G4LUM0_SCHMA Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession G4LUM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 649 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	37.5	Very low	63.9	Low	245 Å²	245	104.8 Å²	104.8	100%	1.207	60%	0.596	S	S	*	*				0	114.9	0	-64.2	174.1	-176.2	0	0	108.5
2	S	39.3	Very low	66	Low	116 Å²	116	108.9 Å²	108.9	81%	0.811	60%	0.602	S	S	*	*			trans	-161.4	84.1	167.6	-172.9	0	0	0	0	107.2
3	L	42.5	Very low	68	Low	148 Å²	148	108.4 Å²	108.4	78%	0.775	59%	0.585	S	S	*	*			trans	-125.3	117.8	-174.5	-71.1	172.3	0	0	0	108.1
4	F	54.5	Low	69.8	Low	195 Å²	195	100.6 Å²	100.6	86%	0.855	54%	0.543	S	S	*	.			trans	53.8	67.7	167.4	-51.8	-74.6	0	0	0	117.3	S6	F4-S6 PolarHBondContact O-N 2.73Å
5	T	61.6	Low	71.2	Confident	130 Å²	130	97.5 Å²	97.5	80%	0.798	53%	0.526	S	S	*	.			trans	-64.5	114.7	151.5	-51.5	0	0	0	0	108.6
6	S	64.8	Low	72.5	Confident	93 Å²	93	97 Å²	97	65%	0.65	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-58.6	143.3	175.7	52.7	0	0	0	0	110.9	F4	F4-S6 PolarHBondContact O-N 2.73Å
7	P	67	Low	73.7	Confident	40 Å²	40	96 Å²	96	26%	0.26	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-59.2	139.9	175.4	23.5	-32.1	0	0	0	110	V11	P7-V11 HydrophobicContact CB-CB 4.07Å; P7-V11 HydrophobicContact CB-CG1 3.74Å
8	P	75.3	Confident	74.6	Confident	66 Å²	66	92.2 Å²	92.2	43%	0.429	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-50	146.3	175.3	-28.4	34.4	0	0	0	111.6	V10 V11 K12	P8-V10 HydrophobicContact CB-CG1 4.41Å; P8-V10 PolarHBondContact O-N 3.4Å; P8-V11 HydrophobicContact CB-CG2 4.26Å; P8-V11 HydrophobicContact CG-CG2 4.26Å; P8-V11 WeakPolarHBondContact O-CA 3.21Å; P8-V11 WeakPolarHBondContact O-CB 3.37Å; P8-V11 PolarHBondContact O-N 3.28Å; P8-K12 PolarHBondContact O-N 3.1Å
9	P	84.9	Confident	75.2	Confident	97 Å²	97	92.5 Å²	92.5	63%	0.63	49%	0.494	S	S	*	.	H	α-helix	trans	-51.2	-40.7	-173.4	-30.6	35.9	0	0	0	114.1	V11 K12 R13	P9-V11 PolarHBondContact O-N 2.68Å; P9-K12 WeakPolarHBondContact O-CB 3.34Å; P9-K12 PolarHBondContact O-N 3.35Å; P9-R13 WeakPolarHBondContact O-CG 3.28Å; P9-R13 PolarHBondContact O-N 3.45Å
10	V	87	Confident	75.2	Confident	21 Å²	21	96.9 Å²	96.9	13%	0.127	51%	0.512	C	S	.	.	H	α-helix	trans	-63.4	-36	175.3	66.7	0	0	0	0	113.7	P8 K12 R13 L14 V37 L46	P8-V10 HydrophobicContact CB-CG1 4.41Å; P8-V10 PolarHBondContact O-N 3.4Å; V10-K12 VanDerWaalsContact C-N 3.33Å; V10-R13 PolarHBondContact O-N 2.98Å; V10-L14 HydrophobicContact CG2-CD1 4.25Å; V10-L14 HydrophobicContact CG2-CG 4.36Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 VanDerWaalsContact O-CG 3.32Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 2.81Å; V10-V37 HydrophobicContact CG1-CG1 4.01Å; V10-L46 HydrophobicContact CG1-CD2 4.13Å; V10-L46 HydrophobicContact CG2-CD1 3.94Å; V10-L46 HydrophobicContact CG2-CD2 3.9Å; V10-L46 HydrophobicContact CG2-CG 3.92Å
11	V	88.5	Confident	74.8	Confident	2 Å²	2	95 Å²	95	1%	0.012	52%	0.516	C	S	.	.	H	α-helix	trans	-64.4	-41.5	173.6	172	0	0	0	0	109.9	P7 P8 P9 L14 I15 V33 K34 V37	P7-V11 HydrophobicContact CB-CB 4.07Å; P7-V11 HydrophobicContact CB-CG1 3.74Å; P8-V11 HydrophobicContact CB-CG2 4.26Å; P8-V11 HydrophobicContact CG-CG2 4.26Å; P8-V11 WeakPolarHBondContact O-CA 3.21Å; P8-V11 WeakPolarHBondContact O-CB 3.37Å; P8-V11 PolarHBondContact O-N 3.28Å; P9-V11 PolarHBondContact O-N 2.68Å; V11-L14 PolarHBondContact O-N 3.21Å; V11-I15 HydrophobicContact CG1-CD1 3.71Å; V11-I15 HydrophobicContact CG1-CG1 4.45Å; V11-I15 WeakPolarHBondContact O-CB 3.41Å; V11-I15 WeakPolarHBondContact O-CD1 3.49Å; V11-I15 WeakPolarHBondContact O-CG1 3.43Å; V11-I15 PolarHBondContact O-N 3.02Å; V11-V33 HydrophobicContact CB-CG1 4.46Å; V11-V33 HydrophobicContact CG1-CG1 4.05Å; V11-K34 HydrophobicContact CG1-CG 3.81Å; V11-K34 HydrophobicContact CG2-CG 4.39Å; V11-V37 HydrophobicContact CG2-CB 3.99Å; V11-V37 HydrophobicContact CG2-CG1 4.07Å; V11-V37 HydrophobicContact CG2-CG2 3.79Å
12	K	89.6	Confident	75.9	Confident	154 Å²	154	83.7 Å²	83.7	67%	0.67	46%	0.46	S	S	*	.	H	α-helix	trans	-62.9	-42.4	176.5	-168.5	179.1	179.6	-177.1	0	111.6	P8 P9 V10 I15 S16	P8-K12 PolarHBondContact O-N 3.1Å; P9-K12 WeakPolarHBondContact O-CB 3.34Å; P9-K12 PolarHBondContact O-N 3.35Å; V10-K12 VanDerWaalsContact C-N 3.33Å; K12-I15 PolarHBondContact O-N 3.02Å; K12-S16 PolarHBondContact O-N 2.9Å; K12-S16 VanDerWaalsContact O-N 3.1Å
13	R	91.3	Very high	76.7	Confident	102 Å²	102	86 Å²	86	39%	0.385	46%	0.464	S	S	.	.	H	α-helix	trans	-64.5	-49	175.7	-64.9	-169.4	-52.1	-110.1	7.9	112.4	P9 V10 I15 S16 Y17 E50	P9-R13 WeakPolarHBondContact O-CG 3.28Å; P9-R13 PolarHBondContact O-N 3.45Å; V10-R13 PolarHBondContact O-N 2.98Å; R13-I15 PolarHBondContact O-N 3.06Å; R13-S16 WeakPolarHBondContact CA-OG 3.48Å; R13-S16 PolarHBondContact O-N 3.3Å; R13-S16 PolarHBondContact O-OG 2.96Å; R13-Y17 WeakPolarHBondContact O-CD2 3.48Å; R13-Y17 WeakPolarHBondContact O-CE2 3.32Å; R13-Y17 PolarHBondContact O-N 3.32Å; R13-E50 WeakPolarHBondContact CD-OE1 3.12Å; R13-E50 IonicContact CZ-OE1 3.39Å; R13-E50 IonicContact CZ-OE2 3.44Å; R13-E50 IonicContact NE-OE1 2.68Å; R13-E50 PolarHBondContact NE-OE1 3.5Å; R13-E50 IonicContact NE-OE2 3.28Å; R13-E50 PolarHBondContact NE-OE2 3.18Å; R13-E50 IonicContact NH2-OE1 3.4Å; R13-E50 PolarHBondContact NH2-OE1 3.18Å; R13-E50 IonicContact NH2-OE2 2.73Å; R13-E50 PolarHBondContact NH2-OE2 3.47Å
14	L	93.1	Very high	77.6	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-61.7	-30.9	177.4	-70.1	178.2	0	0	0	113.3	V10 V11 V33 V37 L46 L49 L53 W90	V10-L14 HydrophobicContact CG2-CD1 4.25Å; V10-L14 HydrophobicContact CG2-CG 4.36Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 VanDerWaalsContact O-CG 3.32Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 2.81Å; V11-L14 PolarHBondContact O-N 3.21Å; L14-V33 HydrophobicContact CB-CG1 3.58Å; L14-V33 HydrophobicContact CD1-CG1 4.06Å; L14-V37 HydrophobicContact CD1-CG2 3.56Å; L14-L46 HydrophobicContact CD1-CD1 3.9Å; L14-L49 HydrophobicContact CD1-CD2 4.27Å; L14-L49 HydrophobicContact CD2-CD2 4.16Å; L14-L49 HydrophobicContact CD2-CG 4.23Å; L14-L53 HydrophobicContact CD2-CD1 3.45Å; L14-L53 VanDerWaalsContact CD2-CD1 3.45Å; L14-W90 HydrophobicContact CB-CZ2 4.45Å; L14-W90 PolarHBondContact O-NE1 3.36Å
15	I	91.7	Very high	78.6	Confident	54 Å²	54	76 Å²	76	28%	0.277	42%	0.415	S	S	.	.	H	α-helix	trans	-70.3	-38.7	172	-71.6	167.2	0	0	0	111.4	V11 K12 R13 Y17 I18 E30 V33	V11-I15 HydrophobicContact CG1-CD1 3.71Å; V11-I15 HydrophobicContact CG1-CG1 4.45Å; V11-I15 WeakPolarHBondContact O-CB 3.41Å; V11-I15 WeakPolarHBondContact O-CD1 3.49Å; V11-I15 WeakPolarHBondContact O-CG1 3.43Å; V11-I15 PolarHBondContact O-N 3.02Å; K12-I15 PolarHBondContact O-N 3.02Å; R13-I15 PolarHBondContact O-N 3.06Å; I15-Y17 PolarHBondContact O-N 3.41Å; I15-I18 HydrophobicContact CB-CD1 4.34Å; I15-I18 HydrophobicContact CG1-CD1 4.24Å; I15-I18 HydrophobicContact CG2-CD1 4.37Å; I15-I18 VanDerWaalsContact O-CB 3.29Å; I15-I18 WeakPolarHBondContact O-CB 3.46Å; I15-I18 WeakPolarHBondContact O-CG1 3.37Å; I15-I18 PolarHBondContact O-N 2.7Å; I15-E30 HydrophobicContact CD1-CB 4.23Å; I15-E30 HydrophobicContact CD1-CG 3.64Å; I15-V33 HydrophobicContact CG1-CB 4.06Å; I15-V33 HydrophobicContact CG1-CG1 4.18Å; I15-V33 HydrophobicContact CG1-CG2 3.94Å
16	S	91.6	Very high	79.5	Confident	89 Å²	89	77.6 Å²	77.6	62%	0.622	41%	0.413	S	S	*	.	H	α-helix	trans	-66.6	-14.9	178.6	56.8	0	0	0	0	115	K12 R13	K12-S16 PolarHBondContact O-N 2.9Å; K12-S16 VanDerWaalsContact O-N 3.1Å; R13-S16 WeakPolarHBondContact CA-OG 3.48Å; R13-S16 PolarHBondContact O-N 3.3Å; R13-S16 PolarHBondContact O-OG 2.96Å
17	Y	92.3	Very high	80.4	Confident	80 Å²	80	79.2 Å²	79.2	31%	0.314	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.4	171.6	-62.9	-63.5	0	0	0	113.9	R13 I15 K19 L53 V54	R13-Y17 WeakPolarHBondContact O-CD2 3.48Å; R13-Y17 WeakPolarHBondContact O-CE2 3.32Å; R13-Y17 PolarHBondContact O-N 3.32Å; I15-Y17 PolarHBondContact O-N 3.41Å; Y17-K19 PolarHBondContact O-N 3.49Å; Y17-L53 HydrophobicContact CD2-CB 4.11Å; Y17-L53 HydrophobicContact CD2-CD1 4.24Å; Y17-L53 HydrophobicContact CG-CB 4.16Å; Y17-V54 HydrophobicContact CE1-CG2 4.27Å; Y17-V54 HydrophobicContact CE2-CG2 4.39Å; Y17-V54 VanDerWaalsContact OH-CG2 3.28Å; Y17-V54 WeakPolarHBondContact OH-CG2 3.43Å
18	I	91.3	Very high	81.3	Confident	28 Å²	28	77.7 Å²	77.7	14%	0.144	40%	0.398	C	S	.	.	S	Bend	trans	-68.1	131.3	-179.8	-65.4	173.9	0	0	0	109.3	I15 K29 V33 L89	I15-I18 HydrophobicContact CB-CD1 4.34Å; I15-I18 HydrophobicContact CG1-CD1 4.24Å; I15-I18 HydrophobicContact CG2-CD1 4.37Å; I15-I18 VanDerWaalsContact O-CB 3.29Å; I15-I18 WeakPolarHBondContact O-CB 3.46Å; I15-I18 WeakPolarHBondContact O-CG1 3.37Å; I15-I18 PolarHBondContact O-N 2.7Å; I18-K29 HydrophobicContact CD1-CB 4.05Å; I18-K29 HydrophobicContact CG2-CD 4.11Å; I18-V33 HydrophobicContact CD1-CG2 3.99Å; I18-L89 WeakPolarHBondContact CA-O 3.27Å; I18-L89 HydrophobicContact CD1-CD2 4.1Å; I18-L89 HydrophobicContact CG1-CD2 4.47Å; I18-L89 HydrophobicContact CG2-CD2 4.31Å; I18-L89 WeakPolarHBondContact CG2-O 3.46Å
19	K	85.7	Confident	81.9	Confident	97 Å²	97	76.4 Å²	76.4	42%	0.422	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-72.3	144	-179.5	-67	-70	-174.7	176	0	111.7	Y17 L89 W90 P93	Y17-K19 PolarHBondContact O-N 3.49Å; K19-L89 PolarHBondContact N-O 3.44Å; K19-W90 WeakPolarHBondContact CG-O 3.21Å; K19-P93 HydrophobicContact CB-CG 3.78Å
20	E	75.5	Confident	82.1	Confident	181 Å²	181	74.7 Å²	74.7	85%	0.846	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	163.4	168.5	-62.9	-173.5	168.6	0	0	111	S22 P93	E20-S22 VanDerWaalsContact C-N 3.27Å; E20-S22 PolarHBondContact O-N 3.01Å; E20-P93 WeakPolarHBondContact O-CG 3.47Å
21	G	66.3	Low	82.3	Confident	58 Å²	58	78.8 Å²	78.8	60%	0.598	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	1.8	-176.1	0	0	0	0	0	115.3	D23 P93	G21-D23 PolarHBondContact O-N 3.24Å; G21-D23 VanDerWaalsContact O-N 3.12Å; G21-P93 VanDerWaalsContact C-CB 3.49Å; G21-P93 WeakPolarHBondContact O-CB 3.14Å
22	S	60.4	Low	82.5	Confident	6 Å²	6	78.8 Å²	78.8	4%	0.042	39%	0.385	C	S	.	.			trans	-79.2	96.7	170.8	-177.6	0	0	0	0	109.6	E20 K24 K29	E20-S22 VanDerWaalsContact C-N 3.27Å; E20-S22 PolarHBondContact O-N 3.01Å; S22-K24 PolarHBondContact O-N 3.35Å; S22-K29 VanDerWaalsContact CB-CE 3.48Å; S22-K29 WeakPolarHBondContact O-CE 3.3Å; S22-K29 PolarHBondContact O-NZ 3.01Å; S22-K29 WeakPolarHBondContact OG-CE 3.37Å
23	D	55.7	Low	82.7	Confident	165 Å²	165	71.4 Å²	71.4	88%	0.882	35%	0.353	S	S	*	.			trans	-57.6	2.3	179.8	-64.1	-27.1	0	0	0	115.4	G21	G21-D23 PolarHBondContact O-N 3.24Å; G21-D23 VanDerWaalsContact O-N 3.12Å
24	K	62.4	Low	82.7	Confident	28 Å²	28	70.2 Å²	70.2	12%	0.122	35%	0.351	C	S	.	.	S	Bend	trans	-79.8	124.3	175.8	-61.6	-175.4	-174.2	178.2	0	109.2	S22 E26 W28 K29 Q88	S22-K24 PolarHBondContact O-N 3.35Å; K24-E26 PolarHBondContact O-N 3.03Å; K24-W28 HydrophobicContact CB-CE3 3.88Å; K24-W28 HydrophobicContact CB-CZ3 4.46Å; K24-W28 HydrophobicContact CD-CD2 4.25Å; K24-W28 HydrophobicContact CD-CE3 3.53Å; K24-W28 HydrophobicContact CD-CH2 3.94Å; K24-W28 HydrophobicContact CD-CZ3 3.35Å; K24-W28 HydrophobicContact CG-CE3 4.32Å; K24-K29 WeakPolarHBondContact O-CE 3.38Å; K24-Q88 VanDerWaalsContact NZ-CD 3.26Å
25	E	73.9	Confident	82.7	Confident	106 Å²	106	71.8 Å²	71.8	50%	0.495	36%	0.362	S	S	.	.			trans	-30	126.4	169.6	-169.8	-170.5	-175.1	0	0	112	K27 W28 K29	E25-K27 HydrophobicContact CG-CB 4.14Å; E25-K27 HydrophobicContact CG-CG 4.21Å; E25-K27 PolarHBondContact O-N 3.49Å; E25-K27 VanDerWaalsContact O-N 3.11Å; E25-K27 WeakPolarHBondContact OE1-CD 3.27Å; E25-K27 IonicContact OE1-NZ 2.87Å; E25-K27 PolarHBondContact OE1-NZ 3.45Å; E25-W28 WeakPolarHBondContact O-CA 3.29Å; E25-W28 VanDerWaalsContact O-CB 3.28Å; E25-W28 WeakPolarHBondContact O-CB 3.46Å; E25-W28 PolarHBondContact O-N 3Å; E25-K29 PolarHBondContact O-N 3.3Å
26	E	80.5	Confident	82.8	Confident	162 Å²	162	69.2 Å²	69.2	76%	0.757	35%	0.349	S	S	*	.	H	α-helix	trans	-51.3	-39.2	-178.2	-170.4	-175.4	179.2	0	0	112.5	K24 W28 K29 E30	K24-E26 PolarHBondContact O-N 3.03Å; E26-W28 PolarHBondContact O-N 3.15Å; E26-K29 WeakPolarHBondContact O-CB 3.34Å; E26-K29 PolarHBondContact O-N 2.86Å; E26-K29 VanDerWaalsContact O-N 3.1Å; E26-E30 PolarHBondContact O-N 2.89Å; E26-E30 VanDerWaalsContact O-N 3.07Å
27	K	84	Confident	82.9	Confident	127 Å²	127	65.4 Å²	65.4	55%	0.552	32%	0.322	S	S	*	.	H	α-helix	trans	-60.4	-28.4	175.1	-49.6	-166.3	-161	108	0	113.4	E25 K31	E25-K27 HydrophobicContact CG-CB 4.14Å; E25-K27 HydrophobicContact CG-CG 4.21Å; E25-K27 PolarHBondContact O-N 3.49Å; E25-K27 VanDerWaalsContact O-N 3.11Å; E25-K27 WeakPolarHBondContact OE1-CD 3.27Å; E25-K27 IonicContact OE1-NZ 2.87Å; E25-K27 PolarHBondContact OE1-NZ 3.45Å; K27-K31 WeakPolarHBondContact O-CB 3.01Å; K27-K31 VanDerWaalsContact O-CD 3.3Å; K27-K31 WeakPolarHBondContact O-CD 3.49Å; K27-K31 WeakPolarHBondContact O-CG 3.38Å; K27-K31 PolarHBondContact O-N 3.09Å
28	W	87.2	Confident	82.8	Confident	8 Å²	8	69.6 Å²	69.6	3%	0.03	34%	0.342	C	S	.	.	H	α-helix	trans	-74.9	-42.2	174.2	-176.9	83.8	0	0	0	111.5	K24 E25 E26 E30 K31 A32 V75 K78 F85 L89	K24-W28 HydrophobicContact CB-CE3 3.88Å; K24-W28 HydrophobicContact CB-CZ3 4.46Å; K24-W28 HydrophobicContact CD-CD2 4.25Å; K24-W28 HydrophobicContact CD-CE3 3.53Å; K24-W28 HydrophobicContact CD-CH2 3.94Å; K24-W28 HydrophobicContact CD-CZ3 3.35Å; K24-W28 HydrophobicContact CG-CE3 4.32Å; E25-W28 WeakPolarHBondContact O-CA 3.29Å; E25-W28 VanDerWaalsContact O-CB 3.28Å; E25-W28 WeakPolarHBondContact O-CB 3.46Å; E25-W28 PolarHBondContact O-N 3Å; E26-W28 PolarHBondContact O-N 3.15Å; W28-E30 PolarHBondContact O-N 2.59Å; W28-K31 PolarHBondContact O-N 2.92Å; W28-A32 HydrophobicContact CH2-CB 4.33Å; W28-A32 HydrophobicContact CZ2-CB 4.47Å; W28-A32 HydrophobicContact CZ3-CB 4.37Å; W28-A32 WeakPolarHBondContact O-CB 3.49Å; W28-A32 PolarHBondContact O-N 2.83Å; W28-V75 HydrophobicContact CZ2-CB 4.25Å; W28-V75 PolarHBondContact NE1-O 3.12Å; W28-K78 HydrophobicContact CD2-CD 4.47Å; W28-K78 HydrophobicContact CG-CD 4.35Å; W28-F85 HydrophobicContact CH2-CB 4.48Å; W28-F85 HydrophobicContact CH2-CD1 4.4Å; W28-F85 HydrophobicContact CH2-CD2 4.2Å; W28-F85 HydrophobicContact CH2-CG 4.13Å; W28-F85 AromaticContact CZ2-CD2 3.91Å; W28-F85 HydrophobicContact CZ2-CD2 3.91Å; W28-F85 HydrophobicContact CZ2-CE1 4.45Å; W28-F85 AromaticContact CZ2-CE2 3.85Å; W28-F85 HydrophobicContact CZ2-CE2 3.85Å; W28-F85 HydrophobicContact CZ2-CG 4.25Å; W28-F85 HydrophobicContact CZ2-CZ 4.1Å; W28-L89 HydrophobicContact CZ3-CD1 4.36Å; W28-L89 HydrophobicContact CZ3-CD2 3.88Å; W28-L89 HydrophobicContact CZ3-CG 4.2Å
29	K	87.5	Confident	82.7	Confident	39 Å²	39	73.9 Å²	73.9	17%	0.17	36%	0.356	C	S	.	.	H	α-helix	trans	-57.1	-50	176.3	-64.2	172.2	175.1	170.7	0	110.8	I18 S22 K24 E25 E26 K31 A32 V33 L89	I18-K29 HydrophobicContact CD1-CB 4.05Å; I18-K29 HydrophobicContact CG2-CD 4.11Å; S22-K29 VanDerWaalsContact CB-CE 3.48Å; S22-K29 WeakPolarHBondContact O-CE 3.3Å; S22-K29 PolarHBondContact O-NZ 3.01Å; S22-K29 WeakPolarHBondContact OG-CE 3.37Å; K24-K29 WeakPolarHBondContact O-CE 3.38Å; E25-K29 PolarHBondContact O-N 3.3Å; E26-K29 WeakPolarHBondContact O-CB 3.34Å; E26-K29 PolarHBondContact O-N 2.86Å; E26-K29 VanDerWaalsContact O-N 3.1Å; K29-K31 PolarHBondContact O-N 2.7Å; K29-A32 WeakPolarHBondContact O-CB 3.26Å; K29-A32 PolarHBondContact O-N 2.75Å; K29-V33 PolarHBondContact O-N 2.62Å; K29-L89 HydrophobicContact CB-CD2 4.22Å; K29-L89 HydrophobicContact CG-CD2 3.9Å
30	E	89.5	Confident	83	Confident	62 Å²	62	69.4 Å²	69.4	29%	0.29	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-43.2	178	-159.6	-156.4	-163.4	0	0	112	I15 E26 W28 A32 V33 K34	I15-E30 HydrophobicContact CD1-CB 4.23Å; I15-E30 HydrophobicContact CD1-CG 3.64Å; E26-E30 PolarHBondContact O-N 2.89Å; E26-E30 VanDerWaalsContact O-N 3.07Å; W28-E30 PolarHBondContact O-N 2.59Å; E30-A32 PolarHBondContact O-N 2.7Å; E30-V33 PolarHBondContact O-N 3.02Å; E30-K34 VanDerWaalsContact CD-CE 3.41Å; E30-K34 HydrophobicContact CG-CD 4.19Å; E30-K34 WeakPolarHBondContact O-CB 3.22Å; E30-K34 VanDerWaalsContact O-CG 3.3Å; E30-K34 WeakPolarHBondContact O-CG 3.37Å; E30-K34 PolarHBondContact O-N 3.04Å; E30-K34 WeakPolarHBondContact OE1-CE 3.37Å; E30-K34 IonicContact OE1-NZ 3.14Å; E30-K34 PolarHBondContact OE1-NZ 2.96Å; E30-K34 IonicContact OE2-NZ 2.75Å; E30-K34 PolarHBondContact OE2-NZ 3.45Å
31	K	90.9	Very high	83.1	Confident	107 Å²	107	67.7 Å²	67.7	47%	0.465	33%	0.326	S	S	.	.	H	α-helix	trans	-64.3	-36.5	175.8	-74.9	170.8	-172.5	174.8	0	112.7	K27 W28 K29 S35 V75 A76	K27-K31 WeakPolarHBondContact O-CB 3.01Å; K27-K31 VanDerWaalsContact O-CD 3.3Å; K27-K31 WeakPolarHBondContact O-CD 3.49Å; K27-K31 WeakPolarHBondContact O-CG 3.38Å; K27-K31 PolarHBondContact O-N 3.09Å; W28-K31 PolarHBondContact O-N 2.92Å; K29-K31 PolarHBondContact O-N 2.7Å; K31-S35 WeakPolarHBondContact O-CB 3.5Å; K31-S35 PolarHBondContact O-N 3.39Å; K31-V75 HydrophobicContact CB-CG1 4.26Å; K31-A76 HydrophobicContact CD-CB 4.22Å
32	A	92.4	Very high	83.1	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-50.4	176.4	0	0	0	0	0	111.1	W28 K29 E30 S35 L36 V75 L89	W28-A32 HydrophobicContact CH2-CB 4.33Å; W28-A32 HydrophobicContact CZ2-CB 4.47Å; W28-A32 HydrophobicContact CZ3-CB 4.37Å; W28-A32 WeakPolarHBondContact O-CB 3.49Å; W28-A32 PolarHBondContact O-N 2.83Å; K29-A32 WeakPolarHBondContact O-CB 3.26Å; K29-A32 PolarHBondContact O-N 2.75Å; E30-A32 PolarHBondContact O-N 2.7Å; A32-S35 WeakPolarHBondContact O-CB 3.43Å; A32-S35 PolarHBondContact O-N 2.97Å; A32-L36 PolarHBondContact O-N 2.87Å; A32-V75 HydrophobicContact CB-CG1 3.95Å; A32-V75 HydrophobicContact CB-CG2 4.46Å; A32-L89 HydrophobicContact CB-CD1 3.9Å
33	V	93.8	Very high	83.7	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-64.4	-44.7	177.8	-179.9	0	0	0	0	111.4	V11 L14 I15 I18 K29 E30 S35 L36 V37 W90	V11-V33 HydrophobicContact CB-CG1 4.46Å; V11-V33 HydrophobicContact CG1-CG1 4.05Å; L14-V33 HydrophobicContact CB-CG1 3.58Å; L14-V33 HydrophobicContact CD1-CG1 4.06Å; I15-V33 HydrophobicContact CG1-CB 4.06Å; I15-V33 HydrophobicContact CG1-CG1 4.18Å; I15-V33 HydrophobicContact CG1-CG2 3.94Å; I18-V33 HydrophobicContact CD1-CG2 3.99Å; K29-V33 PolarHBondContact O-N 2.62Å; E30-V33 PolarHBondContact O-N 3.02Å; V33-S35 VanDerWaalsContact C-N 3.31Å; V33-S35 PolarHBondContact O-N 3.35Å; V33-L36 PolarHBondContact O-N 3.19Å; V33-V37 HydrophobicContact CG1-CG2 4.24Å; V33-V37 WeakPolarHBondContact O-CG2 3.17Å; V33-V37 PolarHBondContact O-N 3.27Å; V33-W90 HydrophobicContact CG2-CZ2 4.1Å
34	K	92	Very high	85.3	Confident	76 Å²	76	70.3 Å²	70.3	33%	0.33	34%	0.341	S	S	.	.	H	α-helix	trans	-58.7	-41.2	175	-76.1	175.2	176.3	170.1	0	112.4	V11 E30 K38	V11-K34 HydrophobicContact CG1-CG 3.81Å; V11-K34 HydrophobicContact CG2-CG 4.39Å; E30-K34 VanDerWaalsContact CD-CE 3.41Å; E30-K34 HydrophobicContact CG-CD 4.19Å; E30-K34 WeakPolarHBondContact O-CB 3.22Å; E30-K34 VanDerWaalsContact O-CG 3.3Å; E30-K34 WeakPolarHBondContact O-CG 3.37Å; E30-K34 PolarHBondContact O-N 3.04Å; E30-K34 WeakPolarHBondContact OE1-CE 3.37Å; E30-K34 IonicContact OE1-NZ 3.14Å; E30-K34 PolarHBondContact OE1-NZ 2.96Å; E30-K34 IonicContact OE2-NZ 2.75Å; E30-K34 PolarHBondContact OE2-NZ 3.45Å; K34-K38 PolarHBondContact O-N 3.47Å; K34-K38 VanDerWaalsContact O-N 3.17Å
35	S	91.5	Very high	86.7	Confident	34 Å²	34	71.2 Å²	71.2	24%	0.238	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-42.9	175.2	-178.7	0	0	0	0	111.8	K31 A32 V33 K38 R39	K31-S35 WeakPolarHBondContact O-CB 3.5Å; K31-S35 PolarHBondContact O-N 3.39Å; A32-S35 WeakPolarHBondContact O-CB 3.43Å; A32-S35 PolarHBondContact O-N 2.97Å; V33-S35 VanDerWaalsContact C-N 3.31Å; V33-S35 PolarHBondContact O-N 3.35Å; S35-K38 PolarHBondContact O-N 3.09Å; S35-R39 WeakPolarHBondContact O-CG 3.31Å; S35-R39 PolarHBondContact O-N 3.48Å
36	L	94.4	Very high	87.6	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.8	-50.1	178	-178.5	59.9	0	0	0	112.1	A32 V33 K38 R39 L40 L49 I65 Y86 W90 I120	A32-L36 PolarHBondContact O-N 2.87Å; V33-L36 PolarHBondContact O-N 3.19Å; L36-K38 PolarHBondContact O-N 3.46Å; L36-R39 WeakPolarHBondContact O-CA 3.48Å; L36-R39 WeakPolarHBondContact O-CB 3.33Å; L36-R39 PolarHBondContact O-N 3.09Å; L36-L40 HydrophobicContact CD1-CD1 3.86Å; L36-L40 HydrophobicContact CD1-CD2 4.16Å; L36-L40 HydrophobicContact CD1-CG 3.75Å; L36-L40 HydrophobicContact CD2-CD1 4.09Å; L36-L40 HydrophobicContact CG-CD1 3.79Å; L36-L40 HydrophobicContact CG-CG 4.03Å; L36-L40 PolarHBondContact O-N 3.5Å; L36-L49 HydrophobicContact CD2-CD2 3.52Å; L36-I65 HydrophobicContact CD1-CG2 3.85Å; L36-Y86 HydrophobicContact CB-CE1 4.01Å; L36-Y86 HydrophobicContact CD1-CE1 4.49Å; L36-Y86 HydrophobicContact CD1-CE2 4.28Å; L36-Y86 HydrophobicContact CD2-CD1 4.14Å; L36-Y86 HydrophobicContact CD2-CE1 3.75Å; L36-Y86 HydrophobicContact CG-CE1 4.29Å; L36-W90 HydrophobicContact CD2-CH2 3.67Å; L36-W90 HydrophobicContact CD2-CZ3 4.17Å; L36-I120 HydrophobicContact CD1-CD1 3.36Å; L36-I120 HydrophobicContact CD2-CD1 3.61Å; L36-I120 HydrophobicContact CG-CD1 4.11Å
37	V	93.4	Very high	88.1	Confident	8 Å²	8	64.7 Å²	64.7	5%	0.048	32%	0.319	C	S	.	.	H	α-helix	trans	-57.8	-33.9	179.2	172.3	0	0	0	0	110.8	V10 V11 L14 V33 R39 K41 L46	V10-V37 HydrophobicContact CG1-CG1 4.01Å; V11-V37 HydrophobicContact CG2-CB 3.99Å; V11-V37 HydrophobicContact CG2-CG1 4.07Å; V11-V37 HydrophobicContact CG2-CG2 3.79Å; L14-V37 HydrophobicContact CD1-CG2 3.56Å; V33-V37 HydrophobicContact CG1-CG2 4.24Å; V33-V37 WeakPolarHBondContact O-CG2 3.17Å; V33-V37 PolarHBondContact O-N 3.27Å; V37-R39 VanDerWaalsContact C-N 3.32Å; V37-R39 PolarHBondContact O-N 3.23Å; V37-K41 WeakPolarHBondContact O-CG 3.41Å; V37-K41 PolarHBondContact O-N 3.47Å; V37-L46 HydrophobicContact CG1-CD2 4.31Å; V37-L46 HydrophobicContact CG2-CD1 4.04Å
38	K	90.2	Very high	88.6	Confident	169 Å²	169	59.4 Å²	59.4	74%	0.735	30%	0.297	S	S	*	.	H	α-helix	trans	-64.5	-31.8	172.8	-171.8	176.6	177.8	-177.8	0	113.4	K34 S35 L36	K34-K38 PolarHBondContact O-N 3.47Å; K34-K38 VanDerWaalsContact O-N 3.17Å; S35-K38 PolarHBondContact O-N 3.09Å; L36-K38 PolarHBondContact O-N 3.46Å
39	R	90.4	Very high	89	Confident	117 Å²	117	59 Å²	59	44%	0.442	30%	0.295	S	S	.	.	H	α-helix	trans	-80.6	-36.4	178.4	-65	168.3	-175.3	-121.3	-3.1	112.5	S35 L36 V37 K41 L73	S35-R39 WeakPolarHBondContact O-CG 3.31Å; S35-R39 PolarHBondContact O-N 3.48Å; L36-R39 WeakPolarHBondContact O-CA 3.48Å; L36-R39 WeakPolarHBondContact O-CB 3.33Å; L36-R39 PolarHBondContact O-N 3.09Å; V37-R39 VanDerWaalsContact C-N 3.32Å; V37-R39 PolarHBondContact O-N 3.23Å; R39-K41 VanDerWaalsContact C-N 3.34Å; R39-K41 PolarHBondContact O-N 3.01Å; R39-L73 VanDerWaalsContact CZ-CD1 3.41Å; R39-L73 VanDerWaalsContact NH2-CD1 3.28Å
40	L	91.7	Very high	89.3	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	4.1	-178.2	-57.8	-175.1	0	0	0	114.6	L36 N42 Q45 L46 L49 V63 T64 I65	L36-L40 HydrophobicContact CD1-CD1 3.86Å; L36-L40 HydrophobicContact CD1-CD2 4.16Å; L36-L40 HydrophobicContact CD1-CG 3.75Å; L36-L40 HydrophobicContact CD2-CD1 4.09Å; L36-L40 HydrophobicContact CG-CD1 3.79Å; L36-L40 HydrophobicContact CG-CG 4.03Å; L36-L40 PolarHBondContact O-N 3.5Å; L40-N42 PolarHBondContact O-N 2.96Å; L40-N42 VanDerWaalsContact O-N 3.09Å; L40-Q45 HydrophobicContact CB-CB 4.43Å; L40-Q45 HydrophobicContact CD2-CB 4.05Å; L40-L46 HydrophobicContact CB-CB 4.29Å; L40-L46 HydrophobicContact CB-CD1 4.47Å; L40-L46 HydrophobicContact CD1-CD1 4.37Å; L40-L49 HydrophobicContact CD1-CB 4.48Å; L40-L49 HydrophobicContact CD1-CD2 3.85Å; L40-V63 HydrophobicContact CD1-CG1 3.87Å; L40-V63 HydrophobicContact CD2-CG1 4.18Å; L40-T64 WeakPolarHBondContact CD2-O 3.35Å; L40-I65 HydrophobicContact CD2-CG2 4.14Å
41	K	76.5	Confident	89.5	Confident	144 Å²	144	61.6 Å²	61.6	63%	0.626	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.7	-176.2	-66.3	-156.3	173.9	-169.8	0	114.9	V37 R39	V37-K41 WeakPolarHBondContact O-CG 3.41Å; V37-K41 PolarHBondContact O-N 3.47Å; R39-K41 VanDerWaalsContact C-N 3.34Å; R39-K41 PolarHBondContact O-N 3.01Å
42	N	67.4	Low	89.7	Confident	153 Å²	153	56.5 Å²	56.5	82%	0.818	28%	0.281	S	S	*	.	S	Bend	trans	-104.1	79.4	-172.8	-63.4	3.8	0	0	0	109.8	L40	L40-N42 PolarHBondContact O-N 2.96Å; L40-N42 VanDerWaalsContact O-N 3.09Å
43	G	72.1	Confident	89.8	Confident	51 Å²	51	56.7 Å²	56.7	53%	0.526	28%	0.281	S	S	.	.	S	Bend	trans	127	-174	171.8	0	0	0	0	0	114.7	Q45	G43-Q45 PolarHBondContact O-N 3.28Å; G43-Q45 VanDerWaalsContact O-N 3.16Å
44	T	88.6	Confident	89.9	Confident	80 Å²	80	60.8 Å²	60.8	49%	0.491	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-0.4	-176.7	52.2	0	0	0	0	114.4	L46 D47 E48 R61	T44-L46 VanDerWaalsContact C-N 3.25Å; T44-L46 PolarHBondContact O-N 2.82Å; T44-D47 PolarHBondContact O-N 3.35Å; T44-E48 WeakPolarHBondContact O-CG 3.16Å; T44-E48 PolarHBondContact O-N 2.73Å; T44-R61 PolarHBondContact OG1-NH2 3.16Å
45	Q	92.9	Very high	90	Very high	48 Å²	48	60 Å²	60	22%	0.224	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-30.4	-175.1	-62.8	-142.5	42.8	0	0	114.2	L40 G43 L49 T64	L40-Q45 HydrophobicContact CB-CB 4.43Å; L40-Q45 HydrophobicContact CD2-CB 4.05Å; G43-Q45 PolarHBondContact O-N 3.28Å; G43-Q45 VanDerWaalsContact O-N 3.16Å; Q45-L49 PolarHBondContact O-N 3.19Å; Q45-T64 PolarHBondContact NE2-OG1 2.83Å; Q45-T64 VanDerWaalsContact NE2-OG1 3.12Å; Q45-T64 PolarHBondContact OE1-O 3.46Å; Q45-T64 VanDerWaalsContact OE1-O 3.08Å; Q45-T64 PolarHBondContact OE1-OG1 3.34Å
46	L	92.8	Very high	90.1	Very high	27 Å²	27	63.6 Å²	63.6	14%	0.141	32%	0.323	C	S	.	.	H	α-helix	trans	-72.9	-40.9	179.9	-173.7	58.9	0	0	0	111.5	V10 L14 V37 L40 T44 E48 L49 E50	V10-L46 HydrophobicContact CG1-CD2 4.13Å; V10-L46 HydrophobicContact CG2-CD1 3.94Å; V10-L46 HydrophobicContact CG2-CD2 3.9Å; V10-L46 HydrophobicContact CG2-CG 3.92Å; L14-L46 HydrophobicContact CD1-CD1 3.9Å; V37-L46 HydrophobicContact CG1-CD2 4.31Å; V37-L46 HydrophobicContact CG2-CD1 4.04Å; L40-L46 HydrophobicContact CB-CB 4.29Å; L40-L46 HydrophobicContact CB-CD1 4.47Å; L40-L46 HydrophobicContact CD1-CD1 4.37Å; T44-L46 VanDerWaalsContact C-N 3.25Å; T44-L46 PolarHBondContact O-N 2.82Å; L46-E48 VanDerWaalsContact C-N 3.34Å; L46-L49 PolarHBondContact O-N 3.16Å; L46-E50 PolarHBondContact O-N 2.77Å
47	D	91.8	Very high	90	Very high	103 Å²	103	66.6 Å²	66.6	55%	0.551	34%	0.339	S	S	*	.	H	α-helix	trans	-69.1	-35.5	175	-50.6	-49.9	0	0	0	110.9	T44 E50 R51	T44-D47 PolarHBondContact O-N 3.35Å; D47-E50 PolarHBondContact O-N 2.82Å; D47-R51 WeakPolarHBondContact O-CB 3.28Å; D47-R51 PolarHBondContact O-N 3.23Å
48	E	93.1	Very high	90.1	Very high	17 Å²	17	68.7 Å²	68.7	8%	0.079	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-40.7	171.7	-73.5	-60.6	161.7	0	0	113.1	T44 L46 R51 A52 R61 V63	T44-E48 WeakPolarHBondContact O-CG 3.16Å; T44-E48 PolarHBondContact O-N 2.73Å; L46-E48 VanDerWaalsContact C-N 3.34Å; E48-R51 PolarHBondContact O-N 3.33Å; E48-R51 IonicContact OE1-CZ 3.64Å; E48-R51 IonicContact OE1-NE 3.75Å; E48-R51 IonicContact OE1-NH2 2.92Å; E48-R51 PolarHBondContact OE1-NH2 3.26Å; E48-R51 IonicContact OE2-CZ 3.31Å; E48-R51 VanDerWaalsContact OE2-CZ 3.31Å; E48-R51 IonicContact OE2-NE 3.09Å; E48-R51 PolarHBondContact OE2-NE 2.78Å; E48-R51 VanDerWaalsContact OE2-NE 3.09Å; E48-R51 IonicContact OE2-NH2 2.7Å; E48-R51 PolarHBondContact OE2-NH2 3.28Å; E48-A52 WeakPolarHBondContact O-CB 3.41Å; E48-A52 PolarHBondContact O-N 3.42Å; E48-R61 VanDerWaalsContact CD-NE 3.32Å; E48-R61 HydrophobicContact CG-CB 4.39Å; E48-R61 IonicContact OE1-CZ 2.73Å; E48-R61 IonicContact OE1-NE 2.77Å; E48-R61 PolarHBondContact OE1-NE 3.24Å; E48-R61 IonicContact OE1-NH2 3.18Å; E48-R61 PolarHBondContact OE1-NH2 2.74Å; E48-R61 IonicContact OE2-NE 2.7Å; E48-V63 HydrophobicContact CB-CG2 3.92Å
49	L	95.2	Very high	90.2	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-65.6	-45.3	174.9	-177.9	63	0	0	0	111.4	L14 L36 L40 Q45 L46 R51 A52 L53 V63 W90	L14-L49 HydrophobicContact CD1-CD2 4.27Å; L14-L49 HydrophobicContact CD2-CD2 4.16Å; L14-L49 HydrophobicContact CD2-CG 4.23Å; L36-L49 HydrophobicContact CD2-CD2 3.52Å; L40-L49 HydrophobicContact CD1-CB 4.48Å; L40-L49 HydrophobicContact CD1-CD2 3.85Å; Q45-L49 PolarHBondContact O-N 3.19Å; L46-L49 PolarHBondContact O-N 3.16Å; L49-R51 VanDerWaalsContact C-N 3.33Å; L49-R51 PolarHBondContact O-N 3.39Å; L49-A52 PolarHBondContact O-N 2.81Å; L49-L53 HydrophobicContact CD1-CD1 4.26Å; L49-L53 HydrophobicContact CD1-CG 4.35Å; L49-L53 HydrophobicContact CG-CD1 4.09Å; L49-L53 WeakPolarHBondContact O-CB 3.44Å; L49-L53 VanDerWaalsContact O-CG 3.27Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 3.11Å; L49-V63 HydrophobicContact CB-CG1 4.11Å; L49-V63 HydrophobicContact CB-CG2 4.01Å; L49-V63 HydrophobicContact CD1-CG1 4.47Å; L49-V63 HydrophobicContact CD1-CG2 4.47Å; L49-W90 HydrophobicContact CD1-CZ3 4.34Å; L49-W90 HydrophobicContact CD2-CH2 4.15Å; L49-W90 HydrophobicContact CD2-CZ3 4.46Å
50	E	93.8	Very high	90.4	Very high	33 Å²	33	60 Å²	60	15%	0.154	33%	0.331	C	S	.	.	H	α-helix	trans	-62	-43	176.5	-171.3	163.1	174.8	0	0	110.7	R13 L46 D47 A52 L53 V54	R13-E50 WeakPolarHBondContact CD-OE1 3.12Å; R13-E50 IonicContact CZ-OE1 3.39Å; R13-E50 IonicContact CZ-OE2 3.44Å; R13-E50 IonicContact NE-OE1 2.68Å; R13-E50 PolarHBondContact NE-OE1 3.5Å; R13-E50 IonicContact NE-OE2 3.28Å; R13-E50 PolarHBondContact NE-OE2 3.18Å; R13-E50 IonicContact NH2-OE1 3.4Å; R13-E50 PolarHBondContact NH2-OE1 3.18Å; R13-E50 IonicContact NH2-OE2 2.73Å; R13-E50 PolarHBondContact NH2-OE2 3.47Å; L46-E50 PolarHBondContact O-N 2.77Å; D47-E50 PolarHBondContact O-N 2.82Å; E50-A52 PolarHBondContact O-N 3.07Å; E50-L53 PolarHBondContact O-N 3.1Å; E50-V54 WeakPolarHBondContact O-CB 3.39Å; E50-V54 VanDerWaalsContact O-CG2 3.27Å; E50-V54 WeakPolarHBondContact O-CG2 3.14Å; E50-V54 PolarHBondContact O-N 3.49Å
51	R	93.9	Very high	90.6	Very high	122 Å²	122	66.1 Å²	66.1	46%	0.46	35%	0.354	S	S	.	.	H	α-helix	trans	-58	-48.4	173.8	-175.5	166.2	75.4	134.9	-7	112.4	D47 E48 L49 L53 V54 S55 T60	D47-R51 WeakPolarHBondContact O-CB 3.28Å; D47-R51 PolarHBondContact O-N 3.23Å; E48-R51 PolarHBondContact O-N 3.33Å; E48-R51 IonicContact OE1-CZ 3.64Å; E48-R51 IonicContact OE1-NE 3.75Å; E48-R51 IonicContact OE1-NH2 2.92Å; E48-R51 PolarHBondContact OE1-NH2 3.26Å; E48-R51 IonicContact OE2-CZ 3.31Å; E48-R51 VanDerWaalsContact OE2-CZ 3.31Å; E48-R51 IonicContact OE2-NE 3.09Å; E48-R51 PolarHBondContact OE2-NE 2.78Å; E48-R51 VanDerWaalsContact OE2-NE 3.09Å; E48-R51 IonicContact OE2-NH2 2.7Å; E48-R51 PolarHBondContact OE2-NH2 3.28Å; L49-R51 VanDerWaalsContact C-N 3.33Å; L49-R51 PolarHBondContact O-N 3.39Å; R51-L53 PolarHBondContact O-N 3.36Å; R51-V54 PolarHBondContact O-N 2.85Å; R51-S55 WeakPolarHBondContact O-CB 3.41Å; R51-S55 PolarHBondContact O-N 3.12Å; R51-S55 PolarHBondContact O-OG 3.07Å; R51-T60 HydrophobicContact CG-CG2 4.49Å
52	A	95.5	Very high	91.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-37.8	178.7	0	0	0	0	0	113	E48 L49 E50 Q56 T60 Y123	E48-A52 WeakPolarHBondContact O-CB 3.41Å; E48-A52 PolarHBondContact O-N 3.42Å; L49-A52 PolarHBondContact O-N 2.81Å; E50-A52 PolarHBondContact O-N 3.07Å; A52-Q56 WeakPolarHBondContact O-CA 3.14Å; A52-Q56 PolarHBondContact O-N 3.19Å; A52-T60 HydrophobicContact CB-CG2 4.24Å; A52-T60 WeakPolarHBondContact CB-OG1 3.19Å; A52-Y123 HydrophobicContact CB-CD2 4.5Å; A52-Y123 VanDerWaalsContact O-CD2 3.22Å; A52-Y123 WeakPolarHBondContact O-CD2 3.2Å; A52-Y123 WeakPolarHBondContact O-CE2 3.42Å
53	L	95.5	Very high	92.9	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-69.4	-34.1	175.8	-68.3	173.2	0	0	0	112.9	L14 Y17 L49 E50 R51 W90 P122 Y123	L14-L53 HydrophobicContact CD2-CD1 3.45Å; L14-L53 VanDerWaalsContact CD2-CD1 3.45Å; Y17-L53 HydrophobicContact CD2-CB 4.11Å; Y17-L53 HydrophobicContact CD2-CD1 4.24Å; Y17-L53 HydrophobicContact CG-CB 4.16Å; L49-L53 HydrophobicContact CD1-CD1 4.26Å; L49-L53 HydrophobicContact CD1-CG 4.35Å; L49-L53 HydrophobicContact CG-CD1 4.09Å; L49-L53 WeakPolarHBondContact O-CB 3.44Å; L49-L53 VanDerWaalsContact O-CG 3.27Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 3.11Å; E50-L53 PolarHBondContact O-N 3.1Å; R51-L53 PolarHBondContact O-N 3.36Å; L53-W90 HydrophobicContact CD1-CD2 4.09Å; L53-W90 HydrophobicContact CD1-CG 4.3Å; L53-W90 HydrophobicContact CD1-CZ2 4.32Å; L53-W90 HydrophobicContact CD2-CB 3.57Å; L53-W90 HydrophobicContact CD2-CD2 3.8Å; L53-W90 HydrophobicContact CD2-CE3 4.29Å; L53-W90 HydrophobicContact CD2-CG 3.43Å; L53-W90 VanDerWaalsContact CD2-CG 3.43Å; L53-P122 HydrophobicContact CD2-CG 3.84Å; L53-Y123 HydrophobicContact CD2-CE2 4.25Å
54	V	94.8	Very high	94	Very high	87 Å²	87	51.6 Å²	51.6	53%	0.527	27%	0.274	S	S	.	.	H	α-helix	trans	-75.3	-50.4	176.6	170.3	0	0	0	0	112	Y17 E50 R51	Y17-V54 HydrophobicContact CE1-CG2 4.27Å; Y17-V54 HydrophobicContact CE2-CG2 4.39Å; Y17-V54 VanDerWaalsContact OH-CG2 3.28Å; Y17-V54 WeakPolarHBondContact OH-CG2 3.43Å; E50-V54 WeakPolarHBondContact O-CB 3.39Å; E50-V54 VanDerWaalsContact O-CG2 3.27Å; E50-V54 WeakPolarHBondContact O-CG2 3.14Å; E50-V54 PolarHBondContact O-N 3.49Å; R51-V54 PolarHBondContact O-N 2.85Å
55	S	94.4	Very high	94.3	Very high	60 Å²	60	47.9 Å²	47.9	42%	0.42	25%	0.251	S	S	.	.	H	α-helix	trans	-78.3	-23.8	-175.4	67.9	0	0	0	0	113.7	R51 D57	R51-S55 WeakPolarHBondContact O-CB 3.41Å; R51-S55 PolarHBondContact O-N 3.12Å; R51-S55 PolarHBondContact O-OG 3.07Å; S55-D57 PolarHBondContact O-N 3.37Å; S55-D57 VanDerWaalsContact O-N 3.15Å; S55-D57 WeakPolarHBondContact OG-CB 3.42Å; S55-D57 PolarHBondContact OG-N 3.47Å
56	Q	94.3	Very high	94.4	Very high	108 Å²	108	50 Å²	50	51%	0.505	27%	0.269	S	S	.	.			trans	57.3	20.9	-172.5	-48.1	-166.5	19	0	0	113.7	A52 P58 Y123	A52-Q56 WeakPolarHBondContact O-CA 3.14Å; A52-Q56 PolarHBondContact O-N 3.19Å; Q56-P58 WeakPolarHBondContact O-CD 3.47Å; Q56-Y123 HydrophobicContact CB-CD1 4.14Å; Q56-Y123 HydrophobicContact CB-CE1 3.53Å; Q56-Y123 HydrophobicContact CB-CE2 4.37Å; Q56-Y123 HydrophobicContact CG-CE1 4.08Å; Q56-Y123 HydrophobicContact CG-CE2 4.45Å; Q56-Y123 WeakPolarHBondContact CG-OH 3.36Å; Q56-Y123 VanDerWaalsContact O-CD1 3.26Å; Q56-Y123 WeakPolarHBondContact O-CD1 3.47Å
