A0A096MUP4_PAPAN Loading...

E3 ubiquitin-protein ligase

AlphaFold DB , UniProt , Accession A0A096MUP4, Species PAPAN (Papio anubis, Olive baboon), Gene DTX1, Length 622 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	35.1	Very low	30.6	Very low	239 Å²	239	143.1 Å²	143.1	100%	1.177	85%	0.845	S	S	*	*				0	139.3	0	-53.6	-172.1	-175.7	0	0	106.1
2	S	27.3	Very low	30.2	Very low	119 Å²	119	143.4 Å²	143.4	83%	0.832	85%	0.849	S	S	*	*			cis	-144	176.7	24.1	-68	0	0	0	0	114.2
3	R	25.9	Very low	30.7	Very low	237 Å²	237	145.8 Å²	145.8	89%	0.894	86%	0.856	S	S	*	*			trans	-68.7	178.5	171.9	-81.9	176	167.5	-176.6	-4	113.5
4	P	46	Very low	30.4	Very low	124 Å²	124	140.4 Å²	140.4	81%	0.805	85%	0.846	S	S	*	*			cis	-135.8	-175.6	-34.2	36.7	-18.8	0	0	0	113.4
5	G	26.2	Very low	31	Very low	70 Å²	70	142.9 Å²	142.9	72%	0.722	85%	0.852	S	S	*	*			trans	-136.6	159.9	168.7	0	0	0	0	0	113.2
6	H	31.2	Very low	30.7	Very low	203 Å²	203	138.4 Å²	138.4	94%	0.94	84%	0.844	S	S	*	*			trans	-86.7	163.9	-176.9	-80.3	6.4	0	0	0	114.1
7	G	27.2	Very low	30.6	Very low	81 Å²	81	140.5 Å²	140.5	84%	0.835	84%	0.84	S	S	*	*			trans	-112.6	178.3	-175.5	0	0	0	0	0	115.9
8	G	26.3	Very low	30.8	Very low	74 Å²	74	138.4 Å²	138.4	76%	0.763	83%	0.83	S	S	*	*			trans	105.1	139.7	-176.8	0	0	0	0	0	112.3
9	L	26.6	Very low	31.3	Very low	152 Å²	152	137.2 Å²	137.2	80%	0.796	83%	0.826	S	S	*	*			cis	-156.2	140.8	0.7	-98.5	170	0	0	0	111
10	M	26	Very low	32	Very low	160 Å²	160	137.4 Å²	137.4	79%	0.788	82%	0.817	S	S	*	*			trans	66	173.6	156.3	-55.9	-61.6	177.4	0	0	117.5
11	P	38.3	Very low	33	Very low	115 Å²	115	136.1 Å²	136.1	75%	0.747	81%	0.807	S	S	*	*				-132.5	150.6	-70.9	38.6	-24.2	0	0	0	114
12	V	26.4	Very low	34.6	Very low	147 Å²	147	128.7 Å²	128.7	89%	0.891	77%	0.774	S	S	*	*			trans	-135.8	134.5	170.5	-177.7	0	0	0	0	111	G14	V12-G14 PolarHBondContact O-N 2.99Å
13	N	37	Very low	36.9	Very low	175 Å²	175	124.6 Å²	124.6	94%	0.936	75%	0.748	S	S	*	*			trans	-65.3	121.7	174.5	-81.9	-30.3	0	0	0	111.2
14	G	26.6	Very low	39.9	Very low	70 Å²	70	117.1 Å²	117.1	72%	0.722	72%	0.72	S	S	*	*			trans	-131.4	127.3	170.4	0	0	0	0	0	111	V12 G16	V12-G14 PolarHBondContact O-N 2.99Å; G14-G16 PolarHBondContact O-N 3.37Å
15	L	38.9	Very low	42.1	Very low	177 Å²	177	111.2 Å²	111.2	93%	0.927	68%	0.681	S	S	*	*			trans	-75.6	70.4	-179.5	-74.9	164.3	0	0	0	111.7	F17	L15-F17 PolarHBondContact O-N 3.2Å
16	G	25.5	Very low	45.3	Very low	71 Å²	71	107.9 Å²	107.9	73%	0.732	65%	0.647	S	S	*	*			trans	-78	92.8	179.2	0	0	0	0	0	113.2	G14 P18	G14-G16 PolarHBondContact O-N 3.37Å; G16-P18 WeakPolarHBondContact O-CD 3.07Å
17	F	30.3	Very low	48.3	Very low	175 Å²	175	98.2 Å²	98.2	77%	0.768	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-68.1	123.6	161.4	-81.4	-91.3	0	0	0	109.8	L15	L15-F17 PolarHBondContact O-N 3.2Å
18	P	34.5	Very low	51.5	Low	103 Å²	103	94.4 Å²	94.4	67%	0.669	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-67.7	151.4	169.1	28.9	-33.6	0	0	0	110.7	G16	G16-P18 WeakPolarHBondContact O-CD 3.07Å
19	P	38.5	Very low	54.8	Low	115 Å²	115	90.9 Å²	90.9	75%	0.747	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-65.5	134.2	-165.9	24	-34.3	0	0	0	113.8	N21	P19-N21 PolarHBondContact O-N 3.46Å
20	Q	47.2	Very low	58	Low	140 Å²	140	86.8 Å²	86.8	65%	0.654	50%	0.501	S	S	*	.	S	Bend	trans	-79	40.2	-174.7	-61.1	-172.8	-1.2	0	0	114.6
21	N	52.9	Low	61.1	Low	112 Å²	112	81.1 Å²	81.1	60%	0.599	47%	0.473	S	S	*	.			trans	-134.2	64.9	177.7	-93.4	-38.7	0	0	0	111.5	P19 G182	P19-N21 PolarHBondContact O-N 3.46Å; N21-G182 VanDerWaalsContact OD1-CA 3.29Å; N21-G182 WeakPolarHBondContact OD1-CA 3.39Å; N21-G182 PolarHBondContact OD1-N 3.35Å
22	V	67.2	Low	63.4	Low	82 Å²	82	76.8 Å²	76.8	50%	0.497	44%	0.444	S	S	.	.			trans	-91.9	113.9	170.2	-176.9	0	0	0	0	108.6
23	A	77	Confident	65.8	Low	34 Å²	34	77 Å²	77	28%	0.281	44%	0.435	S	S	.	.			trans	-59	140.6	174.3	0	0	0	0	0	111.1	P99 T180 V181	A23-P99 HydrophobicContact CB-CG 4.2Å; A23-P99 WeakPolarHBondContact O-CD 3.47Å; A23-P99 VanDerWaalsContact O-CG 3.23Å; A23-P99 WeakPolarHBondContact O-CG 3.5Å; A23-T180 WeakPolarHBondContact CA-O 3.32Å; A23-V181 HydrophobicContact CB-CG2 4.02Å
24	R	87.5	Confident	67.8	Low	79 Å²	79	75.3 Å²	75.3	30%	0.298	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.1	178.3	-68.5	-64.9	176.1	-160.5	-5.9	111.2	F96 Y97 D98 T180 I184	R24-F96 HydrophobicContact CB-CB 4.39Å; R24-F96 HydrophobicContact CB-CD1 4.22Å; R24-Y97 VanDerWaalsContact CD-O 3.32Å; R24-Y97 WeakPolarHBondContact CD-O 3.41Å; R24-D98 IonicContact CZ-OD2 3.37Å; R24-D98 IonicContact NH1-OD2 3.81Å; R24-D98 PolarHBondContact NH1-OD2 2.92Å; R24-T180 HydrophobicContact CB-CG2 4.29Å; R24-T180 PolarHBondContact N-O 2.87Å; R24-T180 PolarHBondContact O-N 2.66Å; R24-I184 HydrophobicContact CB-CD1 4.13Å; R24-I184 HydrophobicContact CG-CD1 4.12Å
25	V	91.8	Very high	70.4	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.3	172.5	178.3	0	0	0	0	108	V27 F96 Y97 P99 P103 Y177 P178 L179	V25-V27 HydrophobicContact CG1-CG2 4.38Å; V25-F96 CarbonylContact O-C 3.27Å; V25-F96 WeakPolarHBondContact O-CA 3.31Å; V25-Y97 PolarHBondContact N-O 3.07Å; V25-Y97 PolarHBondContact O-N 3.37Å; V25-P99 HydrophobicContact CG2-CB 4.43Å; V25-P99 HydrophobicContact CG2-CG 4.47Å; V25-P103 HydrophobicContact CG1-CB 3.94Å; V25-P103 HydrophobicContact CG1-CG 4.22Å; V25-Y177 VanDerWaalsContact CG1-CB 3.43Å; V25-P178 CarbonylContact C-O 3.51Å; V25-P178 WeakPolarHBondContact CA-O 3.29Å; V25-L179 HydrophobicContact CG2-CD2 3.61Å
26	V	93.8	Very high	72.6	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.9	179.3	-167.4	0	0	0	0	109.5	E49 R94 N95 F96 P178 T180	V26-E49 HydrophobicContact CB-CG 4.4Å; V26-E49 HydrophobicContact CG1-CG 4.33Å; V26-R94 HydrophobicContact CG1-CG 3.46Å; V26-R94 VanDerWaalsContact CG1-CG 3.46Å; V26-N95 WeakPolarHBondContact CA-O 3.46Å; V26-F96 HydrophobicContact CG1-CE1 4.34Å; V26-F96 HydrophobicContact CG2-CD1 4.1Å; V26-F96 HydrophobicContact CG2-CE1 3.93Å; V26-P178 HydrophobicContact CB-CB 4.46Å; V26-P178 PolarHBondContact N-O 2.95Å; V26-P178 WeakPolarHBondContact O-CD 3.4Å; V26-T180 HydrophobicContact CG2-CG2 3.43Å; V26-T180 VanDerWaalsContact CG2-CG2 3.43Å
27	V	94.9	Very high	75.8	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.1	173.3	-177.5	0	0	0	0	107.5	V25 E29 P39 N95 Y97 P103 M123 Y177	V25-V27 HydrophobicContact CG1-CG2 4.38Å; V27-E29 HydrophobicContact CG1-CG 3.75Å; V27-P39 HydrophobicContact CG1-CB 3.79Å; V27-N95 PolarHBondContact N-O 2.85Å; V27-N95 PolarHBondContact O-N 3.48Å; V27-Y97 HydrophobicContact CB-CD2 3.9Å; V27-Y97 HydrophobicContact CB-CE2 3.9Å; V27-Y97 HydrophobicContact CG2-CD2 3.51Å; V27-Y97 HydrophobicContact CG2-CE2 3.93Å; V27-Y97 HydrophobicContact CG2-CG 4.48Å; V27-P103 HydrophobicContact CG2-CB 3.93Å; V27-P103 HydrophobicContact CG2-CG 4.28Å; V27-M123 HydrophobicContact CG1-CE 3.83Å; V27-M123 HydrophobicContact CG1-CG 4.4Å; V27-M123 HydrophobicContact CG2-CE 4.04Å; V27-M123 HydrophobicContact CG2-CG 4.3Å; V27-Y177 HydrophobicContact CB-CD1 4.25Å; V27-Y177 HydrophobicContact CG1-CD1 4.11Å; V27-Y177 HydrophobicContact CG1-CE1 3.89Å; V27-Y177 HydrophobicContact CG2-CD1 3.76Å; V27-Y177 HydrophobicContact CG2-CE1 4.25Å; V27-Y177 HydrophobicContact CG2-CG 4.02Å
28	W	94.9	Very high	78.7	Confident	1 Å²	1	65.8 Å²	65.8	0%	0.004	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.3	168.6	-78.4	85.2	0	0	0	109.2	Y40 C45 I48 E49 L52 L76 M79 V92 R93 R94	W28-Y40 HydrophobicContact CB-CD2 3.85Å; W28-Y40 HydrophobicContact CB-CE2 4.49Å; W28-Y40 WeakPolarHBondContact O-CD2 3.46Å; W28-Y40 PolarHBondContact O-N 3.44Å; W28-C45 PolarHBondContact N-SG 2.66Å; W28-I48 HydrophobicContact CB-CD1 3.92Å; W28-I48 HydrophobicContact CD2-CB 4.38Å; W28-I48 HydrophobicContact CD2-CD1 4.41Å; W28-I48 HydrophobicContact CD2-CG2 3.54Å; W28-I48 HydrophobicContact CE3-CG2 4Å; W28-I48 HydrophobicContact CG-CB 4.29Å; W28-I48 HydrophobicContact CG-CD1 4.03Å; W28-I48 HydrophobicContact CG-CG2 3.96Å; W28-I48 HydrophobicContact CH2-CG2 4.01Å; W28-I48 HydrophobicContact CZ2-CG2 3.57Å; W28-I48 HydrophobicContact CZ3-CG2 4.21Å; W28-E49 PolarHBondContact NE1-OE1 3.42Å; W28-L52 HydrophobicContact CZ2-CD1 4.4Å; W28-L52 HydrophobicContact CZ2-CD2 4.18Å; W28-L76 HydrophobicContact CH2-CD2 3.67Å; W28-L76 HydrophobicContact CZ2-CD2 4.28Å; W28-L76 HydrophobicContact CZ3-CD2 4.23Å; W28-M79 HydrophobicContact CE3-CE 4.35Å; W28-M79 HydrophobicContact CH2-CE 3.66Å; W28-M79 HydrophobicContact CH2-SD 3.72Å; W28-M79 HydrophobicContact CZ3-CE 3.39Å; W28-M79 HydrophobicContact CZ3-SD 3.78Å; W28-V92 HydrophobicContact CZ3-CG2 4.39Å; W28-R93 WeakPolarHBondContact CA-O 3.43Å; W28-R94 HydrophobicContact CD2-CB 4.15Å; W28-R94 HydrophobicContact CD2-CG 4.42Å; W28-R94 HydrophobicContact CE3-CB 4.36Å; W28-R94 HydrophobicContact CH2-CB 4.02Å; W28-R94 HydrophobicContact CZ2-CB 3.76Å; W28-R94 HydrophobicContact CZ2-CG 3.85Å; W28-R94 HydrophobicContact CZ3-CB 4.31Å
29	E	95.3	Very high	81.6	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.4	-175.8	-55.6	176.9	88.2	0	0	111.1	V27 W37 R38 P39 V92 R93 N95	V27-E29 HydrophobicContact CG1-CG 3.75Å; E29-W37 HydrophobicContact CB-CB 4.12Å; E29-W37 HydrophobicContact CB-CE3 4.11Å; E29-W37 WeakPolarHBondContact O-CZ3 3.46Å; E29-R38 CarbonylContact C-O 3.57Å; E29-R38 WeakPolarHBondContact CA-O 3.4Å; E29-P39 HydrophobicContact CG-CB 4.49Å; E29-V92 CarbonylContact O-C 3.57Å; E29-V92 VanDerWaalsContact O-CA 3.24Å; E29-V92 WeakPolarHBondContact O-CA 3.34Å; E29-R93 HydrophobicContact CB-CG 4.05Å; E29-R93 VanDerWaalsContact CD-NH2 3.35Å; E29-R93 PolarHBondContact N-O 3.21Å; E29-R93 PolarHBondContact O-N 3.19Å; E29-R93 IonicContact OE1-NH2 3.83Å; E29-R93 PolarHBondContact OE1-NH2 3.06Å; E29-R93 IonicContact OE2-CZ 3.61Å; E29-R93 IonicContact OE2-NE 2.73Å; E29-R93 PolarHBondContact OE2-NE 2.92Å; E29-R93 IonicContact OE2-NH2 3.62Å; E29-R93 PolarHBondContact OE2-NH2 3.05Å; E29-N95 VanDerWaalsContact OE2-CB 3.26Å; E29-N95 WeakPolarHBondContact OE2-CB 3.45Å; E29-N95 PolarHBondContact OE2-ND2 2.9Å
30	W	93.6	Very high	84.2	Confident	66 Å²	66	56.5 Å²	56.5	25%	0.25	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.9	175.9	60.4	-85.4	0	0	0	111.9	N32 W37 R38 Y40 V92	W30-N32 HydrophobicContact CE3-CB 4.2Å; W30-N32 HydrophobicContact CH2-CB 4.16Å; W30-N32 HydrophobicContact CZ3-CB 3.64Å; W30-W37 WeakPolarHBondContact O-CA 3.46Å; W30-R38 HydrophobicContact CD2-CB 3.93Å; W30-R38 HydrophobicContact CG-CB 4.24Å; W30-R38 HydrophobicContact CH2-CG 4.43Å; W30-R38 HydrophobicContact CZ2-CB 3.96Å; W30-R38 HydrophobicContact CZ2-CG 4.19Å; W30-R38 PolarHBondContact N-O 3.38Å; W30-R38 PolarHBondContact O-N 3.4Å; W30-Y40 HydrophobicContact CB-CE2 4.12Å; W30-Y40 AromaticContact CD1-CD1 3.83Å; W30-Y40 AromaticContact CD1-CE1 3.5Å; W30-Y40 VanDerWaalsContact CD1-CE1 3.5Å; W30-Y40 AromaticContact CD1-CE2 3.92Å; W30-Y40 AromaticContact CD1-CZ 3.55Å; W30-Y40 HydrophobicContact CG-CE1 4.23Å; W30-Y40 HydrophobicContact CG-CE2 4.42Å; W30-Y40 AromaticContact CG-CZ 3.97Å; W30-V92 HydrophobicContact CB-CG1 3.69Å
31	L	91.4	Very high	86.4	Confident	41 Å²	41	52.1 Å²	52.1	22%	0.215	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	118.6	-179.8	-170.5	66.5	0	0	0	110.9	W37 P91	L31-W37 HydrophobicContact CB-CD2 4.47Å; L31-W37 HydrophobicContact CB-CE3 4.11Å; L31-W37 HydrophobicContact CB-CH2 4.08Å; L31-W37 HydrophobicContact CB-CZ2 4.41Å; L31-W37 HydrophobicContact CB-CZ3 3.9Å; L31-W37 HydrophobicContact CD1-CD2 4.05Å; L31-W37 HydrophobicContact CD1-CG 4.38Å; L31-W37 HydrophobicContact CD1-CZ2 4.19Å; L31-P91 HydrophobicContact CB-CB 4.21Å; L31-P91 HydrophobicContact CB-CG 4.44Å; L31-P91 HydrophobicContact CD2-CB 4.42Å; L31-P91 HydrophobicContact CD2-CG 4.06Å; L31-P91 PolarHBondContact N-O 2.79Å
32	N	85.9	Confident	88.3	Confident	23 Å²	23	46.8 Å²	46.8	12%	0.123	23%	0.232	C	C	.	.			trans	-84.2	172.8	176.8	76.5	17.6	0	0	0	113	W30 H34 S35 R36 R38	W30-N32 HydrophobicContact CE3-CB 4.2Å; W30-N32 HydrophobicContact CH2-CB 4.16Å; W30-N32 HydrophobicContact CZ3-CB 3.64Å; N32-H34 PolarHBondContact O-N 3.5Å; N32-H34 WeakPolarHBondContact OD1-CA 3.42Å; N32-H34 WeakPolarHBondContact OD1-CB 3.33Å; N32-H34 PolarHBondContact OD1-N 3.13Å; N32-S35 PolarHBondContact O-N 3.36Å; N32-S35 PolarHBondContact OD1-N 2.73Å; N32-R36 PolarHBondContact N-O 3.08Å; N32-R36 PolarHBondContact OD1-N 2.7Å; N32-R36 PolarHBondContact OD1-O 2.88Å; N32-R38 HydrophobicContact CB-CG 3.83Å; N32-R38 WeakPolarHBondContact ND2-CD 3.48Å; N32-R38 WeakPolarHBondContact ND2-CG 3.3Å
33	E	77.6	Confident	89.5	Confident	152 Å²	152	45.7 Å²	45.7	71%	0.71	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.2	-179.2	-69.6	158.1	-158.4	0	0	113.7	S35 R90	E33-S35 PolarHBondContact O-N 3.45Å; E33-R90 IonicContact OE1-CZ 3.07Å; E33-R90 IonicContact OE1-NH1 3.29Å; E33-R90 IonicContact OE1-NH2 3.35Å; E33-R90 PolarHBondContact OE1-NH2 3.22Å
34	H	77.9	Confident	90.3	Very high	139 Å²	139	44 Å²	44	64%	0.644	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	16	176.5	-57.7	78	0	0	0	111.8	N32 R36	N32-H34 PolarHBondContact O-N 3.5Å; N32-H34 WeakPolarHBondContact OD1-CA 3.42Å; N32-H34 WeakPolarHBondContact OD1-CB 3.33Å; N32-H34 PolarHBondContact OD1-N 3.13Å; H34-R36 PolarHBondContact O-N 3.31Å
35	S	82.9	Confident	90.7	Very high	97 Å²	97	40.3 Å²	40.3	68%	0.678	20%	0.198	S	C	*	.	S	Bend	trans	55.5	30.8	-176.4	-62.7	0	0	0	0	114.5	N32 E33	N32-S35 PolarHBondContact O-N 3.36Å; N32-S35 PolarHBondContact OD1-N 2.73Å; E33-S35 PolarHBondContact O-N 3.45Å
36	R	84.6	Confident	90.8	Very high	91 Å²	91	43.3 Å²	43.3	34%	0.343	21%	0.212	S	C	.	.			trans	-118.2	148	175.5	-60	-157.7	-49.3	-94.1	-5.4	112.5	N32 H34 D122 F147	N32-R36 PolarHBondContact N-O 3.08Å; N32-R36 PolarHBondContact OD1-N 2.7Å; N32-R36 PolarHBondContact OD1-O 2.88Å; H34-R36 PolarHBondContact O-N 3.31Å; R36-D122 WeakPolarHBondContact CD-OD2 3.41Å; R36-D122 IonicContact CZ-OD2 2.7Å; R36-D122 IonicContact NE-OD2 2.69Å; R36-D122 PolarHBondContact NE-OD2 3.1Å; R36-D122 IonicContact NH2-OD2 3.55Å; R36-F147 VanDerWaalsContact CZ-CZ 3.44Å
37	W	91.4	Very high	90.7	Very high	68 Å²	68	44.8 Å²	44.8	26%	0.258	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.7	-179	-65.7	97.8	0	0	0	110.5	E29 W30 L31 P91 R93 D122	E29-W37 HydrophobicContact CB-CB 4.12Å; E29-W37 HydrophobicContact CB-CE3 4.11Å; E29-W37 WeakPolarHBondContact O-CZ3 3.46Å; W30-W37 WeakPolarHBondContact O-CA 3.46Å; L31-W37 HydrophobicContact CB-CD2 4.47Å; L31-W37 HydrophobicContact CB-CE3 4.11Å; L31-W37 HydrophobicContact CB-CH2 4.08Å; L31-W37 HydrophobicContact CB-CZ2 4.41Å; L31-W37 HydrophobicContact CB-CZ3 3.9Å; L31-W37 HydrophobicContact CD1-CD2 4.05Å; L31-W37 HydrophobicContact CD1-CG 4.38Å; L31-W37 HydrophobicContact CD1-CZ2 4.19Å; W37-P91 HydrophobicContact CH2-CB 3.96Å; W37-P91 HydrophobicContact CZ3-CB 4.49Å; W37-P91 WeakPolarHBondContact CZ3-O 3.46Å; W37-R93 VanDerWaalsContact CD1-CZ 3.47Å; W37-R93 HydrophobicContact CD2-CG 4.03Å; W37-R93 HydrophobicContact CE3-CB 4.37Å; W37-R93 HydrophobicContact CE3-CG 3.63Å; W37-R93 HydrophobicContact CH2-CB 4.03Å; W37-R93 HydrophobicContact CH2-CG 4.12Å; W37-R93 HydrophobicContact CZ2-CG 4.5Å; W37-R93 HydrophobicContact CZ3-CB 3.9Å; W37-R93 HydrophobicContact CZ3-CG 3.68Å; W37-D122 WeakPolarHBondContact O-CB 3.19Å
38	R	92.8	Very high	90.7	Very high	37 Å²	37	44.8 Å²	44.8	14%	0.14	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.7	-175.4	-65.5	-64	-65.2	165.6	5.1	108.5	E29 W30 N32 A120 D122	E29-R38 CarbonylContact C-O 3.57Å; E29-R38 WeakPolarHBondContact CA-O 3.4Å; W30-R38 HydrophobicContact CD2-CB 3.93Å; W30-R38 HydrophobicContact CG-CB 4.24Å; W30-R38 HydrophobicContact CH2-CG 4.43Å; W30-R38 HydrophobicContact CZ2-CB 3.96Å; W30-R38 HydrophobicContact CZ2-CG 4.19Å; W30-R38 PolarHBondContact N-O 3.38Å; W30-R38 PolarHBondContact O-N 3.4Å; N32-R38 HydrophobicContact CB-CG 3.83Å; N32-R38 WeakPolarHBondContact ND2-CD 3.48Å; N32-R38 WeakPolarHBondContact ND2-CG 3.3Å; R38-A120 VanDerWaalsContact CZ-O 3.22Å; R38-A120 PolarHBondContact NH1-O 3.44Å; R38-A120 PolarHBondContact NH2-O 3.44Å; R38-D122 WeakPolarHBondContact CD-OD1 3.47Å; R38-D122 IonicContact CZ-OD1 3.52Å; R38-D122 IonicContact NE-OD1 2.74Å; R38-D122 IonicContact NH1-OD1 3.87Å; R38-D122 PolarHBondContact NH1-OD1 3.43Å
39	P	94.1	Very high	90.6	Very high	16 Å²	16	45 Å²	45	10%	0.104	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	141.3	175.7	28.3	-34.4	0	0	0	110.2	V27 E29 M123	V27-P39 HydrophobicContact CG1-CB 3.79Å; E29-P39 HydrophobicContact CG-CB 4.49Å; P39-M123 HydrophobicContact CB-CE 3.81Å; P39-M123 HydrophobicContact CG-CE 4.11Å
40	Y	94.3	Very high	90.3	Very high	8 Å²	8	48.3 Å²	48.3	3%	0.031	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-70	165.1	155.7	-67.6	-72.4	0	0	0	109.9	W28 W30 V44 I48 L62 L69 I74 Q81 V92 Y177	W28-Y40 HydrophobicContact CB-CD2 3.85Å; W28-Y40 HydrophobicContact CB-CE2 4.49Å; W28-Y40 WeakPolarHBondContact O-CD2 3.46Å; W28-Y40 PolarHBondContact O-N 3.44Å; W30-Y40 HydrophobicContact CB-CE2 4.12Å; W30-Y40 AromaticContact CD1-CD1 3.83Å; W30-Y40 AromaticContact CD1-CE1 3.5Å; W30-Y40 VanDerWaalsContact CD1-CE1 3.5Å; W30-Y40 AromaticContact CD1-CE2 3.92Å; W30-Y40 AromaticContact CD1-CZ 3.55Å; W30-Y40 HydrophobicContact CG-CE1 4.23Å; W30-Y40 HydrophobicContact CG-CE2 4.42Å; W30-Y40 AromaticContact CG-CZ 3.97Å; Y40-V44 HydrophobicContact CD1-CG1 3.95Å; Y40-V44 HydrophobicContact CG-CG1 3.88Å; Y40-I48 HydrophobicContact CD2-CD1 4.06Å; Y40-I48 HydrophobicContact CE2-CD1 4.33Å; Y40-L62 HydrophobicContact CD1-CD1 4.45Å; Y40-L62 HydrophobicContact CE1-CD1 3.69Å; Y40-L69 HydrophobicContact CD1-CD1 4.02Å; Y40-L69 HydrophobicContact CE1-CD1 4.26Å; Y40-I74 HydrophobicContact CE2-CD1 3.78Å; Y40-Q81 PolarHBondContact OH-NE2 3.04Å; Y40-V92 HydrophobicContact CE2-CG1 3.81Å; Y40-V92 WeakPolarHBondContact OH-CG1 3.11Å; Y40-Y177 WeakPolarHBondContact O-CE1 3.48Å; Y40-Y177 PolarHBondContact O-OH 2.9Å; Y40-Y177 VanDerWaalsContact O-OH 3.04Å
41	T	92.7	Very high	90.1	Very high	48 Å²	48	46.6 Å²	46.6	29%	0.294	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-61.6	155.1	170.2	49	0	0	0	0	111.1	T43 V44 C45	T41-T43 PolarHBondContact O-N 2.91Å; T41-T43 PolarHBondContact OG1-OG1 3.29Å; T41-V44 PolarHBondContact O-N 3.4Å; T41-V44 WeakPolarHBondContact OG1-CB 3.5Å; T41-V44 VanDerWaalsContact OG1-CG2 3.27Å; T41-V44 WeakPolarHBondContact OG1-CG2 3.46Å; T41-C45 PolarHBondContact O-N 2.83Å; T41-C45 PolarHBondContact O-SG 2.68Å
42	A	92.6	Very high	89.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-28.6	-179	0	0	0	0	0	113.2	H46 L175 Y177	A42-H46 PolarHBondContact O-N 3.39Å; A42-H46 PolarHBondContact O-ND1 3.37Å; A42-L175 HydrophobicContact CB-CB 4.02Å; A42-L175 HydrophobicContact CB-CG 4.28Å; A42-L175 WeakPolarHBondContact CB-O 3.28Å; A42-Y177 HydrophobicContact CB-CD1 4.14Å; A42-Y177 HydrophobicContact CB-CD2 3.91Å; A42-Y177 HydrophobicContact CB-CE1 4.21Å; A42-Y177 HydrophobicContact CB-CE2 3.98Å; A42-Y177 HydrophobicContact CB-CG 4.02Å
