	D209-S211 PolarHBondContact O-N 2.81Å; D209-S211 VanDerWaalsContact O-N 3.08Å; D209-S211 WeakPolarHBondContact OD1-CA 3.32Å; D209-S211 WeakPolarHBondContact OD1-CB 3.32Å; D209-S211 PolarHBondContact OD1-N 3.43Å; D209-S211 PolarHBondContact OD1-OG 2.84Å; D209-S211 PolarHBondContact OD2-OG 2.81Å; D209-S211 VanDerWaalsContact OD2-OG 3.11Å; D209-L212 HydrophobicContact CB-CD1 4.22Å; D209-L212 HydrophobicContact CB-CG 4.21Å; D209-L212 WeakPolarHBondContact O-CB 3.49Å; D209-L212 WeakPolarHBondContact O-CG 3.4Å; D209-L212 PolarHBondContact O-N 2.98Å; D209-L212 VanDerWaalsContact O-N 3.12Å; D209-V240 WeakPolarHBondContact O-CG2 3.3Å
210	L	94.7	Very high	80.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-59.6	-14.7	174.8	-67.5	179.5	0	0	0	113.8	I206 V208 L212 A213 E243 V244 I247 L259 L270 T273 L275	I206-L210 HydrophobicContact CG1-CD1 4.41Å; I206-L210 HydrophobicContact CG2-CD1 3.86Å; I206-L210 HydrophobicContact CG2-CD2 4.27Å; I206-L210 HydrophobicContact CG2-CG 3.81Å; V208-L210 HydrophobicContact CG2-CD2 3.95Å; V208-L210 HydrophobicContact CG2-CG 4.34Å; V208-L210 PolarHBondContact O-N 3.15Å; V208-L210 VanDerWaalsContact O-N 3.08Å; L210-L212 PolarHBondContact O-N 3.4Å; L210-A213 VanDerWaalsContact O-CB 3.24Å; L210-A213 WeakPolarHBondContact O-CB 3.34Å; L210-A213 PolarHBondContact O-N 2.72Å; L210-E243 HydrophobicContact CD2-CB 4.21Å; L210-V244 HydrophobicContact CD2-CG2 4.08Å; L210-I247 HydrophobicContact CD1-CD1 3.88Å; L210-I247 HydrophobicContact CD2-CD1 4.34Å; L210-L259 HydrophobicContact CD1-CD1 4.35Å; L210-L270 HydrophobicContact CB-CD2 3.87Å; L210-T273 WeakPolarHBondContact O-CG2 3.27Å; L210-L275 HydrophobicContact CD1-CD1 3.96Å
211	S	93.2	Very high	77.9	Confident	34 Å²	34	62.8 Å²	62.8	24%	0.238	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-67.2	-17.4	175.3	82.8	0	0	0	0	113	D209 A213 Q269	D209-S211 PolarHBondContact O-N 2.81Å; D209-S211 VanDerWaalsContact O-N 3.08Å; D209-S211 WeakPolarHBondContact OD1-CA 3.32Å; D209-S211 WeakPolarHBondContact OD1-CB 3.32Å; D209-S211 PolarHBondContact OD1-N 3.43Å; D209-S211 PolarHBondContact OD1-OG 2.84Å; D209-S211 PolarHBondContact OD2-OG 2.81Å; D209-S211 VanDerWaalsContact OD2-OG 3.11Å; S211-A213 VanDerWaalsContact C-N 3.28Å; S211-A213 PolarHBondContact O-N 3.49Å; S211-Q269 WeakPolarHBondContact CA-O 3.45Å; S211-Q269 WeakPolarHBondContact CB-O 3.43Å
212	L	91.9	Very high	75.2	Confident	75 Å²	75	70 Å²	70	39%	0.393	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-74	-16.4	172.4	-56.7	179.8	0	0	0	113	D209 L210 K214 V240	D209-L212 HydrophobicContact CB-CD1 4.22Å; D209-L212 HydrophobicContact CB-CG 4.21Å; D209-L212 WeakPolarHBondContact O-CB 3.49Å; D209-L212 WeakPolarHBondContact O-CG 3.4Å; D209-L212 PolarHBondContact O-N 2.98Å; D209-L212 VanDerWaalsContact O-N 3.12Å; L210-L212 PolarHBondContact O-N 3.4Å; L212-K214 PolarHBondContact O-N 3.12Å; L212-V240 HydrophobicContact CB-CG1 4.39Å; L212-V240 HydrophobicContact CB-CG2 4.43Å
213	A	86.3	Confident	72.9	Confident	15 Å²	15	76.9 Å²	76.9	12%	0.124	39%	0.392	C	S	.	.			trans	-73	68.6	179.3	0	0	0	0	0	112.8	L210 S211 V240 V244 T273	L210-A213 VanDerWaalsContact O-CB 3.24Å; L210-A213 WeakPolarHBondContact O-CB 3.34Å; L210-A213 PolarHBondContact O-N 2.72Å; S211-A213 VanDerWaalsContact C-N 3.28Å; S211-A213 PolarHBondContact O-N 3.49Å; A213-V240 HydrophobicContact CB-CG1 3.76Å; A213-V244 HydrophobicContact CB-CG2 3.72Å; A213-T273 HydrophobicContact CB-CG2 4.13Å; A213-T273 WeakPolarHBondContact O-CA 3.44Å; A213-T273 WeakPolarHBondContact O-CG2 3.32Å
214	K	77.6	Confident	70.3	Confident	138 Å²	138	80.4 Å²	80.4	60%	0.6	41%	0.412	S	S	*	.			trans	-68.5	149.1	177.2	-63.3	175.2	-173.1	170.1	0	110.9	L212 T216	L212-K214 PolarHBondContact O-N 3.12Å; K214-T216 PolarHBondContact O-N 3.07Å; K214-T216 PolarHBondContact O-OG1 2.85Å
215	R	66.9	Low	67.7	Low	135 Å²	135	88 Å²	88	51%	0.509	45%	0.451	S	S	.	.	S	Bend	trans	-56.6	21.6	176.5	-87.9	177.4	-59.3	154.1	-4.3	117.7	E161 F217 K272	E161-R215 WeakPolarHBondContact OE1-CD 3.18Å; R215-F217 PolarHBondContact O-N 3.14Å; R215-K272 VanDerWaalsContact CG-O 3.32Å; R215-K272 WeakPolarHBondContact CG-O 3.32Å; R215-K272 PolarHBondContact N-O 2.94Å
216	T	52.8	Low	64.9	Low	105 Å²	105	83.3 Å²	83.3	64%	0.644	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-74.1	24.4	-179.4	46.5	0	0	0	0	114.7	K214 S218	K214-T216 PolarHBondContact O-N 3.07Å; K214-T216 PolarHBondContact O-OG1 2.85Å; T216-S218 VanDerWaalsContact C-N 3.33Å; T216-S218 PolarHBondContact O-N 2.94Å
217	F	49.2	Very low	62.4	Low	69 Å²	69	90.5 Å²	90.5	30%	0.303	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-76.8	-8.1	-173.7	-111	-80.5	0	0	0	115	R215 V244 F372	R215-F217 PolarHBondContact O-N 3.14Å; F217-V244 HydrophobicContact CE2-CG1 4.36Å; F217-F372 HydrophobicContact CD1-CD1 4.1Å; F217-F372 HydrophobicContact CD1-CE1 4.07Å; F217-F372 AromaticContact CE1-CD1 3.44Å; F217-F372 HydrophobicContact CE1-CD1 3.44Å; F217-F372 VanDerWaalsContact CE1-CD1 3.44Å; F217-F372 AromaticContact CE1-CE1 3.22Å; F217-F372 HydrophobicContact CE1-CE1 3.22Å; F217-F372 HydrophobicContact CE1-CG 4.47Å; F217-F372 HydrophobicContact CE1-CZ 4.12Å; F217-F372 HydrophobicContact CZ-CD1 4.19Å; F217-F372 AromaticContact CZ-CE1 3.5Å; F217-F372 HydrophobicContact CZ-CE1 3.5Å; F217-F372 HydrophobicContact CZ-CZ 4.04Å
218	S	43.8	Very low	60.1	Low	39 Å²	39	97 Å²	97	27%	0.273	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-77.4	-27.5	-172.5	72.9	0	0	0	0	114.9	T216	T216-S218 VanDerWaalsContact C-N 3.33Å; T216-S218 PolarHBondContact O-N 2.94Å
219	H	37.1	Very low	57.9	Low	100 Å²	100	99.1 Å²	99.1	46%	0.463	53%	0.526	S	S	.	.			trans	-144.5	111.1	-177.2	-51.2	-60.3	0	0	0	113.9	A221	H219-A221 PolarHBondContact O-N 3.13Å
220	P	38.2	Very low	55.8	Low	69 Å²	69	101.7 Å²	101.7	45%	0.448	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-63.2	-29.8	164.6	24.8	-32	0	0	0	112	K222 R223	P220-K222 PolarHBondContact O-N 2.72Å; P220-R223 PolarHBondContact O-N 3.48Å
221	A	41.6	Very low	53.9	Low	87 Å²	87	105.8 Å²	105.8	72%	0.719	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-65.2	-7.5	-175.1	0	0	0	0	0	116.3	H219	H219-A221 PolarHBondContact O-N 3.13Å
222	K	42.2	Very low	52.3	Low	175 Å²	175	113.3 Å²	113.3	76%	0.761	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-101.2	3.3	176.9	-83.5	-173.3	176	174.2	0	115	P220 V224	P220-K222 PolarHBondContact O-N 2.72Å; K222-V224 PolarHBondContact O-N 3.1Å
223	R	49.3	Very low	51	Low	183 Å²	183	113 Å²	113	69%	0.691	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	5.3	178.8	-64.7	-171.4	-175.9	175.8	1.9	115.1	P220	P220-R223 PolarHBondContact O-N 3.48Å
224	V	40.6	Very low	49.9	Very low	128 Å²	128	116 Å²	116	78%	0.776	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-11.5	-170.5	-175.7	0	0	0	0	113.5	K222	K222-V224 PolarHBondContact O-N 3.1Å
225	L	43.9	Very low	49.5	Very low	170 Å²	170	113.6 Å²	113.6	89%	0.89	61%	0.606	S	S	*	*	S	Bend	trans	-109.2	84.9	-174.5	-140.3	75.8	0	0	0	114.1
226	G	36.5	Very low	50.3	Low	68 Å²	68	111.2 Å²	111.2	70%	0.701	60%	0.604	S	S	*	*			trans	72	81.3	138.4	0	0	0	0	0	118.9
227	D	44.2	Very low	51.9	Low	152 Å²	152	110.4 Å²	110.4	81%	0.813	60%	0.595	S	S	*	*			trans	-137.2	120.9	143.8	-103.3	-46.2	0	0	0	109.7	S229	D227-S229 PolarHBondContact O-N 3.29Å
228	K	44.5	Very low	53.8	Low	222 Å²	222	110.2 Å²	110.2	97%	0.965	61%	0.606	S	S	*	*			trans	-87.5	58.4	-173.9	-163.9	172.1	-179.9	176.2	0	110
229	S	47.8	Very low	56.1	Low	66 Å²	66	113.7 Å²	113.7	46%	0.462	62%	0.618	S	S	.	*			trans	-114.4	112.7	-167.1	58.4	0	0	0	0	114.3	D227	D227-S229 PolarHBondContact O-N 3.29Å
230	N	50.1	Low	58.8	Low	106 Å²	106	109.1 Å²	109.1	57%	0.567	60%	0.597	S	S	*	*			trans	18.2	111.6	156.5	-161.9	14.9	0	0	0	118.3	R232 S233	N230-R232 PolarHBondContact O-N 3.08Å; N230-S233 WeakPolarHBondContact O-CB 3.4Å; N230-S233 PolarHBondContact O-N 3.15Å
231	S	54.7	Low	61.3	Low	85 Å²	85	108.1 Å²	108.1	59%	0.594	59%	0.586	S	S	*	*	H	α-helix	trans	-47	-28.5	179.5	166	0	0	0	0	115.6	S233 T234 N235	S231-S233 VanDerWaalsContact C-N 3.34Å; S231-S233 PolarHBondContact O-N 2.72Å; S231-T234 PolarHBondContact O-OG1 3.04Å; S231-N235 PolarHBondContact O-N 2.92Å; S231-N235 PolarHBondContact O-OD1 3.37Å
232	R	59.9	Low	63.8	Low	192 Å²	192	105.6 Å²	105.6	73%	0.725	57%	0.569	S	S	*	*	H	α-helix	trans	-62	-38.2	173.6	-64.9	-177.3	-177.8	162.5	1.9	112.9	N230 N235 N236	N230-R232 PolarHBondContact O-N 3.08Å; R232-N235 PolarHBondContact O-N 3.29Å; R232-N236 PolarHBondContact O-N 2.74Å; R232-N236 PolarHBondContact O-OD1 2.82Å
233	S	63.8	Low	66.4	Low	68 Å²	68	99 Å²	99	48%	0.476	54%	0.541	S	S	.	.	H	α-helix	trans	-72.4	-32.8	-176.8	-59.8	0	0	0	0	112.9	N230 S231 L237	N230-S233 WeakPolarHBondContact O-CB 3.4Å; N230-S233 PolarHBondContact O-N 3.15Å; S231-S233 VanDerWaalsContact C-N 3.34Å; S231-S233 PolarHBondContact O-N 2.72Å; S233-L237 PolarHBondContact O-N 3.04Å
234	T	64	Low	68.6	Low	78 Å²	78	90.5 Å²	90.5	48%	0.479	51%	0.51	S	S	.	.	H	α-helix	trans	-69.9	-37.9	175.3	46.5	0	0	0	0	112	S231 L237 A238	S231-T234 PolarHBondContact O-OG1 3.04Å; T234-L237 PolarHBondContact O-N 3.36Å; T234-A238 PolarHBondContact O-N 3.2Å
235	N	68.2	Low	71.2	Confident	89 Å²	89	88.3 Å²	88.3	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-65.1	-48	177.2	-68.8	12	0	0	0	111.1	S231 R232 L237 A238 E239	S231-N235 PolarHBondContact O-N 2.92Å; S231-N235 PolarHBondContact O-OD1 3.37Å; R232-N235 PolarHBondContact O-N 3.29Å; N235-L237 PolarHBondContact O-N 3.32Å; N235-A238 WeakPolarHBondContact O-CB 3.42Å; N235-A238 PolarHBondContact O-N 2.99Å; N235-E239 PolarHBondContact O-N 3.23Å
236	N	83.1	Confident	73.7	Confident	85 Å²	85	84.4 Å²	84.4	46%	0.455	46%	0.464	S	S	.	.	H	α-helix	trans	-56.6	-36.3	176.6	-67.8	22.1	0	0	0	112.6	R232 V240	R232-N236 PolarHBondContact O-N 2.74Å; R232-N236 PolarHBondContact O-OD1 2.82Å; N236-V240 WeakPolarHBondContact O-CB 3.4Å; N236-V240 VanDerWaalsContact O-CG2 3.27Å; N236-V240 WeakPolarHBondContact O-CG2 3.44Å; N236-V240 PolarHBondContact O-N 3.48Å
237	L	87.4	Confident	76.6	Confident	88 Å²	88	81.2 Å²	81.2	46%	0.461	43%	0.431	S	S	.	.	H	α-helix	trans	-70.6	-33.8	177	-175.5	61.8	0	0	0	112.4	S233 T234 N235 Q241	S233-L237 PolarHBondContact O-N 3.04Å; T234-L237 PolarHBondContact O-N 3.36Å; N235-L237 PolarHBondContact O-N 3.32Å; L237-Q241 VanDerWaalsContact O-CB 3.28Å; L237-Q241 WeakPolarHBondContact O-CB 3.29Å; L237-Q241 PolarHBondContact O-N 3.35Å
238	A	88.9	Confident	79.1	Confident	65 Å²	65	74.8 Å²	74.8	54%	0.537	40%	0.396	S	S	.	.	H	α-helix	trans	-69.4	-39.3	174.7	0	0	0	0	0	111.9	T234 N235 Q241 G242	T234-A238 PolarHBondContact O-N 3.2Å; N235-A238 WeakPolarHBondContact O-CB 3.42Å; N235-A238 PolarHBondContact O-N 2.99Å; A238-Q241 WeakPolarHBondContact O-CB 3.48Å; A238-Q241 PolarHBondContact O-N 3.43Å; A238-G242 PolarHBondContact O-N 2.84Å
239	E	92.4	Very high	81.6	Confident	112 Å²	112	69.9 Å²	69.9	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-63.3	-47.9	173.2	-69	172.5	-169.1	0	0	111.6	V208 N235 Q241 G242 E243	V208-E239 HydrophobicContact CG1-CB 4.27Å; N235-E239 PolarHBondContact O-N 3.23Å; E239-Q241 VanDerWaalsContact C-N 3.28Å; E239-Q241 PolarHBondContact O-N 2.84Å; E239-G242 PolarHBondContact O-N 3.17Å; E239-E243 WeakPolarHBondContact O-CG 3.36Å; E239-E243 PolarHBondContact O-N 2.92Å
240	V	93.6	Very high	83.9	Confident	4 Å²	4	69 Å²	69	2%	0.024	37%	0.366	C	S	.	.	H	α-helix	trans	-58.6	-40	174.6	167.7	0	0	0	0	111.7	V208 D209 L212 A213 N236 V244	V208-V240 HydrophobicContact CB-CG2 3.94Å; V208-V240 HydrophobicContact CG2-CG2 4.07Å; D209-V240 WeakPolarHBondContact O-CG2 3.3Å; L212-V240 HydrophobicContact CB-CG1 4.39Å; L212-V240 HydrophobicContact CB-CG2 4.43Å; A213-V240 HydrophobicContact CB-CG1 3.76Å; N236-V240 WeakPolarHBondContact O-CB 3.4Å; N236-V240 VanDerWaalsContact O-CG2 3.27Å; N236-V240 WeakPolarHBondContact O-CG2 3.44Å; N236-V240 PolarHBondContact O-N 3.48Å; V240-V244 WeakPolarHBondContact O-CG2 3.43Å; V240-V244 PolarHBondContact O-N 3.13Å
241	Q	91.4	Very high	86.1	Confident	47 Å²	47	64 Å²	64	22%	0.22	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-48.3	175.5	177.3	71.9	15.3	0	0	111.6	L237 A238 E239 E243 V244 E245	L237-Q241 VanDerWaalsContact O-CB 3.28Å; L237-Q241 WeakPolarHBondContact O-CB 3.29Å; L237-Q241 PolarHBondContact O-N 3.35Å; A238-Q241 WeakPolarHBondContact O-CB 3.48Å; A238-Q241 PolarHBondContact O-N 3.43Å; E239-Q241 VanDerWaalsContact C-N 3.28Å; E239-Q241 PolarHBondContact O-N 2.84Å; Q241-E243 VanDerWaalsContact C-N 3.3Å; Q241-E243 PolarHBondContact O-N 2.94Å; Q241-V244 WeakPolarHBondContact O-CB 3.34Å; Q241-V244 PolarHBondContact O-N 3.48Å; Q241-E245 PolarHBondContact NE2-OE1 3.45Å; Q241-E245 WeakPolarHBondContact O-CG 3.41Å; Q241-E245 PolarHBondContact O-N 3.23Å
242	G	94.2	Very high	88	Confident	35 Å²	35	63.6 Å²	63.6	36%	0.361	33%	0.325	S	S	.	.	H	α-helix	trans	-60.9	-38.9	178.4	0	0	0	0	0	112.6	A238 E239 E245 R246	A238-G242 PolarHBondContact O-N 2.84Å; E239-G242 PolarHBondContact O-N 3.17Å; G242-E245 PolarHBondContact O-N 2.93Å; G242-R246 WeakPolarHBondContact O-CB 3.38Å; G242-R246 PolarHBondContact O-N 3.22Å