57	D	92.9	Very high	94.5	Very high	63 Å²	63	51.6 Å²	51.6	34%	0.337	27%	0.273	S	S	.	.			trans	-94.7	120.2	-168.9	178.3	10	0	0	0	112.1	S55 S59 T60	S55-D57 PolarHBondContact O-N 3.37Å; S55-D57 VanDerWaalsContact O-N 3.15Å; S55-D57 WeakPolarHBondContact OG-CB 3.42Å; S55-D57 PolarHBondContact OG-N 3.47Å; D57-S59 VanDerWaalsContact CG-OG 3.26Å; D57-S59 PolarHBondContact O-N 2.87Å; D57-S59 VanDerWaalsContact O-N 3.16Å; D57-S59 VanDerWaalsContact OD1-CB 3.31Å; D57-S59 WeakPolarHBondContact OD1-CB 3.34Å; D57-S59 PolarHBondContact OD1-N 3.18Å; D57-S59 PolarHBondContact OD1-OG 3.29Å; D57-S59 WeakPolarHBondContact OD2-CB 3.4Å; D57-S59 PolarHBondContact OD2-OG 2.94Å; D57-T60 HydrophobicContact CB-CG2 4.25Å; D57-T60 WeakPolarHBondContact O-CB 3.47Å; D57-T60 WeakPolarHBondContact O-CG2 3.19Å; D57-T60 PolarHBondContact O-N 3.48Å; D57-T60 PolarHBondContact O-OG1 3.37Å
58	P	93.5	Very high	94.5	Very high	53 Å²	53	48.9 Å²	48.9	34%	0.344	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.5	172.4	-24.2	35.5	0	0	0	115	Q56 T60 I104 H124	Q56-P58 WeakPolarHBondContact O-CD 3.47Å; P58-T60 PolarHBondContact O-N 2.9Å; P58-I104 HydrophobicContact CB-CD1 3.76Å; P58-I104 WeakPolarHBondContact O-CD1 3.43Å; P58-H124 PolarHBondContact O-NE2 2.91Å
59	S	94.1	Very high	94.4	Very high	94 Å²	94	56 Å²	56	66%	0.657	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-11	178.7	95.1	0	0	0	0	114.3	D57	D57-S59 VanDerWaalsContact CG-OG 3.26Å; D57-S59 PolarHBondContact O-N 2.87Å; D57-S59 VanDerWaalsContact O-N 3.16Å; D57-S59 VanDerWaalsContact OD1-CB 3.31Å; D57-S59 WeakPolarHBondContact OD1-CB 3.34Å; D57-S59 PolarHBondContact OD1-N 3.18Å; D57-S59 PolarHBondContact OD1-OG 3.29Å; D57-S59 WeakPolarHBondContact OD2-CB 3.4Å; D57-S59 PolarHBondContact OD2-OG 2.94Å
60	T	94.8	Very high	94	Very high	9 Å²	9	59.7 Å²	59.7	6%	0.055	32%	0.319	C	S	.	.	S	Bend	trans	-60.7	161.2	178.4	51.3	0	0	0	0	112.9	R51 A52 D57 P58 N121 H124	R51-T60 HydrophobicContact CG-CG2 4.49Å; A52-T60 HydrophobicContact CB-CG2 4.24Å; A52-T60 WeakPolarHBondContact CB-OG1 3.19Å; D57-T60 HydrophobicContact CB-CG2 4.25Å; D57-T60 WeakPolarHBondContact O-CB 3.47Å; D57-T60 WeakPolarHBondContact O-CG2 3.19Å; D57-T60 PolarHBondContact O-N 3.48Å; D57-T60 PolarHBondContact O-OG1 3.37Å; P58-T60 PolarHBondContact O-N 2.9Å; T60-N121 PolarHBondContact OG1-ND2 3.46Å; T60-H124 PolarHBondContact O-CE1 3.17Å; T60-H124 PolarHBondContact O-NE2 3.14Å
61	R	95.2	Very high	93.8	Very high	132 Å²	132	58.4 Å²	58.4	50%	0.498	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-69.6	158.1	-178.1	-64.3	-164.7	-69.9	156.9	3.2	111.5	T44 E48 V63 N121	T44-R61 PolarHBondContact OG1-NH2 3.16Å; E48-R61 VanDerWaalsContact CD-NE 3.32Å; E48-R61 HydrophobicContact CG-CB 4.39Å; E48-R61 IonicContact OE1-CZ 2.73Å; E48-R61 IonicContact OE1-NE 2.77Å; E48-R61 PolarHBondContact OE1-NE 3.24Å; E48-R61 IonicContact OE1-NH2 3.18Å; E48-R61 PolarHBondContact OE1-NH2 2.74Å; E48-R61 IonicContact OE2-NE 2.7Å; R61-V63 PolarHBondContact O-N 3.19Å; R61-N121 PolarHBondContact O-ND2 3.18Å; R61-N121 VanDerWaalsContact O-ND2 3.09Å
62	C	95.9	Very high	93.8	Very high	33 Å²	33	58.3 Å²	58.3	22%	0.223	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-62.1	134.8	170.4	-71.2	0	0	0	0	109.4	T64 Y109 H124	C62-T64 HydrophobicContact CB-CG2 4.3Å; C62-Y109 HydrophobicContact CB-CD2 3.98Å; C62-H124 PolarHBondContact N-CE1 3.42Å; C62-H124 VanDerWaalsContact SG-CE1 3.56Å; C62-H124 PolarHBondContact SG-ND1 3.01Å
63	V	96.3	Very high	93.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.316	C	S	.	.			trans	-107.7	116.8	167.1	179.4	0	0	0	0	105.9	L40 E48 L49 R61 C119 I120 N121	L40-V63 HydrophobicContact CD1-CG1 3.87Å; L40-V63 HydrophobicContact CD2-CG1 4.18Å; E48-V63 HydrophobicContact CB-CG2 3.92Å; L49-V63 HydrophobicContact CB-CG1 4.11Å; L49-V63 HydrophobicContact CB-CG2 4.01Å; L49-V63 HydrophobicContact CD1-CG1 4.47Å; L49-V63 HydrophobicContact CD1-CG2 4.47Å; R61-V63 PolarHBondContact O-N 3.19Å; V63-C119 CarbonylContact O-C 3.51Å; V63-C119 VanDerWaalsContact O-CA 3.28Å; V63-C119 WeakPolarHBondContact O-CA 3.42Å; V63-I120 HydrophobicContact CB-CG1 4.14Å; V63-I120 HydrophobicContact CG1-CD1 3.93Å; V63-I120 HydrophobicContact CG1-CG1 3.8Å; V63-I120 WeakPolarHBondContact O-CG1 3.34Å; V63-I120 PolarHBondContact O-N 3.27Å; V63-N121 HydrophobicContact CB-CB 4.27Å; V63-N121 HydrophobicContact CG2-CB 4.28Å
64	T	95.9	Very high	93.5	Very high	10 Å²	10	63.1 Å²	63.1	6%	0.061	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	154.8	-170.2	56.6	0	0	0	0	113.1	L40 Q45 C62 Y109 E117 V118	L40-T64 WeakPolarHBondContact CD2-O 3.35Å; Q45-T64 PolarHBondContact NE2-OG1 2.83Å; Q45-T64 VanDerWaalsContact NE2-OG1 3.12Å; Q45-T64 PolarHBondContact OE1-O 3.46Å; Q45-T64 VanDerWaalsContact OE1-O 3.08Å; Q45-T64 PolarHBondContact OE1-OG1 3.34Å; C62-T64 HydrophobicContact CB-CG2 4.3Å; T64-Y109 HydrophobicContact CG2-CD1 4.11Å; T64-Y109 HydrophobicContact CG2-CD2 4.13Å; T64-Y109 HydrophobicContact CG2-CG 3.75Å; T64-E117 WeakPolarHBondContact CB-OE1 3.47Å; T64-E117 HydrophobicContact CG2-CB 4.17Å; T64-E117 PolarHBondContact OG1-OE1 3.17Å; T64-V118 CarbonylContact C-O 3.48Å; T64-V118 WeakPolarHBondContact CA-O 3.46Å
65	I	94.9	Very high	93.2	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152.7	159.3	68.1	171.6	0	0	0	109.8	L36 L40 R67 P82 E117 V118 I120	L36-I65 HydrophobicContact CD1-CG2 3.85Å; L40-I65 HydrophobicContact CD2-CG2 4.14Å; I65-R67 PolarHBondContact O-N 2.96Å; I65-P82 HydrophobicContact CD1-CB 3.8Å; I65-P82 HydrophobicContact CD1-CG 4.1Å; I65-P82 HydrophobicContact CG1-CB 4.38Å; I65-E117 WeakPolarHBondContact O-CA 3.41Å; I65-V118 PolarHBondContact N-O 3.3Å; I65-V118 PolarHBondContact O-N 3.42Å; I65-I120 HydrophobicContact CD1-CG2 4.26Å; I65-I120 HydrophobicContact CG1-CG2 4.05Å; I65-I120 HydrophobicContact CG2-CD1 4.12Å; I65-I120 HydrophobicContact CG2-CG1 4.5Å; I65-I120 HydrophobicContact CG2-CG2 4.49Å
66	P	94.1	Very high	92.9	Very high	93 Å²	93	58.9 Å²	58.9	60%	0.604	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.7	135.9	172	-26.3	35.2	0	0	0	112.3
67	R	94.5	Very high	92.4	Very high	61 Å²	61	63 Å²	63	23%	0.23	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-72.3	136.1	175.3	-172.6	178.4	-71.4	-100.1	2.8	109.8	I65 F111 R115 D116 V118	I65-R67 PolarHBondContact O-N 2.96Å; R67-F111 PolarHBondContact NH2-O 2.91Å; R67-R115 PolarHBondContact NE-O 2.74Å; R67-D116 VanDerWaalsContact CB-O 3.24Å; R67-D116 WeakPolarHBondContact CB-O 3.45Å; R67-D116 PolarHBondContact N-O 2.99Å; R67-V118 HydrophobicContact CB-CG2 4.01Å; R67-V118 HydrophobicContact CG-CG2 4.12Å
68	S	93.1	Very high	92.1	Very high	45 Å²	45	64.3 Å²	64.3	32%	0.315	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-81.3	160.7	168	60.6	0	0	0	0	110.9	D70 G71 R72	S68-D70 PolarHBondContact O-N 2.71Å; S68-D70 VanDerWaalsContact O-N 3.1Å; S68-D70 PolarHBondContact OG-OD1 2.78Å; S68-G71 WeakPolarHBondContact O-CA 3.44Å; S68-G71 PolarHBondContact O-N 3.02Å; S68-G71 WeakPolarHBondContact OG-CA 3.41Å; S68-G71 PolarHBondContact OG-N 3.08Å; S68-R72 PolarHBondContact OG-N 3.22Å; S68-R72 PolarHBondContact OG-O 3.45Å
69	L	89.1	Confident	91.9	Very high	168 Å²	168	67.8 Å²	67.8	88%	0.88	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-35.8	176.8	-61.9	174.1	0	0	0	113.4
70	D	88.2	Confident	91.7	Very high	76 Å²	76	64 Å²	64	41%	0.406	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	6.2	177.8	75.5	-19.5	0	0	0	114.2	S68 R72	S68-D70 PolarHBondContact O-N 2.71Å; S68-D70 VanDerWaalsContact O-N 3.1Å; S68-D70 PolarHBondContact OG-OD1 2.78Å; D70-R72 PolarHBondContact O-N 3.35Å; D70-R72 VanDerWaalsContact O-N 3.1Å; D70-R72 PolarHBondContact OD1-N 2.77Å; D70-R72 IonicContact OD2-CZ 2.69Å; D70-R72 IonicContact OD2-NE 3.76Å; D70-R72 PolarHBondContact OD2-NE 3.27Å; D70-R72 IonicContact OD2-NH2 3.48Å; D70-R72 PolarHBondContact OD2-NH2 3.08Å
71	G	89.9	Confident	91.7	Very high	6 Å²	6	65 Å²	65	6%	0.062	33%	0.326	C	S	.	.	S	Bend	trans	66.3	-0	-175.7	0	0	0	0	0	116.3	S68 P82	S68-G71 WeakPolarHBondContact O-CA 3.44Å; S68-G71 PolarHBondContact O-N 3.02Å; S68-G71 WeakPolarHBondContact OG-CA 3.41Å; S68-G71 PolarHBondContact OG-N 3.08Å; G71-P82 WeakPolarHBondContact O-CD 3.43Å
72	R	92.2	Very high	91.7	Very high	120 Å²	120	59 Å²	59	45%	0.453	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-102.3	134.7	-175.2	-63.1	179.1	-59.2	-160.4	-4.9	113.5	S68 D70 G80 L81	S68-R72 PolarHBondContact OG-N 3.22Å; S68-R72 PolarHBondContact OG-O 3.45Å; D70-R72 PolarHBondContact O-N 3.35Å; D70-R72 VanDerWaalsContact O-N 3.1Å; D70-R72 PolarHBondContact OD1-N 2.77Å; D70-R72 IonicContact OD2-CZ 2.69Å; D70-R72 IonicContact OD2-NE 3.76Å; D70-R72 PolarHBondContact OD2-NE 3.27Å; D70-R72 IonicContact OD2-NH2 3.48Å; D70-R72 PolarHBondContact OD2-NH2 3.08Å; R72-G80 CarbonylContact C-O 3.59Å; R72-G80 WeakPolarHBondContact CA-O 3.19Å; R72-L81 HydrophobicContact CG-CD2 3.95Å
73	L	93.1	Very high	91.7	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.2	167.9	175.4	60.4	0	0	0	110.9	R39 V75 K79 G80 P82 F85 Y86	R39-L73 VanDerWaalsContact CZ-CD1 3.41Å; R39-L73 VanDerWaalsContact NH2-CD1 3.28Å; L73-V75 HydrophobicContact CD1-CG2 4.4Å; L73-V75 HydrophobicContact CD2-CG2 4.05Å; L73-V75 HydrophobicContact CG-CG2 3.96Å; L73-K79 WeakPolarHBondContact O-CA 3.34Å; L73-G80 PolarHBondContact N-O 2.96Å; L73-G80 PolarHBondContact O-N 3.24Å; L73-G80 VanDerWaalsContact O-O 3.13Å; L73-P82 HydrophobicContact CB-CB 4.42Å; L73-P82 HydrophobicContact CB-CG 4.03Å; L73-F85 HydrophobicContact CD2-CD2 4.13Å; L73-F85 HydrophobicContact CG-CD2 4.37Å; L73-Y86 HydrophobicContact CD2-CE2 3.71Å; L73-Y86 VanDerWaalsContact CD2-OH 3.3Å; L73-Y86 WeakPolarHBondContact CD2-OH 3.25Å
74	Q	92.2	Very high	91.6	Very high	102 Å²	102	58 Å²	58	48%	0.477	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.6	164.5	-171.9	169.4	-14.7	0	0	111	A76 K78 K79	Q74-A76 WeakPolarHBondContact CG-O 3.16Å; Q74-A76 PolarHBondContact NE2-O 3.36Å; Q74-K78 WeakPolarHBondContact CA-O 3.48Å; Q74-K79 HydrophobicContact CB-CG 3.98Å; Q74-K79 HydrophobicContact CG-CG 3.91Å
75	V	89.6	Confident	91.5	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.024	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	111.8	168.5	-179.5	0	0	0	0	108.4	W28 K31 A32 L73 Q77 K78 F85	W28-V75 HydrophobicContact CZ2-CB 4.25Å; W28-V75 PolarHBondContact NE1-O 3.12Å; K31-V75 HydrophobicContact CB-CG1 4.26Å; A32-V75 HydrophobicContact CB-CG1 3.95Å; A32-V75 HydrophobicContact CB-CG2 4.46Å; L73-V75 HydrophobicContact CD1-CG2 4.4Å; L73-V75 HydrophobicContact CD2-CG2 4.05Å; L73-V75 HydrophobicContact CG-CG2 3.96Å; V75-Q77 PolarHBondContact O-N 2.62Å; V75-K78 PolarHBondContact N-O 3.46Å; V75-K78 PolarHBondContact O-N 3.43Å; V75-F85 HydrophobicContact CG2-CD2 4.42Å; V75-F85 HydrophobicContact CG2-CE2 4.46Å
76	A	86.4	Confident	91.5	Very high	54 Å²	54	58.3 Å²	58.3	45%	0.446	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	-122	-170	0	0	0	0	0	111.2	K31 Q74	K31-A76 HydrophobicContact CD-CB 4.22Å; Q74-A76 WeakPolarHBondContact CG-O 3.16Å; Q74-A76 PolarHBondContact NE2-O 3.36Å
77	Q	84.7	Confident	91.5	Very high	193 Å²	193	53.9 Å²	53.9	90%	0.902	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-2.4	179.8	-69.1	171.6	-22.6	0	0	113.9	V75	V75-Q77 PolarHBondContact O-N 2.62Å
78	K	86	Confident	91.5	Very high	91 Å²	91	52.4 Å²	52.4	40%	0.396	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.1	-179.6	-60.4	-171.5	179.4	179.8	0	110.9	W28 Q74 V75 F85	W28-K78 HydrophobicContact CD2-CD 4.47Å; W28-K78 HydrophobicContact CG-CD 4.35Å; Q74-K78 WeakPolarHBondContact CA-O 3.48Å; V75-K78 PolarHBondContact N-O 3.46Å; V75-K78 PolarHBondContact O-N 3.43Å; K78-F85 HydrophobicContact CB-CZ 4.37Å
79	K	90	Very high	91.5	Very high	127 Å²	127	50.2 Å²	50.2	55%	0.552	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.5	169.3	-69	-173.9	173.8	-174.2	0	109.5	L73 Q74	L73-K79 WeakPolarHBondContact O-CA 3.34Å; Q74-K79 HydrophobicContact CB-CG 3.98Å; Q74-K79 HydrophobicContact CG-CG 3.91Å
80	G	90.7	Very high	91.8	Very high	13 Å²	13	42.3 Å²	42.3	13%	0.134	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	-179	178.1	0	0	0	0	0	111.6	R72 L73 F85	R72-G80 CarbonylContact C-O 3.59Å; R72-G80 WeakPolarHBondContact CA-O 3.19Å; L73-G80 PolarHBondContact N-O 2.96Å; L73-G80 PolarHBondContact O-N 3.24Å; L73-G80 VanDerWaalsContact O-O 3.13Å; G80-F85 VanDerWaalsContact CA-CZ 3.45Å; G80-F85 VanDerWaalsContact N-CZ 3.34Å
81	L	93.4	Very high	92	Very high	31 Å²	31	41.9 Å²	41.9	16%	0.162	20%	0.201	C	C	.	.			trans	-81.5	137.9	-172.5	-63.4	169.4	0	0	0	111	R72 H83 V84 F85 Q98 F111	R72-L81 HydrophobicContact CG-CD2 3.95Å; L81-H83 PolarHBondContact O-N 2.86Å; L81-V84 HydrophobicContact CB-CB 4.18Å; L81-V84 HydrophobicContact CB-CG2 3.86Å; L81-V84 HydrophobicContact CD1-CG2 4.31Å; L81-V84 PolarHBondContact O-N 3.24Å; L81-F85 PolarHBondContact O-N 3.13Å; L81-Q98 HydrophobicContact CD1-CB 3.72Å; L81-Q98 VanDerWaalsContact CD1-CD 3.42Å; L81-Q98 HydrophobicContact CD1-CG 3.93Å; L81-F111 HydrophobicContact CD1-CE1 4.43Å; L81-F111 HydrophobicContact CD2-CE1 4.15Å; L81-F111 HydrophobicContact CD2-CE2 3.92Å; L81-F111 HydrophobicContact CD2-CZ 3.51Å
82	P	95.3	Very high	92.2	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.039	21%	0.205	C	C	.	.	H	α-helix	trans	-55.6	-54.6	-174.2	-22.6	27.4	0	0	0	113.2	I65 G71 L73 V84 F85 Y86 V118 I120	I65-P82 HydrophobicContact CD1-CB 3.8Å; I65-P82 HydrophobicContact CD1-CG 4.1Å; I65-P82 HydrophobicContact CG1-CB 4.38Å; G71-P82 WeakPolarHBondContact O-CD 3.43Å; L73-P82 HydrophobicContact CB-CB 4.42Å; L73-P82 HydrophobicContact CB-CG 4.03Å; P82-V84 PolarHBondContact O-N 2.75Å; P82-F85 PolarHBondContact O-N 3.46Å; P82-Y86 WeakPolarHBondContact O-CD2 3.15Å; P82-Y86 PolarHBondContact O-N 2.98Å; P82-Y86 VanDerWaalsContact O-N 3.08Å; P82-V118 HydrophobicContact CB-CG1 4.19Å; P82-V118 HydrophobicContact CG-CG1 4.3Å; P82-I120 HydrophobicContact CB-CG2 3.89Å
83	H	95.4	Very high	92.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-43.6	-178.3	65.5	-73.9	0	0	0	112.1	L81 Y86 C87 F111 Y125	L81-H83 PolarHBondContact O-N 2.86Å; H83-Y86 PolarHBondContact O-N 3.45Å; H83-C87 VanDerWaalsContact O-CB 3.31Å; H83-C87 WeakPolarHBondContact O-CB 3.44Å; H83-C87 PolarHBondContact O-N 2.88Å; H83-C87 PolarHBondContact O-SG 3.43Å; H83-F111 VanDerWaalsContact CE1-CB 3.42Å; H83-F111 WeakPolarHBondContact CE1-CB 3.22Å; H83-F111 AromaticContact CE1-CD1 3.35Å; H83-F111 WeakPolarHBondContact CE1-CD1 3.41Å; H83-F111 AromaticContact CE1-CD2 3.79Å; H83-F111 AromaticContact CE1-CG 3.2Å; H83-F111 WeakPolarHBondContact CE1-CG 3.13Å; H83-F111 VanDerWaalsContact ND1-CB 3.35Å; H83-F111 WeakPolarHBondContact ND1-CB 3.47Å; H83-F111 AromaticContact ND1-CD1 4Å; H83-F111 AromaticContact ND1-CD2 3.61Å; H83-F111 AromaticContact ND1-CG 3.36Å; H83-F111 WeakPolarHBondContact ND1-CG 3.28Å; H83-Y125 HydrophobicContact CB-CD2 4.44Å; H83-Y125 HydrophobicContact CB-CE1 4.07Å; H83-Y125 HydrophobicContact CB-CE2 3.69Å; H83-Y125 VanDerWaalsContact CB-CZ 3.47Å; H83-Y125 WeakPolarHBondContact CB-OH 3.42Å; H83-Y125 AromaticContact CD2-CE1 3.85Å
84	V	94.7	Very high	91.8	Very high	12 Å²	12	42.3 Å²	42.3	7%	0.073	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-48.9	174.3	-178.6	0	0	0	0	111	L81 P82 Y86 C87 Q88 L95 Q98 L101	L81-V84 HydrophobicContact CB-CB 4.18Å; L81-V84 HydrophobicContact CB-CG2 3.86Å; L81-V84 HydrophobicContact CD1-CG2 4.31Å; L81-V84 PolarHBondContact O-N 3.24Å; P82-V84 PolarHBondContact O-N 2.75Å; V84-Y86 VanDerWaalsContact C-N 3.32Å; V84-Y86 PolarHBondContact O-N 2.71Å; V84-C87 PolarHBondContact O-N 3.14Å; V84-Q88 WeakPolarHBondContact O-CB 3.3Å; V84-Q88 PolarHBondContact O-N 2.95Å; V84-L95 HydrophobicContact CB-CD2 4.38Å; V84-L95 HydrophobicContact CG1-CD2 3.76Å; V84-L95 HydrophobicContact CG1-CG 4.32Å; V84-Q98 HydrophobicContact CG2-CB 3.8Å; V84-L101 HydrophobicContact CG2-CD1 4.47Å
85	F	93.1	Very high	91.6	Very high	18 Å²	18	37.5 Å²	37.5	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-41.1	180	-84.6	4.9	0	0	0	113.1	W28 L73 V75 K78 G80 L81 P82 L89	W28-F85 HydrophobicContact CH2-CB 4.48Å; W28-F85 HydrophobicContact CH2-CD1 4.4Å; W28-F85 HydrophobicContact CH2-CD2 4.2Å; W28-F85 HydrophobicContact CH2-CG 4.13Å; W28-F85 AromaticContact CZ2-CD2 3.91Å; W28-F85 HydrophobicContact CZ2-CD2 3.91Å; W28-F85 HydrophobicContact CZ2-CE1 4.45Å; W28-F85 AromaticContact CZ2-CE2 3.85Å; W28-F85 HydrophobicContact CZ2-CE2 3.85Å; W28-F85 HydrophobicContact CZ2-CG 4.25Å; W28-F85 HydrophobicContact CZ2-CZ 4.1Å; L73-F85 HydrophobicContact CD2-CD2 4.13Å; L73-F85 HydrophobicContact CG-CD2 4.37Å; V75-F85 HydrophobicContact CG2-CD2 4.42Å; V75-F85 HydrophobicContact CG2-CE2 4.46Å; K78-F85 HydrophobicContact CB-CZ 4.37Å; G80-F85 VanDerWaalsContact CA-CZ 3.45Å; G80-F85 VanDerWaalsContact N-CZ 3.34Å; L81-F85 PolarHBondContact O-N 3.13Å; P82-F85 PolarHBondContact O-N 3.46Å; F85-L89 WeakPolarHBondContact O-CG 3.3Å; F85-L89 PolarHBondContact O-N 3.4Å
86	Y	95.1	Very high	91.4	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-82.4	-34.9	-177.5	-65.3	-56.5	0	0	0	113	L36 L73 P82 H83 V84 Q88 L89 W90 I120	L36-Y86 HydrophobicContact CB-CE1 4.01Å; L36-Y86 HydrophobicContact CD1-CE1 4.49Å; L36-Y86 HydrophobicContact CD1-CE2 4.28Å; L36-Y86 HydrophobicContact CD2-CD1 4.14Å; L36-Y86 HydrophobicContact CD2-CE1 3.75Å; L36-Y86 HydrophobicContact CG-CE1 4.29Å; L73-Y86 HydrophobicContact CD2-CE2 3.71Å; L73-Y86 VanDerWaalsContact CD2-OH 3.3Å; L73-Y86 WeakPolarHBondContact CD2-OH 3.25Å; P82-Y86 WeakPolarHBondContact O-CD2 3.15Å; P82-Y86 PolarHBondContact O-N 2.98Å; P82-Y86 VanDerWaalsContact O-N 3.08Å; H83-Y86 PolarHBondContact O-N 3.45Å; V84-Y86 VanDerWaalsContact C-N 3.32Å; V84-Y86 PolarHBondContact O-N 2.71Å; Y86-Q88 VanDerWaalsContact C-N 3.27Å; Y86-Q88 PolarHBondContact O-N 3.19Å; Y86-L89 HydrophobicContact CD1-CD1 3.99Å; Y86-L89 HydrophobicContact CE1-CD1 4.38Å; Y86-L89 PolarHBondContact O-N 2.97Å; Y86-W90 HydrophobicContact CD1-CE3 4.27Å; Y86-W90 AromaticContact CD1-CH2 3.7Å; Y86-W90 HydrophobicContact CD1-CH2 3.7Å; Y86-W90 AromaticContact CD1-CZ3 3.36Å; Y86-W90 HydrophobicContact CD1-CZ3 3.36Å; Y86-W90 HydrophobicContact CE1-CH2 4.28Å; Y86-W90 HydrophobicContact CE1-CZ3 4.33Å; Y86-W90 AromaticContact CG-CZ3 3.78Å; Y86-W90 HydrophobicContact CG-CZ3 3.78Å; Y86-W90 PolarHBondContact O-N 2.76Å; Y86-W90 VanDerWaalsContact O-N 3.14Å; Y86-I120 HydrophobicContact CD2-CB 3.55Å; Y86-I120 HydrophobicContact CD2-CD1 4Å; Y86-I120 HydrophobicContact CD2-CG1 4.42Å; Y86-I120 HydrophobicContact CD2-CG2 3.5Å; Y86-I120 HydrophobicContact CE2-CB 4.19Å; Y86-I120 HydrophobicContact CE2-CD1 4.07Å; Y86-I120 HydrophobicContact CE2-CG2 3.83Å; Y86-I120 HydrophobicContact CG-CB 4.26Å; Y86-I120 HydrophobicContact CG-CD1 4.49Å
87	C	95.8	Very high	91.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-38.7	167	-66.6	0	0	0	0	111.5	H83 V84 L89 R91 W92 L95 L101	H83-C87 VanDerWaalsContact O-CB 3.31Å; H83-C87 WeakPolarHBondContact O-CB 3.44Å; H83-C87 PolarHBondContact O-N 2.88Å; H83-C87 PolarHBondContact O-SG 3.43Å; V84-C87 PolarHBondContact O-N 3.14Å; C87-L89 VanDerWaalsContact C-N 3.32Å; C87-L89 PolarHBondContact O-N 3.01Å; C87-R91 WeakPolarHBondContact O-CA 3.31Å; C87-R91 PolarHBondContact O-N 3.13Å; C87-W92 HydrophobicContact CB-CE3 4.16Å; C87-W92 HydrophobicContact CB-CZ3 4.37Å; C87-W92 PolarHBondContact O-N 3.41Å; C87-L95 HydrophobicContact CB-CD2 3.94Å; C87-L101 HydrophobicContact CB-CD1 3.94Å
88	Q	92.8	Very high	91.6	Very high	29 Å²	29	31.4 Å²	31.4	14%	0.136	15%	0.149	C	C	.	.	H	α-helix	trans	-72.3	-22.5	178.6	-167.5	172.5	19.4	0	0	114.1	K24 V84 Y86 W92 P93 L95	K24-Q88 VanDerWaalsContact NZ-CD 3.26Å; V84-Q88 WeakPolarHBondContact O-CB 3.3Å; V84-Q88 PolarHBondContact O-N 2.95Å; Y86-Q88 VanDerWaalsContact C-N 3.27Å; Y86-Q88 PolarHBondContact O-N 3.19Å; Q88-W92 VanDerWaalsContact CA-O 3.3Å; Q88-W92 WeakPolarHBondContact CA-O 3.4Å; Q88-W92 WeakPolarHBondContact CG-O 3.25Å; Q88-P93 VanDerWaalsContact CG-O 3.25Å; Q88-P93 WeakPolarHBondContact CG-O 3.44Å; Q88-P93 PolarHBondContact NE2-O 3.49Å; Q88-P93 WeakPolarHBondContact O-CA 3.16Å; Q88-L95 HydrophobicContact CB-CB 4.21Å; Q88-L95 HydrophobicContact CB-CD2 4.47Å; Q88-L95 HydrophobicContact CG-CB 4.21Å; Q88-L95 PolarHBondContact NE2-O 3.35Å; Q88-L95 PolarHBondContact OE1-O 3.08Å
89	L	93.3	Very high	91.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-79.3	-45.5	173.3	-77.4	167.9	0	0	0	111.7	I18 K19 W28 K29 A32 F85 Y86 C87	I18-L89 WeakPolarHBondContact CA-O 3.27Å; I18-L89 HydrophobicContact CD1-CD2 4.1Å; I18-L89 HydrophobicContact CG1-CD2 4.47Å; I18-L89 HydrophobicContact CG2-CD2 4.31Å; I18-L89 WeakPolarHBondContact CG2-O 3.46Å; K19-L89 PolarHBondContact N-O 3.44Å; W28-L89 HydrophobicContact CZ3-CD1 4.36Å; W28-L89 HydrophobicContact CZ3-CD2 3.88Å; W28-L89 HydrophobicContact CZ3-CG 4.2Å; K29-L89 HydrophobicContact CB-CD2 4.22Å; K29-L89 HydrophobicContact CG-CD2 3.9Å; A32-L89 HydrophobicContact CB-CD1 3.9Å; F85-L89 WeakPolarHBondContact O-CG 3.3Å; F85-L89 PolarHBondContact O-N 3.4Å; Y86-L89 HydrophobicContact CD1-CD1 3.99Å; Y86-L89 HydrophobicContact CE1-CD1 4.38Å; Y86-L89 PolarHBondContact O-N 2.97Å; C87-L89 VanDerWaalsContact C-N 3.32Å; C87-L89 PolarHBondContact O-N 3.01Å
90	W	95.1	Very high	91.7	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-106.6	-10.3	-166.7	-67.7	-58.9	0	0	0	115.8	L14 K19 V33 L36 L49 L53 Y86 P122	L14-W90 HydrophobicContact CB-CZ2 4.45Å; L14-W90 PolarHBondContact O-NE1 3.36Å; K19-W90 WeakPolarHBondContact CG-O 3.21Å; V33-W90 HydrophobicContact CG2-CZ2 4.1Å; L36-W90 HydrophobicContact CD2-CH2 3.67Å; L36-W90 HydrophobicContact CD2-CZ3 4.17Å; L49-W90 HydrophobicContact CD1-CZ3 4.34Å; L49-W90 HydrophobicContact CD2-CH2 4.15Å; L49-W90 HydrophobicContact CD2-CZ3 4.46Å; L53-W90 HydrophobicContact CD1-CD2 4.09Å; L53-W90 HydrophobicContact CD1-CG 4.3Å; L53-W90 HydrophobicContact CD1-CZ2 4.32Å; L53-W90 HydrophobicContact CD2-CB 3.57Å; L53-W90 HydrophobicContact CD2-CD2 3.8Å; L53-W90 HydrophobicContact CD2-CE3 4.29Å; L53-W90 HydrophobicContact CD2-CG 3.43Å; L53-W90 VanDerWaalsContact CD2-CG 3.43Å; Y86-W90 HydrophobicContact CD1-CE3 4.27Å; Y86-W90 AromaticContact CD1-CH2 3.7Å; Y86-W90 HydrophobicContact CD1-CH2 3.7Å; Y86-W90 AromaticContact CD1-CZ3 3.36Å; Y86-W90 HydrophobicContact CD1-CZ3 3.36Å; Y86-W90 HydrophobicContact CE1-CH2 4.28Å; Y86-W90 HydrophobicContact CE1-CZ3 4.33Å; Y86-W90 AromaticContact CG-CZ3 3.78Å; Y86-W90 HydrophobicContact CG-CZ3 3.78Å; Y86-W90 PolarHBondContact O-N 2.76Å; Y86-W90 VanDerWaalsContact O-N 3.14Å; W90-P122 HydrophobicContact CB-CB 4.46Å; W90-P122 HydrophobicContact CB-CG 4.06Å; W90-P122 HydrophobicContact CE3-CG 4.31Å
91	R	93.9	Very high	91.9	Very high	67 Å²	67	23.2 Å²	23.2	25%	0.253	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-57.4	-177.6	-65.6	-173.1	71.2	-168.7	1.3	114.8	C87 P93 P122 Y123 Y125	C87-R91 WeakPolarHBondContact O-CA 3.31Å; C87-R91 PolarHBondContact O-N 3.13Å; R91-P93 WeakPolarHBondContact O-CD 3.4Å; R91-P122 WeakPolarHBondContact CD-O 3.03Å; R91-P122 HydrophobicContact CG-CB 4.02Å; R91-P122 PolarHBondContact NH1-O 2.89Å; R91-Y123 HydrophobicContact CG-CE1 4.27Å; R91-Y125 PolarHBondContact NH1-O 3.07Å
92	W	92.8	Very high	91.9	Very high	41 Å²	41	29.4 Å²	29.4	16%	0.155	13%	0.132	C	C	.	.			trans	-126.2	84.5	-170.8	-58	-66.7	0	0	0	111.3	C87 Q88 D94 L95 L101 R127	C87-W92 HydrophobicContact CB-CE3 4.16Å; C87-W92 HydrophobicContact CB-CZ3 4.37Å; C87-W92 PolarHBondContact O-N 3.41Å; Q88-W92 VanDerWaalsContact CA-O 3.3Å; Q88-W92 WeakPolarHBondContact CA-O 3.4Å; Q88-W92 WeakPolarHBondContact CG-O 3.25Å; W92-D94 PolarHBondContact O-N 2.82Å; W92-D94 VanDerWaalsContact O-N 3.13Å; W92-L95 HydrophobicContact CB-CB 4.09Å; W92-L95 WeakPolarHBondContact O-CB 3.42Å; W92-L95 PolarHBondContact O-N 3.27Å; W92-L101 HydrophobicContact CE3-CD2 3.78Å; W92-L101 HydrophobicContact CH2-CD2 4.36Å; W92-L101 HydrophobicContact CZ3-CD2 3.47Å; W92-L101 VanDerWaalsContact CZ3-CD2 3.47Å; W92-R127 HydrophobicContact CD2-CB 4.24Å; W92-R127 HydrophobicContact CH2-CB 4.01Å; W92-R127 VanDerWaalsContact CH2-N 3.28Å; W92-R127 HydrophobicContact CZ2-CB 3.64Å; W92-R127 HydrophobicContact CZ3-CB 4.48Å
93	P	90	Very high	92	Very high	22 Å²	22	30.7 Å²	30.7	14%	0.143	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-35.9	178.1	-29	34.8	0	0	0	115.1	K19 E20 G21 Q88 R91 L95	K19-P93 HydrophobicContact CB-CG 3.78Å; E20-P93 WeakPolarHBondContact O-CG 3.47Å; G21-P93 VanDerWaalsContact C-CB 3.49Å; G21-P93 WeakPolarHBondContact O-CB 3.14Å; Q88-P93 VanDerWaalsContact CG-O 3.25Å; Q88-P93 WeakPolarHBondContact CG-O 3.44Å; Q88-P93 PolarHBondContact NE2-O 3.49Å; Q88-P93 WeakPolarHBondContact O-CA 3.16Å; R91-P93 WeakPolarHBondContact O-CD 3.4Å; P93-L95 VanDerWaalsContact C-N 3.29Å; P93-L95 PolarHBondContact O-N 2.75Å
94	D	86.8	Confident	92	Very high	76 Å²	76	31.1 Å²	31.1	41%	0.406	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	12.3	-179	69	-46.9	0	0	0	113.5	W92 H96 R127	W92-D94 PolarHBondContact O-N 2.82Å; W92-D94 VanDerWaalsContact O-N 3.13Å; D94-H96 PolarHBondContact O-CE1 3.43Å; D94-H96 PolarHBondContact O-N 3.47Å; D94-H96 PolarHBondContact O-ND1 2.86Å; D94-R127 VanDerWaalsContact CG-NH1 3.29Å; D94-R127 PolarHBondContact O-NH2 2.91Å; D94-R127 IonicContact OD1-CZ 2.92Å; D94-R127 IonicContact OD1-NH1 2.78Å; D94-R127 PolarHBondContact OD1-NH1 2.79Å; D94-R127 VanDerWaalsContact OD1-NH1 3.14Å; D94-R127 IonicContact OD1-NH2 3.19Å; D94-R127 IonicContact OD2-CZ 3.64Å; D94-R127 IonicContact OD2-NH1 3.96Å; D94-R127 PolarHBondContact OD2-NH1 3.46Å; D94-R127 IonicContact OD2-NH2 2.69Å; D94-R127 PolarHBondContact OD2-NH2 2.74Å
95	L	89.9	Confident	92	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.184	C	C	.	.			trans	-70.7	120.4	174.3	-168.7	75.9	0	0	0	110.7	V84 C87 Q88 W92 P93 E100 L101	V84-L95 HydrophobicContact CB-CD2 4.38Å; V84-L95 HydrophobicContact CG1-CD2 3.76Å; V84-L95 HydrophobicContact CG1-CG 4.32Å; C87-L95 HydrophobicContact CB-CD2 3.94Å; Q88-L95 HydrophobicContact CB-CB 4.21Å; Q88-L95 HydrophobicContact CB-CD2 4.47Å; Q88-L95 HydrophobicContact CG-CB 4.21Å; Q88-L95 PolarHBondContact NE2-O 3.35Å; Q88-L95 PolarHBondContact OE1-O 3.08Å; W92-L95 HydrophobicContact CB-CB 4.09Å; W92-L95 WeakPolarHBondContact O-CB 3.42Å; W92-L95 PolarHBondContact O-N 3.27Å; P93-L95 VanDerWaalsContact C-N 3.29Å; P93-L95 PolarHBondContact O-N 2.75Å; L95-E100 HydrophobicContact CD1-CB 3.52Å; L95-E100 HydrophobicContact CD1-CG 4.33Å; L95-L101 HydrophobicContact CD1-CD2 3.83Å; L95-L101 HydrophobicContact CD1-CG 4.02Å; L95-L101 HydrophobicContact CD2-CD1 3.74Å; L95-L101 HydrophobicContact CD2-CD2 4.13Å; L95-L101 HydrophobicContact CD2-CG 3.98Å
96	H	84.5	Confident	92.1	Very high	75 Å²	75	39.9 Å²	39.9	35%	0.347	21%	0.21	S	C	.	.			trans	-100.6	-28.6	-176	-64	88.7	0	0	0	113.3	D94 E100 C478	D94-H96 PolarHBondContact O-CE1 3.43Å; D94-H96 PolarHBondContact O-N 3.47Å; D94-H96 PolarHBondContact O-ND1 2.86Å; H96-E100 WeakPolarHBondContact CA-OE1 3.29Å; H96-E100 WeakPolarHBondContact CB-OE1 3.34Å; H96-E100 PolarHBondContact N-OE1 2.97Å; H96-C478 HydrophobicContact CB-CB 3.84Å
97	T	85.5	Confident	92.1	Very high	11 Å²	11	40.1 Å²	40.1	7%	0.067	21%	0.211	C	C	.	.			trans	-150.6	162.7	-174.4	-171.4	0	0	0	0	114.5	H99 E100 Y521 I523	T97-H99 HydrophobicContact CG2-CB 3.92Å; T97-H99 PolarHBondContact O-N 3.43Å; T97-H99 PolarHBondContact OG1-CD2 3.32Å; T97-E100 HydrophobicContact CG2-CG 3.95Å; T97-E100 PolarHBondContact N-OE1 2.9Å; T97-E100 PolarHBondContact O-N 3.25Å; T97-Y521 VanDerWaalsContact CB-CE1 3.46Å; T97-Y521 HydrophobicContact CG2-CD1 3.57Å; T97-Y521 HydrophobicContact CG2-CE1 3.55Å; T97-Y521 HydrophobicContact CG2-CG 4.34Å; T97-I523 HydrophobicContact CG2-CD1 3.56Å
98	Q	89.1	Confident	92.1	Very high	36 Å²	36	45.5 Å²	45.5	17%	0.168	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-63.8	-26.8	171.5	62.3	-177.7	-22	0	0	112.9	L81 V84 E100 L101	L81-Q98 HydrophobicContact CD1-CB 3.72Å; L81-Q98 VanDerWaalsContact CD1-CD 3.42Å; L81-Q98 HydrophobicContact CD1-CG 3.93Å; V84-Q98 HydrophobicContact CG2-CB 3.8Å; Q98-E100 PolarHBondContact O-N 3.31Å; Q98-L101 PolarHBondContact O-N 3.14Å
99	H	87.5	Confident	92.3	Very high	45 Å²	45	47.5 Å²	47.5	21%	0.208	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-69.8	-18.6	-177.3	-58.8	-67.8	0	0	0	112.6	T97 L101 I128 I523	T97-H99 HydrophobicContact CG2-CB 3.92Å; T97-H99 PolarHBondContact O-N 3.43Å; T97-H99 PolarHBondContact OG1-CD2 3.32Å; H99-L101 PolarHBondContact O-N 2.99Å; H99-I128 VanDerWaalsContact O-CD1 3.25Å; H99-I128 WeakPolarHBondContact O-CD1 3.13Å; H99-I523 HydrophobicContact CB-CD1 3.67Å
100	E	91.5	Very high	92.4	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.047	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-75.4	-7	170.5	-70.8	170.6	-92.4	0	0	113	L95 H96 T97 Q98 R127 I128 I523	L95-E100 HydrophobicContact CD1-CB 3.52Å; L95-E100 HydrophobicContact CD1-CG 4.33Å; H96-E100 WeakPolarHBondContact CA-OE1 3.29Å; H96-E100 WeakPolarHBondContact CB-OE1 3.34Å; H96-E100 PolarHBondContact N-OE1 2.97Å; T97-E100 HydrophobicContact CG2-CG 3.95Å; T97-E100 PolarHBondContact N-OE1 2.9Å; T97-E100 PolarHBondContact O-N 3.25Å; Q98-E100 PolarHBondContact O-N 3.31Å; E100-R127 CarbonylContact O-C 3.55Å; E100-R127 VanDerWaalsContact O-CA 3.25Å; E100-R127 WeakPolarHBondContact O-CA 3.24Å; E100-R127 IonicContact OE2-CZ 2.62Å; E100-R127 IonicContact OE2-NE 2.81Å; E100-R127 PolarHBondContact OE2-NE 3.13Å; E100-R127 IonicContact OE2-NH2 3.91Å; E100-R127 PolarHBondContact OE2-NH2 2.68Å; E100-I128 PolarHBondContact O-N 3.46Å; E100-I523 HydrophobicContact CG-CD1 3.72Å; E100-I523 HydrophobicContact CG-CG1 3.89Å; E100-I523 HydrophobicContact CG-CG2 4.17Å
101	L	94.5	Very high	92.3	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.5	-176.9	-63.2	-175.6	0	0	0	112.6	V84 C87 W92 L95 Q98 H99 Y125 R126	V84-L101 HydrophobicContact CG2-CD1 4.47Å; C87-L101 HydrophobicContact CB-CD1 3.94Å; W92-L101 HydrophobicContact CE3-CD2 3.78Å; W92-L101 HydrophobicContact CH2-CD2 4.36Å; W92-L101 HydrophobicContact CZ3-CD2 3.47Å; W92-L101 VanDerWaalsContact CZ3-CD2 3.47Å; L95-L101 HydrophobicContact CD1-CD2 3.83Å; L95-L101 HydrophobicContact CD1-CG 4.02Å; L95-L101 HydrophobicContact CD2-CD1 3.74Å; L95-L101 HydrophobicContact CD2-CD2 4.13Å; L95-L101 HydrophobicContact CD2-CG 3.98Å; Q98-L101 PolarHBondContact O-N 3.14Å; H99-L101 PolarHBondContact O-N 2.99Å; L101-Y125 HydrophobicContact CB-CD1 4.31Å; L101-Y125 HydrophobicContact CD1-CD1 4.48Å; L101-Y125 HydrophobicContact CD1-CG 4.4Å; L101-R126 WeakPolarHBondContact CA-O 3.25Å
102	R	94.5	Very high	92.2	Very high	160 Å²	160	50.2 Å²	50.2	60%	0.604	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.6	167	-169.6	173.9	-65.4	171.9	2.3	109.5	Y125 R126 I128	R102-Y125 CarbonylContact O-C 3.57Å; R102-Y125 WeakPolarHBondContact O-CA 3.22Å; R102-R126 PolarHBondContact N-O 3.37Å; R102-R126 PolarHBondContact O-N 3.48Å; R102-I128 HydrophobicContact CB-CD1 4.5Å; R102-I128 HydrophobicContact CB-CG1 4.25Å
103	P	96.3	Very high	92.2	Very high	34 Å²	34	50.5 Å²	50.5	22%	0.221	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	152.2	174	29.7	-35.4	0	0	0	110.9	S110 H124 Y125	P103-S110 VanDerWaalsContact CB-CB 3.42Å; P103-H124 CarbonylContact C-O 3.54Å; P103-H124 WeakPolarHBondContact CA-O 3.35Å; P103-Y125 HydrophobicContact CB-CD1 4.24Å; P103-Y125 HydrophobicContact CB-CE1 4.19Å
104	I	95.8	Very high	92.2	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.041	30%	0.296	C	S	.	.			trans	-73.5	151.1	168.7	66.9	179.1	0	0	0	110.4	P58 T106 C107 H124 R126	P58-I104 HydrophobicContact CB-CD1 3.76Å; P58-I104 WeakPolarHBondContact O-CD1 3.43Å; I104-T106 WeakPolarHBondContact CD1-OG1 3.34Å; I104-T106 WeakPolarHBondContact CG1-OG1 3.21Å; I104-T106 PolarHBondContact O-N 2.96Å; I104-T106 VanDerWaalsContact O-N 3.14Å; I104-C107 HydrophobicContact CG1-CB 3.81Å; I104-C107 WeakPolarHBondContact O-CB 3.39Å; I104-C107 PolarHBondContact O-N 3.5Å; I104-H124 HydrophobicContact CD1-CB 4.36Å; I104-H124 HydrophobicContact CG1-CB 4.37Å; I104-H124 PolarHBondContact N-O 2.83Å; I104-R126 HydrophobicContact CG2-CG 3.91Å
105	A	94.2	Very high	92.6	Very high	114 Å²	114	58.6 Å²	58.6	94%	0.942	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.4	-177.6	0	0	0	0	0	113.9	C107	A105-C107 VanDerWaalsContact C-N 3.33Å; A105-C107 PolarHBondContact O-N 3.27Å
106	T	94.8	Very high	92.8	Very high	101 Å²	101	65.4 Å²	65.4	62%	0.62	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-4.7	177.7	52.1	0	0	0	0	114.3	I104 E108	I104-T106 WeakPolarHBondContact CD1-OG1 3.34Å; I104-T106 WeakPolarHBondContact CG1-OG1 3.21Å; I104-T106 PolarHBondContact O-N 2.96Å; I104-T106 VanDerWaalsContact O-N 3.14Å; T106-E108 PolarHBondContact O-N 3.06Å
107	C	96.2	Very high	93.3	Very high	6 Å²	6	64.8 Å²	64.8	4%	0.041	33%	0.329	C	S	.	.			trans	-87.8	89.3	-178	176.7	0	0	0	0	111.9	I104 A105 Y109 S110 H124	I104-C107 HydrophobicContact CG1-CB 3.81Å; I104-C107 WeakPolarHBondContact O-CB 3.39Å; I104-C107 PolarHBondContact O-N 3.5Å; A105-C107 VanDerWaalsContact C-N 3.33Å; A105-C107 PolarHBondContact O-N 3.27Å; C107-Y109 VanDerWaalsContact C-N 3.28Å; C107-Y109 PolarHBondContact O-N 3.28Å; C107-S110 PolarHBondContact O-N 2.87Å; C107-S110 PolarHBondContact SG-N 3.04Å; C107-S110 VanDerWaalsContact SG-N 3.43Å; C107-H124 HydrophobicContact CB-CB 3.92Å
108	E	95	Very high	93.8	Very high	113 Å²	113	64.3 Å²	64.3	53%	0.528	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.3	180	-63.3	-168.9	-157.8	0	0	114.9	T106 S113 R115	T106-E108 PolarHBondContact O-N 3.06Å; E108-S113 PolarHBondContact O-OG 3.44Å; E108-R115 PolarHBondContact O-NE 2.9Å; E108-R115 IonicContact OE2-CZ 2.74Å; E108-R115 IonicContact OE2-NH1 3.18Å; E108-R115 PolarHBondContact OE2-NH1 3Å; E108-R115 IonicContact OE2-NH2 3.28Å
109	Y	96.5	Very high	94.2	Very high	70 Å²	70	62.6 Å²	62.6	28%	0.275	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	27.8	-175	-62.5	-91.6	0	0	0	112.4	C62 T64 C107 R115 E117 C119	C62-Y109 HydrophobicContact CB-CD2 3.98Å; T64-Y109 HydrophobicContact CG2-CD1 4.11Å; T64-Y109 HydrophobicContact CG2-CD2 4.13Å; T64-Y109 HydrophobicContact CG2-CG 3.75Å; C107-Y109 VanDerWaalsContact C-N 3.28Å; C107-Y109 PolarHBondContact O-N 3.28Å; Y109-R115 HydrophobicContact CD1-CB 4.43Å; Y109-E117 HydrophobicContact CD1-CB 3.86Å; Y109-E117 HydrophobicContact CE1-CB 4.3Å; Y109-C119 VanDerWaalsContact O-CB 3.29Å; Y109-C119 WeakPolarHBondContact O-CB 3.41Å; Y109-C119 PolarHBondContact O-N 3.4Å