43	T	92.9	Very high	89.9	Confident	58 Å²	58	52.2 Å²	52.2	36%	0.356	26%	0.257	S	S	.	.	H	α-helix	trans	-65.5	-48.1	171.8	48.4	0	0	0	0	111.8	T41 C45 H46 H47 L175	T41-T43 PolarHBondContact O-N 2.91Å; T41-T43 PolarHBondContact OG1-OG1 3.29Å; T43-C45 VanDerWaalsContact C-N 3.33Å; T43-C45 PolarHBondContact O-N 3.21Å; T43-H46 WeakPolarHBondContact O-CB 3.18Å; T43-H46 PolarHBondContact O-N 2.98Å; T43-H47 PolarHBondContact O-N 3.43Å; T43-L175 HydrophobicContact CG2-CD2 3.82Å
44	V	94.2	Very high	90.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-37.6	176.1	171	0	0	0	0	111	Y40 T41 H46 H47 I48 L62 V65 D66 L69	Y40-V44 HydrophobicContact CD1-CG1 3.95Å; Y40-V44 HydrophobicContact CG-CG1 3.88Å; T41-V44 PolarHBondContact O-N 3.4Å; T41-V44 WeakPolarHBondContact OG1-CB 3.5Å; T41-V44 VanDerWaalsContact OG1-CG2 3.27Å; T41-V44 WeakPolarHBondContact OG1-CG2 3.46Å; V44-H46 PolarHBondContact O-N 2.83Å; V44-H47 PolarHBondContact O-N 2.8Å; V44-I48 HydrophobicContact CG1-CD1 3.76Å; V44-I48 HydrophobicContact CG1-CG1 4.37Å; V44-I48 WeakPolarHBondContact O-CD1 3.15Å; V44-I48 VanDerWaalsContact O-CG1 3.26Å; V44-I48 WeakPolarHBondContact O-CG1 3.35Å; V44-I48 PolarHBondContact O-N 2.7Å; V44-L62 HydrophobicContact CG1-CD2 4.06Å; V44-V65 HydrophobicContact CG2-CB 4.49Å; V44-V65 HydrophobicContact CG2-CG1 4.2Å; V44-D66 HydrophobicContact CG2-CB 3.9Å; V44-L69 HydrophobicContact CG1-CD1 4.36Å; V44-L69 HydrophobicContact CG2-CD1 4.05Å
45	C	94.6	Very high	90.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-40.5	173.2	-66.4	0	0	0	0	112.4	W28 T41 T43 E49 Y177 P178	W28-C45 PolarHBondContact N-SG 2.66Å; T41-C45 PolarHBondContact O-N 2.83Å; T41-C45 PolarHBondContact O-SG 2.68Å; T43-C45 VanDerWaalsContact C-N 3.33Å; T43-C45 PolarHBondContact O-N 3.21Å; C45-E49 WeakPolarHBondContact O-CB 3.33Å; C45-E49 VanDerWaalsContact O-CG 3.3Å; C45-E49 WeakPolarHBondContact O-CG 3.27Å; C45-E49 PolarHBondContact O-N 3.47Å; C45-Y177 HydrophobicContact CB-CD1 4.04Å; C45-Y177 HydrophobicContact CB-CE1 4.44Å; C45-P178 HydrophobicContact CB-CG 3.95Å
46	H	93.8	Very high	90.2	Very high	63 Å²	63	48.9 Å²	48.9	29%	0.292	25%	0.245	S	C	.	.	H	α-helix	trans	-62	-42.9	173.8	-87.7	94.6	0	0	0	112.6	A42 T43 V44 E49 N50 A176 P178	A42-H46 PolarHBondContact O-N 3.39Å; A42-H46 PolarHBondContact O-ND1 3.37Å; T43-H46 WeakPolarHBondContact O-CB 3.18Å; T43-H46 PolarHBondContact O-N 2.98Å; V44-H46 PolarHBondContact O-N 2.83Å; H46-E49 PolarHBondContact O-N 2.98Å; H46-N50 WeakPolarHBondContact O-CB 3.07Å; H46-N50 VanDerWaalsContact O-CG 3.28Å; H46-N50 PolarHBondContact O-N 2.83Å; H46-A176 PolarHBondContact CE1-O 2.92Å; H46-A176 VanDerWaalsContact CE1-O 3.23Å; H46-P178 HydrophobicContact CB-CG 4.34Å
47	H	93.1	Very high	89.9	Confident	31 Å²	31	52.7 Å²	52.7	14%	0.144	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-47	177.3	176.6	61.9	0	0	0	112	T43 V44 E49 N50 V51 V60 Q64 V65	T43-H47 PolarHBondContact O-N 3.43Å; V44-H47 PolarHBondContact O-N 2.8Å; H47-E49 PolarHBondContact O-N 2.92Å; H47-N50 PolarHBondContact O-N 2.76Å; H47-V51 PolarHBondContact O-N 2.89Å; H47-V60 WeakPolarHBondContact CD2-CG1 3.45Å; H47-V60 VanDerWaalsContact NE2-CG1 3.29Å; H47-V60 WeakPolarHBondContact NE2-CG1 3.38Å; H47-Q64 PolarHBondContact CE1-OE1 3.36Å; H47-Q64 VanDerWaalsContact CE1-OE1 3.24Å; H47-V65 HydrophobicContact CB-CB 4.46Å; H47-V65 HydrophobicContact CB-CG2 3.81Å
48	I	93.4	Very high	89.4	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-43.1	175.8	-59.9	159.2	0	0	0	111	W28 Y40 V44 N50 V51 L52 V60 L62 I74 L76	W28-I48 HydrophobicContact CB-CD1 3.92Å; W28-I48 HydrophobicContact CD2-CB 4.38Å; W28-I48 HydrophobicContact CD2-CD1 4.41Å; W28-I48 HydrophobicContact CD2-CG2 3.54Å; W28-I48 HydrophobicContact CE3-CG2 4Å; W28-I48 HydrophobicContact CG-CB 4.29Å; W28-I48 HydrophobicContact CG-CD1 4.03Å; W28-I48 HydrophobicContact CG-CG2 3.96Å; W28-I48 HydrophobicContact CH2-CG2 4.01Å; W28-I48 HydrophobicContact CZ2-CG2 3.57Å; W28-I48 HydrophobicContact CZ3-CG2 4.21Å; Y40-I48 HydrophobicContact CD2-CD1 4.06Å; Y40-I48 HydrophobicContact CE2-CD1 4.33Å; V44-I48 HydrophobicContact CG1-CD1 3.76Å; V44-I48 HydrophobicContact CG1-CG1 4.37Å; V44-I48 WeakPolarHBondContact O-CD1 3.15Å; V44-I48 VanDerWaalsContact O-CG1 3.26Å; V44-I48 WeakPolarHBondContact O-CG1 3.35Å; V44-I48 PolarHBondContact O-N 2.7Å; I48-N50 VanDerWaalsContact C-N 3.31Å; I48-N50 PolarHBondContact O-N 2.86Å; I48-V51 PolarHBondContact O-N 3.05Å; I48-L52 VanDerWaalsContact O-CB 3.28Å; I48-L52 WeakPolarHBondContact O-CB 3.41Å; I48-L52 PolarHBondContact O-N 2.85Å; I48-V60 HydrophobicContact CG1-CB 4.5Å; I48-V60 HydrophobicContact CG1-CG1 3.97Å; I48-V60 HydrophobicContact CG2-CG2 4.3Å; I48-L62 HydrophobicContact CD1-CD2 4.19Å; I48-L62 HydrophobicContact CG1-CD2 4.1Å; I48-I74 HydrophobicContact CD1-CD1 3.61Å; I48-I74 HydrophobicContact CG1-CD1 4.16Å; I48-L76 HydrophobicContact CG2-CD2 4.05Å
49	E	93.1	Very high	89.2	Confident	5 Å²	5	52 Å²	52	2%	0.023	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-28.1	177.4	-77.6	-67.4	112.5	0	0	113.8	V26 W28 C45 H46 H47 K53 R94 P178	V26-E49 HydrophobicContact CB-CG 4.4Å; V26-E49 HydrophobicContact CG1-CG 4.33Å; W28-E49 PolarHBondContact NE1-OE1 3.42Å; C45-E49 WeakPolarHBondContact O-CB 3.33Å; C45-E49 VanDerWaalsContact O-CG 3.3Å; C45-E49 WeakPolarHBondContact O-CG 3.27Å; C45-E49 PolarHBondContact O-N 3.47Å; H46-E49 PolarHBondContact O-N 2.98Å; H47-E49 PolarHBondContact O-N 2.92Å; E49-K53 WeakPolarHBondContact O-CD 3.39Å; E49-K53 WeakPolarHBondContact O-CE 3.41Å; E49-K53 VanDerWaalsContact O-CG 3.25Å; E49-K53 WeakPolarHBondContact O-CG 3.4Å; E49-K53 PolarHBondContact O-N 3.49Å; E49-R94 IonicContact OE1-CZ 3.26Å; E49-R94 IonicContact OE1-NE 3.47Å; E49-R94 PolarHBondContact OE1-NE 3.09Å; E49-R94 IonicContact OE1-NH2 3.46Å; E49-R94 PolarHBondContact OE1-NH2 2.96Å; E49-R94 IonicContact OE2-CZ 3.39Å; E49-R94 IonicContact OE2-NE 2.7Å; E49-R94 IonicContact OE2-NH2 3.24Å; E49-R94 PolarHBondContact OE2-NH2 2.79Å; E49-P178 HydrophobicContact CB-CB 4.34Å; E49-P178 HydrophobicContact CB-CG 4.35Å; E49-P178 HydrophobicContact CG-CB 3.87Å; E49-P178 HydrophobicContact CG-CG 3.9Å
50	N	90.4	Very high	89	Confident	72 Å²	72	51.2 Å²	51.2	39%	0.385	27%	0.268	S	S	.	.	H	α-helix	trans	-76.4	-48.2	175.5	-72.6	-9	0	0	0	111	H46 H47 I48 L52 K53 E54	H46-N50 WeakPolarHBondContact O-CB 3.07Å; H46-N50 VanDerWaalsContact O-CG 3.28Å; H46-N50 PolarHBondContact O-N 2.83Å; H47-N50 PolarHBondContact O-N 2.76Å; I48-N50 VanDerWaalsContact C-N 3.31Å; I48-N50 PolarHBondContact O-N 2.86Å; N50-L52 VanDerWaalsContact C-N 3.25Å; N50-L52 PolarHBondContact O-N 2.8Å; N50-K53 WeakPolarHBondContact O-CB 3.29Å; N50-K53 PolarHBondContact O-N 3.1Å; N50-K53 PolarHBondContact OD1-NZ 2.72Å; N50-E54 PolarHBondContact O-N 3.26Å
51	V	88.8	Confident	88.8	Confident	29 Å²	29	53.1 Å²	53.1	18%	0.176	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-35.7	175.2	-179.4	0	0	0	0	111.4	H47 I48 K53 E54 D55 V60 L76	H47-V51 PolarHBondContact O-N 2.89Å; I48-V51 PolarHBondContact O-N 3.05Å; V51-K53 VanDerWaalsContact C-N 3.27Å; V51-K53 PolarHBondContact O-N 3.3Å; V51-E54 PolarHBondContact O-N 2.91Å; V51-D55 CarbonylContact O-C 3.55Å; V51-D55 PolarHBondContact O-N 3.06Å; V51-V60 HydrophobicContact CB-CG2 3.97Å; V51-V60 HydrophobicContact CG1-CG2 3.9Å; V51-V60 HydrophobicContact CG2-CG1 4.29Å; V51-L76 HydrophobicContact CG1-CD1 4.3Å
52	L	87.9	Confident	88.6	Confident	36 Å²	36	50.9 Å²	50.9	19%	0.188	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-30.3	174.6	-172.8	78.6	0	0	0	113.7	W28 I48 N50 L76	W28-L52 HydrophobicContact CZ2-CD1 4.4Å; W28-L52 HydrophobicContact CZ2-CD2 4.18Å; I48-L52 VanDerWaalsContact O-CB 3.28Å; I48-L52 WeakPolarHBondContact O-CB 3.41Å; I48-L52 PolarHBondContact O-N 2.85Å; N50-L52 VanDerWaalsContact C-N 3.25Å; N50-L52 PolarHBondContact O-N 2.8Å; L52-L76 HydrophobicContact CB-CD1 4.47Å; L52-L76 HydrophobicContact CD1-CD1 4.13Å; L52-L76 HydrophobicContact CD1-CD2 4.3Å
53	K	85.9	Confident	88.2	Confident	147 Å²	147	52 Å²	52	64%	0.639	28%	0.277	S	S	*	.	H	α-helix	trans	-77.5	-31.2	176.9	-66.2	159	-163.2	161.8	0	111.9	E49 N50 V51	E49-K53 WeakPolarHBondContact O-CD 3.39Å; E49-K53 WeakPolarHBondContact O-CE 3.41Å; E49-K53 VanDerWaalsContact O-CG 3.25Å; E49-K53 WeakPolarHBondContact O-CG 3.4Å; E49-K53 PolarHBondContact O-N 3.49Å; N50-K53 WeakPolarHBondContact O-CB 3.29Å; N50-K53 PolarHBondContact O-N 3.1Å; N50-K53 PolarHBondContact OD1-NZ 2.72Å; V51-K53 VanDerWaalsContact C-N 3.27Å; V51-K53 PolarHBondContact O-N 3.3Å
54	E	84.4	Confident	87.9	Confident	166 Å²	166	55.9 Å²	55.9	78%	0.776	29%	0.292	S	S	*	.	H	α-helix	trans	-84.2	-49.2	-178.5	-67.7	168.9	-173.3	0	0	111.4	N50 V51	N50-E54 PolarHBondContact O-N 3.26Å; V51-E54 PolarHBondContact O-N 2.91Å
55	D	83.1	Confident	87.6	Confident	85 Å²	85	58.9 Å²	58.9	46%	0.455	31%	0.31	S	S	.	.			trans	-138.7	99.9	173.3	-179.3	6.5	0	0	0	111.5	V51 R57 G58	V51-D55 CarbonylContact O-C 3.55Å; V51-D55 PolarHBondContact O-N 3.06Å; D55-R57 PolarHBondContact O-N 2.83Å; D55-R57 WeakPolarHBondContact OD1-CA 3.15Å; D55-R57 PolarHBondContact OD1-N 2.77Å; D55-G58 PolarHBondContact O-N 2.75Å; D55-G58 VanDerWaalsContact O-N 3.12Å; D55-G58 PolarHBondContact OD1-N 3.14Å; D55-G58 WeakPolarHBondContact OD2-CA 3.48Å; D55-G58 PolarHBondContact OD2-N 3.19Å
56	A	77.1	Confident	87.3	Confident	66 Å²	66	60.8 Å²	60.8	55%	0.545	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-2.3	176.7	0	0	0	0	0	114.9
57	R	77.3	Confident	86.8	Confident	172 Å²	172	61.9 Å²	61.9	65%	0.649	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	2.9	175.3	-62.1	-174	175.3	-170.2	-2.1	113.3	D55 Q77	D55-R57 PolarHBondContact O-N 2.83Å; D55-R57 WeakPolarHBondContact OD1-CA 3.15Å; D55-R57 PolarHBondContact OD1-N 2.77Å; R57-Q77 HydrophobicContact CB-CB 4.35Å; R57-Q77 VanDerWaalsContact CD-OE1 3.25Å
58	G	80.6	Confident	86.5	Confident	12 Å²	12	68.4 Å²	68.4	12%	0.124	37%	0.37	C	S	.	.			trans	-76.7	-173.8	-172.5	0	0	0	0	0	114.9	D55 L76	D55-G58 PolarHBondContact O-N 2.75Å; D55-G58 VanDerWaalsContact O-N 3.12Å; D55-G58 PolarHBondContact OD1-N 3.14Å; D55-G58 WeakPolarHBondContact OD2-CA 3.48Å; D55-G58 PolarHBondContact OD2-N 3.19Å; G58-L76 WeakPolarHBondContact O-CB 3.44Å; G58-L76 WeakPolarHBondContact O-CG 3.46Å; G58-L76 PolarHBondContact O-N 3.4Å
59	S	88.4	Confident	86.3	Confident	77 Å²	77	69.7 Å²	69.7	54%	0.538	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.5	177.6	62.9	0	0	0	0	112	I74	S59-I74 CarbonylContact C-O 3.57Å; S59-I74 VanDerWaalsContact CA-O 3.22Å; S59-I74 WeakPolarHBondContact CA-O 3.45Å
60	V	90	Very high	85.9	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.006	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.7	-178	-165.9	0	0	0	0	110.4	H47 I48 V51 L62 I73 I74 L76	H47-V60 WeakPolarHBondContact CD2-CG1 3.45Å; H47-V60 VanDerWaalsContact NE2-CG1 3.29Å; H47-V60 WeakPolarHBondContact NE2-CG1 3.38Å; I48-V60 HydrophobicContact CG1-CB 4.5Å; I48-V60 HydrophobicContact CG1-CG1 3.97Å; I48-V60 HydrophobicContact CG2-CG2 4.3Å; V51-V60 HydrophobicContact CB-CG2 3.97Å; V51-V60 HydrophobicContact CG1-CG2 3.9Å; V51-V60 HydrophobicContact CG2-CG1 4.29Å; V60-L62 HydrophobicContact CB-CD2 4.41Å; V60-L62 HydrophobicContact CG1-CD2 4.07Å; V60-I73 CarbonylContact O-C 3.49Å; V60-I73 VanDerWaalsContact O-CA 3.26Å; V60-I73 WeakPolarHBondContact O-CA 3.46Å; V60-I74 HydrophobicContact CB-CB 4.34Å; V60-I74 PolarHBondContact N-O 3.35Å; V60-I74 PolarHBondContact O-N 3.39Å; V60-L76 HydrophobicContact CG2-CD1 3.83Å; V60-L76 HydrophobicContact CG2-CD2 3.96Å; V60-L76 HydrophobicContact CG2-CG 3.92Å
61	V	90.1	Very high	85.7	Confident	48 Å²	48	71.3 Å²	71.3	29%	0.291	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	98.2	-179.5	-175.6	0	0	0	0	109.8	G63 Q64 I73	V61-G63 PolarHBondContact O-N 2.86Å; V61-G63 VanDerWaalsContact O-N 3.11Å; V61-Q64 HydrophobicContact CB-CG 4.26Å; V61-Q64 HydrophobicContact CG1-CG 4.41Å; V61-Q64 WeakPolarHBondContact O-CB 3.46Å; V61-Q64 WeakPolarHBondContact O-CG 3.4Å; V61-Q64 PolarHBondContact O-N 2.83Å; V61-Q64 VanDerWaalsContact O-N 3.08Å; V61-I73 HydrophobicContact CG1-CG1 4.41Å; V61-I73 HydrophobicContact CG2-CD1 4.05Å; V61-I73 HydrophobicContact CG2-CG1 4.15Å
62	L	88.3	Confident	85.7	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-63.8	-25.7	-169	-53	-172.9	0	0	0	113.2	Y40 V44 I48 V60 Q64 V65 D66 L69 Y72 I74	Y40-L62 HydrophobicContact CD1-CD1 4.45Å; Y40-L62 HydrophobicContact CE1-CD1 3.69Å; V44-L62 HydrophobicContact CG1-CD2 4.06Å; I48-L62 HydrophobicContact CD1-CD2 4.19Å; I48-L62 HydrophobicContact CG1-CD2 4.1Å; V60-L62 HydrophobicContact CB-CD2 4.41Å; V60-L62 HydrophobicContact CG1-CD2 4.07Å; L62-Q64 PolarHBondContact O-N 3.45Å; L62-Q64 VanDerWaalsContact O-N 3.13Å; L62-V65 PolarHBondContact O-N 2.69Å; L62-V65 VanDerWaalsContact O-N 3.11Å; L62-D66 PolarHBondContact O-N 3.47Å; L62-L69 HydrophobicContact CB-CB 3.61Å; L62-L69 HydrophobicContact CB-CD1 4.16Å; L62-L69 HydrophobicContact CD1-CB 4.45Å; L62-L69 HydrophobicContact CD1-CD1 4.11Å; L62-Y72 PolarHBondContact N-O 2.83Å; L62-Y72 VanDerWaalsContact N-O 3.08Å; L62-I74 HydrophobicContact CD1-CD1 4.16Å; L62-I74 HydrophobicContact CD1-CG1 4.15Å; L62-I74 HydrophobicContact CD2-CD1 3.88Å; L62-I74 HydrophobicContact CD2-CG1 4.12Å; L62-I74 HydrophobicContact CG-CG1 4.39Å
63	G	85.1	Confident	85.8	Confident	23 Å²	23	71.9 Å²	71.9	24%	0.237	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-57	-18.5	173.2	0	0	0	0	0	116.4	V61 V65 L69	V61-G63 PolarHBondContact O-N 2.86Å; V61-G63 VanDerWaalsContact O-N 3.11Å; G63-V65 PolarHBondContact O-N 3.46Å; G63-L69 PolarHBondContact N-O 2.91Å
64	Q	86.3	Confident	86.1	Confident	140 Å²	140	64.9 Å²	64.9	65%	0.654	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-70.3	-19.1	176.1	-66.2	-178.7	-8	0	0	112.9	H47 V61 L62	H47-Q64 PolarHBondContact CE1-OE1 3.36Å; H47-Q64 VanDerWaalsContact CE1-OE1 3.24Å; V61-Q64 HydrophobicContact CB-CG 4.26Å; V61-Q64 HydrophobicContact CG1-CG 4.41Å; V61-Q64 WeakPolarHBondContact O-CB 3.46Å; V61-Q64 WeakPolarHBondContact O-CG 3.4Å; V61-Q64 PolarHBondContact O-N 2.83Å; V61-Q64 VanDerWaalsContact O-N 3.08Å; L62-Q64 PolarHBondContact O-N 3.45Å; L62-Q64 VanDerWaalsContact O-N 3.13Å
65	V	88.4	Confident	86.3	Confident	63 Å²	63	58.5 Å²	58.5	38%	0.382	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-22	-171.9	179.7	0	0	0	0	113.1	V44 H47 L62 G63	V44-V65 HydrophobicContact CG2-CB 4.49Å; V44-V65 HydrophobicContact CG2-CG1 4.2Å; H47-V65 HydrophobicContact CB-CB 4.46Å; H47-V65 HydrophobicContact CB-CG2 3.81Å; L62-V65 PolarHBondContact O-N 2.69Å; L62-V65 VanDerWaalsContact O-N 3.11Å; G63-V65 PolarHBondContact O-N 3.46Å
66	D	87.1	Confident	86.5	Confident	40 Å²	40	55 Å²	55	21%	0.214	31%	0.311	C	S	.	.			trans	-136.6	117.4	172.8	-171.9	-25.3	0	0	0	110.8	V44 L62 Q68 L69 V70	V44-D66 HydrophobicContact CG2-CB 3.9Å; L62-D66 PolarHBondContact O-N 3.47Å; D66-Q68 PolarHBondContact O-N 3.47Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.47Å; D66-Q68 PolarHBondContact OD1-N 2.89Å; D66-L69 HydrophobicContact CB-CB 4.1Å; D66-L69 HydrophobicContact CB-CD1 3.94Å; D66-L69 HydrophobicContact CB-CG 3.91Å; D66-L69 WeakPolarHBondContact O-CA 3.41Å; D66-L69 PolarHBondContact O-N 2.95Å; D66-V70 PolarHBondContact O-N 3.26Å
67	A	84.4	Confident	86.9	Confident	86 Å²	86	55.8 Å²	55.8	71%	0.711	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.9	-26.3	180	0	0	0	0	0	113.3	L69 V70	A67-L69 PolarHBondContact O-N 3.18Å; A67-V70 VanDerWaalsContact O-CG2 3.3Å; A67-V70 WeakPolarHBondContact O-CG2 3.13Å
68	Q	86.3	Confident	87.2	Confident	168 Å²	168	48.7 Å²	48.7	79%	0.785	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-75.4	-17.3	174	-57.3	-166.5	-2	0	0	112.2	D66	D66-Q68 PolarHBondContact O-N 3.47Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.47Å; D66-Q68 PolarHBondContact OD1-N 2.89Å
69	L	88.6	Confident	87.7	Confident	28 Å²	28	51 Å²	51	15%	0.147	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-101.6	10.5	179.9	-55.5	-177.6	0	0	0	113.7	Y40 V44 L62 G63 D66 A67 Y72	Y40-L69 HydrophobicContact CD1-CD1 4.02Å; Y40-L69 HydrophobicContact CE1-CD1 4.26Å; V44-L69 HydrophobicContact CG1-CD1 4.36Å; V44-L69 HydrophobicContact CG2-CD1 4.05Å; L62-L69 HydrophobicContact CB-CB 3.61Å; L62-L69 HydrophobicContact CB-CD1 4.16Å; L62-L69 HydrophobicContact CD1-CB 4.45Å; L62-L69 HydrophobicContact CD1-CD1 4.11Å; G63-L69 PolarHBondContact N-O 2.91Å; D66-L69 HydrophobicContact CB-CB 4.1Å; D66-L69 HydrophobicContact CB-CD1 3.94Å; D66-L69 HydrophobicContact CB-CG 3.91Å; D66-L69 WeakPolarHBondContact O-CA 3.41Å; D66-L69 PolarHBondContact O-N 2.95Å; A67-L69 PolarHBondContact O-N 3.18Å; L69-Y72 HydrophobicContact CB-CD2 4.33Å; L69-Y72 HydrophobicContact CD2-CD2 4.14Å; L69-Y72 HydrophobicContact CD2-CE2 4.3Å; L69-Y72 WeakPolarHBondContact O-CB 3.3Å; L69-Y72 PolarHBondContact O-N 2.92Å
70	V	86.4	Confident	87.8	Confident	81 Å²	81	49.2 Å²	49.2	49%	0.491	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-49.2	177	165.6	0	0	0	0	115.2	D66 A67 Y72	D66-V70 PolarHBondContact O-N 3.26Å; A67-V70 VanDerWaalsContact O-CG2 3.3Å; A67-V70 WeakPolarHBondContact O-CG2 3.13Å; V70-Y72 PolarHBondContact O-N 3.09Å; V70-Y72 VanDerWaalsContact O-N 3.16Å
71	P	86.3	Confident	87.9	Confident	29 Å²	29	49.4 Å²	49.4	19%	0.188	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	8.3	-178.3	32	-35.7	0	0	0	113.9	R83 Q84	P71-R83 HydrophobicContact CB-CG 4.22Å; P71-R83 HydrophobicContact CG-CG 4.38Å; P71-R83 CarbonylContact O-C 3.6Å; P71-R83 VanDerWaalsContact O-CA 3.29Å; P71-R83 WeakPolarHBondContact O-CA 3.33Å; P71-Q84 PolarHBondContact O-N 3.26Å
72	Y	88.1	Confident	87.7	Confident	46 Å²	46	51.1 Å²	51.1	18%	0.18	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.6	-173.9	-60.8	-93.7	0	0	0	113.4	L62 L69 V70 Q81 F82 R83	L62-Y72 PolarHBondContact N-O 2.83Å; L62-Y72 VanDerWaalsContact N-O 3.08Å; L69-Y72 HydrophobicContact CB-CD2 4.33Å; L69-Y72 HydrophobicContact CD2-CD2 4.14Å; L69-Y72 HydrophobicContact CD2-CE2 4.3Å; L69-Y72 WeakPolarHBondContact O-CB 3.3Å; L69-Y72 PolarHBondContact O-N 2.92Å; V70-Y72 PolarHBondContact O-N 3.09Å; V70-Y72 VanDerWaalsContact O-N 3.16Å; Y72-Q81 HydrophobicContact CD1-CG 3.78Å; Y72-Q81 VanDerWaalsContact CD1-NE2 3.32Å; Y72-Q81 HydrophobicContact CG-CG 4.39Å; Y72-F82 WeakPolarHBondContact CA-O 3.37Å; Y72-R83 HydrophobicContact CD1-CB 3.86Å; Y72-R83 HydrophobicContact CD1-CG 3.67Å; Y72-R83 HydrophobicContact CD2-CG 4.42Å; Y72-R83 HydrophobicContact CE1-CB 3.89Å; Y72-R83 VanDerWaalsContact CE1-CD 3.42Å; Y72-R83 HydrophobicContact CE1-CG 3.5Å; Y72-R83 VanDerWaalsContact CE1-CG 3.5Å; Y72-R83 HydrophobicContact CE2-CG 4.27Å; Y72-R83 HydrophobicContact CG-CG 4.18Å; Y72-R83 VanDerWaalsContact CZ-CD 3.45Å; Y72-R83 WeakPolarHBondContact OH-CD 3.48Å; Y72-R83 PolarHBondContact OH-NE 2.91Å