243	E	95.5	Very high	89.6	Confident	37 Å²	37	57.2 Å²	57.2	17%	0.173	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-38.8	174.7	-73.3	-71.6	93.6	0	0	112.5	I206 V208 L210 E239 Q241 R246 I247	I206-E243 VanDerWaalsContact CD1-OE2 3.23Å; I206-E243 WeakPolarHBondContact CD1-OE2 3.46Å; V208-E243 HydrophobicContact CG1-CG 4.19Å; V208-E243 HydrophobicContact CG2-CB 3.83Å; V208-E243 HydrophobicContact CG2-CG 3.67Å; L210-E243 HydrophobicContact CD2-CB 4.21Å; E239-E243 WeakPolarHBondContact O-CG 3.36Å; E239-E243 PolarHBondContact O-N 2.92Å; Q241-E243 VanDerWaalsContact C-N 3.3Å; Q241-E243 PolarHBondContact O-N 2.94Å; E243-R246 VanDerWaalsContact CD-NH2 3.26Å; E243-R246 PolarHBondContact O-N 3.42Å; E243-R246 IonicContact OE1-CZ 2.65Å; E243-R246 VanDerWaalsContact OE1-CZ 3.29Å; E243-R246 IonicContact OE1-NE 3.9Å; E243-R246 PolarHBondContact OE1-NE 2.82Å; E243-R246 IonicContact OE1-NH2 3.49Å; E243-R246 PolarHBondContact OE1-NH2 2.86Å; E243-R246 IonicContact OE2-CZ 3.61Å; E243-R246 IonicContact OE2-NE 2.92Å; E243-R246 IonicContact OE2-NH2 2.66Å; E243-R246 PolarHBondContact OE2-NH2 3.07Å; E243-I247 WeakPolarHBondContact O-CD1 3.23Å; E243-I247 WeakPolarHBondContact O-CG1 3.22Å; E243-I247 PolarHBondContact O-N 3.49Å
244	V	95	Very high	91.2	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.024	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-48.7	171.7	168.7	0	0	0	0	110.9	L210 A213 F217 V240 Q241 R246 I247 F248 L275	L210-V244 HydrophobicContact CD2-CG2 4.08Å; A213-V244 HydrophobicContact CB-CG2 3.72Å; F217-V244 HydrophobicContact CE2-CG1 4.36Å; V240-V244 WeakPolarHBondContact O-CG2 3.43Å; V240-V244 PolarHBondContact O-N 3.13Å; Q241-V244 WeakPolarHBondContact O-CB 3.34Å; Q241-V244 PolarHBondContact O-N 3.48Å; V244-R246 VanDerWaalsContact C-N 3.29Å; V244-R246 PolarHBondContact O-N 3.42Å; V244-I247 PolarHBondContact O-N 2.88Å; V244-I247 VanDerWaalsContact O-N 3.17Å; V244-F248 HydrophobicContact CG1-CD2 3.93Å; V244-F248 HydrophobicContact CG1-CE2 3.99Å; V244-F248 WeakPolarHBondContact O-CD2 3.35Å; V244-F248 PolarHBondContact O-N 3.41Å; V244-L275 HydrophobicContact CG1-CD2 4.17Å; V244-L275 HydrophobicContact CG2-CD2 4.48Å
245	E	95.5	Very high	92.7	Very high	82 Å²	82	54.9 Å²	54.9	38%	0.383	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-39.8	178.6	-67.9	177.8	-171.7	0	0	111.6	Q241 G242 F248 E249 F372	Q241-E245 PolarHBondContact NE2-OE1 3.45Å; Q241-E245 WeakPolarHBondContact O-CG 3.41Å; Q241-E245 PolarHBondContact O-N 3.23Å; G242-E245 PolarHBondContact O-N 2.93Å; E245-F248 WeakPolarHBondContact O-CB 3.38Å; E245-F248 PolarHBondContact O-N 3.25Å; E245-E249 PolarHBondContact O-N 3.3Å; E245-F372 HydrophobicContact CB-CE2 4.25Å; E245-F372 HydrophobicContact CG-CE2 3.7Å; E245-F372 HydrophobicContact CG-CZ 3.89Å
246	R	96.9	Very high	94.2	Very high	87 Å²	87	50.7 Å²	50.7	33%	0.328	26%	0.264	S	S	.	.	H	α-helix	trans	-63.2	-41.7	174.1	-169.8	173.6	67.3	81.6	-4.5	112.9	G242 E243 V244 F248 E249 L250	G242-R246 WeakPolarHBondContact O-CB 3.38Å; G242-R246 PolarHBondContact O-N 3.22Å; E243-R246 VanDerWaalsContact CD-NH2 3.26Å; E243-R246 PolarHBondContact O-N 3.42Å; E243-R246 IonicContact OE1-CZ 2.65Å; E243-R246 VanDerWaalsContact OE1-CZ 3.29Å; E243-R246 IonicContact OE1-NE 3.9Å; E243-R246 PolarHBondContact OE1-NE 2.82Å; E243-R246 IonicContact OE1-NH2 3.49Å; E243-R246 PolarHBondContact OE1-NH2 2.86Å; E243-R246 IonicContact OE2-CZ 3.61Å; E243-R246 IonicContact OE2-NE 2.92Å; E243-R246 IonicContact OE2-NH2 2.66Å; E243-R246 PolarHBondContact OE2-NH2 3.07Å; V244-R246 VanDerWaalsContact C-N 3.29Å; V244-R246 PolarHBondContact O-N 3.42Å; R246-F248 VanDerWaalsContact C-N 3.33Å; R246-E249 PolarHBondContact O-N 2.8Å; R246-L250 HydrophobicContact CG-CD1 4.44Å; R246-L250 VanDerWaalsContact O-CG 3.31Å; R246-L250 WeakPolarHBondContact O-CG 3.49Å; R246-L250 PolarHBondContact O-N 3.11Å
247	I	97	Very high	94.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-41.2	175.3	-66.6	159	0	0	0	110.7	P164 P168 I206 L210 E243 V244 S251 L259 L275	P164-I247 HydrophobicContact CG-CG2 4.45Å; P168-I247 HydrophobicContact CB-CG2 4.33Å; P168-I247 HydrophobicContact CG-CG2 4.2Å; I206-I247 HydrophobicContact CD1-CD1 4.2Å; I206-I247 HydrophobicContact CD1-CG1 4.45Å; L210-I247 HydrophobicContact CD1-CD1 3.88Å; L210-I247 HydrophobicContact CD2-CD1 4.34Å; E243-I247 WeakPolarHBondContact O-CD1 3.23Å; E243-I247 WeakPolarHBondContact O-CG1 3.22Å; E243-I247 PolarHBondContact O-N 3.49Å; V244-I247 PolarHBondContact O-N 2.88Å; V244-I247 VanDerWaalsContact O-N 3.17Å; I247-S251 PolarHBondContact O-N 2.76Å; I247-S251 VanDerWaalsContact O-N 3.17Å; I247-L259 HydrophobicContact CD1-CD1 3.7Å; I247-L259 HydrophobicContact CD1-CD2 4.2Å; I247-L259 HydrophobicContact CG1-CD1 4.22Å; I247-L259 HydrophobicContact CG1-CD2 3.93Å; I247-L259 HydrophobicContact CG2-CD1 4.33Å; I247-L275 HydrophobicContact CB-CD2 4.23Å; I247-L275 HydrophobicContact CD1-CD1 4.22Å; I247-L275 HydrophobicContact CD1-CD2 4.3Å; I247-L275 HydrophobicContact CG2-CD2 3.88Å
248	F	97	Very high	95.4	Very high	17 Å²	17	42.6 Å²	42.6	8%	0.075	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-46.2	174.3	-94.3	-90.3	0	0	0	111.8	I162 V163 P164 V244 E245 R246 S251 A274 L275 F372	I162-F248 HydrophobicContact CG2-CE1 3.68Å; I162-F248 HydrophobicContact CG2-CZ 4.22Å; V163-F248 WeakPolarHBondContact O-CE1 3.47Å; P164-F248 HydrophobicContact CG-CD1 4.31Å; P164-F248 HydrophobicContact CG-CD2 4.18Å; P164-F248 HydrophobicContact CG-CE1 4.17Å; P164-F248 HydrophobicContact CG-CE2 4.02Å; P164-F248 HydrophobicContact CG-CG 4.33Å; P164-F248 HydrophobicContact CG-CZ 4.03Å; P164-F248 VanDerWaalsContact N-CE1 3.34Å; V244-F248 HydrophobicContact CG1-CD2 3.93Å; V244-F248 HydrophobicContact CG1-CE2 3.99Å; V244-F248 WeakPolarHBondContact O-CD2 3.35Å; V244-F248 PolarHBondContact O-N 3.41Å; E245-F248 WeakPolarHBondContact O-CB 3.38Å; E245-F248 PolarHBondContact O-N 3.25Å; R246-F248 VanDerWaalsContact C-N 3.33Å; F248-S251 PolarHBondContact O-N 3.46Å; F248-S251 PolarHBondContact O-OG 2.88Å; F248-A274 HydrophobicContact CZ-CB 4.43Å; F248-L275 HydrophobicContact CD2-CD2 4.41Å; F248-L275 HydrophobicContact CE2-CD2 4.2Å; F248-F372 HydrophobicContact CD2-CZ 4.42Å; F248-F372 HydrophobicContact CG-CZ 4.33Å
249	E	96.4	Very high	95.9	Very high	119 Å²	119	39.6 Å²	39.6	56%	0.556	20%	0.196	S	C	*	.	H	α-helix	trans	-63.4	-49.1	179	-172.2	54.2	-137.7	0	0	112.1	E245 R246 S251 R252	E245-E249 PolarHBondContact O-N 3.3Å; R246-E249 PolarHBondContact O-N 2.8Å; E249-S251 PolarHBondContact O-N 3.44Å; E249-S251 VanDerWaalsContact O-N 3.15Å; E249-R252 VanDerWaalsContact O-CB 3.28Å; E249-R252 WeakPolarHBondContact O-CB 3.47Å; E249-R252 PolarHBondContact O-N 3.09Å; E249-R252 IonicContact OE1-NE 3.57Å; E249-R252 WeakPolarHBondContact OE2-CD 3.47Å; E249-R252 IonicContact OE2-NE 3.55Å
250	L	96.9	Very high	96.1	Very high	47 Å²	47	36.7 Å²	36.7	25%	0.246	18%	0.184	C	C	.	.	H	α-helix	trans	-55.6	-36.6	178.1	-69.5	175.3	0	0	0	112.4	I202 V204 R246 R252 S253 V257	I202-L250 HydrophobicContact CD1-CD2 4.28Å; I202-L250 HydrophobicContact CG2-CD1 4.33Å; I202-L250 HydrophobicContact CG2-CD2 4.27Å; V204-L250 HydrophobicContact CG2-CD1 3.54Å; R246-L250 HydrophobicContact CG-CD1 4.44Å; R246-L250 VanDerWaalsContact O-CG 3.31Å; R246-L250 WeakPolarHBondContact O-CG 3.49Å; R246-L250 PolarHBondContact O-N 3.11Å; L250-R252 PolarHBondContact O-N 3.2Å; L250-S253 WeakPolarHBondContact O-CB 3.28Å; L250-S253 PolarHBondContact O-N 3.45Å; L250-S253 PolarHBondContact O-OG 2.9Å; L250-V257 HydrophobicContact CB-CG2 4.31Å
251	S	96.1	Very high	96.3	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-18.1	179.1	83	0	0	0	0	114.3	P164 T165 I247 F248 E249 S253 M254	P164-S251 WeakPolarHBondContact CA-OG 3.48Å; P164-S251 WeakPolarHBondContact CB-OG 3.4Å; T165-S251 PolarHBondContact N-OG 3.25Å; T165-S251 PolarHBondContact OG1-O 3.48Å; T165-S251 PolarHBondContact OG1-OG 2.71Å; I247-S251 PolarHBondContact O-N 2.76Å; I247-S251 VanDerWaalsContact O-N 3.17Å; F248-S251 PolarHBondContact O-N 3.46Å; F248-S251 PolarHBondContact O-OG 2.88Å; E249-S251 PolarHBondContact O-N 3.44Å; E249-S251 VanDerWaalsContact O-N 3.15Å; S251-S253 VanDerWaalsContact C-N 3.26Å; S251-S253 PolarHBondContact O-N 2.89Å; S251-M254 PolarHBondContact O-N 2.87Å
252	R	94.9	Very high	96.5	Very high	77 Å²	77	37 Å²	37	29%	0.291	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-21.1	179.1	-63.8	171.8	59.1	69.2	-6.2	113	A13 T165 E249 L250 M254	A13-R252 PolarHBondContact O-NH1 3.07Å; T165-R252 WeakPolarHBondContact OG1-CA 3.32Å; T165-R252 PolarHBondContact OG1-N 3.06Å; E249-R252 VanDerWaalsContact O-CB 3.28Å; E249-R252 WeakPolarHBondContact O-CB 3.47Å; E249-R252 PolarHBondContact O-N 3.09Å; E249-R252 IonicContact OE1-NE 3.57Å; E249-R252 WeakPolarHBondContact OE2-CD 3.47Å; E249-R252 IonicContact OE2-NE 3.55Å; L250-R252 PolarHBondContact O-N 3.2Å; R252-M254 PolarHBondContact O-N 3.48Å; R252-M254 VanDerWaalsContact O-N 3.14Å
253	S	94.4	Very high	96.5	Very high	58 Å²	58	37.7 Å²	37.7	41%	0.406	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.2	172.4	67.5	0	0	0	0	113.8	L250 S251 Q255	L250-S253 WeakPolarHBondContact O-CB 3.28Å; L250-S253 PolarHBondContact O-N 3.45Å; L250-S253 PolarHBondContact O-OG 2.9Å; S251-S253 VanDerWaalsContact C-N 3.26Å; S251-S253 PolarHBondContact O-N 2.89Å; S253-Q255 PolarHBondContact O-N 2.91Å; S253-Q255 WeakPolarHBondContact OG-CB 3.45Å; S253-Q255 PolarHBondContact OG-N 2.89Å
254	M	96	Very high	96.6	Very high	34 Å²	34	35.9 Å²	35.9	17%	0.167	18%	0.176	C	C	.	.			trans	60.7	14.2	-170.2	-65.1	-71.7	-56	0	0	114.1	V12 M166 S251 R252 T350 H351	V12-M254 HydrophobicContact CB-SD 4.3Å; V12-M254 HydrophobicContact CG2-CE 4.41Å; V12-M254 HydrophobicContact CG2-SD 3.91Å; M166-M254 HydrophobicContact CG-SD 4.42Å; M166-M254 HydrophobicContact SD-CE 3.93Å; M166-M254 HydrophobicContact SD-SD 4.31Å; S251-M254 PolarHBondContact O-N 2.87Å; R252-M254 PolarHBondContact O-N 3.48Å; R252-M254 VanDerWaalsContact O-N 3.14Å; M254-T350 WeakPolarHBondContact CE-O 3.43Å; M254-H351 PolarHBondContact O-CE1 3.11Å; M254-H351 PolarHBondContact O-NE2 3.12Å
255	Q	97.2	Very high	96.8	Very high	62 Å²	62	37.3 Å²	37.3	29%	0.29	18%	0.183	S	C	.	.	S	Bend	trans	-82.8	159.1	172.7	-63	-175	7.6	0	0	111.6	M166 R200 I202 S253 V257	M166-Q255 WeakPolarHBondContact CB-O 3.44Å; M166-Q255 VanDerWaalsContact CG-O 3.32Å; M166-Q255 WeakPolarHBondContact CG-O 3.39Å; R200-Q255 WeakPolarHBondContact O-CB 3.38Å; I202-Q255 HydrophobicContact CD1-CB 4.15Å; I202-Q255 HydrophobicContact CG1-CB 4.02Å; S253-Q255 PolarHBondContact O-N 2.91Å; S253-Q255 WeakPolarHBondContact OG-CB 3.45Å; S253-Q255 PolarHBondContact OG-N 2.89Å; Q255-V257 PolarHBondContact O-N 2.8Å
256	L	98.3	Very high	96.9	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	127	167.7	-65.3	175	0	0	0	108.5	M166 F197 R200 I201 I202 L343 Y346 W347	M166-L256 HydrophobicContact CE-CD2 4.1Å; F197-L256 HydrophobicContact CB-CD1 4.26Å; F197-L256 HydrophobicContact CD1-CD1 3.51Å; F197-L256 HydrophobicContact CD2-CD1 4.44Å; F197-L256 HydrophobicContact CE1-CD1 3.89Å; F197-L256 HydrophobicContact CG-CD1 3.82Å; R200-L256 PolarHBondContact O-N 2.87Å; I201-L256 CarbonylContact C-O 3.53Å; I201-L256 WeakPolarHBondContact CA-O 3.42Å; I201-L256 HydrophobicContact CB-CB 4.4Å; I201-L256 HydrophobicContact CG1-CB 4.13Å; I202-L256 PolarHBondContact N-O 2.91Å; L256-L343 HydrophobicContact CD1-CB 4.41Å; L256-Y346 HydrophobicContact CD2-CD1 4Å; L256-Y346 HydrophobicContact CD2-CE1 4.41Å; L256-W347 HydrophobicContact CD2-CE3 4.28Å; L256-W347 HydrophobicContact CG-CE3 3.97Å; L256-W347 HydrophobicContact CG-CZ3 4.25Å
257	V	98.4	Very high	96.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.2	175.1	-179.2	0	0	0	0	107.8	P168 V169 I202 L250 Q255 L259	P168-V257 CarbonylContact C-O 3.6Å; P168-V257 VanDerWaalsContact CA-O 3.3Å; P168-V257 WeakPolarHBondContact CA-O 3.46Å; P168-V257 HydrophobicContact CB-CG1 4.43Å; V169-V257 PolarHBondContact N-O 2.81Å; I202-V257 WeakPolarHBondContact O-CA 3.49Å; L250-V257 HydrophobicContact CB-CG2 4.31Å; Q255-V257 PolarHBondContact O-N 2.8Å; V257-L259 HydrophobicContact CG1-CD2 3.84Å
258	V	98.4	Very high	96.9	Very high	2 Å²	2	35 Å²	35	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.6	177	-174.4	0	0	0	0	109.4	V169 L190 I201 I202 V204	V169-V258 HydrophobicContact CB-CB 4.47Å; V169-V258 HydrophobicContact CB-CG1 4.33Å; V169-V258 HydrophobicContact CB-CG2 4.05Å; V169-V258 HydrophobicContact CG2-CG2 4.27Å; L190-V258 HydrophobicContact CD2-CG1 3.44Å; L190-V258 VanDerWaalsContact CD2-CG1 3.44Å; I201-V258 HydrophobicContact CD1-CG2 3.68Å; I201-V258 HydrophobicContact CG1-CG2 3.91Å; I202-V258 PolarHBondContact O-N 3.14Å; V204-V258 PolarHBondContact N-O 2.95Å
259	L	98.2	Very high	96.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	108.5	-179.2	-49.9	-179.6	0	0	0	110.2	P168 V169 V170 V204 I206 L210 I247 V257 C261	P168-L259 HydrophobicContact CB-CD1 3.55Å; P168-L259 HydrophobicContact CB-CD2 4.43Å; P168-L259 HydrophobicContact CB-CG 3.72Å; P168-L259 HydrophobicContact CG-CD1 4.06Å; V169-L259 PolarHBondContact O-N 3.14Å; V170-L259 HydrophobicContact CG2-CB 4.28Å; V170-L259 HydrophobicContact CG2-CD1 4.35Å; V204-L259 HydrophobicContact CB-CD2 4.06Å; V204-L259 HydrophobicContact CG1-CD2 4.44Å; V204-L259 CarbonylContact O-C 3.58Å; V204-L259 WeakPolarHBondContact O-CA 3.49Å; I206-L259 HydrophobicContact CD1-CD2 4.33Å; I206-L259 HydrophobicContact CG1-CB 4.18Å; I206-L259 HydrophobicContact CG1-CD2 4.25Å; L210-L259 HydrophobicContact CD1-CD1 4.35Å; I247-L259 HydrophobicContact CD1-CD1 3.7Å; I247-L259 HydrophobicContact CD1-CD2 4.2Å; I247-L259 HydrophobicContact CG1-CD1 4.22Å; I247-L259 HydrophobicContact CG1-CD2 3.93Å; I247-L259 HydrophobicContact CG2-CD1 4.33Å; V257-L259 HydrophobicContact CG1-CD2 3.84Å; L259-C261 VanDerWaalsContact C-N 3.35Å; L259-C261 VanDerWaalsContact CB-SG 3.59Å; L259-C261 PolarHBondContact O-N 3.33Å; L259-C261 VanDerWaalsContact O-N 3.15Å