110	S	96.1	Very high	94.6	Very high	13 Å²	13	60.4 Å²	60.4	9%	0.091	31%	0.307	C	S	.	.			trans	-54.4	150.6	177.9	62.3	0	0	0	0	111.6	P103 C107 Q112 S113	P103-S110 VanDerWaalsContact CB-CB 3.42Å; C107-S110 PolarHBondContact O-N 2.87Å; C107-S110 PolarHBondContact SG-N 3.04Å; C107-S110 VanDerWaalsContact SG-N 3.43Å; S110-Q112 PolarHBondContact O-N 3.45Å; S110-Q112 VanDerWaalsContact O-N 3.13Å; S110-S113 WeakPolarHBondContact O-CB 3.37Å; S110-S113 PolarHBondContact O-N 2.89Å; S110-S113 PolarHBondContact O-OG 2.77Å; S110-S113 PolarHBondContact OG-N 2.73Å
111	F	93.6	Very high	94.9	Very high	27 Å²	27	60 Å²	60	12%	0.118	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-56.9	-33.1	179.2	-177.4	-101.6	0	0	0	112.8	R67 L81 H83 S113 V118 Y125	R67-F111 PolarHBondContact NH2-O 2.91Å; L81-F111 HydrophobicContact CD1-CE1 4.43Å; L81-F111 HydrophobicContact CD2-CE1 4.15Å; L81-F111 HydrophobicContact CD2-CE2 3.92Å; L81-F111 HydrophobicContact CD2-CZ 3.51Å; H83-F111 VanDerWaalsContact CE1-CB 3.42Å; H83-F111 WeakPolarHBondContact CE1-CB 3.22Å; H83-F111 AromaticContact CE1-CD1 3.35Å; H83-F111 WeakPolarHBondContact CE1-CD1 3.41Å; H83-F111 AromaticContact CE1-CD2 3.79Å; H83-F111 AromaticContact CE1-CG 3.2Å; H83-F111 WeakPolarHBondContact CE1-CG 3.13Å; H83-F111 VanDerWaalsContact ND1-CB 3.35Å; H83-F111 WeakPolarHBondContact ND1-CB 3.47Å; H83-F111 AromaticContact ND1-CD1 4Å; H83-F111 AromaticContact ND1-CD2 3.61Å; H83-F111 AromaticContact ND1-CG 3.36Å; H83-F111 WeakPolarHBondContact ND1-CG 3.28Å; F111-S113 VanDerWaalsContact C-N 3.35Å; F111-V118 HydrophobicContact CB-CG1 4.26Å; F111-V118 HydrophobicContact CD2-CG1 3.9Å; F111-V118 HydrophobicContact CD2-CG2 4.05Å; F111-Y125 PolarHBondContact N-OH 2.77Å
112	Q	91.5	Very high	95	Very high	87 Å²	87	59.7 Å²	59.7	41%	0.407	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-69.1	-25.3	177	-64.5	80.5	-1.6	0	0	113.7	S110 K114	S110-Q112 PolarHBondContact O-N 3.45Å; S110-Q112 VanDerWaalsContact O-N 3.13Å; Q112-K114 PolarHBondContact O-N 3.38Å; Q112-K114 VanDerWaalsContact O-N 3.15Å
113	S	92.6	Very high	95.1	Very high	47 Å²	47	52.8 Å²	52.8	33%	0.329	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-67.1	-11.1	179.4	71.7	0	0	0	0	114.6	E108 S110 F111 R115	E108-S113 PolarHBondContact O-OG 3.44Å; S110-S113 WeakPolarHBondContact O-CB 3.37Å; S110-S113 PolarHBondContact O-N 2.89Å; S110-S113 PolarHBondContact O-OG 2.77Å; S110-S113 PolarHBondContact OG-N 2.73Å; F111-S113 VanDerWaalsContact C-N 3.35Å; S113-R115 PolarHBondContact O-N 3.34Å
114	K	90.9	Very high	95.2	Very high	167 Å²	167	51.3 Å²	51.3	73%	0.726	27%	0.268	S	S	*	.			trans	54.2	14.9	-179.6	-63.1	-176.5	-178.6	-178.2	0	116	Q112	Q112-K114 PolarHBondContact O-N 3.38Å; Q112-K114 VanDerWaalsContact O-N 3.15Å
115	R	93.8	Very high	95.2	Very high	100 Å²	100	51 Å²	51	38%	0.377	27%	0.266	S	S	.	.			trans	-59.9	160.4	171.3	-65.3	-175.7	-179.3	-171.3	5.2	112	R67 E108 Y109 S113 E117	R67-R115 PolarHBondContact NE-O 2.74Å; E108-R115 PolarHBondContact O-NE 2.9Å; E108-R115 IonicContact OE2-CZ 2.74Å; E108-R115 IonicContact OE2-NH1 3.18Å; E108-R115 PolarHBondContact OE2-NH1 3Å; E108-R115 IonicContact OE2-NH2 3.28Å; Y109-R115 HydrophobicContact CD1-CB 4.43Å; S113-R115 PolarHBondContact O-N 3.34Å; R115-E117 PolarHBondContact O-N 3.46Å; R115-E117 VanDerWaalsContact O-N 3.07Å
116	D	94.6	Very high	95.3	Very high	144 Å²	144	53.1 Å²	53.1	77%	0.77	25%	0.25	S	S	*	.	S	Bend	trans	-61.3	-14.8	177.1	-59.3	-37.5	0	0	0	113.9	R67	R67-D116 VanDerWaalsContact CB-O 3.24Å; R67-D116 WeakPolarHBondContact CB-O 3.45Å; R67-D116 PolarHBondContact N-O 2.99Å
117	E	94.9	Very high	95.2	Very high	63 Å²	63	51.1 Å²	51.1	29%	0.294	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	152.9	173.9	-72.6	-167.7	98.6	0	0	111.8	T64 I65 Y109 R115	T64-E117 WeakPolarHBondContact CB-OE1 3.47Å; T64-E117 HydrophobicContact CG2-CB 4.17Å; T64-E117 PolarHBondContact OG1-OE1 3.17Å; I65-E117 WeakPolarHBondContact O-CA 3.41Å; Y109-E117 HydrophobicContact CD1-CB 3.86Å; Y109-E117 HydrophobicContact CE1-CB 4.3Å; R115-E117 PolarHBondContact O-N 3.46Å; R115-E117 VanDerWaalsContact O-N 3.07Å
118	V	96	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.9	178.8	179.3	0	0	0	0	109.8	T64 I65 R67 P82 F111	T64-V118 CarbonylContact C-O 3.48Å; T64-V118 WeakPolarHBondContact CA-O 3.46Å; I65-V118 PolarHBondContact N-O 3.3Å; I65-V118 PolarHBondContact O-N 3.42Å; R67-V118 HydrophobicContact CB-CG2 4.01Å; R67-V118 HydrophobicContact CG-CG2 4.12Å; P82-V118 HydrophobicContact CB-CG1 4.19Å; P82-V118 HydrophobicContact CG-CG1 4.3Å; F111-V118 HydrophobicContact CB-CG1 4.26Å; F111-V118 HydrophobicContact CD2-CG1 3.9Å; F111-V118 HydrophobicContact CD2-CG2 4.05Å
119	C	97.5	Very high	94.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	129.9	171.1	-170.4	0	0	0	0	110.6	V63 Y109 H124 Y125	V63-C119 CarbonylContact O-C 3.51Å; V63-C119 VanDerWaalsContact O-CA 3.28Å; V63-C119 WeakPolarHBondContact O-CA 3.42Å; Y109-C119 VanDerWaalsContact O-CB 3.29Å; Y109-C119 WeakPolarHBondContact O-CB 3.41Å; Y109-C119 PolarHBondContact O-N 3.4Å; C119-H124 PolarHBondContact SG-ND1 2.8Å; C119-Y125 WeakPolarHBondContact O-CE2 3.19Å; C119-Y125 PolarHBondContact O-OH 3.17Å
120	I	96.7	Very high	93.8	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.254	C	S	.	.			trans	-117.7	0.8	178.6	60.7	150.8	0	0	0	112.8	L36 V63 I65 P82 Y86 P122	L36-I120 HydrophobicContact CD1-CD1 3.36Å; L36-I120 HydrophobicContact CD2-CD1 3.61Å; L36-I120 HydrophobicContact CG-CD1 4.11Å; V63-I120 HydrophobicContact CB-CG1 4.14Å; V63-I120 HydrophobicContact CG1-CD1 3.93Å; V63-I120 HydrophobicContact CG1-CG1 3.8Å; V63-I120 WeakPolarHBondContact O-CG1 3.34Å; V63-I120 PolarHBondContact O-N 3.27Å; I65-I120 HydrophobicContact CD1-CG2 4.26Å; I65-I120 HydrophobicContact CG1-CG2 4.05Å; I65-I120 HydrophobicContact CG2-CD1 4.12Å; I65-I120 HydrophobicContact CG2-CG1 4.5Å; I65-I120 HydrophobicContact CG2-CG2 4.49Å; P82-I120 HydrophobicContact CB-CG2 3.89Å; Y86-I120 HydrophobicContact CD2-CB 3.55Å; Y86-I120 HydrophobicContact CD2-CD1 4Å; Y86-I120 HydrophobicContact CD2-CG1 4.42Å; Y86-I120 HydrophobicContact CD2-CG2 3.5Å; Y86-I120 HydrophobicContact CE2-CB 4.19Å; Y86-I120 HydrophobicContact CE2-CD1 4.07Å; Y86-I120 HydrophobicContact CE2-CG2 3.83Å; Y86-I120 HydrophobicContact CG-CB 4.26Å; Y86-I120 HydrophobicContact CG-CD1 4.49Å; I120-P122 WeakPolarHBondContact O-CD 3.35Å; I120-P122 VanDerWaalsContact O-N 3.15Å
121	N	96.6	Very high	92.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.268	C	S	.	.			trans	-59.4	115.5	172.2	179.6	-17.9	0	0	0	108	T60 R61 V63 Y123 H124 Y125	T60-N121 PolarHBondContact OG1-ND2 3.46Å; R61-N121 PolarHBondContact O-ND2 3.18Å; R61-N121 VanDerWaalsContact O-ND2 3.09Å; V63-N121 HydrophobicContact CB-CB 4.27Å; V63-N121 HydrophobicContact CG2-CB 4.28Å; N121-Y123 PolarHBondContact O-N 2.78Å; N121-Y123 PolarHBondContact OD1-N 3.25Å; N121-H124 HydrophobicContact CB-CB 4.21Å; N121-H124 PolarHBondContact ND2-CD2 2.66Å; N121-H124 PolarHBondContact ND2-NE2 3.5Å; N121-H124 WeakPolarHBondContact O-CB 3.36Å; N121-H124 PolarHBondContact O-N 2.9Å; N121-H124 VanDerWaalsContact O-N 3.08Å; N121-Y125 WeakPolarHBondContact O-CD2 3.32Å
122	P	96.6	Very high	92.3	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-71.2	-16.2	-172.3	31	-36.5	0	0	0	112.7	L53 W90 R91 I120 H124	L53-P122 HydrophobicContact CD2-CG 3.84Å; W90-P122 HydrophobicContact CB-CB 4.46Å; W90-P122 HydrophobicContact CB-CG 4.06Å; W90-P122 HydrophobicContact CE3-CG 4.31Å; R91-P122 WeakPolarHBondContact CD-O 3.03Å; R91-P122 HydrophobicContact CG-CB 4.02Å; R91-P122 PolarHBondContact NH1-O 2.89Å; I120-P122 WeakPolarHBondContact O-CD 3.35Å; I120-P122 VanDerWaalsContact O-N 3.15Å; P122-H124 VanDerWaalsContact C-N 3.34Å
123	Y	97	Very high	91.8	Very high	14 Å²	14	59.3 Å²	59.3	6%	0.055	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-85.8	-6.4	174.5	-61.6	-79.6	0	0	0	113.3	A52 L53 Q56 R91 N121 Y125	A52-Y123 HydrophobicContact CB-CD2 4.5Å; A52-Y123 VanDerWaalsContact O-CD2 3.22Å; A52-Y123 WeakPolarHBondContact O-CD2 3.2Å; A52-Y123 WeakPolarHBondContact O-CE2 3.42Å; L53-Y123 HydrophobicContact CD2-CE2 4.25Å; Q56-Y123 HydrophobicContact CB-CD1 4.14Å; Q56-Y123 HydrophobicContact CB-CE1 3.53Å; Q56-Y123 HydrophobicContact CB-CE2 4.37Å; Q56-Y123 HydrophobicContact CG-CE1 4.08Å; Q56-Y123 HydrophobicContact CG-CE2 4.45Å; Q56-Y123 WeakPolarHBondContact CG-OH 3.36Å; Q56-Y123 VanDerWaalsContact O-CD1 3.26Å; Q56-Y123 WeakPolarHBondContact O-CD1 3.47Å; R91-Y123 HydrophobicContact CG-CE1 4.27Å; N121-Y123 PolarHBondContact O-N 2.78Å; N121-Y123 PolarHBondContact OD1-N 3.25Å; Y123-Y125 PolarHBondContact O-N 2.84Å
124	H	97.7	Very high	91.2	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.019	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-82.8	2.1	170.4	-75.4	-161.6	0	0	0	114	P58 T60 C62 P103 I104 C107 C119 N121 P122	P58-H124 PolarHBondContact O-NE2 2.91Å; T60-H124 PolarHBondContact O-CE1 3.17Å; T60-H124 PolarHBondContact O-NE2 3.14Å; C62-H124 PolarHBondContact N-CE1 3.42Å; C62-H124 VanDerWaalsContact SG-CE1 3.56Å; C62-H124 PolarHBondContact SG-ND1 3.01Å; P103-H124 CarbonylContact C-O 3.54Å; P103-H124 WeakPolarHBondContact CA-O 3.35Å; I104-H124 HydrophobicContact CD1-CB 4.36Å; I104-H124 HydrophobicContact CG1-CB 4.37Å; I104-H124 PolarHBondContact N-O 2.83Å; C107-H124 HydrophobicContact CB-CB 3.92Å; C119-H124 PolarHBondContact SG-ND1 2.8Å; N121-H124 HydrophobicContact CB-CB 4.21Å; N121-H124 PolarHBondContact ND2-CD2 2.66Å; N121-H124 PolarHBondContact ND2-NE2 3.5Å; N121-H124 WeakPolarHBondContact O-CB 3.36Å; N121-H124 PolarHBondContact O-N 2.9Å; N121-H124 VanDerWaalsContact O-N 3.08Å; P122-H124 VanDerWaalsContact C-N 3.34Å
125	Y	97.3	Very high	90.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.8	173.5	-59.5	-88.5	0	0	0	109.5	H83 R91 L101 R102 P103 F111 C119 N121 Y123	H83-Y125 HydrophobicContact CB-CD2 4.44Å; H83-Y125 HydrophobicContact CB-CE1 4.07Å; H83-Y125 HydrophobicContact CB-CE2 3.69Å; H83-Y125 VanDerWaalsContact CB-CZ 3.47Å; H83-Y125 WeakPolarHBondContact CB-OH 3.42Å; H83-Y125 AromaticContact CD2-CE1 3.85Å; R91-Y125 PolarHBondContact NH1-O 3.07Å; L101-Y125 HydrophobicContact CB-CD1 4.31Å; L101-Y125 HydrophobicContact CD1-CD1 4.48Å; L101-Y125 HydrophobicContact CD1-CG 4.4Å; R102-Y125 CarbonylContact O-C 3.57Å; R102-Y125 WeakPolarHBondContact O-CA 3.22Å; P103-Y125 HydrophobicContact CB-CD1 4.24Å; P103-Y125 HydrophobicContact CB-CE1 4.19Å; F111-Y125 PolarHBondContact N-OH 2.77Å; C119-Y125 WeakPolarHBondContact O-CE2 3.19Å; C119-Y125 PolarHBondContact O-OH 3.17Å; N121-Y125 WeakPolarHBondContact O-CD2 3.32Å; Y123-Y125 PolarHBondContact O-N 2.84Å
126	R	95.2	Very high	90.1	Very high	160 Å²	160	51.8 Å²	51.8	60%	0.604	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.4	167.8	-62.8	-179.3	-170.1	164.3	4.6	107.9	L101 R102 I104	L101-R126 WeakPolarHBondContact CA-O 3.25Å; R102-R126 PolarHBondContact N-O 3.37Å; R102-R126 PolarHBondContact O-N 3.48Å; I104-R126 HydrophobicContact CG2-CG 3.91Å
127	R	93.7	Very high	89.5	Confident	58 Å²	58	48.4 Å²	48.4	22%	0.219	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	143.4	168.9	-160.3	172.4	-167	175.7	2.7	108.1	W92 D94 E100 E129	W92-R127 HydrophobicContact CD2-CB 4.24Å; W92-R127 HydrophobicContact CH2-CB 4.01Å; W92-R127 VanDerWaalsContact CH2-N 3.28Å; W92-R127 HydrophobicContact CZ2-CB 3.64Å; W92-R127 HydrophobicContact CZ3-CB 4.48Å; D94-R127 VanDerWaalsContact CG-NH1 3.29Å; D94-R127 PolarHBondContact O-NH2 2.91Å; D94-R127 IonicContact OD1-CZ 2.92Å; D94-R127 IonicContact OD1-NH1 2.78Å; D94-R127 PolarHBondContact OD1-NH1 2.79Å; D94-R127 VanDerWaalsContact OD1-NH1 3.14Å; D94-R127 IonicContact OD1-NH2 3.19Å; D94-R127 IonicContact OD2-CZ 3.64Å; D94-R127 IonicContact OD2-NH1 3.96Å; D94-R127 PolarHBondContact OD2-NH1 3.46Å; D94-R127 IonicContact OD2-NH2 2.69Å; D94-R127 PolarHBondContact OD2-NH2 2.74Å; E100-R127 CarbonylContact O-C 3.55Å; E100-R127 VanDerWaalsContact O-CA 3.25Å; E100-R127 WeakPolarHBondContact O-CA 3.24Å; E100-R127 IonicContact OE2-CZ 2.62Å; E100-R127 IonicContact OE2-NE 2.81Å; E100-R127 PolarHBondContact OE2-NE 3.13Å; E100-R127 IonicContact OE2-NH2 3.91Å; E100-R127 PolarHBondContact OE2-NH2 2.68Å; R127-E129 PolarHBondContact O-N 2.98Å
128	I	91.2	Very high	88.8	Confident	46 Å²	46	45.4 Å²	45.4	24%	0.236	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-78.5	118.6	171.5	-57.5	-171	0	0	0	107.3	H99 E100 R102 I523	H99-I128 VanDerWaalsContact O-CD1 3.25Å; H99-I128 WeakPolarHBondContact O-CD1 3.13Å; E100-I128 PolarHBondContact O-N 3.46Å; R102-I128 HydrophobicContact CB-CD1 4.5Å; R102-I128 HydrophobicContact CB-CG1 4.25Å; I128-I523 HydrophobicContact CB-CG2 3.98Å; I128-I523 HydrophobicContact CG2-CG2 4.17Å
129	E	85.1	Confident	87.8	Confident	163 Å²	163	47.7 Å²	47.7	76%	0.762	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-93.8	153.1	175.5	-69.3	164.1	-164.3	0	0	109.5	R127	R127-E129 PolarHBondContact O-N 2.98Å
130	N	80.4	Confident	86.5	Confident	61 Å²	61	50.1 Å²	50.1	33%	0.326	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-70.5	127.2	175.6	-67.8	1.3	0	0	0	108.6	V132 E452 G524 G525	N130-V132 PolarHBondContact O-N 3.24Å; N130-E452 PolarHBondContact ND2-OE2 2.74Å; N130-G524 WeakPolarHBondContact OD1-CA 3.4Å; N130-G524 PolarHBondContact OD1-N 3.32Å; N130-G525 PolarHBondContact OD1-N 2.73Å
131	P	79.1	Confident	84.8	Confident	59 Å²	59	54.3 Å²	54.3	38%	0.383	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-65.2	136.4	-179.5	27.3	-33.7	0	0	0	110	L133 G524	P131-L133 PolarHBondContact O-N 2.66Å; P131-G524 WeakPolarHBondContact CD-O 3.07Å
132	V	79.3	Confident	82.7	Confident	149 Å²	149	59.1 Å²	59.1	90%	0.903	31%	0.313	S	S	*	.			trans	-70.9	111.1	170.8	-178.2	0	0	0	0	107.7	N130	N130-V132 PolarHBondContact O-N 3.24Å
133	L	81.4	Confident	80.4	Confident	10 Å²	10	66.8 Å²	66.8	5%	0.052	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-85.9	141	-179.2	-68	169	0	0	0	110.4	P131 Y450 N569 Q570 W630	P131-L133 PolarHBondContact O-N 2.66Å; L133-Y450 HydrophobicContact CB-CD1 4.34Å; L133-Y450 HydrophobicContact CD1-CD1 3.99Å; L133-Y450 HydrophobicContact CD1-CE1 4.03Å; L133-Y450 HydrophobicContact CG-CD1 4.47Å; L133-N569 HydrophobicContact CD1-CB 4.1Å; L133-Q570 HydrophobicContact CD2-CB 4.1Å; L133-Q570 VanDerWaalsContact CD2-CD 3.46Å; L133-Q570 HydrophobicContact CD2-CG 4.39Å; L133-W630 HydrophobicContact CD1-CH2 3.3Å; L133-W630 HydrophobicContact CD1-CZ2 3.44Å; L133-W630 VanDerWaalsContact CD1-CZ2 3.44Å
134	P	80.6	Confident	77.6	Confident	77 Å²	77	72.6 Å²	72.6	50%	0.5	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-64.9	147.7	179.2	28.1	-34.7	0	0	0	110.9
135	P	81.3	Confident	74.5	Confident	73 Å²	73	76 Å²	76	47%	0.474	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-59.1	143.8	171.4	-22.6	33.7	0	0	0	111.9	V448	P135-V448 WeakPolarHBondContact CA-O 3.39Å
136	I	81.1	Confident	71.7	Confident	7 Å²	7	81.1 Å²	81.1	4%	0.036	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.7	176.2	-57.6	179.7	0	0	0	108.3	V138 V448 L576 V580 V634	I136-V138 HydrophobicContact CG2-CG2 4.27Å; I136-V448 PolarHBondContact N-O 2.78Å; I136-V448 PolarHBondContact O-N 3.3Å; I136-L576 HydrophobicContact CD1-CB 4.12Å; I136-L576 HydrophobicContact CD1-CD2 3.54Å; I136-L576 HydrophobicContact CD1-CG 3.74Å; I136-V580 HydrophobicContact CG2-CG2 4.44Å; I136-V634 HydrophobicContact CG2-CG2 4.36Å
137	M	81.8	Confident	68.7	Low	72 Å²	72	79.5 Å²	79.5	36%	0.355	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121	175	-58.3	-56.3	-65.9	0	0	109.6	M445	M137-M445 HydrophobicContact CB-SD 4.19Å; M137-M445 HydrophobicContact CE-CB 3.8Å; M137-M445 HydrophobicContact CE-SD 4.45Å
138	V	80.1	Confident	65.9	Low	0 Å²	0	79.9 Å²	79.9	0%	0	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.4	-179.9	-168.6	0	0	0	0	109.7	I136 R140 M445 T446 V448 V580 V634 Q637 M638	I136-V138 HydrophobicContact CG2-CG2 4.27Å; V138-R140 PolarHBondContact O-N 3.42Å; V138-M445 WeakPolarHBondContact O-CA 3.43Å; V138-T446 PolarHBondContact N-O 2.87Å; V138-T446 PolarHBondContact O-N 3.46Å; V138-V448 HydrophobicContact CG2-CG2 3.85Å; V138-V580 HydrophobicContact CG1-CG1 4.3Å; V138-V634 HydrophobicContact CG1-CG1 4.32Å; V138-V634 HydrophobicContact CG2-CB 4.29Å; V138-V634 HydrophobicContact CG2-CG1 3.97Å; V138-V634 HydrophobicContact CG2-CG2 3.93Å; V138-Q637 HydrophobicContact CB-CB 4.21Å; V138-Q637 HydrophobicContact CG1-CB 3.78Å; V138-M638 HydrophobicContact CG1-CG 3.72Å
139	P	75.4	Confident	63.3	Low	49 Å²	49	84.3 Å²	84.3	32%	0.318	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	126.1	173	-18.8	31.6	0	0	0	110.6
140	R	69.8	Low	61.1	Low	51 Å²	51	82.2 Å²	82.2	19%	0.192	52%	0.517	C	S	.	.			trans	-73.2	131.5	169.4	-66.8	-172.9	174.9	164.4	4	109.5	V138 V142 D437 E444 T446	V138-R140 PolarHBondContact O-N 3.42Å; R140-V142 PolarHBondContact O-N 3.31Å; R140-V142 VanDerWaalsContact O-N 3.16Å; R140-D437 IonicContact CZ-OD1 3.64Å; R140-D437 IonicContact CZ-OD2 2.92Å; R140-D437 VanDerWaalsContact NH1-CG 3.33Å; R140-D437 IonicContact NH1-OD1 3.28Å; R140-D437 IonicContact NH1-OD2 2.65Å; R140-D437 PolarHBondContact NH1-OD2 3.27Å; R140-D437 IonicContact NH2-OD1 2.91Å; R140-D437 PolarHBondContact NH2-OD1 2.92Å; R140-D437 IonicContact NH2-OD2 2.67Å; R140-D437 PolarHBondContact NH2-OD2 3.22Å; R140-E444 HydrophobicContact CB-CB 4.31Å; R140-E444 WeakPolarHBondContact CB-O 3.29Å; R140-E444 IonicContact CZ-OE1 2.92Å; R140-E444 PolarHBondContact N-O 3.32Å; R140-E444 IonicContact NE-OE1 3.6Å; R140-E444 IonicContact NH1-OE1 3.09Å; R140-E444 PolarHBondContact NH1-OE1 3.11Å; R140-T446 PolarHBondContact NE-OG1 3.3Å; R140-T446 PolarHBondContact NH2-OG1 3.47Å
141	T	60.6	Low	59	Low	88 Å²	88	85.4 Å²	85.4	54%	0.54	53%	0.533	S	S	.	.			trans	-74.7	99	159	50.6	0	0	0	0	108.2	N143	T141-N143 PolarHBondContact O-N 3.38Å
142	V	53.1	Low	57.4	Low	100 Å²	100	89.9 Å²	89.9	61%	0.606	55%	0.554	S	S	*	*			trans	-60	102.2	170.7	-102.3	0	0	0	0	108.9	R140 N144	R140-V142 PolarHBondContact O-N 3.31Å; R140-V142 VanDerWaalsContact O-N 3.16Å; V142-N144 PolarHBondContact O-N 3.36Å
143	N	47.5	Very low	55.6	Low	162 Å²	162	89.1 Å²	89.1	87%	0.866	55%	0.545	S	S	*	.			trans	-76.1	79.4	-179.6	-161.1	15	0	0	0	108.4	T141 G145	T141-N143 PolarHBondContact O-N 3.38Å; N143-G145 PolarHBondContact O-N 2.7Å
144	N	36.9	Very low	53.7	Low	136 Å²	136	95.4 Å²	95.4	73%	0.727	58%	0.579	S	S	*	*			trans	-76	68	-166.3	-135.8	27.1	0	0	0	111.6	V142 T146	V142-N144 PolarHBondContact O-N 3.36Å; N144-T146 PolarHBondContact O-N 2.97Å
145	G	34.1	Very low	51.9	Low	74 Å²	74	97.1 Å²	97.1	76%	0.763	59%	0.588	S	S	*	*			trans	-74.2	56.2	177.9	0	0	0	0	0	113.3	N143	N143-G145 PolarHBondContact O-N 2.7Å
146	T	38.3	Very low	50	Low	108 Å²	108	103 Å²	103	66%	0.663	61%	0.608	S	S	*	*			trans	-135.1	103	175.5	28.8	0	0	0	0	112.1	N144 G148	N144-T146 PolarHBondContact O-N 2.97Å; T146-G148 PolarHBondContact O-N 2.93Å
147	S	32.9	Very low	48	Very low	126 Å²	126	114.3 Å²	114.3	88%	0.881	65%	0.651	S	S	*	*			trans	-15	104.8	161.9	-52.2	0	0	0	0	117.1
148	G	33.6	Very low	46	Very low	67 Å²	67	114.5 Å²	114.5	69%	0.691	67%	0.671	S	S	*	*			trans	-114.9	77.8	166.2	0	0	0	0	0	111.7	T146 T150	T146-G148 PolarHBondContact O-N 2.93Å; G148-T150 VanDerWaalsContact C-N 3.35Å; G148-T150 PolarHBondContact O-N 3.43Å; G148-T150 VanDerWaalsContact O-N 3.07Å
149	V	36.7	Very low	44.2	Very low	138 Å²	138	120.8 Å²	120.8	84%	0.836	71%	0.709	S	S	*	*			trans	-79.4	84.9	172.1	-178.5	0	0	0	0	109
150	T	40.1	Very low	42.6	Very low	120 Å²	120	124.3 Å²	124.3	74%	0.736	73%	0.73	S	S	*	*			trans	-86.1	110.9	168	46.5	0	0	0	0	109.7	G148 D152	G148-T150 VanDerWaalsContact C-N 3.35Å; G148-T150 PolarHBondContact O-N 3.43Å; G148-T150 VanDerWaalsContact O-N 3.07Å; T150-D152 PolarHBondContact O-N 3.16Å
151	N	36.5	Very low	41.1	Very low	127 Å²	127	130.5 Å²	130.5	68%	0.679	76%	0.761	S	S	*	*			trans	-93.1	72.1	-169.6	-169.6	28	0	0	0	111.1	N153	N151-N153 PolarHBondContact O-N 3.33Å
152	D	44.1	Very low	40.2	Very low	153 Å²	153	131.2 Å²	131.2	82%	0.818	77%	0.77	S	S	*	*			trans	-79.6	84	-178.3	-78	-32.3	0	0	0	112.5	T150 N154	T150-D152 PolarHBondContact O-N 3.16Å; D152-N154 PolarHBondContact O-N 2.79Å
153	N	41.8	Very low	39.6	Very low	134 Å²	134	131 Å²	131	72%	0.717	77%	0.773	S	S	*	*			trans	-72.6	100.1	161.6	-79.4	-57.4	0	0	0	110.4	N151	N151-N153 PolarHBondContact O-N 3.33Å
154	N	41	Very low	39.2	Very low	142 Å²	142	129.6 Å²	129.6	76%	0.759	77%	0.77	S	S	*	*			trans	-158	113.8	141.9	-120.6	-11.2	0	0	0	115.5	D152	D152-N154 PolarHBondContact O-N 2.79Å
155	T	42.5	Very low	39.4	Very low	112 Å²	112	132.1 Å²	132.1	69%	0.687	78%	0.778	S	S	*	*			trans	33.6	103.5	141	58.5	0	0	0	0	119.5
156	H	43.1	Very low	39.5	Very low	196 Å²	196	139 Å²	139	91%	0.907	78%	0.78	S	S	*	*			trans	-142.3	130.7	130	-123.2	-83.7	0	0	0	111.8
157	R	39.1	Very low	39.5	Very low	246 Å²	246	144.8 Å²	144.8	93%	0.928	79%	0.792	S	S	*	*			trans	-76.5	134	178.7	-82	171.2	155.4	174.2	-8.3	110.8
158	G	39	Very low	39.7	Very low	76 Å²	76	142.7 Å²	142.7	78%	0.784	79%	0.79	S	S	*	*			trans	-156.2	127.8	162.9	0	0	0	0	0	108.8
159	V	42.7	Very low	39.7	Very low	131 Å²	131	151.8 Å²	151.8	79%	0.794	80%	0.803	S	S	*	*			trans	-116.9	124.4	-168.5	173.6	0	0	0	0	110.6
160	T	40.3	Very low	39.6	Very low	123 Å²	123	148.7 Å²	148.7	76%	0.755	80%	0.799	S	S	*	*			trans	173.9	117.4	144.3	31.2	0	0	0	0	107.1
161	E	39.9	Very low	39.5	Very low	181 Å²	181	147.8 Å²	147.8	85%	0.846	80%	0.798	S	S	*	*				52	125.1	88.2	-66.6	-174.1	171.5	0	0	113.9
162	S	41.2	Very low	39.4	Very low	103 Å²	103	147.1 Å²	147.1	72%	0.72	80%	0.803	S	S	*	*			cis	-165.9	166.7	1	62.4	0	0	0	0	112.2
163	S	39.6	Very low	39	Very low	97 Å²	97	148.6 Å²	148.6	68%	0.678	80%	0.803	S	S	*	*			trans	96.2	108.1	142.9	-55.7	0	0	0	0	121.2
164	T	40.8	Very low	38.4	Very low	131 Å²	131	145.9 Å²	145.9	80%	0.804	81%	0.806	S	S	*	*			trans	43.9	138.8	130.4	26.8	0	0	0	0	121.3
165	E	39.3	Very low	38.2	Very low	189 Å²	189	144 Å²	144	88%	0.883	80%	0.804	S	S	*	*			cis	-144.3	-176.3	27.2	-68.7	-162.4	118.4	0	0	114.8
166	R	37.3	Very low	37.9	Very low	218 Å²	218	147.8 Å²	147.8	82%	0.823	81%	0.814	S	S	*	*			trans	-98.8	156	-174.5	-51.9	165.7	-174	169.4	2.1	111.8
167	Y	38.7	Very low	37.6	Very low	231 Å²	231	147.3 Å²	147.3	91%	0.906	81%	0.812	S	S	*	*				166	148.4	117.3	-97.3	-73.5	0	0	0	111.3
168	G	36.3	Very low	37.3	Very low	81 Å²	81	140.7 Å²	140.7	84%	0.835	80%	0.803	S	S	*	*			trans	123.6	74.3	167.9	0	0	0	0	0	116
169	R	34.1	Very low	37.2	Very low	259 Å²	259	147.3 Å²	147.3	98%	0.977	80%	0.804	S	S	*	*			trans	-99.4	121.7	171.5	-169.9	-172	-162.4	-144.8	7.3	108.8
170	G	35	Very low	36.8	Very low	73 Å²	73	151.7 Å²	151.7	75%	0.753	81%	0.808	S	S	*	*			trans	-165.3	101.6	-176.4	0	0	0	0	0	116.6
171	S	38	Very low	36.7	Very low	101 Å²	101	149.2 Å²	149.2	71%	0.706	80%	0.796	S	S	*	*			trans	48.5	120.2	157.1	-143.3	0	0	0	0	121
172	S	33.1	Very low	36.6	Very low	113 Å²	113	144.5 Å²	144.5	79%	0.79	78%	0.783	S	S	*	*			trans	-66	136.3	155	-179.8	0	0	0	0	110.7
173	F	36.2	Very low	36.4	Very low	184 Å²	184	147.2 Å²	147.2	81%	0.807	79%	0.786	S	S	*	*			trans	-148.7	132.9	155.4	-89.5	-76	0	0	0	108.8
174	G	29.9	Very low	36.5	Very low	76 Å²	76	147 Å²	147	78%	0.784	77%	0.774	S	S	*	*			trans	-74	134.1	178.6	0	0	0	0	0	111.9
175	S	35.3	Very low	36.3	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	75%	0.748	S	S	*	*			trans	-107	111.7	176.6	-82.5	0	0	0	0	111.5	H177	S175-H177 PolarHBondContact O-N 3.41Å; S175-H177 VanDerWaalsContact O-N 3.14Å
176	H	36.4	Very low	36.3	Very low	190 Å²	190	141.7 Å²	141.7	88%	0.88	74%	0.742	S	S	*	*			trans	-60.2	109.3	162.1	-78.2	-115.7	0	0	0	109.7	S178	H176-S178 PolarHBondContact O-N 3.23Å
177	H	36.9	Very low	36.4	Very low	187 Å²	187	136.5 Å²	136.5	87%	0.866	72%	0.723	S	S	*	*			trans	-93.2	79.3	172	-110.7	-91.8	0	0	0	111	S175	S175-H177 PolarHBondContact O-N 3.41Å; S175-H177 VanDerWaalsContact O-N 3.14Å
178	S	32.5	Very low	36.5	Very low	106 Å²	106	130.7 Å²	130.7	74%	0.741	70%	0.704	S	S	*	*			trans	-129.2	90.6	161.3	-172.2	0	0	0	0	109.3	H176	H176-S178 PolarHBondContact O-N 3.23Å
179	R	36.9	Very low	36.6	Very low	215 Å²	215	132.6 Å²	132.6	81%	0.811	69%	0.691	S	S	*	*			trans	-141.8	-5.5	175.6	-70.5	-163.2	-168.2	-174.3	6.8	115.4	S181 S182	R179-S181 VanDerWaalsContact C-N 3.3Å; R179-S181 PolarHBondContact O-N 3.08Å; R179-S182 WeakPolarHBondContact O-CB 3.38Å; R179-S182 PolarHBondContact O-N 2.78Å
180	Y	36	Very low	36.7	Very low	223 Å²	223	122.6 Å²	122.6	88%	0.875	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-13.8	-178.9	-122.3	-92.9	0	0	0	114.3	S182	Y180-S182 PolarHBondContact O-N 2.99Å
181	S	38	Very low	37.1	Very low	71 Å²	71	123 Å²	123	50%	0.497	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.3	-4	175.1	-158	0	0	0	0	113.9	R179 N185	R179-S181 VanDerWaalsContact C-N 3.3Å; R179-S181 PolarHBondContact O-N 3.08Å; S181-N185 WeakPolarHBondContact O-CB 3.26Å; S181-N185 PolarHBondContact O-N 2.88Å; S181-N185 PolarHBondContact O-ND2 2.77Å; S181-N185 PolarHBondContact OG-ND2 3.01Å
182	S	37.5	Very low	37.1	Very low	82 Å²	82	126.4 Å²	126.4	57%	0.573	66%	0.658	S	S	*	*	H	α-helix	trans	-71.2	-34.7	-169.5	-171.3	0	0	0	0	115	R179 Y180	R179-S182 WeakPolarHBondContact O-CB 3.38Å; R179-S182 PolarHBondContact O-N 2.78Å; Y180-S182 PolarHBondContact O-N 2.99Å
183	M	37.3	Very low	37.3	Very low	160 Å²	160	129.3 Å²	129.3	79%	0.788	66%	0.659	S	S	*	*	H	α-helix	trans	-81.8	-20.5	179.9	-70.4	-136.1	74.1	0	0	113.9
184	H	41.1	Very low	37.4	Very low	92 Å²	92	128.4 Å²	128.4	43%	0.426	66%	0.658	S	S	.	*	H	α-helix	trans	-89.6	-30.8	173.6	-143.8	69	0	0	0	111.9	Q186 Y187 Q188	H184-Q186 VanDerWaalsContact C-N 3.3Å; H184-Q186 PolarHBondContact O-N 3.02Å; H184-Y187 WeakPolarHBondContact O-CA 3.08Å; H184-Y187 WeakPolarHBondContact O-CB 3.41Å; H184-Y187 PolarHBondContact O-N 2.94Å; H184-Q188 PolarHBondContact O-N 2.76Å
185	N	36.3	Very low	37.9	Very low	50 Å²	50	132.6 Å²	132.6	27%	0.267	66%	0.656	S	S	.	*	H	α-helix	trans	-63.6	-29.6	174.9	-97.5	-83	0	0	0	114	S181 Y187 Q188 Q189	S181-N185 WeakPolarHBondContact O-CB 3.26Å; S181-N185 PolarHBondContact O-N 2.88Å; S181-N185 PolarHBondContact O-ND2 2.77Å; S181-N185 PolarHBondContact OG-ND2 3.01Å; N185-Y187 PolarHBondContact O-N 3.1Å; N185-Q188 PolarHBondContact O-N 2.84Å; N185-Q189 WeakPolarHBondContact O-CB 3.49Å; N185-Q189 WeakPolarHBondContact O-CG 3.37Å; N185-Q189 PolarHBondContact O-N 3.4Å; N185-Q189 PolarHBondContact OD1-NE2 3.33Å
186	Q	39.2	Very low	37.9	Very low	159 Å²	159	136 Å²	136	74%	0.743	66%	0.661	S	S	*	*	H	α-helix	trans	-63.9	-17.8	170.1	-100.7	-175.9	-15.2	0	0	113.5	H184	H184-Q186 VanDerWaalsContact C-N 3.3Å; H184-Q186 PolarHBondContact O-N 3.02Å
187	Y	38.9	Very low	37.9	Very low	110 Å²	110	134.4 Å²	134.4	43%	0.431	66%	0.658	S	S	.	*	H	α-helix	trans	-87.2	-31.2	174.8	-132	-100.8	0	0	0	112.6	H184 N185 Y460 H623	H184-Y187 WeakPolarHBondContact O-CA 3.08Å; H184-Y187 WeakPolarHBondContact O-CB 3.41Å; H184-Y187 PolarHBondContact O-N 2.94Å; N185-Y187 PolarHBondContact O-N 3.1Å; Y187-Y460 WeakPolarHBondContact CE1-OH 3.34Å; Y187-Y460 PolarHBondContact OH-OH 3.06Å; Y187-H623 PolarHBondContact OH-ND1 2.73Å
188	Q	41.3	Very low	37.7	Very low	108 Å²	108	133.8 Å²	133.8	51%	0.505	66%	0.661	S	S	.	*	H	α-helix	trans	-91.8	-34.3	178.8	-83.3	177.1	-24.1	0	0	114.2	H184 N185 G190 L191	H184-Q188 PolarHBondContact O-N 2.76Å; N185-Q188 PolarHBondContact O-N 2.84Å; Q188-G190 PolarHBondContact O-N 2.86Å; Q188-L191 WeakPolarHBondContact O-CB 3.22Å; Q188-L191 PolarHBondContact O-N 3.19Å
189	Q	39	Very low	37.8	Very low	121 Å²	121	133.2 Å²	133.2	57%	0.565	66%	0.663	S	S	*	*	H	α-helix	trans	-69.4	-19	179.9	-69.1	-178.6	3.5	0	0	113.1	N185 L191	N185-Q189 WeakPolarHBondContact O-CB 3.49Å; N185-Q189 WeakPolarHBondContact O-CG 3.37Å; N185-Q189 PolarHBondContact O-N 3.4Å; N185-Q189 PolarHBondContact OD1-NE2 3.33Å; Q189-L191 VanDerWaalsContact C-N 3.27Å; Q189-L191 PolarHBondContact O-N 2.95Å
190	G	35.6	Very low	37.7	Very low	50 Å²	50	130.9 Å²	130.9	52%	0.515	67%	0.665	S	S	.	*	H	α-helix	trans	-68.1	-22	168.2	0	0	0	0	0	114.2	Q188	Q188-G190 PolarHBondContact O-N 2.86Å
191	L	42.6	Very low	37.6	Very low	82 Å²	82	129 Å²	129	43%	0.429	67%	0.665	S	S	.	*	H	α-helix	trans	-87.3	-15.6	-175.4	-79	156.5	0	0	0	114.1	Q188 Q189	Q188-L191 WeakPolarHBondContact O-CB 3.22Å; Q188-L191 PolarHBondContact O-N 3.19Å; Q189-L191 VanDerWaalsContact C-N 3.27Å; Q189-L191 PolarHBondContact O-N 2.95Å
192	Q	39.5	Very low	37.3	Very low	172 Å²	172	130.9 Å²	130.9	80%	0.804	68%	0.677	S	S	*	*	H	α-helix	trans	-104.6	-19.3	179.7	-73.7	-179	-11.5	0	0	114.7
193	Q	37.4	Very low	37.3	Very low	174 Å²	174	136.2 Å²	136.2	81%	0.813	69%	0.693	S	S	*	*	S	Bend	trans	-90.3	-4.9	-178.6	-74.8	-170.7	6.5	0	0	115.8
194	Q	37.7	Very low	37.3	Very low	165 Å²	165	136.8 Å²	136.8	77%	0.771	69%	0.693	S	S	*	*	S	Bend	trans	-92.7	-2.3	-179.4	-132.7	169.8	8.2	0	0	114.7	H196	Q194-H196 PolarHBondContact O-N 3.1Å
195	H	40.1	Very low	37.1	Very low	163 Å²	163	138.4 Å²	138.4	76%	0.755	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	4.8	-175	-93.5	-80.6	0	0	0	116.4
196	H	36.7	Very low	36.9	Very low	177 Å²	177	140.8 Å²	140.8	82%	0.819	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.9	6.2	-177.3	-140.4	-54.8	0	0	0	116.1	Q194	Q194-H196 PolarHBondContact O-N 3.1Å
197	L	35.1	Very low	36.8	Very low	156 Å²	156	140.1 Å²	140.1	82%	0.817	74%	0.74	S	S	*	*	S	Bend	trans	-137.3	62.7	-178.6	-73.9	174.1	0	0	0	113
198	N	32.9	Very low	36.8	Very low	173 Å²	173	140.1 Å²	140.1	93%	0.925	76%	0.762	S	S	*	*			trans	-160.3	52.8	159.3	-101	-29.4	0	0	0	111.9
199	A	33.7	Very low	36.5	Very low	95 Å²	95	138 Å²	138	79%	0.785	77%	0.77	S	S	*	*			trans	-140.9	64.6	174.7	0	0	0	0	0	110.7
200	L	35.6	Very low	36.5	Very low	166 Å²	166	140.4 Å²	140.4	87%	0.869	79%	0.785	S	S	*	*			trans	-168.6	147.9	165.6	-105.1	161	0	0	0	110.2
201	Q	34.3	Very low	36.4	Very low	184 Å²	184	144.9 Å²	144.9	86%	0.86	80%	0.798	S	S	*	*			trans	75.9	79.1	171.8	-57.4	-177.3	10.7	0	0	118.5
202	S	32	Very low	36.2	Very low	109 Å²	109	148.5 Å²	148.5	76%	0.762	82%	0.818	S	S	*	*			trans	-124.2	88.5	148.4	51	0	0	0	0	110.6
203	H	37.4	Very low	36	Very low	195 Å²	195	144.9 Å²	144.9	90%	0.903	81%	0.811	S	S	*	*			trans	-141.4	105.5	168.4	-86	-63.2	0	0	0	112.7
204	H	36.1	Very low	36.1	Very low	171 Å²	171	144.9 Å²	144.9	79%	0.792	81%	0.813	S	S	*	*			trans	-61.5	160.7	155.5	-95.4	-67.3	0	0	0	110.5
205	P	37.6	Very low	36.2	Very low	126 Å²	126	143.8 Å²	143.8	82%	0.818	81%	0.811	S	S	*	*				-151.1	179.6	59.3	40.4	-18.3	0	0	0	118.7
206	S	32.1	Very low	36.3	Very low	100 Å²	100	144.8 Å²	144.8	70%	0.699	82%	0.818	S	S	*	*			trans	-96.7	150	-174.2	-21.3	0	0	0	0	113.6
207	T	37.7	Very low	36.5	Very low	146 Å²	146	139.9 Å²	139.9	90%	0.896	82%	0.816	S	S	*	*			trans	-158.8	153.3	151.3	34.6	0	0	0	0	112.2
208	A	38.3	Very low	36.8	Very low	109 Å²	109	139.5 Å²	139.5	90%	0.901	82%	0.815	S	S	*	*			trans	-14.7	158.8	167.9	0	0	0	0	0	120.2
209	G	34.8	Very low	37.2	Very low	65 Å²	65	139 Å²	139	67%	0.67	81%	0.812	S	S	*	*			cis	143	165.5	7.6	0	0	0	0	0	110.9
210	L	39.1	Very low	37.4	Very low	170 Å²	170	140.1 Å²	140.1	89%	0.89	81%	0.812	S	S	*	*			trans	86.1	120.8	173.8	-55	172.7	0	0	0	119.7
211	N	33.9	Very low	37.5	Very low	145 Å²	145	135.1 Å²	135.1	78%	0.775	80%	0.801	S	S	*	*			trans	-17.6	148.2	154.4	-42.9	-15.5	0	0	0	118.6
212	D	38.4	Very low	37.7	Very low	158 Å²	158	132.3 Å²	132.3	85%	0.845	80%	0.802	S	S	*	*				-159.4	-178.9	97.2	-135.6	-36.6	0	0	0	113.4
213	S	35.9	Very low	37.8	Very low	95 Å²	95	135.7 Å²	135.7	66%	0.664	81%	0.806	S	S	*	*			trans	-109	177.4	-153.1	-45.8	0	0	0	0	115.6
214	M	38.4	Very low	38.1	Very low	174 Å²	174	130.3 Å²	130.3	86%	0.857	79%	0.788	S	S	*	*			trans	118	142.4	131	-117.7	179.2	-143.7	0	0	120.3
215	I	40.9	Very low	38.2	Very low	142 Å²	142	129.2 Å²	129.2	73%	0.728	79%	0.788	S	S	*	*			trans	77.3	98.9	161.9	-58.1	166.6	0	0	0	115
216	M	41.8	Very low	38.1	Very low	184 Å²	184	127.5 Å²	127.5	91%	0.906	78%	0.779	S	S	*	*				83.7	128.7	65.1	-72.9	-70.9	-163.5	0	0	114.5
217	G	41.6	Very low	38.3	Very low	74 Å²	74	130.1 Å²	130.1	76%	0.763	79%	0.785	S	S	*	*			trans	165.8	102.6	175.7	0	0	0	0	0	112.5
218	D	40.3	Very low	38	Very low	149 Å²	149	127.5 Å²	127.5	80%	0.797	78%	0.778	S	S	*	*			trans	-74	158.4	-175.9	-52.9	-83.4	0	0	0	114.4
219	D	41.5	Very low	37.7	Very low	161 Å²	161	126.2 Å²	126.2	86%	0.861	77%	0.767	S	S	*	*				-172	160.3	99.8	-133.5	-33	0	0	0	115.3
220	C	38.5	Very low	37.5	Very low	119 Å²	119	130.6 Å²	130.6	80%	0.804	77%	0.774	S	S	*	*			trans	-44.7	157.4	-177.3	-142.9	0	0	0	0	118.6
221	G	37.3	Very low	37.3	Very low	61 Å²	61	130.9 Å²	130.9	63%	0.629	78%	0.776	S	S	*	*			cis	161.6	-168.4	-5.5	0	0	0	0	0	115.7
222	S	38.9	Very low	37.4	Very low	126 Å²	126	128.4 Å²	128.4	88%	0.881	78%	0.775	S	S	*	*			trans	74.5	100.8	164.9	39.1	0	0	0	0	123.2
223	E	33.1	Very low	37.7	Very low	179 Å²	179	126.5 Å²	126.5	84%	0.836	77%	0.772	S	S	*	*			trans	-71.4	-164.1	155.6	-83.1	-104.6	121.1	0	0	113.9
224	P	44.9	Very low	38.1	Very low	82 Å²	82	128.2 Å²	128.2	53%	0.532	78%	0.78	S	S	.	*				-142.1	-156.6	-58.4	43.6	-25	0	0	0	114.4
225	N	36.3	Very low	37.8	Very low	148 Å²	148	124.8 Å²	124.8	79%	0.791	77%	0.774	S	S	*	*			trans	75.8	154.5	164.7	-61.2	-28.1	0	0	0	117.4
226	S	37.3	Very low	37.6	Very low	91 Å²	91	127.2 Å²	127.2	64%	0.636	78%	0.779	S	S	*	*			cis	-162.3	158.6	10.3	-141.1	0	0	0	0	114
227	L	34.9	Very low	37.1	Very low	155 Å²	155	126.8 Å²	126.8	81%	0.812	78%	0.775	S	S	*	*			trans	54.5	118	146.3	-68.6	164.2	0	0	0	121.1
228	A	32.3	Very low	36.5	Very low	91 Å²	91	129 Å²	129	75%	0.752	78%	0.776	S	S	*	*				82.2	144.1	92.6	0	0	0	0	0	115.1
229	A	32.6	Very low	36.3	Very low	82 Å²	82	133.9 Å²	133.9	68%	0.678	78%	0.783	S	S	*	*			cis	-165.7	169.9	-10.7	0	0	0	0	0	110.9
230	L	30.1	Very low	35.6	Very low	157 Å²	157	134.2 Å²	134.2	82%	0.822	78%	0.779	S	S	*	*			trans	57.9	115.7	153.7	-67.8	158.3	0	0	0	120.7
231	L	34.8	Very low	35.3	Very low	176 Å²	176	137.7 Å²	137.7	92%	0.921	78%	0.783	S	S	*	*				177.8	166.6	103.3	-90	175.1	0	0	0	112.7
232	A	36	Very low	34.9	Very low	92 Å²	92	142 Å²	142	76%	0.76	79%	0.791	S	S	*	*			trans	-97.3	173	-154.7	0	0	0	0	0	115.8