73	I	89.8	Confident	87.7	Confident	31 Å²	31	53.7 Å²	53.7	16%	0.159	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.7	172.5	-63.4	-174.7	0	0	0	108.9	V60 V61 Q81 F82 Q84	V60-I73 CarbonylContact O-C 3.49Å; V60-I73 VanDerWaalsContact O-CA 3.26Å; V60-I73 WeakPolarHBondContact O-CA 3.46Å; V61-I73 HydrophobicContact CG1-CG1 4.41Å; V61-I73 HydrophobicContact CG2-CD1 4.05Å; V61-I73 HydrophobicContact CG2-CG1 4.15Å; I73-Q81 CarbonylContact O-C 3.49Å; I73-Q81 WeakPolarHBondContact O-CA 3.44Å; I73-F82 PolarHBondContact N-O 3.47Å; I73-F82 PolarHBondContact O-N 2.9Å; I73-Q84 HydrophobicContact CD1-CG 4.32Å; I73-Q84 VanDerWaalsContact CD1-NE2 3.32Å; I73-Q84 HydrophobicContact CG1-CG 4.46Å
74	I	92.1	Very high	87.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.9	167.7	-65.4	175.9	0	0	0	109.4	Y40 I48 S59 V60 L62 L76 H80 Q81 V92	Y40-I74 HydrophobicContact CE2-CD1 3.78Å; I48-I74 HydrophobicContact CD1-CD1 3.61Å; I48-I74 HydrophobicContact CG1-CD1 4.16Å; S59-I74 CarbonylContact C-O 3.57Å; S59-I74 VanDerWaalsContact CA-O 3.22Å; S59-I74 WeakPolarHBondContact CA-O 3.45Å; V60-I74 HydrophobicContact CB-CB 4.34Å; V60-I74 PolarHBondContact N-O 3.35Å; V60-I74 PolarHBondContact O-N 3.39Å; L62-I74 HydrophobicContact CD1-CD1 4.16Å; L62-I74 HydrophobicContact CD1-CG1 4.15Å; L62-I74 HydrophobicContact CD2-CD1 3.88Å; L62-I74 HydrophobicContact CD2-CG1 4.12Å; L62-I74 HydrophobicContact CG-CG1 4.39Å; I74-L76 HydrophobicContact CG2-CD2 3.96Å; I74-H80 WeakPolarHBondContact CA-O 3.27Å; I74-Q81 HydrophobicContact CG1-CB 4.18Å; I74-Q81 HydrophobicContact CG1-CG 4.33Å; I74-V92 HydrophobicContact CD1-CG1 4.22Å; I74-V92 HydrophobicContact CD1-CG2 4.5Å; I74-V92 HydrophobicContact CG2-CG2 3.82Å
75	D	88.8	Confident	86.5	Confident	33 Å²	33	55.9 Å²	55.9	18%	0.176	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	108.7	164.1	163	17.4	0	0	0	108.6	Q77 S78 M79 H80 R212	D75-Q77 VanDerWaalsContact C-N 3.25Å; D75-Q77 PolarHBondContact O-N 2.83Å; D75-Q77 WeakPolarHBondContact OD1-CA 3.35Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.39Å; D75-Q77 PolarHBondContact OD1-N 3.12Å; D75-S78 PolarHBondContact O-N 3.28Å; D75-S78 PolarHBondContact OD1-N 3.43Å; D75-S78 WeakPolarHBondContact OD2-CB 3.42Å; D75-S78 PolarHBondContact OD2-N 2.86Å; D75-S78 PolarHBondContact OD2-OG 3.3Å; D75-M79 WeakPolarHBondContact O-CA 3.38Å; D75-M79 PolarHBondContact O-N 3Å; D75-H80 PolarHBondContact N-O 3.39Å; D75-H80 PolarHBondContact O-N 3.45Å; D75-R212 IonicContact OD1-NH2 2.74Å; D75-R212 PolarHBondContact OD1-NH2 2.74Å; D75-R212 IonicContact OD2-CZ 2.66Å; D75-R212 IonicContact OD2-NH2 3.12Å; D75-R212 PolarHBondContact OD2-NH2 3.43Å
76	L	87.8	Confident	85.8	Confident	10 Å²	10	56.7 Å²	56.7	5%	0.052	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.3	-179.2	-61.7	173.4	0	0	0	111.9	W28 I48 V51 L52 G58 V60 I74	W28-L76 HydrophobicContact CH2-CD2 3.67Å; W28-L76 HydrophobicContact CZ2-CD2 4.28Å; W28-L76 HydrophobicContact CZ3-CD2 4.23Å; I48-L76 HydrophobicContact CG2-CD2 4.05Å; V51-L76 HydrophobicContact CG1-CD1 4.3Å; L52-L76 HydrophobicContact CB-CD1 4.47Å; L52-L76 HydrophobicContact CD1-CD1 4.13Å; L52-L76 HydrophobicContact CD1-CD2 4.3Å; G58-L76 WeakPolarHBondContact O-CB 3.44Å; G58-L76 WeakPolarHBondContact O-CG 3.46Å; G58-L76 PolarHBondContact O-N 3.4Å; V60-L76 HydrophobicContact CG2-CD1 3.83Å; V60-L76 HydrophobicContact CG2-CD2 3.96Å; V60-L76 HydrophobicContact CG2-CG 3.92Å; I74-L76 HydrophobicContact CG2-CD2 3.96Å
77	Q	84.8	Confident	85.2	Confident	83 Å²	83	56.7 Å²	56.7	39%	0.388	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-24.2	179.4	-178.5	61.6	103.9	0	0	113	R57 D75	R57-Q77 HydrophobicContact CB-CB 4.35Å; R57-Q77 VanDerWaalsContact CD-OE1 3.25Å; D75-Q77 VanDerWaalsContact C-N 3.25Å; D75-Q77 PolarHBondContact O-N 2.83Å; D75-Q77 WeakPolarHBondContact OD1-CA 3.35Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.39Å; D75-Q77 PolarHBondContact OD1-N 3.12Å
78	S	84	Confident	84.9	Confident	23 Å²	23	55.4 Å²	55.4	16%	0.161	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-13.2	167.6	67.9	0	0	0	0	114.8	D75 H80	D75-S78 PolarHBondContact O-N 3.28Å; D75-S78 PolarHBondContact OD1-N 3.43Å; D75-S78 WeakPolarHBondContact OD2-CB 3.42Å; D75-S78 PolarHBondContact OD2-N 2.86Å; D75-S78 PolarHBondContact OD2-OG 3.3Å; S78-H80 VanDerWaalsContact C-N 3.31Å; S78-H80 PolarHBondContact O-ND1 3.27Å; S78-H80 WeakPolarHBondContact OG-CB 3.25Å; S78-H80 PolarHBondContact OG-N 3.22Å
79	M	90.3	Very high	84.9	Confident	62 Å²	62	52 Å²	52	31%	0.305	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	46.5	-167.7	-62.9	-69.9	-69	0	0	112	W28 D75 V92 R94	W28-M79 HydrophobicContact CE3-CE 4.35Å; W28-M79 HydrophobicContact CH2-CE 3.66Å; W28-M79 HydrophobicContact CH2-SD 3.72Å; W28-M79 HydrophobicContact CZ3-CE 3.39Å; W28-M79 HydrophobicContact CZ3-SD 3.78Å; D75-M79 WeakPolarHBondContact O-CA 3.38Å; D75-M79 PolarHBondContact O-N 3Å; M79-V92 WeakPolarHBondContact O-CG2 3.38Å; M79-V92 PolarHBondContact O-N 2.77Å; M79-R94 HydrophobicContact CE-CB 4.24Å
80	H	91.4	Very high	84.9	Confident	39 Å²	39	52.8 Å²	52.8	18%	0.181	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.1	174	-72	65	0	0	0	112.1	I74 D75 S78 M89 R90	I74-H80 WeakPolarHBondContact CA-O 3.27Å; D75-H80 PolarHBondContact N-O 3.39Å; D75-H80 PolarHBondContact O-N 3.45Å; S78-H80 VanDerWaalsContact C-N 3.31Å; S78-H80 PolarHBondContact O-ND1 3.27Å; S78-H80 WeakPolarHBondContact OG-CB 3.25Å; S78-H80 PolarHBondContact OG-N 3.22Å; H80-M89 HydrophobicContact CB-CE 3.47Å; H80-M89 VanDerWaalsContact CB-CE 3.47Å; H80-M89 HydrophobicContact CB-SD 4.07Å; H80-R90 CarbonylContact C-O 3.54Å; H80-R90 WeakPolarHBondContact CA-O 3.32Å
81	Q	91.9	Very high	85.2	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.019	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.9	164.3	-174.5	-165.9	50.8	0	0	109.1	Y40 Y72 I73 I74 M89 R90 V92	Y40-Q81 PolarHBondContact OH-NE2 3.04Å; Y72-Q81 HydrophobicContact CD1-CG 3.78Å; Y72-Q81 VanDerWaalsContact CD1-NE2 3.32Å; Y72-Q81 HydrophobicContact CG-CG 4.39Å; I73-Q81 CarbonylContact O-C 3.49Å; I73-Q81 WeakPolarHBondContact O-CA 3.44Å; I74-Q81 HydrophobicContact CG1-CB 4.18Å; I74-Q81 HydrophobicContact CG1-CG 4.33Å; Q81-M89 CarbonylContact O-C 3.52Å; Q81-M89 WeakPolarHBondContact O-CA 3.33Å; Q81-R90 HydrophobicContact CB-CB 4.46Å; Q81-R90 PolarHBondContact N-O 3.1Å; Q81-R90 PolarHBondContact O-N 3.42Å; Q81-V92 HydrophobicContact CB-CG1 4.03Å
82	F	86.7	Confident	85.7	Confident	84 Å²	84	49.8 Å²	49.8	37%	0.368	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	140.1	169.7	179.8	-116	0	0	0	110.1	Y72 I73 Q84 M89	Y72-F82 WeakPolarHBondContact CA-O 3.37Å; I73-F82 PolarHBondContact N-O 3.47Å; I73-F82 PolarHBondContact O-N 2.9Å; F82-Q84 HydrophobicContact CD1-CG 4.18Å; F82-Q84 HydrophobicContact CE1-CB 4.38Å; F82-Q84 HydrophobicContact CE1-CG 4.12Å; F82-M89 HydrophobicContact CB-SD 3.6Å; F82-M89 VanDerWaalsContact CB-SD 3.6Å; F82-M89 HydrophobicContact CD2-CG 4.16Å; F82-M89 HydrophobicContact CD2-SD 3.68Å; F82-M89 HydrophobicContact CG-SD 4.11Å
83	R	87.6	Confident	85.9	Confident	54 Å²	54	50.9 Å²	50.9	20%	0.204	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.1	170.3	-157.4	-177.5	173.9	-95	-20.2	109.6	P71 Y72 D85 T86 G87 T88	P71-R83 HydrophobicContact CB-CG 4.22Å; P71-R83 HydrophobicContact CG-CG 4.38Å; P71-R83 CarbonylContact O-C 3.6Å; P71-R83 VanDerWaalsContact O-CA 3.29Å; P71-R83 WeakPolarHBondContact O-CA 3.33Å; Y72-R83 HydrophobicContact CD1-CB 3.86Å; Y72-R83 HydrophobicContact CD1-CG 3.67Å; Y72-R83 HydrophobicContact CD2-CG 4.42Å; Y72-R83 HydrophobicContact CE1-CB 3.89Å; Y72-R83 VanDerWaalsContact CE1-CD 3.42Å; Y72-R83 HydrophobicContact CE1-CG 3.5Å; Y72-R83 VanDerWaalsContact CE1-CG 3.5Å; Y72-R83 HydrophobicContact CE2-CG 4.27Å; Y72-R83 HydrophobicContact CG-CG 4.18Å; Y72-R83 VanDerWaalsContact CZ-CD 3.45Å; Y72-R83 WeakPolarHBondContact OH-CD 3.48Å; Y72-R83 PolarHBondContact OH-NE 2.91Å; R83-D85 WeakPolarHBondContact CG-OD1 3.49Å; R83-D85 VanDerWaalsContact CZ-CG 3.45Å; R83-D85 IonicContact CZ-OD1 2.71Å; R83-D85 IonicContact CZ-OD2 2.76Å; R83-D85 IonicContact NE-OD1 2.72Å; R83-D85 IonicContact NH1-OD1 2.69Å; R83-D85 PolarHBondContact NH1-OD1 3.1Å; R83-D85 IonicContact NH1-OD2 3.11Å; R83-D85 PolarHBondContact NH1-OD2 2.8Å; R83-D85 IonicContact NH2-OD1 3.38Å; R83-D85 PolarHBondContact NH2-OD1 3.37Å; R83-D85 IonicContact NH2-OD2 2.74Å; R83-D85 PolarHBondContact NH2-OD2 3.25Å; R83-D85 PolarHBondContact O-N 2.93Å; R83-T86 WeakPolarHBondContact CD-OG1 3.47Å; R83-T86 PolarHBondContact NH1-OG1 2.99Å; R83-G87 VanDerWaalsContact O-CA 3.25Å; R83-G87 WeakPolarHBondContact O-CA 3.34Å; R83-G87 PolarHBondContact O-N 3.5Å; R83-T88 VanDerWaalsContact CB-OG1 3.27Å; R83-T88 WeakPolarHBondContact CB-OG1 3.42Å; R83-T88 PolarHBondContact N-O 3.43Å
84	Q	77.4	Confident	86	Confident	109 Å²	109	53 Å²	53	51%	0.509	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-33.4	-165	-66.6	-178	-52.7	0	0	114.8	P71 I73 F82	P71-Q84 PolarHBondContact O-N 3.26Å; I73-Q84 HydrophobicContact CD1-CG 4.32Å; I73-Q84 VanDerWaalsContact CD1-NE2 3.32Å; I73-Q84 HydrophobicContact CG1-CG 4.46Å; F82-Q84 HydrophobicContact CD1-CG 4.18Å; F82-Q84 HydrophobicContact CE1-CB 4.38Å; F82-Q84 HydrophobicContact CE1-CG 4.12Å
85	D	67.8	Low	86.1	Confident	100 Å²	100	54.9 Å²	54.9	54%	0.535	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-33.7	-176	64.1	-35.6	0	0	0	113.4	R83	R83-D85 WeakPolarHBondContact CG-OD1 3.49Å; R83-D85 VanDerWaalsContact CZ-CG 3.45Å; R83-D85 IonicContact CZ-OD1 2.71Å; R83-D85 IonicContact CZ-OD2 2.76Å; R83-D85 IonicContact NE-OD1 2.72Å; R83-D85 IonicContact NH1-OD1 2.69Å; R83-D85 PolarHBondContact NH1-OD1 3.1Å; R83-D85 IonicContact NH1-OD2 3.11Å; R83-D85 PolarHBondContact NH1-OD2 2.8Å; R83-D85 IonicContact NH2-OD1 3.38Å; R83-D85 PolarHBondContact NH2-OD1 3.37Å; R83-D85 IonicContact NH2-OD2 2.74Å; R83-D85 PolarHBondContact NH2-OD2 3.25Å; R83-D85 PolarHBondContact O-N 2.93Å
86	T	73.8	Confident	86.2	Confident	80 Å²	80	55.7 Å²	55.7	49%	0.491	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-0.8	-179.7	52	0	0	0	0	114.5	R83 T88	R83-T86 WeakPolarHBondContact CD-OG1 3.47Å; R83-T86 PolarHBondContact NH1-OG1 2.99Å; T86-T88 PolarHBondContact O-N 3.5Å; T86-T88 PolarHBondContact OG1-OG1 2.97Å
87	G	75.7	Confident	86.4	Confident	41 Å²	41	56.2 Å²	56.2	42%	0.423	28%	0.283	S	S	.	.			trans	64.7	5	-178	0	0	0	0	0	115.2	R83 M89	R83-G87 VanDerWaalsContact O-CA 3.25Å; R83-G87 WeakPolarHBondContact O-CA 3.34Å; R83-G87 PolarHBondContact O-N 3.5Å; G87-M89 PolarHBondContact O-N 2.91Å
88	T	78.3	Confident	86.5	Confident	58 Å²	58	55.2 Å²	55.2	36%	0.356	28%	0.281	S	S	.	.			trans	-73.2	122.2	-169.9	50.5	0	0	0	0	111.3	R83 T86	R83-T88 VanDerWaalsContact CB-OG1 3.27Å; R83-T88 WeakPolarHBondContact CB-OG1 3.42Å; R83-T88 PolarHBondContact N-O 3.43Å; T86-T88 PolarHBondContact O-N 3.5Å; T86-T88 PolarHBondContact OG1-OG1 2.97Å
89	M	84.8	Confident	86.8	Confident	98 Å²	98	56.4 Å²	56.4	48%	0.483	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.9	176	-73.8	-72.1	-97.8	0	0	111.5	H80 Q81 F82 G87	H80-M89 HydrophobicContact CB-CE 3.47Å; H80-M89 VanDerWaalsContact CB-CE 3.47Å; H80-M89 HydrophobicContact CB-SD 4.07Å; Q81-M89 CarbonylContact O-C 3.52Å; Q81-M89 WeakPolarHBondContact O-CA 3.33Å; F82-M89 HydrophobicContact CB-SD 3.6Å; F82-M89 VanDerWaalsContact CB-SD 3.6Å; F82-M89 HydrophobicContact CD2-CG 4.16Å; F82-M89 HydrophobicContact CD2-SD 3.68Å; F82-M89 HydrophobicContact CG-SD 4.11Å; G87-M89 PolarHBondContact O-N 2.91Å
90	R	89.2	Confident	86.7	Confident	43 Å²	43	57.1 Å²	57.1	16%	0.162	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.3	172.4	-60	-176.2	-178	-81.1	-0.7	110	E33 H80 Q81	E33-R90 IonicContact OE1-CZ 3.07Å; E33-R90 IonicContact OE1-NH1 3.29Å; E33-R90 IonicContact OE1-NH2 3.35Å; E33-R90 PolarHBondContact OE1-NH2 3.22Å; H80-R90 CarbonylContact C-O 3.54Å; H80-R90 WeakPolarHBondContact CA-O 3.32Å; Q81-R90 HydrophobicContact CB-CB 4.46Å; Q81-R90 PolarHBondContact N-O 3.1Å; Q81-R90 PolarHBondContact O-N 3.42Å
91	P	93.6	Very high	86.7	Confident	41 Å²	41	55.7 Å²	55.7	27%	0.266	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	139.5	169.6	-26.1	34.8	0	0	0	111.9	L31 W37	L31-P91 HydrophobicContact CB-CB 4.21Å; L31-P91 HydrophobicContact CB-CG 4.44Å; L31-P91 HydrophobicContact CD2-CB 4.42Å; L31-P91 HydrophobicContact CD2-CG 4.06Å; L31-P91 PolarHBondContact N-O 2.79Å; W37-P91 HydrophobicContact CH2-CB 3.96Å; W37-P91 HydrophobicContact CZ3-CB 4.49Å; W37-P91 WeakPolarHBondContact CZ3-O 3.46Å
92	V	95.1	Very high	86.7	Confident	7 Å²	7	55.5 Å²	55.5	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	153.6	166.1	-79.2	0	0	0	0	110.5	W28 E29 W30 Y40 I74 M79 Q81	W28-V92 HydrophobicContact CZ3-CG2 4.39Å; E29-V92 CarbonylContact O-C 3.57Å; E29-V92 VanDerWaalsContact O-CA 3.24Å; E29-V92 WeakPolarHBondContact O-CA 3.34Å; W30-V92 HydrophobicContact CB-CG1 3.69Å; Y40-V92 HydrophobicContact CE2-CG1 3.81Å; Y40-V92 WeakPolarHBondContact OH-CG1 3.11Å; I74-V92 HydrophobicContact CD1-CG1 4.22Å; I74-V92 HydrophobicContact CD1-CG2 4.5Å; I74-V92 HydrophobicContact CG2-CG2 3.82Å; M79-V92 WeakPolarHBondContact O-CG2 3.38Å; M79-V92 PolarHBondContact O-N 2.77Å; Q81-V92 HydrophobicContact CB-CG1 4.03Å
93	R	93.3	Very high	87	Confident	68 Å²	68	51.5 Å²	51.5	26%	0.257	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.4	173.2	71	179.3	-172.9	-177.2	-0.4	111	W28 E29 W37 N95	W28-R93 WeakPolarHBondContact CA-O 3.43Å; E29-R93 HydrophobicContact CB-CG 4.05Å; E29-R93 VanDerWaalsContact CD-NH2 3.35Å; E29-R93 PolarHBondContact N-O 3.21Å; E29-R93 PolarHBondContact O-N 3.19Å; E29-R93 IonicContact OE1-NH2 3.83Å; E29-R93 PolarHBondContact OE1-NH2 3.06Å; E29-R93 IonicContact OE2-CZ 3.61Å; E29-R93 IonicContact OE2-NE 2.73Å; E29-R93 PolarHBondContact OE2-NE 2.92Å; E29-R93 IonicContact OE2-NH2 3.62Å; E29-R93 PolarHBondContact OE2-NH2 3.05Å; W37-R93 VanDerWaalsContact CD1-CZ 3.47Å; W37-R93 HydrophobicContact CD2-CG 4.03Å; W37-R93 HydrophobicContact CE3-CB 4.37Å; W37-R93 HydrophobicContact CE3-CG 3.63Å; W37-R93 HydrophobicContact CH2-CB 4.03Å; W37-R93 HydrophobicContact CH2-CG 4.12Å; W37-R93 HydrophobicContact CZ2-CG 4.5Å; W37-R93 HydrophobicContact CZ3-CB 3.9Å; W37-R93 HydrophobicContact CZ3-CG 3.68Å; R93-N95 HydrophobicContact CG-CB 4.37Å; R93-N95 PolarHBondContact NH2-ND2 2.87Å
94	R	92.5	Very high	87	Confident	77 Å²	77	50 Å²	50	29%	0.291	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	107.5	165.6	-172.5	-177.8	-172.4	-130.2	-2.1	107.2	V26 W28 E49 M79 F96	V26-R94 HydrophobicContact CG1-CG 3.46Å; V26-R94 VanDerWaalsContact CG1-CG 3.46Å; W28-R94 HydrophobicContact CD2-CB 4.15Å; W28-R94 HydrophobicContact CD2-CG 4.42Å; W28-R94 HydrophobicContact CE3-CB 4.36Å; W28-R94 HydrophobicContact CH2-CB 4.02Å; W28-R94 HydrophobicContact CZ2-CB 3.76Å; W28-R94 HydrophobicContact CZ2-CG 3.85Å; W28-R94 HydrophobicContact CZ3-CB 4.31Å; E49-R94 IonicContact OE1-CZ 3.26Å; E49-R94 IonicContact OE1-NE 3.47Å; E49-R94 PolarHBondContact OE1-NE 3.09Å; E49-R94 IonicContact OE1-NH2 3.46Å; E49-R94 PolarHBondContact OE1-NH2 2.96Å; E49-R94 IonicContact OE2-CZ 3.39Å; E49-R94 IonicContact OE2-NE 2.7Å; E49-R94 IonicContact OE2-NH2 3.24Å; E49-R94 PolarHBondContact OE2-NH2 2.79Å; M79-R94 HydrophobicContact CE-CB 4.24Å; R94-F96 HydrophobicContact CG-CZ 4.14Å
95	N	92.7	Very high	87.7	Confident	39 Å²	39	48.9 Å²	48.9	21%	0.209	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	154.8	-175	-163.8	16	0	0	0	111.3	V26 V27 E29 R93 Y97	V26-N95 WeakPolarHBondContact CA-O 3.46Å; V27-N95 PolarHBondContact N-O 2.85Å; V27-N95 PolarHBondContact O-N 3.48Å; E29-N95 VanDerWaalsContact OE2-CB 3.26Å; E29-N95 WeakPolarHBondContact OE2-CB 3.45Å; E29-N95 PolarHBondContact OE2-ND2 2.9Å; R93-N95 HydrophobicContact CG-CB 4.37Å; R93-N95 PolarHBondContact NH2-ND2 2.87Å; N95-Y97 HydrophobicContact CB-CE2 4.1Å; N95-Y97 WeakPolarHBondContact ND2-CE2 3.3Å; N95-Y97 PolarHBondContact ND2-OH 3.17Å
96	F	91.6	Very high	88.8	Confident	49 Å²	49	44.2 Å²	44.2	22%	0.215	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.9	-168.6	-59.6	-80.6	0	0	0	112.1	R24 V25 V26 R94 T180 I184	R24-F96 HydrophobicContact CB-CB 4.39Å; R24-F96 HydrophobicContact CB-CD1 4.22Å; V25-F96 CarbonylContact O-C 3.27Å; V25-F96 WeakPolarHBondContact O-CA 3.31Å; V26-F96 HydrophobicContact CG1-CE1 4.34Å; V26-F96 HydrophobicContact CG2-CD1 4.1Å; V26-F96 HydrophobicContact CG2-CE1 3.93Å; R94-F96 HydrophobicContact CG-CZ 4.14Å; F96-T180 HydrophobicContact CD1-CG2 4.37Å; F96-T180 HydrophobicContact CE1-CG2 4.13Å; F96-I184 HydrophobicContact CD1-CD1 3.97Å; F96-I184 HydrophobicContact CE1-CD1 3.94Å; F96-I184 HydrophobicContact CE1-CG2 4.33Å; F96-I184 HydrophobicContact CE2-CG2 4.18Å; F96-I184 HydrophobicContact CZ-CG2 3.96Å
97	Y	91.3	Very high	89.8	Confident	22 Å²	22	40.7 Å²	40.7	9%	0.086	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	168.3	-175.7	-70.5	-79.5	0	0	0	111.6	R24 V25 V27 N95 P103 M123 D124 I127	R24-Y97 VanDerWaalsContact CD-O 3.32Å; R24-Y97 WeakPolarHBondContact CD-O 3.41Å; V25-Y97 PolarHBondContact N-O 3.07Å; V25-Y97 PolarHBondContact O-N 3.37Å; V27-Y97 HydrophobicContact CB-CD2 3.9Å; V27-Y97 HydrophobicContact CB-CE2 3.9Å; V27-Y97 HydrophobicContact CG2-CD2 3.51Å; V27-Y97 HydrophobicContact CG2-CE2 3.93Å; V27-Y97 HydrophobicContact CG2-CG 4.48Å; N95-Y97 HydrophobicContact CB-CE2 4.1Å; N95-Y97 WeakPolarHBondContact ND2-CE2 3.3Å; N95-Y97 PolarHBondContact ND2-OH 3.17Å; Y97-P103 HydrophobicContact CG-CG 4.21Å; Y97-M123 HydrophobicContact CD1-CG 4.48Å; Y97-M123 HydrophobicContact CD2-CG 4.15Å; Y97-M123 HydrophobicContact CE1-CG 4.02Å; Y97-M123 HydrophobicContact CE2-CB 4.2Å; Y97-M123 HydrophobicContact CE2-CG 3.63Å; Y97-D124 VanDerWaalsContact CE1-OD1 3.23Å; Y97-D124 WeakPolarHBondContact CE1-OD1 3.22Å; Y97-D124 PolarHBondContact OH-OD1 3.26Å; Y97-I127 HydrophobicContact CD1-CD1 3.27Å; Y97-I127 HydrophobicContact CE1-CD1 3.58Å; Y97-I127 HydrophobicContact CG-CD1 4.14Å
98	D	88.1	Confident	90.7	Very high	62 Å²	62	39 Å²	39	33%	0.332	20%	0.204	S	C	.	.			trans	-82	137.3	-179.3	-161.4	-86.9	0	0	0	111.9	R24 S100 S101	R24-D98 IonicContact CZ-OD2 3.37Å; R24-D98 IonicContact NH1-OD2 3.81Å; R24-D98 PolarHBondContact NH1-OD2 2.92Å; D98-S100 PolarHBondContact O-N 3.11Å; D98-S100 VanDerWaalsContact O-N 3.15Å; D98-S100 WeakPolarHBondContact OD1-CB 3.43Å; D98-S100 PolarHBondContact OD1-N 3.39Å; D98-S100 PolarHBondContact OD1-OG 2.96Å; D98-S101 VanDerWaalsContact O-CB 3.31Å; D98-S101 WeakPolarHBondContact O-CB 3.45Å; D98-S101 PolarHBondContact O-N 2.71Å; D98-S101 PolarHBondContact O-OG 2.64Å