260	D	97.5	Very high	96.8	Very high	51 Å²	51	31 Å²	31	27%	0.273	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	84.4	167	-174.5	20.2	0	0	0	108.7	L190 V204 R205 I206	L190-D260 HydrophobicContact CD1-CB 4.01Å; V204-D260 PolarHBondContact O-N 3.21Å; R205-D260 CarbonylContact C-O 3.42Å; R205-D260 WeakPolarHBondContact CA-O 3.29Å; I206-D260 PolarHBondContact N-O 3.02Å
261	C	97.3	Very high	96.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.8	-179	-56.2	0	0	0	0	111.5	K177 I206 L259 T263 I264	K177-C261 WeakPolarHBondContact CD-O 3.49Å; K177-C261 WeakPolarHBondContact CE-O 3.16Å; K177-C261 PolarHBondContact NZ-O 3.48Å; I206-C261 HydrophobicContact CB-CB 4.46Å; I206-C261 WeakPolarHBondContact O-CA 3.45Å; L259-C261 VanDerWaalsContact C-N 3.35Å; L259-C261 VanDerWaalsContact CB-SG 3.59Å; L259-C261 PolarHBondContact O-N 3.33Å; L259-C261 VanDerWaalsContact O-N 3.15Å; C261-T263 VanDerWaalsContact C-N 3.29Å; C261-T263 PolarHBondContact O-N 3.11Å; C261-I264 HydrophobicContact CB-CB 3.96Å; C261-I264 HydrophobicContact CB-CG1 3.63Å
262	D	95.3	Very high	96.3	Very high	59 Å²	59	38.1 Å²	38.1	32%	0.316	21%	0.205	S	C	.	.	S	Bend	trans	-65	-29.6	-179.1	-67.4	7.7	0	0	0	112.9	R205 I206	R205-D262 IonicContact CZ-OD1 3.53Å; R205-D262 IonicContact CZ-OD2 2.72Å; R205-D262 IonicContact NE-OD1 3.91Å; R205-D262 PolarHBondContact NE-OD1 3.13Å; R205-D262 IonicContact NE-OD2 3.17Å; R205-D262 IonicContact NH2-OD1 2.73Å; R205-D262 PolarHBondContact NH2-OD1 3.49Å; R205-D262 IonicContact NH2-OD2 2.99Å; R205-D262 PolarHBondContact NH2-OD2 2.9Å; I206-D262 PolarHBondContact O-N 3.45Å; I206-D262 VanDerWaalsContact O-N 3.11Å
263	T	95.4	Very high	96.2	Very high	48 Å²	48	34.6 Å²	34.6	29%	0.294	19%	0.192	S	C	.	.	S	Bend	trans	-107.6	-11.7	-166.4	54.8	0	0	0	0	115.4	C261 N265 Q269	C261-T263 VanDerWaalsContact C-N 3.29Å; C261-T263 PolarHBondContact O-N 3.11Å; T263-N265 PolarHBondContact O-N 2.98Å; T263-N265 PolarHBondContact O-ND2 3.23Å; T263-Q269 PolarHBondContact O-NE2 3.4Å
264	I	97.5	Very high	96.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.			trans	-89	112.8	-174.5	-55.4	-59	0	0	0	110.3	V170 V172 K177 C261 Q269 L270	V170-I264 HydrophobicContact CG1-CG2 4.11Å; V172-I264 HydrophobicContact CG1-CG2 4.28Å; K177-I264 WeakPolarHBondContact CE-O 3.42Å; C261-I264 HydrophobicContact CB-CB 3.96Å; C261-I264 HydrophobicContact CB-CG1 3.63Å; I264-Q269 HydrophobicContact CD1-CB 4.05Å; I264-L270 HydrophobicContact CD1-CD2 3.73Å; I264-L270 HydrophobicContact CD1-CG 4.09Å; I264-L270 HydrophobicContact CG1-CD1 4.36Å; I264-L270 HydrophobicContact CG1-CD2 4.2Å; I264-L270 HydrophobicContact CG1-CG 4.33Å; I264-L270 HydrophobicContact CG2-CD1 3.94Å; I264-L270 HydrophobicContact CG2-CG 4.02Å
265	N	97.8	Very high	96.1	Very high	33 Å²	33	31 Å²	31	18%	0.176	17%	0.172	C	C	.	.			trans	-119.5	-9.6	-175.1	-71.8	-84.7	0	0	0	113.1	L176 K177 T263 L315	L176-N265 VanDerWaalsContact CA-OD1 3.28Å; L176-N265 WeakPolarHBondContact CA-OD1 3.43Å; L176-N265 HydrophobicContact CD2-CB 4.08Å; K177-N265 PolarHBondContact N-OD1 2.99Å; T263-N265 PolarHBondContact O-N 2.98Å; T263-N265 PolarHBondContact O-ND2 3.23Å; N265-L315 WeakPolarHBondContact O-CD2 3.43Å
266	H	97.9	Very high	96.1	Very high	49 Å²	49	28.2 Å²	28.2	23%	0.227	16%	0.159	C	C	.	.	S	Bend	trans	-152.8	137.7	-172.1	-170.7	-85.8	0	0	0	111.6	S268 Q269 C318	H266-S268 PolarHBondContact CE1-OG 3.04Å; H266-S268 VanDerWaalsContact CE1-OG 3.31Å; H266-S268 WeakPolarHBondContact ND1-CB 3.36Å; H266-S268 PolarHBondContact ND1-N 3.05Å; H266-S268 PolarHBondContact ND1-OG 2.73Å; H266-S268 PolarHBondContact O-N 3.17Å; H266-S268 VanDerWaalsContact O-N 3.13Å; H266-Q269 WeakPolarHBondContact O-CB 3.5Å; H266-Q269 PolarHBondContact O-N 3.42Å; H266-C318 PolarHBondContact NE2-SG 3.31Å
267	P	97.4	Very high	96	Very high	7 Å²	7	28.7 Å²	28.7	5%	0.045	16%	0.162	C	C	.	.	H	α-helix	trans	-56.8	-34.4	-175.1	19.6	-32.7	0	0	0	113.9	Q269 L270 A271 I279 L322 F323	P267-Q269 PolarHBondContact O-N 2.7Å; P267-Q269 VanDerWaalsContact O-N 3.14Å; P267-L270 PolarHBondContact O-N 3.01Å; P267-L270 VanDerWaalsContact O-N 3.08Å; P267-A271 PolarHBondContact O-N 3.07Å; P267-A271 VanDerWaalsContact O-N 3.08Å; P267-I279 HydrophobicContact CB-CG1 4.28Å; P267-I279 HydrophobicContact CB-CG2 4.3Å; P267-L322 HydrophobicContact CB-CB 4.12Å; P267-L322 HydrophobicContact CG-CB 3.85Å; P267-L322 HydrophobicContact CG-CD1 4.21Å; P267-F323 HydrophobicContact CG-CD1 4.31Å; P267-F323 HydrophobicContact CG-CE1 3.73Å; P267-F323 HydrophobicContact CG-CZ 4.26Å
268	S	96	Very high	96	Very high	67 Å²	67	28.7 Å²	28.7	47%	0.469	16%	0.162	S	C	.	.	H	α-helix	trans	-62.1	-20.8	179.2	74.3	0	0	0	0	114.7	H266 L270	H266-S268 PolarHBondContact CE1-OG 3.04Å; H266-S268 VanDerWaalsContact CE1-OG 3.31Å; H266-S268 WeakPolarHBondContact ND1-CB 3.36Å; H266-S268 PolarHBondContact ND1-N 3.05Å; H266-S268 PolarHBondContact ND1-OG 2.73Å; H266-S268 PolarHBondContact O-N 3.17Å; H266-S268 VanDerWaalsContact O-N 3.13Å; S268-L270 VanDerWaalsContact C-N 3.31Å
269	Q	96	Very high	96.1	Very high	49 Å²	49	29 Å²	29	23%	0.229	16%	0.164	C	C	.	.	H	α-helix	trans	-63.7	-37.9	174.1	-73.3	176.2	-92.4	0	0	111.3	S211 T263 I264 H266 P267	S211-Q269 WeakPolarHBondContact CA-O 3.45Å; S211-Q269 WeakPolarHBondContact CB-O 3.43Å; T263-Q269 PolarHBondContact O-NE2 3.4Å; I264-Q269 HydrophobicContact CD1-CB 4.05Å; H266-Q269 WeakPolarHBondContact O-CB 3.5Å; H266-Q269 PolarHBondContact O-N 3.42Å; P267-Q269 PolarHBondContact O-N 2.7Å; P267-Q269 VanDerWaalsContact O-N 3.14Å
270	L	95.7	Very high	96.1	Very high	2 Å²	2	29 Å²	29	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-96.6	-15.8	179.9	-62.7	-177.1	0	0	0	113.6	V170 L210 I264 P267 S268 K272 T273 P277 I279	V170-L270 HydrophobicContact CB-CD1 4.38Å; V170-L270 HydrophobicContact CG1-CD1 4.09Å; V170-L270 HydrophobicContact CG2-CD1 3.88Å; L210-L270 HydrophobicContact CB-CD2 3.87Å; I264-L270 HydrophobicContact CD1-CD2 3.73Å; I264-L270 HydrophobicContact CD1-CG 4.09Å; I264-L270 HydrophobicContact CG1-CD1 4.36Å; I264-L270 HydrophobicContact CG1-CD2 4.2Å; I264-L270 HydrophobicContact CG1-CG 4.33Å; I264-L270 HydrophobicContact CG2-CD1 3.94Å; I264-L270 HydrophobicContact CG2-CG 4.02Å; P267-L270 PolarHBondContact O-N 3.01Å; P267-L270 VanDerWaalsContact O-N 3.08Å; S268-L270 VanDerWaalsContact C-N 3.31Å; L270-K272 PolarHBondContact O-N 3.22Å; L270-T273 HydrophobicContact CD2-CG2 4.08Å; L270-T273 WeakPolarHBondContact O-CB 3.28Å; L270-T273 WeakPolarHBondContact O-CG2 3.24Å; L270-T273 PolarHBondContact O-N 2.98Å; L270-T273 PolarHBondContact O-OG1 2.94Å; L270-P277 HydrophobicContact CB-CG 3.98Å; L270-P277 HydrophobicContact CD1-CB 4.41Å; L270-P277 HydrophobicContact CD1-CG 3.88Å; L270-I279 HydrophobicContact CD1-CD1 4.41Å
271	A	92.9	Very high	96.1	Very high	57 Å²	57	27 Å²	27	47%	0.471	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.5	-177.2	0	0	0	0	0	115.3	P267	P267-A271 PolarHBondContact O-N 3.07Å; P267-A271 VanDerWaalsContact O-N 3.08Å
272	K	89.5	Confident	96.2	Very high	142 Å²	142	27.5 Å²	27.5	62%	0.617	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	2.4	176.5	-67	-176.9	-177.6	175.3	0	114.2	R215 L270	R215-K272 VanDerWaalsContact CG-O 3.32Å; R215-K272 WeakPolarHBondContact CG-O 3.32Å; R215-K272 PolarHBondContact N-O 2.94Å; L270-K272 PolarHBondContact O-N 3.22Å
273	T	92.5	Very high	96.3	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	15%	0.154	C	C	.	.	S	Bend	trans	-91.2	161.3	175.5	76.8	0	0	0	0	111	L210 A213 L270 L275	L210-T273 WeakPolarHBondContact O-CG2 3.27Å; A213-T273 HydrophobicContact CB-CG2 4.13Å; A213-T273 WeakPolarHBondContact O-CA 3.44Å; A213-T273 WeakPolarHBondContact O-CG2 3.32Å; L270-T273 HydrophobicContact CD2-CG2 4.08Å; L270-T273 WeakPolarHBondContact O-CB 3.28Å; L270-T273 WeakPolarHBondContact O-CG2 3.24Å; L270-T273 PolarHBondContact O-N 2.98Å; L270-T273 PolarHBondContact O-OG1 2.94Å; T273-L275 PolarHBondContact O-N 3.36Å; T273-L275 PolarHBondContact OG1-N 2.96Å
274	A	92.5	Very high	96.4	Very high	17 Å²	17	27.2 Å²	27.2	14%	0.14	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	3.2	172.4	0	0	0	0	0	113.4	V163 P164 F248 A276	V163-A274 WeakPolarHBondContact CA-O 3.31Å; P164-A274 WeakPolarHBondContact CD-O 3.39Å; F248-A274 HydrophobicContact CZ-CB 4.43Å; A274-A276 VanDerWaalsContact C-N 3.35Å; A274-A276 PolarHBondContact O-N 3.36Å
275	L	96.2	Very high	96.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-25.8	-175.3	-63.9	176.7	0	0	0	113.2	P164 P168 L210 V244 I247 F248 T273 P277	P164-L275 WeakPolarHBondContact CD-O 3.26Å; P164-L275 HydrophobicContact CG-CD2 4.2Å; P168-L275 WeakPolarHBondContact CD-O 3.37Å; P168-L275 HydrophobicContact CG-CB 4.3Å; L210-L275 HydrophobicContact CD1-CD1 3.96Å; V244-L275 HydrophobicContact CG1-CD2 4.17Å; V244-L275 HydrophobicContact CG2-CD2 4.48Å; I247-L275 HydrophobicContact CB-CD2 4.23Å; I247-L275 HydrophobicContact CD1-CD1 4.22Å; I247-L275 HydrophobicContact CD1-CD2 4.3Å; I247-L275 HydrophobicContact CG2-CD2 3.88Å; F248-L275 HydrophobicContact CD2-CD2 4.41Å; F248-L275 HydrophobicContact CE2-CD2 4.2Å; T273-L275 PolarHBondContact O-N 3.36Å; T273-L275 PolarHBondContact OG1-N 2.96Å; L275-P277 VanDerWaalsContact C-N 3.32Å
276	A	96.5	Very high	96.3	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.025	18%	0.181	C	C	.	.			trans	40.4	53.1	-177.1	0	0	0	0	0	113.9	F44 V163 R167 A274	F44-A276 HydrophobicContact CE1-CB 3.68Å; F44-A276 HydrophobicContact CZ-CB 3.95Å; V163-A276 HydrophobicContact CB-CB 4.16Å; V163-A276 HydrophobicContact CG1-CB 3.65Å; R167-A276 WeakPolarHBondContact CG-O 3.5Å; R167-A276 PolarHBondContact NE-O 3.08Å; A274-A276 VanDerWaalsContact C-N 3.35Å; A274-A276 PolarHBondContact O-N 3.36Å
277	P	97.9	Very high	96.3	Very high	11 Å²	11	33.2 Å²	33.2	7%	0.071	20%	0.197	C	C	.	.			trans	-61.6	159	-172.2	29.8	-39.7	0	0	0	112.9	R167 P168 V170 L270 L275 I279	R167-P277 PolarHBondContact NH2-O 3.01Å; P168-P277 HydrophobicContact CG-CB 4.19Å; P168-P277 CarbonylContact O-C 3.49Å; P168-P277 WeakPolarHBondContact O-CA 3.17Å; P168-P277 WeakPolarHBondContact O-CB 3.1Å; V170-P277 HydrophobicContact CB-CB 4.44Å; V170-P277 HydrophobicContact CG2-CB 3.71Å; L270-P277 HydrophobicContact CB-CG 3.98Å; L270-P277 HydrophobicContact CD1-CB 4.41Å; L270-P277 HydrophobicContact CD1-CG 3.88Å; L275-P277 VanDerWaalsContact C-N 3.32Å; P277-I279 HydrophobicContact CB-CD1 3.97Å; P277-I279 HydrophobicContact CG-CD1 3.48Å; P277-I279 VanDerWaalsContact CG-CD1 3.48Å; P277-I279 HydrophobicContact CG-CG1 4.19Å
278	L	98.6	Very high	96.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	107.4	160.4	-71.1	165	0	0	0	107.8	R167 P168 V169 V170 D324 F342 L343 Y346	R167-L278 HydrophobicContact CB-CD1 4.16Å; R167-L278 HydrophobicContact CB-CG 3.83Å; R167-L278 VanDerWaalsContact CZ-CD2 3.44Å; R167-L278 VanDerWaalsContact NH1-CD2 3.26Å; P168-L278 PolarHBondContact O-N 3.39Å; V169-L278 WeakPolarHBondContact CA-O 3.31Å; V169-L278 HydrophobicContact CG2-CB 4.36Å; V169-L278 HydrophobicContact CG2-CD1 4.13Å; V170-L278 PolarHBondContact N-O 3.2Å; L278-D324 WeakPolarHBondContact CA-OD2 3.38Å; L278-D324 HydrophobicContact CD2-CB 4.02Å; L278-F342 HydrophobicContact CD1-CE1 4.46Å; L278-F342 HydrophobicContact CD2-CE1 3.96Å; L278-F342 HydrophobicContact CD2-CZ 3.92Å; L278-L343 HydrophobicContact CD1-CD2 4.31Å; L278-Y346 HydrophobicContact CD1-CD1 3.59Å; L278-Y346 HydrophobicContact CD1-CD2 4.36Å; L278-Y346 HydrophobicContact CD1-CE1 3.66Å; L278-Y346 HydrophobicContact CD1-CE2 4.43Å; L278-Y346 HydrophobicContact CD1-CG 3.97Å
279	I	98.5	Very high	96.4	Very high	9 Å²	9	39.4 Å²	39.4	5%	0.046	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.2	179.5	-54.1	-63.1	0	0	0	109.7	V170 V172 P267 L270 P277 F323 D324 V325	V170-I279 HydrophobicContact CB-CD1 4.14Å; V172-I279 HydrophobicContact CG1-CG2 4.39Å; V172-I279 HydrophobicContact CG2-CG2 3.65Å; P267-I279 HydrophobicContact CB-CG1 4.28Å; P267-I279 HydrophobicContact CB-CG2 4.3Å; L270-I279 HydrophobicContact CD1-CD1 4.41Å; P277-I279 HydrophobicContact CB-CD1 3.97Å; P277-I279 HydrophobicContact CG-CD1 3.48Å; P277-I279 VanDerWaalsContact CG-CD1 3.48Å; P277-I279 HydrophobicContact CG-CG1 4.19Å; I279-F323 HydrophobicContact CG2-CD1 3.8Å; I279-F323 HydrophobicContact CG2-CE1 4.46Å; I279-D324 PolarHBondContact N-OD2 3.24Å; I279-D324 PolarHBondContact O-N 3.02Å; I279-V325 PolarHBondContact O-N 3.12Å
280	V	98.7	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.4	174.4	-179.2	0	0	0	0	108.6	V169 V170 L171 V172 V325 L327 L339	V169-V280 HydrophobicContact CG1-CG2 3.82Å; V170-V280 PolarHBondContact O-N 2.99Å; L171-V280 WeakPolarHBondContact CA-O 3.49Å; L171-V280 HydrophobicContact CD2-CB 3.64Å; L171-V280 HydrophobicContact CD2-CG1 3.87Å; L171-V280 HydrophobicContact CD2-CG2 4.13Å; V172-V280 PolarHBondContact N-O 3Å; V280-V325 WeakPolarHBondContact CA-O 3.38Å; V280-V325 HydrophobicContact CG1-CB 4.32Å; V280-V325 HydrophobicContact CG2-CB 4.32Å; V280-V325 HydrophobicContact CG2-CG2 4.48Å; V280-L327 HydrophobicContact CG1-CD1 3.69Å; V280-L327 HydrophobicContact CG1-CG 3.99Å; V280-L339 HydrophobicContact CB-CD1 4.49Å; V280-L339 HydrophobicContact CG1-CD1 3.94Å; V280-L339 HydrophobicContact CG1-CD2 4.3Å; V280-L339 HydrophobicContact CG2-CD1 3.67Å