233	P	44.4	Very low	34.3	Very low	119 Å²	119	139.8 Å²	139.8	77%	0.773	78%	0.781	S	S	*	*			trans	-100.8	-179.8	-164.8	41.2	-36.8	0	0	0	114.4
234	P	43.6	Very low	34.1	Very low	130 Å²	130	138.1 Å²	138.1	84%	0.844	78%	0.783	S	S	*	*			trans	-116	166.5	157.4	36.8	-26.2	0	0	0	114.4
235	S	33.6	Very low	33.2	Very low	103 Å²	103	141.3 Å²	141.3	72%	0.72	80%	0.795	S	S	*	*			trans	-113.2	-174.9	-162.9	57.8	0	0	0	0	114.3
236	K	36.4	Very low	32.8	Very low	192 Å²	192	138.7 Å²	138.7	84%	0.835	80%	0.795	S	S	*	*			trans	110	133.2	170.9	-63.5	163.3	-175.6	178.3	0	112.3
237	Q	31.8	Very low	32.4	Very low	175 Å²	175	141.3 Å²	141.3	82%	0.818	81%	0.806	S	S	*	*			cis	-153.6	143.3	15.7	-126.8	165	4.2	0	0	110.5
238	P	28.9	Very low	31.9	Very low	121 Å²	121	141 Å²	141	79%	0.786	81%	0.811	S	S	*	*			trans	-85.3	131.9	168	33.4	-29.8	0	0	0	110
239	R	34.9	Very low	31.6	Very low	251 Å²	251	141 Å²	141	95%	0.947	81%	0.811	S	S	*	*			trans	-102.2	111.4	170.6	-144.3	174.2	-170.3	170.9	2.4	109.6
240	Q	27.2	Very low	31.2	Very low	169 Å²	169	142.1 Å²	142.1	79%	0.79	82%	0.82	S	S	*	*			trans	-60.7	139.4	175	-62.9	161.2	-37.7	0	0	109.9
241	H	32.4	Very low	31.1	Very low	192 Å²	192	139.4 Å²	139.4	89%	0.889	82%	0.821	S	S	*	*			trans	-138.9	140.2	143.2	-122.6	-89.1	0	0	0	109.3
242	L	28.8	Very low	30.7	Very low	150 Å²	150	139.3 Å²	139.3	79%	0.785	82%	0.82	S	S	*	*			trans	-71.4	159.7	-164.2	-90.5	60.7	0	0	0	113.3
243	A	25.9	Very low	30.4	Very low	81 Å²	81	139.2 Å²	139.2	67%	0.669	82%	0.82	S	S	*	*			trans	-49.3	144	168.5	0	0	0	0	0	113.3
244	T	29.5	Very low	29.7	Very low	143 Å²	143	145.6 Å²	145.6	88%	0.877	83%	0.828	S	S	*	*			trans	-131.3	76	151.1	43.8	0	0	0	0	108
245	D	26.2	Very low	29	Very low	149 Å²	149	142.5 Å²	142.5	80%	0.797	82%	0.82	S	S	*	*			trans	-62.3	159.9	153.4	-71.9	-56.9	0	0	0	109.4
246	A	26.9	Very low	28.8	Very low	94 Å²	94	145.4 Å²	145.4	78%	0.777	83%	0.827	S	S	*	*			trans	73.6	80.7	173.9	0	0	0	0	0	118.3
247	V	28.4	Very low	28.5	Very low	145 Å²	145	140.9 Å²	140.9	88%	0.879	83%	0.826	S	S	*	*			trans	-140.2	72.3	136.2	-166.1	0	0	0	0	110.4
248	T	25.5	Very low	28.5	Very low	148 Å²	148	139.6 Å²	139.6	91%	0.908	82%	0.824	S	S	*	*			trans	-128.5	69.1	174.6	-44.3	0	0	0	0	111.4
249	A	25.4	Very low	28.5	Very low	91 Å²	91	141.2 Å²	141.2	75%	0.752	83%	0.826	S	S	*	*			trans	-154.5	152.7	166	0	0	0	0	0	109.9
250	A	25.4	Very low	28.3	Very low	106 Å²	106	134 Å²	134	88%	0.876	82%	0.82	S	S	*	*	S	Bend	trans	69.3	63	174.3	0	0	0	0	0	118.5
251	A	26.5	Very low	28.3	Very low	101 Å²	101	136.4 Å²	136.4	84%	0.835	82%	0.823	S	S	*	*	S	Bend	trans	-138.3	5	153.4	0	0	0	0	0	114.4
252	L	26.9	Very low	28.1	Very low	173 Å²	173	133.4 Å²	133.4	91%	0.906	82%	0.818	S	S	*	*	S	Bend	trans	-114.7	58.6	-180	-69.2	173.8	0	0	0	110.8
253	A	29.7	Very low	28.1	Very low	91 Å²	91	132.6 Å²	132.6	75%	0.752	82%	0.82	S	S	*	*			trans	-157.3	47.4	179	0	0	0	0	0	113.7
254	R	30.9	Very low	28.3	Very low	253 Å²	253	133.6 Å²	133.6	96%	0.955	83%	0.828	S	S	*	*			trans	-139.1	82.7	159.1	-75.9	-162.8	174.4	175.5	-1	109.9
255	G	28.2	Very low	28	Very low	65 Å²	65	132.3 Å²	132.3	67%	0.67	83%	0.825	S	S	*	*			trans	-80.9	163.2	158.4	0	0	0	0	0	110.7
256	D	28.1	Very low	28.2	Very low	163 Å²	163	136.8 Å²	136.8	87%	0.872	83%	0.83	S	S	*	*			trans	47.8	88.4	149.8	-52.9	-28.4	0	0	0	119.1
257	A	31.5	Very low	28.2	Very low	98 Å²	98	136.8 Å²	136.8	81%	0.81	83%	0.831	S	S	*	*			trans	-145	93.2	140.1	0	0	0	0	0	106.5
258	L	32	Very low	28.5	Very low	148 Å²	148	137.7 Å²	137.7	78%	0.775	83%	0.829	S	S	*	*				53.3	102	80.1	-94.4	161	0	0	0	114.1
259	D	27.1	Very low	28.6	Very low	154 Å²	154	135.2 Å²	135.2	82%	0.824	82%	0.823	S	S	*	*			trans	17.3	100.3	145.1	-55.3	-34.4	0	0	0	118.5
260	A	30.9	Very low	28.8	Very low	99 Å²	99	134 Å²	134	82%	0.818	82%	0.82	S	S	*	*			trans	-159.9	90.4	151.8	0	0	0	0	0	112
261	Y	28.4	Very low	29.2	Very low	221 Å²	221	137.5 Å²	137.5	87%	0.867	82%	0.823	S	S	*	*			trans	-69.4	120.9	155.1	-107.6	-99.7	0	0	0	108.2
262	T	28.7	Very low	29.2	Very low	128 Å²	128	141.5 Å²	141.5	79%	0.785	83%	0.825	S	S	*	*			trans	-176.1	116.3	150	-79.6	0	0	0	0	111.7
263	V	27.3	Very low	29.2	Very low	134 Å²	134	140.6 Å²	140.6	81%	0.812	82%	0.82	S	S	*	*			trans	33.6	113.9	142.1	-171.4	0	0	0	0	119.6
264	A	29.9	Very low	29.2	Very low	102 Å²	102	142.5 Å²	142.5	84%	0.843	82%	0.823	S	S	*	*			trans	-164.8	94.6	136.5	0	0	0	0	0	112.6
265	S	25.1	Very low	29.1	Very low	115 Å²	115	133.8 Å²	133.8	80%	0.804	81%	0.812	S	S	*	*			trans	-87.6	127.4	161.6	-52.7	0	0	0	0	110
266	R	28.9	Very low	29	Very low	243 Å²	243	138.4 Å²	138.4	92%	0.917	82%	0.821	S	S	*	*			trans	170.6	134.2	138.1	-99.1	167	-177.9	-177.4	1.6	114.1
267	A	27.3	Very low	29.2	Very low	95 Å²	95	137.4 Å²	137.4	79%	0.785	82%	0.82	S	S	*	*			trans	64.4	152.8	158.5	0	0	0	0	0	115.8
268	I	35.4	Very low	29	Very low	163 Å²	163	140.9 Å²	140.9	84%	0.836	82%	0.824	S	S	*	*			cis	-137	149.1	25.4	-71.3	168.5	0	0	0	110.4
269	A	28.1	Very low	28.8	Very low	96 Å²	96	136.7 Å²	136.7	79%	0.793	82%	0.817	S	S	*	*			trans	-89.4	149.8	173.1	0	0	0	0	0	112.5
270	G	28.2	Very low	28.9	Very low	67 Å²	67	133.2 Å²	133.2	69%	0.691	82%	0.817	S	S	*	*			trans	89.2	110	161.5	0	0	0	0	0	116.5
271	L	33.9	Very low	29.3	Very low	178 Å²	178	134 Å²	134	93%	0.932	81%	0.813	S	S	*	*				-163.2	146.1	102	-124	80.1	0	0	0	110.1
272	E	26.9	Very low	29.9	Very low	186 Å²	186	131.9 Å²	131.9	87%	0.869	81%	0.81	S	S	*	*			trans	-86.5	158.1	173.9	-61.6	179.4	124.6	0	0	112
273	N	27.2	Very low	30.6	Very low	153 Å²	153	127 Å²	127	82%	0.818	78%	0.781	S	S	*	*			trans	91.3	148.4	144.1	-149.1	3.5	0	0	0	120.1
274	V	30.2	Very low	31.6	Very low	132 Å²	132	124.2 Å²	124.2	80%	0.8	77%	0.765	S	S	*	*			trans	75.3	118.2	166.9	-162.4	0	0	0	0	118.5
275	G	28.5	Very low	32	Very low	70 Å²	70	121 Å²	121	72%	0.722	74%	0.736	S	S	*	*			trans	144.8	93.8	144.7	0	0	0	0	0	117.6	V277	G275-V277 PolarHBondContact O-N 3Å
276	N	24.7	Very low	32.7	Very low	161 Å²	161	119.4 Å²	119.4	86%	0.861	72%	0.721	S	S	*	*			trans	-47.6	126.6	163.7	-82.2	-24.3	0	0	0	113.3
277	V	32.4	Very low	32.8	Very low	142 Å²	142	110.8 Å²	110.8	86%	0.861	70%	0.698	S	S	*	*			trans	-137.4	110.3	142	-177	0	0	0	0	109.2	G275	G275-V277 PolarHBondContact O-N 3Å
278	L	27.9	Very low	33.2	Very low	171 Å²	171	111.1 Å²	111.1	90%	0.895	69%	0.686	S	S	*	*			trans	-78	121	170.4	-72	161.3	0	0	0	108.9
279	G	28.5	Very low	32.9	Very low	61 Å²	61	113.8 Å²	113.8	63%	0.629	69%	0.686	S	S	*	*			trans	-177.5	71.2	-178.4	0	0	0	0	0	111.8	T281	G279-T281 PolarHBondContact O-N 2.93Å
280	G	29.5	Very low	33	Very low	80 Å²	80	118.1 Å²	118.1	83%	0.825	69%	0.69	S	S	*	*			trans	-65.4	97	179.8	0	0	0	0	0	111.9	H282	G280-H282 PolarHBondContact O-N 3.1Å
281	T	38.4	Very low	33.1	Very low	117 Å²	117	118.7 Å²	118.7	72%	0.718	69%	0.688	S	S	*	*			trans	-70.3	115.6	168.7	43.1	0	0	0	0	108.9	G279	G279-T281 PolarHBondContact O-N 2.93Å
282	H	41.1	Very low	32.8	Very low	175 Å²	175	114.4 Å²	114.4	81%	0.81	68%	0.678	S	S	*	*			trans	-60.4	149.8	177.6	-86.4	-69.5	0	0	0	111.4	G280	G280-H282 PolarHBondContact O-N 3.1Å
283	P	42.8	Very low	32.9	Very low	27 Å²	27	114.3 Å²	114.3	18%	0.175	68%	0.678	C	S	.	*			trans	-54.2	147.7	174.8	22.8	-35.2	0	0	0	111.4	C285 W550	P283-C285 PolarHBondContact O-N 3.46Å; P283-W550 HydrophobicContact CB-CH2 3.54Å; P283-W550 HydrophobicContact CB-CZ2 4.18Å; P283-W550 HydrophobicContact CB-CZ3 4.3Å
284	P	48.9	Very low	33	Very low	75 Å²	75	114.5 Å²	114.5	49%	0.487	68%	0.679	S	S	.	*			trans	-71.5	69.8	170.4	32.1	-35.4	0	0	0	110.4	V286 Y548	P284-V286 PolarHBondContact O-N 3.34Å; P284-V286 VanDerWaalsContact O-N 3.16Å; P284-Y548 HydrophobicContact CG-CE1 3.89Å
285	C	38.8	Very low	32.9	Very low	34 Å²	34	117.3 Å²	117.3	23%	0.23	69%	0.686	C	S	.	*			trans	-68.8	107.5	169.8	-71.5	0	0	0	0	108.3	P283 S287 K557 C562	P283-C285 PolarHBondContact O-N 3.46Å; C285-S287 PolarHBondContact O-N 2.88Å; C285-K557 PolarHBondContact SG-O 2.94Å; C285-K557 VanDerWaalsContact SG-O 3.38Å; C285-C562 HydrophobicContact CB-CB 4.39Å
286	V	39.5	Very low	33	Very low	82 Å²	82	119.6 Å²	119.6	50%	0.497	69%	0.686	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.9	100.8	179	-175.6	0	0	0	0	108.9	P284 L288 C562	P284-V286 PolarHBondContact O-N 3.34Å; P284-V286 VanDerWaalsContact O-N 3.16Å; V286-L288 PolarHBondContact O-N 3.3Å; V286-C562 WeakPolarHBondContact O-CA 3.49Å
287	S	31.2	Very low	33.3	Very low	61 Å²	61	120.1 Å²	120.1	43%	0.427	69%	0.688	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.4	127	171	177.3	0	0	0	0	110.5	C285 R289	C285-S287 PolarHBondContact O-N 2.88Å; S287-R289 PolarHBondContact OG-N 2.65Å
288	L	34.3	Very low	33	Very low	102 Å²	102	117.6 Å²	117.6	53%	0.534	69%	0.69	S	S	.	*	S	Bend	trans	-104.5	40	167.7	-83.5	169.3	0	0	0	111.7	V286	V286-L288 PolarHBondContact O-N 3.3Å
289	R	30.9	Very low	33.1	Very low	219 Å²	219	112.9 Å²	112.9	83%	0.826	68%	0.683	S	S	*	*			trans	-155.5	71.2	174	-155.3	171.4	179.9	179.3	-4.6	116	S287	S287-R289 PolarHBondContact OG-N 2.65Å
290	E	30.2	Very low	33.3	Very low	187 Å²	187	115.4 Å²	115.4	87%	0.874	69%	0.688	S	S	*	*			trans	-150.6	80	169	-108	161.6	-169.1	0	0	110.2
291	A	29	Very low	33.6	Very low	79 Å²	79	118 Å²	118	65%	0.653	69%	0.69	S	S	*	*			trans	-162.1	43.2	178	0	0	0	0	0	112.6
292	A	28.4	Very low	33.3	Very low	89 Å²	89	119.6 Å²	119.6	74%	0.736	70%	0.695	S	S	*	*	S	Bend	trans	-158.1	42.2	179.1	0	0	0	0	0	114.3
293	E	29.3	Very low	32.8	Very low	183 Å²	183	119.6 Å²	119.6	86%	0.855	70%	0.7	S	S	*	*	S	Bend	trans	-169	91.2	166.3	-109.3	152.8	-135.9	0	0	110.3
294	N	29.5	Very low	32.4	Very low	158 Å²	158	124.6 Å²	124.6	85%	0.845	73%	0.729	S	S	*	*			trans	164	89.3	148.2	-88.1	-20.6	0	0	0	110.6
295	M	26.1	Very low	31.5	Very low	191 Å²	191	124.4 Å²	124.4	94%	0.941	74%	0.741	S	S	*	*			trans	-92.1	91.6	164.4	-76	178.6	61.2	0	0	109.6
296	T	32.1	Very low	31.6	Very low	118 Å²	118	129.1 Å²	129.1	72%	0.724	77%	0.769	S	S	*	*			trans	-149.6	95.3	168.3	-2.7	0	0	0	0	112.9
297	L	29.6	Very low	31.6	Very low	172 Å²	172	131 Å²	131	90%	0.901	78%	0.783	S	S	*	*			trans	31.7	100.5	138.8	-62.6	166.8	0	0	0	119.3
298	G	26.7	Very low	32.1	Very low	89 Å²	89	134.3 Å²	134.3	92%	0.918	80%	0.803	S	S	*	*				54.1	115.6	122.7	0	0	0	0	0	121.7
299	G	30	Very low	32.4	Very low	71 Å²	71	134.1 Å²	134.1	73%	0.732	82%	0.816	S	S	*	*			trans	165.1	130.2	157.5	0	0	0	0	0	112.9
300	P	32.5	Very low	32.9	Very low	115 Å²	115	129.5 Å²	129.5	75%	0.747	81%	0.814	S	S	*	*			trans	-77.4	151.5	174.7	33	-34.1	0	0	0	111.1	N302	P300-N302 PolarHBondContact O-N 2.92Å; P300-N302 VanDerWaalsContact O-N 3.17Å
301	P	35.3	Very low	33.6	Very low	133 Å²	133	125.5 Å²	125.5	86%	0.864	80%	0.804	S	S	*	*			trans	-73.5	110.2	-178.2	29.4	-33.5	0	0	0	111.1
302	N	33.1	Very low	34.2	Very low	152 Å²	152	130.6 Å²	130.6	81%	0.813	81%	0.814	S	S	*	*			trans	-78.5	134.3	169.8	-103.3	-43.8	0	0	0	111	P300 V304	P300-N302 PolarHBondContact O-N 2.92Å; P300-N302 VanDerWaalsContact O-N 3.17Å; N302-V304 PolarHBondContact O-N 3.15Å
303	L	30.5	Very low	34.7	Very low	175 Å²	175	132.8 Å²	132.8	92%	0.916	82%	0.819	S	S	*	*			trans	-65.7	120	169.9	-78.4	153.7	0	0	0	110
304	V	34.2	Very low	35.1	Very low	132 Å²	132	127.5 Å²	127.5	80%	0.8	81%	0.814	S	S	*	*			trans	-96.9	99.7	170.7	179.2	0	0	0	0	109.2	N302	N302-V304 PolarHBondContact O-N 3.15Å
305	G	31.1	Very low	35.5	Very low	71 Å²	71	131 Å²	131	73%	0.732	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-86.8	134.2	160	0	0	0	0	0	110.2
306	T	39.8	Very low	35.9	Very low	133 Å²	133	129.6 Å²	129.6	82%	0.816	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-85.4	155.5	173.5	37.2	0	0	0	0	112
307	P	40.4	Very low	36.1	Very low	121 Å²	121	128.3 Å²	128.3	79%	0.786	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-90.4	168	-150.7	35.4	-37.9	0	0	0	115.8
308	P	41.1	Very low	36.3	Very low	130 Å²	130	124.9 Å²	124.9	84%	0.844	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-96.4	155.6	-171.6	37.5	-35.4	0	0	0	115
309	A	40.4	Very low	36.8	Very low	98 Å²	98	127.8 Å²	127.8	81%	0.81	79%	0.788	S	S	*	*			trans	-153.3	152.3	157	0	0	0	0	0	111.3
310	P	40.6	Very low	37.1	Very low	122 Å²	122	131.7 Å²	131.7	79%	0.792	79%	0.789	S	S	*	*			trans	-124.6	-152	-156.1	39.3	-17.8	0	0	0	113
311	P	45.2	Very low	37.3	Very low	103 Å²	103	132.8 Å²	132.8	67%	0.669	79%	0.788	S	S	*	*				-127.3	154.9	-94.1	38.9	-22.6	0	0	0	115.2
312	H	42.8	Very low	37.3	Very low	186 Å²	186	132 Å²	132	86%	0.861	78%	0.781	S	S	*	*			trans	-139.9	96	166.6	-81.2	-68	0	0	0	114.6
313	T	39.4	Very low	37.3	Very low	136 Å²	136	130.3 Å²	130.3	83%	0.834	78%	0.776	S	S	*	*			trans	20.3	130.5	134.5	54.6	0	0	0	0	121.6
314	G	37.4	Very low	37.7	Very low	72 Å²	72	127.1 Å²	127.1	74%	0.742	77%	0.768	S	S	*	*			trans	165.9	97.4	150.6	0	0	0	0	0	117.4
315	Y	37.2	Very low	37.8	Very low	231 Å²	231	125.4 Å²	125.4	91%	0.906	76%	0.762	S	S	*	*			trans	13.3	155.7	152.8	-67.8	-100.1	0	0	0	122.4
316	Q	35.2	Very low	38.2	Very low	161 Å²	161	129.4 Å²	129.4	75%	0.752	77%	0.766	S	S	*	*			cis	175.6	150.5	-29.8	-150.4	-153.8	39.3	0	0	106.4
317	S	34.6	Very low	38	Very low	91 Å²	91	128.6 Å²	128.6	64%	0.636	77%	0.766	S	S	*	*			trans	71.4	106.1	149.2	-74.3	0	0	0	0	124
318	S	35.2	Very low	38.1	Very low	101 Å²	101	126.8 Å²	126.8	71%	0.706	77%	0.769	S	S	*	*				96.6	151.9	102.8	-151.3	0	0	0	0	122.4
319	L	37.9	Very low	37.9	Very low	150 Å²	150	128.1 Å²	128.1	79%	0.785	77%	0.769	S	S	*	*			trans	71.5	148.9	165.9	-54.5	-175.5	0	0	0	118.3
320	M	35.6	Very low	38.1	Very low	152 Å²	152	127 Å²	127	75%	0.749	77%	0.767	S	S	*	*			cis	-171.8	174.1	-33.7	-137.9	-175	-170.8	0	0	108.3
321	N	36.4	Very low	37.9	Very low	139 Å²	139	131.4 Å²	131.4	74%	0.743	77%	0.768	S	S	*	*			trans	75.1	153.3	156.8	-62.1	-15.3	0	0	0	119.6
322	V	35.3	Very low	37.7	Very low	116 Å²	116	133.4 Å²	133.4	70%	0.703	77%	0.773	S	S	*	*			cis	-162.3	135.5	-14.6	129.7	0	0	0	0	111.4
323	V	33.1	Very low	37.3	Very low	116 Å²	116	133.7 Å²	133.7	70%	0.703	77%	0.772	S	S	*	*			trans	26.2	136.2	140.7	-166.6	0	0	0	0	123.3
324	S	38.2	Very low	37.2	Very low	109 Å²	109	130.9 Å²	130.9	76%	0.762	76%	0.763	S	S	*	*				-180	121.5	126.6	-79.6	0	0	0	0	112.1
325	S	37.4	Very low	37.1	Very low	96 Å²	96	139 Å²	139	67%	0.671	77%	0.771	S	S	*	*				81	131.8	74.7	-61.1	0	0	0	0	113
326	L	38	Very low	37.1	Very low	155 Å²	155	132.5 Å²	132.5	81%	0.812	76%	0.759	S	S	*	*			cis	-142.6	153.9	10.1	-79	111.4	0	0	0	110
327	S	35.9	Very low	37.2	Very low	116 Å²	116	133 Å²	133	81%	0.811	77%	0.766	S	S	*	*				78.7	127.9	69.2	-41.4	0	0	0	0	117.8
328	G	42.5	Very low	37.2	Very low	82 Å²	82	132 Å²	132	85%	0.845	77%	0.769	S	S	*	*			trans	172.7	111.4	169.8	0	0	0	0	0	114.4
329	D	37.5	Very low	37.3	Very low	158 Å²	158	134.2 Å²	134.2	85%	0.845	78%	0.779	S	S	*	*			trans	-90.5	161.7	-173.5	-113.3	-47.8	0	0	0	114.4
330	G	45.2	Very low	37.1	Very low	76 Å²	76	130.9 Å²	130.9	78%	0.784	77%	0.772	S	S	*	*			trans	-176.2	116.3	168.1	0	0	0	0	0	113.4
331	R	35.3	Very low	37.4	Very low	213 Å²	213	131.6 Å²	131.6	80%	0.804	78%	0.78	S	S	*	*			trans	-109.2	160.7	-175.9	-63.5	176.7	-178.7	165.6	0.8	112.1
332	D	41.1	Very low	37.1	Very low	146 Å²	146	133.6 Å²	133.6	78%	0.781	78%	0.784	S	S	*	*			trans	141.6	147.7	143.7	-74.2	-16.2	0	0	0	111.2
333	F	35.4	Very low	37.2	Very low	191 Å²	191	135.4 Å²	135.4	84%	0.838	79%	0.788	S	S	*	*			cis	-173.9	156.4	-30.4	-140.7	-81.7	0	0	0	106.2
334	A	37	Very low	37.4	Very low	77 Å²	77	138.1 Å²	138.1	64%	0.636	79%	0.793	S	S	*	*			trans	79.3	107.7	158.3	0	0	0	0	0	122.6
335	R	34.6	Very low	36.9	Very low	244 Å²	244	140.6 Å²	140.6	92%	0.921	80%	0.797	S	S	*	*				53.2	139.2	123.7	-62.5	175.3	177	170	-1.5	119.3
336	S	37.5	Very low	36.8	Very low	93 Å²	93	140.9 Å²	140.9	65%	0.65	81%	0.806	S	S	*	*			cis	-167.6	157.3	46	-152.7	0	0	0	0	113.9
337	L	37.4	Very low	36.6	Very low	173 Å²	173	139.4 Å²	139.4	91%	0.906	80%	0.803	S	S	*	*			trans	27.4	136	150.6	-60.5	163	0	0	0	119.2
338	G	34.4	Very low	36.4	Very low	68 Å²	68	139.8 Å²	139.8	70%	0.701	80%	0.801	S	S	*	*			cis	156.5	147.9	18.2	0	0	0	0	0	105.6
339	V	38.5	Very low	36	Very low	149 Å²	149	147.9 Å²	147.9	90%	0.903	81%	0.806	S	S	*	*				-171.3	147.8	78.9	161.5	0	0	0	0	107.3
340	A	33.8	Very low	35.6	Very low	79 Å²	79	145.3 Å²	145.3	65%	0.653	80%	0.8	S	S	*	*			trans	-92.9	161.5	-177.7	0	0	0	0	0	113.6
341	N	39.9	Very low	35.3	Very low	168 Å²	168	150.2 Å²	150.2	90%	0.898	81%	0.808	S	S	*	*			trans	-155.5	123.4	133	-98.7	-30	0	0	0	111.7
342	H	31	Very low	35	Very low	181 Å²	181	144.7 Å²	144.7	84%	0.838	80%	0.802	S	S	*	*			trans	-95.3	164.3	167.8	-108.9	-70.3	0	0	0	109.5
343	I	37.6	Very low	34.7	Very low	154 Å²	154	145.5 Å²	145.5	79%	0.79	80%	0.803	S	S	*	*			trans	145.3	133.2	156	-80.1	155.3	0	0	0	107.7
344	H	37.4	Very low	34.6	Very low	172 Å²	172	141.3 Å²	141.3	80%	0.796	80%	0.797	S	S	*	*			cis	-157.4	152.2	-18.2	-122.1	45.5	0	0	0	107.2
345	N	27.1	Very low	34.3	Very low	161 Å²	161	144.6 Å²	144.6	86%	0.861	80%	0.804	S	S	*	*			trans	-81.8	141.5	163.7	-100.3	-20.6	0	0	0	109.8
346	A	36.2	Very low	34.3	Very low	103 Å²	103	143.8 Å²	143.8	85%	0.851	80%	0.803	S	S	*	*			trans	-146.3	139.4	164	0	0	0	0	0	111.1
347	T	33.3	Very low	34.2	Very low	123 Å²	123	144.8 Å²	144.8	76%	0.755	81%	0.807	S	S	*	*			trans	-109.2	156	-159.3	-44.9	0	0	0	0	112.1
348	T	31.4	Very low	33.9	Very low	125 Å²	125	143.7 Å²	143.7	77%	0.767	80%	0.801	S	S	*	*			trans	59.9	121.5	156.6	34.4	0	0	0	0	119.6
349	R	35.3	Very low	34.3	Very low	252 Å²	252	146.1 Å²	146.1	95%	0.951	80%	0.804	S	S	*	*				-157.2	131.1	107.6	-109.6	172.6	-176.8	-162.6	-0.7	112.3
350	S	29.3	Very low	33.9	Very low	104 Å²	104	145 Å²	145	73%	0.727	80%	0.797	S	S	*	*			trans	-84.1	137.6	168.3	168.2	0	0	0	0	109.7
351	L	37.5	Very low	33.9	Very low	178 Å²	178	147 Å²	147	93%	0.932	81%	0.806	S	S	*	*			trans	-143.3	145.1	149.5	-82.8	-178.4	0	0	0	108.7
352	S	29.6	Very low	33.4	Very low	97 Å²	97	143.4 Å²	143.4	68%	0.678	80%	0.8	S	S	*	*			trans	-118.2	177.2	-163.6	54	0	0	0	0	113.2
353	M	33.7	Very low	33.6	Very low	163 Å²	163	140.3 Å²	140.3	80%	0.803	80%	0.797	S	S	*	*			trans	81.1	142	171.2	-36.2	-147.8	86.1	0	0	114.5
354	S	34.8	Very low	33.4	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	80%	0.796	S	S	*	*			cis	-142.2	146.8	19	-53.5	0	0	0	0	113.7
355	D	30.5	Very low	33	Very low	146 Å²	146	140.1 Å²	140.1	78%	0.781	79%	0.794	S	S	*	*			trans	-67.5	154	166.4	-57.1	-83	0	0	0	112.8
356	Y	34.2	Very low	33.4	Very low	226 Å²	226	140.4 Å²	140.4	89%	0.886	80%	0.795	S	S	*	*			trans	-140.9	122.3	155.8	-100.2	-79	0	0	0	110.9
357	P	35.6	Very low	33.3	Very low	114 Å²	114	146.3 Å²	146.3	74%	0.74	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-90.4	158.1	-174.7	35	-35.5	0	0	0	114
358	I	31.8	Very low	33.6	Very low	151 Å²	151	145.1 Å²	145.1	77%	0.774	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72.4	131.6	171.9	-60.7	168	0	0	0	110.1
359	P	41.8	Very low	33.9	Very low	118 Å²	118	146.3 Å²	146.3	77%	0.766	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-86.9	116	162.2	32	-27.9	0	0	0	110.4
360	V	30.3	Very low	34	Very low	127 Å²	127	140.5 Å²	140.5	77%	0.77	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-84.2	137.2	164.7	-170	0	0	0	0	107.8
361	S	34.1	Very low	34.5	Very low	120 Å²	120	140.2 Å²	140.2	84%	0.839	78%	0.78	S	S	*	*			trans	-144.3	121.4	165	-77.9	0	0	0	0	110.3
362	A	29.6	Very low	34.4	Very low	92 Å²	92	139.6 Å²	139.6	76%	0.76	77%	0.772	S	S	*	*			trans	-119.7	125.3	174.3	0	0	0	0	0	108.6
363	C	33.8	Very low	34.6	Very low	117 Å²	117	140.3 Å²	140.3	79%	0.791	78%	0.775	S	S	*	*			trans	-140.7	108.2	160.4	-57.9	0	0	0	0	104.3
364	Q	33.2	Very low	34.7	Very low	164 Å²	164	140.4 Å²	140.4	77%	0.766	78%	0.779	S	S	*	*				55.6	99.5	97.7	-70.7	-162.7	-78.8	0	0	111.9
365	E	29.9	Very low	34.6	Very low	158 Å²	158	139 Å²	139	74%	0.738	78%	0.78	S	S	*	*				79.1	105.1	88.1	-80	-179.2	129.4	0	0	111.3
366	D	35.4	Very low	35.3	Very low	166 Å²	166	137.8 Å²	137.8	89%	0.888	78%	0.78	S	S	*	*				-157.8	152.3	119.9	-122.7	-32.5	0	0	0	113.3
367	R	34.8	Very low	35.5	Very low	227 Å²	227	135 Å²	135	86%	0.857	78%	0.781	S	S	*	*			trans	-87.8	160.4	175.3	-69.2	170.9	164.5	174.4	-5.5	109
368	S	39.2	Very low	35.4	Very low	99 Å²	99	133.7 Å²	133.7	69%	0.692	78%	0.779	S	S	*	*				171.7	162.2	77.5	-59.6	0	0	0	0	111.7
369	N	37.6	Very low	35.7	Very low	149 Å²	149	135.5 Å²	135.5	80%	0.797	78%	0.784	S	S	*	*			trans	71.3	151.8	157.4	-61.6	3.4	0	0	0	120.3
370	D	37.2	Very low	35.4	Very low	130 Å²	130	136.4 Å²	136.4	70%	0.695	78%	0.783	S	S	*	*			cis	-169.9	171.6	-41.8	-135	-42	0	0	0	110.3
371	S	39.8	Very low	35.7	Very low	99 Å²	99	138 Å²	138	69%	0.692	79%	0.786	S	S	*	*			trans	71.1	116.8	170.4	-49.8	0	0	0	0	116.6
372	Q	35.6	Very low	35.6	Very low	165 Å²	165	137.3 Å²	137.3	77%	0.771	78%	0.781	S	S	*	*				61.8	128.9	65.1	-56.3	-173.9	28.2	0	0	112.1
373	C	34	Very low	35.9	Very low	111 Å²	111	138.2 Å²	138.2	75%	0.75	78%	0.783	S	S	*	*				-149.9	138.3	51.9	-70.3	0	0	0	0	111.2
374	L	35.3	Very low	35.9	Very low	166 Å²	166	137.9 Å²	137.9	87%	0.869	78%	0.781	S	S	*	*				59.8	125.9	85.6	-70	171.6	0	0	0	117.6
375	G	33	Very low	36.2	Very low	74 Å²	74	140.1 Å²	140.1	76%	0.763	79%	0.789	S	S	*	*			trans	126.7	126.6	142.2	0	0	0	0	0	117.5
376	P	45.1	Very low	36.7	Very low	120 Å²	120	141 Å²	141	78%	0.779	80%	0.795	S	S	*	*			trans	-107.6	173.6	-176.3	41	-33.8	0	0	0	113.8
377	N	37.6	Very low	36.6	Very low	169 Å²	169	136 Å²	136	90%	0.904	78%	0.783	S	S	*	*			trans	-162.9	154.7	141.4	-101.6	-23.8	0	0	0	112.9
378	A	33.9	Very low	36.7	Very low	85 Å²	85	135 Å²	135	70%	0.702	79%	0.788	S	S	*	*			trans	-103.3	-160.4	175.6	0	0	0	0	0	110.7
379	E	38.1	Very low	36.4	Very low	189 Å²	189	136 Å²	136	88%	0.883	80%	0.795	S	S	*	*			trans	79.4	150.6	179.8	-57.1	-168.1	164.6	0	0	116.2
380	N	34.9	Very low	36.5	Very low	137 Å²	137	135 Å²	135	73%	0.733	80%	0.8	S	S	*	*			cis	-166.8	-178.3	-32.2	-162.6	-5.6	0	0	0	106.8
381	L	37.7	Very low	36.4	Very low	160 Å²	160	134.2 Å²	134.2	84%	0.838	80%	0.804	S	S	*	*			trans	84.9	142.8	156.9	-61.6	161.2	0	0	0	120.4
382	S	31.2	Very low	36.4	Very low	106 Å²	106	136.6 Å²	136.6	74%	0.741	81%	0.814	S	S	*	*			trans	-114.8	148.3	-168.2	51.7	0	0	0	0	112.9
383	S	35.7	Very low	36.3	Very low	112 Å²	112	134.1 Å²	134.1	78%	0.783	82%	0.815	S	S	*	*			trans	177.7	118.7	141.9	28.4	0	0	0	0	108.7
384	S	35.8	Very low	36.5	Very low	109 Å²	109	134.4 Å²	134.4	76%	0.762	82%	0.818	S	S	*	*				65.7	108.3	83.9	-59	0	0	0	0	114
385	F	39.3	Very low	36.7	Very low	211 Å²	211	131.4 Å²	131.4	93%	0.925	81%	0.812	S	S	*	*			trans	-161.8	149.1	133.6	-106.2	-68.6	0	0	0	112.5
386	M	39.7	Very low	37.1	Very low	178 Å²	178	134.3 Å²	134.3	88%	0.877	81%	0.814	S	S	*	*			trans	-67.7	161.2	176.5	-56.9	158.3	-176.5	0	0	110.2
387	G	33.3	Very low	36.8	Very low	61 Å²	61	134.2 Å²	134.2	63%	0.629	81%	0.812	S	S	*	*			cis	125.1	127.3	14.9	0	0	0	0	0	109.4
388	Q	37.7	Very low	37	Very low	204 Å²	204	134.6 Å²	134.6	95%	0.953	81%	0.808	S	S	*	*			trans	-173.7	145.6	162.1	-113.1	158.5	91	0	0	113
389	S	31.8	Very low	37.2	Very low	122 Å²	122	139.6 Å²	139.6	85%	0.853	81%	0.814	S	S	*	*			trans	-102.9	145	177.4	-42.3	0	0	0	0	110.2
390	S	40.7	Very low	36.9	Very low	128 Å²	128	134.8 Å²	134.8	90%	0.895	81%	0.806	S	S	*	*			trans	-151.8	136.7	156.5	54.2	0	0	0	0	111.9
391	S	34.1	Very low	37.3	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	81%	0.811	S	S	*	*			trans	-111.2	139.3	175.6	45.5	0	0	0	0	109.2
392	V	40.6	Very low	37.2	Very low	150 Å²	150	131.9 Å²	131.9	91%	0.909	81%	0.807	S	S	*	*			trans	-147.1	140.4	160.7	-82.9	0	0	0	0	109.9
393	S	33.2	Very low	37.7	Very low	112 Å²	112	135 Å²	135	78%	0.783	81%	0.814	S	S	*	*			trans	-106.5	-170.5	-175.3	-50.7	0	0	0	0	111.8
394	S	38.6	Very low	37.8	Very low	117 Å²	117	134.4 Å²	134.4	82%	0.818	82%	0.816	S	S	*	*			trans	77.1	150.6	171.9	85.3	0	0	0	0	115.7
395	S	39.1	Very low	37.9	Very low	104 Å²	104	133 Å²	133	73%	0.727	82%	0.818	S	S	*	*			cis	-171.4	158.2	-23.9	50.8	0	0	0	0	108.3
396	T	40.8	Very low	38	Very low	134 Å²	134	128 Å²	128	82%	0.822	82%	0.816	S	S	*	*			trans	177.8	145.8	138.5	-75.3	0	0	0	0	111.2
397	T	38.8	Very low	37.6	Very low	118 Å²	118	122.8 Å²	122.8	72%	0.724	81%	0.808	S	S	*	*			trans	-88.3	160	-167	47.3	0	0	0	0	115.9
398	Q	43	Very low	38.2	Very low	177 Å²	177	126.1 Å²	126.1	83%	0.827	82%	0.819	S	S	*	*			trans	153.1	142.4	136.3	-86.5	175.6	70.1	0	0	110.3
399	K	37	Very low	38.1	Very low	191 Å²	191	121.5 Å²	121.5	83%	0.83	81%	0.809	S	S	*	*			cis	-164.3	140.4	-12.1	-166.9	177.9	-177.4	-179.3	0	107.4
400	A	32.8	Very low	38.7	Very low	87 Å²	87	123.8 Å²	123.8	72%	0.719	81%	0.81	S	S	*	*			trans	-92.1	177.7	172.9	0	0	0	0	0	110.7
401	P	41.8	Very low	38.6	Very low	127 Å²	127	124.4 Å²	124.4	83%	0.825	80%	0.803	S	S	*	*				-148.5	178.2	64.4	39.3	-17.8	0	0	0	117.5
402	S	36.6	Very low	39.3	Very low	110 Å²	110	124.2 Å²	124.2	77%	0.769	80%	0.802	S	S	*	*			trans	-72.7	155.5	179.2	47.8	0	0	0	0	116.7
403	I	42	Very low	39.5	Very low	170 Å²	170	123.1 Å²	123.1	87%	0.872	80%	0.798	S	S	*	*			trans	-132	136.4	148.1	-68.4	-176.6	0	0	0	108.6
404	A	37.1	Very low	39.8	Very low	100 Å²	100	121 Å²	121	83%	0.826	79%	0.794	S	S	*	*			trans	-111.9	150.3	166.9	0	0	0	0	0	109.2
405	G	39	Very low	39.8	Very low	79 Å²	79	121.4 Å²	121.4	81%	0.814	79%	0.792	S	S	*	*			trans	-157.9	127.8	177.4	0	0	0	0	0	111.3
406	A	40	Very low	40	Very low	106 Å²	106	124 Å²	124	88%	0.876	80%	0.797	S	S	*	*			trans	-85.1	176.7	176.2	0	0	0	0	0	111.6
407	G	31.8	Very low	39.9	Very low	69 Å²	69	122 Å²	122	71%	0.711	79%	0.788	S	S	*	*			trans	-67.6	-165.3	175.3	0	0	0	0	0	114.3
408	P	45.1	Very low	39.9	Very low	131 Å²	131	121.5 Å²	121.5	85%	0.851	79%	0.789	S	S	*	*			cis	-146.2	-166.9	48.7	40.8	-19.7	0	0	0	116.2
409	S	36.5	Very low	39.9	Very low	107 Å²	107	119.2 Å²	119.2	75%	0.748	79%	0.787	S	S	*	*			trans	-68.8	158.8	-175.6	-33.8	0	0	0	0	116.6
410	I	43.5	Very low	40.2	Very low	170 Å²	170	118.2 Å²	118.2	87%	0.872	79%	0.785	S	S	*	*			trans	-137.4	142.6	159.6	-56.6	-178.2	0	0	0	110
411	N	39.7	Very low	40.7	Very low	141 Å²	141	122.2 Å²	122.2	75%	0.754	79%	0.789	S	S	*	*			trans	-99.3	178.4	-171.3	-64.3	-26.3	0	0	0	114.3
412	S	48.5	Very low	40.6	Very low	109 Å²	109	123.6 Å²	123.6	76%	0.762	79%	0.789	S	S	*	*			trans	123.3	160.2	133.1	-44.7	0	0	0	0	116.1
413	P	45.1	Very low	40.4	Very low	127 Å²	127	124.2 Å²	124.2	83%	0.825	79%	0.793	S	S	*	*				-146.6	-175.6	-88.4	39.1	-16.5	0	0	0	116.9
414	G	38.9	Very low	40.5	Very low	68 Å²	68	124 Å²	124	70%	0.701	79%	0.791	S	S	*	*			trans	96.4	151.9	160.4	0	0	0	0	0	115.8
415	T	37.8	Very low	40.8	Very low	125 Å²	125	124.4 Å²	124.4	77%	0.767	79%	0.788	S	S	*	*			cis	-165.8	141.7	11.9	-71.2	0	0	0	0	110.5
416	L	43.3	Very low	40.8	Very low	159 Å²	159	130 Å²	130	83%	0.832	79%	0.793	S	S	*	*			trans	27.3	147.8	152.4	-57.9	166.4	0	0	0	121.4
417	S	38.8	Very low	41	Very low	91 Å²	91	132.2 Å²	132.2	64%	0.636	79%	0.79	S	S	*	*			cis	-179.3	149.1	-1.2	45.8	0	0	0	0	111.6
418	S	39.3	Very low	41.6	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	79%	0.792	S	S	*	*			trans	57.3	145.4	157.2	60.9	0	0	0	0	118.8
419	V	43.5	Very low	41.5	Very low	128 Å²	128	136.3 Å²	136.3	78%	0.776	79%	0.789	S	S	*	*			cis	-141.4	166.2	35.4	175.4	0	0	0	0	111.1
420	E	43.5	Very low	42	Very low	170 Å²	170	138.6 Å²	138.6	79%	0.794	79%	0.789	S	S	*	*			trans	-58.5	166.5	175.1	-59.2	142.2	144.1	0	0	112.7
421	E	42.9	Very low	42	Very low	172 Å²	172	137.4 Å²	137.4	80%	0.804	79%	0.785	S	S	*	*			cis	-154.5	155.9	38.9	-63.6	176.7	110.6	0	0	114.4
422	N	39.3	Very low	42.1	Very low	155 Å²	155	138.9 Å²	138.9	83%	0.829	79%	0.792	S	S	*	*			trans	47.5	119.8	151.3	-68.6	-27.9	0	0	0	123.3
423	C	32.9	Very low	42	Very low	124 Å²	124	139.3 Å²	139.3	84%	0.838	79%	0.786	S	S	*	*			trans	-84.5	146.4	167.8	-50.3	0	0	0	0	113.6
424	I	44.8	Very low	42	Very low	164 Å²	164	141.2 Å²	141.2	84%	0.841	79%	0.786	S	S	*	*			trans	-156.1	118.9	142.8	23.1	173.6	0	0	0	110.6
425	S	42	Very low	42.5	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	78%	0.78	S	S	*	*			trans	40	109.9	161.5	56.7	0	0	0	0	119.8
426	E	39.3	Very low	43.2	Very low	197 Å²	197	140.5 Å²	140.5	92%	0.921	77%	0.765	S	S	*	*			trans	-99.4	111.6	157.7	-64.6	178.4	138.7	0	0	109.3
427	D	44.1	Very low	43.6	Very low	151 Å²	151	136.8 Å²	136.8	81%	0.807	75%	0.747	S	S	*	*			trans	-145.5	162.7	162.8	-87.2	-51.1	0	0	0	106.7
428	D	45	Very low	44.3	Very low	140 Å²	140	135.5 Å²	135.5	75%	0.749	73%	0.734	S	S	*	*			trans	76.8	60	-174.4	-58.9	-27.1	0	0	0	117.5	M430	D428-M430 PolarHBondContact O-N 2.98Å
429	N	42.3	Very low	44.8	Very low	147 Å²	147	136.8 Å²	136.8	79%	0.786	73%	0.732	S	S	*	*			trans	-76.1	96.3	154.5	-177.7	70	0	0	0	110
430	M	48	Very low	45.4	Very low	154 Å²	154	134.5 Å²	134.5	76%	0.759	72%	0.715	S	S	*	*			trans	-81.7	116	174	-61	-172.8	-153.8	0	0	111	D428 L432	D428-M430 PolarHBondContact O-N 2.98Å; M430-L432 PolarHBondContact O-N 2.69Å
431	D	43.7	Very low	45.8	Very low	146 Å²	146	134.2 Å²	134.2	78%	0.781	72%	0.719	S	S	*	*			trans	-66	96	167.1	-74	-46.9	0	0	0	110.1	D433	D431-D433 VanDerWaalsContact C-N 3.3Å; D431-D433 PolarHBondContact O-N 3.04Å
432	L	41.3	Very low	46.3	Very low	171 Å²	171	129.6 Å²	129.6	90%	0.895	72%	0.717	S	S	*	*			trans	-77	83.3	170.7	-176.4	62.3	0	0	0	109.3	M430	M430-L432 PolarHBondContact O-N 2.69Å
433	D	45.5	Very low	47.2	Very low	118 Å²	118	126.6 Å²	126.6	63%	0.631	70%	0.701	S	S	*	*			trans	-63.8	146.7	-177.5	-150.8	-0.1	0	0	0	112	D431 L435	D431-D433 VanDerWaalsContact C-N 3.3Å; D431-D433 PolarHBondContact O-N 3.04Å; D433-L435 PolarHBondContact O-N 2.82Å
434	M	45.9	Very low	48.6	Very low	168 Å²	168	123.7 Å²	123.7	83%	0.828	68%	0.676	S	S	*	*			trans	-73	72.2	-151.9	-166.4	-167.5	73.7	0	0	115.4	S436	M434-S436 PolarHBondContact O-N 2.94Å
435	L	49.7	Very low	49.6	Very low	112 Å²	112	118.2 Å²	118.2	59%	0.586	65%	0.647	S	S	*	*			trans	-78.6	110.8	169.4	-70	176.6	0	0	0	111.4	D433 T446	D433-L435 PolarHBondContact O-N 2.82Å; L435-T446 HydrophobicContact CD2-CG2 4Å
436	S	53.1	Low	51.1	Low	65 Å²	65	113 Å²	113	46%	0.455	61%	0.611	S	S	.	*			trans	-91.4	101.1	170.2	59.4	0	0	0	0	110.7	M434 V438 S447	M434-S436 PolarHBondContact O-N 2.94Å; S436-V438 PolarHBondContact O-N 3.37Å; S436-S447 PolarHBondContact O-OG 2.82Å; S436-S447 PolarHBondContact OG-OG 2.92Å
437	D	50	Low	53	Low	82 Å²	82	104.7 Å²	104.7	44%	0.439	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.1	121	174.9	-68	-13.6	0	0	0	110.2	R140	R140-D437 IonicContact CZ-OD1 3.64Å; R140-D437 IonicContact CZ-OD2 2.92Å; R140-D437 VanDerWaalsContact NH1-CG 3.33Å; R140-D437 IonicContact NH1-OD1 3.28Å; R140-D437 IonicContact NH1-OD2 2.65Å; R140-D437 PolarHBondContact NH1-OD2 3.27Å; R140-D437 IonicContact NH2-OD1 2.91Å; R140-D437 PolarHBondContact NH2-OD1 2.92Å; R140-D437 IonicContact NH2-OD2 2.67Å; R140-D437 PolarHBondContact NH2-OD2 3.22Å
438	V	54.6	Low	54.5	Low	63 Å²	63	97.9 Å²	97.9	38%	0.382	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	109.6	-179.4	-169.3	0	0	0	0	109	S436 I440	S436-V438 PolarHBondContact O-N 3.37Å; V438-I440 HydrophobicContact CG1-CD1 4.07Å; V438-I440 HydrophobicContact CG1-CG1 3.84Å; V438-I440 PolarHBondContact O-N 3.31Å
439	L	50.3	Low	56.1	Low	136 Å²	136	93.8 Å²	93.8	71%	0.712	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	111.7	172.9	-66.6	172.7	0	0	0	109.7	E444	L439-E444 HydrophobicContact CD2-CB 4.3Å; L439-E444 HydrophobicContact CD2-CG 4.06Å
440	I	55.2	Low	57.8	Low	79 Å²	79	89.1 Å²	89.1	41%	0.405	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.5	171.9	-53.1	-176.5	0	0	0	107.9	V438 G442 N443	V438-I440 HydrophobicContact CG1-CD1 4.07Å; V438-I440 HydrophobicContact CG1-CG1 3.84Å; V438-I440 PolarHBondContact O-N 3.31Å; I440-G442 PolarHBondContact O-N 3.09Å; I440-G442 VanDerWaalsContact O-N 3.09Å; I440-N443 PolarHBondContact O-N 3.27Å
441	D	51.2	Low	59.2	Low	165 Å²	165	86.2 Å²	86.2	88%	0.882	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	28.6	177.1	-60.8	-26.6	0	0	0	116.3	N443	D441-N443 PolarHBondContact O-N 2.92Å
442	G	53.4	Low	61	Low	75 Å²	75	83.2 Å²	83.2	77%	0.773	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-4	175.4	0	0	0	0	0	115.1	I440	I440-G442 PolarHBondContact O-N 3.09Å; I440-G442 VanDerWaalsContact O-N 3.09Å
443	N	58.2	Low	63.3	Low	91 Å²	91	76.7 Å²	76.7	49%	0.487	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.3	165.9	-107.8	54	0	0	0	108.8	I440 D441 M445	I440-N443 PolarHBondContact O-N 3.27Å; D441-N443 PolarHBondContact O-N 2.92Å; N443-M445 HydrophobicContact CB-CE 4.49Å; N443-M445 PolarHBondContact O-N 3.42Å
444	E	62.2	Low	65.4	Low	64 Å²	64	78 Å²	78	30%	0.299	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	117.6	175.9	-158.7	-176.3	167.7	0	0	109.1	R140 L439	R140-E444 HydrophobicContact CB-CB 4.31Å; R140-E444 WeakPolarHBondContact CB-O 3.29Å; R140-E444 IonicContact CZ-OE1 2.92Å; R140-E444 PolarHBondContact N-O 3.32Å; R140-E444 IonicContact NE-OE1 3.6Å; R140-E444 IonicContact NH1-OE1 3.09Å; R140-E444 PolarHBondContact NH1-OE1 3.11Å; L439-E444 HydrophobicContact CD2-CB 4.3Å; L439-E444 HydrophobicContact CD2-CG 4.06Å
445	M	67	Low	67.8	Low	49 Å²	49	73.6 Å²	73.6	24%	0.241	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.4	179.3	-62.3	-168.3	-175.1	0	0	110.8	M137 V138 N443	M137-M445 HydrophobicContact CB-SD 4.19Å; M137-M445 HydrophobicContact CE-CB 3.8Å; M137-M445 HydrophobicContact CE-SD 4.45Å; V138-M445 WeakPolarHBondContact O-CA 3.43Å; N443-M445 HydrophobicContact CB-CE 4.49Å; N443-M445 PolarHBondContact O-N 3.42Å
446	T	74	Confident	69.9	Low	1 Å²	1	68.9 Å²	68.9	1%	0.006	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.7	169.8	-46.6	0	0	0	0	109.3	V138 R140 L435 Q637	V138-T446 PolarHBondContact N-O 2.87Å; V138-T446 PolarHBondContact O-N 3.46Å; R140-T446 PolarHBondContact NE-OG1 3.3Å; R140-T446 PolarHBondContact NH2-OG1 3.47Å; L435-T446 HydrophobicContact CD2-CG2 4Å; T446-Q637 HydrophobicContact CG2-CG 4.39Å; T446-Q637 PolarHBondContact OG1-OE1 3.09Å
447	S	77.9	Confident	72	Confident	21 Å²	21	65.8 Å²	65.8	15%	0.147	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	120.6	165.9	61.7	0	0	0	0	110.4	S436	S436-S447 PolarHBondContact O-OG 2.82Å; S436-S447 PolarHBondContact OG-OG 2.92Å
448	V	76.5	Confident	74.3	Confident	9 Å²	9	62.1 Å²	62.1	6%	0.055	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	107	177.3	176.9	0	0	0	0	109.6	P135 I136 V138 R633 V634	P135-V448 WeakPolarHBondContact CA-O 3.39Å; I136-V448 PolarHBondContact N-O 2.78Å; I136-V448 PolarHBondContact O-N 3.3Å; V138-V448 HydrophobicContact CG2-CG2 3.85Å; V448-R633 HydrophobicContact CG1-CB 3.54Å; V448-R633 HydrophobicContact CG1-CG 4.39Å; V448-V634 HydrophobicContact CG1-CG2 4.34Å