99	P	90.1	Very high	91.5	Very high	48 Å²	48	36.3 Å²	36.3	31%	0.312	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-29.3	175.2	-27.6	36.6	0	0	0	114.8	A23 V25 S101 L179	A23-P99 HydrophobicContact CB-CG 4.2Å; A23-P99 WeakPolarHBondContact O-CD 3.47Å; A23-P99 VanDerWaalsContact O-CG 3.23Å; A23-P99 WeakPolarHBondContact O-CG 3.5Å; V25-P99 HydrophobicContact CG2-CB 4.43Å; V25-P99 HydrophobicContact CG2-CG 4.47Å; P99-S101 VanDerWaalsContact C-N 3.29Å; P99-S101 PolarHBondContact O-N 2.91Å; P99-L179 HydrophobicContact CB-CD2 4.31Å; P99-L179 HydrophobicContact CG-CD2 4.2Å
100	S	88.1	Confident	92	Very high	76 Å²	76	32.2 Å²	32.2	53%	0.531	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-10.8	176.8	66.7	0	0	0	0	114.5	D98 K105	D98-S100 PolarHBondContact O-N 3.11Å; D98-S100 VanDerWaalsContact O-N 3.15Å; D98-S100 WeakPolarHBondContact OD1-CB 3.43Å; D98-S100 PolarHBondContact OD1-N 3.39Å; D98-S100 PolarHBondContact OD1-OG 2.96Å; S100-K105 WeakPolarHBondContact O-CD 3.26Å; S100-K105 WeakPolarHBondContact O-CE 3.31Å; S100-K105 PolarHBondContact O-NZ 3.03Å; S100-K105 VanDerWaalsContact O-NZ 3.08Å
101	S	91.8	Very high	92.2	Very high	10 Å²	10	32.4 Å²	32.4	7%	0.07	17%	0.168	C	C	.	.	S	Bend	trans	-84.7	168.9	-175.1	74.4	0	0	0	0	113.1	D98 P99 P103 G104 K105	D98-S101 VanDerWaalsContact O-CB 3.31Å; D98-S101 WeakPolarHBondContact O-CB 3.45Å; D98-S101 PolarHBondContact O-N 2.71Å; D98-S101 PolarHBondContact O-OG 2.64Å; P99-S101 VanDerWaalsContact C-N 3.29Å; P99-S101 PolarHBondContact O-N 2.91Å; S101-P103 WeakPolarHBondContact OG-CD 3.46Å; S101-G104 PolarHBondContact O-N 3.28Å; S101-K105 PolarHBondContact O-N 3.47Å
102	A	91.5	Very high	92.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-49.6	-177.5	0	0	0	0	0	115.4	G104 K105 G106 I107 I127 Q130	A102-G104 PolarHBondContact O-N 3.37Å; A102-K105 CarbonylContact O-C 3.59Å; A102-K105 PolarHBondContact O-N 3.14Å; A102-G106 PolarHBondContact O-N 3.3Å; A102-I107 HydrophobicContact CB-CB 4.33Å; A102-I107 PolarHBondContact O-N 3.47Å; A102-I127 HydrophobicContact CB-CG1 4Å; A102-Q130 HydrophobicContact CB-CB 3.95Å; A102-Q130 HydrophobicContact CB-CG 4.24Å
103	P	92.4	Very high	91.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-31.7	178.2	25.9	-35.6	0	0	0	113.9	V25 V27 Y97 S101 G106 M123 I127 Y177	V25-P103 HydrophobicContact CG1-CB 3.94Å; V25-P103 HydrophobicContact CG1-CG 4.22Å; V27-P103 HydrophobicContact CG2-CB 3.93Å; V27-P103 HydrophobicContact CG2-CG 4.28Å; Y97-P103 HydrophobicContact CG-CG 4.21Å; S101-P103 WeakPolarHBondContact OG-CD 3.46Å; P103-G106 PolarHBondContact O-N 3.29Å; P103-M123 HydrophobicContact CB-CE 3.93Å; P103-M123 HydrophobicContact CB-SD 3.74Å; P103-M123 HydrophobicContact CG-CE 4.47Å; P103-M123 HydrophobicContact CG-CG 4.32Å; P103-M123 HydrophobicContact CG-SD 3.67Å; P103-I127 HydrophobicContact CG-CD1 4.25Å; P103-Y177 HydrophobicContact CB-CD2 3.5Å; P103-Y177 VanDerWaalsContact CB-CD2 3.5Å; P103-Y177 HydrophobicContact CB-CE2 4.08Å; P103-Y177 HydrophobicContact CB-CG 3.91Å; P103-Y177 WeakPolarHBondContact O-CD2 3.28Å; P103-Y177 PolarHBondContact O-N 3Å
104	G	89.2	Confident	91.2	Very high	21 Å²	21	35 Å²	35	22%	0.216	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-33.6	174.2	0	0	0	0	0	112.8	S101 A102 G106	S101-G104 PolarHBondContact O-N 3.28Å; A102-G104 PolarHBondContact O-N 3.37Å; G104-G106 VanDerWaalsContact C-N 3.28Å; G104-G106 PolarHBondContact O-N 3.34Å
105	K	91.3	Very high	90.6	Very high	86 Å²	86	34.8 Å²	34.8	37%	0.374	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-0.7	173.1	-68.3	168.9	168.5	161.9	0	114.1	S100 S101 A102 I107 E134	S100-K105 WeakPolarHBondContact O-CD 3.26Å; S100-K105 WeakPolarHBondContact O-CE 3.31Å; S100-K105 PolarHBondContact O-NZ 3.03Å; S100-K105 VanDerWaalsContact O-NZ 3.08Å; S101-K105 PolarHBondContact O-N 3.47Å; A102-K105 CarbonylContact O-C 3.59Å; A102-K105 PolarHBondContact O-N 3.14Å; K105-I107 VanDerWaalsContact C-N 3.27Å; K105-I107 HydrophobicContact CB-CD1 3.57Å; K105-I107 HydrophobicContact CB-CG1 3.81Å; K105-I107 HydrophobicContact CD-CD1 3.85Å; K105-I107 HydrophobicContact CG-CD1 4.33Å; K105-I107 PolarHBondContact O-N 3.27Å; K105-E134 IonicContact NZ-OE1 3.42Å; K105-E134 PolarHBondContact NZ-OE1 3.1Å; K105-E134 IonicContact NZ-OE2 2.65Å; K105-E134 PolarHBondContact NZ-OE2 3.36Å
106	G	91.2	Very high	90.2	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.021	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	26	-173.5	0	0	0	0	0	114.3	A102 P103 G104 D174	A102-G106 PolarHBondContact O-N 3.3Å; P103-G106 PolarHBondContact O-N 3.29Å; G104-G106 VanDerWaalsContact C-N 3.28Å; G104-G106 PolarHBondContact O-N 3.34Å; G106-D174 PolarHBondContact O-N 2.65Å
107	I	93.9	Very high	90	Very high	7 Å²	7	35 Å²	35	4%	0.036	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.8	-176.5	-58.9	167.1	0	0	0	110	A102 K105 Q130 R171 L173	A102-I107 HydrophobicContact CB-CB 4.33Å; A102-I107 PolarHBondContact O-N 3.47Å; K105-I107 VanDerWaalsContact C-N 3.27Å; K105-I107 HydrophobicContact CB-CD1 3.57Å; K105-I107 HydrophobicContact CB-CG1 3.81Å; K105-I107 HydrophobicContact CD-CD1 3.85Å; K105-I107 HydrophobicContact CG-CD1 4.33Å; K105-I107 PolarHBondContact O-N 3.27Å; I107-Q130 HydrophobicContact CD1-CG 4.07Å; I107-Q130 HydrophobicContact CG2-CG 4.42Å; I107-R171 VanDerWaalsContact CD1-NH2 3.29Å; I107-R171 HydrophobicContact CG2-CG 3.82Å; I107-L173 HydrophobicContact CG1-CD2 3.93Å
108	V	94.4	Very high	90	Very high	6 Å²	6	37.7 Å²	37.7	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.4	175.2	-168.8	0	0	0	0	109.2	E110 A120 R172 D174	V108-E110 HydrophobicContact CB-CG 4.43Å; V108-E110 HydrophobicContact CG1-CG 3.69Å; V108-A120 HydrophobicContact CG1-CB 3.98Å; V108-R172 PolarHBondContact N-O 3.47Å; V108-R172 PolarHBondContact O-N 3.33Å; V108-D174 HydrophobicContact CG2-CB 3.82Å
109	W	95	Very high	90.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.1	169.3	-76.8	90.4	0	0	0	109.6	A120 Y121 I129 Y133 F153 M156 L169 R171	W109-A120 WeakPolarHBondContact O-CA 3.46Å; W109-Y121 HydrophobicContact CB-CD2 4.09Å; W109-Y121 WeakPolarHBondContact O-CD2 3.24Å; W109-Y121 PolarHBondContact O-N 2.87Å; W109-I129 HydrophobicContact CB-CD1 4.16Å; W109-I129 HydrophobicContact CD2-CB 4.22Å; W109-I129 HydrophobicContact CD2-CG2 3.38Å; W109-I129 HydrophobicContact CE3-CG2 3.64Å; W109-I129 HydrophobicContact CG-CB 4.12Å; W109-I129 HydrophobicContact CG-CG2 3.8Å; W109-I129 HydrophobicContact CH2-CG2 4.04Å; W109-I129 HydrophobicContact CZ2-CG2 3.83Å; W109-I129 HydrophobicContact CZ3-CG2 3.95Å; W109-Y133 AromaticContact CH2-CD2 3.8Å; W109-Y133 HydrophobicContact CH2-CD2 3.8Å; W109-Y133 HydrophobicContact CH2-CE2 4.25Å; W109-Y133 AromaticContact CH2-CG 3.96Å; W109-Y133 HydrophobicContact CH2-CG 3.96Å; W109-Y133 HydrophobicContact CZ2-CD1 4.11Å; W109-Y133 HydrophobicContact CZ2-CD2 4.07Å; W109-Y133 AromaticContact CZ2-CG 3.72Å; W109-Y133 HydrophobicContact CZ2-CG 3.72Å; W109-F153 AromaticContact CH2-CD1 3.98Å; W109-F153 HydrophobicContact CH2-CD1 3.98Å; W109-F153 AromaticContact CH2-CE1 3.87Å; W109-F153 HydrophobicContact CH2-CE1 3.87Å; W109-F153 HydrophobicContact CZ2-CE1 4.34Å; W109-F153 HydrophobicContact CZ3-CD1 4.47Å; W109-F153 HydrophobicContact CZ3-CE1 4.34Å; W109-M156 HydrophobicContact CH2-CE 4.22Å; W109-M156 HydrophobicContact CH2-SD 4.46Å; W109-M156 HydrophobicContact CZ3-CE 3.73Å; W109-M156 HydrophobicContact CZ3-SD 4.27Å; W109-L169 HydrophobicContact CE3-CD1 4.08Å; W109-L169 HydrophobicContact CE3-CD2 4Å; W109-L169 HydrophobicContact CE3-CG 3.9Å; W109-L169 HydrophobicContact CZ3-CD2 3.68Å; W109-L169 HydrophobicContact CZ3-CG 3.91Å; W109-R171 HydrophobicContact CD2-CB 4.02Å; W109-R171 HydrophobicContact CD2-CG 4.31Å; W109-R171 HydrophobicContact CE3-CB 3.95Å; W109-R171 HydrophobicContact CH2-CB 3.78Å; W109-R171 HydrophobicContact CH2-CG 4.34Å; W109-R171 HydrophobicContact CZ2-CB 3.79Å; W109-R171 HydrophobicContact CZ2-CG 3.85Å; W109-R171 HydrophobicContact CZ3-CB 3.85Å
110	E	95.1	Very high	90.2	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.056	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.8	-171	-52.1	178.4	146.5	0	0	110.2	V108 W118 T119 A120 R170 R172	V108-E110 HydrophobicContact CB-CG 4.43Å; V108-E110 HydrophobicContact CG1-CG 3.69Å; E110-W118 HydrophobicContact CB-CE3 4.14Å; E110-T119 CarbonylContact C-O 3.51Å; E110-T119 WeakPolarHBondContact CA-O 3.29Å; E110-A120 HydrophobicContact CG-CB 4.32Å; E110-R170 HydrophobicContact CB-CG 4.03Å; E110-R170 PolarHBondContact N-O 2.66Å; E110-R170 PolarHBondContact O-N 2.74Å; E110-R170 IonicContact OE2-CZ 2.82Å; E110-R170 IonicContact OE2-NE 3.2Å; E110-R170 PolarHBondContact OE2-NE 2.67Å; E110-R170 IonicContact OE2-NH2 2.74Å; E110-R170 PolarHBondContact OE2-NH2 2.91Å; E110-R172 VanDerWaalsContact CD-NE 3.34Å; E110-R172 IonicContact OE1-CZ 2.99Å; E110-R172 VanDerWaalsContact OE1-CZ 3.32Å; E110-R172 IonicContact OE1-NE 3.76Å; E110-R172 PolarHBondContact OE1-NE 3.22Å; E110-R172 IonicContact OE1-NH2 2.74Å; E110-R172 PolarHBondContact OE1-NH2 2.81Å; E110-R172 IonicContact OE2-CZ 2.76Å; E110-R172 IonicContact OE2-NE 2.86Å; E110-R172 PolarHBondContact OE2-NE 2.74Å
111	W	94.1	Very high	90.4	Very high	48 Å²	48	31.5 Å²	31.5	18%	0.182	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.9	174.6	60.4	-82.2	0	0	0	110.5	N113 T119 Y121 R167 R168	W111-N113 HydrophobicContact CE3-CB 4.33Å; W111-N113 HydrophobicContact CH2-CB 4.08Å; W111-N113 HydrophobicContact CZ3-CB 3.63Å; W111-T119 HydrophobicContact CH2-CG2 4.48Å; W111-T119 HydrophobicContact CZ2-CG2 3.65Å; W111-T119 PolarHBondContact N-O 3.43Å; W111-T119 PolarHBondContact NE1-O 2.96Å; W111-T119 PolarHBondContact O-N 3.12Å; W111-Y121 HydrophobicContact CB-CE2 3.91Å; W111-Y121 AromaticContact CD1-CD2 3.91Å; W111-Y121 AromaticContact CD1-CE1 3.92Å; W111-Y121 AromaticContact CD1-CE2 3.61Å; W111-Y121 AromaticContact CD1-CZ 3.64Å; W111-Y121 HydrophobicContact CG-CE2 4.13Å; W111-R167 VanDerWaalsContact CZ3-NH1 3.26Å; W111-R168 WeakPolarHBondContact CA-O 3.44Å
112	E	94.1	Very high	90.4	Very high	28 Å²	28	31.7 Å²	31.7	13%	0.131	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.7	178.6	-176.2	179.9	-132.1	0	0	110.8	W118 R167 R168	E112-W118 HydrophobicContact CB-CD2 4.16Å; E112-W118 HydrophobicContact CB-CE3 4.06Å; E112-W118 HydrophobicContact CB-CH2 3.97Å; E112-W118 HydrophobicContact CB-CZ2 4.01Å; E112-W118 HydrophobicContact CB-CZ3 3.96Å; E112-W118 HydrophobicContact CG-CZ2 4.47Å; E112-R167 VanDerWaalsContact O-CD 3.3Å; E112-R167 WeakPolarHBondContact O-CD 3.12Å; E112-R168 HydrophobicContact CB-CB 4.1Å; E112-R168 PolarHBondContact N-O 3.48Å; E112-R168 IonicContact OE1-CZ 3.32Å; E112-R168 IonicContact OE1-NE 3.72Å; E112-R168 PolarHBondContact OE1-NE 2.73Å; E112-R168 IonicContact OE1-NH2 2.99Å; E112-R168 PolarHBondContact OE1-NH2 2.97Å; E112-R168 WeakPolarHBondContact OE2-CG 3.31Å; E112-R168 IonicContact OE2-CZ 2.98Å; E112-R168 IonicContact OE2-NE 2.83Å; E112-R168 PolarHBondContact OE2-NE 3.1Å; E112-R168 IonicContact OE2-NH2 2.82Å; E112-R168 PolarHBondContact OE2-NH2 3.34Å
113	N	88.3	Confident	90.4	Very high	49 Å²	49	31.9 Å²	31.9	26%	0.262	20%	0.198	S	C	.	.			trans	-87.8	175	176.8	75.4	36.3	0	0	0	112.7	W111 G115 G116 A117 T119	W111-N113 HydrophobicContact CE3-CB 4.33Å; W111-N113 HydrophobicContact CH2-CB 4.08Å; W111-N113 HydrophobicContact CZ3-CB 3.63Å; N113-G115 PolarHBondContact O-N 3.33Å; N113-G115 VanDerWaalsContact O-N 3.1Å; N113-G115 PolarHBondContact OD1-N 3.32Å; N113-G116 PolarHBondContact O-N 3.45Å; N113-A117 PolarHBondContact N-O 2.78Å; N113-A117 PolarHBondContact ND2-O 3.08Å; N113-A117 PolarHBondContact OD1-N 3.11Å; N113-A117 PolarHBondContact OD1-O 3.18Å; N113-T119 PolarHBondContact ND2-OG1 3.34Å
114	D	79.6	Confident	90.3	Very high	94 Å²	94	35.9 Å²	35.9	50%	0.503	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-9.6	-170.3	-59.7	-15.2	0	0	0	114	R165 R167	D114-R165 VanDerWaalsContact CG-CZ 3.5Å; D114-R165 VanDerWaalsContact CG-NH1 3.26Å; D114-R165 IonicContact OD1-CZ 3.26Å; D114-R165 VanDerWaalsContact OD1-CZ 3.24Å; D114-R165 IonicContact OD1-NH1 2.74Å; D114-R165 PolarHBondContact OD1-NH1 3.49Å; D114-R165 IonicContact OD1-NH2 2.66Å; D114-R165 PolarHBondContact OD1-NH2 3.46Å; D114-R165 IonicContact OD2-CZ 3.55Å; D114-R165 IonicContact OD2-NH1 2.85Å; D114-R165 PolarHBondContact OD2-NH1 3.28Å; D114-R165 IonicContact OD2-NH2 3.98Å; D114-R165 PolarHBondContact OD2-NH2 2.56Å; D114-R167 IonicContact OD1-CZ 2.73Å; D114-R167 IonicContact OD1-NE 2.78Å; D114-R167 PolarHBondContact OD1-NE 2.87Å; D114-R167 IonicContact OD1-NH2 2.91Å; D114-R167 PolarHBondContact OD1-NH2 3.34Å; D114-R167 IonicContact OD2-NH2 3.65Å; D114-R167 PolarHBondContact OD2-NH2 3.31Å
115	G	78	Confident	90.5	Very high	71 Å²	71	35.2 Å²	35.2	73%	0.732	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	14.1	169.7	0	0	0	0	0	113.9	N113 A117	N113-G115 PolarHBondContact O-N 3.33Å; N113-G115 VanDerWaalsContact O-N 3.1Å; N113-G115 PolarHBondContact OD1-N 3.32Å; G115-A117 PolarHBondContact O-N 3.29Å
116	G	84.7	Confident	90.6	Very high	39 Å²	39	31.2 Å²	31.2	40%	0.402	19%	0.194	S	C	.	.	S	Bend	trans	75.9	0.2	-179.3	0	0	0	0	0	115.1	N113	N113-G116 PolarHBondContact O-N 3.45Å
117	A	88.5	Confident	90.7	Very high	53 Å²	53	32.2 Å²	32.2	44%	0.438	20%	0.199	S	C	.	.			trans	-85.3	141.9	179.4	0	0	0	0	0	111.6	N113 G115	N113-A117 PolarHBondContact N-O 2.78Å; N113-A117 PolarHBondContact ND2-O 3.08Å; N113-A117 PolarHBondContact OD1-N 3.11Å; N113-A117 PolarHBondContact OD1-O 3.18Å; G115-A117 PolarHBondContact O-N 3.29Å
118	W	90.6	Very high	90.6	Very high	79 Å²	79	34.2 Å²	34.2	30%	0.299	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.8	-175.7	-70.5	85.8	0	0	0	111.7	E110 E112 R168 R170	E110-W118 HydrophobicContact CB-CE3 4.14Å; E112-W118 HydrophobicContact CB-CD2 4.16Å; E112-W118 HydrophobicContact CB-CE3 4.06Å; E112-W118 HydrophobicContact CB-CH2 3.97Å; E112-W118 HydrophobicContact CB-CZ2 4.01Å; E112-W118 HydrophobicContact CB-CZ3 3.96Å; E112-W118 HydrophobicContact CG-CZ2 4.47Å; W118-R168 HydrophobicContact CH2-CB 3.67Å; W118-R168 HydrophobicContact CZ2-CB 4.3Å; W118-R168 HydrophobicContact CZ3-CB 4.43Å; W118-R170 HydrophobicContact CD2-CG 4.19Å; W118-R170 HydrophobicContact CE3-CB 4.34Å; W118-R170 HydrophobicContact CE3-CG 3.56Å; W118-R170 HydrophobicContact CH2-CB 3.97Å; W118-R170 HydrophobicContact CH2-CG 4.05Å; W118-R170 HydrophobicContact CZ3-CB 3.75Å; W118-R170 HydrophobicContact CZ3-CG 3.49Å; W118-R170 VanDerWaalsContact CZ3-CG 3.49Å
119	T	90.3	Very high	90.6	Very high	31 Å²	31	33.9 Å²	33.9	19%	0.19	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.5	-172.2	-54	0	0	0	0	108.9	E110 W111 N113	E110-T119 CarbonylContact C-O 3.51Å; E110-T119 WeakPolarHBondContact CA-O 3.29Å; W111-T119 HydrophobicContact CH2-CG2 4.48Å; W111-T119 HydrophobicContact CZ2-CG2 3.65Å; W111-T119 PolarHBondContact N-O 3.43Å; W111-T119 PolarHBondContact NE1-O 2.96Å; W111-T119 PolarHBondContact O-N 3.12Å; N113-T119 PolarHBondContact ND2-OG1 3.34Å
120	A	91.7	Very high	90.6	Very high	21 Å²	21	34 Å²	34	17%	0.174	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	156.8	176.2	0	0	0	0	0	112.3	R38 V108 W109 E110	R38-A120 VanDerWaalsContact CZ-O 3.22Å; R38-A120 PolarHBondContact NH1-O 3.44Å; R38-A120 PolarHBondContact NH2-O 3.44Å; V108-A120 HydrophobicContact CG1-CB 3.98Å; W109-A120 WeakPolarHBondContact O-CA 3.46Å; E110-A120 HydrophobicContact CG-CB 4.32Å
121	Y	92.6	Very high	90.6	Very high	5 Å²	5	36.8 Å²	36.8	2%	0.02	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-79.8	164.8	164.6	-73.7	-92.8	0	0	0	111.6	W109 W111 I125 I129 L142 Q158 L169	W109-Y121 HydrophobicContact CB-CD2 4.09Å; W109-Y121 WeakPolarHBondContact O-CD2 3.24Å; W109-Y121 PolarHBondContact O-N 2.87Å; W111-Y121 HydrophobicContact CB-CE2 3.91Å; W111-Y121 AromaticContact CD1-CD2 3.91Å; W111-Y121 AromaticContact CD1-CE1 3.92Å; W111-Y121 AromaticContact CD1-CE2 3.61Å; W111-Y121 AromaticContact CD1-CZ 3.64Å; W111-Y121 HydrophobicContact CG-CE2 4.13Å; Y121-I125 HydrophobicContact CD1-CB 4.48Å; Y121-I125 HydrophobicContact CD1-CD1 4.48Å; Y121-I125 HydrophobicContact CD1-CG2 3.77Å; Y121-I125 HydrophobicContact CG-CG2 4.16Å; Y121-I129 HydrophobicContact CD1-CD1 4.17Å; Y121-I129 HydrophobicContact CD2-CD1 3.79Å; Y121-I129 HydrophobicContact CE1-CD1 4.27Å; Y121-I129 HydrophobicContact CE2-CD1 3.93Å; Y121-I129 HydrophobicContact CG-CD1 3.91Å; Y121-L142 HydrophobicContact CE1-CD1 4.2Å; Y121-Q158 PolarHBondContact OH-NE2 3.19Å; Y121-L169 HydrophobicContact CE2-CD1 3.46Å; Y121-L169 VanDerWaalsContact CE2-CD1 3.46Å; Y121-L169 WeakPolarHBondContact OH-CD1 3.35Å
122	D	91.8	Very high	90.5	Very high	13 Å²	13	34.9 Å²	34.9	7%	0.07	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-66.1	146.2	170.7	-48.8	-13.3	0	0	0	108.1	R36 W37 R38 D124 I125 C126 F147	R36-D122 WeakPolarHBondContact CD-OD2 3.41Å; R36-D122 IonicContact CZ-OD2 2.7Å; R36-D122 IonicContact NE-OD2 2.69Å; R36-D122 PolarHBondContact NE-OD2 3.1Å; R36-D122 IonicContact NH2-OD2 3.55Å; W37-D122 WeakPolarHBondContact O-CB 3.19Å; R38-D122 WeakPolarHBondContact CD-OD1 3.47Å; R38-D122 IonicContact CZ-OD1 3.52Å; R38-D122 IonicContact NE-OD1 2.74Å; R38-D122 IonicContact NH1-OD1 3.87Å; R38-D122 PolarHBondContact NH1-OD1 3.43Å; D122-D124 PolarHBondContact O-N 3.07Å; D122-I125 HydrophobicContact CB-CD1 3.79Å; D122-I125 HydrophobicContact CB-CG1 4.33Å; D122-I125 WeakPolarHBondContact O-CA 3.32Å; D122-I125 VanDerWaalsContact O-CB 3.29Å; D122-I125 WeakPolarHBondContact O-CB 3.36Å; D122-I125 PolarHBondContact O-N 3.05Å; D122-C126 PolarHBondContact O-N 3.22Å; D122-C126 VanDerWaalsContact O-N 3.1Å; D122-F147 WeakPolarHBondContact OD2-CZ 3.4Å
123	M	92.1	Very high	90.6	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.02	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-40.6	-158.9	-175	54.4	71.5	0	0	114.3	V27 P39 Y97 P103 I125 C126 I127 Y177	V27-M123 HydrophobicContact CG1-CE 3.83Å; V27-M123 HydrophobicContact CG1-CG 4.4Å; V27-M123 HydrophobicContact CG2-CE 4.04Å; V27-M123 HydrophobicContact CG2-CG 4.3Å; P39-M123 HydrophobicContact CB-CE 3.81Å; P39-M123 HydrophobicContact CG-CE 4.11Å; Y97-M123 HydrophobicContact CD1-CG 4.48Å; Y97-M123 HydrophobicContact CD2-CG 4.15Å; Y97-M123 HydrophobicContact CE1-CG 4.02Å; Y97-M123 HydrophobicContact CE2-CB 4.2Å; Y97-M123 HydrophobicContact CE2-CG 3.63Å; P103-M123 HydrophobicContact CB-CE 3.93Å; P103-M123 HydrophobicContact CB-SD 3.74Å; P103-M123 HydrophobicContact CG-CE 4.47Å; P103-M123 HydrophobicContact CG-CG 4.32Å; P103-M123 HydrophobicContact CG-SD 3.67Å; M123-I125 PolarHBondContact O-N 3.4Å; M123-C126 WeakPolarHBondContact O-CB 3.32Å; M123-C126 PolarHBondContact O-N 2.84Å; M123-C126 VanDerWaalsContact O-N 3.08Å; M123-C126 HydrophobicContact SD-CB 4.17Å; M123-I127 HydrophobicContact CG-CD1 4.37Å; M123-I127 PolarHBondContact O-N 2.82Å; M123-Y177 HydrophobicContact CE-CD2 4.49Å; M123-Y177 HydrophobicContact CE-CE1 4.14Å; M123-Y177 HydrophobicContact CE-CE2 3.84Å