281	F	98.6	Very high	96.6	Very high	9 Å²	9	40.6 Å²	40.6	4%	0.039	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	109	178.2	175.6	-153.6	0	0	0	110.8	V172 K283 L315 F323 V325 I326 L327	V172-F281 HydrophobicContact CG2-CB 4.18Å; V172-F281 HydrophobicContact CG2-CD2 4.45Å; V172-F281 WeakPolarHBondContact O-CA 3.4Å; F281-K283 HydrophobicContact CD1-CB 4.1Å; F281-K283 HydrophobicContact CD2-CB 4.28Å; F281-K283 HydrophobicContact CE1-CB 3.77Å; F281-K283 HydrophobicContact CE1-CD 3.92Å; F281-K283 HydrophobicContact CE1-CG 3.87Å; F281-K283 HydrophobicContact CE2-CB 3.95Å; F281-K283 HydrophobicContact CG-CB 4.34Å; F281-K283 HydrophobicContact CZ-CB 3.68Å; F281-K283 HydrophobicContact CZ-CD 4.37Å; F281-K283 HydrophobicContact CZ-CG 3.82Å; F281-K283 PolarHBondContact O-N 3.28Å; F281-L315 HydrophobicContact CD2-CD1 4.47Å; F281-L315 HydrophobicContact CE2-CB 3.78Å; F281-L315 HydrophobicContact CE2-CD1 3.98Å; F281-L315 HydrophobicContact CE2-CG 4.36Å; F281-L315 HydrophobicContact CZ-CB 3.73Å; F281-F323 HydrophobicContact CB-CB 4.41Å; F281-F323 HydrophobicContact CB-CD1 3.57Å; F281-F323 HydrophobicContact CB-CD2 4.47Å; F281-F323 HydrophobicContact CB-CE1 3.81Å; F281-F323 HydrophobicContact CB-CG 3.91Å; F281-F323 HydrophobicContact CB-CZ 4.37Å; F281-F323 HydrophobicContact CD1-CD1 4.34Å; F281-F323 HydrophobicContact CD1-CD2 4.04Å; F281-F323 HydrophobicContact CD1-CE1 4.04Å; F281-F323 AromaticContact CD1-CE2 3.73Å; F281-F323 HydrophobicContact CD1-CE2 3.73Å; F281-F323 HydrophobicContact CD1-CG 4.33Å; F281-F323 AromaticContact CD1-CZ 3.72Å; F281-F323 HydrophobicContact CD1-CZ 3.72Å; F281-F323 HydrophobicContact CE1-CE2 4.23Å; F281-F323 HydrophobicContact CE1-CZ 4.19Å; F281-F323 HydrophobicContact CG-CD1 4.19Å; F281-F323 AromaticContact CG-CE1 3.95Å; F281-F323 HydrophobicContact CG-CE1 3.95Å; F281-F323 HydrophobicContact CG-CE2 4.46Å; F281-F323 HydrophobicContact CG-CZ 4.09Å; F281-V325 PolarHBondContact N-O 3.42Å; F281-I326 HydrophobicContact CB-CG1 4.44Å; F281-I326 HydrophobicContact CD1-CG1 4.31Å; F281-I326 HydrophobicContact CD1-CG2 4.06Å; F281-L327 PolarHBondContact O-N 3.46Å
282	I	98.5	Very high	96.9	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.062	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	115.8	166.7	-55.7	-179	0	0	0	107.6	L171 V172 G173 P174 M185 Q186 V189 L327	L171-I282 HydrophobicContact CD1-CD1 4.41Å; V172-I282 PolarHBondContact O-N 3.39Å; G173-I282 CarbonylContact C-O 3.54Å; P174-I282 WeakPolarHBondContact CA-O 3.37Å; P174-I282 WeakPolarHBondContact CB-O 3.48Å; P174-I282 HydrophobicContact CG-CG2 4.48Å; M185-I282 HydrophobicContact CE-CG2 3.93Å; Q186-I282 HydrophobicContact CG-CD1 3.91Å; V189-I282 HydrophobicContact CB-CD1 4.45Å; V189-I282 HydrophobicContact CG2-CD1 3.93Å; I282-L327 HydrophobicContact CG1-CD1 4.5Å
283	K	98.1	Very high	97.3	Very high	64 Å²	64	41.9 Å²	41.9	28%	0.278	22%	0.218	S	C	.	.			trans	-121.2	115	-170.3	174.8	-174.4	158.6	-145.1	0	111	F281 S285 I326 L327 D328	F281-K283 HydrophobicContact CD1-CB 4.1Å; F281-K283 HydrophobicContact CD2-CB 4.28Å; F281-K283 HydrophobicContact CE1-CB 3.77Å; F281-K283 HydrophobicContact CE1-CD 3.92Å; F281-K283 HydrophobicContact CE1-CG 3.87Å; F281-K283 HydrophobicContact CE2-CB 3.95Å; F281-K283 HydrophobicContact CG-CB 4.34Å; F281-K283 HydrophobicContact CZ-CB 3.68Å; F281-K283 HydrophobicContact CZ-CD 4.37Å; F281-K283 HydrophobicContact CZ-CG 3.82Å; F281-K283 PolarHBondContact O-N 3.28Å; K283-S285 PolarHBondContact O-N 3.05Å; K283-I326 HydrophobicContact CB-CG2 4.02Å; K283-I326 HydrophobicContact CD-CG2 3.74Å; K283-L327 PolarHBondContact N-O 3.01Å; K283-D328 HydrophobicContact CB-CB 4Å; K283-D328 HydrophobicContact CD-CB 3.91Å; K283-D328 HydrophobicContact CG-CB 4.1Å; K283-D328 IonicContact NZ-OD2 4Å; K283-D328 PolarHBondContact NZ-OD2 2.92Å; K283-D328 WeakPolarHBondContact O-CA 3.44Å
284	I	97.9	Very high	97.5	Very high	37 Å²	37	41.8 Å²	41.8	19%	0.19	22%	0.218	C	C	.	.			trans	-82.6	104.2	166.7	-64.8	168.5	0	0	0	108.4	P174 M185 S286 V289 L290 L293	P174-I284 HydrophobicContact CB-CB 4.28Å; P174-I284 HydrophobicContact CB-CD1 3.67Å; P174-I284 HydrophobicContact CB-CG1 3.68Å; P174-I284 HydrophobicContact CG-CD1 3.65Å; P174-I284 HydrophobicContact CG-CG1 4.09Å; M185-I284 HydrophobicContact CE-CD1 4.19Å; M185-I284 HydrophobicContact CE-CG1 4.2Å; M185-I284 HydrophobicContact SD-CD1 4.06Å; I284-S286 WeakPolarHBondContact CG2-O 3.33Å; I284-S286 PolarHBondContact O-N 3.25Å; I284-V289 HydrophobicContact CG2-CB 3.98Å; I284-V289 HydrophobicContact CG2-CG1 4.04Å; I284-L290 HydrophobicContact CD1-CB 4.16Å; I284-L290 HydrophobicContact CD1-CD1 3.98Å; I284-L290 HydrophobicContact CG2-CB 4.21Å; I284-L293 HydrophobicContact CD1-CD1 3.84Å
285	S	95.8	Very high	97.8	Very high	74 Å²	74	46.1 Å²	46.1	52%	0.517	23%	0.233	S	C	.	.	S	Bend	trans	-59.3	-18.8	-176.5	-73.6	0	0	0	0	115.7	K283	K283-S285 PolarHBondContact O-N 3.05Å
286	S	96.9	Very high	97.9	Very high	49 Å²	49	50.4 Å²	50.4	34%	0.343	26%	0.263	S	S	.	.			trans	-117.2	113.2	176	-172.6	0	0	0	0	112.2	I284 K288 V289 L290	I284-S286 WeakPolarHBondContact CG2-O 3.33Å; I284-S286 PolarHBondContact O-N 3.25Å; S286-K288 PolarHBondContact O-N 2.73Å; S286-K288 VanDerWaalsContact O-N 3.11Å; S286-V289 WeakPolarHBondContact O-CB 3.36Å; S286-V289 PolarHBondContact O-N 3.07Å; S286-L290 PolarHBondContact O-N 3.21Å
287	P	97	Very high	97.9	Very high	85 Å²	85	55.1 Å²	55.1	55%	0.552	28%	0.281	S	S	*	.	H	α-helix	trans	-55.9	-30.2	174	-27.9	35.7	0	0	0	113.4	V289 L290 Q291 M309	P287-V289 VanDerWaalsContact C-N 3.31Å; P287-V289 PolarHBondContact O-N 3.31Å; P287-L290 PolarHBondContact O-N 2.73Å; P287-Q291 WeakPolarHBondContact O-CB 3.34Å; P287-Q291 PolarHBondContact O-N 3.41Å; P287-M309 HydrophobicContact CB-CE 3.74Å; P287-M309 WeakPolarHBondContact O-CE 3.47Å
288	K	97.8	Very high	97.9	Very high	141 Å²	141	56.1 Å²	56.1	61%	0.613	29%	0.292	S	S	*	.	H	α-helix	trans	-67.7	-28.3	174.9	-68.2	179.5	180	175.4	0	112.7	S286 R292	S286-K288 PolarHBondContact O-N 2.73Å; S286-K288 VanDerWaalsContact O-N 3.11Å; K288-R292 VanDerWaalsContact O-CG 3.31Å; K288-R292 WeakPolarHBondContact O-CG 3.26Å; K288-R292 PolarHBondContact O-N 2.81Å
289	V	98.2	Very high	97.8	Very high	62 Å²	62	64.7 Å²	64.7	38%	0.376	33%	0.33	S	S	.	.	H	α-helix	trans	-73.6	-49	174.4	173	0	0	0	0	110	I284 S286 P287 Q291 R292 L293	I284-V289 HydrophobicContact CG2-CB 3.98Å; I284-V289 HydrophobicContact CG2-CG1 4.04Å; S286-V289 WeakPolarHBondContact O-CB 3.36Å; S286-V289 PolarHBondContact O-N 3.07Å; P287-V289 VanDerWaalsContact C-N 3.31Å; P287-V289 PolarHBondContact O-N 3.31Å; V289-Q291 VanDerWaalsContact C-N 3.27Å; V289-Q291 PolarHBondContact O-N 3.45Å; V289-R292 PolarHBondContact O-N 2.76Å; V289-L293 HydrophobicContact CG1-CD1 3.99Å; V289-L293 HydrophobicContact CG1-CG 4.39Å; V289-L293 WeakPolarHBondContact O-CG 3.47Å; V289-L293 PolarHBondContact O-N 2.78Å
290	L	98.1	Very high	97.6	Very high	3 Å²	3	67.6 Å²	67.6	2%	0.016	35%	0.351	C	S	.	.	H	α-helix	trans	-54.9	-44.5	173.1	175	61.4	0	0	0	111.3	V181 I284 S286 P287 R292 L293 V294 M309 A312	V181-L290 HydrophobicContact CG1-CD1 4.08Å; I284-L290 HydrophobicContact CD1-CB 4.16Å; I284-L290 HydrophobicContact CD1-CD1 3.98Å; I284-L290 HydrophobicContact CG2-CB 4.21Å; S286-L290 PolarHBondContact O-N 3.21Å; P287-L290 PolarHBondContact O-N 2.73Å; L290-R292 VanDerWaalsContact C-N 3.28Å; L290-R292 PolarHBondContact O-N 3.39Å; L290-L293 PolarHBondContact O-N 3.45Å; L290-V294 HydrophobicContact CD1-CG2 3.89Å; L290-V294 HydrophobicContact CG-CG2 4.4Å; L290-V294 WeakPolarHBondContact O-CG2 3.2Å; L290-V294 PolarHBondContact O-N 3.31Å; L290-M309 HydrophobicContact CB-CE 4.47Å; L290-M309 HydrophobicContact CB-SD 4.35Å; L290-M309 HydrophobicContact CD2-CE 4.09Å; L290-M309 HydrophobicContact CD2-SD 3.88Å; L290-M309 HydrophobicContact CG-CE 4.42Å; L290-M309 HydrophobicContact CG-SD 3.86Å; L290-A312 HydrophobicContact CD2-CB 3.34Å
291	Q	98.1	Very high	97.6	Very high	73 Å²	73	68.5 Å²	68.5	34%	0.341	36%	0.355	S	S	.	.	H	α-helix	trans	-59.2	-36.4	177.6	-159.8	-160.9	19.2	0	0	113	P287 V289 K295 L305 M309	P287-Q291 WeakPolarHBondContact O-CB 3.34Å; P287-Q291 PolarHBondContact O-N 3.41Å; V289-Q291 VanDerWaalsContact C-N 3.27Å; V289-Q291 PolarHBondContact O-N 3.45Å; Q291-K295 WeakPolarHBondContact O-CB 3.2Å; Q291-K295 VanDerWaalsContact O-CG 3.26Å; Q291-K295 WeakPolarHBondContact O-CG 3.46Å; Q291-K295 PolarHBondContact O-N 2.84Å; Q291-L305 HydrophobicContact CB-CD1 4.5Å; Q291-L305 HydrophobicContact CG-CD1 3.85Å; Q291-L305 HydrophobicContact CG-CD2 3.86Å; Q291-L305 HydrophobicContact CG-CG 4.35Å; Q291-M309 HydrophobicContact CB-SD 4.12Å; Q291-M309 HydrophobicContact CG-SD 4.49Å
292	R	98.1	Very high	97.4	Very high	163 Å²	163	69.9 Å²	69.9	62%	0.615	37%	0.366	S	S	*	.	H	α-helix	trans	-73.7	-40.7	176	-72.2	171.8	-173.8	135.8	-6.9	111.7	K288 V289 L290 K295 S296	K288-R292 VanDerWaalsContact O-CG 3.31Å; K288-R292 WeakPolarHBondContact O-CG 3.26Å; K288-R292 PolarHBondContact O-N 2.81Å; V289-R292 PolarHBondContact O-N 2.76Å; L290-R292 VanDerWaalsContact C-N 3.28Å; L290-R292 PolarHBondContact O-N 3.39Å; R292-K295 PolarHBondContact O-N 3.05Å; R292-S296 PolarHBondContact O-N 3.2Å
293	L	98	Very high	97.4	Very high	64 Å²	64	79.6 Å²	79.6	34%	0.335	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-46.1	176.6	-69.1	169.5	0	0	0	111.7	V181 I284 V289 L290 K295 S296 R297	V181-L293 HydrophobicContact CG1-CB 4.13Å; V181-L293 HydrophobicContact CG2-CB 4.28Å; I284-L293 HydrophobicContact CD1-CD1 3.84Å; V289-L293 HydrophobicContact CG1-CD1 3.99Å; V289-L293 HydrophobicContact CG1-CG 4.39Å; V289-L293 WeakPolarHBondContact O-CG 3.47Å; V289-L293 PolarHBondContact O-N 2.78Å; L290-L293 PolarHBondContact O-N 3.45Å; L293-K295 VanDerWaalsContact C-N 3.27Å; L293-K295 PolarHBondContact O-N 2.91Å; L293-S296 PolarHBondContact O-N 3.48Å; L293-S296 PolarHBondContact O-OG 3.4Å; L293-R297 WeakPolarHBondContact O-CG 3.48Å; L293-R297 PolarHBondContact O-N 3.03Å
294	V	98.3	Very high	97.3	Very high	0 Å²	0	79.7 Å²	79.7	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-62.6	-36.3	176.2	175.8	0	0	0	0	111.4	V181 L290 Q301 L305 Q308	V181-V294 HydrophobicContact CG2-CG2 3.95Å; L290-V294 HydrophobicContact CD1-CG2 3.89Å; L290-V294 HydrophobicContact CG-CG2 4.4Å; L290-V294 WeakPolarHBondContact O-CG2 3.2Å; L290-V294 PolarHBondContact O-N 3.31Å; V294-Q301 HydrophobicContact CG1-CB 4.33Å; V294-L305 HydrophobicContact CB-CD1 3.75Å; V294-L305 HydrophobicContact CG1-CB 4.31Å; V294-L305 HydrophobicContact CG1-CD1 3.69Å; V294-L305 HydrophobicContact CG2-CD1 4.35Å; V294-Q308 VanDerWaalsContact CG2-OE1 3.3Å
295	K	98.1	Very high	97.3	Very high	107 Å²	107	79.1 Å²	79.1	47%	0.465	40%	0.402	S	S	.	.	H	α-helix	trans	-70.2	-35.9	175.5	-75.5	175.2	179.7	179.6	0	113.4	Q291 R292 L293 R297 G298	Q291-K295 WeakPolarHBondContact O-CB 3.2Å; Q291-K295 VanDerWaalsContact O-CG 3.26Å; Q291-K295 WeakPolarHBondContact O-CG 3.46Å; Q291-K295 PolarHBondContact O-N 2.84Å; R292-K295 PolarHBondContact O-N 3.05Å; L293-K295 VanDerWaalsContact C-N 3.27Å; L293-K295 PolarHBondContact O-N 2.91Å; K295-R297 VanDerWaalsContact C-N 3.25Å; K295-R297 PolarHBondContact O-N 3.2Å; K295-G298 PolarHBondContact O-N 3.18Å
296	S	97.7	Very high	97.4	Very high	92 Å²	92	80.1 Å²	80.1	64%	0.643	41%	0.409	S	S	*	.	H	α-helix	trans	-70.4	-20.7	180	68.7	0	0	0	0	113.3	R292 L293 G298	R292-S296 PolarHBondContact O-N 3.2Å; L293-S296 PolarHBondContact O-N 3.48Å; L293-S296 PolarHBondContact O-OG 3.4Å; S296-G298 PolarHBondContact O-N 3.35Å
297	R	97.5	Very high	97.5	Very high	102 Å²	102	81 Å²	81	39%	0.385	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	0.8	168.6	-55.4	-51	-59	-175.3	-1.8	114.3	E180 V181 M184 L293 K295 Q301	E180-R297 HydrophobicContact CB-CG 4.29Å; E180-R297 IonicContact OE2-CZ 2.77Å; E180-R297 IonicContact OE2-NE 2.7Å; E180-R297 PolarHBondContact OE2-NE 2.88Å; E180-R297 IonicContact OE2-NH2 3.62Å; E180-R297 PolarHBondContact OE2-NH2 3.21Å; V181-R297 HydrophobicContact CG2-CG 3.73Å; M184-R297 VanDerWaalsContact SD-CZ 3.56Å; L293-R297 WeakPolarHBondContact O-CG 3.48Å; L293-R297 PolarHBondContact O-N 3.03Å; K295-R297 VanDerWaalsContact C-N 3.25Å; K295-R297 PolarHBondContact O-N 3.2Å; R297-Q301 HydrophobicContact CB-CB 3.76Å; R297-Q301 HydrophobicContact CB-CG 3.49Å; R297-Q301 VanDerWaalsContact CB-CG 3.49Å; R297-Q301 HydrophobicContact CG-CG 4.34Å
298	G	97	Very high	97.5	Very high	31 Å²	31	76.9 Å²	76.9	32%	0.32	39%	0.386	S	S	.	.			trans	87.6	-170.7	173	0	0	0	0	0	115.2	K295 S296 S300 Q301 S302	K295-G298 PolarHBondContact O-N 3.18Å; S296-G298 PolarHBondContact O-N 3.35Å; G298-S300 PolarHBondContact O-N 2.95Å; G298-Q301 PolarHBondContact O-N 2.75Å; G298-S302 VanDerWaalsContact O-CB 3.3Å; G298-S302 WeakPolarHBondContact O-CB 3.31Å; G298-S302 PolarHBondContact O-N 2.86Å; G298-S302 PolarHBondContact O-OG 2.6Å