449	A	78.1	Confident	76.3	Confident	53 Å²	53	59.1 Å²	59.1	44%	0.438	32%	0.321	S	S	.	.			trans	-79.4	151.4	178.6	0	0	0	0	0	112.9	R633	A449-R633 PolarHBondContact O-NH1 2.8Å
450	Y	77.4	Confident	78.6	Confident	50 Å²	50	52.9 Å²	52.9	20%	0.196	29%	0.288	C	S	.	.			trans	-72.6	131.2	168.3	-175.8	-157.2	0	0	0	111.4	L133 E452 Y522 N569 W630	L133-Y450 HydrophobicContact CB-CD1 4.34Å; L133-Y450 HydrophobicContact CD1-CD1 3.99Å; L133-Y450 HydrophobicContact CD1-CE1 4.03Å; L133-Y450 HydrophobicContact CG-CD1 4.47Å; Y450-E452 HydrophobicContact CE2-CB 4.49Å; Y450-E452 PolarHBondContact OH-OE2 3.28Å; Y450-Y522 PolarHBondContact OH-OH 3.39Å; Y450-Y522 VanDerWaalsContact OH-OH 3.1Å; Y450-N569 PolarHBondContact OH-ND2 2.84Å; Y450-W630 VanDerWaalsContact CA-NE1 3.29Å; Y450-W630 VanDerWaalsContact CB-NE1 3.3Å; Y450-W630 HydrophobicContact CD1-CH2 4.26Å; Y450-W630 AromaticContact CD1-CZ2 3.52Å; Y450-W630 HydrophobicContact CD1-CZ2 3.52Å; Y450-W630 AromaticContact CD2-CD1 3.98Å; Y450-W630 HydrophobicContact CD2-CD2 4.02Å; Y450-W630 AromaticContact CD2-CE2 3.08Å; Y450-W630 HydrophobicContact CD2-CH2 4.04Å; Y450-W630 AromaticContact CD2-CZ2 3.13Å; Y450-W630 HydrophobicContact CD2-CZ2 3.13Å; Y450-W630 AromaticContact CD2-NE1 3.11Å; Y450-W630 HydrophobicContact CE1-CH2 4.02Å; Y450-W630 AromaticContact CE1-CZ2 3.73Å; Y450-W630 HydrophobicContact CE1-CZ2 3.73Å; Y450-W630 HydrophobicContact CE2-CD2 4.2Å; Y450-W630 AromaticContact CE2-CE2 3.56Å; Y450-W630 AromaticContact CE2-CH2 3.81Å; Y450-W630 HydrophobicContact CE2-CH2 3.81Å; Y450-W630 AromaticContact CE2-CZ2 3.37Å; Y450-W630 HydrophobicContact CE2-CZ2 3.37Å; Y450-W630 HydrophobicContact CE2-CZ3 4.44Å; Y450-W630 AromaticContact CG-CE2 3.49Å; Y450-W630 VanDerWaalsContact CG-CE2 3.49Å; Y450-W630 HydrophobicContact CG-CH2 4.25Å; Y450-W630 AromaticContact CG-CZ2 3.19Å; Y450-W630 HydrophobicContact CG-CZ2 3.19Å; Y450-W630 AromaticContact CG-NE1 3.45Å; Y450-W630 AromaticContact CZ-CH2 3.77Å; Y450-W630 AromaticContact CZ-CZ2 3.65Å
451	Q	78.7	Confident	80.7	Confident	93 Å²	93	49.2 Å²	49.2	44%	0.435	27%	0.269	S	S	.	.			trans	-129.4	140.6	162.5	-168.7	170.7	15.9	0	0	108.2	Q629	Q451-Q629 PolarHBondContact O-OE1 2.75Å
452	E	80.1	Confident	83	Confident	82 Å²	82	43.3 Å²	43.3	38%	0.383	24%	0.235	S	C	.	.			trans	-98.6	126.2	176.7	-161.5	174.7	109.1	0	0	109.1	N130 Y450 Y522	N130-E452 PolarHBondContact ND2-OE2 2.74Å; Y450-E452 HydrophobicContact CE2-CB 4.49Å; Y450-E452 PolarHBondContact OH-OE2 3.28Å; E452-Y522 VanDerWaalsContact CD-CE1 3.5Å; E452-Y522 WeakPolarHBondContact OE1-CE1 3.43Å; E452-Y522 WeakPolarHBondContact OE2-CE1 3.42Å; E452-Y522 PolarHBondContact OE2-OH 3.42Å
453	P	89.9	Confident	85.1	Confident	34 Å²	34	39.9 Å²	39.9	22%	0.221	20%	0.199	C	C	.	.			trans	-76	154.8	179.9	29.7	-34.5	0	0	0	112	Y455 N625	P453-Y455 VanDerWaalsContact C-N 3.27Å; P453-Y455 PolarHBondContact O-N 3.25Å; P453-N625 HydrophobicContact CG-CB 3.73Å
454	E	90.9	Very high	87	Confident	147 Å²	147	38.8 Å²	38.8	69%	0.687	19%	0.192	S	C	*	.	S	Bend	trans	-52	-44.1	178.5	-178.5	-176.2	178.6	0	0	112.8	S475	E454-S475 VanDerWaalsContact O-CA 3.26Å; E454-S475 WeakPolarHBondContact O-CA 3.32Å; E454-S475 WeakPolarHBondContact O-CB 3.36Å
455	Y	94.8	Very high	88.6	Confident	75 Å²	75	41.7 Å²	41.7	29%	0.294	21%	0.209	S	C	.	.	S	Bend	trans	-97.5	109.1	171	-58.3	-75.8	0	0	0	108.8	P453 C457 H473 C474 N625	P453-Y455 VanDerWaalsContact C-N 3.27Å; P453-Y455 PolarHBondContact O-N 3.25Å; Y455-C457 VanDerWaalsContact C-N 3.28Å; Y455-C457 PolarHBondContact O-N 2.83Å; Y455-H473 HydrophobicContact CD1-CB 3.65Å; Y455-H473 HydrophobicContact CD2-CB 4.48Å; Y455-H473 HydrophobicContact CE1-CB 4.03Å; Y455-H473 HydrophobicContact CG-CB 3.91Å; Y455-C474 CarbonylContact C-O 3.58Å; Y455-C474 WeakPolarHBondContact CA-O 3.5Å; Y455-N625 VanDerWaalsContact O-CB 3.29Å; Y455-N625 WeakPolarHBondContact O-CB 3.34Å; Y455-N625 PolarHBondContact O-ND2 2.98Å
456	W	94.4	Very high	90.1	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.045	21%	0.212	C	C	.	.	S	Bend	trans	-70.5	-25.2	-179.6	68.3	-91.3	0	0	0	112.7	C474 S476 L520 Y522 V527 L624 N625	W456-C474 PolarHBondContact N-O 2.94Å; W456-C474 VanDerWaalsContact N-O 3.08Å; W456-S476 PolarHBondContact NE1-O 2.96Å; W456-L520 HydrophobicContact CH2-CB 4.15Å; W456-Y522 HydrophobicContact CB-CD1 4.2Å; W456-Y522 HydrophobicContact CB-CE1 4.48Å; W456-Y522 HydrophobicContact CD2-CD1 4.46Å; W456-Y522 HydrophobicContact CD2-CG 4.03Å; W456-Y522 HydrophobicContact CE3-CD2 4.25Å; W456-Y522 HydrophobicContact CE3-CG 4.06Å; W456-Y522 HydrophobicContact CG-CD1 4.18Å; W456-Y522 HydrophobicContact CG-CG 4.23Å; W456-V527 HydrophobicContact CH2-CG1 4.22Å; W456-V527 HydrophobicContact CZ3-CG1 3.98Å; W456-V527 HydrophobicContact CZ3-CG2 4Å; W456-L624 HydrophobicContact CE3-CD2 4.07Å; W456-L624 HydrophobicContact CZ3-CD2 3.82Å; W456-N625 PolarHBondContact O-N 3.32Å
457	C	97	Very high	91.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	160.4	173.6	67.7	0	0	0	0	114.9	Y455 L459 C474 I622 H623 L624	Y455-C457 VanDerWaalsContact C-N 3.28Å; Y455-C457 PolarHBondContact O-N 2.83Å; C457-L459 HydrophobicContact CB-CD1 4.36Å; C457-L459 WeakPolarHBondContact SG-CD1 3.46Å; C457-C474 PolarHBondContact O-N 2.88Å; C457-I622 HydrophobicContact CB-CG2 4.08Å; C457-H623 CarbonylContact C-O 3.54Å; C457-H623 WeakPolarHBondContact CA-O 3.39Å; C457-H623 VanDerWaalsContact CB-O 3.23Å; C457-H623 WeakPolarHBondContact CB-O 3.13Å; C457-L624 HydrophobicContact CB-CD2 4.16Å
458	S	97.6	Very high	92.2	Very high	6 Å²	6	46.1 Å²	46.1	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.6	173.6	-45.2	0	0	0	0	109.3	F472 H623 N625	S458-F472 CarbonylContact C-O 3.49Å; S458-F472 WeakPolarHBondContact CA-O 3.48Å; S458-H623 PolarHBondContact N-O 3.05Å; S458-H623 PolarHBondContact O-N 3.39Å; S458-N625 PolarHBondContact OG-ND2 3.09Å; S458-N625 PolarHBondContact OG-OD1 2.88Å
459	L	98.1	Very high	93.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.3	-175.9	-76.6	82.5	0	0	0	112.4	C457 F472 L479 V481 F493 L520 I620 E621 I622	C457-L459 HydrophobicContact CB-CD1 4.36Å; C457-L459 WeakPolarHBondContact SG-CD1 3.46Å; L459-F472 HydrophobicContact CB-CB 4.29Å; L459-F472 PolarHBondContact N-O 3.4Å; L459-F472 PolarHBondContact O-N 3.46Å; L459-L479 HydrophobicContact CD1-CD2 3.54Å; L459-L479 HydrophobicContact CD2-CD2 3.84Å; L459-L479 HydrophobicContact CG-CD2 4.37Å; L459-V481 HydrophobicContact CD2-CG2 3.52Å; L459-F493 HydrophobicContact CB-CD1 4.17Å; L459-F493 HydrophobicContact CB-CE1 4.13Å; L459-F493 HydrophobicContact CD2-CD1 4.16Å; L459-L520 HydrophobicContact CD2-CD1 4.37Å; L459-I620 HydrophobicContact CD2-CD1 4.09Å; L459-E621 WeakPolarHBondContact CA-O 3.33Å; L459-I622 HydrophobicContact CD1-CG2 4.36Å; L459-I622 HydrophobicContact CD2-CG1 4.34Å; L459-I622 HydrophobicContact CG-CG1 4.17Å; L459-I622 HydrophobicContact CG-CG2 4.39Å
460	Y	98.5	Very high	94	Very high	5 Å²	5	51.4 Å²	51.4	2%	0.02	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.2	178.6	-53.3	-83.3	0	0	0	109.1	Y187 T471 I620 E621 H623	Y187-Y460 WeakPolarHBondContact CE1-OH 3.34Å; Y187-Y460 PolarHBondContact OH-OH 3.06Å; Y460-T471 HydrophobicContact CD1-CG2 4.19Å; Y460-T471 HydrophobicContact CE1-CG2 3.44Å; Y460-T471 VanDerWaalsContact CE1-CG2 3.44Å; Y460-T471 WeakPolarHBondContact CE1-OG1 3.39Å; Y460-T471 HydrophobicContact CE2-CG2 4.48Å; Y460-T471 WeakPolarHBondContact OH-CG2 3.5Å; Y460-I620 CarbonylContact O-C 3.59Å; Y460-I620 WeakPolarHBondContact O-CA 3.33Å; Y460-E621 HydrophobicContact CD2-CB 4.42Å; Y460-E621 PolarHBondContact N-O 2.79Å; Y460-E621 PolarHBondContact O-N 3.01Å; Y460-H623 HydrophobicContact CE2-CB 4.39Å; Y460-H623 AromaticContact CE2-CG 3.91Å; Y460-H623 AromaticContact CE2-ND1 3.63Å
461	Y	98.6	Very high	94.9	Very high	1 Å²	1	51 Å²	51	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140	175.6	176.7	-120	0	0	0	111.6	E463 V468 L495 L498 R511 C618 W619 I620	Y461-E463 HydrophobicContact CE1-CG 3.72Å; Y461-E463 WeakPolarHBondContact CE1-OE1 3.25Å; Y461-E463 WeakPolarHBondContact OH-CG 3.42Å; Y461-E463 PolarHBondContact OH-OE1 3.01Å; Y461-E463 VanDerWaalsContact OH-OE1 3.06Å; Y461-V468 HydrophobicContact CD1-CB 3.74Å; Y461-V468 HydrophobicContact CD1-CG1 3.88Å; Y461-V468 HydrophobicContact CE1-CB 4.04Å; Y461-V468 HydrophobicContact CE1-CG1 3.94Å; Y461-V468 PolarHBondContact O-N 2.56Å; Y461-L495 HydrophobicContact CD1-CD2 4.18Å; Y461-L495 HydrophobicContact CD2-CD1 3.78Å; Y461-L495 HydrophobicContact CD2-CD2 3.82Å; Y461-L495 HydrophobicContact CD2-CG 4.34Å; Y461-L495 HydrophobicContact CE2-CD1 3.76Å; Y461-L495 HydrophobicContact CE2-CD2 4.42Å; Y461-L495 HydrophobicContact CG-CD1 4.47Å; Y461-L495 HydrophobicContact CG-CD2 3.68Å; Y461-L498 HydrophobicContact CD1-CD1 3.57Å; Y461-L498 HydrophobicContact CE1-CD1 4.28Å; Y461-L498 HydrophobicContact CG-CD1 4.21Å; Y461-R511 PolarHBondContact OH-NH1 3.02Å; Y461-C618 HydrophobicContact CE2-CB 4.11Å; Y461-C618 PolarHBondContact OH-SG 2.96Å; Y461-C618 VanDerWaalsContact OH-SG 3.35Å; Y461-W619 VanDerWaalsContact CD2-O 3.24Å; Y461-W619 WeakPolarHBondContact CD2-O 3.31Å; Y461-I620 HydrophobicContact CD2-CG2 3.96Å
462	Y	98.7	Very high	95.7	Very high	42 Å²	42	48 Å²	48	17%	0.165	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.4	-178.4	-68.5	-92.2	0	0	0	111.7	T466 R467 W619 E621	Y462-T466 VanDerWaalsContact CA-O 3.3Å; Y462-T466 WeakPolarHBondContact CA-O 3.33Å; Y462-R467 HydrophobicContact CD1-CB 3.96Å; Y462-R467 HydrophobicContact CE1-CB 3.66Å; Y462-R467 HydrophobicContact CE1-CG 4.25Å; Y462-W619 HydrophobicContact CD1-CH2 4.27Å; Y462-W619 AromaticContact CD1-CZ2 3.88Å; Y462-W619 HydrophobicContact CD1-CZ2 3.88Å; Y462-W619 HydrophobicContact CD2-CD2 4.27Å; Y462-W619 HydrophobicContact CD2-CE3 4.13Å; Y462-W619 AromaticContact CD2-CH2 3.64Å; Y462-W619 HydrophobicContact CD2-CH2 3.64Å; Y462-W619 AromaticContact CD2-CZ2 3.8Å; Y462-W619 HydrophobicContact CD2-CZ2 3.8Å; Y462-W619 AromaticContact CD2-CZ3 3.84Å; Y462-W619 HydrophobicContact CD2-CZ3 3.84Å; Y462-W619 HydrophobicContact CE1-CZ2 4.49Å; Y462-W619 AromaticContact CE2-CH2 3.92Å; Y462-W619 HydrophobicContact CE2-CH2 3.92Å; Y462-W619 HydrophobicContact CE2-CZ2 4.42Å; Y462-W619 HydrophobicContact CE2-CZ3 4.19Å; Y462-W619 HydrophobicContact CG-CD2 4.3Å; Y462-W619 AromaticContact CG-CE2 3.75Å; Y462-W619 AromaticContact CG-CH2 3.85Å; Y462-W619 HydrophobicContact CG-CH2 3.85Å; Y462-W619 AromaticContact CG-CZ2 3.5Å; Y462-W619 HydrophobicContact CG-CZ2 3.5Å; Y462-W619 HydrophobicContact CG-CZ3 4.39Å; Y462-W619 PolarHBondContact N-O 3.34Å; Y462-W619 PolarHBondContact O-N 2.86Å; Y462-E621 HydrophobicContact CD2-CB 4.5Å; Y462-E621 HydrophobicContact CE2-CB 3.98Å
463	E	98.4	Very high	96.5	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	111.4	167	-66.8	-178.1	-177.4	0	0	107.7	Y461 N465 T466 V468 N500 R503 I507 R511 P617	Y461-E463 HydrophobicContact CE1-CG 3.72Å; Y461-E463 WeakPolarHBondContact CE1-OE1 3.25Å; Y461-E463 WeakPolarHBondContact OH-CG 3.42Å; Y461-E463 PolarHBondContact OH-OE1 3.01Å; Y461-E463 VanDerWaalsContact OH-OE1 3.06Å; E463-N465 PolarHBondContact O-N 2.9Å; E463-T466 PolarHBondContact N-O 2.78Å; E463-T466 PolarHBondContact O-N 2.93Å; E463-V468 HydrophobicContact CB-CG2 3.97Å; E463-V468 HydrophobicContact CG-CB 4.49Å; E463-V468 HydrophobicContact CG-CG2 3.93Å; E463-N500 WeakPolarHBondContact OE2-CB 3.36Å; E463-N500 PolarHBondContact OE2-ND2 2.98Å; E463-R503 IonicContact OE1-CZ 3.24Å; E463-R503 VanDerWaalsContact OE1-CZ 3.28Å; E463-R503 IonicContact OE1-NE 2.7Å; E463-R503 PolarHBondContact OE1-NE 2.76Å; E463-R503 VanDerWaalsContact OE1-NE 3.09Å; E463-R503 IonicContact OE1-NH2 3.42Å; E463-R503 PolarHBondContact OE1-NH2 2.91Å; E463-R503 IonicContact OE2-CZ 2.73Å; E463-R503 IonicContact OE2-NE 3.57Å; E463-R503 PolarHBondContact OE2-NE 2.86Å; E463-R503 IonicContact OE2-NH2 2.66Å; E463-R503 PolarHBondContact OE2-NH2 3.16Å; E463-I507 HydrophobicContact CB-CD1 4.31Å; E463-I507 HydrophobicContact CB-CG2 4.11Å; E463-I507 VanDerWaalsContact CD-CG2 3.5Å; E463-I507 HydrophobicContact CG-CG2 3.8Å; E463-I507 WeakPolarHBondContact OE2-CG2 3.38Å; E463-R511 WeakPolarHBondContact OE1-CD 3.45Å; E463-R511 IonicContact OE1-CZ 3.65Å; E463-R511 IonicContact OE1-NE 3.77Å; E463-R511 IonicContact OE1-NH1 3.39Å; E463-R511 PolarHBondContact OE1-NH1 2.89Å; E463-P617 WeakPolarHBondContact CA-O 3.42Å
464	M	97.7	Very high	96.7	Very high	69 Å²	69	45.6 Å²	45.6	34%	0.34	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	-114.3	-168.2	-56.7	-68.5	-65.5	0	0	111.7	I507 T614 T616 W619	M464-I507 HydrophobicContact CG-CD1 4Å; M464-I507 HydrophobicContact CG-CG1 4.4Å; M464-T614 CarbonylContact C-O 3.6Å; M464-T614 VanDerWaalsContact CA-O 3.24Å; M464-T614 WeakPolarHBondContact CA-O 3.27Å; M464-T614 WeakPolarHBondContact O-CA 3.44Å; M464-T616 WeakPolarHBondContact CA-O 3.36Å; M464-T616 PolarHBondContact N-O 3.12Å; M464-W619 PolarHBondContact O-NE1 2.78Å
465	N	97.3	Very high	96.8	Very high	124 Å²	124	41.4 Å²	41.4	66%	0.663	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	1.8	174.8	66.3	-27.2	0	0	0	113.5	E463 T614	E463-N465 PolarHBondContact O-N 2.9Å; N465-T614 HydrophobicContact CB-CG2 4.31Å
466	T	98	Very high	96.6	Very high	51 Å²	51	38.5 Å²	38.5	31%	0.313	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.1	-176.8	-56.6	0	0	0	0	110	Y462 E463 V468	Y462-T466 VanDerWaalsContact CA-O 3.3Å; Y462-T466 WeakPolarHBondContact CA-O 3.33Å; E463-T466 PolarHBondContact N-O 2.78Å; E463-T466 PolarHBondContact O-N 2.93Å; T466-V468 HydrophobicContact CG2-CG2 4.36Å
467	R	98.1	Very high	96.4	Very high	109 Å²	109	40.3 Å²	40.3	41%	0.411	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.1	169.5	-177.4	178.3	164.2	166.4	1.9	109.5	Y462 T471	Y462-R467 HydrophobicContact CD1-CB 3.96Å; Y462-R467 HydrophobicContact CE1-CB 3.66Å; Y462-R467 HydrophobicContact CE1-CG 4.25Å; R467-T471 VanDerWaalsContact NH2-N 3.19Å; R467-T471 PolarHBondContact NH2-OG1 2.83Å
468	V	98.1	Very high	96.1	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.03	22%	0.222	C	C	.	.			trans	-130.7	117.6	-175.2	175	0	0	0	0	109.8	Y461 E463 T466 L498 S499 N500	Y461-V468 HydrophobicContact CD1-CB 3.74Å; Y461-V468 HydrophobicContact CD1-CG1 3.88Å; Y461-V468 HydrophobicContact CE1-CB 4.04Å; Y461-V468 HydrophobicContact CE1-CG1 3.94Å; Y461-V468 PolarHBondContact O-N 2.56Å; E463-V468 HydrophobicContact CB-CG2 3.97Å; E463-V468 HydrophobicContact CG-CB 4.49Å; E463-V468 HydrophobicContact CG-CG2 3.93Å; T466-V468 HydrophobicContact CG2-CG2 4.36Å; V468-L498 HydrophobicContact CG1-CB 4.01Å; V468-S499 WeakPolarHBondContact CG1-O 3.42Å; V468-N500 HydrophobicContact CG1-CB 4.09Å; V468-N500 HydrophobicContact CG2-CB 3.96Å
469	G	96.1	Very high	96	Very high	33 Å²	33	40.4 Å²	40.4	34%	0.34	22%	0.22	S	C	.	.	S	Bend	trans	83	175	-178.5	0	0	0	0	0	115
470	D	95	Very high	95.9	Very high	139 Å²	139	41.5 Å²	41.5	74%	0.743	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-73.4	168.1	-177.6	-56.8	-50.7	0	0	0	112.7
471	T	96.6	Very high	95.9	Very high	41 Å²	41	41.2 Å²	41.2	25%	0.252	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-69.4	129	170.1	-47.8	0	0	0	0	109.3	Y460 R467 H473	Y460-T471 HydrophobicContact CD1-CG2 4.19Å; Y460-T471 HydrophobicContact CE1-CG2 3.44Å; Y460-T471 VanDerWaalsContact CE1-CG2 3.44Å; Y460-T471 WeakPolarHBondContact CE1-OG1 3.39Å; Y460-T471 HydrophobicContact CE2-CG2 4.48Å; Y460-T471 WeakPolarHBondContact OH-CG2 3.5Å; R467-T471 VanDerWaalsContact NH2-N 3.19Å; R467-T471 PolarHBondContact NH2-OG1 2.83Å; T471-H473 VanDerWaalsContact CG2-NE2 3.33Å; T471-H473 WeakPolarHBondContact CG2-NE2 3.15Å
472	F	96.4	Very high	95.9	Very high	32 Å²	32	41.4 Å²	41.4	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.7	171.2	-172.7	-79.2	0	0	0	110	S458 L459 C474 L479 H490 F493	S458-F472 CarbonylContact C-O 3.49Å; S458-F472 WeakPolarHBondContact CA-O 3.48Å; L459-F472 HydrophobicContact CB-CB 4.29Å; L459-F472 PolarHBondContact N-O 3.4Å; L459-F472 PolarHBondContact O-N 3.46Å; F472-C474 HydrophobicContact CD1-CB 4.42Å; F472-C474 HydrophobicContact CE1-CB 4.01Å; F472-L479 HydrophobicContact CD1-CD1 4.24Å; F472-L479 HydrophobicContact CD1-CD2 4.41Å; F472-L479 HydrophobicContact CE1-CD1 3.44Å; F472-L479 VanDerWaalsContact CE1-CD1 3.44Å; F472-L479 HydrophobicContact CE1-CD2 4.26Å; F472-L479 HydrophobicContact CZ-CD1 3.89Å; F472-H490 WeakPolarHBondContact CZ-O 3.23Å; F472-F493 HydrophobicContact CB-CB 4.43Å; F472-F493 HydrophobicContact CB-CD1 3.84Å; F472-F493 HydrophobicContact CB-CD2 3.86Å; F472-F493 HydrophobicContact CB-CE1 3.95Å; F472-F493 HydrophobicContact CB-CE2 3.97Å; F472-F493 HydrophobicContact CB-CG 3.8Å; F472-F493 HydrophobicContact CB-CZ 4.02Å; F472-F493 HydrophobicContact CD1-CB 4.1Å; F472-F493 HydrophobicContact CD1-CG 4.38Å; F472-F493 HydrophobicContact CD2-CB 3.69Å; F472-F493 AromaticContact CD2-CD2 3.54Å; F472-F493 HydrophobicContact CD2-CD2 3.54Å; F472-F493 HydrophobicContact CD2-CE2 4.3Å; F472-F493 AromaticContact CD2-CG 3.71Å; F472-F493 HydrophobicContact CD2-CG 3.71Å; F472-F493 HydrophobicContact CE1-CB 4.3Å; F472-F493 HydrophobicContact CE2-CB 3.89Å; F472-F493 HydrophobicContact CE2-CD2 4.35Å; F472-F493 HydrophobicContact CE2-CG 4.39Å; F472-F493 HydrophobicContact CG-CB 3.8Å; F472-F493 HydrophobicContact CG-CD1 4.14Å; F472-F493 AromaticContact CG-CD2 3.89Å; F472-F493 HydrophobicContact CG-CD2 3.89Å; F472-F493 HydrophobicContact CG-CE2 4.48Å; F472-F493 AromaticContact CG-CG 3.7Å; F472-F493 HydrophobicContact CG-CG 3.7Å; F472-F493 HydrophobicContact CZ-CB 4.19Å
473	H	96.1	Very high	95.9	Very high	64 Å²	64	40.3 Å²	40.3	30%	0.296	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	137.3	176.8	-54.1	99.3	0	0	0	109.9	Y455 T471	Y455-H473 HydrophobicContact CD1-CB 3.65Å; Y455-H473 HydrophobicContact CD2-CB 4.48Å; Y455-H473 HydrophobicContact CE1-CB 4.03Å; Y455-H473 HydrophobicContact CG-CB 3.91Å; T471-H473 VanDerWaalsContact CG2-NE2 3.33Å; T471-H473 WeakPolarHBondContact CG2-NE2 3.15Å
474	C	94.4	Very high	95.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119.2	-177.2	-164	0	0	0	0	112.8	Y455 W456 C457 F472 S476 L479	Y455-C474 CarbonylContact C-O 3.58Å; Y455-C474 WeakPolarHBondContact CA-O 3.5Å; W456-C474 PolarHBondContact N-O 2.94Å; W456-C474 VanDerWaalsContact N-O 3.08Å; C457-C474 PolarHBondContact O-N 2.88Å; F472-C474 HydrophobicContact CD1-CB 4.42Å; F472-C474 HydrophobicContact CE1-CB 4.01Å; C474-S476 PolarHBondContact SG-O 3.1Å; C474-S476 VanDerWaalsContact SG-O 3.33Å; C474-L479 HydrophobicContact CB-CD2 3.95Å
475	S	92.6	Very high	95.7	Very high	59 Å²	59	46.4 Å²	46.4	41%	0.413	26%	0.262	S	S	.	.			trans	-97.5	-23	171.4	53.6	0	0	0	0	112.5	E454	E454-S475 VanDerWaalsContact O-CA 3.26Å; E454-S475 WeakPolarHBondContact O-CA 3.32Å; E454-S475 WeakPolarHBondContact O-CB 3.36Å
476	S	90.5	Very high	95.5	Very high	15 Å²	15	42.6 Å²	42.6	11%	0.105	24%	0.241	C	C	.	.	S	Bend	trans	-65.7	133.2	174.6	-176.4	0	0	0	0	110.6	W456 C474 C478	W456-S476 PolarHBondContact NE1-O 2.96Å; C474-S476 PolarHBondContact SG-O 3.1Å; C474-S476 VanDerWaalsContact SG-O 3.33Å; S476-C478 PolarHBondContact O-N 2.89Å; S476-C478 PolarHBondContact OG-N 2.68Å; S476-C478 PolarHBondContact OG-O 3.34Å
477	P	89.8	Confident	95.1	Very high	49 Å²	49	44.5 Å²	44.5	32%	0.318	25%	0.254	S	S	.	.	S	Bend	trans	-65.7	-5.1	175.8	29	-36.8	0	0	0	113	Y521 Y522	P477-Y521 WeakPolarHBondContact O-CA 3.29Å; P477-Y522 WeakPolarHBondContact CB-O 3.25Å; P477-Y522 PolarHBondContact O-N 3.09Å
478	C	91.8	Very high	94.4	Very high	9 Å²	9	46.2 Å²	46.2	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	112.4	179.1	-177.9	0	0	0	0	110.4	H96 S476 K519 Y521	H96-C478 HydrophobicContact CB-CB 3.84Å; S476-C478 PolarHBondContact O-N 2.89Å; S476-C478 PolarHBondContact OG-N 2.68Å; S476-C478 PolarHBondContact OG-O 3.34Å; C478-K519 WeakPolarHBondContact SG-CE 3.39Å; C478-Y521 HydrophobicContact CB-CD1 4.41Å
479	L	95	Very high	93.7	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142	178.2	175.3	56.5	0	0	0	110	L459 F472 C474 V481 F493 K519 L520	L459-L479 HydrophobicContact CD1-CD2 3.54Å; L459-L479 HydrophobicContact CD2-CD2 3.84Å; L459-L479 HydrophobicContact CG-CD2 4.37Å; F472-L479 HydrophobicContact CD1-CD1 4.24Å; F472-L479 HydrophobicContact CD1-CD2 4.41Å; F472-L479 HydrophobicContact CE1-CD1 3.44Å; F472-L479 VanDerWaalsContact CE1-CD1 3.44Å; F472-L479 HydrophobicContact CE1-CD2 4.26Å; F472-L479 HydrophobicContact CZ-CD1 3.89Å; C474-L479 HydrophobicContact CB-CD2 3.95Å; L479-V481 HydrophobicContact CD2-CG2 4.3Å; L479-V481 HydrophobicContact CG-CG2 4.25Å; L479-F493 HydrophobicContact CD1-CB 4.47Å; L479-K519 CarbonylContact O-C 3.47Å; L479-K519 WeakPolarHBondContact O-CA 3.48Å; L479-L520 HydrophobicContact CB-CB 4.34Å; L479-L520 HydrophobicContact CD2-CD1 4.32Å; L479-L520 PolarHBondContact N-O 3.47Å; L479-L520 PolarHBondContact O-N 3.35Å
480	T	97.1	Very high	93.2	Very high	22 Å²	22	57.2 Å²	57.2	14%	0.135	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.7	165.3	-56.7	0	0	0	0	110.1	D482 N491 R492 F493 V518 L532	T480-D482 HydrophobicContact CG2-CB 4.25Å; T480-N491 PolarHBondContact N-O 2.92Å; T480-R492 CarbonylContact O-C 3.57Å; T480-R492 VanDerWaalsContact O-CA 3.25Å; T480-R492 WeakPolarHBondContact O-CA 3.41Å; T480-F493 PolarHBondContact O-N 3.05Å; T480-V518 CarbonylContact C-O 3.53Å; T480-V518 WeakPolarHBondContact CA-O 3.43Å; T480-L532 HydrophobicContact CG2-CD1 4.37Å
481	V	98.3	Very high	93	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.9	173.6	-172.5	0	0	0	0	107.2	L459 L479 F493 L495 G517 V518 F600 I620	L459-V481 HydrophobicContact CD2-CG2 3.52Å; L479-V481 HydrophobicContact CD2-CG2 4.3Å; L479-V481 HydrophobicContact CG-CG2 4.25Å; V481-F493 WeakPolarHBondContact CA-O 3.41Å; V481-F493 HydrophobicContact CB-CB 4.48Å; V481-F493 HydrophobicContact CG1-CB 4.23Å; V481-F493 HydrophobicContact CG1-CD1 3.92Å; V481-F493 HydrophobicContact CG1-CG 4.34Å; V481-F493 HydrophobicContact CG2-CB 4.2Å; V481-F493 HydrophobicContact CG2-CD1 4.39Å; V481-L495 HydrophobicContact CG1-CD1 3.71Å; V481-L495 HydrophobicContact CG1-CD2 3.97Å; V481-L495 HydrophobicContact CG1-CG 3.76Å; V481-G517 CarbonylContact O-C 3.51Å; V481-G517 VanDerWaalsContact O-CA 3.29Å; V481-G517 WeakPolarHBondContact O-CA 3.34Å; V481-V518 HydrophobicContact CB-CG1 3.86Å; V481-V518 HydrophobicContact CG2-CG1 4.27Å; V481-V518 PolarHBondContact N-O 2.85Å; V481-V518 PolarHBondContact O-N 2.87Å; V481-F600 HydrophobicContact CB-CZ 4.46Å; V481-F600 HydrophobicContact CG1-CZ 4.03Å; V481-I620 HydrophobicContact CG1-CD1 4.38Å; V481-I620 HydrophobicContact CG1-CG2 4.42Å; V481-I620 HydrophobicContact CG2-CD1 4.23Å
482	D	98.2	Very high	93	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	169.8	-169.2	72.4	52.3	0	0	0	113.6	T480 F484 R492 F493 C494 L495 G515	T480-D482 HydrophobicContact CG2-CB 4.25Å; D482-F484 HydrophobicContact CB-CD2 4.08Å; D482-F484 WeakPolarHBondContact OD1-CA 3.44Å; D482-F484 VanDerWaalsContact OD1-CB 3.27Å; D482-F484 WeakPolarHBondContact OD1-CB 3.28Å; D482-F484 WeakPolarHBondContact OD1-CD2 3.44Å; D482-F484 PolarHBondContact OD1-N 3.36Å; D482-R492 IonicContact OD1-NH2 3.36Å; D482-R492 PolarHBondContact OD1-NH2 3.21Å; D482-R492 IonicContact OD2-CZ 3.14Å; D482-R492 IonicContact OD2-NE 3.48Å; D482-R492 PolarHBondContact OD2-NE 3.18Å; D482-R492 IonicContact OD2-NH2 2.76Å; D482-R492 PolarHBondContact OD2-NH2 3.1Å; D482-F493 PolarHBondContact N-O 3.26Å; D482-C494 PolarHBondContact OD1-SG 2.84Å; D482-L495 WeakPolarHBondContact O-CB 3.27Å; D482-L495 PolarHBondContact O-N 3.5Å; D482-G515 WeakPolarHBondContact CB-O 3.37Å
483	G	97.8	Very high	93	Very high	20 Å²	20	51.9 Å²	51.9	21%	0.206	28%	0.276	C	S	.	.	S	Bend	trans	-90.7	10.3	-178	0	0	0	0	0	114.5	G496 G515	G483-G496 WeakPolarHBondContact O-CA 3.48Å; G483-G515 PolarHBondContact N-O 3.29Å
484	F	97.2	Very high	93	Very high	101 Å²	101	49.1 Å²	49.1	44%	0.443	26%	0.263	S	S	.	.	S	Bend	trans	-91.1	-167.8	-179.4	-53.5	-60.5	0	0	0	111.4	D482 C494 G496 G515 K516	D482-F484 HydrophobicContact CB-CD2 4.08Å; D482-F484 WeakPolarHBondContact OD1-CA 3.44Å; D482-F484 VanDerWaalsContact OD1-CB 3.27Å; D482-F484 WeakPolarHBondContact OD1-CB 3.28Å; D482-F484 WeakPolarHBondContact OD1-CD2 3.44Å; D482-F484 PolarHBondContact OD1-N 3.36Å; F484-C494 WeakPolarHBondContact O-CB 3.35Å; F484-G496 WeakPolarHBondContact O-CA 3.36Å; F484-G496 PolarHBondContact O-N 2.86Å; F484-G515 WeakPolarHBondContact CE2-O 3.34Å; F484-K516 HydrophobicContact CE2-CG 4.21Å; F484-K516 HydrophobicContact CZ-CG 4.37Å
485	T	96.2	Very high	93.2	Very high	98 Å²	98	49.1 Å²	49.1	60%	0.601	26%	0.263	S	S	*	.			trans	-133.9	37.5	-163.3	62.8	0	0	0	0	113.3	P487 L497	T485-P487 WeakPolarHBondContact O-CD 3.24Å; T485-L497 HydrophobicContact CG2-CB 4.39Å
486	D	92.3	Very high	93.4	Very high	43 Å²	43	47.5 Å²	47.5	23%	0.23	26%	0.256	C	S	.	.			trans	-99.7	104.3	179.8	-176.1	-5	0	0	0	110	N488 R489 R492 C494	D486-N488 PolarHBondContact OD1-N 3.14Å; D486-R489 VanDerWaalsContact OD2-CD 3.31Å; D486-R489 WeakPolarHBondContact OD2-CD 3.43Å; D486-R489 IonicContact OD2-CZ 2.71Å; D486-R489 IonicContact OD2-NE 2.75Å; D486-R489 PolarHBondContact OD2-NE 3.13Å; D486-R489 IonicContact OD2-NH2 3.82Å; D486-R492 IonicContact OD2-NH1 3.76Å; D486-R492 PolarHBondContact OD2-NH1 3.14Å; D486-C494 PolarHBondContact N-SG 3.33Å; D486-C494 VanDerWaalsContact N-SG 3.42Å; D486-C494 PolarHBondContact O-SG 2.9Å
487	P	89.1	Confident	93.6	Very high	92 Å²	92	50.7 Å²	50.7	60%	0.597	27%	0.271	S	S	*	.			trans	-79.8	-16	-175.8	32.1	-35.3	0	0	0	113.5	T485 R489 L497	T485-P487 WeakPolarHBondContact O-CD 3.24Å; P487-R489 PolarHBondContact O-N 3.46Å; P487-L497 HydrophobicContact CB-CD2 4.14Å
488	N	84.3	Confident	93.9	Very high	144 Å²	144	49.4 Å²	49.4	77%	0.77	26%	0.262	S	S	*	.	S	Bend	trans	-93	13	-161.5	-68	-23.9	0	0	0	114.3	D486	D486-N488 PolarHBondContact OD1-N 3.14Å
489	R	83.7	Confident	94.2	Very high	128 Å²	128	54.1 Å²	54.1	48%	0.483	29%	0.294	S	S	.	.			trans	-120	108.1	-173.3	-70.3	-173.7	-166.4	-121.5	-1.1	112.3	D486 P487 N491 R492	D486-R489 VanDerWaalsContact OD2-CD 3.31Å; D486-R489 WeakPolarHBondContact OD2-CD 3.43Å; D486-R489 IonicContact OD2-CZ 2.71Å; D486-R489 IonicContact OD2-NE 2.75Å; D486-R489 PolarHBondContact OD2-NE 3.13Å; D486-R489 IonicContact OD2-NH2 3.82Å; P487-R489 PolarHBondContact O-N 3.46Å; R489-N491 PolarHBondContact O-N 3.33Å; R489-R492 HydrophobicContact CB-CB 3.92Å; R489-R492 HydrophobicContact CB-CG 4.5Å; R489-R492 PolarHBondContact O-N 2.98Å
490	H	85.5	Confident	94.2	Very high	142 Å²	142	55.4 Å²	55.4	66%	0.657	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-12.5	173.3	54.1	-102.7	0	0	0	115	F472	F472-H490 WeakPolarHBondContact CZ-O 3.23Å
491	N	90.7	Very high	94.2	Very high	41 Å²	41	61.2 Å²	61.2	22%	0.219	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	10.9	174.7	70.2	-5.7	0	0	0	114.3	T480 R489	T480-N491 PolarHBondContact N-O 2.92Å; R489-N491 PolarHBondContact O-N 3.33Å
492	R	95.4	Very high	94	Very high	46 Å²	46	67 Å²	67	17%	0.174	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	111.6	174.3	-74.5	-174.2	50.3	-124.9	-3.8	112.1	T480 D482 D486 R489 C494	T480-R492 CarbonylContact O-C 3.57Å; T480-R492 VanDerWaalsContact O-CA 3.25Å; T480-R492 WeakPolarHBondContact O-CA 3.41Å; D482-R492 IonicContact OD1-NH2 3.36Å; D482-R492 PolarHBondContact OD1-NH2 3.21Å; D482-R492 IonicContact OD2-CZ 3.14Å; D482-R492 IonicContact OD2-NE 3.48Å; D482-R492 PolarHBondContact OD2-NE 3.18Å; D482-R492 IonicContact OD2-NH2 2.76Å; D482-R492 PolarHBondContact OD2-NH2 3.1Å; D486-R492 IonicContact OD2-NH1 3.76Å; D486-R492 PolarHBondContact OD2-NH1 3.14Å; R489-R492 HydrophobicContact CB-CB 3.92Å; R489-R492 HydrophobicContact CB-CG 4.5Å; R489-R492 PolarHBondContact O-N 2.98Å; R492-C494 PolarHBondContact NH2-SG 3.32Å; R492-C494 PolarHBondContact O-N 2.79Å
493	F	96.6	Very high	94	Very high	13 Å²	13	69.4 Å²	69.4	6%	0.057	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	95.4	171.5	-173.1	-159.3	0	0	0	109.7	L459 F472 L479 T480 V481 D482 L495 L498	L459-F493 HydrophobicContact CB-CD1 4.17Å; L459-F493 HydrophobicContact CB-CE1 4.13Å; L459-F493 HydrophobicContact CD2-CD1 4.16Å; F472-F493 HydrophobicContact CB-CB 4.43Å; F472-F493 HydrophobicContact CB-CD1 3.84Å; F472-F493 HydrophobicContact CB-CD2 3.86Å; F472-F493 HydrophobicContact CB-CE1 3.95Å; F472-F493 HydrophobicContact CB-CE2 3.97Å; F472-F493 HydrophobicContact CB-CG 3.8Å; F472-F493 HydrophobicContact CB-CZ 4.02Å; F472-F493 HydrophobicContact CD1-CB 4.1Å; F472-F493 HydrophobicContact CD1-CG 4.38Å; F472-F493 HydrophobicContact CD2-CB 3.69Å; F472-F493 AromaticContact CD2-CD2 3.54Å; F472-F493 HydrophobicContact CD2-CD2 3.54Å; F472-F493 HydrophobicContact CD2-CE2 4.3Å; F472-F493 AromaticContact CD2-CG 3.71Å; F472-F493 HydrophobicContact CD2-CG 3.71Å; F472-F493 HydrophobicContact CE1-CB 4.3Å; F472-F493 HydrophobicContact CE2-CB 3.89Å; F472-F493 HydrophobicContact CE2-CD2 4.35Å; F472-F493 HydrophobicContact CE2-CG 4.39Å; F472-F493 HydrophobicContact CG-CB 3.8Å; F472-F493 HydrophobicContact CG-CD1 4.14Å; F472-F493 AromaticContact CG-CD2 3.89Å; F472-F493 HydrophobicContact CG-CD2 3.89Å; F472-F493 HydrophobicContact CG-CE2 4.48Å; F472-F493 AromaticContact CG-CG 3.7Å; F472-F493 HydrophobicContact CG-CG 3.7Å; F472-F493 HydrophobicContact CZ-CB 4.19Å; L479-F493 HydrophobicContact CD1-CB 4.47Å; T480-F493 PolarHBondContact O-N 3.05Å; V481-F493 WeakPolarHBondContact CA-O 3.41Å; V481-F493 HydrophobicContact CB-CB 4.48Å; V481-F493 HydrophobicContact CG1-CB 4.23Å; V481-F493 HydrophobicContact CG1-CD1 3.92Å; V481-F493 HydrophobicContact CG1-CG 4.34Å; V481-F493 HydrophobicContact CG2-CB 4.2Å; V481-F493 HydrophobicContact CG2-CD1 4.39Å; D482-F493 PolarHBondContact N-O 3.26Å; F493-L495 HydrophobicContact CD1-CD2 3.86Å; F493-L495 HydrophobicContact CD2-CD2 4.2Å; F493-L495 HydrophobicContact CE1-CD2 3.65Å; F493-L495 HydrophobicContact CE2-CD2 4Å; F493-L495 HydrophobicContact CG-CD2 4.14Å; F493-L495 HydrophobicContact CZ-CD2 3.72Å; F493-L495 PolarHBondContact O-N 2.88Å; F493-L498 HydrophobicContact CE2-CD1 4.02Å; F493-L498 HydrophobicContact CZ-CD1 4.18Å
494	C	97.1	Very high	93.9	Very high	5 Å²	5	70.2 Å²	70.2	3%	0.034	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	94.2	-176.2	-73.5	0	0	0	0	111.5	D482 F484 D486 R492 G496 L497	D482-C494 PolarHBondContact OD1-SG 2.84Å; F484-C494 WeakPolarHBondContact O-CB 3.35Å; D486-C494 PolarHBondContact N-SG 3.33Å; D486-C494 VanDerWaalsContact N-SG 3.42Å; D486-C494 PolarHBondContact O-SG 2.9Å; R492-C494 PolarHBondContact NH2-SG 3.32Å; R492-C494 PolarHBondContact O-N 2.79Å; C494-G496 PolarHBondContact O-N 3Å; C494-L497 HydrophobicContact CB-CD2 3.74Å; C494-L497 WeakPolarHBondContact O-CD2 3.48Å; C494-L497 WeakPolarHBondContact O-CG 3.45Å
495	L	97.7	Very high	93.9	Very high	0 Å²	0	71 Å²	71	0%	0	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-66.1	-22.6	-178.4	-55.9	-178.3	0	0	0	113.2	Y461 V481 D482 F493 L497 L498 R511 I514 F600	Y461-L495 HydrophobicContact CD1-CD2 4.18Å; Y461-L495 HydrophobicContact CD2-CD1 3.78Å; Y461-L495 HydrophobicContact CD2-CD2 3.82Å; Y461-L495 HydrophobicContact CD2-CG 4.34Å; Y461-L495 HydrophobicContact CE2-CD1 3.76Å; Y461-L495 HydrophobicContact CE2-CD2 4.42Å; Y461-L495 HydrophobicContact CG-CD1 4.47Å; Y461-L495 HydrophobicContact CG-CD2 3.68Å; V481-L495 HydrophobicContact CG1-CD1 3.71Å; V481-L495 HydrophobicContact CG1-CD2 3.97Å; V481-L495 HydrophobicContact CG1-CG 3.76Å; D482-L495 WeakPolarHBondContact O-CB 3.27Å; D482-L495 PolarHBondContact O-N 3.5Å; F493-L495 HydrophobicContact CD1-CD2 3.86Å; F493-L495 HydrophobicContact CD2-CD2 4.2Å; F493-L495 HydrophobicContact CE1-CD2 3.65Å; F493-L495 HydrophobicContact CE2-CD2 4Å; F493-L495 HydrophobicContact CG-CD2 4.14Å; F493-L495 HydrophobicContact CZ-CD2 3.72Å; F493-L495 PolarHBondContact O-N 2.88Å; L495-L497 VanDerWaalsContact C-N 3.33Å; L495-L497 PolarHBondContact O-N 3.25Å; L495-L498 HydrophobicContact CD2-CD1 3.98Å; L495-L498 WeakPolarHBondContact O-CB 3.36Å; L495-L498 PolarHBondContact O-N 2.82Å; L495-R511 PolarHBondContact O-NH1 3.37Å; L495-R511 VanDerWaalsContact O-NH1 3.09Å; L495-R511 PolarHBondContact O-NH2 3.19Å; L495-I514 HydrophobicContact CD1-CD1 4.14Å; L495-F600 HydrophobicContact CD1-CD2 4.45Å; L495-F600 HydrophobicContact CD1-CE2 3.72Å; L495-F600 HydrophobicContact CD1-CZ 4.04Å
496	G	97	Very high	93.9	Very high	25 Å²	25	72 Å²	72	26%	0.258	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-63.6	-32.8	-175	0	0	0	0	0	114.1	G483 F484 C494 R511	G483-G496 WeakPolarHBondContact O-CA 3.48Å; F484-G496 WeakPolarHBondContact O-CA 3.36Å; F484-G496 PolarHBondContact O-N 2.86Å; C494-G496 PolarHBondContact O-N 3Å; G496-R511 VanDerWaalsContact C-NH2 3.34Å; G496-R511 PolarHBondContact O-NH2 2.84Å
497	L	95.1	Very high	94.2	Very high	82 Å²	82	70.7 Å²	70.7	43%	0.429	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-78.4	-17.9	178.7	70	97.3	0	0	0	113.8	T485 P487 C494 L495 S499	T485-L497 HydrophobicContact CG2-CB 4.39Å; P487-L497 HydrophobicContact CB-CD2 4.14Å; C494-L497 HydrophobicContact CB-CD2 3.74Å; C494-L497 WeakPolarHBondContact O-CD2 3.48Å; C494-L497 WeakPolarHBondContact O-CG 3.45Å; L495-L497 VanDerWaalsContact C-N 3.33Å; L495-L497 PolarHBondContact O-N 3.25Å; L497-S499 PolarHBondContact O-N 3.46Å
498	L	96.7	Very high	94.6	Very high	23 Å²	23	70 Å²	70	12%	0.12	37%	0.369	C	S	.	.			trans	-68.9	126.2	-177	-55.3	177.7	0	0	0	110.9	Y461 V468 F493 L495 R503 R511	Y461-L498 HydrophobicContact CD1-CD1 3.57Å; Y461-L498 HydrophobicContact CE1-CD1 4.28Å; Y461-L498 HydrophobicContact CG-CD1 4.21Å; V468-L498 HydrophobicContact CG1-CB 4.01Å; F493-L498 HydrophobicContact CE2-CD1 4.02Å; F493-L498 HydrophobicContact CZ-CD1 4.18Å; L495-L498 HydrophobicContact CD2-CD1 3.98Å; L495-L498 WeakPolarHBondContact O-CB 3.36Å; L495-L498 PolarHBondContact O-N 2.82Å; L498-R503 PolarHBondContact O-NH1 3.38Å; L498-R503 PolarHBondContact O-NH2 2.88Å; L498-R511 PolarHBondContact O-NH2 2.72Å
499	S	96.2	Very high	95.2	Very high	107 Å²	107	65.8 Å²	65.8	75%	0.748	35%	0.346	S	S	*	.			trans	-88.3	147.3	176.9	55.1	0	0	0	0	111.6	V468 L497	V468-S499 WeakPolarHBondContact CG1-O 3.42Å; L497-S499 PolarHBondContact O-N 3.46Å