124	D	90.8	Very high	90.8	Very high	84 Å²	84	40.2 Å²	40.2	45%	0.449	24%	0.239	S	C	.	.	H	α-helix	trans	-59.9	-28.9	177	-52.3	-32.7	0	0	0	112.3	Y97 D122 T128	Y97-D124 VanDerWaalsContact CE1-OD1 3.23Å; Y97-D124 WeakPolarHBondContact CE1-OD1 3.22Å; Y97-D124 PolarHBondContact OH-OD1 3.26Å; D122-D124 PolarHBondContact O-N 3.07Å; D124-T128 WeakPolarHBondContact O-CB 3.12Å; D124-T128 PolarHBondContact O-N 2.7Å; D124-T128 PolarHBondContact O-OG1 3.23Å
125	I	92.2	Very high	91.4	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.036	25%	0.247	C	C	.	.	H	α-helix	trans	-80.4	-41.1	176.8	-48.9	168.2	0	0	0	110.2	Y121 D122 M123 I127 T128 I129 L142 F147	Y121-I125 HydrophobicContact CD1-CB 4.48Å; Y121-I125 HydrophobicContact CD1-CD1 4.48Å; Y121-I125 HydrophobicContact CD1-CG2 3.77Å; Y121-I125 HydrophobicContact CG-CG2 4.16Å; D122-I125 HydrophobicContact CB-CD1 3.79Å; D122-I125 HydrophobicContact CB-CG1 4.33Å; D122-I125 WeakPolarHBondContact O-CA 3.32Å; D122-I125 VanDerWaalsContact O-CB 3.29Å; D122-I125 WeakPolarHBondContact O-CB 3.36Å; D122-I125 PolarHBondContact O-N 3.05Å; M123-I125 PolarHBondContact O-N 3.4Å; I125-I127 PolarHBondContact O-N 2.89Å; I125-T128 PolarHBondContact O-N 2.89Å; I125-T128 VanDerWaalsContact O-N 3.09Å; I125-I129 HydrophobicContact CG2-CD1 3.7Å; I125-I129 HydrophobicContact CG2-CG1 4Å; I125-I129 WeakPolarHBondContact O-CB 3.37Å; I125-I129 VanDerWaalsContact O-CG1 3.22Å; I125-I129 WeakPolarHBondContact O-CG1 3.19Å; I125-I129 PolarHBondContact O-N 2.91Å; I125-L142 HydrophobicContact CG2-CD1 3.86Å; I125-L142 HydrophobicContact CG2-CD2 4Å; I125-F147 HydrophobicContact CD1-CD1 4.37Å; I125-F147 HydrophobicContact CD1-CD2 4.06Å; I125-F147 HydrophobicContact CD1-CE1 3.67Å; I125-F147 HydrophobicContact CD1-CE2 3.36Å; I125-F147 HydrophobicContact CD1-CZ 3.13Å; I125-F147 HydrophobicContact CG1-CE2 4.27Å; I125-F147 HydrophobicContact CG1-CZ 4.41Å
126	C	93.2	Very high	92.2	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-54	-41.7	171.9	-74.7	0	0	0	0	111.1	D122 M123 Q130	D122-C126 PolarHBondContact O-N 3.22Å; D122-C126 VanDerWaalsContact O-N 3.1Å; M123-C126 WeakPolarHBondContact O-CB 3.32Å; M123-C126 PolarHBondContact O-N 2.84Å; M123-C126 VanDerWaalsContact O-N 3.08Å; M123-C126 HydrophobicContact SD-CB 4.17Å; C126-Q130 VanDerWaalsContact O-CB 3.32Å; C126-Q130 WeakPolarHBondContact O-CB 3.27Å; C126-Q130 PolarHBondContact O-N 3.5Å
127	I	93.3	Very high	92.6	Very high	24 Å²	24	50.8 Å²	50.8	12%	0.123	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-45.8	175.2	-64.7	169.4	0	0	0	111	Y97 A102 P103 M123 I125 Q130 N131	Y97-I127 HydrophobicContact CD1-CD1 3.27Å; Y97-I127 HydrophobicContact CE1-CD1 3.58Å; Y97-I127 HydrophobicContact CG-CD1 4.14Å; A102-I127 HydrophobicContact CB-CG1 4Å; P103-I127 HydrophobicContact CG-CD1 4.25Å; M123-I127 HydrophobicContact CG-CD1 4.37Å; M123-I127 PolarHBondContact O-N 2.82Å; I125-I127 PolarHBondContact O-N 2.89Å; I127-Q130 PolarHBondContact O-N 2.84Å; I127-N131 WeakPolarHBondContact O-CB 3.43Å; I127-N131 PolarHBondContact O-N 2.79Å; I127-N131 PolarHBondContact O-ND2 2.89Å; I127-N131 PolarHBondContact O-OD1 3.17Å
128	T	93.4	Very high	92.7	Very high	48 Å²	48	51.6 Å²	51.6	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-63.6	-43.2	179.8	-55.7	0	0	0	0	112.3	D124 I125 N131 A132 L140 L145	D124-T128 WeakPolarHBondContact O-CB 3.12Å; D124-T128 PolarHBondContact O-N 2.7Å; D124-T128 PolarHBondContact O-OG1 3.23Å; I125-T128 PolarHBondContact O-N 2.89Å; I125-T128 VanDerWaalsContact O-N 3.09Å; T128-N131 PolarHBondContact O-N 3.19Å; T128-A132 WeakPolarHBondContact O-CB 3.49Å; T128-A132 PolarHBondContact O-N 2.85Å; T128-L140 HydrophobicContact CG2-CD1 4.39Å; T128-L140 HydrophobicContact CG2-CD2 4.1Å; T128-L145 HydrophobicContact CG2-CD1 4.15Å
129	I	94.1	Very high	92.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-46.8	176.1	-61.7	167	0	0	0	110	W109 Y121 I125 N131 A132 Y133 L140 I151 F153	W109-I129 HydrophobicContact CB-CD1 4.16Å; W109-I129 HydrophobicContact CD2-CB 4.22Å; W109-I129 HydrophobicContact CD2-CG2 3.38Å; W109-I129 HydrophobicContact CE3-CG2 3.64Å; W109-I129 HydrophobicContact CG-CB 4.12Å; W109-I129 HydrophobicContact CG-CG2 3.8Å; W109-I129 HydrophobicContact CH2-CG2 4.04Å; W109-I129 HydrophobicContact CZ2-CG2 3.83Å; W109-I129 HydrophobicContact CZ3-CG2 3.95Å; Y121-I129 HydrophobicContact CD1-CD1 4.17Å; Y121-I129 HydrophobicContact CD2-CD1 3.79Å; Y121-I129 HydrophobicContact CE1-CD1 4.27Å; Y121-I129 HydrophobicContact CE2-CD1 3.93Å; Y121-I129 HydrophobicContact CG-CD1 3.91Å; I125-I129 HydrophobicContact CG2-CD1 3.7Å; I125-I129 HydrophobicContact CG2-CG1 4Å; I125-I129 WeakPolarHBondContact O-CB 3.37Å; I125-I129 VanDerWaalsContact O-CG1 3.22Å; I125-I129 WeakPolarHBondContact O-CG1 3.19Å; I125-I129 PolarHBondContact O-N 2.91Å; I129-N131 PolarHBondContact O-N 3Å; I129-A132 PolarHBondContact O-N 3.44Å; I129-Y133 WeakPolarHBondContact O-CB 3.28Å; I129-Y133 PolarHBondContact O-N 3.3Å; I129-L140 HydrophobicContact CB-CD2 4.43Å; I129-L140 HydrophobicContact CG1-CD2 3.98Å; I129-I151 HydrophobicContact CD1-CD1 3.41Å; I129-I151 VanDerWaalsContact CD1-CD1 3.41Å; I129-I151 HydrophobicContact CG1-CD1 3.62Å; I129-I151 HydrophobicContact CG2-CD1 4.39Å; I129-F153 HydrophobicContact CG2-CE1 3.58Å; I129-F153 HydrophobicContact CG2-CZ 3.91Å
130	Q	95.2	Very high	92.9	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-42.2	178.7	-175.4	57.1	23.5	0	0	112	A102 I107 C126 I127 A132 Y133 E134	A102-Q130 HydrophobicContact CB-CB 3.95Å; A102-Q130 HydrophobicContact CB-CG 4.24Å; I107-Q130 HydrophobicContact CD1-CG 4.07Å; I107-Q130 HydrophobicContact CG2-CG 4.42Å; C126-Q130 VanDerWaalsContact O-CB 3.32Å; C126-Q130 WeakPolarHBondContact O-CB 3.27Å; C126-Q130 PolarHBondContact O-N 3.5Å; I127-Q130 PolarHBondContact O-N 2.84Å; Q130-A132 VanDerWaalsContact C-N 3.3Å; Q130-A132 PolarHBondContact O-N 3.37Å; Q130-Y133 PolarHBondContact O-N 3.15Å; Q130-E134 HydrophobicContact CG-CG 4.39Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.5Å; Q130-E134 PolarHBondContact NE2-OE1 2.9Å; Q130-E134 WeakPolarHBondContact O-CB 3.31Å; Q130-E134 WeakPolarHBondContact O-CG 3.17Å; Q130-E134 PolarHBondContact O-N 3.28Å
131	N	93.8	Very high	92.9	Very high	69 Å²	69	54 Å²	54	37%	0.369	26%	0.259	S	S	.	.	H	α-helix	trans	-64.5	-33.9	177	-70	-8.9	0	0	0	112.4	I127 T128 I129 K135	I127-N131 WeakPolarHBondContact O-CB 3.43Å; I127-N131 PolarHBondContact O-N 2.79Å; I127-N131 PolarHBondContact O-ND2 2.89Å; I127-N131 PolarHBondContact O-OD1 3.17Å; T128-N131 PolarHBondContact O-N 3.19Å; I129-N131 PolarHBondContact O-N 3Å; N131-K135 VanDerWaalsContact O-CG 3.3Å; N131-K135 WeakPolarHBondContact O-CG 3.3Å; N131-K135 PolarHBondContact O-N 2.75Å
132	A	93.1	Very high	92.8	Very high	9 Å²	9	53.9 Å²	53.9	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-73.7	-37.4	175.6	0	0	0	0	0	112.3	T128 I129 Q130 K135 Q136 H137 L140 F153	T128-A132 WeakPolarHBondContact O-CB 3.49Å; T128-A132 PolarHBondContact O-N 2.85Å; I129-A132 PolarHBondContact O-N 3.44Å; Q130-A132 VanDerWaalsContact C-N 3.3Å; Q130-A132 PolarHBondContact O-N 3.37Å; A132-K135 PolarHBondContact O-N 3.41Å; A132-Q136 PolarHBondContact O-N 3.43Å; A132-H137 PolarHBondContact O-CD2 2.85Å; A132-H137 PolarHBondContact O-N 3.13Å; A132-H137 VanDerWaalsContact O-N 3.12Å; A132-L140 HydrophobicContact CB-CB 4.37Å; A132-L140 HydrophobicContact CB-CD1 4.33Å; A132-L140 HydrophobicContact CB-CD2 4Å; A132-L140 HydrophobicContact CB-CG 4.48Å; A132-F153 HydrophobicContact CB-CE2 4.03Å; A132-F153 HydrophobicContact CB-CZ 3.91Å
133	Y	94.6	Very high	92.5	Very high	100 Å²	100	55.1 Å²	55.1	39%	0.392	27%	0.268	S	S	.	.	H	α-helix	trans	-68.3	-43.8	175.9	-175.9	-100.1	0	0	0	112.5	W109 I129 Q130 K135 Q136 F153	W109-Y133 AromaticContact CH2-CD2 3.8Å; W109-Y133 HydrophobicContact CH2-CD2 3.8Å; W109-Y133 HydrophobicContact CH2-CE2 4.25Å; W109-Y133 AromaticContact CH2-CG 3.96Å; W109-Y133 HydrophobicContact CH2-CG 3.96Å; W109-Y133 HydrophobicContact CZ2-CD1 4.11Å; W109-Y133 HydrophobicContact CZ2-CD2 4.07Å; W109-Y133 AromaticContact CZ2-CG 3.72Å; W109-Y133 HydrophobicContact CZ2-CG 3.72Å; I129-Y133 WeakPolarHBondContact O-CB 3.28Å; I129-Y133 PolarHBondContact O-N 3.3Å; Q130-Y133 PolarHBondContact O-N 3.15Å; Y133-K135 PolarHBondContact O-N 2.92Å; Y133-Q136 PolarHBondContact O-N 2.83Å; Y133-F153 HydrophobicContact CD2-CB 4.37Å; Y133-F153 AromaticContact CD2-CD1 3.56Å; Y133-F153 HydrophobicContact CD2-CD1 3.56Å; Y133-F153 HydrophobicContact CD2-CE1 4.08Å; Y133-F153 HydrophobicContact CD2-CG 4.17Å; Y133-F153 HydrophobicContact CE2-CD1 4.45Å; Y133-F153 HydrophobicContact CG-CD1 4.35Å; Y133-F153 HydrophobicContact CG-CE1 4.44Å
134	E	93.4	Very high	91.7	Very high	89 Å²	89	59.5 Å²	59.5	42%	0.416	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-29.1	175	-74.7	177.8	-170.9	0	0	112.2	K105 Q130 Q136	K105-E134 IonicContact NZ-OE1 3.42Å; K105-E134 PolarHBondContact NZ-OE1 3.1Å; K105-E134 IonicContact NZ-OE2 2.65Å; K105-E134 PolarHBondContact NZ-OE2 3.36Å; Q130-E134 HydrophobicContact CG-CG 4.39Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.5Å; Q130-E134 PolarHBondContact NE2-OE1 2.9Å; Q130-E134 WeakPolarHBondContact O-CB 3.31Å; Q130-E134 WeakPolarHBondContact O-CG 3.17Å; Q130-E134 PolarHBondContact O-N 3.28Å; E134-Q136 VanDerWaalsContact C-N 3.31Å
135	K	93.3	Very high	91.1	Very high	154 Å²	154	59.4 Å²	59.4	67%	0.67	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	7	173.5	-69.9	177.5	-179.8	-175.1	0	114.4	N131 A132 Y133 H137	N131-K135 VanDerWaalsContact O-CG 3.3Å; N131-K135 WeakPolarHBondContact O-CG 3.3Å; N131-K135 PolarHBondContact O-N 2.75Å; A132-K135 PolarHBondContact O-N 3.41Å; Y133-K135 PolarHBondContact O-N 2.92Å; K135-H137 PolarHBondContact O-N 2.82Å; K135-H137 VanDerWaalsContact O-N 3.16Å
136	Q	93.6	Very high	90.5	Very high	176 Å²	176	62.3 Å²	62.3	82%	0.822	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	30	178.8	-55.3	-177	-3.6	0	0	114.5	A132 Y133 E134	A132-Q136 PolarHBondContact O-N 3.43Å; Y133-Q136 PolarHBondContact O-N 2.83Å; E134-Q136 VanDerWaalsContact C-N 3.31Å
137	H	92.8	Very high	90	Very high	96 Å²	96	63.1 Å²	63.1	44%	0.444	33%	0.333	S	S	.	.			trans	-65	139.3	172.6	-70.2	-73.4	0	0	0	110.2	A132 K135 W139 F153	A132-H137 PolarHBondContact O-CD2 2.85Å; A132-H137 PolarHBondContact O-N 3.13Å; A132-H137 VanDerWaalsContact O-N 3.12Å; K135-H137 PolarHBondContact O-N 2.82Å; K135-H137 VanDerWaalsContact O-N 3.16Å; H137-W139 VanDerWaalsContact C-N 3.33Å; H137-W139 PolarHBondContact O-N 3.4Å; H137-F153 WeakPolarHBondContact O-CD2 3.43Å
138	P	90.2	Very high	89.7	Confident	70 Å²	70	63.7 Å²	63.7	46%	0.455	34%	0.339	S	S	.	.	S	Bend	trans	-72.4	-27.1	-178.7	27.3	-34.2	0	0	0	113.1	F153	P138-F153 PolarHBondContact O-N 3.33Å; P138-F153 VanDerWaalsContact O-N 3.1Å
139	W	92.8	Very high	89.5	Confident	135 Å²	135	63.8 Å²	63.8	51%	0.511	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	166.2	178.2	58.6	-94.9	0	0	0	111.7	H137 D141 L150 I151 Y152	H137-W139 VanDerWaalsContact C-N 3.33Å; H137-W139 PolarHBondContact O-N 3.4Å; W139-D141 HydrophobicContact CE3-CB 4.49Å; W139-D141 HydrophobicContact CZ3-CB 4Å; W139-L150 HydrophobicContact CB-CD2 4.27Å; W139-L150 HydrophobicContact CD2-CD2 4.42Å; W139-L150 HydrophobicContact CE3-CD1 4.1Å; W139-L150 HydrophobicContact CE3-CD2 4.27Å; W139-L150 HydrophobicContact CE3-CG 4.3Å; W139-L150 HydrophobicContact CG-CD2 4.44Å; W139-L150 HydrophobicContact CZ3-CD1 4.38Å; W139-I151 CarbonylContact C-O 3.36Å; W139-I151 WeakPolarHBondContact CA-O 3.45Å; W139-I151 WeakPolarHBondContact CB-O 3.27Å; W139-Y152 HydrophobicContact CB-CD1 4.01Å; W139-Y152 HydrophobicContact CB-CE1 4.38Å
140	L	93.8	Very high	89.4	Confident	29 Å²	29	64.7 Å²	64.7	15%	0.152	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	129.8	176	172.1	65.5	0	0	0	110.1	T128 I129 A132 L142 L150 I151 F153	T128-L140 HydrophobicContact CG2-CD1 4.39Å; T128-L140 HydrophobicContact CG2-CD2 4.1Å; I129-L140 HydrophobicContact CB-CD2 4.43Å; I129-L140 HydrophobicContact CG1-CD2 3.98Å; A132-L140 HydrophobicContact CB-CB 4.37Å; A132-L140 HydrophobicContact CB-CD1 4.33Å; A132-L140 HydrophobicContact CB-CD2 4Å; A132-L140 HydrophobicContact CB-CG 4.48Å; L140-L142 HydrophobicContact CD2-CD2 3.68Å; L140-L142 HydrophobicContact CG-CD2 3.9Å; L140-L150 CarbonylContact O-C 3.46Å; L140-L150 WeakPolarHBondContact O-CA 3.45Å; L140-I151 HydrophobicContact CB-CB 4.41Å; L140-I151 PolarHBondContact N-O 2.84Å; L140-I151 PolarHBondContact O-N 3.18Å; L140-F153 HydrophobicContact CB-CE2 3.83Å; L140-F153 HydrophobicContact CB-CZ 4.14Å; L140-F153 HydrophobicContact CD2-CZ 4.47Å
141	D	91.3	Very high	89.4	Confident	18 Å²	18	64.5 Å²	64.5	10%	0.096	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.4	172	-170.2	-2.3	0	0	0	110.3	W139 S143 L150 R161 F255	W139-D141 HydrophobicContact CE3-CB 4.49Å; W139-D141 HydrophobicContact CZ3-CB 4Å; D141-S143 VanDerWaalsContact C-N 3.34Å; D141-S143 WeakPolarHBondContact OD1-CB 3.44Å; D141-S143 PolarHBondContact OD1-N 2.99Å; D141-S143 PolarHBondContact OD1-OG 2.54Å; D141-L150 HydrophobicContact CB-CD1 3.59Å; D141-R161 IonicContact OD1-NH1 2.73Å; D141-R161 PolarHBondContact OD1-NH1 3.09Å; D141-R161 IonicContact OD2-CZ 3.59Å; D141-R161 IonicContact OD2-NH1 3.4Å; D141-R161 PolarHBondContact OD2-NH1 3.32Å; D141-R161 IonicContact OD2-NH2 3.46Å; D141-F255 WeakPolarHBondContact OD2-CE1 3.11Å
142	L	89.8	Confident	89.4	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.334	C	S	.	.			trans	-90.9	4.4	178.1	-57.5	-179.8	0	0	0	112.9	Y121 I125 L140 S144 L145 G146 F147 Y149 I151	Y121-L142 HydrophobicContact CE1-CD1 4.2Å; I125-L142 HydrophobicContact CG2-CD1 3.86Å; I125-L142 HydrophobicContact CG2-CD2 4Å; L140-L142 HydrophobicContact CD2-CD2 3.68Å; L140-L142 HydrophobicContact CG-CD2 3.9Å; L142-S144 VanDerWaalsContact C-N 3.26Å; L142-S144 PolarHBondContact O-N 3.25Å; L142-L145 HydrophobicContact CD2-CD1 4.35Å; L142-L145 WeakPolarHBondContact O-CA 3.34Å; L142-L145 PolarHBondContact O-N 2.77Å; L142-G146 PolarHBondContact O-N 2.74Å; L142-F147 CarbonylContact C-O 3.44Å; L142-F147 HydrophobicContact CB-CB 3.67Å; L142-F147 HydrophobicContact CB-CG 4.44Å; L142-F147 PolarHBondContact O-N 3.16Å; L142-F147 VanDerWaalsContact O-N 3.13Å; L142-Y149 PolarHBondContact N-O 2.71Å; L142-I151 HydrophobicContact CD1-CD1 3.83Å; L142-I151 HydrophobicContact CG-CD1 4.4Å
143	S	84.9	Confident	89.5	Confident	39 Å²	39	64.6 Å²	64.6	27%	0.273	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-62.7	-31.9	-176.7	-55.8	0	0	0	0	112.9	D141 L145 G146 F147 R161	D141-S143 VanDerWaalsContact C-N 3.34Å; D141-S143 WeakPolarHBondContact OD1-CB 3.44Å; D141-S143 PolarHBondContact OD1-N 2.99Å; D141-S143 PolarHBondContact OD1-OG 2.54Å; S143-L145 PolarHBondContact O-N 2.71Å; S143-G146 PolarHBondContact O-N 2.94Å; S143-G146 VanDerWaalsContact O-N 3.14Å; S143-F147 WeakPolarHBondContact CA-O 3.38Å; S143-F147 PolarHBondContact N-O 3.3Å; S143-F147 PolarHBondContact OG-O 3.21Å; S143-R161 WeakPolarHBondContact OG-CD 3.25Å; S143-R161 PolarHBondContact OG-NH1 3.16Å
144	S	75.6	Confident	89.3	Confident	97 Å²	97	66.9 Å²	66.9	68%	0.678	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-65	-21.6	172.5	51.7	0	0	0	0	113.8	L142	L142-S144 VanDerWaalsContact C-N 3.26Å; L142-S144 PolarHBondContact O-N 3.25Å
145	L	79.7	Confident	89.2	Confident	81 Å²	81	65.5 Å²	65.5	42%	0.424	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-98.1	7.5	175.8	-58.1	-179.6	0	0	0	112.6	T128 L142 S143 F147	T128-L145 HydrophobicContact CG2-CD1 4.15Å; L142-L145 HydrophobicContact CD2-CD1 4.35Å; L142-L145 WeakPolarHBondContact O-CA 3.34Å; L142-L145 PolarHBondContact O-N 2.77Å; S143-L145 PolarHBondContact O-N 2.71Å; L145-F147 HydrophobicContact CB-CD2 4.15Å; L145-F147 VanDerWaalsContact O-CD2 3.24Å; L145-F147 WeakPolarHBondContact O-CD2 3.44Å; L145-F147 WeakPolarHBondContact O-CE2 3.29Å
146	G	79.3	Confident	89.3	Confident	68 Å²	68	61.1 Å²	61.1	70%	0.701	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	18	179.9	0	0	0	0	0	115.3	L142 S143	L142-G146 PolarHBondContact O-N 2.74Å; S143-G146 PolarHBondContact O-N 2.94Å; S143-G146 VanDerWaalsContact O-N 3.14Å
147	F	82.9	Confident	89.3	Confident	19 Å²	19	53.2 Å²	53.2	8%	0.083	30%	0.298	C	S	.	.			trans	-120.1	123	-176.9	-68.8	-103.6	0	0	0	111.7	R36 D122 I125 L142 S143 L145 Y149	R36-F147 VanDerWaalsContact CZ-CZ 3.44Å; D122-F147 WeakPolarHBondContact OD2-CZ 3.4Å; I125-F147 HydrophobicContact CD1-CD1 4.37Å; I125-F147 HydrophobicContact CD1-CD2 4.06Å; I125-F147 HydrophobicContact CD1-CE1 3.67Å; I125-F147 HydrophobicContact CD1-CE2 3.36Å; I125-F147 HydrophobicContact CD1-CZ 3.13Å; I125-F147 HydrophobicContact CG1-CE2 4.27Å; I125-F147 HydrophobicContact CG1-CZ 4.41Å; L142-F147 CarbonylContact C-O 3.44Å; L142-F147 HydrophobicContact CB-CB 3.67Å; L142-F147 HydrophobicContact CB-CG 4.44Å; L142-F147 PolarHBondContact O-N 3.16Å; L142-F147 VanDerWaalsContact O-N 3.13Å; S143-F147 WeakPolarHBondContact CA-O 3.38Å; S143-F147 PolarHBondContact N-O 3.3Å; S143-F147 PolarHBondContact OG-O 3.21Å; L145-F147 HydrophobicContact CB-CD2 4.15Å; L145-F147 VanDerWaalsContact O-CD2 3.24Å; L145-F147 WeakPolarHBondContact O-CD2 3.44Å; L145-F147 WeakPolarHBondContact O-CE2 3.29Å; F147-Y149 HydrophobicContact CB-CD2 3.94Å; F147-Y149 AromaticContact CD1-CD2 3.95Å; F147-Y149 HydrophobicContact CD1-CD2 3.95Å; F147-Y149 HydrophobicContact CD1-CE2 4.12Å; F147-Y149 HydrophobicContact CG-CD2 4.45Å; F147-Y149 PolarHBondContact O-N 2.82Å
148	C	85.3	Confident	89.4	Confident	37 Å²	37	48.8 Å²	48.8	25%	0.25	28%	0.278	C	S	.	.			trans	-74	37	177.2	61.1	0	0	0	0	114.1	N160 R161 Q162	C148-N160 CarbonylContact O-C 3.59Å; C148-N160 WeakPolarHBondContact O-CA 3.4Å; C148-R161 PolarHBondContact O-N 3.37Å; C148-Q162 HydrophobicContact CB-CG 4.24Å; C148-Q162 PolarHBondContact SG-OE1 3.26Å
149	Y	90.6	Very high	89.5	Confident	49 Å²	49	46 Å²	46	19%	0.192	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.5	-175.5	-61.2	-59.4	0	0	0	112.1	L142 F147 Q158 M159 N160	L142-Y149 PolarHBondContact N-O 2.71Å; F147-Y149 HydrophobicContact CB-CD2 3.94Å; F147-Y149 AromaticContact CD1-CD2 3.95Å; F147-Y149 HydrophobicContact CD1-CD2 3.95Å; F147-Y149 HydrophobicContact CD1-CE2 4.12Å; F147-Y149 HydrophobicContact CG-CD2 4.45Å; F147-Y149 PolarHBondContact O-N 2.82Å; Y149-Q158 VanDerWaalsContact CD1-CD 3.44Å; Y149-Q158 HydrophobicContact CD1-CG 3.82Å; Y149-Q158 HydrophobicContact CG-CG 3.91Å; Y149-M159 WeakPolarHBondContact CA-O 3.32Å; Y149-N160 HydrophobicContact CD1-CB 4.04Å; Y149-N160 HydrophobicContact CE1-CB 3.92Å