299	K	96.2	Very high	97.6	Very high	181 Å²	181	72 Å²	72	79%	0.787	37%	0.366	S	S	*	.	H	α-helix	trans	-67.1	-31.8	-166.4	-67.4	-179	-178.6	175.6	0	113.8	R303	K299-R303 WeakPolarHBondContact O-CG 3.29Å; K299-R303 PolarHBondContact O-N 2.85Å
300	S	95.7	Very high	97.6	Very high	70 Å²	70	72.3 Å²	72.3	49%	0.49	37%	0.368	S	S	.	.	H	α-helix	trans	-60	-52.9	177.4	44.2	0	0	0	0	111.5	G298	G298-S300 PolarHBondContact O-N 2.95Å
301	Q	97	Very high	97.6	Very high	20 Å²	20	72.9 Å²	72.9	9%	0.093	37%	0.373	C	S	.	.	H	α-helix	trans	-70.8	-41.2	177.9	-61.5	-57.2	-37.2	0	0	111.6	E180 V294 R297 G298 R303 N304	E180-Q301 HydrophobicContact CB-CG 4.27Å; E180-Q301 HydrophobicContact CG-CG 4.26Å; E180-Q301 WeakPolarHBondContact OE1-CG 3.45Å; E180-Q301 PolarHBondContact OE1-NE2 3.02Å; V294-Q301 HydrophobicContact CG1-CB 4.33Å; R297-Q301 HydrophobicContact CB-CB 3.76Å; R297-Q301 HydrophobicContact CB-CG 3.49Å; R297-Q301 VanDerWaalsContact CB-CG 3.49Å; R297-Q301 HydrophobicContact CG-CG 4.34Å; G298-Q301 PolarHBondContact O-N 2.75Å; Q301-R303 VanDerWaalsContact C-N 3.26Å; Q301-R303 PolarHBondContact O-N 2.84Å; Q301-N304 PolarHBondContact O-N 2.8Å
302	S	96.3	Very high	97.6	Very high	38 Å²	38	70.2 Å²	70.2	27%	0.266	36%	0.363	S	S	.	.	H	α-helix	trans	-58.7	-31.1	-179.7	-63	0	0	0	0	114.3	G298 N304 L305	G298-S302 VanDerWaalsContact O-CB 3.3Å; G298-S302 WeakPolarHBondContact O-CB 3.31Å; G298-S302 PolarHBondContact O-N 2.86Å; G298-S302 PolarHBondContact O-OG 2.6Å; S302-N304 PolarHBondContact O-N 3.36Å; S302-L305 WeakPolarHBondContact O-CB 3.38Å; S302-L305 PolarHBondContact O-N 3.31Å
303	R	97.1	Very high	97.6	Very high	216 Å²	216	67.7 Å²	67.7	82%	0.815	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.8	174.8	-78.5	170.4	178.3	-172.4	-0.5	112.6	K299 Q301	K299-R303 WeakPolarHBondContact O-CG 3.29Å; K299-R303 PolarHBondContact O-N 2.85Å; Q301-R303 VanDerWaalsContact C-N 3.26Å; Q301-R303 PolarHBondContact O-N 2.84Å
304	N	97.2	Very high	97.5	Very high	66 Å²	66	70.6 Å²	70.6	35%	0.353	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	19.4	-179.5	-63.1	-55.4	0	0	0	112.5	Y179 Q301 S302 S306 V307 Q308	Y179-N304 HydrophobicContact CD1-CB 4.24Å; Y179-N304 HydrophobicContact CE1-CB 3.4Å; Y179-N304 VanDerWaalsContact CE1-CB 3.4Å; Q301-N304 PolarHBondContact O-N 2.8Å; S302-N304 PolarHBondContact O-N 3.36Å; N304-S306 PolarHBondContact O-N 2.86Å; N304-V307 HydrophobicContact CB-CG1 3.93Å; N304-V307 WeakPolarHBondContact O-CG1 3.42Å; N304-V307 PolarHBondContact O-N 2.8Å; N304-Q308 WeakPolarHBondContact O-CG 3.37Å; N304-Q308 PolarHBondContact O-N 3.35Å
305	L	97.8	Very high	97.5	Very high	24 Å²	24	70.8 Å²	70.8	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-57.3	-49.1	-178.3	177.8	64.3	0	0	0	112.2	Q291 V294 S302 V307 Q308 M309	Q291-L305 HydrophobicContact CB-CD1 4.5Å; Q291-L305 HydrophobicContact CG-CD1 3.85Å; Q291-L305 HydrophobicContact CG-CD2 3.86Å; Q291-L305 HydrophobicContact CG-CG 4.35Å; V294-L305 HydrophobicContact CB-CD1 3.75Å; V294-L305 HydrophobicContact CG1-CB 4.31Å; V294-L305 HydrophobicContact CG1-CD1 3.69Å; V294-L305 HydrophobicContact CG2-CD1 4.35Å; S302-L305 WeakPolarHBondContact O-CB 3.38Å; S302-L305 PolarHBondContact O-N 3.31Å; L305-V307 PolarHBondContact O-N 2.89Å; L305-Q308 PolarHBondContact O-N 2.99Å; L305-M309 HydrophobicContact CD1-CG 3.96Å; L305-M309 HydrophobicContact CD1-SD 4.1Å; L305-M309 HydrophobicContact CG-CG 4.23Å; L305-M309 VanDerWaalsContact O-CG 3.32Å; L305-M309 WeakPolarHBondContact O-CG 3.4Å; L305-M309 PolarHBondContact O-N 3.24Å
306	S	98.1	Very high	97.5	Very high	95 Å²	95	69 Å²	69	66%	0.664	38%	0.375	S	S	*	.	H	α-helix	trans	-61.9	-41.3	-174.9	-52	0	0	0	0	112.9	N304 M309 V310	N304-S306 PolarHBondContact O-N 2.86Å; S306-M309 PolarHBondContact O-N 2.63Å; S306-V310 VanDerWaalsContact O-CG2 3.31Å; S306-V310 WeakPolarHBondContact O-CG2 3.2Å; S306-V310 PolarHBondContact O-N 3.33Å
307	V	98	Very high	97.4	Very high	67 Å²	67	71 Å²	71	41%	0.406	37%	0.374	S	S	.	.	H	α-helix	trans	-70.4	-35.4	179.9	64.4	0	0	0	0	111.9	L176 N304 L305 A311	L176-V307 HydrophobicContact CD1-CG2 3.82Å; N304-V307 HydrophobicContact CB-CG1 3.93Å; N304-V307 WeakPolarHBondContact O-CG1 3.42Å; N304-V307 PolarHBondContact O-N 2.8Å; L305-V307 PolarHBondContact O-N 2.89Å; V307-A311 PolarHBondContact O-N 3.01Å
308	Q	98.2	Very high	97.4	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-47.4	171.4	-75.6	-173.5	65.4	0	0	112	S175 Y179 V294 N304 L305 V310 A311 A312	S175-Q308 VanDerWaalsContact OG-CA 3.3Å; S175-Q308 WeakPolarHBondContact OG-CA 3.47Å; S175-Q308 WeakPolarHBondContact OG-CB 3.36Å; S175-Q308 WeakPolarHBondContact OG-CG 3.49Å; S175-Q308 PolarHBondContact OG-O 2.78Å; Y179-Q308 HydrophobicContact CD1-CG 4.23Å; Y179-Q308 VanDerWaalsContact CD1-NE2 3.3Å; Y179-Q308 HydrophobicContact CD2-CG 3.85Å; Y179-Q308 HydrophobicContact CE1-CG 4.49Å; Y179-Q308 HydrophobicContact CE2-CG 4.12Å; Y179-Q308 HydrophobicContact CG-CG 3.89Å; V294-Q308 VanDerWaalsContact CG2-OE1 3.3Å; N304-Q308 WeakPolarHBondContact O-CG 3.37Å; N304-Q308 PolarHBondContact O-N 3.35Å; L305-Q308 PolarHBondContact O-N 2.99Å; Q308-V310 PolarHBondContact O-N 2.92Å; Q308-A311 PolarHBondContact O-N 2.65Å; Q308-A312 PolarHBondContact O-N 2.68Å; Q308-A312 VanDerWaalsContact O-N 3.1Å
309	M	98.4	Very high	97.4	Very high	39 Å²	39	68.2 Å²	68.2	19%	0.192	36%	0.363	C	S	.	.	H	α-helix	trans	-60.4	-42.9	178	-66.6	-48.8	-52.8	0	0	112.4	P287 L290 Q291 L305 S306 A311 A312 E313	P287-M309 HydrophobicContact CB-CE 3.74Å; P287-M309 WeakPolarHBondContact O-CE 3.47Å; L290-M309 HydrophobicContact CB-CE 4.47Å; L290-M309 HydrophobicContact CB-SD 4.35Å; L290-M309 HydrophobicContact CD2-CE 4.09Å; L290-M309 HydrophobicContact CD2-SD 3.88Å; L290-M309 HydrophobicContact CG-CE 4.42Å; L290-M309 HydrophobicContact CG-SD 3.86Å; Q291-M309 HydrophobicContact CB-SD 4.12Å; Q291-M309 HydrophobicContact CG-SD 4.49Å; L305-M309 HydrophobicContact CD1-CG 3.96Å; L305-M309 HydrophobicContact CD1-SD 4.1Å; L305-M309 HydrophobicContact CG-CG 4.23Å; L305-M309 VanDerWaalsContact O-CG 3.32Å; L305-M309 WeakPolarHBondContact O-CG 3.4Å; L305-M309 PolarHBondContact O-N 3.24Å; S306-M309 PolarHBondContact O-N 2.63Å; M309-A311 VanDerWaalsContact C-N 3.31Å; M309-A311 PolarHBondContact O-N 3.17Å; M309-A312 PolarHBondContact O-N 3.22Å; M309-E313 WeakPolarHBondContact O-CB 3.34Å; M309-E313 PolarHBondContact O-N 3.15Å
310	V	98.1	Very high	97.3	Very high	68 Å²	68	66.6 Å²	66.6	41%	0.412	36%	0.358	S	S	.	.	H	α-helix	trans	-63.8	-34.1	178.6	167.1	0	0	0	0	112.3	S306 Q308 K314	S306-V310 VanDerWaalsContact O-CG2 3.31Å; S306-V310 WeakPolarHBondContact O-CG2 3.2Å; S306-V310 PolarHBondContact O-N 3.33Å; Q308-V310 PolarHBondContact O-N 2.92Å; V310-K314 HydrophobicContact CG1-CD 4.41Å; V310-K314 WeakPolarHBondContact O-CG 3.26Å; V310-K314 PolarHBondContact O-N 3.28Å
311	A	97.9	Very high	97.3	Very high	15 Å²	15	71.6 Å²	71.6	12%	0.124	37%	0.374	C	S	.	.	H	α-helix	trans	-73.8	-41.5	177.1	0	0	0	0	0	112.8	L176 V307 Q308 M309 E313 K314 L315	L176-A311 HydrophobicContact CB-CB 4.49Å; L176-A311 HydrophobicContact CD1-CB 4.21Å; L176-A311 HydrophobicContact CD2-CB 3.45Å; L176-A311 VanDerWaalsContact CD2-CB 3.45Å; L176-A311 HydrophobicContact CG-CB 3.39Å; V307-A311 PolarHBondContact O-N 3.01Å; Q308-A311 PolarHBondContact O-N 2.65Å; M309-A311 VanDerWaalsContact C-N 3.31Å; M309-A311 PolarHBondContact O-N 3.17Å; A311-E313 VanDerWaalsContact C-N 3.29Å; A311-E313 PolarHBondContact O-N 3.42Å; A311-K314 PolarHBondContact O-N 3.3Å; A311-L315 PolarHBondContact O-N 3.08Å
312	A	98.3	Very high	97.2	Very high	16 Å²	16	73.7 Å²	73.7	13%	0.132	39%	0.386	C	S	.	.	H	α-helix	trans	-59.9	-41.1	172.7	0	0	0	0	0	111.5	P174 L290 Q308 M309 L315 A316	P174-A312 WeakPolarHBondContact O-CB 3.41Å; L290-A312 HydrophobicContact CD2-CB 3.34Å; Q308-A312 PolarHBondContact O-N 2.68Å; Q308-A312 VanDerWaalsContact O-N 3.1Å; M309-A312 PolarHBondContact O-N 3.22Å; A312-L315 PolarHBondContact O-N 3.36Å; A312-A316 WeakPolarHBondContact O-CB 3.26Å; A312-A316 PolarHBondContact O-N 3.17Å
313	E	98	Very high	97.3	Very high	111 Å²	111	72.8 Å²	72.8	52%	0.519	38%	0.377	S	S	.	.	H	α-helix	trans	-62.8	-44.7	174.7	-175.9	177.2	-170.4	0	0	112.2	M309 A311 L315 A316 Q317	M309-E313 WeakPolarHBondContact O-CB 3.34Å; M309-E313 PolarHBondContact O-N 3.15Å; A311-E313 VanDerWaalsContact C-N 3.29Å; A311-E313 PolarHBondContact O-N 3.42Å; E313-L315 VanDerWaalsContact C-N 3.32Å; E313-L315 PolarHBondContact O-N 3.46Å; E313-A316 PolarHBondContact O-N 3.02Å; E313-A316 VanDerWaalsContact O-N 3.14Å; E313-Q317 HydrophobicContact CG-CG 4.5Å; E313-Q317 WeakPolarHBondContact O-CG 3.45Å; E313-Q317 PolarHBondContact O-N 3.21Å; E313-Q317 PolarHBondContact OE1-NE2 3.29Å
314	K	97.5	Very high	97.4	Very high	125 Å²	125	65.1 Å²	65.1	54%	0.543	35%	0.352	S	S	.	.	H	α-helix	trans	-59.6	-40	175.4	-76.7	172.7	179.2	-179.5	0	112.9	V310 A311 Q317 C318	V310-K314 HydrophobicContact CG1-CD 4.41Å; V310-K314 WeakPolarHBondContact O-CG 3.26Å; V310-K314 PolarHBondContact O-N 3.28Å; A311-K314 PolarHBondContact O-N 3.3Å; K314-Q317 PolarHBondContact O-N 2.88Å; K314-C318 PolarHBondContact O-N 3.17Å; K314-C318 PolarHBondContact O-SG 2.89Å
315	L	98.1	Very high	97.4	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-65.3	-42.3	173.7	-78	170.5	0	0	0	111.7	V172 N265 F281 A311 A312 E313 Q317 C318 F323	V172-L315 HydrophobicContact CG2-CD2 4.33Å; N265-L315 WeakPolarHBondContact O-CD2 3.43Å; F281-L315 HydrophobicContact CD2-CD1 4.47Å; F281-L315 HydrophobicContact CE2-CB 3.78Å; F281-L315 HydrophobicContact CE2-CD1 3.98Å; F281-L315 HydrophobicContact CE2-CG 4.36Å; F281-L315 HydrophobicContact CZ-CB 3.73Å; A311-L315 PolarHBondContact O-N 3.08Å; A312-L315 PolarHBondContact O-N 3.36Å; E313-L315 VanDerWaalsContact C-N 3.32Å; E313-L315 PolarHBondContact O-N 3.46Å; L315-Q317 VanDerWaalsContact C-N 3.26Å; L315-Q317 PolarHBondContact O-N 3.01Å; L315-C318 VanDerWaalsContact O-CB 3.27Å; L315-C318 WeakPolarHBondContact O-CB 3.46Å; L315-C318 PolarHBondContact O-N 3.38Å; L315-C318 VanDerWaalsContact O-N 3.15Å; L315-F323 HydrophobicContact CD2-CE1 4.28Å; L315-F323 HydrophobicContact CD2-CZ 4.31Å
316	A	96.5	Very high	97.4	Very high	70 Å²	70	63 Å²	63	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-66.8	-24.4	176.9	0	0	0	0	0	113.9	A312 E313 C318	A312-A316 WeakPolarHBondContact O-CB 3.26Å; A312-A316 PolarHBondContact O-N 3.17Å; E313-A316 PolarHBondContact O-N 3.02Å; E313-A316 VanDerWaalsContact O-N 3.14Å; A316-C318 VanDerWaalsContact C-N 3.34Å
317	Q	96.6	Very high	97.5	Very high	134 Å²	134	58.7 Å²	58.7	63%	0.626	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.4	174.3	-70.6	174.6	5.9	0	0	113.7	E313 K314 L315	E313-Q317 HydrophobicContact CG-CG 4.5Å; E313-Q317 WeakPolarHBondContact O-CG 3.45Å; E313-Q317 PolarHBondContact O-N 3.21Å; E313-Q317 PolarHBondContact OE1-NE2 3.29Å; K314-Q317 PolarHBondContact O-N 2.88Å; L315-Q317 VanDerWaalsContact C-N 3.26Å; L315-Q317 PolarHBondContact O-N 3.01Å
318	C	97.1	Very high	97.5	Very high	16 Å²	16	59.1 Å²	59.1	11%	0.108	31%	0.31	C	S	.	.	S	Bend	trans	-70.3	140.8	178.3	-71.4	0	0	0	0	112.1	H266 K314 L315 A316 Q320 L322 F323	H266-C318 PolarHBondContact NE2-SG 3.31Å; K314-C318 PolarHBondContact O-N 3.17Å; K314-C318 PolarHBondContact O-SG 2.89Å; L315-C318 VanDerWaalsContact O-CB 3.27Å; L315-C318 WeakPolarHBondContact O-CB 3.46Å; L315-C318 PolarHBondContact O-N 3.38Å; L315-C318 VanDerWaalsContact O-N 3.15Å; A316-C318 VanDerWaalsContact C-N 3.34Å; C318-Q320 PolarHBondContact O-N 2.98Å; C318-L322 HydrophobicContact CB-CD1 4.36Å; C318-F323 HydrophobicContact CB-CE2 3.59Å; C318-F323 HydrophobicContact CB-CZ 3.54Å
319	P	97	Very high	97.5	Very high	57 Å²	57	62 Å²	62	37%	0.37	32%	0.324	S	S	.	.			trans	-54.3	133.9	163.6	-24.7	34.6	0	0	0	110.9	E321 L322	P319-E321 HydrophobicContact CB-CG 3.71Å; P319-E321 PolarHBondContact O-N 3.37Å; P319-L322 HydrophobicContact CB-CG 4.46Å; P319-L322 WeakPolarHBondContact O-CB 3.44Å; P319-L322 PolarHBondContact O-N 3.25Å
320	Q	95.3	Very high	97.3	Very high	147 Å²	147	66.9 Å²	66.9	69%	0.687	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-61.4	-28.9	-175.9	-66.9	-179.6	-1.5	0	0	112.7	C318 L322 F323 I326	C318-Q320 PolarHBondContact O-N 2.98Å; Q320-L322 PolarHBondContact O-N 3.06Å; Q320-F323 PolarHBondContact O-N 3.36Å; Q320-I326 HydrophobicContact CB-CD1 4.26Å; Q320-I326 HydrophobicContact CG-CD1 4.06Å
321	E	94.7	Very high	97.3	Very high	175 Å²	175	68.7 Å²	68.7	82%	0.818	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-59.4	-9.7	173.5	60.3	177.7	-134.2	0	0	115.5	P319 F323	P319-E321 HydrophobicContact CB-CG 3.71Å; P319-E321 PolarHBondContact O-N 3.37Å; E321-F323 VanDerWaalsContact C-N 3.34Å
322	L	95.8	Very high	97.2	Very high	65 Å²	65	72 Å²	72	34%	0.34	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-85.6	-5.7	173	-61.5	-176.6	0	0	0	113.7	P267 C318 P319 Q320	P267-L322 HydrophobicContact CB-CB 4.12Å; P267-L322 HydrophobicContact CG-CB 3.85Å; P267-L322 HydrophobicContact CG-CD1 4.21Å; C318-L322 HydrophobicContact CB-CD1 4.36Å; P319-L322 HydrophobicContact CB-CG 4.46Å; P319-L322 WeakPolarHBondContact O-CB 3.44Å; P319-L322 PolarHBondContact O-N 3.25Å; Q320-L322 PolarHBondContact O-N 3.06Å