500	N	96.6	Very high	95.9	Very high	27 Å²	27	59.9 Å²	59.9	14%	0.144	32%	0.324	C	S	.	.			trans	-148.8	120.6	169.5	174.8	14.2	0	0	0	107.7	E463 V468 N502 R503	E463-N500 WeakPolarHBondContact OE2-CB 3.36Å; E463-N500 PolarHBondContact OE2-ND2 2.98Å; V468-N500 HydrophobicContact CG1-CB 4.09Å; V468-N500 HydrophobicContact CG2-CB 3.96Å; N500-N502 VanDerWaalsContact C-N 3.29Å; N500-N502 PolarHBondContact OD1-N 2.65Å; N500-R503 HydrophobicContact CB-CB 4.19Å; N500-R503 VanDerWaalsContact O-CB 3.24Å; N500-R503 WeakPolarHBondContact O-CB 3.31Å; N500-R503 PolarHBondContact O-N 2.95Å
501	V	96.4	Very high	96.5	Very high	144 Å²	144	54.4 Å²	54.4	87%	0.873	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-24.2	-179.9	-62.7	0	0	0	0	112.7	R503	V501-R503 VanDerWaalsContact C-N 3.26Å; V501-R503 PolarHBondContact O-N 2.92Å
502	N	95	Very high	96.8	Very high	122 Å²	122	60.6 Å²	60.6	65%	0.652	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	15.5	179.6	-62	-36.5	0	0	0	112.6	N500 G504	N500-N502 VanDerWaalsContact C-N 3.29Å; N500-N502 PolarHBondContact OD1-N 2.65Å; N502-G504 PolarHBondContact O-N 2.91Å; N502-G504 VanDerWaalsContact O-N 3.16Å
503	R	97	Very high	97	Very high	54 Å²	54	63.3 Å²	63.3	20%	0.204	33%	0.333	C	S	.	.			trans	-76.9	102.1	-173.1	-174.6	177	-70	148.4	-2.1	111.7	E463 L498 N500 V501 I507 E508 R511	E463-R503 IonicContact OE1-CZ 3.24Å; E463-R503 VanDerWaalsContact OE1-CZ 3.28Å; E463-R503 IonicContact OE1-NE 2.7Å; E463-R503 PolarHBondContact OE1-NE 2.76Å; E463-R503 VanDerWaalsContact OE1-NE 3.09Å; E463-R503 IonicContact OE1-NH2 3.42Å; E463-R503 PolarHBondContact OE1-NH2 2.91Å; E463-R503 IonicContact OE2-CZ 2.73Å; E463-R503 IonicContact OE2-NE 3.57Å; E463-R503 PolarHBondContact OE2-NE 2.86Å; E463-R503 IonicContact OE2-NH2 2.66Å; E463-R503 PolarHBondContact OE2-NH2 3.16Å; L498-R503 PolarHBondContact O-NH1 3.38Å; L498-R503 PolarHBondContact O-NH2 2.88Å; N500-R503 HydrophobicContact CB-CB 4.19Å; N500-R503 VanDerWaalsContact O-CB 3.24Å; N500-R503 WeakPolarHBondContact O-CB 3.31Å; N500-R503 PolarHBondContact O-N 2.95Å; V501-R503 VanDerWaalsContact C-N 3.26Å; V501-R503 PolarHBondContact O-N 2.92Å; R503-I507 HydrophobicContact CG-CB 3.93Å; R503-I507 HydrophobicContact CG-CG2 3.81Å; R503-E508 HydrophobicContact CG-CG 3.87Å; R503-R511 VanDerWaalsContact CZ-NE 3.35Å; R503-R511 VanDerWaalsContact NH2-CZ 3.26Å
504	G	96.3	Very high	97	Very high	38 Å²	38	62.8 Å²	62.8	39%	0.392	33%	0.33	S	S	.	.			trans	-73.2	157.7	171.9	0	0	0	0	0	114.1	N502 Q506 I507 E508	N502-G504 PolarHBondContact O-N 2.91Å; N502-G504 VanDerWaalsContact O-N 3.16Å; G504-Q506 VanDerWaalsContact C-N 3.28Å; G504-Q506 PolarHBondContact O-N 2.85Å; G504-Q506 VanDerWaalsContact O-N 3.09Å; G504-I507 WeakPolarHBondContact O-CA 3.09Å; G504-I507 WeakPolarHBondContact O-CB 3.28Å; G504-I507 PolarHBondContact O-N 2.79Å; G504-E508 PolarHBondContact O-N 2.9Å
505	H	97.2	Very high	97	Very high	118 Å²	118	63.4 Å²	63.4	55%	0.546	34%	0.338	S	S	.	.	H	α-helix	trans	-48.7	-39.6	-176.3	-176.4	64	0	0	0	115.4	I507 E508 L509	H505-I507 VanDerWaalsContact C-N 3.27Å; H505-I507 PolarHBondContact O-N 3.34Å; H505-E508 IonicContact ND1-OE2 4Å; H505-E508 PolarHBondContact O-N 3.42Å; H505-L509 WeakPolarHBondContact O-CG 3.48Å; H505-L509 PolarHBondContact O-N 2.98Å
506	Q	96	Very high	97	Very high	119 Å²	119	68.4 Å²	68.4	56%	0.556	36%	0.36	S	S	*	.	H	α-helix	trans	-64.3	-30	178.1	-70.3	-69.4	-20.2	0	0	113.2	G504 T510	G504-Q506 VanDerWaalsContact C-N 3.28Å; G504-Q506 PolarHBondContact O-N 2.85Å; G504-Q506 VanDerWaalsContact O-N 3.09Å; Q506-T510 WeakPolarHBondContact O-CB 3.4Å; Q506-T510 PolarHBondContact O-N 3.48Å; Q506-T510 PolarHBondContact O-OG1 3.3Å
507	I	98.1	Very high	97.1	Very high	14 Å²	14	67.2 Å²	67.2	7%	0.072	35%	0.347	C	S	.	.	H	α-helix	trans	-74.7	-45.6	176	-60.2	160.6	0	0	0	109.2	E463 M464 R503 G504 H505 L509 T510 R511 P617	E463-I507 HydrophobicContact CB-CD1 4.31Å; E463-I507 HydrophobicContact CB-CG2 4.11Å; E463-I507 VanDerWaalsContact CD-CG2 3.5Å; E463-I507 HydrophobicContact CG-CG2 3.8Å; E463-I507 WeakPolarHBondContact OE2-CG2 3.38Å; M464-I507 HydrophobicContact CG-CD1 4Å; M464-I507 HydrophobicContact CG-CG1 4.4Å; R503-I507 HydrophobicContact CG-CB 3.93Å; R503-I507 HydrophobicContact CG-CG2 3.81Å; G504-I507 WeakPolarHBondContact O-CA 3.09Å; G504-I507 WeakPolarHBondContact O-CB 3.28Å; G504-I507 PolarHBondContact O-N 2.79Å; H505-I507 VanDerWaalsContact C-N 3.27Å; H505-I507 PolarHBondContact O-N 3.34Å; I507-L509 PolarHBondContact O-N 2.98Å; I507-T510 PolarHBondContact O-N 2.96Å; I507-R511 HydrophobicContact CG2-CG 4.31Å; I507-R511 WeakPolarHBondContact O-CG 3.34Å; I507-R511 PolarHBondContact O-N 2.78Å; I507-P617 HydrophobicContact CB-CB 4.36Å; I507-P617 HydrophobicContact CG1-CB 3.89Å; I507-P617 WeakPolarHBondContact CG2-O 3.23Å
508	E	97.5	Very high	97.2	Very high	79 Å²	79	63.3 Å²	63.3	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-56.3	-47.5	175.1	-57.2	-170.7	140.7	0	0	112.6	R503 G504 H505 T510 R511 R512	R503-E508 HydrophobicContact CG-CG 3.87Å; G504-E508 PolarHBondContact O-N 2.9Å; H505-E508 IonicContact ND1-OE2 4Å; H505-E508 PolarHBondContact O-N 3.42Å; E508-T510 VanDerWaalsContact C-N 3.27Å; E508-T510 PolarHBondContact O-N 3.2Å; E508-R511 PolarHBondContact O-N 3.38Å; E508-R512 WeakPolarHBondContact O-CG 3.48Å; E508-R512 PolarHBondContact O-N 3.25Å
509	L	97.3	Very high	97.3	Very high	55 Å²	55	64 Å²	64	29%	0.288	33%	0.329	S	S	.	.	H	α-helix	trans	-59.6	-39.4	175.6	-71.1	-178.9	0	0	0	111.5	H505 I507 H513	H505-L509 WeakPolarHBondContact O-CG 3.48Å; H505-L509 PolarHBondContact O-N 2.98Å; I507-L509 PolarHBondContact O-N 2.98Å; L509-H513 PolarHBondContact O-ND1 2.91Å
510	T	98.1	Very high	97.3	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-43.5	178.7	-59.1	0	0	0	0	111.5	Q506 I507 E508 R512 H513 I514 V601 P617 C618	Q506-T510 WeakPolarHBondContact O-CB 3.4Å; Q506-T510 PolarHBondContact O-N 3.48Å; Q506-T510 PolarHBondContact O-OG1 3.3Å; I507-T510 PolarHBondContact O-N 2.96Å; E508-T510 VanDerWaalsContact C-N 3.27Å; E508-T510 PolarHBondContact O-N 3.2Å; T510-R512 VanDerWaalsContact C-N 3.31Å; T510-R512 PolarHBondContact O-N 3.22Å; T510-H513 PolarHBondContact O-N 3.34Å; T510-I514 PolarHBondContact O-N 3.33Å; T510-V601 HydrophobicContact CG2-CB 4.02Å; T510-V601 HydrophobicContact CG2-CG2 3.98Å; T510-P617 HydrophobicContact CG2-CB 4.08Å; T510-P617 HydrophobicContact CG2-CG 4.39Å; T510-C618 HydrophobicContact CG2-CB 4.03Å
511	R	98.3	Very high	97.2	Very high	27 Å²	27	58 Å²	58	10%	0.102	29%	0.288	C	S	.	.	H	α-helix	trans	-56.2	-42.1	176.9	-71.9	169.8	62.7	78.9	4.3	112.4	Y461 E463 L495 G496 L498 R503 I507 E508 H513 I514 C618	Y461-R511 PolarHBondContact OH-NH1 3.02Å; E463-R511 WeakPolarHBondContact OE1-CD 3.45Å; E463-R511 IonicContact OE1-CZ 3.65Å; E463-R511 IonicContact OE1-NE 3.77Å; E463-R511 IonicContact OE1-NH1 3.39Å; E463-R511 PolarHBondContact OE1-NH1 2.89Å; L495-R511 PolarHBondContact O-NH1 3.37Å; L495-R511 VanDerWaalsContact O-NH1 3.09Å; L495-R511 PolarHBondContact O-NH2 3.19Å; G496-R511 VanDerWaalsContact C-NH2 3.34Å; G496-R511 PolarHBondContact O-NH2 2.84Å; L498-R511 PolarHBondContact O-NH2 2.72Å; R503-R511 VanDerWaalsContact CZ-NE 3.35Å; R503-R511 VanDerWaalsContact NH2-CZ 3.26Å; I507-R511 HydrophobicContact CG2-CG 4.31Å; I507-R511 WeakPolarHBondContact O-CG 3.34Å; I507-R511 PolarHBondContact O-N 2.78Å; E508-R511 PolarHBondContact O-N 3.38Å; R511-H513 PolarHBondContact O-N 3.2Å; R511-I514 WeakPolarHBondContact O-CB 3.47Å; R511-I514 PolarHBondContact O-N 3.21Å; R511-I514 VanDerWaalsContact O-N 3.12Å; R511-C618 VanDerWaalsContact CG-SG 3.55Å
512	R	97.8	Very high	97.1	Very high	172 Å²	172	51.9 Å²	51.9	65%	0.649	25%	0.249	S	C	*	.	H	α-helix	trans	-58.2	-29	176	-66.9	172.4	-162.3	-177.3	6.1	113.3	E508 T510	E508-R512 WeakPolarHBondContact O-CG 3.48Å; E508-R512 PolarHBondContact O-N 3.25Å; T510-R512 VanDerWaalsContact C-N 3.31Å; T510-R512 PolarHBondContact O-N 3.22Å
513	H	98.1	Very high	96.9	Very high	103 Å²	103	46.6 Å²	46.6	48%	0.477	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-3.6	-179.1	-68.2	86.3	0	0	0	113.8	L509 T510 R511 S533 V601	L509-H513 PolarHBondContact O-ND1 2.91Å; T510-H513 PolarHBondContact O-N 3.34Å; R511-H513 PolarHBondContact O-N 3.2Å; H513-S533 PolarHBondContact O-OG 3.14Å; H513-V601 HydrophobicContact CB-CG1 4.26Å; H513-V601 HydrophobicContact CB-CG2 3.74Å
514	I	98.4	Very high	96.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-48.2	171.9	-60.7	176.9	0	0	0	108.8	L495 T510 R511 K516 G517 S533 F600 C618	L495-I514 HydrophobicContact CD1-CD1 4.14Å; T510-I514 PolarHBondContact O-N 3.33Å; R511-I514 WeakPolarHBondContact O-CB 3.47Å; R511-I514 PolarHBondContact O-N 3.21Å; R511-I514 VanDerWaalsContact O-N 3.12Å; I514-K516 PolarHBondContact O-N 2.98Å; I514-G517 WeakPolarHBondContact O-CA 3.13Å; I514-G517 PolarHBondContact O-N 2.83Å; I514-S533 WeakPolarHBondContact O-CB 3.18Å; I514-S533 PolarHBondContact O-OG 3.1Å; I514-F600 HydrophobicContact CD1-CB 4.46Å; I514-F600 HydrophobicContact CD1-CD2 4.3Å; I514-F600 HydrophobicContact CD1-CG 4.3Å; I514-F600 HydrophobicContact CG1-CB 3.95Å; I514-F600 HydrophobicContact CG1-CD1 4.4Å; I514-F600 HydrophobicContact CG1-CG 4.07Å; I514-F600 HydrophobicContact CG2-CD1 3.94Å; I514-F600 HydrophobicContact CG2-CE1 4.09Å; I514-F600 HydrophobicContact CG2-CG 4.39Å; I514-C618 HydrophobicContact CD1-CB 4.25Å
515	G	97.3	Very high	96.1	Very high	19 Å²	19	42.9 Å²	42.9	20%	0.196	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-121.8	178.1	0	0	0	0	0	111.1	D482 G483 F484 G517	D482-G515 WeakPolarHBondContact CB-O 3.37Å; G483-G515 PolarHBondContact N-O 3.29Å; F484-G515 WeakPolarHBondContact CE2-O 3.34Å; G515-G517 PolarHBondContact O-N 2.92Å
516	K	97.2	Very high	96	Very high	104 Å²	104	39.1 Å²	39.1	45%	0.452	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-8.8	175.2	-52.7	176.3	-163	112.1	0	114.1	F484 I514 L532	F484-K516 HydrophobicContact CE2-CG 4.21Å; F484-K516 HydrophobicContact CZ-CG 4.37Å; I514-K516 PolarHBondContact O-N 2.98Å; K516-L532 HydrophobicContact CB-CB 3.7Å
517	G	98.1	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.156	C	C	.	.			trans	60.4	-128.4	172.7	0	0	0	0	0	115	V481 I514 G515 L532 S533	V481-G517 CarbonylContact O-C 3.51Å; V481-G517 VanDerWaalsContact O-CA 3.29Å; V481-G517 WeakPolarHBondContact O-CA 3.34Å; I514-G517 WeakPolarHBondContact O-CA 3.13Å; I514-G517 PolarHBondContact O-N 2.83Å; G515-G517 PolarHBondContact O-N 2.92Å; G517-L532 CarbonylContact O-C 3.58Å; G517-L532 PolarHBondContact O-N 2.92Å; G517-S533 PolarHBondContact O-N 2.98Å
518	V	98.5	Very high	95.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.4	-177.8	61.7	0	0	0	0	110.4	T480 V481 L520 A529 E530 I537 M598 F600 I620	T480-V518 CarbonylContact C-O 3.53Å; T480-V518 WeakPolarHBondContact CA-O 3.43Å; V481-V518 HydrophobicContact CB-CG1 3.86Å; V481-V518 HydrophobicContact CG2-CG1 4.27Å; V481-V518 PolarHBondContact N-O 2.85Å; V481-V518 PolarHBondContact O-N 2.87Å; V518-L520 HydrophobicContact CG2-CD2 4.04Å; V518-A529 HydrophobicContact CG2-CB 4.12Å; V518-E530 WeakPolarHBondContact CA-O 3.29Å; V518-E530 WeakPolarHBondContact CG2-O 3.27Å; V518-I537 HydrophobicContact CB-CD1 3.91Å; V518-I537 HydrophobicContact CG2-CD1 3.52Å; V518-M598 HydrophobicContact CB-SD 3.89Å; V518-M598 HydrophobicContact CG1-SD 3.71Å; V518-M598 HydrophobicContact CG2-CE 3.99Å; V518-M598 HydrophobicContact CG2-SD 3.74Å; V518-F600 HydrophobicContact CB-CE1 4.35Å; V518-F600 HydrophobicContact CG1-CE1 3.92Å; V518-F600 HydrophobicContact CG1-CZ 4.05Å; V518-I620 HydrophobicContact CG1-CD1 4.45Å
519	K	97.1	Very high	95.9	Very high	38 Å²	38	30.6 Å²	30.6	17%	0.165	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125	169.2	-171.1	166.8	175.4	-149.3	0	109.7	C478 L479 Y521 E530 L532	C478-K519 WeakPolarHBondContact SG-CE 3.39Å; L479-K519 CarbonylContact O-C 3.47Å; L479-K519 WeakPolarHBondContact O-CA 3.48Å; K519-Y521 HydrophobicContact CD-CE1 4.02Å; K519-Y521 HydrophobicContact CD-CE2 4.39Å; K519-Y521 VanDerWaalsContact CD-OH 3.29Å; K519-Y521 WeakPolarHBondContact CD-OH 3.5Å; K519-Y521 VanDerWaalsContact CE-CZ 3.48Å; K519-Y521 VanDerWaalsContact CE-OH 3.22Å; K519-Y521 WeakPolarHBondContact CE-OH 3.4Å; K519-Y521 HydrophobicContact CG-CE1 4.08Å; K519-Y521 HydrophobicContact CG-CE2 4.09Å; K519-Y521 PolarHBondContact NZ-OH 3.06Å; K519-E530 HydrophobicContact CB-CB 4.42Å; K519-E530 PolarHBondContact N-O 3.34Å; K519-E530 PolarHBondContact O-N 2.85Å; K519-L532 HydrophobicContact CB-CD1 3.7Å; K519-L532 HydrophobicContact CB-CG 3.94Å; K519-L532 HydrophobicContact CD-CD1 3.96Å; K519-L532 HydrophobicContact CG-CD1 4.46Å
520	L	97.3	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.6	177.4	-58.1	176.4	0	0	0	109	W456 L459 L479 V518 F528 A529 I566 M598 I622	W456-L520 HydrophobicContact CH2-CB 4.15Å; L459-L520 HydrophobicContact CD2-CD1 4.37Å; L479-L520 HydrophobicContact CB-CB 4.34Å; L479-L520 HydrophobicContact CD2-CD1 4.32Å; L479-L520 PolarHBondContact N-O 3.47Å; L479-L520 PolarHBondContact O-N 3.35Å; V518-L520 HydrophobicContact CG2-CD2 4.04Å; L520-F528 WeakPolarHBondContact CA-O 3.4Å; L520-A529 HydrophobicContact CD2-CB 3.78Å; L520-I566 HydrophobicContact CD2-CD1 4.17Å; L520-M598 HydrophobicContact CD2-CE 4.04Å; L520-I622 HydrophobicContact CD1-CD1 3.78Å; L520-I622 HydrophobicContact CD2-CD1 4.45Å
521	Y	94	Very high	95.9	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.027	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	134	175.4	-55.8	-81.8	0	0	0	109.3	T97 P477 C478 K519 I523 V527 F528 E530	T97-Y521 VanDerWaalsContact CB-CE1 3.46Å; T97-Y521 HydrophobicContact CG2-CD1 3.57Å; T97-Y521 HydrophobicContact CG2-CE1 3.55Å; T97-Y521 HydrophobicContact CG2-CG 4.34Å; P477-Y521 WeakPolarHBondContact O-CA 3.29Å; C478-Y521 HydrophobicContact CB-CD1 4.41Å; K519-Y521 HydrophobicContact CD-CE1 4.02Å; K519-Y521 HydrophobicContact CD-CE2 4.39Å; K519-Y521 VanDerWaalsContact CD-OH 3.29Å; K519-Y521 WeakPolarHBondContact CD-OH 3.5Å; K519-Y521 VanDerWaalsContact CE-CZ 3.48Å; K519-Y521 VanDerWaalsContact CE-OH 3.22Å; K519-Y521 WeakPolarHBondContact CE-OH 3.4Å; K519-Y521 HydrophobicContact CG-CE1 4.08Å; K519-Y521 HydrophobicContact CG-CE2 4.09Å; K519-Y521 PolarHBondContact NZ-OH 3.06Å; Y521-I523 HydrophobicContact CD1-CD1 4.43Å; Y521-I523 HydrophobicContact CG-CD1 4.32Å; Y521-V527 CarbonylContact O-C 3.56Å; Y521-V527 VanDerWaalsContact O-CA 3.27Å; Y521-V527 WeakPolarHBondContact O-CA 3.36Å; Y521-F528 HydrophobicContact CD2-CB 4.26Å; Y521-F528 PolarHBondContact N-O 2.89Å; Y521-F528 PolarHBondContact O-N 3.04Å; Y521-E530 HydrophobicContact CE2-CB 3.93Å; Y521-E530 VanDerWaalsContact CE2-OE2 3.25Å; Y521-E530 WeakPolarHBondContact CE2-OE2 3.38Å; Y521-E530 VanDerWaalsContact CZ-OE2 3.31Å; Y521-E530 PolarHBondContact OH-OE2 3.03Å
522	Y	93.8	Very high	95.9	Very high	17 Å²	17	30.6 Å²	30.6	7%	0.067	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.1	167.7	178.6	-109	0	0	0	108.7	Y450 E452 W456 P477 E526 V527 N569	Y450-Y522 PolarHBondContact OH-OH 3.39Å; Y450-Y522 VanDerWaalsContact OH-OH 3.1Å; E452-Y522 VanDerWaalsContact CD-CE1 3.5Å; E452-Y522 WeakPolarHBondContact OE1-CE1 3.43Å; E452-Y522 WeakPolarHBondContact OE2-CE1 3.42Å; E452-Y522 PolarHBondContact OE2-OH 3.42Å; W456-Y522 HydrophobicContact CB-CD1 4.2Å; W456-Y522 HydrophobicContact CB-CE1 4.48Å; W456-Y522 HydrophobicContact CD2-CD1 4.46Å; W456-Y522 HydrophobicContact CD2-CG 4.03Å; W456-Y522 HydrophobicContact CE3-CD2 4.25Å; W456-Y522 HydrophobicContact CE3-CG 4.06Å; W456-Y522 HydrophobicContact CG-CD1 4.18Å; W456-Y522 HydrophobicContact CG-CG 4.23Å; P477-Y522 WeakPolarHBondContact CB-O 3.25Å; P477-Y522 PolarHBondContact O-N 3.09Å; Y522-E526 WeakPolarHBondContact CA-O 3.5Å; Y522-V527 HydrophobicContact CD2-CG2 3.84Å; Y522-N569 PolarHBondContact OH-ND2 2.73Å
523	I	90.9	Very high	95.9	Very high	10 Å²	10	22.5 Å²	22.5	5%	0.051	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	125.2	-168.9	-57	167.9	0	0	0	108.7	T97 H99 E100 I128 Y521 G525 E526	T97-I523 HydrophobicContact CG2-CD1 3.56Å; H99-I523 HydrophobicContact CB-CD1 3.67Å; E100-I523 HydrophobicContact CG-CD1 3.72Å; E100-I523 HydrophobicContact CG-CG1 3.89Å; E100-I523 HydrophobicContact CG-CG2 4.17Å; I128-I523 HydrophobicContact CB-CG2 3.98Å; I128-I523 HydrophobicContact CG2-CG2 4.17Å; Y521-I523 HydrophobicContact CD1-CD1 4.43Å; Y521-I523 HydrophobicContact CG-CD1 4.32Å; I523-G525 VanDerWaalsContact C-N 3.26Å; I523-G525 PolarHBondContact O-N 3.26Å; I523-E526 PolarHBondContact N-O 2.86Å; I523-E526 WeakPolarHBondContact O-CB 3.36Å; I523-E526 PolarHBondContact O-N 2.85Å
524	G	87.1	Confident	95.9	Very high	12 Å²	12	23.8 Å²	23.8	12%	0.124	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	27.1	173	0	0	0	0	0	113.9	N130 P131 E526	N130-G524 WeakPolarHBondContact OD1-CA 3.4Å; N130-G524 PolarHBondContact OD1-N 3.32Å; P131-G524 WeakPolarHBondContact CD-O 3.07Å; G524-E526 VanDerWaalsContact C-N 3.26Å; G524-E526 PolarHBondContact O-N 3.38Å
525	G	90.4	Very high	95.9	Very high	2 Å²	2	25 Å²	25	2%	0.021	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	18	-169.7	0	0	0	0	0	114.5	N130 I523 N569	N130-G525 PolarHBondContact OD1-N 2.73Å; I523-G525 VanDerWaalsContact C-N 3.26Å; I523-G525 PolarHBondContact O-N 3.26Å; G525-N569 WeakPolarHBondContact CA-ND2 3.3Å; G525-N569 WeakPolarHBondContact O-CB 3.47Å; G525-N569 PolarHBondContact O-N 2.92Å; G525-N569 PolarHBondContact O-OD1 2.88Å
526	E	94.4	Very high	95.9	Very high	40 Å²	40	24.8 Å²	24.8	19%	0.187	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.8	176.8	-49.7	-161.2	122.2	0	0	110.8	Y522 I523 G524 F528 K565 F567 N568	Y522-E526 WeakPolarHBondContact CA-O 3.5Å; I523-E526 PolarHBondContact N-O 2.86Å; I523-E526 WeakPolarHBondContact O-CB 3.36Å; I523-E526 PolarHBondContact O-N 2.85Å; G524-E526 VanDerWaalsContact C-N 3.26Å; G524-E526 PolarHBondContact O-N 3.38Å; E526-F528 HydrophobicContact CB-CD2 4.34Å; E526-F528 HydrophobicContact CB-CE2 3.66Å; E526-F528 HydrophobicContact CB-CZ 4.23Å; E526-F528 WeakPolarHBondContact OE2-CZ 3.4Å; E526-K565 VanDerWaalsContact CD-CE 3.43Å; E526-K565 WeakPolarHBondContact OE1-CD 3.46Å; E526-K565 VanDerWaalsContact OE1-CE 3.28Å; E526-K565 WeakPolarHBondContact OE1-CE 3.46Å; E526-K565 IonicContact OE1-NZ 3.76Å; E526-K565 PolarHBondContact OE1-NZ 3.27Å; E526-K565 WeakPolarHBondContact OE2-CE 3.42Å; E526-K565 IonicContact OE2-NZ 2.96Å; E526-K565 PolarHBondContact OE2-NZ 3.26Å; E526-F567 WeakPolarHBondContact CA-O 3.46Å; E526-N568 PolarHBondContact OE1-ND2 2.83Å
527	V	96.3	Very high	96	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.1	173	-171.4	0	0	0	0	109.6	W456 Y521 Y522 I566 F567 L624	W456-V527 HydrophobicContact CH2-CG1 4.22Å; W456-V527 HydrophobicContact CZ3-CG1 3.98Å; W456-V527 HydrophobicContact CZ3-CG2 4Å; Y521-V527 CarbonylContact O-C 3.56Å; Y521-V527 VanDerWaalsContact O-CA 3.27Å; Y521-V527 WeakPolarHBondContact O-CA 3.36Å; Y522-V527 HydrophobicContact CD2-CG2 3.84Å; V527-I566 HydrophobicContact CB-CG1 4.01Å; V527-I566 HydrophobicContact CG1-CD1 3.76Å; V527-I566 HydrophobicContact CG1-CG1 3.73Å; V527-I566 WeakPolarHBondContact O-CG1 3.48Å; V527-I566 PolarHBondContact O-N 3.36Å; V527-F567 HydrophobicContact CB-CB 3.79Å; V527-F567 HydrophobicContact CG2-CB 3.83Å; V527-F567 PolarHBondContact N-O 2.81Å; V527-F567 PolarHBondContact O-N 3.42Å; V527-L624 HydrophobicContact CG2-CD1 4.2Å; V527-L624 HydrophobicContact CG2-CD2 4.03Å
528	F	96.5	Very high	96	Very high	31 Å²	31	20.4 Å²	20.4	14%	0.136	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.5	174	-62.3	-97.3	0	0	0	111.2	L520 Y521 E526 L564 K565	L520-F528 WeakPolarHBondContact CA-O 3.4Å; Y521-F528 HydrophobicContact CD2-CB 4.26Å; Y521-F528 PolarHBondContact N-O 2.89Å; Y521-F528 PolarHBondContact O-N 3.04Å; E526-F528 HydrophobicContact CB-CD2 4.34Å; E526-F528 HydrophobicContact CB-CE2 3.66Å; E526-F528 HydrophobicContact CB-CZ 4.23Å; E526-F528 WeakPolarHBondContact OE2-CZ 3.4Å; F528-L564 CarbonylContact C-O 3.49Å; F528-L564 WeakPolarHBondContact CA-O 3.38Å; F528-K565 HydrophobicContact CD1-CB 3.88Å; F528-K565 HydrophobicContact CD1-CG 4.35Å; F528-K565 HydrophobicContact CE1-CB 3.71Å; F528-K565 HydrophobicContact CE1-CG 4.02Å; F528-K565 HydrophobicContact CZ-CB 4.44Å; F528-K565 HydrophobicContact CZ-CD 4.5Å; F528-K565 HydrophobicContact CZ-CG 4.27Å
529	A	97.8	Very high	96	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.7	169.5	0	0	0	0	0	110.6	V518 L520 I558 N563 L564 I566 M598	V518-A529 HydrophobicContact CG2-CB 4.12Å; L520-A529 HydrophobicContact CD2-CB 3.78Å; A529-I558 HydrophobicContact CB-CD1 4.02Å; A529-N563 CarbonylContact O-C 3.57Å; A529-N563 WeakPolarHBondContact O-CA 3.34Å; A529-L564 PolarHBondContact N-O 2.9Å; A529-L564 PolarHBondContact O-N 2.94Å; A529-I566 HydrophobicContact CB-CD1 4Å; A529-I566 HydrophobicContact CB-CG1 4.37Å; A529-I566 HydrophobicContact CB-CG2 3.95Å; A529-M598 HydrophobicContact CB-CE 3.93Å
530	E	97.1	Very high	96.1	Very high	32 Å²	32	20 Å²	20	15%	0.15	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.8	175.9	-178.8	-174.3	-171.6	0	0	110	V518 K519 Y521 L532 N563	V518-E530 WeakPolarHBondContact CA-O 3.29Å; V518-E530 WeakPolarHBondContact CG2-O 3.27Å; K519-E530 HydrophobicContact CB-CB 4.42Å; K519-E530 PolarHBondContact N-O 3.34Å; K519-E530 PolarHBondContact O-N 2.85Å; Y521-E530 HydrophobicContact CE2-CB 3.93Å; Y521-E530 VanDerWaalsContact CE2-OE2 3.25Å; Y521-E530 WeakPolarHBondContact CE2-OE2 3.38Å; Y521-E530 VanDerWaalsContact CZ-OE2 3.31Å; Y521-E530 PolarHBondContact OH-OE2 3.03Å; E530-L532 HydrophobicContact CG-CD2 3.94Å; E530-L532 PolarHBondContact O-N 3.49Å; E530-N563 HydrophobicContact CB-CB 4.06Å; E530-N563 HydrophobicContact CG-CB 4.33Å
531	C	98	Very high	96.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	102.6	179.6	-171.2	0	0	0	0	110.6	S535 I537 I558 P559 G561 C562	C531-S535 PolarHBondContact SG-O 3.48Å; C531-S535 VanDerWaalsContact SG-O 3.34Å; C531-I537 HydrophobicContact CB-CD1 3.83Å; C531-I537 HydrophobicContact CB-CG1 4Å; C531-I558 HydrophobicContact CB-CB 4.49Å; C531-I558 HydrophobicContact CB-CG2 3.87Å; C531-P559 VanDerWaalsContact CB-O 3.27Å; C531-P559 WeakPolarHBondContact CB-O 3.36Å; C531-G561 PolarHBondContact O-N 2.86Å; C531-C562 PolarHBondContact N-O 3.28Å
532	L	97	Very high	96.3	Very high	52 Å²	52	20.6 Å²	20.6	27%	0.272	11%	0.112	S	C	.	.			trans	-89.7	-18.6	176.7	-60.9	-170.5	0	0	0	113.2	T480 K516 G517 K519 E530	T480-L532 HydrophobicContact CG2-CD1 4.37Å; K516-L532 HydrophobicContact CB-CB 3.7Å; G517-L532 CarbonylContact O-C 3.58Å; G517-L532 PolarHBondContact O-N 2.92Å; K519-L532 HydrophobicContact CB-CD1 3.7Å; K519-L532 HydrophobicContact CB-CG 3.94Å; K519-L532 HydrophobicContact CD-CD1 3.96Å; K519-L532 HydrophobicContact CG-CD1 4.46Å; E530-L532 HydrophobicContact CG-CD2 3.94Å; E530-L532 PolarHBondContact O-N 3.49Å
533	S	98	Very high	96.5	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.021	11%	0.109	C	C	.	.	S	Bend	trans	-64.2	148.1	173.8	-175	0	0	0	0	111.4	H513 I514 G517 S535 P560	H513-S533 PolarHBondContact O-OG 3.14Å; I514-S533 WeakPolarHBondContact O-CB 3.18Å; I514-S533 PolarHBondContact O-OG 3.1Å; G517-S533 PolarHBondContact O-N 2.98Å; S533-S535 VanDerWaalsContact CB-O 3.3Å; S533-S535 WeakPolarHBondContact CB-O 3.47Å; S533-S535 PolarHBondContact O-N 3.41Å; S533-S535 PolarHBondContact OG-N 3.46Å; S533-S535 VanDerWaalsContact OG-N 3.08Å; S533-S535 PolarHBondContact OG-O 2.58Å; S533-P560 VanDerWaalsContact O-CB 3.3Å; S533-P560 WeakPolarHBondContact O-CB 3.47Å
534	D	98	Very high	96.8	Very high	129 Å²	129	19.4 Å²	19.4	69%	0.69	11%	0.107	S	C	*	.	S	Bend	trans	-74.1	-5.9	169.7	-53	-59.3	0	0	0	111.6	P560	D534-P560 VanDerWaalsContact O-CG 3.31Å; D534-P560 WeakPolarHBondContact O-CG 3.46Å
535	S	98.2	Very high	97.2	Very high	26 Å²	26	18.9 Å²	18.9	18%	0.182	10%	0.102	C	C	.	.	S	Bend	trans	-109.8	146.2	169.8	-69.7	0	0	0	0	111.6	C531 S533	C531-S535 PolarHBondContact SG-O 3.48Å; C531-S535 VanDerWaalsContact SG-O 3.34Å; S533-S535 VanDerWaalsContact CB-O 3.3Å; S533-S535 WeakPolarHBondContact CB-O 3.47Å; S533-S535 PolarHBondContact O-N 3.41Å; S533-S535 PolarHBondContact OG-N 3.46Å; S533-S535 VanDerWaalsContact OG-N 3.08Å; S533-S535 PolarHBondContact OG-O 2.58Å
536	A	98.4	Very high	97.5	Very high	15 Å²	15	24 Å²	24	12%	0.124	12%	0.121	C	C	.	.			trans	-64.1	150.7	178.4	0	0	0	0	0	113	F538 K557 I558 V601	A536-F538 HydrophobicContact CB-CE2 4.17Å; A536-F538 HydrophobicContact CB-CZ 4.15Å; A536-K557 HydrophobicContact CB-CG 4.14Å; A536-I558 WeakPolarHBondContact CA-O 3.43Å; A536-V601 WeakPolarHBondContact O-CA 3.35Å; A536-V601 PolarHBondContact O-N 2.77Å
537	I	98.7	Very high	97.5	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	157.7	167.8	62.3	-175.6	0	0	0	109.7	V518 C531 I558 M598 S599 F600	V518-I537 HydrophobicContact CB-CD1 3.91Å; V518-I537 HydrophobicContact CG2-CD1 3.52Å; C531-I537 HydrophobicContact CB-CD1 3.83Å; C531-I537 HydrophobicContact CB-CG1 4Å; I537-I558 HydrophobicContact CD1-CB 4.24Å; I537-I558 HydrophobicContact CD1-CD1 4.09Å; I537-I558 HydrophobicContact CG1-CB 3.73Å; I537-I558 HydrophobicContact CG1-CD1 4.23Å; I537-I558 HydrophobicContact CG1-CG1 4.33Å; I537-I558 HydrophobicContact CG1-CG2 4.46Å; I537-I558 PolarHBondContact N-O 3.16Å; I537-I558 VanDerWaalsContact N-O 3.12Å; I537-I558 PolarHBondContact O-N 2.91Å; I537-M598 HydrophobicContact CB-CG 4.3Å; I537-M598 HydrophobicContact CB-SD 4.25Å; I537-M598 HydrophobicContact CD1-SD 3.8Å; I537-M598 HydrophobicContact CG1-SD 4.41Å; I537-S599 WeakPolarHBondContact CA-O 3.3Å; I537-F600 HydrophobicContact CG2-CD1 3.84Å; I537-F600 HydrophobicContact CG2-CE1 4.3Å
538	F	98.6	Very high	97.4	Very high	12 Å²	12	28.4 Å²	28.4	5%	0.053	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.6	-174.3	-59	-95.7	0	0	0	108.2	A536 V555 C556 K557 M598 S599 G603 W604 Y608	A536-F538 HydrophobicContact CB-CE2 4.17Å; A536-F538 HydrophobicContact CB-CZ 4.15Å; F538-V555 HydrophobicContact CB-CG1 3.85Å; F538-C556 CarbonylContact C-O 3.53Å; F538-C556 WeakPolarHBondContact CA-O 3.26Å; F538-K557 HydrophobicContact CD1-CB 3.89Å; F538-K557 HydrophobicContact CD1-CG 4.02Å; F538-K557 HydrophobicContact CE1-CB 3.89Å; F538-K557 HydrophobicContact CE1-CD 3.86Å; F538-K557 HydrophobicContact CE1-CG 3.6Å; F538-K557 HydrophobicContact CZ-CD 4.35Å; F538-K557 HydrophobicContact CZ-CG 4.17Å; F538-M598 CarbonylContact O-C 3.54Å; F538-M598 WeakPolarHBondContact O-CA 3.4Å; F538-S599 PolarHBondContact N-O 3.19Å; F538-S599 PolarHBondContact O-N 3.38Å; F538-G603 VanDerWaalsContact CD1-CA 3.42Å; F538-G603 VanDerWaalsContact CG-CA 3.45Å; F538-W604 HydrophobicContact CB-CE3 4.14Å; F538-W604 HydrophobicContact CB-CZ3 3.73Å; F538-W604 WeakPolarHBondContact O-CH2 3.47Å; F538-W604 VanDerWaalsContact O-CZ3 3.27Å; F538-W604 WeakPolarHBondContact O-CZ3 3.14Å; F538-Y608 HydrophobicContact CD1-CE1 4.42Å; F538-Y608 AromaticContact CE1-CE1 3.8Å; F538-Y608 HydrophobicContact CE1-CE1 3.8Å; F538-Y608 AromaticContact CE1-CZ 3.69Å; F538-Y608 WeakPolarHBondContact CE1-OH 3.47Å
539	V	98.5	Very high	97.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.1	-169	-172.1	0	0	0	0	110.8	V555 C556 I558 I566 I596 R597 M598	V539-V555 CarbonylContact O-C 3.15Å; V539-V555 WeakPolarHBondContact O-CA 3.33Å; V539-C556 PolarHBondContact N-O 2.9Å; V539-C556 PolarHBondContact O-N 2.84Å; V539-I558 HydrophobicContact CG2-CD1 3.57Å; V539-I558 HydrophobicContact CG2-CG1 4.2Å; V539-I566 HydrophobicContact CG1-CG2 3.97Å; V539-I596 HydrophobicContact CG1-CG2 3.73Å; V539-R597 WeakPolarHBondContact CA-O 3.44Å; V539-M598 HydrophobicContact CG2-CB 4.48Å; V539-M598 HydrophobicContact CG2-CE 3.82Å; V539-M598 HydrophobicContact CG2-CG 4.01Å; V539-M598 HydrophobicContact CG2-SD 4.36Å
540	Q	98.3	Very high	97.2	Very high	28 Å²	28	39.2 Å²	39.2	13%	0.131	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	105	165.1	-178.8	179.9	71.7	0	0	107.5	A553 V555 R597 W604	Q540-A553 PolarHBondContact NE2-O 3Å; Q540-V555 HydrophobicContact CB-CG2 4.35Å; Q540-R597 HydrophobicContact CB-CB 4.5Å; Q540-R597 PolarHBondContact N-O 3.12Å; Q540-R597 PolarHBondContact O-N 2.84Å; Q540-W604 HydrophobicContact CB-CH2 4.13Å; Q540-W604 HydrophobicContact CB-CZ2 3.58Å
541	S	98.3	Very high	97.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	21%	0.207	C	C	.	.			trans	-120.9	113.9	168.9	166.4	0	0	0	0	108.3	N543 C544 N545 I566	S541-N543 VanDerWaalsContact C-N 3.26Å; S541-N543 PolarHBondContact O-N 2.97Å; S541-C544 WeakPolarHBondContact O-CB 3.48Å; S541-C544 PolarHBondContact O-N 3.24Å; S541-C544 PolarHBondContact OG-N 2.98Å; S541-C544 VanDerWaalsContact OG-N 3.17Å; S541-N545 VanDerWaalsContact O-CG 3.26Å; S541-N545 PolarHBondContact O-N 2.94Å; S541-N545 PolarHBondContact O-ND2 3.22Å; S541-I566 VanDerWaalsContact CB-O 3.26Å; S541-I566 WeakPolarHBondContact CB-O 3.46Å; S541-I566 PolarHBondContact OG-O 2.89Å
542	P	97.6	Very high	97.1	Very high	18 Å²	18	48.1 Å²	48.1	12%	0.117	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-33.4	177	-28.6	39.5	0	0	0	113.2	N545 Y546 M593	P542-N545 PolarHBondContact O-N 3.4Å; P542-Y546 WeakPolarHBondContact O-CB 3.18Å; P542-Y546 PolarHBondContact O-N 2.75Å; P542-M593 HydrophobicContact CB-CE 4.45Å; P542-M593 HydrophobicContact CB-SD 3.4Å; P542-M593 WeakPolarHBondContact CB-SD 3.34Å
543	N	97.6	Very high	97	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-44.3	173.3	-179.7	-85.7	0	0	0	112.1	S541 Y546 M547 F567 N568 M593	S541-N543 VanDerWaalsContact C-N 3.26Å; S541-N543 PolarHBondContact O-N 2.97Å; N543-Y546 PolarHBondContact O-N 2.78Å; N543-M547 WeakPolarHBondContact O-CG 3.35Å; N543-M547 PolarHBondContact O-N 3.34Å; N543-M547 WeakPolarHBondContact OD1-CE 3.45Å; N543-F567 HydrophobicContact CB-CD2 3.43Å; N543-F567 VanDerWaalsContact CB-CD2 3.43Å; N543-F567 HydrophobicContact CB-CE2 3.6Å; N543-F567 HydrophobicContact CB-CG 4.36Å; N543-F567 WeakPolarHBondContact OD1-CA 3.39Å; N543-N568 PolarHBondContact ND2-O 3.48Å; N543-N568 PolarHBondContact OD1-N 3.34Å; N543-M593 HydrophobicContact CB-CE 4.25Å
544	C	97	Very high	97	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-45.7	172.7	-177.5	0	0	0	0	111.8	S541 Y546 M547 Y548 K565	S541-C544 WeakPolarHBondContact O-CB 3.48Å; S541-C544 PolarHBondContact O-N 3.24Å; S541-C544 PolarHBondContact OG-N 2.98Å; S541-C544 VanDerWaalsContact OG-N 3.17Å; C544-Y546 VanDerWaalsContact C-N 3.32Å; C544-Y546 PolarHBondContact O-N 3.17Å; C544-M547 HydrophobicContact CB-CE 4.49Å; C544-M547 PolarHBondContact O-N 3.04Å; C544-Y548 VanDerWaalsContact O-CD2 3.29Å; C544-Y548 WeakPolarHBondContact O-CD2 3.35Å; C544-Y548 PolarHBondContact O-N 3.27Å; C544-Y548 VanDerWaalsContact O-N 3.15Å; C544-K565 PolarHBondContact SG-O 3.34Å
545	N	97.1	Very high	97	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-39.8	179.3	-68.9	-23.9	0	0	0	111.3	S541 P542 K549 W550 P552 T554	S541-N545 VanDerWaalsContact O-CG 3.26Å; S541-N545 PolarHBondContact O-N 2.94Å; S541-N545 PolarHBondContact O-ND2 3.22Å; P542-N545 PolarHBondContact O-N 3.4Å; N545-K549 PolarHBondContact O-N 3.22Å; N545-W550 HydrophobicContact CB-CB 4.33Å; N545-W550 PolarHBondContact O-N 3.45Å; N545-P552 PolarHBondContact ND2-O 3.21Å; N545-T554 PolarHBondContact ND2-N 2.74Å; N545-T554 PolarHBondContact ND2-O 2.95Å
546	Y	95.8	Very high	97	Very high	109 Å²	109	43.8 Å²	43.8	43%	0.427	22%	0.217	S	C	.	.	H	α-helix	trans	-61.8	-50.2	173.5	-178.8	-92.3	0	0	0	112.4	P542 N543 C544 Y548 K549 L575 M593	P542-Y546 WeakPolarHBondContact O-CB 3.18Å; P542-Y546 PolarHBondContact O-N 2.75Å; N543-Y546 PolarHBondContact O-N 2.78Å; C544-Y546 VanDerWaalsContact C-N 3.32Å; C544-Y546 PolarHBondContact O-N 3.17Å; Y546-Y548 VanDerWaalsContact C-N 3.27Å; Y546-Y548 PolarHBondContact O-N 3.07Å; Y546-K549 PolarHBondContact O-N 3.39Å; Y546-L575 HydrophobicContact CD1-CD1 3.82Å; Y546-L575 HydrophobicContact CD1-CG 4.41Å; Y546-L575 HydrophobicContact CD2-CD1 4.48Å; Y546-L575 HydrophobicContact CD2-CD2 4.35Å; Y546-L575 HydrophobicContact CE1-CD1 3.93Å; Y546-L575 HydrophobicContact CE1-CD2 4.03Å; Y546-L575 HydrophobicContact CE1-CG 4Å; Y546-L575 HydrophobicContact CE2-CD2 3.76Å; Y546-L575 HydrophobicContact CG-CD1 4.12Å; Y546-M593 HydrophobicContact CG-CE 4.45Å
547	M	94.1	Very high	96.9	Very high	50 Å²	50	48 Å²	48	25%	0.246	23%	0.233	C	C	.	.	H	α-helix	trans	-54.7	-41	178.7	-74.7	-171.1	-70.8	0	0	112.8	N543 C544 K565 N568 E571	N543-M547 WeakPolarHBondContact O-CG 3.35Å; N543-M547 PolarHBondContact O-N 3.34Å; N543-M547 WeakPolarHBondContact OD1-CE 3.45Å; C544-M547 HydrophobicContact CB-CE 4.49Å; C544-M547 PolarHBondContact O-N 3.04Å; M547-K565 HydrophobicContact CE-CD 4.4Å; M547-K565 HydrophobicContact CE-CG 4.48Å; M547-N568 HydrophobicContact CE-CB 4.35Å; M547-N568 HydrophobicContact SD-CB 3.81Å; M547-E571 HydrophobicContact CG-CB 4.4Å; M547-E571 HydrophobicContact CG-CG 3.99Å; M547-E571 HydrophobicContact SD-CG 4.01Å
548	Y	94.1	Very high	96.9	Very high	86 Å²	86	47.9 Å²	47.9	34%	0.337	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	5.3	178.6	-66.1	-68.4	0	0	0	114.3	P284 C544 Y546 W550 L564	P284-Y548 HydrophobicContact CG-CE1 3.89Å; C544-Y548 VanDerWaalsContact O-CD2 3.29Å; C544-Y548 WeakPolarHBondContact O-CD2 3.35Å; C544-Y548 PolarHBondContact O-N 3.27Å; C544-Y548 VanDerWaalsContact O-N 3.15Å; Y546-Y548 VanDerWaalsContact C-N 3.27Å; Y546-Y548 PolarHBondContact O-N 3.07Å; Y548-W550 VanDerWaalsContact C-N 3.26Å; Y548-W550 HydrophobicContact CD1-CH2 4.18Å; Y548-W550 HydrophobicContact CD1-CZ2 4.43Å; Y548-W550 HydrophobicContact CD2-CE3 4.28Å; Y548-W550 AromaticContact CD2-CH2 3.62Å; Y548-W550 HydrophobicContact CD2-CH2 3.62Å; Y548-W550 HydrophobicContact CD2-CZ2 4.49Å; Y548-W550 AromaticContact CD2-CZ3 3.52Å; Y548-W550 HydrophobicContact CD2-CZ3 3.52Å; Y548-W550 HydrophobicContact CE2-CH2 4.36Å; Y548-W550 HydrophobicContact CE2-CZ3 4.42Å; Y548-W550 HydrophobicContact CG-CE3 4.33Å; Y548-W550 AromaticContact CG-CH2 3.51Å; Y548-W550 HydrophobicContact CG-CH2 3.51Å; Y548-W550 AromaticContact CG-CZ2 3.95Å; Y548-W550 HydrophobicContact CG-CZ2 3.95Å; Y548-W550 AromaticContact CG-CZ3 3.76Å; Y548-W550 HydrophobicContact CG-CZ3 3.76Å; Y548-W550 PolarHBondContact O-N 2.76Å; Y548-L564 HydrophobicContact CE2-CD1 4.32Å