150	L	91.9	Very high	89.4	Confident	19 Å²	19	40.6 Å²	40.6	10%	0.099	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	139.2	161	-143	89.3	0	0	0	108.9	W139 L140 D141 Y152 Q158 M159	W139-L150 HydrophobicContact CB-CD2 4.27Å; W139-L150 HydrophobicContact CD2-CD2 4.42Å; W139-L150 HydrophobicContact CE3-CD1 4.1Å; W139-L150 HydrophobicContact CE3-CD2 4.27Å; W139-L150 HydrophobicContact CE3-CG 4.3Å; W139-L150 HydrophobicContact CG-CD2 4.44Å; W139-L150 HydrophobicContact CZ3-CD1 4.38Å; L140-L150 CarbonylContact O-C 3.46Å; L140-L150 WeakPolarHBondContact O-CA 3.45Å; D141-L150 HydrophobicContact CB-CD1 3.59Å; L150-Y152 HydrophobicContact CD2-CD1 4.41Å; L150-Y152 HydrophobicContact CD2-CE1 3.69Å; L150-Y152 HydrophobicContact CD2-CE2 4Å; L150-Y152 VanDerWaalsContact CD2-CZ 3.46Å; L150-Y152 WeakPolarHBondContact CD2-OH 3.43Å; L150-Q158 CarbonylContact O-C 3.16Å; L150-Q158 WeakPolarHBondContact O-CA 3.27Å; L150-M159 PolarHBondContact N-O 3.36Å; L150-M159 PolarHBondContact O-N 3.25Å
151	I	95.3	Very high	88.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.2	170.6	-79.6	169.8	0	0	0	108.7	I129 W139 L140 L142 F153 Q158 L169	I129-I151 HydrophobicContact CD1-CD1 3.41Å; I129-I151 VanDerWaalsContact CD1-CD1 3.41Å; I129-I151 HydrophobicContact CG1-CD1 3.62Å; I129-I151 HydrophobicContact CG2-CD1 4.39Å; W139-I151 CarbonylContact C-O 3.36Å; W139-I151 WeakPolarHBondContact CA-O 3.45Å; W139-I151 WeakPolarHBondContact CB-O 3.27Å; L140-I151 HydrophobicContact CB-CB 4.41Å; L140-I151 PolarHBondContact N-O 2.84Å; L140-I151 PolarHBondContact O-N 3.18Å; L142-I151 HydrophobicContact CD1-CD1 3.83Å; L142-I151 HydrophobicContact CG-CD1 4.4Å; I151-F153 HydrophobicContact CG2-CD1 4.03Å; I151-F153 HydrophobicContact CG2-CD2 4.29Å; I151-F153 HydrophobicContact CG2-CE1 3.75Å; I151-F153 HydrophobicContact CG2-CE2 4.03Å; I151-F153 HydrophobicContact CG2-CG 4.33Å; I151-F153 HydrophobicContact CG2-CZ 3.75Å; I151-Q158 HydrophobicContact CG1-CG 4.48Å; I151-L169 HydrophobicContact CD1-CD1 4.46Å; I151-L169 HydrophobicContact CD1-CD2 4.46Å; I151-L169 HydrophobicContact CG1-CD2 4.31Å; I151-L169 HydrophobicContact CG2-CD2 3.61Å
152	Y	93.4	Very high	88.5	Confident	69 Å²	69	51.2 Å²	51.2	27%	0.271	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115	172.5	-65.3	-78.8	0	0	0	109.1	W139 L150 S155 M156 S157 M159	W139-Y152 HydrophobicContact CB-CD1 4.01Å; W139-Y152 HydrophobicContact CB-CE1 4.38Å; L150-Y152 HydrophobicContact CD2-CD1 4.41Å; L150-Y152 HydrophobicContact CD2-CE1 3.69Å; L150-Y152 HydrophobicContact CD2-CE2 4Å; L150-Y152 VanDerWaalsContact CD2-CZ 3.46Å; L150-Y152 WeakPolarHBondContact CD2-OH 3.43Å; Y152-S155 WeakPolarHBondContact CB-OG 3.45Å; Y152-M156 PolarHBondContact O-N 3.27Å; Y152-M156 VanDerWaalsContact O-N 3.16Å; Y152-S157 PolarHBondContact N-O 3.4Å; Y152-S157 PolarHBondContact O-N 3.03Å; Y152-S157 VanDerWaalsContact O-N 3.13Å; Y152-M159 HydrophobicContact CD2-CB 4.41Å; Y152-M159 HydrophobicContact CE2-CB 3.92Å; Y152-M159 HydrophobicContact CE2-CE 3.9Å; Y152-M159 HydrophobicContact CE2-SD 4.19Å; Y152-M159 WeakPolarHBondContact OH-CE 3.31Å
153	F	94.6	Very high	88.3	Confident	11 Å²	11	55.6 Å²	55.6	5%	0.048	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-45.3	-175.5	-66.2	-73.7	0	0	0	111.7	W109 I129 A132 Y133 H137 P138 L140 I151 S155 M156	W109-F153 AromaticContact CH2-CD1 3.98Å; W109-F153 HydrophobicContact CH2-CD1 3.98Å; W109-F153 AromaticContact CH2-CE1 3.87Å; W109-F153 HydrophobicContact CH2-CE1 3.87Å; W109-F153 HydrophobicContact CZ2-CE1 4.34Å; W109-F153 HydrophobicContact CZ3-CD1 4.47Å; W109-F153 HydrophobicContact CZ3-CE1 4.34Å; I129-F153 HydrophobicContact CG2-CE1 3.58Å; I129-F153 HydrophobicContact CG2-CZ 3.91Å; A132-F153 HydrophobicContact CB-CE2 4.03Å; A132-F153 HydrophobicContact CB-CZ 3.91Å; Y133-F153 HydrophobicContact CD2-CB 4.37Å; Y133-F153 AromaticContact CD2-CD1 3.56Å; Y133-F153 HydrophobicContact CD2-CD1 3.56Å; Y133-F153 HydrophobicContact CD2-CE1 4.08Å; Y133-F153 HydrophobicContact CD2-CG 4.17Å; Y133-F153 HydrophobicContact CE2-CD1 4.45Å; Y133-F153 HydrophobicContact CG-CD1 4.35Å; Y133-F153 HydrophobicContact CG-CE1 4.44Å; H137-F153 WeakPolarHBondContact O-CD2 3.43Å; P138-F153 PolarHBondContact O-N 3.33Å; P138-F153 VanDerWaalsContact O-N 3.1Å; L140-F153 HydrophobicContact CB-CE2 3.83Å; L140-F153 HydrophobicContact CB-CZ 4.14Å; L140-F153 HydrophobicContact CD2-CZ 4.47Å; I151-F153 HydrophobicContact CG2-CD1 4.03Å; I151-F153 HydrophobicContact CG2-CD2 4.29Å; I151-F153 HydrophobicContact CG2-CE1 3.75Å; I151-F153 HydrophobicContact CG2-CE2 4.03Å; I151-F153 HydrophobicContact CG2-CG 4.33Å; I151-F153 HydrophobicContact CG2-CZ 3.75Å; F153-S155 PolarHBondContact O-N 3.38Å; F153-M156 WeakPolarHBondContact O-CG 3.21Å; F153-M156 PolarHBondContact O-N 3.32Å
154	N	91.4	Very high	88.5	Confident	147 Å²	147	62 Å²	62	79%	0.786	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.3	179.7	-58.4	24.2	0	0	0	114.3
155	S	91.6	Very high	89.1	Confident	60 Å²	60	63.7 Å²	63.7	42%	0.42	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	11.1	178.4	62.8	0	0	0	0	113.4	Y152 F153 S157 R166	Y152-S155 WeakPolarHBondContact CB-OG 3.45Å; F153-S155 PolarHBondContact O-N 3.38Å; S155-S157 VanDerWaalsContact C-N 3.28Å; S155-S157 PolarHBondContact O-N 2.98Å; S155-S157 VanDerWaalsContact O-N 3.14Å; S155-S157 PolarHBondContact OG-OG 3.26Å; S155-R166 PolarHBondContact OG-NH2 3.16Å
156	M	95	Very high	89.6	Confident	63 Å²	63	66.5 Å²	66.5	31%	0.31	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	36.5	57.8	-177.4	-68.4	-64.3	-73.6	0	0	112.6	W109 Y152 F153 L169 R171	W109-M156 HydrophobicContact CH2-CE 4.22Å; W109-M156 HydrophobicContact CH2-SD 4.46Å; W109-M156 HydrophobicContact CZ3-CE 3.73Å; W109-M156 HydrophobicContact CZ3-SD 4.27Å; Y152-M156 PolarHBondContact O-N 3.27Å; Y152-M156 VanDerWaalsContact O-N 3.16Å; F153-M156 WeakPolarHBondContact O-CG 3.21Å; F153-M156 PolarHBondContact O-N 3.32Å; M156-L169 WeakPolarHBondContact O-CB 3.42Å; M156-L169 PolarHBondContact O-N 3.31Å; M156-R171 HydrophobicContact CE-CB 4.39Å
157	S	94.1	Very high	90.3	Very high	9 Å²	9	65.7 Å²	65.7	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.9	-176.8	62.3	0	0	0	0	113.6	Y152 S155 R166 R167	Y152-S157 PolarHBondContact N-O 3.4Å; Y152-S157 PolarHBondContact O-N 3.03Å; Y152-S157 VanDerWaalsContact O-N 3.13Å; S155-S157 VanDerWaalsContact C-N 3.28Å; S155-S157 PolarHBondContact O-N 2.98Å; S155-S157 VanDerWaalsContact O-N 3.14Å; S155-S157 PolarHBondContact OG-OG 3.26Å; S157-R166 PolarHBondContact OG-NH2 3.43Å; S157-R167 WeakPolarHBondContact CA-O 3.03Å; S157-R167 WeakPolarHBondContact CB-O 3.32Å
158	Q	94.3	Very high	90.9	Very high	4 Å²	4	72 Å²	72	2%	0.019	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.6	167.9	-173.8	-163.5	65.7	0	0	108.5	Y121 Y149 L150 I151 R166 R167	Y121-Q158 PolarHBondContact OH-NE2 3.19Å; Y149-Q158 VanDerWaalsContact CD1-CD 3.44Å; Y149-Q158 HydrophobicContact CD1-CG 3.82Å; Y149-Q158 HydrophobicContact CG-CG 3.91Å; L150-Q158 CarbonylContact O-C 3.16Å; L150-Q158 WeakPolarHBondContact O-CA 3.27Å; I151-Q158 HydrophobicContact CG1-CG 4.48Å; Q158-R166 CarbonylContact O-C 3.56Å; Q158-R166 WeakPolarHBondContact O-CA 3.32Å; Q158-R167 PolarHBondContact N-O 3.28Å; Q158-R167 PolarHBondContact O-N 3.18Å
159	M	91.8	Very high	91.4	Very high	11 Å²	11	70.6 Å²	70.6	5%	0.054	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.9	171.7	-173.9	178.6	69.3	0	0	110.4	Y149 L150 Y152 R161 R165 R166	Y149-M159 WeakPolarHBondContact CA-O 3.32Å; L150-M159 PolarHBondContact N-O 3.36Å; L150-M159 PolarHBondContact O-N 3.25Å; Y152-M159 HydrophobicContact CD2-CB 4.41Å; Y152-M159 HydrophobicContact CE2-CB 3.92Å; Y152-M159 HydrophobicContact CE2-CE 3.9Å; Y152-M159 HydrophobicContact CE2-SD 4.19Å; Y152-M159 WeakPolarHBondContact OH-CE 3.31Å; M159-R161 PolarHBondContact O-N 3.32Å; M159-R165 WeakPolarHBondContact CA-O 3.01Å; M159-R166 HydrophobicContact CB-CG 4.05Å; M159-R166 HydrophobicContact CG-CG 3.94Å; M159-R166 HydrophobicContact SD-CG 4.46Å
160	N	90	Very high	91.7	Very high	21 Å²	21	72.4 Å²	72.4	11%	0.112	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	125.1	168.9	-175.2	-56.7	0	0	0	109.7	C148 Y149 Q162 T163 R164 R165	C148-N160 CarbonylContact O-C 3.59Å; C148-N160 WeakPolarHBondContact O-CA 3.4Å; Y149-N160 HydrophobicContact CD1-CB 4.04Å; Y149-N160 HydrophobicContact CE1-CB 3.92Å; N160-Q162 VanDerWaalsContact C-N 3.34Å; N160-Q162 PolarHBondContact O-N 2.04Å; N160-Q162 WeakPolarHBondContact OD1-CA 3.3Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.42Å; N160-Q162 PolarHBondContact OD1-N 3.32Å; N160-T163 WeakPolarHBondContact CB-OG1 3.33Å; N160-T163 VanDerWaalsContact CG-OG1 3.25Å; N160-T163 PolarHBondContact OD1-N 3.44Å; N160-T163 PolarHBondContact OD1-OG1 2.85Å; N160-R164 WeakPolarHBondContact O-CA 3.24Å; N160-R164 PolarHBondContact O-N 2.88Å; N160-R165 PolarHBondContact N-O 3.37Å
161	R	84.3	Confident	91.8	Very high	116 Å²	116	75.7 Å²	75.7	44%	0.438	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-30.8	-177.7	-64.8	-177.5	71.1	172.6	14.9	113.2	D141 S143 C148 M159	D141-R161 IonicContact OD1-NH1 2.73Å; D141-R161 PolarHBondContact OD1-NH1 3.09Å; D141-R161 IonicContact OD2-CZ 3.59Å; D141-R161 IonicContact OD2-NH1 3.4Å; D141-R161 PolarHBondContact OD2-NH1 3.32Å; D141-R161 IonicContact OD2-NH2 3.46Å; S143-R161 WeakPolarHBondContact OG-CD 3.25Å; S143-R161 PolarHBondContact OG-NH1 3.16Å; C148-R161 PolarHBondContact O-N 3.37Å; M159-R161 PolarHBondContact O-N 3.32Å
162	Q	83.2	Confident	91.7	Very high	155 Å²	155	79.1 Å²	79.1	72%	0.724	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-44.1	-177.2	-63.9	167.6	-29.8	0	0	111.9	C148 N160	C148-Q162 HydrophobicContact CB-CG 4.24Å; C148-Q162 PolarHBondContact SG-OE1 3.26Å; N160-Q162 VanDerWaalsContact C-N 3.34Å; N160-Q162 PolarHBondContact O-N 2.04Å; N160-Q162 WeakPolarHBondContact OD1-CA 3.3Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.42Å; N160-Q162 PolarHBondContact OD1-N 3.32Å
163	T	85.9	Confident	91.7	Very high	93 Å²	93	81.5 Å²	81.5	57%	0.571	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-2.8	-175.6	64.8	0	0	0	0	114.1	N160 R165	N160-T163 WeakPolarHBondContact CB-OG1 3.33Å; N160-T163 VanDerWaalsContact CG-OG1 3.25Å; N160-T163 PolarHBondContact OD1-N 3.44Å; N160-T163 PolarHBondContact OD1-OG1 2.85Å; T163-R165 PolarHBondContact O-N 2.88Å
164	R	88.9	Confident	91.4	Very high	174 Å²	174	83.4 Å²	83.4	66%	0.657	37%	0.372	S	S	*	.			trans	56.4	-0.8	-174.5	-62	-66.1	-62.8	-160.6	-3	115.8	N160 R166	N160-R164 WeakPolarHBondContact O-CA 3.24Å; N160-R164 PolarHBondContact O-N 2.88Å; R164-R166 PolarHBondContact O-N 3.13Å
165	R	87.4	Confident	91.3	Very high	131 Å²	131	80.3 Å²	80.3	49%	0.494	36%	0.355	S	S	.	.			trans	-62.4	132.4	179.3	-168.5	177	-173.2	-167.6	0.2	110.7	D114 M159 N160 T163	D114-R165 VanDerWaalsContact CG-CZ 3.5Å; D114-R165 VanDerWaalsContact CG-NH1 3.26Å; D114-R165 IonicContact OD1-CZ 3.26Å; D114-R165 VanDerWaalsContact OD1-CZ 3.24Å; D114-R165 IonicContact OD1-NH1 2.74Å; D114-R165 PolarHBondContact OD1-NH1 3.49Å; D114-R165 IonicContact OD1-NH2 2.66Å; D114-R165 PolarHBondContact OD1-NH2 3.46Å; D114-R165 IonicContact OD2-CZ 3.55Å; D114-R165 IonicContact OD2-NH1 2.85Å; D114-R165 PolarHBondContact OD2-NH1 3.28Å; D114-R165 IonicContact OD2-NH2 3.98Å; D114-R165 PolarHBondContact OD2-NH2 2.56Å; M159-R165 WeakPolarHBondContact CA-O 3.01Å; N160-R165 PolarHBondContact N-O 3.37Å; T163-R165 PolarHBondContact O-N 2.88Å
166	R	91	Very high	91.3	Very high	140 Å²	140	79.4 Å²	79.4	53%	0.528	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	147.7	174.9	-63.2	176.7	73.4	-179	3.8	110.7	S155 S157 Q158 M159 R164	S155-R166 PolarHBondContact OG-NH2 3.16Å; S157-R166 PolarHBondContact OG-NH2 3.43Å; Q158-R166 CarbonylContact O-C 3.56Å; Q158-R166 WeakPolarHBondContact O-CA 3.32Å; M159-R166 HydrophobicContact CB-CG 4.05Å; M159-R166 HydrophobicContact CG-CG 3.94Å; M159-R166 HydrophobicContact SD-CG 4.46Å; R164-R166 PolarHBondContact O-N 3.13Å
167	R	93.6	Very high	91.3	Very high	52 Å²	52	76.9 Å²	76.9	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.6	173.5	-76.1	173.7	173.6	157.1	-0.3	109.2	W111 E112 D114 S157 Q158	W111-R167 VanDerWaalsContact CZ3-NH1 3.26Å; E112-R167 VanDerWaalsContact O-CD 3.3Å; E112-R167 WeakPolarHBondContact O-CD 3.12Å; D114-R167 IonicContact OD1-CZ 2.73Å; D114-R167 IonicContact OD1-NE 2.78Å; D114-R167 PolarHBondContact OD1-NE 2.87Å; D114-R167 IonicContact OD1-NH2 2.91Å; D114-R167 PolarHBondContact OD1-NH2 3.34Å; D114-R167 IonicContact OD2-NH2 3.65Å; D114-R167 PolarHBondContact OD2-NH2 3.31Å; S157-R167 WeakPolarHBondContact CA-O 3.03Å; S157-R167 WeakPolarHBondContact CB-O 3.32Å; Q158-R167 PolarHBondContact N-O 3.28Å; Q158-R167 PolarHBondContact O-N 3.18Å
168	R	95.1	Very high	91.2	Very high	152 Å²	152	76.8 Å²	76.8	57%	0.574	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	145.7	178.1	-63.7	-168.8	-76.4	-165.7	-2.7	110.7	W111 E112 W118	W111-R168 WeakPolarHBondContact CA-O 3.44Å; E112-R168 HydrophobicContact CB-CB 4.1Å; E112-R168 PolarHBondContact N-O 3.48Å; E112-R168 IonicContact OE1-CZ 3.32Å; E112-R168 IonicContact OE1-NE 3.72Å; E112-R168 PolarHBondContact OE1-NE 2.73Å; E112-R168 IonicContact OE1-NH2 2.99Å; E112-R168 PolarHBondContact OE1-NH2 2.97Å; E112-R168 WeakPolarHBondContact OE2-CG 3.31Å; E112-R168 IonicContact OE2-CZ 2.98Å; E112-R168 IonicContact OE2-NE 2.83Å; E112-R168 PolarHBondContact OE2-NE 3.1Å; E112-R168 IonicContact OE2-NH2 2.82Å; E112-R168 PolarHBondContact OE2-NH2 3.34Å; W118-R168 HydrophobicContact CH2-CB 3.67Å; W118-R168 HydrophobicContact CZ2-CB 4.3Å; W118-R168 HydrophobicContact CZ3-CB 4.43Å
169	L	96.4	Very high	91.1	Very high	7 Å²	7	82 Å²	82	4%	0.037	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	142.5	177.1	-179.2	73.7	0	0	0	108	W109 Y121 I151 M156	W109-L169 HydrophobicContact CE3-CD1 4.08Å; W109-L169 HydrophobicContact CE3-CD2 4Å; W109-L169 HydrophobicContact CE3-CG 3.9Å; W109-L169 HydrophobicContact CZ3-CD2 3.68Å; W109-L169 HydrophobicContact CZ3-CG 3.91Å; Y121-L169 HydrophobicContact CE2-CD1 3.46Å; Y121-L169 VanDerWaalsContact CE2-CD1 3.46Å; Y121-L169 WeakPolarHBondContact OH-CD1 3.35Å; I151-L169 HydrophobicContact CD1-CD1 4.46Å; I151-L169 HydrophobicContact CD1-CD2 4.46Å; I151-L169 HydrophobicContact CG1-CD2 4.31Å; I151-L169 HydrophobicContact CG2-CD2 3.61Å; M156-L169 WeakPolarHBondContact O-CB 3.42Å; M156-L169 PolarHBondContact O-N 3.31Å
170	R	95.7	Very high	90.7	Very high	87 Å²	87	83.1 Å²	83.1	33%	0.328	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149	169.4	74.6	-174.2	-173.8	-175.5	3.6	111.8	E110 W118	E110-R170 HydrophobicContact CB-CG 4.03Å; E110-R170 PolarHBondContact N-O 2.66Å; E110-R170 PolarHBondContact O-N 2.74Å; E110-R170 IonicContact OE2-CZ 2.82Å; E110-R170 IonicContact OE2-NE 3.2Å; E110-R170 PolarHBondContact OE2-NE 2.67Å; E110-R170 IonicContact OE2-NH2 2.74Å; E110-R170 PolarHBondContact OE2-NH2 2.91Å; W118-R170 HydrophobicContact CD2-CG 4.19Å; W118-R170 HydrophobicContact CE3-CB 4.34Å; W118-R170 HydrophobicContact CE3-CG 3.56Å; W118-R170 HydrophobicContact CH2-CB 3.97Å; W118-R170 HydrophobicContact CH2-CG 4.05Å; W118-R170 HydrophobicContact CZ3-CB 3.75Å; W118-R170 HydrophobicContact CZ3-CG 3.49Å; W118-R170 VanDerWaalsContact CZ3-CG 3.49Å
171	R	95.3	Very high	89.7	Confident	87 Å²	87	86.8 Å²	86.8	33%	0.328	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.4	165.6	-179.6	-178.2	172.4	-90.7	2.1	106.8	I107 W109 M156	I107-R171 VanDerWaalsContact CD1-NH2 3.29Å; I107-R171 HydrophobicContact CG2-CG 3.82Å; W109-R171 HydrophobicContact CD2-CB 4.02Å; W109-R171 HydrophobicContact CD2-CG 4.31Å; W109-R171 HydrophobicContact CE3-CB 3.95Å; W109-R171 HydrophobicContact CH2-CB 3.78Å; W109-R171 HydrophobicContact CH2-CG 4.34Å; W109-R171 HydrophobicContact CZ2-CB 3.79Å; W109-R171 HydrophobicContact CZ2-CG 3.85Å; W109-R171 HydrophobicContact CZ3-CB 3.85Å; M156-R171 HydrophobicContact CE-CB 4.39Å
172	R	93.7	Very high	88.5	Confident	73 Å²	73	82.4 Å²	82.4	28%	0.275	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.3	179	-169.5	163.6	64.7	76.3	7.6	109.2	V108 E110 D174	V108-R172 PolarHBondContact N-O 3.47Å; V108-R172 PolarHBondContact O-N 3.33Å; E110-R172 VanDerWaalsContact CD-NE 3.34Å; E110-R172 IonicContact OE1-CZ 2.99Å; E110-R172 VanDerWaalsContact OE1-CZ 3.32Å; E110-R172 IonicContact OE1-NE 3.76Å; E110-R172 PolarHBondContact OE1-NE 3.22Å; E110-R172 IonicContact OE1-NH2 2.74Å; E110-R172 PolarHBondContact OE1-NH2 2.81Å; E110-R172 IonicContact OE2-CZ 2.76Å; E110-R172 IonicContact OE2-NE 2.86Å; E110-R172 PolarHBondContact OE2-NE 2.74Å; R172-D174 IonicContact CZ-OD2 3.41Å; R172-D174 IonicContact NH1-OD1 3.12Å; R172-D174 IonicContact NH1-OD2 2.81Å; R172-D174 PolarHBondContact NH1-OD2 2.92Å; R172-D174 IonicContact NH2-OD2 2.91Å; R172-D174 PolarHBondContact NH2-OD2 3.48Å
173	L	91.8	Very high	86.6	Confident	119 Å²	119	79.6 Å²	79.6	62%	0.623	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	133.9	162.5	-75.2	161.8	0	0	0	107.4	I107	I107-L173 HydrophobicContact CG1-CD2 3.93Å
174	D	88.5	Confident	84.6	Confident	51 Å²	51	78 Å²	78	27%	0.273	37%	0.371	S	S	.	.			trans	-140.8	178.6	-174.6	-155.9	-15.1	0	0	0	108.3	G106 V108 R172 A176	G106-D174 PolarHBondContact O-N 2.65Å; V108-D174 HydrophobicContact CG2-CB 3.82Å; R172-D174 IonicContact CZ-OD2 3.41Å; R172-D174 IonicContact NH1-OD1 3.12Å; R172-D174 IonicContact NH1-OD2 2.81Å; R172-D174 PolarHBondContact NH1-OD2 2.92Å; R172-D174 IonicContact NH2-OD2 2.91Å; R172-D174 PolarHBondContact NH2-OD2 3.48Å; D174-A176 PolarHBondContact O-N 3.24Å
175	L	90.6	Very high	82.3	Confident	82 Å²	82	72.7 Å²	72.7	43%	0.429	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-55.8	135.3	168.7	-178	63	0	0	0	110	A42 T43	A42-L175 HydrophobicContact CB-CB 4.02Å; A42-L175 HydrophobicContact CB-CG 4.28Å; A42-L175 WeakPolarHBondContact CB-O 3.28Å; T43-L175 HydrophobicContact CG2-CD2 3.82Å
176	A	91.8	Very high	79.7	Confident	41 Å²	41	76 Å²	76	34%	0.339	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-61.3	148	171.4	0	0	0	0	0	110.6	H46 D174	H46-A176 PolarHBondContact CE1-O 2.92Å; H46-A176 VanDerWaalsContact CE1-O 3.23Å; D174-A176 PolarHBondContact O-N 3.24Å