323	F	97.9	Very high	97.2	Very high	19 Å²	19	76.8 Å²	76.8	8%	0.083	39%	0.393	C	S	.	.			trans	-118.7	137	180	-49.4	-67.8	0	0	0	109.4	V172 P267 I279 F281 L315 C318 Q320 E321 I326	V172-F323 HydrophobicContact CG2-CD1 4.39Å; V172-F323 HydrophobicContact CG2-CE1 4.08Å; P267-F323 HydrophobicContact CG-CD1 4.31Å; P267-F323 HydrophobicContact CG-CE1 3.73Å; P267-F323 HydrophobicContact CG-CZ 4.26Å; I279-F323 HydrophobicContact CG2-CD1 3.8Å; I279-F323 HydrophobicContact CG2-CE1 4.46Å; F281-F323 HydrophobicContact CB-CB 4.41Å; F281-F323 HydrophobicContact CB-CD1 3.57Å; F281-F323 HydrophobicContact CB-CD2 4.47Å; F281-F323 HydrophobicContact CB-CE1 3.81Å; F281-F323 HydrophobicContact CB-CG 3.91Å; F281-F323 HydrophobicContact CB-CZ 4.37Å; F281-F323 HydrophobicContact CD1-CD1 4.34Å; F281-F323 HydrophobicContact CD1-CD2 4.04Å; F281-F323 HydrophobicContact CD1-CE1 4.04Å; F281-F323 AromaticContact CD1-CE2 3.73Å; F281-F323 HydrophobicContact CD1-CE2 3.73Å; F281-F323 HydrophobicContact CD1-CG 4.33Å; F281-F323 AromaticContact CD1-CZ 3.72Å; F281-F323 HydrophobicContact CD1-CZ 3.72Å; F281-F323 HydrophobicContact CE1-CE2 4.23Å; F281-F323 HydrophobicContact CE1-CZ 4.19Å; F281-F323 HydrophobicContact CG-CD1 4.19Å; F281-F323 AromaticContact CG-CE1 3.95Å; F281-F323 HydrophobicContact CG-CE1 3.95Å; F281-F323 HydrophobicContact CG-CE2 4.46Å; F281-F323 HydrophobicContact CG-CZ 4.09Å; L315-F323 HydrophobicContact CD2-CE1 4.28Å; L315-F323 HydrophobicContact CD2-CZ 4.31Å; C318-F323 HydrophobicContact CB-CE2 3.59Å; C318-F323 HydrophobicContact CB-CZ 3.54Å; Q320-F323 PolarHBondContact O-N 3.36Å; E321-F323 VanDerWaalsContact C-N 3.34Å; F323-I326 HydrophobicContact CB-CD1 4.47Å; F323-I326 HydrophobicContact CB-CG1 3.93Å; F323-I326 HydrophobicContact CD2-CD1 4.03Å; F323-I326 HydrophobicContact CD2-CG1 4.19Å; F323-I326 HydrophobicContact CG-CG1 4.31Å
324	D	98.2	Very high	97.2	Very high	55 Å²	55	75.8 Å²	75.8	29%	0.294	39%	0.391	S	S	.	.	S	Bend	trans	-82.9	-30.9	173	-65	-99.1	0	0	0	111.1	R167 L278 I279 F342	R167-D324 IonicContact CZ-OD1 3.61Å; R167-D324 VanDerWaalsContact CZ-OD1 3.22Å; R167-D324 IonicContact NH1-OD1 2.73Å; R167-D324 PolarHBondContact NH1-OD1 3.48Å; R167-D324 IonicContact NH2-OD1 3.48Å; R167-D324 PolarHBondContact NH2-OD1 3.15Å; R167-D324 IonicContact NH2-OD2 2.92Å; R167-D324 PolarHBondContact NH2-OD2 2.72Å; L278-D324 WeakPolarHBondContact CA-OD2 3.38Å; L278-D324 HydrophobicContact CD2-CB 4.02Å; I279-D324 PolarHBondContact N-OD2 3.24Å; I279-D324 PolarHBondContact O-N 3.02Å; D324-F342 HydrophobicContact CB-CZ 3.97Å
325	V	98.3	Very high	97.3	Very high	6 Å²	6	70.3 Å²	70.3	4%	0.036	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.3	175.4	-172.5	0	0	0	0	109.5	I279 V280 F281 L327 L339 F342	I279-V325 PolarHBondContact O-N 3.12Å; V280-V325 WeakPolarHBondContact CA-O 3.38Å; V280-V325 HydrophobicContact CG1-CB 4.32Å; V280-V325 HydrophobicContact CG2-CB 4.32Å; V280-V325 HydrophobicContact CG2-CG2 4.48Å; F281-V325 PolarHBondContact N-O 3.42Å; V325-L327 HydrophobicContact CG1-CD2 3.63Å; V325-L327 HydrophobicContact CG1-CG 4.18Å; V325-L339 HydrophobicContact CG1-CD1 4.45Å; V325-L339 HydrophobicContact CG2-CD1 4.38Å; V325-F342 HydrophobicContact CG2-CB 4.01Å; V325-F342 HydrophobicContact CG2-CD1 3.3Å; V325-F342 HydrophobicContact CG2-CD2 3.5Å; V325-F342 VanDerWaalsContact CG2-CD2 3.5Å; V325-F342 HydrophobicContact CG2-CE1 3.52Å; V325-F342 HydrophobicContact CG2-CE2 3.69Å; V325-F342 HydrophobicContact CG2-CG 3.3Å; V325-F342 HydrophobicContact CG2-CZ 3.71Å
326	I	98.5	Very high	97.3	Very high	39 Å²	39	70.2 Å²	70.2	20%	0.2	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.7	169.4	-56.9	176.7	0	0	0	107.1	F281 K283 Q320 F323 H338	F281-I326 HydrophobicContact CB-CG1 4.44Å; F281-I326 HydrophobicContact CD1-CG1 4.31Å; F281-I326 HydrophobicContact CD1-CG2 4.06Å; K283-I326 HydrophobicContact CB-CG2 4.02Å; K283-I326 HydrophobicContact CD-CG2 3.74Å; Q320-I326 HydrophobicContact CB-CD1 4.26Å; Q320-I326 HydrophobicContact CG-CD1 4.06Å; F323-I326 HydrophobicContact CB-CD1 4.47Å; F323-I326 HydrophobicContact CB-CG1 3.93Å; F323-I326 HydrophobicContact CD2-CD1 4.03Å; F323-I326 HydrophobicContact CD2-CG1 4.19Å; F323-I326 HydrophobicContact CG-CG1 4.31Å; I326-H338 PolarHBondContact O-CE1 3.33Å; I326-H338 VanDerWaalsContact O-CE1 3.3Å
327	L	98.5	Very high	97.4	Very high	5 Å²	5	71.2 Å²	71.2	3%	0.026	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	104.4	176.4	-55.2	178.4	0	0	0	107.8	V280 F281 I282 K283 V325 E329 A335 H338 L339	V280-L327 HydrophobicContact CG1-CD1 3.69Å; V280-L327 HydrophobicContact CG1-CG 3.99Å; F281-L327 PolarHBondContact O-N 3.46Å; I282-L327 HydrophobicContact CG1-CD1 4.5Å; K283-L327 PolarHBondContact N-O 3.01Å; V325-L327 HydrophobicContact CG1-CD2 3.63Å; V325-L327 HydrophobicContact CG1-CG 4.18Å; L327-E329 VanDerWaalsContact C-OE2 3.29Å; L327-E329 WeakPolarHBondContact CA-OE2 2.99Å; L327-E329 WeakPolarHBondContact CB-OE2 3.32Å; L327-A335 HydrophobicContact CB-CB 4.35Å; L327-A335 WeakPolarHBondContact CD2-O 3.28Å; L327-H338 HydrophobicContact CD2-CB 4.2Å; L327-L339 HydrophobicContact CD1-CB 4.14Å; L327-L339 HydrophobicContact CD1-CD2 4.17Å; L327-L339 HydrophobicContact CD2-CB 4.17Å
328	D	97.8	Very high	97.5	Very high	75 Å²	75	68.5 Å²	68.5	40%	0.401	35%	0.349	S	S	.	.			trans	-122.1	14.9	178.8	76.6	-2.2	0	0	0	114.8	K283	K283-D328 HydrophobicContact CB-CB 4Å; K283-D328 HydrophobicContact CD-CB 3.91Å; K283-D328 HydrophobicContact CG-CB 4.1Å; K283-D328 IonicContact NZ-OD2 4Å; K283-D328 PolarHBondContact NZ-OD2 2.92Å; K283-D328 WeakPolarHBondContact O-CA 3.44Å
329	E	98.3	Very high	97.5	Very high	62 Å²	62	67.8 Å²	67.8	29%	0.29	34%	0.344	S	S	.	.			trans	-65.1	153.8	168.3	-51.3	74	-163.6	0	0	111.1	L327 D334 A335 H338	L327-E329 VanDerWaalsContact C-OE2 3.29Å; L327-E329 WeakPolarHBondContact CA-OE2 2.99Å; L327-E329 WeakPolarHBondContact CB-OE2 3.32Å; E329-D334 HydrophobicContact CB-CB 3.89Å; E329-D334 HydrophobicContact CG-CB 3.98Å; E329-A335 HydrophobicContact CB-CB 4.16Å; E329-H338 IonicContact OE1-CE1 3.82Å; E329-H338 IonicContact OE1-CG 3.78Å; E329-H338 IonicContact OE1-ND1 3.17Å; E329-H338 PolarHBondContact OE1-ND1 2.91Å
330	N	95.6	Very high	97.6	Very high	140 Å²	140	65 Å²	65	75%	0.749	33%	0.326	S	S	*	.	S	Bend	trans	-103.8	-11.9	-176.2	69.2	31.1	0	0	0	114.4
331	Q	97.4	Very high	97.8	Very high	107 Å²	107	63.2 Å²	63.2	50%	0.5	32%	0.321	S	S	.	.	S	Bend	trans	-97.7	146.8	167.9	-55.2	-50.5	-57.7	0	0	109.7	D333 D334 A335	Q331-D333 VanDerWaalsContact C-N 3.33Å; Q331-D334 HydrophobicContact CB-CB 4.32Å; Q331-D334 WeakPolarHBondContact CB-OD2 3.45Å; Q331-D334 WeakPolarHBondContact CG-OD2 3.21Å; Q331-A335 PolarHBondContact O-N 3.04Å
332	L	96.5	Very high	98	Very high	83 Å²	83	57.9 Å²	57.9	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-42.2	175.4	178.4	63	0	0	0	110.9	A188 V189 A335 C336	A188-L332 HydrophobicContact CB-CD1 3.95Å; A188-L332 HydrophobicContact CB-CD2 4.02Å; V189-L332 HydrophobicContact CG2-CD1 4.19Å; L332-A335 PolarHBondContact O-N 2.82Å; L332-C336 WeakPolarHBondContact O-CB 3.42Å; L332-C336 PolarHBondContact O-N 3.06Å; L332-C336 PolarHBondContact O-SG 3.17Å
333	D	97.7	Very high	98.1	Very high	117 Å²	117	54.8 Å²	54.8	63%	0.626	28%	0.279	S	S	*	.	H	α-helix	trans	-65.7	-44.5	-174.9	-55.5	-46.7	0	0	0	111.6	Q331 A335 C336 E337	Q331-D333 VanDerWaalsContact C-N 3.33Å; D333-A335 PolarHBondContact O-N 2.86Å; D333-C336 PolarHBondContact O-N 3.3Å; D333-E337 PolarHBondContact O-N 3.48Å
334	D	98.4	Very high	98.1	Very high	90 Å²	90	55.5 Å²	55.5	48%	0.481	28%	0.283	S	S	.	.	H	α-helix	trans	-59.4	-46.9	176.3	-61.4	-25.6	0	0	0	112	E329 Q331 C336 E337 H338	E329-D334 HydrophobicContact CB-CB 3.89Å; E329-D334 HydrophobicContact CG-CB 3.98Å; Q331-D334 HydrophobicContact CB-CB 4.32Å; Q331-D334 WeakPolarHBondContact CB-OD2 3.45Å; Q331-D334 WeakPolarHBondContact CG-OD2 3.21Å; D334-C336 VanDerWaalsContact C-N 3.32Å; D334-C336 PolarHBondContact O-N 3.22Å; D334-E337 PolarHBondContact O-N 3.07Å; D334-H338 WeakPolarHBondContact O-CB 3.32Å; D334-H338 PolarHBondContact O-N 3.05Å
335	A	98.5	Very high	98.1	Very high	11 Å²	11	54 Å²	54	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-36.7	177.1	0	0	0	0	0	112.3	L327 E329 Q331 L332 D333 L339	L327-A335 HydrophobicContact CB-CB 4.35Å; L327-A335 WeakPolarHBondContact CD2-O 3.28Å; E329-A335 HydrophobicContact CB-CB 4.16Å; Q331-A335 PolarHBondContact O-N 3.04Å; L332-A335 PolarHBondContact O-N 2.82Å; D333-A335 PolarHBondContact O-N 2.86Å; A335-L339 WeakPolarHBondContact O-CB 3.47Å; A335-L339 PolarHBondContact O-N 3.18Å; A335-L339 VanDerWaalsContact O-N 3.1Å
336	C	98.3	Very high	98.1	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-70	-43.5	178.5	-80.8	0	0	0	0	112.1	F192 L332 D333 D334 L339 A340	F192-C336 HydrophobicContact CD1-CB 3.57Å; F192-C336 HydrophobicContact CD2-CB 3.79Å; F192-C336 HydrophobicContact CE1-CB 3.55Å; F192-C336 WeakPolarHBondContact CE1-O 3.29Å; F192-C336 HydrophobicContact CE2-CB 3.76Å; F192-C336 HydrophobicContact CG-CB 3.69Å; F192-C336 WeakPolarHBondContact CG-SG 3.03Å; F192-C336 HydrophobicContact CZ-CB 3.63Å; L332-C336 WeakPolarHBondContact O-CB 3.42Å; L332-C336 PolarHBondContact O-N 3.06Å; L332-C336 PolarHBondContact O-SG 3.17Å; D333-C336 PolarHBondContact O-N 3.3Å; D334-C336 VanDerWaalsContact C-N 3.32Å; D334-C336 PolarHBondContact O-N 3.22Å; C336-L339 PolarHBondContact O-N 3.11Å; C336-A340 WeakPolarHBondContact O-CB 3.38Å; C336-A340 PolarHBondContact O-N 2.86Å
337	E	98.5	Very high	98	Very high	91 Å²	91	55.4 Å²	55.4	43%	0.425	28%	0.282	S	S	.	.	H	α-helix	trans	-67	-42.4	175.8	-73	-59.7	121.2	0	0	111.8	D333 D334 L339 A340 D341	D333-E337 PolarHBondContact O-N 3.48Å; D334-E337 PolarHBondContact O-N 3.07Å; E337-L339 VanDerWaalsContact C-N 3.33Å; E337-L339 PolarHBondContact O-N 3.05Å; E337-A340 WeakPolarHBondContact O-CB 3.43Å; E337-A340 PolarHBondContact O-N 2.94Å; E337-A340 VanDerWaalsContact O-N 3.1Å; E337-D341 PolarHBondContact O-N 3.14Å
338	H	98.7	Very high	97.9	Very high	78 Å²	78	60.9 Å²	60.9	36%	0.361	30%	0.303	S	S	.	.	H	α-helix	trans	-56.3	-46.4	172.4	176.4	-169.3	0	0	0	111.5	I326 L327 E329 D334 A340 F342	I326-H338 PolarHBondContact O-CE1 3.33Å; I326-H338 VanDerWaalsContact O-CE1 3.3Å; L327-H338 HydrophobicContact CD2-CB 4.2Å; E329-H338 IonicContact OE1-CE1 3.82Å; E329-H338 IonicContact OE1-CG 3.78Å; E329-H338 IonicContact OE1-ND1 3.17Å; E329-H338 PolarHBondContact OE1-ND1 2.91Å; D334-H338 WeakPolarHBondContact O-CB 3.32Å; D334-H338 PolarHBondContact O-N 3.05Å; H338-A340 VanDerWaalsContact C-N 3.35Å; H338-A340 PolarHBondContact O-N 2.81Å; H338-F342 PolarHBondContact O-N 2.7Å; H338-F342 VanDerWaalsContact O-N 3.16Å
339	L	98.6	Very high	97.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.7	-37	176.2	-175.4	57.8	0	0	0	112.5	V189 L193 V280 V325 L327 A335 C336 E337 L343	V189-L339 HydrophobicContact CG1-CD2 3.58Å; L193-L339 HydrophobicContact CD1-CD2 3.91Å; L193-L339 HydrophobicContact CD2-CD2 3.96Å; L193-L339 HydrophobicContact CD2-CG 4.18Å; L193-L339 HydrophobicContact CG-CD2 4.17Å; V280-L339 HydrophobicContact CB-CD1 4.49Å; V280-L339 HydrophobicContact CG1-CD1 3.94Å; V280-L339 HydrophobicContact CG1-CD2 4.3Å; V280-L339 HydrophobicContact CG2-CD1 3.67Å; V325-L339 HydrophobicContact CG1-CD1 4.45Å; V325-L339 HydrophobicContact CG2-CD1 4.38Å; L327-L339 HydrophobicContact CD1-CB 4.14Å; L327-L339 HydrophobicContact CD1-CD2 4.17Å; L327-L339 HydrophobicContact CD2-CB 4.17Å; A335-L339 WeakPolarHBondContact O-CB 3.47Å; A335-L339 PolarHBondContact O-N 3.18Å; A335-L339 VanDerWaalsContact O-N 3.1Å; C336-L339 PolarHBondContact O-N 3.11Å; E337-L339 VanDerWaalsContact C-N 3.33Å; E337-L339 PolarHBondContact O-N 3.05Å; L339-L343 HydrophobicContact CD1-CD1 4.18Å; L339-L343 HydrophobicContact CD1-CG 4.26Å; L339-L343 HydrophobicContact CG-CD1 4.07Å; L339-L343 WeakPolarHBondContact O-CB 3.46Å; L339-L343 VanDerWaalsContact O-CG 3.31Å; L339-L343 WeakPolarHBondContact O-CG 3.32Å; L339-L343 PolarHBondContact O-N 2.94Å
340	A	98.6	Very high	97.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-47.6	177.3	0	0	0	0	0	111.5	F192 R196 F197 C336 E337 H338 F342 L343 E344	F192-A340 HydrophobicContact CE1-CB 4.1Å; F192-A340 HydrophobicContact CZ-CB 4.12Å; R196-A340 HydrophobicContact CG-CB 4.2Å; F197-A340 HydrophobicContact CE2-CB 4.19Å; F197-A340 HydrophobicContact CZ-CB 4.19Å; C336-A340 WeakPolarHBondContact O-CB 3.38Å; C336-A340 PolarHBondContact O-N 2.86Å; E337-A340 WeakPolarHBondContact O-CB 3.43Å; E337-A340 PolarHBondContact O-N 2.94Å; E337-A340 VanDerWaalsContact O-N 3.1Å; H338-A340 VanDerWaalsContact C-N 3.35Å; H338-A340 PolarHBondContact O-N 2.81Å; A340-F342 VanDerWaalsContact C-N 3.34Å; A340-F342 PolarHBondContact O-N 2.67Å; A340-L343 CarbonylContact O-C 3.58Å; A340-L343 PolarHBondContact O-N 3.22Å; A340-L343 VanDerWaalsContact O-N 3.13Å; A340-E344 WeakPolarHBondContact O-CG 3.43Å; A340-E344 PolarHBondContact O-N 3.21Å
341	D	98.5	Very high	97.8	Very high	108 Å²	108	51.2 Å²	51.2	58%	0.578	25%	0.253	S	S	*	.	H	α-helix	trans	-59.5	-43.2	178.1	-90.2	-12.2	0	0	0	112.1	E337 L343 E344 G345	E337-D341 PolarHBondContact O-N 3.14Å; D341-L343 PolarHBondContact O-N 3.3Å; D341-E344 PolarHBondContact O-N 3.43Å; D341-G345 PolarHBondContact O-N 3.33Å