549	K	95.7	Very high	96.9	Very high	196 Å²	196	49.5 Å²	49.5	85%	0.852	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	35	-179.3	-52.9	-176.7	-179.4	-175.5	0	113.9	N545 Y546	N545-K549 PolarHBondContact O-N 3.22Å; Y546-K549 PolarHBondContact O-N 3.39Å
550	W	95.4	Very high	96.9	Very high	62 Å²	62	52.2 Å²	52.2	24%	0.235	26%	0.262	C	S	.	.			trans	-91.1	162	170.2	-60.1	-33.9	0	0	0	111.4	P283 N545 Y548 T554 C556	P283-W550 HydrophobicContact CB-CH2 3.54Å; P283-W550 HydrophobicContact CB-CZ2 4.18Å; P283-W550 HydrophobicContact CB-CZ3 4.3Å; N545-W550 HydrophobicContact CB-CB 4.33Å; N545-W550 PolarHBondContact O-N 3.45Å; Y548-W550 VanDerWaalsContact C-N 3.26Å; Y548-W550 HydrophobicContact CD1-CH2 4.18Å; Y548-W550 HydrophobicContact CD1-CZ2 4.43Å; Y548-W550 HydrophobicContact CD2-CE3 4.28Å; Y548-W550 AromaticContact CD2-CH2 3.62Å; Y548-W550 HydrophobicContact CD2-CH2 3.62Å; Y548-W550 HydrophobicContact CD2-CZ2 4.49Å; Y548-W550 AromaticContact CD2-CZ3 3.52Å; Y548-W550 HydrophobicContact CD2-CZ3 3.52Å; Y548-W550 HydrophobicContact CE2-CH2 4.36Å; Y548-W550 HydrophobicContact CE2-CZ3 4.42Å; Y548-W550 HydrophobicContact CG-CE3 4.33Å; Y548-W550 AromaticContact CG-CH2 3.51Å; Y548-W550 HydrophobicContact CG-CH2 3.51Å; Y548-W550 AromaticContact CG-CZ2 3.95Å; Y548-W550 HydrophobicContact CG-CZ2 3.95Å; Y548-W550 AromaticContact CG-CZ3 3.76Å; Y548-W550 HydrophobicContact CG-CZ3 3.76Å; Y548-W550 PolarHBondContact O-N 2.76Å; W550-T554 HydrophobicContact CB-CG2 4.2Å; W550-T554 HydrophobicContact CD2-CG2 4.49Å; W550-T554 HydrophobicContact CE3-CG2 4.32Å; W550-T554 HydrophobicContact CG-CG2 4.46Å; W550-C556 WeakPolarHBondContact CZ3-SG 3.31Å
551	H	96.4	Very high	96.6	Very high	136 Å²	136	52.4 Å²	52.4	63%	0.63	27%	0.271	S	S	*	.			trans	-55.5	137.3	172.7	-175.7	-98.2	0	0	0	110.9	A553 T554	H551-A553 PolarHBondContact ND1-N 3.09Å; H551-A553 PolarHBondContact O-N 3.25Å; H551-T554 VanDerWaalsContact O-CB 3.23Å; H551-T554 WeakPolarHBondContact O-CB 3.36Å; H551-T554 PolarHBondContact O-N 3.39Å; H551-T554 PolarHBondContact O-OG1 3.27Å
552	P	95.4	Very high	96.4	Very high	83 Å²	83	52.7 Å²	52.7	54%	0.539	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.9	-173.9	-29.2	36.2	0	0	0	114.8	N545	N545-P552 PolarHBondContact ND2-O 3.21Å
553	A	96.2	Very high	96.3	Very high	49 Å²	49	52.7 Å²	52.7	41%	0.405	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	1.6	177.4	0	0	0	0	0	115.2	Q540 H551	Q540-A553 PolarHBondContact NE2-O 3Å; H551-A553 PolarHBondContact ND1-N 3.09Å; H551-A553 PolarHBondContact O-N 3.25Å
554	T	97.3	Very high	96.2	Very high	47 Å²	47	52.9 Å²	52.9	29%	0.288	27%	0.273	S	S	.	.			trans	-57.4	143.3	179.5	-70.4	0	0	0	0	112.2	N545 W550 H551	N545-T554 PolarHBondContact ND2-N 2.74Å; N545-T554 PolarHBondContact ND2-O 2.95Å; W550-T554 HydrophobicContact CB-CG2 4.2Å; W550-T554 HydrophobicContact CD2-CG2 4.49Å; W550-T554 HydrophobicContact CE3-CG2 4.32Å; W550-T554 HydrophobicContact CG-CG2 4.46Å; H551-T554 VanDerWaalsContact O-CB 3.23Å; H551-T554 WeakPolarHBondContact O-CB 3.36Å; H551-T554 PolarHBondContact O-N 3.39Å; H551-T554 PolarHBondContact O-OG1 3.27Å
555	V	98.2	Very high	96.1	Very high	17 Å²	17	55.6 Å²	55.6	10%	0.103	29%	0.285	C	S	.	.			trans	-115.8	106	-178.8	-176.1	0	0	0	0	109.7	F538 V539 Q540 W604	F538-V555 HydrophobicContact CB-CG1 3.85Å; V539-V555 CarbonylContact O-C 3.15Å; V539-V555 WeakPolarHBondContact O-CA 3.33Å; Q540-V555 HydrophobicContact CB-CG2 4.35Å; V555-W604 WeakPolarHBondContact CB-O 3.31Å; V555-W604 HydrophobicContact CG1-CD2 4.06Å; V555-W604 HydrophobicContact CG1-CE3 3.88Å; V555-W604 HydrophobicContact CG1-CH2 3.93Å; V555-W604 HydrophobicContact CG1-CZ2 4.11Å; V555-W604 HydrophobicContact CG1-CZ3 3.79Å; V555-W604 HydrophobicContact CG2-CD2 4.04Å; V555-W604 HydrophobicContact CG2-CG 4.35Å; V555-W604 HydrophobicContact CG2-CZ2 3.91Å; V555-W604 WeakPolarHBondContact CG2-O 3.26Å
556	C	97.2	Very high	96.1	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.1	180	-57.4	0	0	0	0	110.9	F538 V539 W550 L564	F538-C556 CarbonylContact C-O 3.53Å; F538-C556 WeakPolarHBondContact CA-O 3.26Å; V539-C556 PolarHBondContact N-O 2.9Å; V539-C556 PolarHBondContact O-N 2.84Å; W550-C556 WeakPolarHBondContact CZ3-SG 3.31Å; C556-L564 HydrophobicContact CB-CD2 3.83Å
557	K	98	Very high	96.2	Very high	102 Å²	102	50.4 Å²	50.4	44%	0.443	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	125.6	171.2	179.2	-176.1	178.5	-172.3	0	110.1	C285 A536 F538	C285-K557 PolarHBondContact SG-O 2.94Å; C285-K557 VanDerWaalsContact SG-O 3.38Å; A536-K557 HydrophobicContact CB-CG 4.14Å; F538-K557 HydrophobicContact CD1-CB 3.89Å; F538-K557 HydrophobicContact CD1-CG 4.02Å; F538-K557 HydrophobicContact CE1-CB 3.89Å; F538-K557 HydrophobicContact CE1-CD 3.86Å; F538-K557 HydrophobicContact CE1-CG 3.6Å; F538-K557 HydrophobicContact CZ-CD 4.35Å; F538-K557 HydrophobicContact CZ-CG 4.17Å
558	I	98.1	Very high	96.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	109.5	170.5	-50.1	174.6	0	0	0	108.1	A529 C531 A536 I537 V539 C562 L564	A529-I558 HydrophobicContact CB-CD1 4.02Å; C531-I558 HydrophobicContact CB-CB 4.49Å; C531-I558 HydrophobicContact CB-CG2 3.87Å; A536-I558 WeakPolarHBondContact CA-O 3.43Å; I537-I558 HydrophobicContact CD1-CB 4.24Å; I537-I558 HydrophobicContact CD1-CD1 4.09Å; I537-I558 HydrophobicContact CG1-CB 3.73Å; I537-I558 HydrophobicContact CG1-CD1 4.23Å; I537-I558 HydrophobicContact CG1-CG1 4.33Å; I537-I558 HydrophobicContact CG1-CG2 4.46Å; I537-I558 PolarHBondContact N-O 3.16Å; I537-I558 VanDerWaalsContact N-O 3.12Å; I537-I558 PolarHBondContact O-N 2.91Å; V539-I558 HydrophobicContact CG2-CD1 3.57Å; V539-I558 HydrophobicContact CG2-CG1 4.2Å; I558-C562 HydrophobicContact CG2-CB 3.84Å; I558-C562 WeakPolarHBondContact CG2-O 3.45Å; I558-L564 HydrophobicContact CD1-CB 3.63Å; I558-L564 HydrophobicContact CD1-CD2 4.1Å; I558-L564 HydrophobicContact CG1-CB 4Å; I558-L564 HydrophobicContact CG1-CD2 4.11Å
559	P	98.3	Very high	96.2	Very high	45 Å²	45	45.1 Å²	45.1	29%	0.292	24%	0.243	S	C	.	.			trans	-66	161	176.6	-19.9	32.2	0	0	0	113.3	C531 G561 C562	C531-P559 VanDerWaalsContact CB-O 3.27Å; C531-P559 WeakPolarHBondContact CB-O 3.36Å; P559-G561 PolarHBondContact O-N 3.01Å; P559-C562 VanDerWaalsContact O-CB 3.3Å; P559-C562 WeakPolarHBondContact O-CB 3.24Å; P559-C562 PolarHBondContact O-N 3.34Å
560	P	97.7	Very high	96	Very high	60 Å²	60	38.8 Å²	38.8	39%	0.39	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	129.8	172.1	-30.2	38.2	0	0	0	113.2	S533 D534 C562	S533-P560 VanDerWaalsContact O-CB 3.3Å; S533-P560 WeakPolarHBondContact O-CB 3.47Å; D534-P560 VanDerWaalsContact O-CG 3.31Å; D534-P560 WeakPolarHBondContact O-CG 3.46Å; P560-C562 PolarHBondContact O-N 3.08Å
561	G	92.9	Very high	95.9	Very high	32 Å²	32	39.1 Å²	39.1	33%	0.33	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	1.2	-178.5	0	0	0	0	0	115.4	C531 P559	C531-G561 PolarHBondContact O-N 2.86Å; P559-G561 PolarHBondContact O-N 3.01Å
562	C	95	Very high	95.9	Very high	7 Å²	7	32.7 Å²	32.7	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	159.3	171.6	-60.5	0	0	0	0	111.4	C285 V286 C531 I558 P559 P560	C285-C562 HydrophobicContact CB-CB 4.39Å; V286-C562 WeakPolarHBondContact O-CA 3.49Å; C531-C562 PolarHBondContact N-O 3.28Å; I558-C562 HydrophobicContact CG2-CB 3.84Å; I558-C562 WeakPolarHBondContact CG2-O 3.45Å; P559-C562 VanDerWaalsContact O-CB 3.3Å; P559-C562 WeakPolarHBondContact O-CB 3.24Å; P559-C562 PolarHBondContact O-N 3.34Å; P560-C562 PolarHBondContact O-N 3.08Å
563	N	94.7	Very high	95.8	Very high	17 Å²	17	29 Å²	29	9%	0.091	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	158.8	170.6	65.5	93.2	0	0	0	111.5	A529 E530	A529-N563 CarbonylContact O-C 3.57Å; A529-N563 WeakPolarHBondContact O-CA 3.34Å; E530-N563 HydrophobicContact CB-CB 4.06Å; E530-N563 HydrophobicContact CG-CB 4.33Å
564	L	94.8	Very high	95.6	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	140.6	178.1	-178.5	62.2	0	0	0	109.8	F528 A529 Y548 C556 I558 I566	F528-L564 CarbonylContact C-O 3.49Å; F528-L564 WeakPolarHBondContact CA-O 3.38Å; A529-L564 PolarHBondContact N-O 2.9Å; A529-L564 PolarHBondContact O-N 2.94Å; Y548-L564 HydrophobicContact CE2-CD1 4.32Å; C556-L564 HydrophobicContact CB-CD2 3.83Å; I558-L564 HydrophobicContact CD1-CB 3.63Å; I558-L564 HydrophobicContact CD1-CD2 4.1Å; I558-L564 HydrophobicContact CG1-CB 4Å; I558-L564 HydrophobicContact CG1-CD2 4.11Å; L564-I566 HydrophobicContact CB-CG2 4.33Å; L564-I566 HydrophobicContact CD2-CG2 4.21Å; L564-I566 HydrophobicContact CG-CG2 4.15Å; L564-I566 PolarHBondContact O-N 2.82Å
565	K	95.6	Very high	95.4	Very high	58 Å²	58	28.5 Å²	28.5	25%	0.252	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	113.5	165.9	-173.5	-176.6	-60.3	-174.4	0	108.3	E526 F528 C544 M547	E526-K565 VanDerWaalsContact CD-CE 3.43Å; E526-K565 WeakPolarHBondContact OE1-CD 3.46Å; E526-K565 VanDerWaalsContact OE1-CE 3.28Å; E526-K565 WeakPolarHBondContact OE1-CE 3.46Å; E526-K565 IonicContact OE1-NZ 3.76Å; E526-K565 PolarHBondContact OE1-NZ 3.27Å; E526-K565 WeakPolarHBondContact OE2-CE 3.42Å; E526-K565 IonicContact OE2-NZ 2.96Å; E526-K565 PolarHBondContact OE2-NZ 3.26Å; F528-K565 HydrophobicContact CD1-CB 3.88Å; F528-K565 HydrophobicContact CD1-CG 4.35Å; F528-K565 HydrophobicContact CE1-CB 3.71Å; F528-K565 HydrophobicContact CE1-CG 4.02Å; F528-K565 HydrophobicContact CZ-CB 4.44Å; F528-K565 HydrophobicContact CZ-CD 4.5Å; F528-K565 HydrophobicContact CZ-CG 4.27Å; C544-K565 PolarHBondContact SG-O 3.34Å; M547-K565 HydrophobicContact CE-CD 4.4Å; M547-K565 HydrophobicContact CE-CG 4.48Å
566	I	97.5	Very high	95.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-14.9	-174.4	60.1	162.7	0	0	0	113	L520 V527 A529 V539 S541 L564 I596	L520-I566 HydrophobicContact CD2-CD1 4.17Å; V527-I566 HydrophobicContact CB-CG1 4.01Å; V527-I566 HydrophobicContact CG1-CD1 3.76Å; V527-I566 HydrophobicContact CG1-CG1 3.73Å; V527-I566 WeakPolarHBondContact O-CG1 3.48Å; V527-I566 PolarHBondContact O-N 3.36Å; A529-I566 HydrophobicContact CB-CD1 4Å; A529-I566 HydrophobicContact CB-CG1 4.37Å; A529-I566 HydrophobicContact CB-CG2 3.95Å; V539-I566 HydrophobicContact CG1-CG2 3.97Å; S541-I566 VanDerWaalsContact CB-O 3.26Å; S541-I566 WeakPolarHBondContact CB-O 3.46Å; S541-I566 PolarHBondContact OG-O 2.89Å; L564-I566 HydrophobicContact CB-CG2 4.33Å; L564-I566 HydrophobicContact CD2-CG2 4.21Å; L564-I566 HydrophobicContact CG-CG2 4.15Å; L564-I566 PolarHBondContact O-N 2.82Å; I566-I596 HydrophobicContact CB-CD1 4.32Å; I566-I596 HydrophobicContact CD1-CD1 3.95Å; I566-I596 HydrophobicContact CD1-CG2 4.27Å; I566-I596 HydrophobicContact CG1-CD1 4.19Å
567	F	97.4	Very high	95	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.2	171.9	-161.4	-95.9	0	0	0	111.7	E526 V527 N543 N569 F572 M593 I596 L624 P627	E526-F567 WeakPolarHBondContact CA-O 3.46Å; V527-F567 HydrophobicContact CB-CB 3.79Å; V527-F567 HydrophobicContact CG2-CB 3.83Å; V527-F567 PolarHBondContact N-O 2.81Å; V527-F567 PolarHBondContact O-N 3.42Å; N543-F567 HydrophobicContact CB-CD2 3.43Å; N543-F567 VanDerWaalsContact CB-CD2 3.43Å; N543-F567 HydrophobicContact CB-CE2 3.6Å; N543-F567 HydrophobicContact CB-CG 4.36Å; N543-F567 WeakPolarHBondContact OD1-CA 3.39Å; F567-N569 WeakPolarHBondContact CD1-OD1 3.43Å; F567-N569 VanDerWaalsContact CE1-OD1 3.24Å; F567-N569 WeakPolarHBondContact CE1-OD1 3.49Å; F567-F572 HydrophobicContact CE1-CB 3.99Å; F567-F572 HydrophobicContact CE1-CG 4.48Å; F567-F572 HydrophobicContact CE2-CB 4.49Å; F567-F572 HydrophobicContact CE2-CD2 4.46Å; F567-F572 HydrophobicContact CZ-CB 3.59Å; F567-F572 AromaticContact CZ-CD2 3.96Å; F567-F572 HydrophobicContact CZ-CD2 3.96Å; F567-F572 AromaticContact CZ-CG 3.76Å; F567-F572 HydrophobicContact CZ-CG 3.76Å; F567-M593 WeakPolarHBondContact CE2-O 3.41Å; F567-I596 HydrophobicContact CB-CD1 4.15Å; F567-I596 HydrophobicContact CD2-CD1 4.33Å; F567-L624 HydrophobicContact CB-CD1 3.78Å; F567-L624 HydrophobicContact CD1-CD1 3.65Å; F567-L624 HydrophobicContact CD2-CD1 3.38Å; F567-L624 HydrophobicContact CE1-CD1 4.02Å; F567-L624 HydrophobicContact CE2-CD1 3.77Å; F567-L624 HydrophobicContact CG-CD1 3.31Å; F567-L624 HydrophobicContact CZ-CD1 4.06Å; F567-P627 HydrophobicContact CE1-CB 4.35Å; F567-P627 HydrophobicContact CE1-CG 3.53Å; F567-P627 HydrophobicContact CZ-CB 3.93Å; F567-P627 HydrophobicContact CZ-CG 3.6Å
568	N	94.8	Very high	94.7	Very high	22 Å²	22	30.1 Å²	30.1	12%	0.118	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	126.9	166.6	174.5	-59.3	0	0	0	110	E526 N543 M547 Q570 E571 F572	E526-N568 PolarHBondContact OE1-ND2 2.83Å; N543-N568 PolarHBondContact ND2-O 3.48Å; N543-N568 PolarHBondContact OD1-N 3.34Å; M547-N568 HydrophobicContact CE-CB 4.35Å; M547-N568 HydrophobicContact SD-CB 3.81Å; N568-Q570 WeakPolarHBondContact OD1-CA 3.18Å; N568-Q570 VanDerWaalsContact OD1-CB 3.31Å; N568-Q570 WeakPolarHBondContact OD1-CB 3.24Å; N568-Q570 PolarHBondContact OD1-N 3.13Å; N568-E571 HydrophobicContact CB-CB 4.28Å; N568-E571 HydrophobicContact CB-CG 4.09Å; N568-E571 PolarHBondContact OD1-N 2.97Å; N568-F572 PolarHBondContact O-N 3.22Å
569	N	93.4	Very high	94.5	Very high	3 Å²	3	31 Å²	31	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-67.3	-38.2	-178.2	-77.4	4.3	0	0	0	113.8	L133 Y450 Y522 G525 F567 F572 A573 W630	L133-N569 HydrophobicContact CD1-CB 4.1Å; Y450-N569 PolarHBondContact OH-ND2 2.84Å; Y522-N569 PolarHBondContact OH-ND2 2.73Å; G525-N569 WeakPolarHBondContact CA-ND2 3.3Å; G525-N569 WeakPolarHBondContact O-CB 3.47Å; G525-N569 PolarHBondContact O-N 2.92Å; G525-N569 PolarHBondContact O-OD1 2.88Å; F567-N569 WeakPolarHBondContact CD1-OD1 3.43Å; F567-N569 VanDerWaalsContact CE1-OD1 3.24Å; F567-N569 WeakPolarHBondContact CE1-OD1 3.49Å; N569-F572 PolarHBondContact O-N 3.27Å; N569-A573 WeakPolarHBondContact O-CB 3.18Å; N569-A573 PolarHBondContact O-N 3.34Å; N569-W630 HydrophobicContact CB-CH2 3.92Å; N569-W630 HydrophobicContact CB-CZ3 4.19Å
570	Q	92.4	Very high	94.1	Very high	62 Å²	62	29.3 Å²	29.3	29%	0.29	16%	0.162	S	C	.	.	H	α-helix	trans	-64.3	-44.2	177.3	179.3	70.6	75.6	0	0	111	L133 N568 F572 A573 N574	L133-Q570 HydrophobicContact CD2-CB 4.1Å; L133-Q570 VanDerWaalsContact CD2-CD 3.46Å; L133-Q570 HydrophobicContact CD2-CG 4.39Å; N568-Q570 WeakPolarHBondContact OD1-CA 3.18Å; N568-Q570 VanDerWaalsContact OD1-CB 3.31Å; N568-Q570 WeakPolarHBondContact OD1-CB 3.24Å; N568-Q570 PolarHBondContact OD1-N 3.13Å; Q570-F572 VanDerWaalsContact C-N 3.32Å; Q570-F572 PolarHBondContact O-N 2.89Å; Q570-A573 PolarHBondContact O-N 2.91Å; Q570-N574 PolarHBondContact NE2-OD1 3.18Å; Q570-N574 WeakPolarHBondContact O-CB 3.44Å; Q570-N574 PolarHBondContact O-N 3.35Å; Q570-N574 PolarHBondContact O-ND2 3.28Å; Q570-N574 PolarHBondContact O-OD1 2.85Å
571	E	93.6	Very high	93.6	Very high	70 Å²	70	32.2 Å²	32.2	33%	0.327	18%	0.179	S	C	.	.	H	α-helix	trans	-63.1	-39.1	176.4	-66.1	-62.1	159.2	0	0	111.5	M547 N568 L575	M547-E571 HydrophobicContact CG-CB 4.4Å; M547-E571 HydrophobicContact CG-CG 3.99Å; M547-E571 HydrophobicContact SD-CG 4.01Å; N568-E571 HydrophobicContact CB-CB 4.28Å; N568-E571 HydrophobicContact CB-CG 4.09Å; N568-E571 PolarHBondContact OD1-N 2.97Å; E571-L575 WeakPolarHBondContact O-CB 3.3Å; E571-L575 WeakPolarHBondContact O-CG 3.34Å; E571-L575 PolarHBondContact O-N 2.91Å
572	F	95.2	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.6	-41.8	173.2	-179.3	-95.5	0	0	0	112.7	F567 N568 N569 Q570 N574 L575 L576 L590 M593 C594 P627 W630	F567-F572 HydrophobicContact CE1-CB 3.99Å; F567-F572 HydrophobicContact CE1-CG 4.48Å; F567-F572 HydrophobicContact CE2-CB 4.49Å; F567-F572 HydrophobicContact CE2-CD2 4.46Å; F567-F572 HydrophobicContact CZ-CB 3.59Å; F567-F572 AromaticContact CZ-CD2 3.96Å; F567-F572 HydrophobicContact CZ-CD2 3.96Å; F567-F572 AromaticContact CZ-CG 3.76Å; F567-F572 HydrophobicContact CZ-CG 3.76Å; N568-F572 PolarHBondContact O-N 3.22Å; N569-F572 PolarHBondContact O-N 3.27Å; Q570-F572 VanDerWaalsContact C-N 3.32Å; Q570-F572 PolarHBondContact O-N 2.89Å; F572-N574 PolarHBondContact O-N 3.19Å; F572-L575 WeakPolarHBondContact O-CB 3.21Å; F572-L575 PolarHBondContact O-N 3.26Å; F572-L576 HydrophobicContact CE1-CD2 4.01Å; F572-L576 WeakPolarHBondContact O-CB 3.27Å; F572-L576 PolarHBondContact O-N 3.17Å; F572-L590 HydrophobicContact CE2-CB 4.24Å; F572-M593 HydrophobicContact CD2-CB 4.03Å; F572-M593 HydrophobicContact CE2-CB 3.95Å; F572-C594 VanDerWaalsContact CE2-SG 3.55Å; F572-C594 VanDerWaalsContact CZ-SG 3.51Å; F572-P627 HydrophobicContact CD1-CB 4.08Å; F572-P627 HydrophobicContact CE1-CB 3.9Å; F572-P627 HydrophobicContact CZ-CB 4.19Å; F572-W630 AromaticContact CD1-CE3 3.55Å; F572-W630 HydrophobicContact CD1-CE3 3.55Å; F572-W630 AromaticContact CD1-CZ3 3.81Å; F572-W630 HydrophobicContact CD1-CZ3 3.81Å; F572-W630 HydrophobicContact CE1-CB 4.45Å; F572-W630 AromaticContact CE1-CE3 3.76Å; F572-W630 HydrophobicContact CE1-CE3 3.76Å; F572-W630 HydrophobicContact CE1-CZ3 4.46Å
573	A	92.9	Very high	93.3	Very high	7 Å²	7	37 Å²	37	6%	0.058	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-38.6	177.1	0	0	0	0	0	112.3	N569 Q570 L576 T577	N569-A573 WeakPolarHBondContact O-CB 3.18Å; N569-A573 PolarHBondContact O-N 3.34Å; Q570-A573 PolarHBondContact O-N 2.91Å; A573-L576 PolarHBondContact O-N 3.2Å; A573-T577 WeakPolarHBondContact O-CB 3.3Å; A573-T577 PolarHBondContact O-N 3.39Å; A573-T577 PolarHBondContact O-OG1 3.39Å
574	N	92.9	Very high	93.1	Very high	75 Å²	75	38.4 Å²	38.4	40%	0.401	20%	0.203	S	C	.	.	H	α-helix	trans	-61.1	-49.3	173.1	-64.9	-12.2	0	0	0	110.8	Q570 F572 L576 T577 E578	Q570-N574 PolarHBondContact NE2-OD1 3.18Å; Q570-N574 WeakPolarHBondContact O-CB 3.44Å; Q570-N574 PolarHBondContact O-N 3.35Å; Q570-N574 PolarHBondContact O-ND2 3.28Å; Q570-N574 PolarHBondContact O-OD1 2.85Å; F572-N574 PolarHBondContact O-N 3.19Å; N574-L576 PolarHBondContact O-N 3.38Å; N574-T577 PolarHBondContact O-N 2.88Å; N574-E578 PolarHBondContact O-N 3.37Å
575	L	93.7	Very high	93	Very high	9 Å²	9	44 Å²	44	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-59.9	-42.7	175.7	-86.2	167.8	0	0	0	112.9	Y546 E571 F572 E578 N579 M593	Y546-L575 HydrophobicContact CD1-CD1 3.82Å; Y546-L575 HydrophobicContact CD1-CG 4.41Å; Y546-L575 HydrophobicContact CD2-CD1 4.48Å; Y546-L575 HydrophobicContact CD2-CD2 4.35Å; Y546-L575 HydrophobicContact CE1-CD1 3.93Å; Y546-L575 HydrophobicContact CE1-CD2 4.03Å; Y546-L575 HydrophobicContact CE1-CG 4Å; Y546-L575 HydrophobicContact CE2-CD2 3.76Å; Y546-L575 HydrophobicContact CG-CD1 4.12Å; E571-L575 WeakPolarHBondContact O-CB 3.3Å; E571-L575 WeakPolarHBondContact O-CG 3.34Å; E571-L575 PolarHBondContact O-N 2.91Å; F572-L575 WeakPolarHBondContact O-CB 3.21Å; F572-L575 PolarHBondContact O-N 3.26Å; L575-E578 PolarHBondContact O-N 2.69Å; L575-N579 PolarHBondContact O-N 3.44Å; L575-N579 PolarHBondContact O-ND2 3.14Å; L575-M593 HydrophobicContact CD1-CE 3.61Å
576	L	93.5	Very high	92.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-46.8	178.2	-177.5	50.9	0	0	0	110.4	I136 F572 A573 N574 E578 N579 V580 V587 L590 W630 L631 V634	I136-L576 HydrophobicContact CD1-CB 4.12Å; I136-L576 HydrophobicContact CD1-CD2 3.54Å; I136-L576 HydrophobicContact CD1-CG 3.74Å; F572-L576 HydrophobicContact CE1-CD2 4.01Å; F572-L576 WeakPolarHBondContact O-CB 3.27Å; F572-L576 PolarHBondContact O-N 3.17Å; A573-L576 PolarHBondContact O-N 3.2Å; N574-L576 PolarHBondContact O-N 3.38Å; L576-E578 VanDerWaalsContact C-N 3.34Å; L576-E578 PolarHBondContact O-N 2.93Å; L576-N579 PolarHBondContact O-N 3.37Å; L576-V580 HydrophobicContact CD1-CG2 4.49Å; L576-V580 WeakPolarHBondContact O-CG2 3.46Å; L576-V580 PolarHBondContact O-N 2.74Å; L576-V587 HydrophobicContact CD1-CG1 3.75Å; L576-L590 HydrophobicContact CB-CD1 4.26Å; L576-L590 HydrophobicContact CD1-CD1 3.91Å; L576-W630 HydrophobicContact CD2-CB 4.02Å; L576-L631 HydrophobicContact CD1-CD1 3.69Å; L576-V634 HydrophobicContact CD1-CB 4.33Å; L576-V634 HydrophobicContact CD1-CG1 4.13Å; L576-V634 HydrophobicContact CD1-CG2 4.31Å; L576-V634 HydrophobicContact CD2-CG2 3.98Å; L576-V634 HydrophobicContact CG-CG2 4.22Å
577	T	91.9	Very high	92.8	Very high	71 Å²	71	42.2 Å²	42.2	44%	0.436	23%	0.226	S	C	.	.	H	α-helix	trans	-58.4	-42.7	175.2	-53.5	0	0	0	0	112.1	A573 N574	A573-T577 WeakPolarHBondContact O-CB 3.3Å; A573-T577 PolarHBondContact O-N 3.39Å; A573-T577 PolarHBondContact O-OG1 3.39Å; N574-T577 PolarHBondContact O-N 2.88Å
578	E	92.5	Very high	92.6	Very high	89 Å²	89	49 Å²	49	42%	0.416	25%	0.253	S	S	.	.	H	α-helix	trans	-62.6	-45.6	176.3	-167	-160.6	135.3	0	0	111.9	N574 L575 L576 T581 K582	N574-E578 PolarHBondContact O-N 3.37Å; L575-E578 PolarHBondContact O-N 2.69Å; L576-E578 VanDerWaalsContact C-N 3.34Å; L576-E578 PolarHBondContact O-N 2.93Å; E578-T581 PolarHBondContact O-OG1 3.37Å; E578-K582 WeakPolarHBondContact OE1-CE 3.38Å; E578-K582 IonicContact OE1-NZ 3.6Å; E578-K582 PolarHBondContact OE1-NZ 2.91Å
579	N	93.1	Very high	92.6	Very high	17 Å²	17	50.9 Å²	50.9	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-80.3	-21.5	-173.4	-70.3	-74.1	0	0	0	113.9	L575 L576 T581 K582 A586 V587 L590	L575-N579 PolarHBondContact O-N 3.44Å; L575-N579 PolarHBondContact O-ND2 3.14Å; L576-N579 PolarHBondContact O-N 3.37Å; N579-T581 PolarHBondContact O-N 3.32Å; N579-K582 WeakPolarHBondContact O-CB 3.29Å; N579-K582 PolarHBondContact O-N 3.15Å; N579-K582 WeakPolarHBondContact OD1-CD 3.4Å; N579-K582 PolarHBondContact OD1-NZ 3.03Å; N579-A586 HydrophobicContact CB-CB 4.18Å; N579-V587 VanDerWaalsContact C-CG2 3.48Å; N579-V587 HydrophobicContact CB-CG2 4.2Å; N579-V587 WeakPolarHBondContact O-CG2 3.4Å; N579-L590 HydrophobicContact CB-CD1 4.02Å
580	V	91	Very high	92.7	Very high	10 Å²	10	51.2 Å²	51.2	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-52.5	-40.3	169.7	163.5	0	0	0	0	111.3	I136 V138 L576 K582 G583 V587 V634 M638	I136-V580 HydrophobicContact CG2-CG2 4.44Å; V138-V580 HydrophobicContact CG1-CG1 4.3Å; L576-V580 HydrophobicContact CD1-CG2 4.49Å; L576-V580 WeakPolarHBondContact O-CG2 3.46Å; L576-V580 PolarHBondContact O-N 2.74Å; V580-K582 PolarHBondContact O-N 3.39Å; V580-G583 PolarHBondContact O-N 3.31Å; V580-V587 HydrophobicContact CB-CG2 4.47Å; V580-V587 HydrophobicContact CG2-CG2 4.02Å; V580-V634 HydrophobicContact CG2-CG1 3.43Å; V580-V634 VanDerWaalsContact CG2-CG1 3.43Å; V580-M638 HydrophobicContact CG2-SD 4.37Å; V580-M638 WeakPolarHBondContact O-CE 3.1Å
581	T	87.8	Confident	92.8	Very high	122 Å²	122	50.5 Å²	50.5	75%	0.748	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-11.8	179	69.4	0	0	0	0	114.6	E578 N579	E578-T581 PolarHBondContact O-OG1 3.37Å; N579-T581 PolarHBondContact O-N 3.32Å
582	K	91.1	Very high	92.9	Very high	111 Å²	111	52 Å²	52	48%	0.483	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-2.7	-177.2	-55.3	179	-162.6	164.4	0	113.6	E578 N579 V580 A586	E578-K582 WeakPolarHBondContact OE1-CE 3.38Å; E578-K582 IonicContact OE1-NZ 3.6Å; E578-K582 PolarHBondContact OE1-NZ 2.91Å; N579-K582 WeakPolarHBondContact O-CB 3.29Å; N579-K582 PolarHBondContact O-N 3.15Å; N579-K582 WeakPolarHBondContact OD1-CD 3.4Å; N579-K582 PolarHBondContact OD1-NZ 3.03Å; V580-K582 PolarHBondContact O-N 3.39Å; K582-A586 HydrophobicContact CB-CB 3.62Å; K582-A586 HydrophobicContact CD-CB 4.4Å
583	G	89.7	Confident	92.9	Very high	29 Å²	29	53.1 Å²	53.1	30%	0.299	29%	0.285	S	S	.	.			trans	96	177.1	178	0	0	0	0	0	115.1	V580 E585 A586 V587 M638	V580-G583 PolarHBondContact O-N 3.31Å; G583-E585 PolarHBondContact O-N 3.35Å; G583-A586 PolarHBondContact O-N 2.67Å; G583-V587 PolarHBondContact O-N 2.97Å; G583-M638 VanDerWaalsContact C-CE 3.46Å
584	F	91.5	Very high	93.1	Very high	45 Å²	45	52.8 Å²	52.8	20%	0.197	28%	0.282	C	S	.	.	H	α-helix	trans	-57.1	-47.4	-167	-176.5	-81.8	0	0	0	113.4	A586 V587 Y588 L635 M638 G639 P641	F584-A586 VanDerWaalsContact C-N 3.33Å; F584-A586 PolarHBondContact O-N 3.24Å; F584-V587 PolarHBondContact O-N 2.82Å; F584-Y588 HydrophobicContact CE1-CD2 4.13Å; F584-Y588 HydrophobicContact CE1-CG 4.24Å; F584-Y588 HydrophobicContact CZ-CD2 4.41Å; F584-Y588 WeakPolarHBondContact O-CB 3.29Å; F584-Y588 PolarHBondContact O-N 3.02Å; F584-L635 HydrophobicContact CD2-CD2 4.06Å; F584-L635 HydrophobicContact CE1-CD2 4.47Å; F584-L635 HydrophobicContact CE2-CD2 3.82Å; F584-L635 HydrophobicContact CG-CD2 4.49Å; F584-L635 HydrophobicContact CZ-CD2 4.04Å; F584-M638 HydrophobicContact CD2-CB 4.16Å; F584-G639 WeakPolarHBondContact CD2-O 3.37Å; F584-G639 VanDerWaalsContact CE2-O 3.31Å; F584-G639 WeakPolarHBondContact CE2-O 3.19Å; F584-P641 HydrophobicContact CD1-CB 4.46Å; F584-P641 HydrophobicContact CD1-CG 3.69Å; F584-P641 HydrophobicContact CE1-CG 3.71Å; F584-P641 HydrophobicContact CG-CG 4.49Å
585	E	92.4	Very high	93.3	Very high	123 Å²	123	50.1 Å²	50.1	58%	0.575	27%	0.268	S	S	*	.	H	α-helix	trans	-63.6	-37.6	-176	-62.8	-166.7	162.5	0	0	112.8	G583 Y588 S589	G583-E585 PolarHBondContact O-N 3.35Å; E585-Y588 PolarHBondContact O-N 3.27Å; E585-S589 WeakPolarHBondContact O-CB 3.45Å; E585-S589 PolarHBondContact O-N 3.01Å
586	A	93.3	Very high	93.6	Very high	22 Å²	22	49.7 Å²	49.7	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-44.6	178.2	0	0	0	0	0	111.1	N579 K582 G583 F584 S589	N579-A586 HydrophobicContact CB-CB 4.18Å; K582-A586 HydrophobicContact CB-CB 3.62Å; K582-A586 HydrophobicContact CD-CB 4.4Å; G583-A586 PolarHBondContact O-N 2.67Å; F584-A586 VanDerWaalsContact C-N 3.33Å; F584-A586 PolarHBondContact O-N 3.24Å; A586-S589 PolarHBondContact O-OG 3.06Å
587	V	93.9	Very high	93.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-48.1	174.2	176.8	0	0	0	0	110.8	L576 N579 V580 G583 F584 S589 L590 L631 V634 L635 M638	L576-V587 HydrophobicContact CD1-CG1 3.75Å; N579-V587 VanDerWaalsContact C-CG2 3.48Å; N579-V587 HydrophobicContact CB-CG2 4.2Å; N579-V587 WeakPolarHBondContact O-CG2 3.4Å; V580-V587 HydrophobicContact CB-CG2 4.47Å; V580-V587 HydrophobicContact CG2-CG2 4.02Å; G583-V587 PolarHBondContact O-N 2.97Å; F584-V587 PolarHBondContact O-N 2.82Å; V587-S589 PolarHBondContact O-N 2.91Å; V587-S589 VanDerWaalsContact O-N 3.14Å; V587-L590 VanDerWaalsContact O-CB 3.24Å; V587-L590 WeakPolarHBondContact O-CB 3.47Å; V587-L590 PolarHBondContact O-N 3.48Å; V587-L631 HydrophobicContact CG1-CD1 3.5Å; V587-L631 VanDerWaalsContact CG1-CD1 3.5Å; V587-L631 WeakPolarHBondContact O-CD1 3.4Å; V587-V634 HydrophobicContact CG1-CG1 3.98Å; V587-L635 HydrophobicContact CB-CD2 4.04Å; V587-L635 HydrophobicContact CG1-CD2 3.66Å; V587-L635 HydrophobicContact CG1-CG 3.88Å; V587-M638 HydrophobicContact CB-SD 3.91Å; V587-M638 HydrophobicContact CG1-SD 4.16Å; V587-M638 HydrophobicContact CG2-CE 3.87Å; V587-M638 HydrophobicContact CG2-SD 3.57Å; V587-M638 VanDerWaalsContact CG2-SD 3.57Å
588	Y	94.1	Very high	94.2	Very high	143 Å²	143	50.1 Å²	50.1	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-55.9	-35.8	179.3	-173.5	-96.3	0	0	0	112.4	F584 E585 L590 T591 L635	F584-Y588 HydrophobicContact CE1-CD2 4.13Å; F584-Y588 HydrophobicContact CE1-CG 4.24Å; F584-Y588 HydrophobicContact CZ-CD2 4.41Å; F584-Y588 WeakPolarHBondContact O-CB 3.29Å; F584-Y588 PolarHBondContact O-N 3.02Å; E585-Y588 PolarHBondContact O-N 3.27Å; Y588-L590 PolarHBondContact O-N 3.38Å; Y588-T591 WeakPolarHBondContact O-CB 3.35Å; Y588-T591 PolarHBondContact O-N 2.69Å; Y588-T591 VanDerWaalsContact O-N 3.13Å; Y588-T591 PolarHBondContact O-OG1 3.09Å; Y588-L635 HydrophobicContact CD2-CD1 4.1Å
589	S	94	Very high	94.4	Very high	61 Å²	61	45.9 Å²	45.9	43%	0.427	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-27.6	176.1	84.1	0	0	0	0	114.1	E585 A586 V587 T591 N592	E585-S589 WeakPolarHBondContact O-CB 3.45Å; E585-S589 PolarHBondContact O-N 3.01Å; A586-S589 PolarHBondContact O-OG 3.06Å; V587-S589 PolarHBondContact O-N 2.91Å; V587-S589 VanDerWaalsContact O-N 3.14Å; S589-T591 PolarHBondContact O-N 2.92Å; S589-N592 PolarHBondContact O-N 2.79Å; S589-N592 PolarHBondContact O-ND2 3.18Å; S589-N592 VanDerWaalsContact O-ND2 3.12Å
590	L	95.5	Very high	94.7	Very high	9 Å²	9	45.2 Å²	45.2	5%	0.047	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-67.9	-10.2	177.8	-61.1	177.5	0	0	0	113.3	F572 L576 N579 V587 Y588 N592 M593 L631	F572-L590 HydrophobicContact CE2-CB 4.24Å; L576-L590 HydrophobicContact CB-CD1 4.26Å; L576-L590 HydrophobicContact CD1-CD1 3.91Å; N579-L590 HydrophobicContact CB-CD1 4.02Å; V587-L590 VanDerWaalsContact O-CB 3.24Å; V587-L590 WeakPolarHBondContact O-CB 3.47Å; V587-L590 PolarHBondContact O-N 3.48Å; Y588-L590 PolarHBondContact O-N 3.38Å; L590-N592 PolarHBondContact O-N 3.39Å; L590-M593 HydrophobicContact CB-CG 4.43Å; L590-M593 HydrophobicContact CD2-CG 3.87Å; L590-M593 VanDerWaalsContact O-CB 3.29Å; L590-M593 WeakPolarHBondContact O-CB 3.43Å; L590-M593 PolarHBondContact O-N 3.33Å; L590-L631 HydrophobicContact CB-CD1 3.99Å; L590-L631 HydrophobicContact CB-CD2 4.45Å
591	T	96	Very high	95.1	Very high	47 Å²	47	46 Å²	46	29%	0.288	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-51.7	-39.9	169.6	-53	0	0	0	0	110.6	Y588 S589 M593 C594 L628 L631	Y588-T591 WeakPolarHBondContact O-CB 3.35Å; Y588-T591 PolarHBondContact O-N 2.69Å; Y588-T591 VanDerWaalsContact O-N 3.13Å; Y588-T591 PolarHBondContact O-OG1 3.09Å; S589-T591 PolarHBondContact O-N 2.92Å; T591-M593 VanDerWaalsContact C-N 3.25Å; T591-M593 PolarHBondContact O-N 2.86Å; T591-C594 WeakPolarHBondContact O-CB 3.47Å; T591-C594 PolarHBondContact O-N 2.9Å; T591-C594 VanDerWaalsContact O-N 3.1Å; T591-L628 HydrophobicContact CG2-CD2 4.32Å; T591-L631 VanDerWaalsContact CA-CD2 3.47Å; T591-L631 VanDerWaalsContact N-CD2 3.32Å; T591-L631 WeakPolarHBondContact OG1-CD2 3.31Å
592	N	94.8	Very high	95.6	Very high	103 Å²	103	43.7 Å²	43.7	55%	0.551	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-64	-26.5	177.3	-65.2	-66	0	0	0	113.6	S589 L590 C594 T595	S589-N592 PolarHBondContact O-N 2.79Å; S589-N592 PolarHBondContact O-ND2 3.18Å; S589-N592 VanDerWaalsContact O-ND2 3.12Å; L590-N592 PolarHBondContact O-N 3.39Å; N592-C594 VanDerWaalsContact C-N 3.25Å; N592-C594 PolarHBondContact O-N 3.06Å; N592-T595 PolarHBondContact O-N 3.35Å
593	M	95.7	Very high	95.8	Very high	22 Å²	22	38.7 Å²	38.7	11%	0.108	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-69.7	-27	176.9	-57.4	-67.1	-81.4	0	0	111.7	P542 N543 Y546 F567 F572 L575 L590 T591 T595	P542-M593 HydrophobicContact CB-CE 4.45Å; P542-M593 HydrophobicContact CB-SD 3.4Å; P542-M593 WeakPolarHBondContact CB-SD 3.34Å; N543-M593 HydrophobicContact CB-CE 4.25Å; Y546-M593 HydrophobicContact CG-CE 4.45Å; F567-M593 WeakPolarHBondContact CE2-O 3.41Å; F572-M593 HydrophobicContact CD2-CB 4.03Å; F572-M593 HydrophobicContact CE2-CB 3.95Å; L575-M593 HydrophobicContact CD1-CE 3.61Å; L590-M593 HydrophobicContact CB-CG 4.43Å; L590-M593 HydrophobicContact CD2-CG 3.87Å; L590-M593 VanDerWaalsContact O-CB 3.29Å; L590-M593 WeakPolarHBondContact O-CB 3.43Å; L590-M593 PolarHBondContact O-N 3.33Å; T591-M593 VanDerWaalsContact C-N 3.25Å; T591-M593 PolarHBondContact O-N 2.86Å; M593-T595 VanDerWaalsContact C-N 3.31Å
594	C	97.1	Very high	96.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-82.4	-7.8	-178.1	-52.8	0	0	0	0	113.7	F572 T591 N592 L624 P627 L628	F572-C594 VanDerWaalsContact CE2-SG 3.55Å; F572-C594 VanDerWaalsContact CZ-SG 3.51Å; T591-C594 WeakPolarHBondContact O-CB 3.47Å; T591-C594 PolarHBondContact O-N 2.9Å; T591-C594 VanDerWaalsContact O-N 3.1Å; N592-C594 VanDerWaalsContact C-N 3.25Å; N592-C594 PolarHBondContact O-N 3.06Å; C594-L624 PolarHBondContact O-N 3.16Å; C594-P627 HydrophobicContact CB-CB 4.23Å; C594-L628 HydrophobicContact CB-CD2 3.57Å; C594-L628 HydrophobicContact CB-CG 3.73Å
595	T	97.8	Very high	96.5	Very high	19 Å²	19	35.9 Å²	35.9	12%	0.117	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.4	-179.6	-62.5	0	0	0	0	110.6	N592 M593 E621 I622 H623	N592-T595 PolarHBondContact O-N 3.35Å; M593-T595 VanDerWaalsContact C-N 3.31Å; T595-E621 HydrophobicContact CG2-CG 3.5Å; T595-I622 WeakPolarHBondContact CA-O 3.5Å; T595-H623 PolarHBondContact OG1-CD2 3.48Å; T595-H623 VanDerWaalsContact OG1-CD2 3.26Å; T595-H623 PolarHBondContact OG1-NE2 2.97Å
596	I	98.6	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.3	177.3	-59.1	177.6	0	0	0	109.2	V539 I566 F567 I622 L624	V539-I596 HydrophobicContact CG1-CG2 3.73Å; I566-I596 HydrophobicContact CB-CD1 4.32Å; I566-I596 HydrophobicContact CD1-CD1 3.95Å; I566-I596 HydrophobicContact CD1-CG2 4.27Å; I566-I596 HydrophobicContact CG1-CD1 4.19Å; F567-I596 HydrophobicContact CB-CD1 4.15Å; F567-I596 HydrophobicContact CD2-CD1 4.33Å; I596-I622 HydrophobicContact CB-CB 4.36Å; I596-I622 HydrophobicContact CG2-CD1 4.43Å; I596-I622 PolarHBondContact N-O 3.26Å; I596-I622 PolarHBondContact O-N 3.31Å; I596-L624 HydrophobicContact CD1-CD1 4.06Å
597	R	98.7	Very high	96.5	Very high	81 Å²	81	40.1 Å²	40.1	31%	0.306	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.7	178.1	-61.2	-171.8	176.7	108.6	8.5	111	V539 Q540 W604 V613 W619 I620 E621	V539-R597 WeakPolarHBondContact CA-O 3.44Å; Q540-R597 HydrophobicContact CB-CB 4.5Å; Q540-R597 PolarHBondContact N-O 3.12Å; Q540-R597 PolarHBondContact O-N 2.84Å; R597-W604 HydrophobicContact CB-CH2 4.46Å; R597-W604 HydrophobicContact CB-CZ2 4.33Å; R597-V613 HydrophobicContact CB-CG2 4.47Å; R597-W619 HydrophobicContact CG-CZ3 4.23Å; R597-I620 WeakPolarHBondContact CA-O 3.34Å; R597-E621 HydrophobicContact CG-CG 4.28Å; R597-E621 IonicContact CZ-OE2 3.16Å; R597-E621 IonicContact NE-OE2 2.7Å; R597-E621 PolarHBondContact NE-OE2 3.3Å; R597-E621 IonicContact NH2-OE2 2.77Å; R597-E621 PolarHBondContact NH2-OE2 3.02Å
598	M	98.7	Very high	96.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	124.1	-178.8	-178.1	-176.5	-48.6	0	0	112.4	V518 L520 A529 I537 F538 V539 W619 I620 I622	V518-M598 HydrophobicContact CB-SD 3.89Å; V518-M598 HydrophobicContact CG1-SD 3.71Å; V518-M598 HydrophobicContact CG2-CE 3.99Å; V518-M598 HydrophobicContact CG2-SD 3.74Å; L520-M598 HydrophobicContact CD2-CE 4.04Å; A529-M598 HydrophobicContact CB-CE 3.93Å; I537-M598 HydrophobicContact CB-CG 4.3Å; I537-M598 HydrophobicContact CB-SD 4.25Å; I537-M598 HydrophobicContact CD1-SD 3.8Å; I537-M598 HydrophobicContact CG1-SD 4.41Å; F538-M598 CarbonylContact O-C 3.54Å; F538-M598 WeakPolarHBondContact O-CA 3.4Å; V539-M598 HydrophobicContact CG2-CB 4.48Å; V539-M598 HydrophobicContact CG2-CE 3.82Å; V539-M598 HydrophobicContact CG2-CG 4.01Å; V539-M598 HydrophobicContact CG2-SD 4.36Å; M598-W619 CarbonylContact O-C 3.57Å; M598-W619 WeakPolarHBondContact O-CA 3.24Å; M598-W619 VanDerWaalsContact O-CB 3.26Å; M598-W619 WeakPolarHBondContact O-CB 3.43Å; M598-I620 HydrophobicContact CB-CD1 4.39Å; M598-I620 HydrophobicContact CB-CG1 3.9Å; M598-I620 PolarHBondContact N-O 3.02Å; M598-I620 PolarHBondContact O-N 3.28Å; M598-I620 HydrophobicContact SD-CD1 4.42Å; M598-I622 HydrophobicContact CE-CD1 4.29Å