177	Y	94.1	Very high	77	Confident	10 Å²	10	73.9 Å²	73.9	4%	0.039	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-74.8	151.4	177	-77.1	-102.9	0	0	0	111	V25 V27 Y40 A42 C45 P103 M123 L179	V25-Y177 VanDerWaalsContact CG1-CB 3.43Å; V27-Y177 HydrophobicContact CB-CD1 4.25Å; V27-Y177 HydrophobicContact CG1-CD1 4.11Å; V27-Y177 HydrophobicContact CG1-CE1 3.89Å; V27-Y177 HydrophobicContact CG2-CD1 3.76Å; V27-Y177 HydrophobicContact CG2-CE1 4.25Å; V27-Y177 HydrophobicContact CG2-CG 4.02Å; Y40-Y177 WeakPolarHBondContact O-CE1 3.48Å; Y40-Y177 PolarHBondContact O-OH 2.9Å; Y40-Y177 VanDerWaalsContact O-OH 3.04Å; A42-Y177 HydrophobicContact CB-CD1 4.14Å; A42-Y177 HydrophobicContact CB-CD2 3.91Å; A42-Y177 HydrophobicContact CB-CE1 4.21Å; A42-Y177 HydrophobicContact CB-CE2 3.98Å; A42-Y177 HydrophobicContact CB-CG 4.02Å; C45-Y177 HydrophobicContact CB-CD1 4.04Å; C45-Y177 HydrophobicContact CB-CE1 4.44Å; P103-Y177 HydrophobicContact CB-CD2 3.5Å; P103-Y177 VanDerWaalsContact CB-CD2 3.5Å; P103-Y177 HydrophobicContact CB-CE2 4.08Å; P103-Y177 HydrophobicContact CB-CG 3.91Å; P103-Y177 WeakPolarHBondContact O-CD2 3.28Å; P103-Y177 PolarHBondContact O-N 3Å; M123-Y177 HydrophobicContact CE-CD2 4.49Å; M123-Y177 HydrophobicContact CE-CE1 4.14Å; M123-Y177 HydrophobicContact CE-CE2 3.84Å; Y177-L179 PolarHBondContact O-N 3.42Å
178	P	93.2	Very high	74.3	Confident	6 Å²	6	77.4 Å²	77.4	4%	0.039	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-50	135.3	-174.7	-27	30.4	0	0	0	114.1	V25 V26 C45 H46 E49	V25-P178 CarbonylContact C-O 3.51Å; V25-P178 WeakPolarHBondContact CA-O 3.29Å; V26-P178 HydrophobicContact CB-CB 4.46Å; V26-P178 PolarHBondContact N-O 2.95Å; V26-P178 WeakPolarHBondContact O-CD 3.4Å; C45-P178 HydrophobicContact CB-CG 3.95Å; H46-P178 HydrophobicContact CB-CG 4.34Å; E49-P178 HydrophobicContact CB-CB 4.34Å; E49-P178 HydrophobicContact CB-CG 4.35Å; E49-P178 HydrophobicContact CG-CB 3.87Å; E49-P178 HydrophobicContact CG-CG 3.9Å
179	L	90.5	Very high	71.3	Confident	115 Å²	115	75.2 Å²	75.2	60%	0.602	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.6	171.5	-73.5	167.9	0	0	0	110.6	V25 P99 Y177	V25-L179 HydrophobicContact CG2-CD2 3.61Å; P99-L179 HydrophobicContact CB-CD2 4.31Å; P99-L179 HydrophobicContact CG-CD2 4.2Å; Y177-L179 PolarHBondContact O-N 3.42Å
180	T	84.7	Confident	68.1	Low	33 Å²	33	83.2 Å²	83.2	20%	0.202	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.2	171.9	-167.4	0	0	0	0	110.2	A23 R24 V26 F96 I184	A23-T180 WeakPolarHBondContact CA-O 3.32Å; R24-T180 HydrophobicContact CB-CG2 4.29Å; R24-T180 PolarHBondContact N-O 2.87Å; R24-T180 PolarHBondContact O-N 2.66Å; V26-T180 HydrophobicContact CG2-CG2 3.43Å; V26-T180 VanDerWaalsContact CG2-CG2 3.43Å; F96-T180 HydrophobicContact CD1-CG2 4.37Å; F96-T180 HydrophobicContact CE1-CG2 4.13Å; T180-I184 HydrophobicContact CG2-CD1 3.84Å
181	V	67.7	Low	65.1	Low	98 Å²	98	84 Å²	84	59%	0.594	46%	0.457	S	S	*	.			trans	-131.9	135.2	-179.8	-171.8	0	0	0	0	108.3	A23	A23-V181 HydrophobicContact CB-CG2 4.02Å
182	G	59.2	Low	62.2	Low	25 Å²	25	86.4 Å²	86.4	26%	0.258	48%	0.48	S	S	.	.	S	Bend	trans	144.1	178.6	-179.7	0	0	0	0	0	113.9	N21 I184	N21-G182 VanDerWaalsContact OD1-CA 3.29Å; N21-G182 WeakPolarHBondContact OD1-CA 3.39Å; N21-G182 PolarHBondContact OD1-N 3.35Å; G182-I184 PolarHBondContact O-N 3.39Å
183	S	43.3	Very low	58.9	Low	95 Å²	95	86 Å²	86	66%	0.664	50%	0.499	S	S	*	.			trans	-78.4	76.7	178.3	43.2	0	0	0	0	112.3
184	I	45.1	Very low	56.3	Low	59 Å²	59	85.2 Å²	85.2	30%	0.303	51%	0.51	S	S	.	.			trans	-69.2	129.6	179.2	-44.9	176.4	0	0	0	110.4	R24 F96 T180 G182	R24-I184 HydrophobicContact CB-CD1 4.13Å; R24-I184 HydrophobicContact CG-CD1 4.12Å; F96-I184 HydrophobicContact CD1-CD1 3.97Å; F96-I184 HydrophobicContact CE1-CD1 3.94Å; F96-I184 HydrophobicContact CE1-CG2 4.33Å; F96-I184 HydrophobicContact CE2-CG2 4.18Å; F96-I184 HydrophobicContact CZ-CG2 3.96Å; T180-I184 HydrophobicContact CG2-CD1 3.84Å; G182-I184 PolarHBondContact O-N 3.39Å
185	P	39.9	Very low	53.3	Low	64 Å²	64	88.7 Å²	88.7	42%	0.416	54%	0.538	S	S	.	.			trans	-56.3	141.2	168.7	-23.9	33.7	0	0	0	111.2	S187 W190	P185-S187 PolarHBondContact O-N 2.94Å; P185-W190 HydrophobicContact CB-CZ2 4.21Å
186	K	32.6	Very low	50.9	Low	201 Å²	201	90.9 Å²	90.9	87%	0.874	56%	0.561	S	S	*	*	S	Bend	trans	-45.9	129.6	177.3	-71.8	-179.4	178.3	176.8	0	110.3	Q188	K186-Q188 PolarHBondContact O-N 3.42Å
187	S	35.3	Very low	48	Very low	94 Å²	94	91.6 Å²	91.6	66%	0.657	57%	0.572	S	S	*	*	S	Bend	trans	-12.5	108	180	55.1	0	0	0	0	113.7	P185 S189	P185-S187 PolarHBondContact O-N 2.94Å; S187-S189 PolarHBondContact O-N 3.46Å
188	Q	36.8	Very low	45.3	Very low	126 Å²	126	100.6 Å²	100.6	59%	0.589	61%	0.614	S	S	*	*			trans	-70.8	66.9	-163	-65.6	-159.1	-2.8	0	0	115.3	K186 W190	K186-Q188 PolarHBondContact O-N 3.42Å; Q188-W190 HydrophobicContact CB-CG 4.42Å; Q188-W190 PolarHBondContact O-N 2.87Å; Q188-W190 VanDerWaalsContact O-N 3.13Å
189	S	30.7	Very low	42.7	Very low	107 Å²	107	105 Å²	105	75%	0.748	64%	0.643	S	S	*	*			trans	-79.4	56.5	153.2	64	0	0	0	0	109.7	S187	S187-S189 PolarHBondContact O-N 3.46Å
190	W	29.6	Very low	40.4	Very low	174 Å²	174	102.6 Å²	102.6	66%	0.659	64%	0.635	S	S	*	*			trans	-68.2	130.6	179.4	-79.3	128.9	0	0	0	110.9	P185 Q188	P185-W190 HydrophobicContact CB-CZ2 4.21Å; Q188-W190 HydrophobicContact CB-CG 4.42Å; Q188-W190 PolarHBondContact O-N 2.87Å; Q188-W190 VanDerWaalsContact O-N 3.13Å
191	P	33.9	Very low	38.5	Very low	105 Å²	105	106.3 Å²	106.3	68%	0.682	66%	0.662	S	S	*	*			trans	-65.2	156.1	153.2	-10.9	27.9	0	0	0	109.4	G193	P191-G193 PolarHBondContact O-N 3.02Å
192	V	34.2	Very low	37.3	Very low	136 Å²	136	104.5 Å²	104.5	82%	0.824	65%	0.653	S	S	*	*			trans	-63.5	111.2	175.2	-179	0	0	0	0	109.9
193	G	24.4	Very low	36.4	Very low	64 Å²	64	110.6 Å²	110.6	66%	0.66	68%	0.675	S	S	*	*			trans	-107.1	139.8	170.3	0	0	0	0	0	110.8	P191	P191-G193 PolarHBondContact O-N 3.02Å
194	A	37.2	Very low	36.4	Very low	104 Å²	104	113 Å²	113	86%	0.86	68%	0.676	S	S	*	*			trans	-79.7	140.6	177.7	0	0	0	0	0	111.2
195	S	25.8	Very low	36.3	Very low	123 Å²	123	112 Å²	112	86%	0.86	67%	0.674	S	S	*	*			trans	-148.9	138.7	168.1	-66.3	0	0	0	0	108.9
196	S	38.4	Very low	36.6	Very low	129 Å²	129	113.7 Å²	113.7	90%	0.902	68%	0.679	S	S	*	*			trans	-68.7	133.5	-168.2	39.6	0	0	0	0	113.3
197	G	32.5	Very low	37	Very low	56 Å²	56	110.1 Å²	110.1	58%	0.577	67%	0.668	S	S	*	*			trans	-175.1	128.5	166	0	0	0	0	0	108.2
198	Q	37.3	Very low	37.3	Very low	198 Å²	198	108.9 Å²	108.9	93%	0.925	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-64.1	132.2	-179.7	-74.8	178.1	-72.1	0	0	109.9
199	P	37.9	Very low	37.5	Very low	99 Å²	99	106.2 Å²	106.2	64%	0.643	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-72.5	141.6	-179.9	29.2	-34.1	0	0	0	111	S201	P199-S201 PolarHBondContact O-N 3.45Å
200	C	42.7	Very low	38	Very low	65 Å²	65	105.3 Å²	105.3	44%	0.439	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-47.1	123.9	163.2	164.2	0	0	0	0	110.8	C205	C200-C205 HydrophobicContact CB-CB 3.63Å; C200-C205 WeakPolarHBondContact CB-SG 3.4Å; C200-C205 WeakPolarHBondContact O-CB 3.29Å; C200-C205 WeakPolarHBondContact SG-CB 3.47Å; C200-C205 CovalentContact SG-SG 2.04Å; C200-C205 PolarHBondContact SG-SG 3.3Å
201	S	43.3	Very low	38.6	Very low	110 Å²	110	101.3 Å²	101.3	77%	0.769	64%	0.635	S	S	*	*			trans	-92.3	2.1	-173.8	53.2	0	0	0	0	114.7	P199	P199-S201 PolarHBondContact O-N 3.45Å
202	C	43.4	Very low	39	Very low	60 Å²	60	99.1 Å²	99.1	41%	0.405	61%	0.613	S	S	.	*	S	Bend	trans	-72.2	156.6	177.6	90.7	0	0	0	0	111.9	Q204 C205 L206	C202-Q204 PolarHBondContact O-N 3.32Å; C202-C205 WeakPolarHBondContact O-CB 3.39Å; C202-C205 PolarHBondContact O-N 3.19Å; C202-C205 VanDerWaalsContact O-N 3.14Å; C202-C205 PolarHBondContact SG-SG 3.31Å; C202-L206 PolarHBondContact O-N 2.81Å
203	Q	40.5	Very low	39.3	Very low	154 Å²	154	95.9 Å²	95.9	72%	0.72	60%	0.6	S	S	*	*	H	α-helix	trans	-64.4	-37.6	-171.6	-67.6	-172.7	-7.8	0	0	113.2	C205 L206 L207	Q203-C205 PolarHBondContact O-N 3.25Å; Q203-L206 PolarHBondContact O-N 3.48Å; Q203-L207 WeakPolarHBondContact O-CD1 3.36Å; Q203-L207 PolarHBondContact O-N 2.82Å
204	Q	43.1	Very low	39.9	Very low	145 Å²	145	94.7 Å²	94.7	68%	0.678	59%	0.585	S	S	*	*	H	α-helix	trans	-58.7	-44.6	172.1	-85.2	79.6	-4.3	0	0	112.7	C202 L206 L207 V208	C202-Q204 PolarHBondContact O-N 3.32Å; Q204-L206 VanDerWaalsContact C-N 3.27Å; Q204-L206 PolarHBondContact O-N 3.48Å; Q204-L207 PolarHBondContact O-N 2.89Å; Q204-V208 PolarHBondContact O-N 3.09Å
205	C	42.2	Very low	39.9	Very low	38 Å²	38	92.6 Å²	92.6	26%	0.257	56%	0.564	S	S	.	*	H	α-helix	trans	-61.2	-35	-179.5	-72.8	0	0	0	0	112.8	C200 C202 Q203 N209	C200-C205 HydrophobicContact CB-CB 3.63Å; C200-C205 WeakPolarHBondContact CB-SG 3.4Å; C200-C205 WeakPolarHBondContact O-CB 3.29Å; C200-C205 WeakPolarHBondContact SG-CB 3.47Å; C200-C205 CovalentContact SG-SG 2.04Å; C200-C205 PolarHBondContact SG-SG 3.3Å; C202-C205 WeakPolarHBondContact O-CB 3.39Å; C202-C205 PolarHBondContact O-N 3.19Å; C202-C205 VanDerWaalsContact O-N 3.14Å; C202-C205 PolarHBondContact SG-SG 3.31Å; Q203-C205 PolarHBondContact O-N 3.25Å; C205-N209 PolarHBondContact O-N 3Å; C205-N209 PolarHBondContact O-ND2 3.13Å
206	L	46.5	Very low	40.5	Very low	100 Å²	100	90.6 Å²	90.6	52%	0.524	54%	0.543	S	S	.	.	H	α-helix	trans	-69.7	-47.8	178.6	-72.5	164.2	0	0	0	111.7	C202 Q203 Q204 V208 N209 S210	C202-L206 PolarHBondContact O-N 2.81Å; Q203-L206 PolarHBondContact O-N 3.48Å; Q204-L206 VanDerWaalsContact C-N 3.27Å; Q204-L206 PolarHBondContact O-N 3.48Å; L206-V208 PolarHBondContact O-N 2.96Å; L206-N209 PolarHBondContact O-N 2.69Å; L206-S210 PolarHBondContact O-N 3.22Å; L206-S210 VanDerWaalsContact O-N 3.09Å; L206-S210 PolarHBondContact O-OG 2.84Å
207	L	42.1	Very low	40.7	Very low	126 Å²	126	87.7 Å²	87.7	66%	0.66	53%	0.527	S	S	*	.	H	α-helix	trans	-58.3	-43.9	178.6	-93.3	116.2	0	0	0	113	Q203 Q204 S210 T211	Q203-L207 WeakPolarHBondContact O-CD1 3.36Å; Q203-L207 PolarHBondContact O-N 2.82Å; Q204-L207 PolarHBondContact O-N 2.89Å; L207-S210 PolarHBondContact O-N 2.94Å; L207-T211 PolarHBondContact O-N 2.76Å; L207-T211 PolarHBondContact O-OG1 2.64Å
208	V	41.8	Very low	41.2	Very low	68 Å²	68	90 Å²	90	41%	0.412	53%	0.525	S	S	.	.	H	α-helix	trans	-68	-38.4	-178.7	176.8	0	0	0	0	111.7	Q204 L206 T211 R212	Q204-V208 PolarHBondContact O-N 3.09Å; L206-V208 PolarHBondContact O-N 2.96Å; V208-T211 PolarHBondContact O-N 2.99Å; V208-T211 PolarHBondContact O-OG1 2.39Å; V208-T211 VanDerWaalsContact O-OG1 3.12Å; V208-R212 WeakPolarHBondContact O-CB 3.16Å; V208-R212 PolarHBondContact O-N 2.59Å
209	N	39.2	Very low	41.3	Very low	70 Å²	70	85.3 Å²	85.3	37%	0.374	51%	0.506	S	S	.	.	H	α-helix	trans	-69.5	-32.4	176.5	-80.3	-36.9	0	0	0	112.6	C205 L206 R212 A213	C205-N209 PolarHBondContact O-N 3Å; C205-N209 PolarHBondContact O-ND2 3.13Å; L206-N209 PolarHBondContact O-N 2.69Å; N209-R212 PolarHBondContact O-N 3.08Å; N209-R212 PolarHBondContact OD1-NH1 2.82Å; N209-A213 PolarHBondContact O-N 2.8Å; N209-A213 VanDerWaalsContact O-N 3.13Å
210	S	41.5	Very low	41.3	Very low	87 Å²	87	83.4 Å²	83.4	61%	0.608	50%	0.499	S	S	*	.	H	α-helix	trans	-63.4	-44.4	173.6	-60.8	0	0	0	0	112.8	L206 L207	L206-S210 PolarHBondContact O-N 3.22Å; L206-S210 VanDerWaalsContact O-N 3.09Å; L206-S210 PolarHBondContact O-OG 2.84Å; L207-S210 PolarHBondContact O-N 2.94Å
211	T	42.7	Very low	41.1	Very low	91 Å²	91	84.3 Å²	84.3	56%	0.558	51%	0.505	S	S	*	.	H	α-helix	trans	-70.6	-38.5	175.6	38	0	0	0	0	112.5	L207 V208 A213 A214 S215	L207-T211 PolarHBondContact O-N 2.76Å; L207-T211 PolarHBondContact O-OG1 2.64Å; V208-T211 PolarHBondContact O-N 2.99Å; V208-T211 PolarHBondContact O-OG1 2.39Å; V208-T211 VanDerWaalsContact O-OG1 3.12Å; T211-A213 PolarHBondContact O-N 2.84Å; T211-A214 PolarHBondContact O-N 2.96Å; T211-A214 VanDerWaalsContact O-N 3.12Å; T211-S215 PolarHBondContact O-N 2.92Å
212	R	42.5	Very low	41	Very low	59 Å²	59	85.4 Å²	85.4	22%	0.223	50%	0.498	C	S	.	.	H	α-helix	trans	-57.9	-34.2	175.4	-172.1	-179.3	-75.7	161.6	-15.8	112.6	D75 V208 N209 N216	D75-R212 IonicContact OD1-NH2 2.74Å; D75-R212 PolarHBondContact OD1-NH2 2.74Å; D75-R212 IonicContact OD2-CZ 2.66Å; D75-R212 IonicContact OD2-NH2 3.12Å; D75-R212 PolarHBondContact OD2-NH2 3.43Å; V208-R212 WeakPolarHBondContact O-CB 3.16Å; V208-R212 PolarHBondContact O-N 2.59Å; N209-R212 PolarHBondContact O-N 3.08Å; N209-R212 PolarHBondContact OD1-NH1 2.82Å; R212-N216 PolarHBondContact O-ND2 3.32Å
213	A	40.3	Very low	40.9	Very low	67 Å²	67	94 Å²	94	55%	0.554	52%	0.522	S	S	*	.	H	α-helix	trans	-69.2	-39.5	175	0	0	0	0	0	113.3	N209 T211	N209-A213 PolarHBondContact O-N 2.8Å; N209-A213 VanDerWaalsContact O-N 3.13Å; T211-A213 PolarHBondContact O-N 2.84Å
214	A	37	Very low	40.9	Very low	40 Å²	40	94.6 Å²	94.6	33%	0.331	52%	0.518	S	S	.	.	H	α-helix	trans	-68.1	-48.3	-177.2	0	0	0	0	0	112.6	T211 N216 A217 I218	T211-A214 PolarHBondContact O-N 2.96Å; T211-A214 VanDerWaalsContact O-N 3.12Å; A214-N216 VanDerWaalsContact C-N 3.33Å; A214-N216 PolarHBondContact O-N 2.87Å; A214-A217 WeakPolarHBondContact O-CB 3.34Å; A214-A217 PolarHBondContact O-N 3.44Å; A214-A217 VanDerWaalsContact O-N 3.14Å; A214-I218 PolarHBondContact O-N 2.79Å
215	S	38	Very low	40.5	Very low	60 Å²	60	97 Å²	97	42%	0.42	53%	0.526	S	S	.	.	H	α-helix	trans	-59.2	-40.9	-178.2	-60.1	0	0	0	0	113.1	T211 A217 I218 L219	T211-S215 PolarHBondContact O-N 2.92Å; S215-A217 VanDerWaalsContact C-N 3.32Å; S215-A217 PolarHBondContact O-N 3.03Å; S215-I218 PolarHBondContact O-N 3.48Å; S215-L219 PolarHBondContact O-N 3.05Å
216	N	38.5	Very low	40	Very low	81 Å²	81	99.7 Å²	99.7	43%	0.433	55%	0.551	S	S	.	*	H	α-helix	trans	-65.9	-31.9	178.7	-77.5	-28.7	0	0	0	113	R212 A214 A220	R212-N216 PolarHBondContact O-ND2 3.32Å; A214-N216 VanDerWaalsContact C-N 3.33Å; A214-N216 PolarHBondContact O-N 2.87Å; N216-A220 PolarHBondContact O-N 3.17Å
217	A	41.3	Very low	39.5	Very low	68 Å²	68	100.7 Å²	100.7	56%	0.562	56%	0.563	S	S	*	*	H	α-helix	trans	-68.9	-33.4	175.6	0	0	0	0	0	112.6	A214 S215	A214-A217 WeakPolarHBondContact O-CB 3.34Å; A214-A217 PolarHBondContact O-N 3.44Å; A214-A217 VanDerWaalsContact O-N 3.14Å; S215-A217 VanDerWaalsContact C-N 3.32Å; S215-A217 PolarHBondContact O-N 3.03Å
218	I	42.8	Very low	39.3	Very low	104 Å²	104	100.8 Å²	100.8	53%	0.533	57%	0.571	S	S	.	*	H	α-helix	trans	-71.8	-49	-178.7	-64.5	163.7	0	0	0	110.8	A214 S215 A220 S221	A214-I218 PolarHBondContact O-N 2.79Å; S215-I218 PolarHBondContact O-N 3.48Å; I218-A220 VanDerWaalsContact C-N 3.31Å; I218-A220 PolarHBondContact O-N 3.48Å; I218-S221 VanDerWaalsContact O-CB 3.27Å; I218-S221 WeakPolarHBondContact O-CB 3.34Å; I218-S221 PolarHBondContact O-N 2.9Å; I218-S221 VanDerWaalsContact O-N 3.07Å
219	L	40.3	Very low	39.1	Very low	100 Å²	100	101.9 Å²	101.9	52%	0.524	59%	0.588	S	S	.	*	H	α-helix	trans	-58.1	-39.9	178.2	-84.8	158.6	0	0	0	112.8	S215 S221 Q222	S215-L219 PolarHBondContact O-N 3.05Å; L219-S221 PolarHBondContact O-N 2.81Å; L219-Q222 PolarHBondContact O-N 3.22Å
220	A	38	Very low	39	Very low	59 Å²	59	104.1 Å²	104.1	49%	0.488	61%	0.606	S	S	.	*	H	α-helix	trans	-67.5	-14.2	178.6	0	0	0	0	0	114.5	N216 I218	N216-A220 PolarHBondContact O-N 3.17Å; I218-A220 VanDerWaalsContact C-N 3.31Å; I218-A220 PolarHBondContact O-N 3.48Å
221	S	38.6	Very low	38.9	Very low	83 Å²	83	105.9 Å²	105.9	58%	0.58	62%	0.616	S	S	*	*	H	α-helix	trans	-84.8	-38.1	178.5	-167.4	0	0	0	0	112.5	I218 L219 R223	I218-S221 VanDerWaalsContact O-CB 3.27Å; I218-S221 WeakPolarHBondContact O-CB 3.34Å; I218-S221 PolarHBondContact O-N 2.9Å; I218-S221 VanDerWaalsContact O-N 3.07Å; L219-S221 PolarHBondContact O-N 2.81Å; S221-R223 PolarHBondContact O-N 3.14Å
222	Q	41.7	Very low	38.6	Very low	134 Å²	134	109.5 Å²	109.5	63%	0.626	63%	0.631	S	S	*	*	H	α-helix	trans	-70.3	-34.7	-170.8	-64.3	-179.5	-1.3	0	0	113.1	L219 R224	L219-Q222 PolarHBondContact O-N 3.22Å; Q222-R224 PolarHBondContact O-N 2.88Å
223	R	40	Very low	38.3	Very low	240 Å²	240	112.6 Å²	112.6	91%	0.906	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	0.6	-178.9	-77.5	-170.4	172.7	-167	-2.2	115.9	S221	S221-R223 PolarHBondContact O-N 3.14Å
224	R	41.4	Very low	38.1	Very low	166 Å²	166	117.5 Å²	117.5	63%	0.626	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	16.6	-172.9	-56.8	-170	-172.3	-138.8	-3	115.5	Q222	Q222-R224 PolarHBondContact O-N 2.88Å
225	K	34.3	Very low	38.1	Very low	197 Å²	197	120.9 Å²	120.9	86%	0.857	69%	0.693	S	S	*	*			trans	-123.6	40.4	-172.5	-81.6	-167.3	169.5	-172.1	0	115.3
226	A	31.9	Very low	38.1	Very low	93 Å²	93	123.7 Å²	123.7	77%	0.769	71%	0.71	S	S	*	*			trans	-124.7	124.9	170.5	0	0	0	0	0	110.5
227	P	35.6	Very low	38.3	Very low	121 Å²	121	125.6 Å²	125.6	79%	0.786	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-85.5	154.2	172	34.4	-33	0	0	0	111.8
228	P	38.8	Very low	38.2	Very low	128 Å²	128	128 Å²	128	83%	0.831	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-78.8	160.9	174.7	33.6	-35.4	0	0	0	112.6
229	A	36.1	Very low	37.8	Very low	92 Å²	92	128.8 Å²	128.8	76%	0.76	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-102.3	154	177.8	0	0	0	0	0	112.4
230	P	37.1	Very low	37.9	Very low	116 Å²	116	130.5 Å²	130.5	75%	0.753	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-82	160.2	178.8	34.2	-36	0	0	0	113.5
231	P	39.4	Very low	37.7	Very low	125 Å²	125	131.8 Å²	131.8	81%	0.812	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-80.7	164	177.1	34	-35.8	0	0	0	113.6
232	L	36.5	Very low	37.4	Very low	167 Å²	167	131.3 Å²	131.3	87%	0.874	79%	0.792	S	S	*	*			trans	-117.7	161.7	178.5	-72.2	172.6	0	0	0	112.4
233	P	36.9	Very low	37.2	Very low	123 Å²	123	131.3 Å²	131.3	80%	0.799	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-82.1	171.5	-172.4	-10.8	29.5	0	0	0	115.3
234	L	35.6	Very low	37.1	Very low	170 Å²	170	126.3 Å²	126.3	89%	0.89	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-88.4	152.6	179.4	-68	167.2	0	0	0	113.3
235	P	37.3	Very low	36.5	Very low	112 Å²	112	121.8 Å²	121.8	73%	0.727	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-90.3	162.1	177.6	36.5	-35.9	0	0	0	114.3
236	P	38.3	Very low	36.3	Very low	119 Å²	119	117.6 Å²	117.6	77%	0.773	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.1	166	178.2	34.7	-36.7	0	0	0	114.4
237	P	41.5	Very low	36.3	Very low	121 Å²	121	122 Å²	122	79%	0.786	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-84.3	160.5	-177.4	34.5	-36.8	0	0	0	114.8
238	P	39.3	Very low	35.9	Very low	118 Å²	118	120.7 Å²	120.7	77%	0.766	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-88.7	158.9	178.2	36.1	-35.9	0	0	0	114.2
239	P	35.3	Very low	35.2	Very low	121 Å²	121	121.3 Å²	121.3	79%	0.786	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.4	163.3	173.8	34.4	-35.8	0	0	0	113.4
240	P	42	Very low	34.7	Very low	136 Å²	136	128 Å²	128	88%	0.883	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-98.4	156	-172.3	37.7	-35.3	0	0	0	115.1
241	G	34.6	Very low	34.2	Very low	86 Å²	86	128 Å²	128	89%	0.887	83%	0.826	S	S	*	*			trans	140.5	103.2	160.7	0	0	0	0	0	115.5
242	G	31.1	Very low	33.4	Very low	72 Å²	72	127.3 Å²	127.3	74%	0.742	82%	0.824	S	S	*	*			trans	173.3	140.9	172	0	0	0	0	0	112.7