342	F	98.6	Very high	97.3	Very high	63 Å²	63	48.5 Å²	48.5	28%	0.276	24%	0.244	S	C	.	.	H	α-helix	trans	-59.3	-46.9	173.3	176	-90.9	0	0	0	111.8	L278 D324 V325 H338 A340 G345 Y346	L278-F342 HydrophobicContact CD1-CE1 4.46Å; L278-F342 HydrophobicContact CD2-CE1 3.96Å; L278-F342 HydrophobicContact CD2-CZ 3.92Å; D324-F342 HydrophobicContact CB-CZ 3.97Å; V325-F342 HydrophobicContact CG2-CB 4.01Å; V325-F342 HydrophobicContact CG2-CD1 3.3Å; V325-F342 HydrophobicContact CG2-CD2 3.5Å; V325-F342 VanDerWaalsContact CG2-CD2 3.5Å; V325-F342 HydrophobicContact CG2-CE1 3.52Å; V325-F342 HydrophobicContact CG2-CE2 3.69Å; V325-F342 HydrophobicContact CG2-CG 3.3Å; V325-F342 HydrophobicContact CG2-CZ 3.71Å; H338-F342 PolarHBondContact O-N 2.7Å; H338-F342 VanDerWaalsContact O-N 3.16Å; A340-F342 VanDerWaalsContact C-N 3.34Å; A340-F342 PolarHBondContact O-N 2.67Å; F342-G345 PolarHBondContact O-N 3.24Å; F342-Y346 PolarHBondContact O-N 3Å
343	L	98.5	Very high	96.7	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-71	-30.7	-178.8	-69.9	175.8	0	0	0	113	V169 L193 F197 L256 L278 L339 A340 D341 Y346 W347	V169-L343 HydrophobicContact CG2-CD2 3.84Å; L193-L343 HydrophobicContact CD1-CD1 4.45Å; L193-L343 HydrophobicContact CD2-CD1 3.6Å; F197-L343 HydrophobicContact CE1-CB 4.23Å; F197-L343 HydrophobicContact CE2-CB 4.29Å; F197-L343 HydrophobicContact CE2-CD1 4.22Å; F197-L343 HydrophobicContact CZ-CB 3.71Å; F197-L343 HydrophobicContact CZ-CD1 4.47Å; L256-L343 HydrophobicContact CD1-CB 4.41Å; L278-L343 HydrophobicContact CD1-CD2 4.31Å; L339-L343 HydrophobicContact CD1-CD1 4.18Å; L339-L343 HydrophobicContact CD1-CG 4.26Å; L339-L343 HydrophobicContact CG-CD1 4.07Å; L339-L343 WeakPolarHBondContact O-CB 3.46Å; L339-L343 VanDerWaalsContact O-CG 3.31Å; L339-L343 WeakPolarHBondContact O-CG 3.32Å; L339-L343 PolarHBondContact O-N 2.94Å; A340-L343 CarbonylContact O-C 3.58Å; A340-L343 PolarHBondContact O-N 3.22Å; A340-L343 VanDerWaalsContact O-N 3.13Å; D341-L343 PolarHBondContact O-N 3.3Å; L343-Y346 PolarHBondContact O-N 3.41Å; L343-W347 VanDerWaalsContact O-CB 3.3Å; L343-W347 WeakPolarHBondContact O-CB 3.3Å; L343-W347 PolarHBondContact O-N 3.22Å
344	E	98	Very high	95.4	Very high	34 Å²	34	48.4 Å²	48.4	16%	0.159	25%	0.254	C	S	.	.	H	α-helix	trans	-70.9	-32.3	170.1	-65.3	-71.6	-166.3	0	0	111.7	R196 F197 R200 A340 D341 R348	R196-E344 IonicContact CZ-OE1 2.87Å; R196-E344 IonicContact NH1-OE1 3.29Å; R196-E344 PolarHBondContact NH1-OE1 2.78Å; R196-E344 IonicContact NH2-OE1 3.01Å; R196-E344 PolarHBondContact NH2-OE1 3.23Å; F197-E344 HydrophobicContact CE1-CG 3.93Å; F197-E344 HydrophobicContact CZ-CG 4.1Å; R200-E344 IonicContact CZ-OE1 3.85Å; R200-E344 IonicContact CZ-OE2 3.51Å; R200-E344 IonicContact NH1-OE1 2.97Å; R200-E344 IonicContact NH1-OE2 3.82Å; R200-E344 PolarHBondContact NH1-OE2 2.85Å; R200-E344 IonicContact NH2-OE1 3.72Å; R200-E344 PolarHBondContact NH2-OE1 3.48Å; R200-E344 IonicContact NH2-OE2 3.69Å; R200-E344 PolarHBondContact NH2-OE2 2.84Å; A340-E344 WeakPolarHBondContact O-CG 3.43Å; A340-E344 PolarHBondContact O-N 3.21Å; D341-E344 PolarHBondContact O-N 3.43Å; E344-R348 WeakPolarHBondContact O-CG 3.45Å; E344-R348 PolarHBondContact O-N 2.95Å; E344-R348 PolarHBondContact O-NE 3.35Å
345	G	97.7	Very high	93.6	Very high	23 Å²	23	53.2 Å²	53.2	24%	0.237	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-48	167.6	0	0	0	0	0	112	D341 F342 W347 R348 A349	D341-G345 PolarHBondContact O-N 3.33Å; F342-G345 PolarHBondContact O-N 3.24Å; G345-W347 VanDerWaalsContact C-N 3.33Å; G345-W347 PolarHBondContact O-N 3.42Å; G345-R348 PolarHBondContact O-N 2.96Å; G345-A349 WeakPolarHBondContact O-CB 3.39Å; G345-A349 PolarHBondContact O-N 3.24Å
346	Y	98.2	Very high	91.2	Very high	25 Å²	25	57.6 Å²	57.6	10%	0.098	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-37.7	175	-178.1	-115	0	0	0	112.6	V61 M166 R167 L256 L278 F342 L343 A349 T350	V61-Y346 HydrophobicContact CG1-CE2 4.28Å; M166-Y346 HydrophobicContact CE-CE1 3.91Å; R167-Y346 PolarHBondContact N-OH 2.65Å; L256-Y346 HydrophobicContact CD2-CD1 4Å; L256-Y346 HydrophobicContact CD2-CE1 4.41Å; L278-Y346 HydrophobicContact CD1-CD1 3.59Å; L278-Y346 HydrophobicContact CD1-CD2 4.36Å; L278-Y346 HydrophobicContact CD1-CE1 3.66Å; L278-Y346 HydrophobicContact CD1-CE2 4.43Å; L278-Y346 HydrophobicContact CD1-CG 3.97Å; F342-Y346 PolarHBondContact O-N 3Å; L343-Y346 PolarHBondContact O-N 3.41Å; Y346-A349 PolarHBondContact O-N 3.38Å; Y346-T350 HydrophobicContact CD2-CG2 4.31Å; Y346-T350 HydrophobicContact CE1-CG2 4.09Å; Y346-T350 HydrophobicContact CE2-CG2 3.71Å; Y346-T350 PolarHBondContact O-N 3.4Å; Y346-T350 PolarHBondContact O-OG1 2.89Å
347	W	97.6	Very high	88.8	Confident	49 Å²	49	60.6 Å²	60.6	19%	0.186	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-48.9	173.3	-175	-92.2	0	0	0	111.4	M166 R200 L256 L343 G345 A349 T350 H351	M166-W347 HydrophobicContact CE-CE3 4.49Å; R200-W347 HydrophobicContact CB-CH2 3.85Å; R200-W347 HydrophobicContact CB-CZ2 4.49Å; R200-W347 HydrophobicContact CB-CZ3 3.89Å; R200-W347 HydrophobicContact CG-CH2 3.82Å; R200-W347 HydrophobicContact CG-CZ2 4.04Å; R200-W347 HydrophobicContact CG-CZ3 4.33Å; L256-W347 HydrophobicContact CD2-CE3 4.28Å; L256-W347 HydrophobicContact CG-CE3 3.97Å; L256-W347 HydrophobicContact CG-CZ3 4.25Å; L343-W347 VanDerWaalsContact O-CB 3.3Å; L343-W347 WeakPolarHBondContact O-CB 3.3Å; L343-W347 PolarHBondContact O-N 3.22Å; G345-W347 VanDerWaalsContact C-N 3.33Å; G345-W347 PolarHBondContact O-N 3.42Å; W347-A349 VanDerWaalsContact C-N 3.34Å; W347-A349 PolarHBondContact O-N 3.12Å; W347-T350 WeakPolarHBondContact CA-OG1 3.03Å; W347-T350 PolarHBondContact O-N 3.43Å; W347-T350 PolarHBondContact O-OG1 3.24Å; W347-H351 AromaticContact CD2-CE1 3.79Å; W347-H351 AromaticContact CD2-ND1 3.61Å; W347-H351 AromaticContact CE2-CE1 3.77Å; W347-H351 AromaticContact CE2-CG 3.9Å; W347-H351 AromaticContact CE2-ND1 3.62Å; W347-H351 AromaticContact CE3-CE1 3.73Å; W347-H351 AromaticContact CE3-ND1 3.97Å; W347-H351 AromaticContact CG-ND1 3.99Å; W347-H351 AromaticContact CH2-CE1 3.63Å; W347-H351 AromaticContact CH2-NE2 3.75Å; W347-H351 AromaticContact CZ2-CD2 3.99Å; W347-H351 AromaticContact CZ2-CE1 3.7Å; W347-H351 AromaticContact CZ2-ND1 3.99Å; W347-H351 AromaticContact CZ2-NE2 3.72Å; W347-H351 AromaticContact CZ3-CE1 3.66Å; W347-H351 AromaticContact NE1-CG 3.99Å; W347-H351 AromaticContact NE1-ND1 3.99Å; W347-H351 VanDerWaalsContact O-CB 3.29Å; W347-H351 WeakPolarHBondContact O-CB 3.47Å; W347-H351 PolarHBondContact O-N 3.26Å; W347-H351 PolarHBondContact O-ND1 3.42Å
348	R	96.8	Very high	86.3	Confident	121 Å²	121	58.7 Å²	58.7	46%	0.457	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-37.1	175.3	-73	178.4	-73.6	154.6	-15.9	113	E63 E344 G345 T350 H351	E63-R348 HydrophobicContact CG-CB 4.47Å; E63-R348 WeakPolarHBondContact OE1-CD 3.44Å; E63-R348 IonicContact OE1-CZ 3.22Å; E63-R348 IonicContact OE1-NE 3.24Å; E63-R348 IonicContact OE1-NH1 2.68Å; E63-R348 PolarHBondContact OE1-NH1 3.49Å; E63-R348 IonicContact OE2-CZ 2.81Å; E63-R348 IonicContact OE2-NH1 3.63Å; E63-R348 PolarHBondContact OE2-NH1 2.8Å; E344-R348 WeakPolarHBondContact O-CG 3.45Å; E344-R348 PolarHBondContact O-N 2.95Å; E344-R348 PolarHBondContact O-NE 3.35Å; G345-R348 PolarHBondContact O-N 2.96Å; R348-T350 VanDerWaalsContact C-N 3.28Å; R348-T350 PolarHBondContact O-N 2.96Å; R348-H351 CarbonylContact O-C 3.57Å
349	A	97	Very high	83.4	Confident	12 Å²	12	65.4 Å²	65.4	10%	0.099	34%	0.343	C	S	.	.	H	α-helix	trans	-65.6	-28.6	175.5	0	0	0	0	0	113.4	R59 V61 G345 Y346 W347	R59-A349 PolarHBondContact NH1-O 3.39Å; V61-A349 HydrophobicContact CG1-CB 4.42Å; G345-A349 WeakPolarHBondContact O-CB 3.39Å; G345-A349 PolarHBondContact O-N 3.24Å; Y346-A349 PolarHBondContact O-N 3.38Å; W347-A349 VanDerWaalsContact C-N 3.34Å; W347-A349 PolarHBondContact O-N 3.12Å
350	T	96.5	Very high	80.9	Confident	3 Å²	3	70.6 Å²	70.6	2%	0.018	37%	0.37	C	S	.	.	H	α-helix	trans	-93.5	-25.5	178.7	46.5	0	0	0	0	113.6	V61 M166 M254 Y346 W347 R348 P352	V61-T350 HydrophobicContact CG1-CG2 3.52Å; M166-T350 HydrophobicContact CE-CG2 4.19Å; M166-T350 HydrophobicContact SD-CG2 3.65Å; M254-T350 WeakPolarHBondContact CE-O 3.43Å; Y346-T350 HydrophobicContact CD2-CG2 4.31Å; Y346-T350 HydrophobicContact CE1-CG2 4.09Å; Y346-T350 HydrophobicContact CE2-CG2 3.71Å; Y346-T350 PolarHBondContact O-N 3.4Å; Y346-T350 PolarHBondContact O-OG1 2.89Å; W347-T350 WeakPolarHBondContact CA-OG1 3.03Å; W347-T350 PolarHBondContact O-N 3.43Å; W347-T350 PolarHBondContact O-OG1 3.24Å; R348-T350 VanDerWaalsContact C-N 3.28Å; R348-T350 PolarHBondContact O-N 2.96Å; T350-P352 VanDerWaalsContact C-CD 3.49Å; T350-P352 WeakPolarHBondContact O-CD 3.41Å
351	H	94.4	Very high	77.7	Confident	59 Å²	59	82.4 Å²	82.4	27%	0.273	41%	0.414	S	S	.	.	S	Bend	trans	-115.9	73.4	-177.5	-62.8	81	0	0	0	111.6	M254 W347 R348	M254-H351 PolarHBondContact O-CE1 3.11Å; M254-H351 PolarHBondContact O-NE2 3.12Å; W347-H351 AromaticContact CD2-CE1 3.79Å; W347-H351 AromaticContact CD2-ND1 3.61Å; W347-H351 AromaticContact CE2-CE1 3.77Å; W347-H351 AromaticContact CE2-CG 3.9Å; W347-H351 AromaticContact CE2-ND1 3.62Å; W347-H351 AromaticContact CE3-CE1 3.73Å; W347-H351 AromaticContact CE3-ND1 3.97Å; W347-H351 AromaticContact CG-ND1 3.99Å; W347-H351 AromaticContact CH2-CE1 3.63Å; W347-H351 AromaticContact CH2-NE2 3.75Å; W347-H351 AromaticContact CZ2-CD2 3.99Å; W347-H351 AromaticContact CZ2-CE1 3.7Å; W347-H351 AromaticContact CZ2-ND1 3.99Å; W347-H351 AromaticContact CZ2-NE2 3.72Å; W347-H351 AromaticContact CZ3-CE1 3.66Å; W347-H351 AromaticContact NE1-CG 3.99Å; W347-H351 AromaticContact NE1-ND1 3.99Å; W347-H351 VanDerWaalsContact O-CB 3.29Å; W347-H351 WeakPolarHBondContact O-CB 3.47Å; W347-H351 PolarHBondContact O-N 3.26Å; W347-H351 PolarHBondContact O-ND1 3.42Å; R348-H351 CarbonylContact O-C 3.57Å
352	P	88.9	Confident	74.8	Confident	49 Å²	49	84.7 Å²	84.7	32%	0.318	42%	0.415	S	S	.	.			trans	-60.8	138.4	178.5	27.3	-35.9	0	0	0	110.8	T350 V354	T350-P352 VanDerWaalsContact C-CD 3.49Å; T350-P352 WeakPolarHBondContact O-CD 3.41Å; P352-V354 WeakPolarHBondContact O-CG2 3.2Å; P352-V354 PolarHBondContact O-N 2.95Å
353	P	83	Confident	71.7	Confident	127 Å²	127	88.7 Å²	88.7	83%	0.825	44%	0.439	S	S	*	.			trans	-67.5	107.7	-177.7	26.7	-34.3	0	0	0	110.9	K355	P353-K355 PolarHBondContact O-N 2.9Å
354	V	70.5	Confident	68.7	Low	71 Å²	71	97.8 Å²	97.8	43%	0.43	48%	0.479	S	S	.	.			trans	-86	103.9	179.2	-165.1	0	0	0	0	109.5	L8 Y9 P352 S356	L8-V354 HydrophobicContact CB-CG1 4.33Å; Y9-V354 HydrophobicContact CD1-CG1 3.72Å; Y9-V354 HydrophobicContact CE1-CG1 3.25Å; P352-V354 WeakPolarHBondContact O-CG2 3.2Å; P352-V354 PolarHBondContact O-N 2.95Å; V354-S356 PolarHBondContact O-N 3.12Å
355	K	59.9	Low	65.8	Low	191 Å²	191	101.8 Å²	101.8	83%	0.83	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-53	136	167.9	-63.5	-175.3	-177.9	180	0	108.6	Y9 P353	Y9-K355 PolarHBondContact OH-O 3.37Å; Y9-K355 VanDerWaalsContact OH-O 3.04Å; P353-K355 PolarHBondContact O-N 2.9Å
356	S	48.6	Very low	62.8	Low	103 Å²	103	111 Å²	111	72%	0.72	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-49.1	142.7	-157.9	45.7	0	0	0	0	115.4	Y9 V354	Y9-S356 PolarHBondContact OH-O 2.88Å; V354-S356 PolarHBondContact O-N 3.12Å
357	P	47.7	Very low	60.1	Low	65 Å²	65	118.7 Å²	118.7	42%	0.422	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-59.8	141	178	-13	22.8	0	0	0	111.8	Y9 K359	Y9-P357 HydrophobicContact CD1-CB 3.93Å; Y9-P357 HydrophobicContact CD1-CG 3.75Å; Y9-P357 VanDerWaalsContact CE1-CA 3.46Å; Y9-P357 HydrophobicContact CE1-CB 3.57Å; Y9-P357 HydrophobicContact CE1-CG 3.5Å; Y9-P357 WeakPolarHBondContact OH-CA 3.22Å; P357-K359 PolarHBondContact O-N 3.31Å
358	P	45.9	Very low	57.2	Low	50 Å²	50	122.6 Å²	122.6	33%	0.325	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-52.2	131.9	155.5	-20.6	32.9	0	0	0	108.4	W6 I360	W6-P358 HydrophobicContact CH2-CB 3.86Å; W6-P358 HydrophobicContact CH2-CG 3.79Å; W6-P358 HydrophobicContact CZ3-CB 3.98Å; W6-P358 HydrophobicContact CZ3-CG 3.74Å; P358-I360 PolarHBondContact O-N 3.48Å
359	K	38	Very low	54.7	Low	219 Å²	219	123.3 Å²	123.3	95%	0.952	59%	0.591	S	S	*	*	S	Bend	trans	-59.9	95.7	-176	-69.6	179.6	178	178.2	0	110.8	P357	P357-K359 PolarHBondContact O-N 3.31Å
360	I	45.2	Very low	52.4	Low	109 Å²	109	126.4 Å²	126.4	56%	0.559	61%	0.61	S	S	*	*			trans	-132.3	129.5	174.1	-60.2	-174.4	0	0	0	108.4	W6 P358 R362	W6-I360 HydrophobicContact CH2-CD1 3.46Å; W6-I360 VanDerWaalsContact CH2-CD1 3.46Å; W6-I360 HydrophobicContact CZ2-CD1 4.35Å; W6-I360 HydrophobicContact CZ3-CD1 3.61Å; P358-I360 PolarHBondContact O-N 3.48Å; I360-R362 PolarHBondContact O-N 2.84Å
361	R	31.9	Very low	50.3	Low	248 Å²	248	127.6 Å²	127.6	94%	0.936	62%	0.617	S	S	*	*			trans	-61.4	128.3	178.5	-63.1	-177.4	176.8	-156.3	-0.7	109.5
362	R	37.8	Very low	48.3	Very low	157 Å²	157	127.5 Å²	127.5	59%	0.592	62%	0.616	S	S	*	*			trans	-102	115.1	173.9	-64.6	-177.2	-172.7	158.5	5.9	109.2	I360	I360-R362 PolarHBondContact O-N 2.84Å
363	N	34	Very low	46.6	Very low	146 Å²	146	128.2 Å²	128.2	78%	0.781	62%	0.619	S	S	*	*			trans	-68.4	128.4	153.1	-78.8	6	0	0	0	107.1	D365	N363-D365 PolarHBondContact O-N 3.2Å
364	F	34.8	Very low	45.1	Very low	192 Å²	192	127.5 Å²	127.5	84%	0.842	61%	0.608	S	S	*	*			trans	-101.2	68.3	-179.8	-158.3	-85.3	0	0	0	108.6
365	D	37.6	Very low	44.5	Very low	118 Å²	118	126 Å²	126	63%	0.631	60%	0.596	S	S	*	*			trans	-71.3	132.5	176.6	-71.7	-49.3	0	0	0	110.3	N363 Y367	N363-D365 PolarHBondContact O-N 3.2Å; D365-Y367 PolarHBondContact O-N 3.05Å