599	S	98.7	Very high	96.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	144	174.1	-168.4	0	0	0	0	112.1	I537 F538 K602 T616 C618	I537-S599 WeakPolarHBondContact CA-O 3.3Å; F538-S599 PolarHBondContact N-O 3.19Å; F538-S599 PolarHBondContact O-N 3.38Å; S599-K602 WeakPolarHBondContact CB-O 3.39Å; S599-K602 PolarHBondContact OG-O 3Å; S599-K602 VanDerWaalsContact OG-O 3.06Å; S599-T616 WeakPolarHBondContact OG-CB 3.37Å; S599-T616 WeakPolarHBondContact OG-CG2 3.4Å; S599-T616 PolarHBondContact OG-OG1 3.33Å; S599-C618 PolarHBondContact OG-O 3.38Å; S599-C618 VanDerWaalsContact OG-O 3.13Å
600	F	98.7	Very high	96.9	Very high	2 Å²	2	49 Å²	49	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	136.3	174.8	-60.3	-85.7	0	0	0	110.8	V481 L495 I514 V518 I537 K602 C618 I620	V481-F600 HydrophobicContact CB-CZ 4.46Å; V481-F600 HydrophobicContact CG1-CZ 4.03Å; L495-F600 HydrophobicContact CD1-CD2 4.45Å; L495-F600 HydrophobicContact CD1-CE2 3.72Å; L495-F600 HydrophobicContact CD1-CZ 4.04Å; I514-F600 HydrophobicContact CD1-CB 4.46Å; I514-F600 HydrophobicContact CD1-CD2 4.3Å; I514-F600 HydrophobicContact CD1-CG 4.3Å; I514-F600 HydrophobicContact CG1-CB 3.95Å; I514-F600 HydrophobicContact CG1-CD1 4.4Å; I514-F600 HydrophobicContact CG1-CG 4.07Å; I514-F600 HydrophobicContact CG2-CD1 3.94Å; I514-F600 HydrophobicContact CG2-CE1 4.09Å; I514-F600 HydrophobicContact CG2-CG 4.39Å; V518-F600 HydrophobicContact CB-CE1 4.35Å; V518-F600 HydrophobicContact CG1-CE1 3.92Å; V518-F600 HydrophobicContact CG1-CZ 4.05Å; I537-F600 HydrophobicContact CG2-CD1 3.84Å; I537-F600 HydrophobicContact CG2-CE1 4.3Å; F600-K602 PolarHBondContact O-N 2.77Å; F600-C618 HydrophobicContact CD2-CB 4.41Å; F600-C618 PolarHBondContact N-O 2.85Å; F600-I620 HydrophobicContact CE2-CD1 4.49Å; F600-I620 HydrophobicContact CE2-CG1 4.23Å; F600-I620 HydrophobicContact CE2-CG2 4.12Å; F600-I620 HydrophobicContact CZ-CD1 4.24Å; F600-I620 HydrophobicContact CZ-CG1 4.46Å
601	V	98.4	Very high	97	Very high	26 Å²	26	54.4 Å²	54.4	16%	0.158	27%	0.268	C	S	.	.	S	Bend	trans	67.3	-34.4	171.4	-164.4	0	0	0	0	115.5	T510 H513 A536	T510-V601 HydrophobicContact CG2-CB 4.02Å; T510-V601 HydrophobicContact CG2-CG2 3.98Å; H513-V601 HydrophobicContact CB-CG1 4.26Å; H513-V601 HydrophobicContact CB-CG2 3.74Å; A536-V601 WeakPolarHBondContact O-CA 3.35Å; A536-V601 PolarHBondContact O-N 2.77Å
602	K	98	Very high	97.1	Very high	74 Å²	74	55.4 Å²	55.4	32%	0.322	27%	0.274	S	S	.	.			trans	-121.7	118.5	-173.4	-52.6	-57	177.8	-167.9	0	111.4	S599 F600 P617	S599-K602 WeakPolarHBondContact CB-O 3.39Å; S599-K602 PolarHBondContact OG-O 3Å; S599-K602 VanDerWaalsContact OG-O 3.06Å; F600-K602 PolarHBondContact O-N 2.77Å; K602-P617 HydrophobicContact CG-CG 4.13Å
603	G	97.2	Very high	97.2	Very high	6 Å²	6	51.2 Å²	51.2	6%	0.062	25%	0.252	C	S	.	.			trans	-72.8	161.6	173.4	0	0	0	0	0	114	F538	F538-G603 VanDerWaalsContact CD1-CA 3.42Å; F538-G603 VanDerWaalsContact CG-CA 3.45Å
604	W	98.4	Very high	97.3	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.019	26%	0.263	C	S	.	.			trans	-141.7	171.2	170.4	81.7	97.5	0	0	0	110	F538 Q540 V555 R597 Y608 R610 V613 T616	F538-W604 HydrophobicContact CB-CE3 4.14Å; F538-W604 HydrophobicContact CB-CZ3 3.73Å; F538-W604 WeakPolarHBondContact O-CH2 3.47Å; F538-W604 VanDerWaalsContact O-CZ3 3.27Å; F538-W604 WeakPolarHBondContact O-CZ3 3.14Å; Q540-W604 HydrophobicContact CB-CH2 4.13Å; Q540-W604 HydrophobicContact CB-CZ2 3.58Å; V555-W604 WeakPolarHBondContact CB-O 3.31Å; V555-W604 HydrophobicContact CG1-CD2 4.06Å; V555-W604 HydrophobicContact CG1-CE3 3.88Å; V555-W604 HydrophobicContact CG1-CH2 3.93Å; V555-W604 HydrophobicContact CG1-CZ2 4.11Å; V555-W604 HydrophobicContact CG1-CZ3 3.79Å; V555-W604 HydrophobicContact CG2-CD2 4.04Å; V555-W604 HydrophobicContact CG2-CG 4.35Å; V555-W604 HydrophobicContact CG2-CZ2 3.91Å; V555-W604 WeakPolarHBondContact CG2-O 3.26Å; R597-W604 HydrophobicContact CB-CH2 4.46Å; R597-W604 HydrophobicContact CB-CZ2 4.33Å; W604-Y608 WeakPolarHBondContact O-CD2 3.4Å; W604-R610 CarbonylContact C-O 3.39Å; W604-R610 WeakPolarHBondContact CA-O 3.18Å; W604-R610 HydrophobicContact CB-CB 3.84Å; W604-R610 WeakPolarHBondContact CB-O 3.35Å; W604-V613 VanDerWaalsContact CD1-N 3.32Å; W604-V613 HydrophobicContact CD2-CB 4.09Å; W604-V613 HydrophobicContact CD2-CG2 4.1Å; W604-V613 HydrophobicContact CE3-CG2 4.29Å; W604-V613 HydrophobicContact CG-CB 4.37Å; W604-V613 HydrophobicContact CH2-CG2 4.02Å; W604-V613 HydrophobicContact CZ2-CB 4.02Å; W604-V613 HydrophobicContact CZ2-CG2 3.78Å; W604-V613 HydrophobicContact CZ3-CG2 4.26Å; W604-T616 HydrophobicContact CB-CG2 3.85Å; W604-T616 HydrophobicContact CD2-CG2 4.34Å; W604-T616 HydrophobicContact CE3-CG2 4.04Å; W604-T616 HydrophobicContact CG-CG2 4.3Å
605	G	96.7	Very high	97.4	Very high	11 Å²	11	54.9 Å²	54.9	11%	0.113	28%	0.277	C	S	.	.	S	Bend	trans	101.8	-168.1	-177	0	0	0	0	0	112.3	D607 Y608 R610 Q611	G605-D607 VanDerWaalsContact C-N 3.29Å; G605-D607 PolarHBondContact O-N 3.03Å; G605-D607 VanDerWaalsContact O-N 3.16Å; G605-Y608 PolarHBondContact O-N 3.13Å; G605-R610 PolarHBondContact N-O 2.88Å; G605-Q611 PolarHBondContact O-NE2 3.03Å
606	A	94	Very high	97.4	Very high	91 Å²	91	54 Å²	54	75%	0.752	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-41.3	-169.9	0	0	0	0	0	114.1	Y608	A606-Y608 VanDerWaalsContact C-N 3.27Å; A606-Y608 PolarHBondContact O-N 2.78Å
607	D	92	Very high	97.4	Very high	142 Å²	142	54.1 Å²	54.1	76%	0.759	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	3.8	-176.1	-50	-54.7	0	0	0	114.3	G605	G605-D607 VanDerWaalsContact C-N 3.29Å; G605-D607 PolarHBondContact O-N 3.03Å; G605-D607 VanDerWaalsContact O-N 3.16Å
608	Y	96.2	Very high	97.4	Very high	67 Å²	67	50.2 Å²	50.2	26%	0.263	26%	0.258	S	S	.	.	S	Bend	trans	-130.2	151.7	-171.5	-58.3	-86.8	0	0	0	112.2	F538 W604 G605 A606 R610 Q611	F538-Y608 HydrophobicContact CD1-CE1 4.42Å; F538-Y608 AromaticContact CE1-CE1 3.8Å; F538-Y608 HydrophobicContact CE1-CE1 3.8Å; F538-Y608 AromaticContact CE1-CZ 3.69Å; F538-Y608 WeakPolarHBondContact CE1-OH 3.47Å; W604-Y608 WeakPolarHBondContact O-CD2 3.4Å; G605-Y608 PolarHBondContact O-N 3.13Å; A606-Y608 VanDerWaalsContact C-N 3.27Å; A606-Y608 PolarHBondContact O-N 2.78Å; Y608-R610 PolarHBondContact O-N 2.7Å; Y608-R610 VanDerWaalsContact O-N 3.09Å; Y608-Q611 PolarHBondContact O-NE2 2.96Å
609	R	96.8	Very high	97.4	Very high	248 Å²	248	50.7 Å²	50.7	94%	0.936	26%	0.26	S	S	*	.	S	Bend	trans	-56.9	-26.8	173.4	179.4	176.3	171.8	-169.2	-2.2	113.2
610	R	97.5	Very high	97.4	Very high	77 Å²	77	50.7 Å²	50.7	29%	0.291	26%	0.26	S	S	.	.			trans	-89.7	116	177.8	-69.9	175.9	173.8	78.7	6.8	108.9	W604 G605 Y608 S615	W604-R610 CarbonylContact C-O 3.39Å; W604-R610 WeakPolarHBondContact CA-O 3.18Å; W604-R610 HydrophobicContact CB-CB 3.84Å; W604-R610 WeakPolarHBondContact CB-O 3.35Å; G605-R610 PolarHBondContact N-O 2.88Å; Y608-R610 PolarHBondContact O-N 2.7Å; Y608-R610 VanDerWaalsContact O-N 3.09Å; R610-S615 WeakPolarHBondContact CD-O 3.43Å; R610-S615 PolarHBondContact NE-O 2.81Å
611	Q	97.1	Very high	97.4	Very high	122 Å²	122	51.6 Å²	51.6	57%	0.57	26%	0.264	S	S	*	.			trans	-84.1	-31.2	178.5	-63.7	-57.1	-47	0	0	112.6	G605 Y608	G605-Q611 PolarHBondContact O-NE2 3.03Å; Y608-Q611 PolarHBondContact O-NE2 2.96Å
612	T	97.6	Very high	97.4	Very high	67 Å²	67	50.5 Å²	50.5	41%	0.411	26%	0.257	S	S	.	.	S	Bend	trans	-109.5	151.8	179.4	67.2	0	0	0	0	112.5	T614 S615	T612-T614 WeakPolarHBondContact CB-OG1 3.5Å; T612-T614 PolarHBondContact O-N 2.86Å; T612-T614 PolarHBondContact OG1-OG1 3.12Å; T612-S615 VanDerWaalsContact O-CB 3.3Å; T612-S615 WeakPolarHBondContact O-CB 3.47Å; T612-S615 PolarHBondContact O-N 2.77Å; T612-S615 VanDerWaalsContact O-N 3.1Å; T612-S615 PolarHBondContact OG1-N 3.06Å; T612-S615 PolarHBondContact OG1-OG 3.04Å
613	V	98	Very high	97.4	Very high	15 Å²	15	48.2 Å²	48.2	9%	0.091	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-61.4	-33.8	172.2	71.9	0	0	0	0	111.9	R597 W604 S615 T616 W619	R597-V613 HydrophobicContact CB-CG2 4.47Å; W604-V613 VanDerWaalsContact CD1-N 3.32Å; W604-V613 HydrophobicContact CD2-CB 4.09Å; W604-V613 HydrophobicContact CD2-CG2 4.1Å; W604-V613 HydrophobicContact CE3-CG2 4.29Å; W604-V613 HydrophobicContact CG-CB 4.37Å; W604-V613 HydrophobicContact CH2-CG2 4.02Å; W604-V613 HydrophobicContact CZ2-CB 4.02Å; W604-V613 HydrophobicContact CZ2-CG2 3.78Å; W604-V613 HydrophobicContact CZ3-CG2 4.26Å; V613-S615 PolarHBondContact O-N 2.94Å; V613-S615 VanDerWaalsContact O-N 3.12Å; V613-T616 VanDerWaalsContact O-CB 3.31Å; V613-T616 WeakPolarHBondContact O-CB 3.48Å; V613-T616 WeakPolarHBondContact O-CG2 3.46Å; V613-T616 PolarHBondContact O-N 3.4Å; V613-T616 PolarHBondContact O-OG1 2.88Å; V613-W619 HydrophobicContact CG1-CD2 4.35Å; V613-W619 HydrophobicContact CG1-CE3 4.27Å; V613-W619 HydrophobicContact CG1-CH2 4Å; V613-W619 HydrophobicContact CG1-CZ2 4.05Å; V613-W619 HydrophobicContact CG1-CZ3 4.09Å; V613-W619 HydrophobicContact CG2-CB 4.12Å; V613-W619 HydrophobicContact CG2-CD2 3.53Å; V613-W619 HydrophobicContact CG2-CE3 3.61Å; V613-W619 HydrophobicContact CG2-CG 3.77Å; V613-W619 HydrophobicContact CG2-CZ3 4.25Å
614	T	98.1	Very high	97.4	Very high	58 Å²	58	48 Å²	48	36%	0.356	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-65.2	-12.5	175.8	52.5	0	0	0	0	114	M464 N465 T612 T616 W619	M464-T614 CarbonylContact C-O 3.6Å; M464-T614 VanDerWaalsContact CA-O 3.24Å; M464-T614 WeakPolarHBondContact CA-O 3.27Å; M464-T614 WeakPolarHBondContact O-CA 3.44Å; N465-T614 HydrophobicContact CB-CG2 4.31Å; T612-T614 WeakPolarHBondContact CB-OG1 3.5Å; T612-T614 PolarHBondContact O-N 2.86Å; T612-T614 PolarHBondContact OG1-OG1 3.12Å; T614-T616 VanDerWaalsContact C-N 3.33Å; T614-W619 HydrophobicContact CG2-CZ2 4.12Å
615	S	97.7	Very high	97.3	Very high	41 Å²	41	49.3 Å²	49.3	29%	0.287	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-84.7	-6.2	170.4	-57.9	0	0	0	0	113	R610 T612 V613	R610-S615 WeakPolarHBondContact CD-O 3.43Å; R610-S615 PolarHBondContact NE-O 2.81Å; T612-S615 VanDerWaalsContact O-CB 3.3Å; T612-S615 WeakPolarHBondContact O-CB 3.47Å; T612-S615 PolarHBondContact O-N 2.77Å; T612-S615 VanDerWaalsContact O-N 3.1Å; T612-S615 PolarHBondContact OG1-N 3.06Å; T612-S615 PolarHBondContact OG1-OG 3.04Å; V613-S615 PolarHBondContact O-N 2.94Å; V613-S615 VanDerWaalsContact O-N 3.12Å
616	T	98.2	Very high	97.1	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-88.5	140.6	-179.1	73.7	0	0	0	0	111.3	M464 S599 W604 V613 T614 C618	M464-T616 WeakPolarHBondContact CA-O 3.36Å; M464-T616 PolarHBondContact N-O 3.12Å; S599-T616 WeakPolarHBondContact OG-CB 3.37Å; S599-T616 WeakPolarHBondContact OG-CG2 3.4Å; S599-T616 PolarHBondContact OG-OG1 3.33Å; W604-T616 HydrophobicContact CB-CG2 3.85Å; W604-T616 HydrophobicContact CD2-CG2 4.34Å; W604-T616 HydrophobicContact CE3-CG2 4.04Å; W604-T616 HydrophobicContact CG-CG2 4.3Å; V613-T616 VanDerWaalsContact O-CB 3.31Å; V613-T616 WeakPolarHBondContact O-CB 3.48Å; V613-T616 WeakPolarHBondContact O-CG2 3.46Å; V613-T616 PolarHBondContact O-N 3.4Å; V613-T616 PolarHBondContact O-OG1 2.88Å; T614-T616 VanDerWaalsContact C-N 3.33Å; T616-C618 VanDerWaalsContact C-N 3.33Å; T616-C618 PolarHBondContact O-N 2.9Å
617	P	98.3	Very high	97.1	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.019	22%	0.215	C	C	.	.	S	Bend	trans	-69.9	-27.9	-171.9	-19.1	32.9	0	0	0	114.1	E463 I507 T510 K602	E463-P617 WeakPolarHBondContact CA-O 3.42Å; I507-P617 HydrophobicContact CB-CB 4.36Å; I507-P617 HydrophobicContact CG1-CB 3.89Å; I507-P617 WeakPolarHBondContact CG2-O 3.23Å; T510-P617 HydrophobicContact CG2-CB 4.08Å; T510-P617 HydrophobicContact CG2-CG 4.39Å; K602-P617 HydrophobicContact CG-CG 4.13Å
618	C	98.7	Very high	97.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-147.2	119.3	-178.3	-60.1	0	0	0	0	109.6	Y461 T510 R511 I514 S599 F600 T616	Y461-C618 HydrophobicContact CE2-CB 4.11Å; Y461-C618 PolarHBondContact OH-SG 2.96Å; Y461-C618 VanDerWaalsContact OH-SG 3.35Å; T510-C618 HydrophobicContact CG2-CB 4.03Å; R511-C618 VanDerWaalsContact CG-SG 3.55Å; I514-C618 HydrophobicContact CD1-CB 4.25Å; S599-C618 PolarHBondContact OG-O 3.38Å; S599-C618 VanDerWaalsContact OG-O 3.13Å; F600-C618 HydrophobicContact CD2-CB 4.41Å; F600-C618 PolarHBondContact N-O 2.85Å; T616-C618 VanDerWaalsContact C-N 3.33Å; T616-C618 PolarHBondContact O-N 2.9Å
619	W	98.8	Very high	97.2	Very high	10 Å²	10	39.5 Å²	39.5	4%	0.038	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	162.7	175.8	62.6	-77.1	0	0	0	111.5	Y461 Y462 M464 R597 M598 V613 T614 E621	Y461-W619 VanDerWaalsContact CD2-O 3.24Å; Y461-W619 WeakPolarHBondContact CD2-O 3.31Å; Y462-W619 HydrophobicContact CD1-CH2 4.27Å; Y462-W619 AromaticContact CD1-CZ2 3.88Å; Y462-W619 HydrophobicContact CD1-CZ2 3.88Å; Y462-W619 HydrophobicContact CD2-CD2 4.27Å; Y462-W619 HydrophobicContact CD2-CE3 4.13Å; Y462-W619 AromaticContact CD2-CH2 3.64Å; Y462-W619 HydrophobicContact CD2-CH2 3.64Å; Y462-W619 AromaticContact CD2-CZ2 3.8Å; Y462-W619 HydrophobicContact CD2-CZ2 3.8Å; Y462-W619 AromaticContact CD2-CZ3 3.84Å; Y462-W619 HydrophobicContact CD2-CZ3 3.84Å; Y462-W619 HydrophobicContact CE1-CZ2 4.49Å; Y462-W619 AromaticContact CE2-CH2 3.92Å; Y462-W619 HydrophobicContact CE2-CH2 3.92Å; Y462-W619 HydrophobicContact CE2-CZ2 4.42Å; Y462-W619 HydrophobicContact CE2-CZ3 4.19Å; Y462-W619 HydrophobicContact CG-CD2 4.3Å; Y462-W619 AromaticContact CG-CE2 3.75Å; Y462-W619 AromaticContact CG-CH2 3.85Å; Y462-W619 HydrophobicContact CG-CH2 3.85Å; Y462-W619 AromaticContact CG-CZ2 3.5Å; Y462-W619 HydrophobicContact CG-CZ2 3.5Å; Y462-W619 HydrophobicContact CG-CZ3 4.39Å; Y462-W619 PolarHBondContact N-O 3.34Å; Y462-W619 PolarHBondContact O-N 2.86Å; M464-W619 PolarHBondContact O-NE1 2.78Å; R597-W619 HydrophobicContact CG-CZ3 4.23Å; M598-W619 CarbonylContact O-C 3.57Å; M598-W619 WeakPolarHBondContact O-CA 3.24Å; M598-W619 VanDerWaalsContact O-CB 3.26Å; M598-W619 WeakPolarHBondContact O-CB 3.43Å; V613-W619 HydrophobicContact CG1-CD2 4.35Å; V613-W619 HydrophobicContact CG1-CE3 4.27Å; V613-W619 HydrophobicContact CG1-CH2 4Å; V613-W619 HydrophobicContact CG1-CZ2 4.05Å; V613-W619 HydrophobicContact CG1-CZ3 4.09Å; V613-W619 HydrophobicContact CG2-CB 4.12Å; V613-W619 HydrophobicContact CG2-CD2 3.53Å; V613-W619 HydrophobicContact CG2-CE3 3.61Å; V613-W619 HydrophobicContact CG2-CG 3.77Å; V613-W619 HydrophobicContact CG2-CZ3 4.25Å; T614-W619 HydrophobicContact CG2-CZ2 4.12Å; W619-E621 HydrophobicContact CZ3-CB 3.98Å
620	I	98.8	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.2	173.8	53.7	172.6	0	0	0	110.7	L459 Y460 Y461 V481 V518 R597 M598 F600 I622	L459-I620 HydrophobicContact CD2-CD1 4.09Å; Y460-I620 CarbonylContact O-C 3.59Å; Y460-I620 WeakPolarHBondContact O-CA 3.33Å; Y461-I620 HydrophobicContact CD2-CG2 3.96Å; V481-I620 HydrophobicContact CG1-CD1 4.38Å; V481-I620 HydrophobicContact CG1-CG2 4.42Å; V481-I620 HydrophobicContact CG2-CD1 4.23Å; V518-I620 HydrophobicContact CG1-CD1 4.45Å; R597-I620 WeakPolarHBondContact CA-O 3.34Å; M598-I620 HydrophobicContact CB-CD1 4.39Å; M598-I620 HydrophobicContact CB-CG1 3.9Å; M598-I620 PolarHBondContact N-O 3.02Å; M598-I620 PolarHBondContact O-N 3.28Å; M598-I620 HydrophobicContact SD-CD1 4.42Å; F600-I620 HydrophobicContact CE2-CD1 4.49Å; F600-I620 HydrophobicContact CE2-CG1 4.23Å; F600-I620 HydrophobicContact CE2-CG2 4.12Å; F600-I620 HydrophobicContact CZ-CD1 4.24Å; F600-I620 HydrophobicContact CZ-CG1 4.46Å; I620-I622 HydrophobicContact CD1-CD1 4.16Å; I620-I622 HydrophobicContact CD1-CG1 4.17Å; I620-I622 HydrophobicContact CG1-CG1 4.49Å
621	E	98.7	Very high	96.7	Very high	21 Å²	21	24.5 Å²	24.5	10%	0.098	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.4	165.4	-165.7	160.6	59.1	0	0	108.1	L459 Y460 Y462 T595 R597 W619	L459-E621 WeakPolarHBondContact CA-O 3.33Å; Y460-E621 HydrophobicContact CD2-CB 4.42Å; Y460-E621 PolarHBondContact N-O 2.79Å; Y460-E621 PolarHBondContact O-N 3.01Å; Y462-E621 HydrophobicContact CD2-CB 4.5Å; Y462-E621 HydrophobicContact CE2-CB 3.98Å; T595-E621 HydrophobicContact CG2-CG 3.5Å; R597-E621 HydrophobicContact CG-CG 4.28Å; R597-E621 IonicContact CZ-OE2 3.16Å; R597-E621 IonicContact NE-OE2 2.7Å; R597-E621 PolarHBondContact NE-OE2 3.3Å; R597-E621 IonicContact NH2-OE2 2.77Å; R597-E621 PolarHBondContact NH2-OE2 3.02Å; W619-E621 HydrophobicContact CZ3-CB 3.98Å
622	I	98.5	Very high	96.5	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.4	-176.8	-50.6	164.6	0	0	0	106.9	C457 L459 L520 T595 I596 M598 I620 L624	C457-I622 HydrophobicContact CB-CG2 4.08Å; L459-I622 HydrophobicContact CD1-CG2 4.36Å; L459-I622 HydrophobicContact CD2-CG1 4.34Å; L459-I622 HydrophobicContact CG-CG1 4.17Å; L459-I622 HydrophobicContact CG-CG2 4.39Å; L520-I622 HydrophobicContact CD1-CD1 3.78Å; L520-I622 HydrophobicContact CD2-CD1 4.45Å; T595-I622 WeakPolarHBondContact CA-O 3.5Å; I596-I622 HydrophobicContact CB-CB 4.36Å; I596-I622 HydrophobicContact CG2-CD1 4.43Å; I596-I622 PolarHBondContact N-O 3.26Å; I596-I622 PolarHBondContact O-N 3.31Å; M598-I622 HydrophobicContact CE-CD1 4.29Å; I620-I622 HydrophobicContact CD1-CD1 4.16Å; I620-I622 HydrophobicContact CD1-CG1 4.17Å; I620-I622 HydrophobicContact CG1-CG1 4.49Å; I622-L624 HydrophobicContact CG2-CD2 4.21Å
623	H	98.2	Very high	96.1	Very high	26 Å²	26	22.3 Å²	22.3	12%	0.12	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.4	171.6	-72.4	-177.8	0	0	0	109.1	Y187 C457 S458 Y460 T595 L628	Y187-H623 PolarHBondContact OH-ND1 2.73Å; C457-H623 CarbonylContact C-O 3.54Å; C457-H623 WeakPolarHBondContact CA-O 3.39Å; C457-H623 VanDerWaalsContact CB-O 3.23Å; C457-H623 WeakPolarHBondContact CB-O 3.13Å; S458-H623 PolarHBondContact N-O 3.05Å; S458-H623 PolarHBondContact O-N 3.39Å; Y460-H623 HydrophobicContact CE2-CB 4.39Å; Y460-H623 AromaticContact CE2-CG 3.91Å; Y460-H623 AromaticContact CE2-ND1 3.63Å; T595-H623 PolarHBondContact OG1-CD2 3.48Å; T595-H623 VanDerWaalsContact OG1-CD2 3.26Å; T595-H623 PolarHBondContact OG1-NE2 2.97Å; H623-L628 HydrophobicContact CB-CD1 3.95Å
624	L	97.3	Very high	95.8	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	106.5	176.2	-59.1	-179.3	0	0	0	109.1	W456 C457 V527 F567 C594 I596 I622 G626 P627 L628	W456-L624 HydrophobicContact CE3-CD2 4.07Å; W456-L624 HydrophobicContact CZ3-CD2 3.82Å; C457-L624 HydrophobicContact CB-CD2 4.16Å; V527-L624 HydrophobicContact CG2-CD1 4.2Å; V527-L624 HydrophobicContact CG2-CD2 4.03Å; F567-L624 HydrophobicContact CB-CD1 3.78Å; F567-L624 HydrophobicContact CD1-CD1 3.65Å; F567-L624 HydrophobicContact CD2-CD1 3.38Å; F567-L624 HydrophobicContact CE1-CD1 4.02Å; F567-L624 HydrophobicContact CE2-CD1 3.77Å; F567-L624 HydrophobicContact CG-CD1 3.31Å; F567-L624 HydrophobicContact CZ-CD1 4.06Å; C594-L624 PolarHBondContact O-N 3.16Å; I596-L624 HydrophobicContact CD1-CD1 4.06Å; I622-L624 HydrophobicContact CG2-CD2 4.21Å; L624-G626 PolarHBondContact O-N 3.4Å; L624-P627 HydrophobicContact CB-CB 4.32Å; L624-P627 HydrophobicContact CB-CG 3.83Å; L624-P627 WeakPolarHBondContact O-CD 3.49Å; L624-L628 WeakPolarHBondContact O-CG 3.38Å; L624-L628 PolarHBondContact O-N 3.29Å; L624-L628 VanDerWaalsContact O-N 3.1Å
625	N	95.9	Very high	95.4	Very high	32 Å²	32	20.1 Å²	20.1	17%	0.171	10%	0.102	C	C	.	.	H	α-helix	trans	-70.5	-35	-166.3	-63.6	-18.8	0	0	0	112.1	P453 Y455 W456 S458 L628 Q629	P453-N625 HydrophobicContact CG-CB 3.73Å; Y455-N625 VanDerWaalsContact O-CB 3.29Å; Y455-N625 WeakPolarHBondContact O-CB 3.34Å; Y455-N625 PolarHBondContact O-ND2 2.98Å; W456-N625 PolarHBondContact O-N 3.32Å; S458-N625 PolarHBondContact OG-ND2 3.09Å; S458-N625 PolarHBondContact OG-OD1 2.88Å; N625-L628 PolarHBondContact O-N 3.34Å; N625-Q629 WeakPolarHBondContact O-CB 3.24Å; N625-Q629 PolarHBondContact O-N 2.99Å
626	G	93.1	Very high	95	Very high	3 Å²	3	21.8 Å²	21.8	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-54	174.9	0	0	0	0	0	112.8	L624 L628 Q629 W630	L624-G626 PolarHBondContact O-N 3.4Å; G626-L628 VanDerWaalsContact C-N 3.29Å; G626-L628 PolarHBondContact O-N 2.99Å; G626-Q629 PolarHBondContact O-N 3.21Å; G626-Q629 VanDerWaalsContact O-N 3.13Å; G626-W630 PolarHBondContact O-N 3.06Å
627	P	94.4	Very high	94.4	Very high	6 Å²	6	24 Å²	24	4%	0.039	12%	0.124	C	C	.	.	H	α-helix	trans	-54.3	-38	171.3	-31.3	37.6	0	0	0	115.4	F567 F572 C594 L624 W630 L631	F567-P627 HydrophobicContact CE1-CB 4.35Å; F567-P627 HydrophobicContact CE1-CG 3.53Å; F567-P627 HydrophobicContact CZ-CB 3.93Å; F567-P627 HydrophobicContact CZ-CG 3.6Å; F572-P627 HydrophobicContact CD1-CB 4.08Å; F572-P627 HydrophobicContact CE1-CB 3.9Å; F572-P627 HydrophobicContact CZ-CB 4.19Å; C594-P627 HydrophobicContact CB-CB 4.23Å; L624-P627 HydrophobicContact CB-CB 4.32Å; L624-P627 HydrophobicContact CB-CG 3.83Å; L624-P627 WeakPolarHBondContact O-CD 3.49Å; P627-W630 HydrophobicContact CB-CE3 4.43Å; P627-W630 HydrophobicContact CG-CE3 4.47Å; P627-W630 HydrophobicContact CG-CZ3 4.41Å; P627-L631 WeakPolarHBondContact O-CB 3.42Å; P627-L631 PolarHBondContact O-N 3.36Å; P627-L631 VanDerWaalsContact O-N 3.14Å
628	L	95.6	Very high	93.7	Very high	36 Å²	36	24.8 Å²	24.8	19%	0.188	13%	0.128	C	C	.	.	H	α-helix	trans	-67.1	-43.2	173.4	-71.4	170	0	0	0	112.3	T591 C594 H623 L624 N625 G626 W630 L631 D632	T591-L628 HydrophobicContact CG2-CD2 4.32Å; C594-L628 HydrophobicContact CB-CD2 3.57Å; C594-L628 HydrophobicContact CB-CG 3.73Å; H623-L628 HydrophobicContact CB-CD1 3.95Å; L624-L628 WeakPolarHBondContact O-CG 3.38Å; L624-L628 PolarHBondContact O-N 3.29Å; L624-L628 VanDerWaalsContact O-N 3.1Å; N625-L628 PolarHBondContact O-N 3.34Å; G626-L628 VanDerWaalsContact C-N 3.29Å; G626-L628 PolarHBondContact O-N 2.99Å; L628-W630 VanDerWaalsContact C-N 3.35Å; L628-W630 PolarHBondContact O-N 3.17Å; L628-L631 PolarHBondContact O-N 3.27Å; L628-L631 VanDerWaalsContact O-N 3.14Å; L628-D632 WeakPolarHBondContact O-CB 3.3Å; L628-D632 PolarHBondContact O-N 2.87Å
629	Q	93.3	Very high	93	Very high	59 Å²	59	26.7 Å²	26.7	28%	0.276	15%	0.147	S	C	.	.	H	α-helix	trans	-63.9	-38.2	178.6	-172.8	179.6	25.6	0	0	112.3	Q451 N625 G626 R633	Q451-Q629 PolarHBondContact O-OE1 2.75Å; N625-Q629 WeakPolarHBondContact O-CB 3.24Å; N625-Q629 PolarHBondContact O-N 2.99Å; G626-Q629 PolarHBondContact O-N 3.21Å; G626-Q629 VanDerWaalsContact O-N 3.13Å; Q629-R633 WeakPolarHBondContact O-CG 3.33Å; Q629-R633 PolarHBondContact O-N 2.82Å; Q629-R633 VanDerWaalsContact O-N 3.09Å
630	W	90.9	Very high	92.4	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.027	18%	0.176	C	C	.	.	H	α-helix	trans	-58.5	-49.2	169.1	-86.5	-34.4	0	0	0	112.5	L133 Y450 N569 F572 L576 G626 P627 L628 R633 V634	L133-W630 HydrophobicContact CD1-CH2 3.3Å; L133-W630 HydrophobicContact CD1-CZ2 3.44Å; L133-W630 VanDerWaalsContact CD1-CZ2 3.44Å; Y450-W630 VanDerWaalsContact CA-NE1 3.29Å; Y450-W630 VanDerWaalsContact CB-NE1 3.3Å; Y450-W630 HydrophobicContact CD1-CH2 4.26Å; Y450-W630 AromaticContact CD1-CZ2 3.52Å; Y450-W630 HydrophobicContact CD1-CZ2 3.52Å; Y450-W630 AromaticContact CD2-CD1 3.98Å; Y450-W630 HydrophobicContact CD2-CD2 4.02Å; Y450-W630 AromaticContact CD2-CE2 3.08Å; Y450-W630 HydrophobicContact CD2-CH2 4.04Å; Y450-W630 AromaticContact CD2-CZ2 3.13Å; Y450-W630 HydrophobicContact CD2-CZ2 3.13Å; Y450-W630 AromaticContact CD2-NE1 3.11Å; Y450-W630 HydrophobicContact CE1-CH2 4.02Å; Y450-W630 AromaticContact CE1-CZ2 3.73Å; Y450-W630 HydrophobicContact CE1-CZ2 3.73Å; Y450-W630 HydrophobicContact CE2-CD2 4.2Å; Y450-W630 AromaticContact CE2-CE2 3.56Å; Y450-W630 AromaticContact CE2-CH2 3.81Å; Y450-W630 HydrophobicContact CE2-CH2 3.81Å; Y450-W630 AromaticContact CE2-CZ2 3.37Å; Y450-W630 HydrophobicContact CE2-CZ2 3.37Å; Y450-W630 HydrophobicContact CE2-CZ3 4.44Å; Y450-W630 AromaticContact CG-CE2 3.49Å; Y450-W630 VanDerWaalsContact CG-CE2 3.49Å; Y450-W630 HydrophobicContact CG-CH2 4.25Å; Y450-W630 AromaticContact CG-CZ2 3.19Å; Y450-W630 HydrophobicContact CG-CZ2 3.19Å; Y450-W630 AromaticContact CG-NE1 3.45Å; Y450-W630 AromaticContact CZ-CH2 3.77Å; Y450-W630 AromaticContact CZ-CZ2 3.65Å; N569-W630 HydrophobicContact CB-CH2 3.92Å; N569-W630 HydrophobicContact CB-CZ3 4.19Å; F572-W630 AromaticContact CD1-CE3 3.55Å; F572-W630 HydrophobicContact CD1-CE3 3.55Å; F572-W630 AromaticContact CD1-CZ3 3.81Å; F572-W630 HydrophobicContact CD1-CZ3 3.81Å; F572-W630 HydrophobicContact CE1-CB 4.45Å; F572-W630 AromaticContact CE1-CE3 3.76Å; F572-W630 HydrophobicContact CE1-CE3 3.76Å; F572-W630 HydrophobicContact CE1-CZ3 4.46Å; L576-W630 HydrophobicContact CD2-CB 4.02Å; G626-W630 PolarHBondContact O-N 3.06Å; P627-W630 HydrophobicContact CB-CE3 4.43Å; P627-W630 HydrophobicContact CG-CE3 4.47Å; P627-W630 HydrophobicContact CG-CZ3 4.41Å; L628-W630 VanDerWaalsContact C-N 3.35Å; L628-W630 PolarHBondContact O-N 3.17Å; W630-R633 PolarHBondContact O-N 2.95Å; W630-V634 WeakPolarHBondContact O-CG2 3.37Å; W630-V634 PolarHBondContact O-N 2.86Å
631	L	93.3	Very high	91.8	Very high	4 Å²	4	33 Å²	33	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-64.5	-43.4	-174.8	-169.2	67.1	0	0	0	111.1	L576 V587 L590 T591 P627 L628 V634 L635	L576-L631 HydrophobicContact CD1-CD1 3.69Å; V587-L631 HydrophobicContact CG1-CD1 3.5Å; V587-L631 VanDerWaalsContact CG1-CD1 3.5Å; V587-L631 WeakPolarHBondContact O-CD1 3.4Å; L590-L631 HydrophobicContact CB-CD1 3.99Å; L590-L631 HydrophobicContact CB-CD2 4.45Å; T591-L631 VanDerWaalsContact CA-CD2 3.47Å; T591-L631 VanDerWaalsContact N-CD2 3.32Å; T591-L631 WeakPolarHBondContact OG1-CD2 3.31Å; P627-L631 WeakPolarHBondContact O-CB 3.42Å; P627-L631 PolarHBondContact O-N 3.36Å; P627-L631 VanDerWaalsContact O-N 3.14Å; L628-L631 PolarHBondContact O-N 3.27Å; L628-L631 VanDerWaalsContact O-N 3.14Å; L631-V634 PolarHBondContact O-N 3.37Å; L631-L635 HydrophobicContact CD2-CD1 4.5Å; L631-L635 HydrophobicContact CG-CD1 3.96Å; L631-L635 HydrophobicContact CG-CG 4.48Å; L631-L635 WeakPolarHBondContact O-CB 3.41Å; L631-L635 VanDerWaalsContact O-CG 3.28Å; L631-L635 WeakPolarHBondContact O-CG 3.4Å; L631-L635 PolarHBondContact O-N 2.74Å
632	D	92.4	Very high	91.1	Very high	77 Å²	77	39.2 Å²	39.2	41%	0.412	23%	0.226	S	C	.	.	H	α-helix	trans	-58.7	-48.8	174.2	-178.7	70.6	0	0	0	111.8	L628 V634 L635 S636	L628-D632 WeakPolarHBondContact O-CB 3.3Å; L628-D632 PolarHBondContact O-N 2.87Å; D632-V634 VanDerWaalsContact C-N 3.34Å; D632-V634 PolarHBondContact O-N 3.12Å; D632-L635 PolarHBondContact O-N 3.1Å; D632-S636 WeakPolarHBondContact O-CB 3.34Å; D632-S636 PolarHBondContact O-N 3.38Å
633	R	90.2	Very high	90.5	Very high	65 Å²	65	46.2 Å²	46.2	25%	0.245	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-43.8	175.6	-76.5	178.5	172.9	178	-1	112.5	V448 A449 Q629 W630 S636	V448-R633 HydrophobicContact CG1-CB 3.54Å; V448-R633 HydrophobicContact CG1-CG 4.39Å; A449-R633 PolarHBondContact O-NH1 2.8Å; Q629-R633 WeakPolarHBondContact O-CG 3.33Å; Q629-R633 PolarHBondContact O-N 2.82Å; Q629-R633 VanDerWaalsContact O-N 3.09Å; W630-R633 PolarHBondContact O-N 2.95Å; R633-S636 PolarHBondContact O-OG 3.34Å
634	V	90.6	Very high	89.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-49.6	177.2	171.2	0	0	0	0	111.1	I136 V138 V448 L576 V580 V587 W630 L631 D632 S636 Q637 M638	I136-V634 HydrophobicContact CG2-CG2 4.36Å; V138-V634 HydrophobicContact CG1-CG1 4.32Å; V138-V634 HydrophobicContact CG2-CB 4.29Å; V138-V634 HydrophobicContact CG2-CG1 3.97Å; V138-V634 HydrophobicContact CG2-CG2 3.93Å; V448-V634 HydrophobicContact CG1-CG2 4.34Å; L576-V634 HydrophobicContact CD1-CB 4.33Å; L576-V634 HydrophobicContact CD1-CG1 4.13Å; L576-V634 HydrophobicContact CD1-CG2 4.31Å; L576-V634 HydrophobicContact CD2-CG2 3.98Å; L576-V634 HydrophobicContact CG-CG2 4.22Å; V580-V634 HydrophobicContact CG2-CG1 3.43Å; V580-V634 VanDerWaalsContact CG2-CG1 3.43Å; V587-V634 HydrophobicContact CG1-CG1 3.98Å; W630-V634 WeakPolarHBondContact O-CG2 3.37Å; W630-V634 PolarHBondContact O-N 2.86Å; L631-V634 PolarHBondContact O-N 3.37Å; D632-V634 VanDerWaalsContact C-N 3.34Å; D632-V634 PolarHBondContact O-N 3.12Å; V634-S636 PolarHBondContact O-N 2.88Å; V634-Q637 PolarHBondContact O-N 3.26Å; V634-M638 HydrophobicContact CG1-CG 4.39Å; V634-M638 HydrophobicContact CG1-SD 3.83Å; V634-M638 WeakPolarHBondContact O-CG 3.15Å
635	L	91.3	Very high	89.5	Confident	27 Å²	27	55.7 Å²	55.7	14%	0.141	32%	0.323	C	S	.	.	H	α-helix	trans	-59.3	-34.6	179.5	-74.2	170.3	0	0	0	112.5	F584 V587 Y588 L631 D632 Q637 M638	F584-L635 HydrophobicContact CD2-CD2 4.06Å; F584-L635 HydrophobicContact CE1-CD2 4.47Å; F584-L635 HydrophobicContact CE2-CD2 3.82Å; F584-L635 HydrophobicContact CG-CD2 4.49Å; F584-L635 HydrophobicContact CZ-CD2 4.04Å; V587-L635 HydrophobicContact CB-CD2 4.04Å; V587-L635 HydrophobicContact CG1-CD2 3.66Å; V587-L635 HydrophobicContact CG1-CG 3.88Å; Y588-L635 HydrophobicContact CD2-CD1 4.1Å; L631-L635 HydrophobicContact CD2-CD1 4.5Å; L631-L635 HydrophobicContact CG-CD1 3.96Å; L631-L635 HydrophobicContact CG-CG 4.48Å; L631-L635 WeakPolarHBondContact O-CB 3.41Å; L631-L635 VanDerWaalsContact O-CG 3.28Å; L631-L635 WeakPolarHBondContact O-CG 3.4Å; L631-L635 PolarHBondContact O-N 2.74Å; D632-L635 PolarHBondContact O-N 3.1Å; L635-Q637 PolarHBondContact O-N 3.2Å; L635-Q637 VanDerWaalsContact O-N 3.1Å; L635-M638 PolarHBondContact O-N 2.91Å
636	S	88.8	Confident	89.2	Confident	77 Å²	77	58.2 Å²	58.2	54%	0.538	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.9	176.3	81.1	0	0	0	0	114.1	D632 R633 V634	D632-S636 WeakPolarHBondContact O-CB 3.34Å; D632-S636 PolarHBondContact O-N 3.38Å; R633-S636 PolarHBondContact O-OG 3.34Å; V634-S636 PolarHBondContact O-N 2.88Å
637	Q	85.8	Confident	89.1	Confident	45 Å²	45	64.1 Å²	64.1	21%	0.21	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-14.9	-176.9	-54.1	-61.9	-66.3	0	0	113.5	V138 T446 V634 L635	V138-Q637 HydrophobicContact CB-CB 4.21Å; V138-Q637 HydrophobicContact CG1-CB 3.78Å; T446-Q637 HydrophobicContact CG2-CG 4.39Å; T446-Q637 PolarHBondContact OG1-OE1 3.09Å; V634-Q637 PolarHBondContact O-N 3.26Å; L635-Q637 PolarHBondContact O-N 3.2Å; L635-Q637 VanDerWaalsContact O-N 3.1Å
638	M	83.6	Confident	88.9	Confident	20 Å²	20	70.2 Å²	70.2	10%	0.099	42%	0.418	C	S	.	.	S	Bend	trans	-89.4	0.2	-170.5	-69.5	-173.7	78	0	0	115.1	V138 V580 G583 F584 V587 V634 L635	V138-M638 HydrophobicContact CG1-CG 3.72Å; V580-M638 HydrophobicContact CG2-SD 4.37Å; V580-M638 WeakPolarHBondContact O-CE 3.1Å; G583-M638 VanDerWaalsContact C-CE 3.46Å; F584-M638 HydrophobicContact CD2-CB 4.16Å; V587-M638 HydrophobicContact CB-SD 3.91Å; V587-M638 HydrophobicContact CG1-SD 4.16Å; V587-M638 HydrophobicContact CG2-CE 3.87Å; V587-M638 HydrophobicContact CG2-SD 3.57Å; V587-M638 VanDerWaalsContact CG2-SD 3.57Å; V634-M638 HydrophobicContact CG1-CG 4.39Å; V634-M638 HydrophobicContact CG1-SD 3.83Å; V634-M638 WeakPolarHBondContact O-CG 3.15Å; L635-M638 PolarHBondContact O-N 2.91Å
639	G	83.4	Confident	88	Confident	40 Å²	40	75.7 Å²	75.7	41%	0.412	46%	0.459	S	S	.	.			trans	79.3	-140.7	-177.1	0	0	0	0	0	113.1	F584	F584-G639 WeakPolarHBondContact CD2-O 3.37Å; F584-G639 VanDerWaalsContact CE2-O 3.31Å; F584-G639 WeakPolarHBondContact CE2-O 3.19Å
640	S	85.7	Confident	87.8	Confident	91 Å²	91	76.6 Å²	76.6	64%	0.636	47%	0.469	S	S	*	.			trans	-119.9	163.7	-178.3	60.6	0	0	0	0	111.7
641	P	87.4	Confident	87.6	Confident	53 Å²	53	80.2 Å²	80.2	34%	0.344	49%	0.492	S	S	.	.			trans	-54.2	147.8	169.3	-23	32	0	0	0	112.8	F584 H643	F584-P641 HydrophobicContact CD1-CB 4.46Å; F584-P641 HydrophobicContact CD1-CG 3.69Å; F584-P641 HydrophobicContact CE1-CG 3.71Å; F584-P641 HydrophobicContact CG-CG 4.49Å; P641-H643 PolarHBondContact O-N 3.03Å
642	D	83.4	Confident	87.3	Confident	150 Å²	150	84.4 Å²	84.4	80%	0.802	52%	0.518	S	S	*	.	S	Bend	trans	-65	-24.7	178.5	-62.8	-49.1	0	0	0	113	P644	D642-P644 WeakPolarHBondContact O-CD 3.42Å
643	H	85.4	Confident	87	Confident	149 Å²	149	84.9 Å²	84.9	69%	0.69	52%	0.524	S	S	*	.	S	Bend	trans	-100.4	108.6	-178.8	-65.4	-33.9	0	0	0	111	P641 C645	P641-H643 PolarHBondContact O-N 3.03Å; H643-C645 PolarHBondContact O-N 3.32Å
644	P	85.9	Confident	86.8	Confident	119 Å²	119	86.1 Å²	86.1	77%	0.773	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-67.5	129.9	176.9	27.6	-33.8	0	0	0	110.5	D642	D642-P644 WeakPolarHBondContact O-CD 3.42Å
645	C	88.3	Confident	86.5	Confident	109 Å²	109	91.9 Å²	91.9	74%	0.736	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-73.5	136.9	173.8	-169.9	0	0	0	0	110.6	H643	H643-C645 PolarHBondContact O-N 3.32Å
646	T	89.7	Confident	86.2	Confident	86 Å²	86	96.5 Å²	96.5	53%	0.528	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-79	146.4	176.3	82.6	0	0	0	0	110.7	V648 S649	T646-V648 VanDerWaalsContact C-N 3.25Å; T646-V648 PolarHBondContact O-N 3.16Å; T646-S649 VanDerWaalsContact OG1-CB 3.25Å; T646-S649 WeakPolarHBondContact OG1-CB 3.25Å; T646-S649 PolarHBondContact OG1-N 3.49Å; T646-S649 PolarHBondContact OG1-OG 3.38Å
647	S	92.2	Very high	86	Confident	127 Å²	127	98 Å²	98	89%	0.888	61%	0.614	S	S	*	*	S	Bend	trans	-83.9	8.4	176.3	53.2	0	0	0	0	114.5
648	V	89.4	Confident	86	Confident	133 Å²	133	102.4 Å²	102.4	81%	0.806	65%	0.648	S	S	*	*			trans	-134.1	-4	-166.5	-163.3	0	0	0	0	113.2	T646	T646-V648 VanDerWaalsContact C-N 3.25Å; T646-V648 PolarHBondContact O-N 3.16Å
649	S	78	Confident	86.3	Confident	152 Å²	152	109.9 Å²	109.9	100%	1.063	70%	0.698	S	S	*	*			trans	-70.9	0	177.2	54.6	0	0	0	0	113.7	T646	T646-S649 VanDerWaalsContact OG1-CB 3.25Å; T646-S649 WeakPolarHBondContact OG1-CB 3.25Å; T646-S649 PolarHBondContact OG1-N 3.49Å; T646-S649 PolarHBondContact OG1-OG 3.38Å

Retrieved 649 of 649 residues in 99.6 ms (Link to these results)

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