366	R	35.4	Very low	44.5	Very low	218 Å²	218	120.1 Å²	120.1	82%	0.823	57%	0.571	S	S	*	*			trans	-61.8	120.4	-178.1	-69.1	177.4	179.8	162.5	-1	110.4	D368	R366-D368 VanDerWaalsContact C-N 3.32Å; R366-D368 PolarHBondContact O-N 3.32Å
367	Y	41.4	Very low	45	Very low	185 Å²	185	119.9 Å²	119.9	73%	0.725	56%	0.559	S	S	*	*			trans	-89.1	71.1	164.5	-72.9	-74.7	0	0	0	110.6	D365 F369	D365-Y367 PolarHBondContact O-N 3.05Å; Y367-F369 VanDerWaalsContact C-N 3.26Å; Y367-F369 PolarHBondContact O-N 3.41Å
368	D	36.9	Very low	45.5	Very low	132 Å²	132	118.3 Å²	118.3	71%	0.706	55%	0.546	S	S	*	.			trans	-72.5	83.2	161	-87.4	-49.1	0	0	0	108.9	R366	R366-D368 VanDerWaalsContact C-N 3.32Å; R366-D368 PolarHBondContact O-N 3.32Å
369	F	43.9	Very low	46.2	Very low	136 Å²	136	117.5 Å²	117.5	60%	0.596	54%	0.537	S	S	*	.			trans	-138.4	118.3	168.7	-91.3	-81.1	0	0	0	109.7	Y367 V371	Y367-F369 VanDerWaalsContact C-N 3.26Å; Y367-F369 PolarHBondContact O-N 3.41Å; F369-V371 PolarHBondContact O-N 3.47Å
370	P	48	Very low	47.1	Very low	77 Å²	77	111.6 Å²	111.6	50%	0.5	51%	0.514	S	S	.	.			trans	-58.2	125.4	172.9	-21.9	32.3	0	0	0	109.9	F372 T373	P370-F372 PolarHBondContact O-N 3.19Å; P370-F372 VanDerWaalsContact O-N 3.11Å; P370-T373 WeakPolarHBondContact O-CB 3.42Å; P370-T373 PolarHBondContact O-N 3.22Å
371	V	53.4	Low	47.7	Very low	28 Å²	28	111 Å²	111	17%	0.17	51%	0.508	C	S	.	.	H	α-helix	trans	-54.3	-33.8	178.3	176	0	0	0	0	111	F14 F369 T373 L374 F375	F14-V371 HydrophobicContact CB-CG1 4Å; F369-V371 PolarHBondContact O-N 3.47Å; V371-T373 VanDerWaalsContact C-N 3.32Å; V371-T373 PolarHBondContact O-N 2.93Å; V371-L374 PolarHBondContact O-N 2.77Å; V371-F375 PolarHBondContact O-N 2.91Å
372	F	51.7	Low	48.8	Very low	57 Å²	57	101.4 Å²	101.4	25%	0.25	47%	0.474	C	S	.	.	H	α-helix	trans	-56.5	-40.9	174	-61	-68.2	0	0	0	113.2	F217 E245 F248 P370 Q376	F217-F372 HydrophobicContact CD1-CD1 4.1Å; F217-F372 HydrophobicContact CD1-CE1 4.07Å; F217-F372 AromaticContact CE1-CD1 3.44Å; F217-F372 HydrophobicContact CE1-CD1 3.44Å; F217-F372 VanDerWaalsContact CE1-CD1 3.44Å; F217-F372 AromaticContact CE1-CE1 3.22Å; F217-F372 HydrophobicContact CE1-CE1 3.22Å; F217-F372 HydrophobicContact CE1-CG 4.47Å; F217-F372 HydrophobicContact CE1-CZ 4.12Å; F217-F372 HydrophobicContact CZ-CD1 4.19Å; F217-F372 AromaticContact CZ-CE1 3.5Å; F217-F372 HydrophobicContact CZ-CE1 3.5Å; F217-F372 HydrophobicContact CZ-CZ 4.04Å; E245-F372 HydrophobicContact CB-CE2 4.25Å; E245-F372 HydrophobicContact CG-CE2 3.7Å; E245-F372 HydrophobicContact CG-CZ 3.89Å; F248-F372 HydrophobicContact CD2-CZ 4.42Å; F248-F372 HydrophobicContact CG-CZ 4.33Å; P370-F372 PolarHBondContact O-N 3.19Å; P370-F372 VanDerWaalsContact O-N 3.11Å; F372-Q376 WeakPolarHBondContact O-CB 3.45Å; F372-Q376 PolarHBondContact O-N 2.76Å
373	T	53.2	Low	49.8	Very low	63 Å²	63	96.3 Å²	96.3	39%	0.387	47%	0.466	S	S	.	.	H	α-helix	trans	-65.4	-45.5	-179.1	-52.4	0	0	0	0	111.2	P370 V371 F375 Q377	P370-T373 WeakPolarHBondContact O-CB 3.42Å; P370-T373 PolarHBondContact O-N 3.22Å; V371-T373 VanDerWaalsContact C-N 3.32Å; V371-T373 PolarHBondContact O-N 2.93Å; T373-F375 PolarHBondContact O-N 2.89Å; T373-Q377 WeakPolarHBondContact O-CB 3.12Å; T373-Q377 PolarHBondContact O-N 3.41Å
374	L	52.2	Low	50.7	Low	113 Å²	113	95.5 Å²	95.5	59%	0.592	46%	0.457	S	S	*	.	H	α-helix	trans	-65.7	-42.6	-175.3	-118.6	163.9	0	0	0	112.5	V371 Q378	V371-L374 PolarHBondContact O-N 2.77Å; L374-Q378 WeakPolarHBondContact O-CB 3.41Å; L374-Q378 PolarHBondContact O-N 3.39Å; L374-Q378 VanDerWaalsContact O-N 3.12Å
375	F	58	Low	51.6	Low	40 Å²	40	92.2 Å²	92.2	18%	0.175	44%	0.444	C	S	.	.	H	α-helix	trans	-77.6	-36.6	178	-174.8	-122.3	0	0	0	113.3	I162 V371 T373 Q378 Q379	I162-F375 HydrophobicContact CD1-CB 3.39Å; I162-F375 HydrophobicContact CD1-CD1 3.41Å; I162-F375 VanDerWaalsContact CD1-CD1 3.41Å; I162-F375 HydrophobicContact CD1-CD2 3.67Å; I162-F375 HydrophobicContact CD1-CE1 3.96Å; I162-F375 HydrophobicContact CD1-CE2 4.21Å; I162-F375 HydrophobicContact CD1-CG 3.22Å; I162-F375 HydrophobicContact CD1-CZ 4.34Å; I162-F375 HydrophobicContact CG1-CD1 3.95Å; I162-F375 HydrophobicContact CG1-CD2 4.29Å; I162-F375 HydrophobicContact CG1-CE1 3.98Å; I162-F375 HydrophobicContact CG1-CE2 4.34Å; I162-F375 HydrophobicContact CG1-CG 4.09Å; I162-F375 HydrophobicContact CG1-CZ 4.18Å; V371-F375 PolarHBondContact O-N 2.91Å; T373-F375 PolarHBondContact O-N 2.89Å; F375-Q378 PolarHBondContact O-N 3.22Å; F375-Q379 PolarHBondContact O-N 3.04Å
376	Q	59.6	Low	52.2	Low	67 Å²	67	92.4 Å²	92.4	31%	0.313	44%	0.442	S	S	.	.	H	α-helix	trans	-69.1	-40.2	176.8	-170.9	174.8	100.7	0	0	111.2	F372 Q378 Q379 Q380	F372-Q376 WeakPolarHBondContact O-CB 3.45Å; F372-Q376 PolarHBondContact O-N 2.76Å; Q376-Q378 VanDerWaalsContact C-N 3.32Å; Q376-Q378 PolarHBondContact O-N 3.04Å; Q376-Q379 PolarHBondContact O-N 3.26Å; Q376-Q380 WeakPolarHBondContact O-CB 3.21Å; Q376-Q380 VanDerWaalsContact O-CG 3.3Å; Q376-Q380 WeakPolarHBondContact O-CG 3.28Å; Q376-Q380 PolarHBondContact O-N 3.37Å
377	Q	57.8	Low	52.8	Low	98 Å²	98	89.9 Å²	89.9	46%	0.458	44%	0.439	S	S	.	.	H	α-helix	trans	-63.6	-37.4	172.9	-171.5	176	77.6	0	0	111.2	T373 Q380 Q381	T373-Q377 WeakPolarHBondContact O-CB 3.12Å; T373-Q377 PolarHBondContact O-N 3.41Å; Q377-Q380 PolarHBondContact O-N 3.21Å; Q377-Q381 WeakPolarHBondContact O-CB 3.15Å; Q377-Q381 WeakPolarHBondContact O-CG 3.5Å; Q377-Q381 PolarHBondContact O-N 2.91Å
378	Q	58.4	Low	52.8	Low	32 Å²	32	88.7 Å²	88.7	15%	0.15	44%	0.44	C	S	.	.	H	α-helix	trans	-64.4	-43.7	173.2	-174.4	173.1	47.2	0	0	112.8	L374 F375 Q376 Q382	L374-Q378 WeakPolarHBondContact O-CB 3.41Å; L374-Q378 PolarHBondContact O-N 3.39Å; L374-Q378 VanDerWaalsContact O-N 3.12Å; F375-Q378 PolarHBondContact O-N 3.22Å; Q376-Q378 VanDerWaalsContact C-N 3.32Å; Q376-Q378 PolarHBondContact O-N 3.04Å; Q378-Q382 VanDerWaalsContact O-CG 3.32Å; Q378-Q382 WeakPolarHBondContact O-CG 3.47Å; Q378-Q382 PolarHBondContact O-N 2.91Å; Q378-Q382 VanDerWaalsContact O-N 3.12Å
379	Q	60.6	Low	52.7	Low	32 Å²	32	89 Å²	89	15%	0.15	44%	0.441	C	S	.	.	H	α-helix	trans	-66.4	-35.5	174.2	-80.1	-173.4	72	0	0	112.5	F375 Q376 A383	F375-Q379 PolarHBondContact O-N 3.04Å; Q376-Q379 PolarHBondContact O-N 3.26Å; Q379-A383 WeakPolarHBondContact O-CB 3.42Å; Q379-A383 PolarHBondContact O-N 2.97Å
380	Q	57.3	Low	52.4	Low	96 Å²	96	87.6 Å²	87.6	45%	0.449	45%	0.446	S	S	.	.	H	α-helix	trans	-68.7	-42.6	176.7	-75.1	175.1	9	0	0	112.3	Q376 Q377 A383 Q384	Q376-Q380 WeakPolarHBondContact O-CB 3.21Å; Q376-Q380 VanDerWaalsContact O-CG 3.3Å; Q376-Q380 WeakPolarHBondContact O-CG 3.28Å; Q376-Q380 PolarHBondContact O-N 3.37Å; Q377-Q380 PolarHBondContact O-N 3.21Å; Q380-A383 PolarHBondContact O-N 2.8Å; Q380-Q384 WeakPolarHBondContact O-CG 3.14Å; Q380-Q384 PolarHBondContact O-N 2.74Å
381	Q	58.2	Low	51.7	Low	95 Å²	95	93.5 Å²	93.5	44%	0.444	46%	0.464	S	S	.	.	H	α-helix	trans	-60.2	-46.2	174.3	-75.3	171.7	0.5	0	0	111.1	Q377 A383 Q384 E385	Q377-Q381 WeakPolarHBondContact O-CB 3.15Å; Q377-Q381 WeakPolarHBondContact O-CG 3.5Å; Q377-Q381 PolarHBondContact O-N 2.91Å; Q381-A383 VanDerWaalsContact C-N 3.32Å; Q381-A383 PolarHBondContact O-N 2.71Å; Q381-Q384 PolarHBondContact O-N 3.09Å; Q381-Q384 VanDerWaalsContact O-N 3.12Å; Q381-E385 PolarHBondContact O-N 3.49Å
382	Q	55.5	Low	50.8	Low	48 Å²	48	97.3 Å²	97.3	22%	0.224	49%	0.492	C	S	.	.	H	α-helix	trans	-60.6	-38.7	175.7	-72.9	172.6	-9.7	0	0	112.8	Q378 Q384 Q386	Q378-Q382 VanDerWaalsContact O-CG 3.32Å; Q378-Q382 WeakPolarHBondContact O-CG 3.47Å; Q378-Q382 PolarHBondContact O-N 2.91Å; Q378-Q382 VanDerWaalsContact O-N 3.12Å; Q382-Q384 VanDerWaalsContact C-N 3.31Å; Q382-Q384 PolarHBondContact O-N 3.23Å; Q382-Q386 WeakPolarHBondContact O-CG 3.27Å; Q382-Q386 PolarHBondContact O-N 2.82Å; Q382-Q386 VanDerWaalsContact O-N 3.15Å
383	A	57.1	Low	50	Low	50 Å²	50	106 Å²	106	41%	0.413	52%	0.523	S	S	.	.	H	α-helix	trans	-69.1	-27.4	176.7	0	0	0	0	0	113.4	Q379 Q380 Q381 Q387	Q379-A383 WeakPolarHBondContact O-CB 3.42Å; Q379-A383 PolarHBondContact O-N 2.97Å; Q380-A383 PolarHBondContact O-N 2.8Å; Q381-A383 VanDerWaalsContact C-N 3.32Å; Q381-A383 PolarHBondContact O-N 2.71Å; A383-Q387 WeakPolarHBondContact O-CG 3.3Å
384	Q	53.3	Low	49.1	Very low	128 Å²	128	109.9 Å²	109.9	60%	0.598	55%	0.546	S	S	*	.	H	α-helix	trans	-79.8	-42.8	175	-73.2	177	-15.9	0	0	111.9	Q380 Q381 Q382 Q386 Q387	Q380-Q384 WeakPolarHBondContact O-CG 3.14Å; Q380-Q384 PolarHBondContact O-N 2.74Å; Q381-Q384 PolarHBondContact O-N 3.09Å; Q381-Q384 VanDerWaalsContact O-N 3.12Å; Q382-Q384 VanDerWaalsContact C-N 3.31Å; Q382-Q384 PolarHBondContact O-N 3.23Å; Q384-Q386 VanDerWaalsContact C-N 3.33Å; Q384-Q386 PolarHBondContact O-N 3.25Å; Q384-Q387 PolarHBondContact O-N 2.84Å; Q384-Q387 VanDerWaalsContact O-N 3.12Å
385	E	53.5	Low	48.2	Very low	123 Å²	123	107.4 Å²	107.4	58%	0.575	55%	0.548	S	S	*	.	H	α-helix	trans	-61.9	-38.7	176.7	-71.8	178.5	136.1	0	0	111.9	Q381 Q387 Q388	Q381-E385 PolarHBondContact O-N 3.49Å; E385-Q387 PolarHBondContact O-N 3.31Å; E385-Q388 PolarHBondContact O-N 3.14Å
386	Q	51.2	Low	47.1	Very low	123 Å²	123	110.5 Å²	110.5	58%	0.575	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-17.5	176.2	-72.9	-176.9	8.4	0	0	114.3	Q382 Q384	Q382-Q386 WeakPolarHBondContact O-CG 3.27Å; Q382-Q386 PolarHBondContact O-N 2.82Å; Q382-Q386 VanDerWaalsContact O-N 3.15Å; Q384-Q386 VanDerWaalsContact C-N 3.33Å; Q384-Q386 PolarHBondContact O-N 3.25Å
387	Q	46.9	Very low	45.7	Very low	165 Å²	165	115.1 Å²	115.1	77%	0.771	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-8.5	176.3	-70.4	179.2	20.5	0	0	113.6	A383 Q384 E385	A383-Q387 WeakPolarHBondContact O-CG 3.3Å; Q384-Q387 PolarHBondContact O-N 2.84Å; Q384-Q387 VanDerWaalsContact O-N 3.12Å; E385-Q387 PolarHBondContact O-N 3.31Å
388	Q	42.2	Very low	44.6	Very low	160 Å²	160	117.6 Å²	117.6	75%	0.748	61%	0.608	S	S	*	*			trans	-105	9.5	-176.4	-65.5	-172.5	19.3	0	0	114.4	E385 P390	E385-Q388 PolarHBondContact O-N 3.14Å; Q388-P390 WeakPolarHBondContact O-CD 3.19Å
389	L	33.8	Very low	43.4	Very low	137 Å²	137	123.1 Å²	123.1	72%	0.717	64%	0.638	S	S	*	*			trans	-68.7	121.5	171.3	-74.3	169.9	0	0	0	110.2
390	P	37.7	Very low	42.4	Very low	108 Å²	108	125.8 Å²	125.8	70%	0.701	67%	0.666	S	S	*	*			trans	-70.3	134.8	-175.1	27.5	-33.9	0	0	0	111.6	Q388 S392	Q388-P390 WeakPolarHBondContact O-CD 3.19Å; P390-S392 PolarHBondContact O-N 3.47Å
391	F	33.6	Very low	41.4	Very low	201 Å²	201	129.6 Å²	129.6	88%	0.882	68%	0.684	S	S	*	*			trans	-67.1	91.7	173.6	-103.5	-91	0	0	0	111	R393	F391-R393 PolarHBondContact O-N 3.28Å
392	S	34.9	Very low	40.5	Very low	108 Å²	108	136 Å²	136	76%	0.755	71%	0.705	S	S	*	*			trans	-72.9	88.3	169.5	-57.1	0	0	0	0	110.4	P390 V394	P390-S392 PolarHBondContact O-N 3.47Å; S392-V394 PolarHBondContact O-N 3.43Å
393	R	35.7	Very low	39.6	Very low	238 Å²	238	137.4 Å²	137.4	90%	0.898	73%	0.725	S	S	*	*			trans	-74.2	119.7	170.1	-97.2	-173.9	174	-179.2	-2	110.3	F391	F391-R393 PolarHBondContact O-N 3.28Å
394	V	33.2	Very low	38.9	Very low	146 Å²	146	141 Å²	141	89%	0.885	74%	0.742	S	S	*	*			trans	-113.1	140.1	166.2	178.2	0	0	0	0	107.7	S392	S392-V394 PolarHBondContact O-N 3.43Å
395	G	34.1	Very low	38.3	Very low	61 Å²	61	143.8 Å²	143.8	63%	0.629	76%	0.755	S	S	*	*			trans	112.8	105.9	-176.5	0	0	0	0	0	110.2
396	S	33.8	Very low	37.7	Very low	105 Å²	105	145 Å²	145	73%	0.734	76%	0.764	S	S	*	*				103.1	121.5	51.1	60.4	0	0	0	0	110.5
397	E	31.6	Very low	37.3	Very low	163 Å²	163	144.6 Å²	144.6	76%	0.762	77%	0.77	S	S	*	*			trans	75.2	130.3	157	-63.9	179.5	128.4	0	0	120.6
398	Q	34.2	Very low	37	Very low	151 Å²	151	143.6 Å²	143.6	71%	0.706	77%	0.77	S	S	*	*			trans	77.9	126.1	140.4	-71.4	162	11.7	0	0	121.1
399	D	34	Very low	37.6	Very low	148 Å²	148	145 Å²	145	79%	0.791	79%	0.793	S	S	*	*			trans	53.1	108.6	135.8	-51.2	-29.6	0	0	0	120.1
400	A	38.9	Very low	37.8	Very low	87 Å²	87	145.4 Å²	145.4	72%	0.719	80%	0.797	S	S	*	*				-178.9	128.3	101.5	0	0	0	0	0	113.2
401	Q	36.4	Very low	37.8	Very low	177 Å²	177	147.4 Å²	147.4	83%	0.827	80%	0.802	S	S	*	*			trans	-1.9	129	149.4	-62.4	133.8	-37.4	0	0	118.5
402	Y	38.2	Very low	38	Very low	228 Å²	228	144.4 Å²	144.4	89%	0.894	80%	0.797	S	S	*	*				-161	130.9	100.5	-123.6	-103.5	0	0	0	111.1
403	A	37.3	Very low	38.2	Very low	79 Å²	79	146.5 Å²	146.5	65%	0.653	80%	0.8	S	S	*	*			trans	-68.8	157.2	160.7	0	0	0	0	0	108.3
404	V	41.7	Very low	38.3	Very low	125 Å²	125	140.8 Å²	140.8	76%	0.758	79%	0.794	S	S	*	*				-170.3	140.2	66.9	166	0	0	0	0	103.3
405	E	41.2	Very low	38.7	Very low	187 Å²	187	140.5 Å²	140.5	87%	0.874	79%	0.788	S	S	*	*				-167.6	165	78.8	-156.8	153.2	-152.2	0	0	112.2
406	L	41	Very low	39	Very low	148 Å²	148	146.1 Å²	146.1	78%	0.775	80%	0.799	S	S	*	*			trans	-103.9	143.4	-157.8	-74.8	155.3	0	0	0	113.5
407	V	43.5	Very low	39.4	Very low	114 Å²	114	149.3 Å²	149.3	69%	0.691	80%	0.804	S	S	*	*				59.5	125.5	127.3	179.3	0	0	0	0	116.6
408	N	40.9	Very low	40	Very low	144 Å²	144	148.2 Å²	148.2	77%	0.77	81%	0.808	S	S	*	*			cis	-177.7	179	46.3	-134.6	-4.9	0	0	0	109
409	P	53.3	Low	40.6	Very low	190 Å²	190	147.9 Å²	147.9	100%	1.234	82%	0.817	S	S	*	*			cis	-103.5	0	-46	37	-26.2	0	0	0	112.5

Retrieved 409 of 409 residues in 272.6 ms (Link to these results)

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