243	P	37.5	Very low	32.8	Very low	134 Å²	134	123.7 Å²	123.7	87%	0.87	82%	0.818	S	S	*	*			trans	-83.6	164.1	-166.3	-11.7	30.4	0	0	0	115.3
244	P	37.7	Very low	32.2	Very low	136 Å²	136	123.8 Å²	123.8	88%	0.883	82%	0.817	S	S	*	*			trans	-93.6	147.7	-168	36.1	-35.4	0	0	0	115.1
245	G	30.5	Very low	31.8	Very low	71 Å²	71	121.9 Å²	121.9	73%	0.732	80%	0.801	S	S	*	*			trans	-178.8	134	166.6	0	0	0	0	0	113.5
246	A	29.8	Very low	31.3	Very low	109 Å²	109	120.8 Å²	120.8	90%	0.901	80%	0.802	S	S	*	*			trans	61	115.9	172.7	0	0	0	0	0	118.6
247	L	30.9	Very low	30.6	Very low	184 Å²	184	118.3 Å²	118.3	96%	0.963	80%	0.798	S	S	*	*			trans	-55.6	152.3	178	-68.7	156	0	0	0	114.9
248	A	27.3	Very low	30	Very low	95 Å²	95	117.7 Å²	117.7	79%	0.785	80%	0.803	S	S	*	*			trans	-93.4	149.6	-175.7	0	0	0	0	0	114.9
249	V	25.6	Very low	29.4	Very low	141 Å²	141	115.8 Å²	115.8	86%	0.855	80%	0.797	S	S	*	*			trans	-129.3	128.8	149.2	179.4	0	0	0	0	108	P251	V249-P251 WeakPolarHBondContact O-CD 3.4Å
250	R	24.5	Very low	29	Very low	231 Å²	231	118.1 Å²	118.1	87%	0.872	80%	0.802	S	S	*	*			trans	-85.8	119.7	-179	-95.1	177	149.5	-164.1	-4.4	112.2
251	P	25.9	Very low	28.1	Very low	117 Å²	117	122.9 Å²	122.9	76%	0.76	80%	0.803	S	S	*	*			trans	-91.2	148.4	144.3	35.6	-31.4	0	0	0	109.9	V249	V249-P251 WeakPolarHBondContact O-CD 3.4Å
252	S	23.6	Very low	27.5	Very low	111 Å²	111	123.3 Å²	123.3	78%	0.776	80%	0.798	S	S	*	*			trans	-153.7	98.6	166.8	-73.1	0	0	0	0	110.3
253	A	24.2	Very low	27.3	Very low	91 Å²	91	124.4 Å²	124.4	75%	0.752	80%	0.8	S	S	*	*			trans	-96.6	141.6	170.9	0	0	0	0	0	110.9
254	T	24	Very low	27.9	Very low	124 Å²	124	123.7 Å²	123.7	76%	0.761	80%	0.796	S	S	*	*			trans	18.2	129.8	130.3	-20.4	0	0	0	0	120.6
255	F	26.3	Very low	27.2	Very low	130 Å²	130	123.4 Å²	123.4	57%	0.57	79%	0.791	S	S	*	*			trans	61.8	120.1	149.1	-101.5	-138.4	0	0	0	119.3	D141	D141-F255 WeakPolarHBondContact OD2-CE1 3.11Å
256	A	28	Very low	27	Very low	89 Å²	89	126.3 Å²	126.3	74%	0.736	79%	0.794	S	S	*	*				77.9	150.7	81.4	0	0	0	0	0	114
257	G	23.7	Very low	26.7	Very low	67 Å²	67	124.2 Å²	124.2	69%	0.691	78%	0.784	S	S	*	*			cis	165.9	-170.5	0.7	0	0	0	0	0	110.2
258	A	28.1	Very low	27.2	Very low	108 Å²	108	121.9 Å²	121.9	89%	0.893	78%	0.78	S	S	*	*			trans	69.3	158.6	173.2	0	0	0	0	0	117.3
259	A	26.3	Very low	27.1	Very low	78 Å²	78	121.9 Å²	121.9	65%	0.645	78%	0.779	S	S	*	*			cis	-169	140.1	-22.5	0	0	0	0	0	114.2
260	L	27.4	Very low	27.1	Very low	171 Å²	171	124.2 Å²	124.2	90%	0.895	78%	0.781	S	S	*	*			trans	61.3	-173	160.2	-52.5	169.3	0	0	0	115.5
261	W	22.5	Very low	27.2	Very low	235 Å²	235	118.5 Å²	118.5	89%	0.89	78%	0.777	S	S	*	*			cis	-155.4	168.5	8.1	37.8	-65.4	0	0	0	113.3
262	A	22.6	Very low	27.1	Very low	96 Å²	96	117.3 Å²	117.3	79%	0.793	78%	0.776	S	S	*	*			trans	79.8	161.2	164.6	0	0	0	0	0	121.2
263	A	26.4	Very low	28.2	Very low	94 Å²	94	117.8 Å²	117.8	78%	0.777	78%	0.777	S	S	*	*			trans	-162.4	-174.6	-176.2	0	0	0	0	0	108.4
264	P	49.6	Very low	29.4	Very low	120 Å²	120	118.9 Å²	118.9	78%	0.779	78%	0.776	S	S	*	*			cis	-127.2	-160.3	-12	43.3	-26.3	0	0	0	112.1
265	V	24.9	Very low	30.7	Very low	129 Å²	129	119 Å²	119	78%	0.782	78%	0.779	S	S	*	*			trans	170.3	148.7	137.9	149.6	0	0	0	0	112.9
266	T	25.9	Very low	30.7	Very low	132 Å²	132	116.5 Å²	116.5	81%	0.81	79%	0.791	S	S	*	*			trans	-3.7	149.5	173.4	57.3	0	0	0	0	121.6
267	G	23.3	Very low	30.6	Very low	66 Å²	66	117 Å²	117	68%	0.68	80%	0.795	S	S	*	*			cis	125.1	159.3	14.5	0	0	0	0	0	110.9
268	P	41.4	Very low	32	Very low	135 Å²	135	119.6 Å²	119.6	88%	0.877	80%	0.799	S	S	*	*			cis	-101.9	-125.4	13.2	24	-1.9	0	0	0	112.5
269	A	25.6	Very low	32.9	Very low	94 Å²	94	119.2 Å²	119.2	78%	0.777	79%	0.788	S	S	*	*			cis	-158.2	-154.2	6.9	0	0	0	0	0	113.8
270	E	24.9	Very low	32.9	Very low	190 Å²	190	127.3 Å²	127.3	89%	0.888	80%	0.801	S	S	*	*			trans	-95	171.2	-163.9	-94.2	169.3	102	0	0	115.8
271	S	25.8	Very low	32.9	Very low	112 Å²	112	124.5 Å²	124.5	78%	0.783	80%	0.796	S	S	*	*			cis	-152.1	174.3	9.5	48.4	0	0	0	0	113.1
272	A	24.2	Very low	33.8	Very low	91 Å²	91	119 Å²	119	75%	0.752	79%	0.791	S	S	*	*			trans	-159.9	-177.3	169.5	0	0	0	0	0	109.8
273	P	46.4	Very low	34	Very low	121 Å²	121	119.6 Å²	119.6	79%	0.786	79%	0.789	S	S	*	*			cis	-119.3	-118.6	-16.5	30	-5.1	0	0	0	109.3
274	P	50.1	Low	34.2	Very low	114 Å²	114	119.4 Å²	119.4	74%	0.74	79%	0.788	S	S	*	*			cis	-118	-95.6	-36.3	21.7	3.5	0	0	0	118.7
275	P	50.6	Low	33.7	Very low	126 Å²	126	119.9 Å²	119.9	82%	0.818	79%	0.791	S	S	*	*			trans	-137	170.4	-136.9	42.9	-22.6	0	0	0	120
276	G	26.5	Very low	33.7	Very low	79 Å²	79	117.6 Å²	117.6	81%	0.814	79%	0.794	S	S	*	*			trans	-174.6	148.6	165.8	0	0	0	0	0	115.1
277	A	27.2	Very low	33.7	Very low	99 Å²	99	115.4 Å²	115.4	82%	0.818	80%	0.797	S	S	*	*			trans	-168.9	-173.9	-179.1	0	0	0	0	0	111.1
278	P	52.5	Low	33.9	Very low	121 Å²	121	116.8 Å²	116.8	79%	0.786	80%	0.802	S	S	*	*			cis	-119.6	-36.5	-28.5	22.6	-11.9	0	0	0	123.5
279	P	47.1	Very low	33.6	Very low	100 Å²	100	116.1 Å²	116.1	65%	0.649	80%	0.798	S	S	*	*				-136.1	146.9	-123	38.1	-19.2	0	0	0	119.8
280	R	26.5	Very low	33.7	Very low	248 Å²	248	117.6 Å²	117.6	94%	0.936	80%	0.797	S	S	*	*			trans	176.7	154.2	130.9	-98.3	167.9	-169.7	-160.2	2.8	114.7
281	S	27.7	Very low	34.3	Very low	112 Å²	112	114.7 Å²	114.7	78%	0.783	80%	0.795	S	S	*	*			trans	-118.1	-174.6	162.9	-39.2	0	0	0	0	107.5
282	P	41.8	Very low	34.2	Very low	119 Å²	119	112.4 Å²	112.4	77%	0.773	79%	0.789	S	S	*	*			cis	-118.7	-162.4	12.3	27.4	-0.2	0	0	0	111.6
283	S	26.7	Very low	34.3	Very low	109 Å²	109	116.5 Å²	116.5	76%	0.762	79%	0.793	S	S	*	*			cis	-164.2	167.5	35.4	-56.6	0	0	0	0	114.6
284	A	28.9	Very low	33.2	Very low	91 Å²	91	117.3 Å²	117.3	75%	0.752	79%	0.79	S	S	*	*			trans	-102.6	-175.6	158	0	0	0	0	0	108.5
285	P	40.7	Very low	32.1	Very low	129 Å²	129	118 Å²	118	84%	0.838	79%	0.788	S	S	*	*			cis	-145.4	-173.9	13.9	45.5	-26.1	0	0	0	117.6
286	G	24	Very low	30.9	Very low	82 Å²	82	118.9 Å²	118.9	85%	0.845	79%	0.785	S	S	*	*			trans	104.5	149.1	145.3	0	0	0	0	0	117.9
287	G	25.6	Very low	30.8	Very low	86 Å²	86	121.8 Å²	121.8	89%	0.887	78%	0.781	S	S	*	*			trans	130.4	84.1	165.1	0	0	0	0	0	117.3
288	A	28.1	Very low	30.6	Very low	94 Å²	94	127.7 Å²	127.7	78%	0.777	78%	0.783	S	S	*	*			trans	-137.7	149.9	156.8	0	0	0	0	0	106.3
289	P	35.1	Very low	29.7	Very low	122 Å²	122	127.7 Å²	127.7	79%	0.792	78%	0.782	S	S	*	*			cis	-146.8	-168	48.4	41.4	-19.9	0	0	0	117.3
290	T	28.7	Very low	28.5	Very low	124 Å²	124	126 Å²	126	76%	0.761	78%	0.784	S	S	*	*			trans	-56	173	165.9	51.7	0	0	0	0	114.6
291	P	35.5	Very low	28.6	Very low	130 Å²	130	120.8 Å²	120.8	84%	0.844	78%	0.782	S	S	*	*			cis	-152.6	-172.9	30.4	44.5	-22.3	0	0	0	119.7
292	G	23.8	Very low	28.4	Very low	63 Å²	63	124.3 Å²	124.3	65%	0.649	79%	0.786	S	S	*	*			trans	166.8	101	164.1	0	0	0	0	0	112
293	Q	27	Very low	27.5	Very low	178 Å²	178	130.5 Å²	130.5	83%	0.832	79%	0.794	S	S	*	*				68.6	109.8	89.3	-70.5	-167.6	0.1	0	0	114.3
294	N	24.6	Very low	27.3	Very low	138 Å²	138	130.7 Å²	130.7	74%	0.738	79%	0.791	S	S	*	*				84.8	145.1	79.8	-73.7	-8	0	0	0	112.6
295	N	25.6	Very low	27.1	Very low	128 Å²	128	133 Å²	133	68%	0.684	80%	0.795	S	S	*	*			cis	-162.5	-172.3	5.4	-136.8	-36.3	0	0	0	113.3
296	L	25.8	Very low	26.3	Very low	145 Å²	145	132.4 Å²	132.4	76%	0.759	80%	0.795	S	S	*	*			trans	80.8	127	167.6	-45.1	-178.3	0	0	0	116.8
297	N	23.6	Very low	26.5	Very low	139 Å²	139	135 Å²	135	74%	0.743	79%	0.794	S	S	*	*				69.6	139.5	50.2	-75.8	-43.9	0	0	0	114.1
298	R	23.9	Very low	26.4	Very low	224 Å²	224	136.8 Å²	136.8	85%	0.845	79%	0.793	S	S	*	*			cis	165	170.6	-1.3	-174.6	167.9	-169.6	-155.2	3.8	104.2
299	P	34	Very low	26.2	Very low	120 Å²	120	136 Å²	136	78%	0.779	79%	0.786	S	S	*	*			cis	-109.4	-167.6	-4.2	21	5.3	0	0	0	112.2
300	G	22.2	Very low	26.1	Very low	66 Å²	66	142 Å²	142	68%	0.68	79%	0.793	S	S	*	*			cis	116.4	120.3	2.9	0	0	0	0	0	112.8
301	P	26.7	Very low	26.1	Very low	138 Å²	138	140.8 Å²	140.8	90%	0.896	80%	0.795	S	S	*	*				-138.1	172.9	111	39.4	-29.2	0	0	0	114.1
302	Q	23.6	Very low	26.1	Very low	185 Å²	185	139.8 Å²	139.8	86%	0.864	79%	0.792	S	S	*	*			trans	-93	157	-178.8	-61.7	173.6	-56.1	0	0	113
303	R	23.6	Very low	26.7	Very low	250 Å²	250	141 Å²	141	94%	0.943	78%	0.782	S	S	*	*			trans	-143.5	151.3	135.8	-148.6	170.1	-172.2	172.5	3.2	110.8
304	T	21.6	Very low	26.9	Very low	113 Å²	113	136.6 Å²	136.6	69%	0.693	77%	0.769	S	S	*	*			trans	-90.9	153.6	-166.8	37.4	0	0	0	0	114.2
305	T	25.5	Very low	27.2	Very low	138 Å²	138	136.6 Å²	136.6	85%	0.847	78%	0.776	S	S	*	*			trans	21.2	113.7	152	56.1	0	0	0	0	118.9
306	S	24.1	Very low	28	Very low	118 Å²	118	134.2 Å²	134.2	83%	0.825	78%	0.782	S	S	*	*			trans	-132.4	139.7	147.2	63.1	0	0	0	0	110.3	S308	S306-S308 PolarHBondContact O-N 2.78Å
307	V	27.1	Very low	28.6	Very low	137 Å²	137	129 Å²	129	83%	0.83	76%	0.756	S	S	*	*			trans	-74.3	117.8	176.1	176.6	0	0	0	0	107.7	A309	V307-A309 VanDerWaalsContact C-N 3.29Å; V307-A309 PolarHBondContact O-N 3.31Å
308	S	24.7	Very low	29.2	Very low	123 Å²	123	126.4 Å²	126.4	86%	0.86	75%	0.747	S	S	*	*			trans	-73.1	88.8	173.3	-162.6	0	0	0	0	109.2	S306	S306-S308 PolarHBondContact O-N 2.78Å
309	A	24.7	Very low	30.1	Very low	78 Å²	78	117.9 Å²	117.9	65%	0.645	73%	0.725	S	S	*	*			trans	-59.4	140.6	-179.2	0	0	0	0	0	110.8	V307 A311	V307-A309 VanDerWaalsContact C-N 3.29Å; V307-A309 PolarHBondContact O-N 3.31Å; A309-A311 VanDerWaalsContact C-N 3.34Å; A309-A311 PolarHBondContact O-N 3.34Å
310	R	32.4	Very low	30.2	Very low	248 Å²	248	116.3 Å²	116.3	94%	0.936	71%	0.709	S	S	*	*			trans	-66.2	90.6	176.1	-171.9	-175.8	-163.4	168.6	3.9	109	S312	R310-S312 PolarHBondContact O-N 3.3Å
311	A	28.4	Very low	31	Very low	97 Å²	97	117.1 Å²	117.1	80%	0.802	70%	0.703	S	S	*	*			trans	-55.8	101	-172.9	0	0	0	0	0	112	A309 I313	A309-A311 VanDerWaalsContact C-N 3.34Å; A309-A311 PolarHBondContact O-N 3.34Å; A311-I313 PolarHBondContact O-N 3.16Å
312	S	34.6	Very low	31.8	Very low	110 Å²	110	114.1 Å²	114.1	77%	0.769	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-73.6	117.5	173.8	49.2	0	0	0	0	109.3	R310	R310-S312 PolarHBondContact O-N 3.3Å
313	I	36.6	Very low	32.4	Very low	89 Å²	89	112.2 Å²	112.2	46%	0.456	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-63.1	128.8	174.9	-56.1	176.2	0	0	0	108.4	A311 V317	A311-I313 PolarHBondContact O-N 3.16Å; I313-V317 HydrophobicContact CG2-CB 3.96Å; I313-V317 HydrophobicContact CG2-CG1 4.5Å
314	P	32.5	Very low	33	Very low	84 Å²	84	106.3 Å²	106.3	55%	0.545	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-59.9	143.4	175.3	-24	34.3	0	0	0	112	G316 V317	P314-G316 PolarHBondContact O-N 3.41Å; P314-V317 HydrophobicContact CB-CG2 4.29Å; P314-V317 PolarHBondContact O-N 3.3Å
315	P	31.2	Very low	33.9	Very low	138 Å²	138	105.7 Å²	105.7	90%	0.896	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	128	173.3	-24	34.1	0	0	0	111.2
316	G	41.2	Very low	34.6	Very low	79 Å²	79	106 Å²	106	81%	0.814	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	106.2	-8.8	176	0	0	0	0	0	116.6	P314 P318	P314-G316 PolarHBondContact O-N 3.41Å; G316-P318 WeakPolarHBondContact O-CD 3.27Å
317	V	38.6	Very low	35.2	Very low	35 Å²	35	103.7 Å²	103.7	21%	0.212	64%	0.64	C	S	.	*	P	Polyproline II helix	trans	-82.5	119.2	180	-178.6	0	0	0	0	111.9	I313 P314 P349	I313-V317 HydrophobicContact CG2-CB 3.96Å; I313-V317 HydrophobicContact CG2-CG1 4.5Å; P314-V317 HydrophobicContact CB-CG2 4.29Å; P314-V317 PolarHBondContact O-N 3.3Å; V317-P349 WeakPolarHBondContact CG1-O 3.26Å; V317-P349 HydrophobicContact CG2-CG 4.33Å
318	P	37	Very low	36	Very low	85 Å²	85	104.6 Å²	104.6	55%	0.552	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-73.1	129.3	177.7	-16.8	32.3	0	0	0	112.5	G316	G316-P318 WeakPolarHBondContact O-CD 3.27Å
319	A	42.2	Very low	37	Very low	45 Å²	45	100.7 Å²	100.7	37%	0.372	63%	0.626	S	S	.	*	B	Isolated β-bridge	trans	-102.9	116.5	177	0	0	0	0	0	111.9	C351 T353	A319-C351 WeakPolarHBondContact CA-O 3.17Å; A319-C351 WeakPolarHBondContact CB-O 3.29Å; A319-T353 HydrophobicContact CB-CG2 4.4Å
320	L	35.1	Very low	37.9	Very low	87 Å²	87	102.7 Å²	102.7	46%	0.455	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-96.8	124.1	-176.3	-67.7	177.2	0	0	0	112	V322 L343 V350 C351 L352	L320-V322 PolarHBondContact O-N 2.86Å; L320-L343 HydrophobicContact CD1-CD1 4.07Å; L320-V350 HydrophobicContact CD1-CG1 4.27Å; L320-V350 HydrophobicContact CG-CG1 4.43Å; L320-C351 PolarHBondContact N-O 2.6Å; L320-L352 HydrophobicContact CB-CD2 4.06Å; L320-L352 WeakPolarHBondContact O-CD2 3.4Å
321	P	39.4	Very low	38.5	Very low	83 Å²	83	96.7 Å²	96.7	54%	0.539	62%	0.622	S	S	.	*			trans	-88.9	98.7	-173.7	33.2	-34.7	0	0	0	113.4	K323 T353	P321-K323 PolarHBondContact O-N 3.34Å; P321-T353 WeakPolarHBondContact CA-O 3.19Å
322	V	43.8	Very low	39.2	Very low	75 Å²	75	98 Å²	98	46%	0.455	61%	0.612	S	S	.	*			trans	-67.5	125.3	170.5	-173.1	0	0	0	0	110.4	L320 L352	L320-V322 PolarHBondContact O-N 2.86Å; V322-L352 HydrophobicContact CG2-CB 4.48Å; V322-L352 HydrophobicContact CG2-CD1 3.99Å; V322-L352 HydrophobicContact CG2-CD2 4.11Å; V322-L352 HydrophobicContact CG2-CG 4.42Å
323	K	37.3	Very low	39.9	Very low	144 Å²	144	96.6 Å²	96.6	63%	0.626	60%	0.6	S	S	*	*			trans	-108	136.5	175.1	-89.3	178.4	174.4	170.7	0	111.5	P321	P321-K323 PolarHBondContact O-N 3.34Å
324	N	35.2	Very low	40.2	Very low	126 Å²	126	95 Å²	95	67%	0.674	60%	0.6	S	S	*	*			trans	69.2	70.2	170.2	-59.4	4.3	0	0	0	117
325	L	39.8	Very low	40.9	Very low	100 Å²	100	95.7 Å²	95.7	52%	0.524	60%	0.599	S	S	.	*			trans	-100.9	101.2	149.2	-68.6	177.4	0	0	0	108.4	H332	L325-H332 HydrophobicContact CD2-CB 3.96Å
326	N	41.3	Very low	41.7	Very low	146 Å²	146	90.9 Å²	90.9	78%	0.781	57%	0.571	S	S	*	*			trans	-145.1	16.8	-176.6	-120.4	98.1	0	0	0	112.6
327	G	36.9	Very low	42.2	Very low	68 Å²	68	88.8 Å²	88.8	70%	0.701	55%	0.549	S	S	*	.	S	Bend	trans	-129.9	139.3	175.1	0	0	0	0	0	110.5	G329	G327-G329 PolarHBondContact O-N 3.43Å
328	T	43.9	Very low	42.8	Very low	157 Å²	157	92 Å²	92	96%	0.963	56%	0.563	S	S	*	*			trans	-86.1	97.9	-179.2	45.6	0	0	0	0	110.3
329	G	45	Very low	43.4	Very low	41 Å²	41	91.8 Å²	91.8	42%	0.423	56%	0.56	S	S	.	*			trans	-159.9	141	176.4	0	0	0	0	0	112.3	G327 V331	G327-G329 PolarHBondContact O-N 3.43Å; G329-V331 VanDerWaalsContact C-N 3.25Å; G329-V331 PolarHBondContact O-N 3.07Å
330	P	44.5	Very low	43.7	Very low	120 Å²	120	91 Å²	91	78%	0.779	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-18.8	-170.4	-22.9	34.4	0	0	0	115.8	P333	P330-P333 WeakPolarHBondContact O-CD 3.34Å
331	V	45.2	Very low	44.6	Very low	121 Å²	121	92.6 Å²	92.6	73%	0.733	56%	0.564	S	S	*	*	H	α-helix	trans	-80.8	-26.2	-164.6	-160.5	0	0	0	0	113.2	G329	G329-V331 VanDerWaalsContact C-N 3.25Å; G329-V331 PolarHBondContact O-N 3.07Å
332	H	42.5	Very low	45.1	Very low	124 Å²	124	95 Å²	95	57%	0.574	57%	0.571	S	S	*	*	H	α-helix	trans	-79.9	-36.7	-175.6	-105	-71.4	0	0	0	115.9	L325 A334 L335 A336	L325-H332 HydrophobicContact CD2-CB 3.96Å; H332-A334 VanDerWaalsContact C-N 3.26Å; H332-A334 PolarHBondContact O-N 2.52Å; H332-L335 PolarHBondContact O-N 2.99Å; H332-A336 PolarHBondContact O-N 3.47Å
333	P	49.4	Very low	45.4	Very low	81 Å²	81	94.7 Å²	94.7	53%	0.526	57%	0.567	S	S	.	*	H	α-helix	trans	-57.6	-37.6	171.4	-27.5	35.9	0	0	0	112.9	P330 L335 A336 G337	P330-P333 WeakPolarHBondContact O-CD 3.34Å; P333-L335 PolarHBondContact O-N 3.24Å; P333-A336 PolarHBondContact O-N 2.98Å; P333-G337 PolarHBondContact O-N 3.41Å
334	A	43.3	Very low	45.9	Very low	55 Å²	55	91.7 Å²	91.7	46%	0.455	56%	0.563	S	S	.	*	H	α-helix	trans	-61.1	-42.6	178.1	0	0	0	0	0	112.6	H332 A336 G337 M338	H332-A334 VanDerWaalsContact C-N 3.26Å; H332-A334 PolarHBondContact O-N 2.52Å; A334-A336 PolarHBondContact O-N 3.12Å; A334-G337 PolarHBondContact O-N 2.89Å; A334-M338 WeakPolarHBondContact O-CG 3.4Å; A334-M338 PolarHBondContact O-N 2.92Å
335	L	45.7	Very low	46.5	Very low	100 Å²	100	89.9 Å²	89.9	52%	0.524	57%	0.566	S	S	.	*	H	α-helix	trans	-66	-39.3	179	-159.2	81.1	0	0	0	112.1	H332 P333 M338 T339	H332-L335 PolarHBondContact O-N 2.99Å; P333-L335 PolarHBondContact O-N 3.24Å; L335-M338 HydrophobicContact CD1-CE 3.97Å; L335-T339 PolarHBondContact O-N 3.5Å; L335-T339 VanDerWaalsContact O-N 3.08Å; L335-T339 PolarHBondContact O-OG1 3.2Å
336	A	48.2	Very low	47.1	Very low	37 Å²	37	88.7 Å²	88.7	31%	0.306	57%	0.57	S	S	.	*	H	α-helix	trans	-67.3	-39.9	173.6	0	0	0	0	0	111.9	H332 P333 A334 T339 G340	H332-A336 PolarHBondContact O-N 3.47Å; P333-A336 PolarHBondContact O-N 2.98Å; A334-A336 PolarHBondContact O-N 3.12Å; A336-T339 PolarHBondContact O-N 3.49Å; A336-G340 PolarHBondContact O-N 2.74Å
337	G	51.6	Low	47.2	Very low	34 Å²	34	84.9 Å²	84.9	35%	0.351	57%	0.565	S	S	.	*	H	α-helix	trans	-60	-50.6	173.6	0	0	0	0	0	112.4	P333 A334 T339 G340 I341	P333-G337 PolarHBondContact O-N 3.41Å; A334-G337 PolarHBondContact O-N 2.89Å; G337-T339 VanDerWaalsContact C-N 3.32Å; G337-T339 PolarHBondContact O-N 3.13Å; G337-G340 PolarHBondContact O-N 3.12Å; G337-G340 VanDerWaalsContact O-N 3.1Å; G337-I341 VanDerWaalsContact O-CG1 3.29Å; G337-I341 WeakPolarHBondContact O-CG1 3.48Å; G337-I341 PolarHBondContact O-N 3.34Å
338	M	50.9	Low	47.5	Very low	103 Å²	103	87 Å²	87	51%	0.507	56%	0.56	S	S	.	*	H	α-helix	trans	-59.8	-40.1	176.3	-70.7	-173.7	-64	0	0	112.4	A334 L335 G340 I341 L342	A334-M338 WeakPolarHBondContact O-CG 3.4Å; A334-M338 PolarHBondContact O-N 2.92Å; L335-M338 HydrophobicContact CD1-CE 3.97Å; M338-G340 VanDerWaalsContact C-N 3.32Å; M338-G340 PolarHBondContact O-N 2.82Å; M338-I341 PolarHBondContact O-N 3.19Å; M338-L342 WeakPolarHBondContact O-CB 3.47Å; M338-L342 VanDerWaalsContact O-CG 3.28Å; M338-L342 WeakPolarHBondContact O-CG 3.46Å; M338-L342 PolarHBondContact O-N 2.81Å
339	T	50.8	Low	47.3	Very low	81 Å²	81	83.5 Å²	83.5	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-38.7	175.1	-49.7	0	0	0	0	111.7	L335 A336 G337 L343	L335-T339 PolarHBondContact O-N 3.5Å; L335-T339 VanDerWaalsContact O-N 3.08Å; L335-T339 PolarHBondContact O-OG1 3.2Å; A336-T339 PolarHBondContact O-N 3.49Å; G337-T339 VanDerWaalsContact C-N 3.32Å; G337-T339 PolarHBondContact O-N 3.13Å; T339-L343 WeakPolarHBondContact O-CG 3.44Å; T339-L343 PolarHBondContact O-N 2.66Å
340	G	48.2	Very low	47.3	Very low	28 Å²	28	83.8 Å²	83.8	29%	0.289	53%	0.534	S	S	.	.	H	α-helix	trans	-67.5	-45	174	0	0	0	0	0	113	A336 G337 M338 L342 L343 C344	A336-G340 PolarHBondContact O-N 2.74Å; G337-G340 PolarHBondContact O-N 3.12Å; G337-G340 VanDerWaalsContact O-N 3.1Å; M338-G340 VanDerWaalsContact C-N 3.32Å; M338-G340 PolarHBondContact O-N 2.82Å; G340-L342 PolarHBondContact O-N 2.74Å; G340-L343 PolarHBondContact O-N 3.16Å; G340-L343 VanDerWaalsContact O-N 3.15Å; G340-C344 PolarHBondContact O-N 3.18Å; G340-C344 PolarHBondContact O-SG 3.48Å; G340-C344 VanDerWaalsContact O-SG 3.37Å
341	I	53.8	Low	47.3	Very low	120 Å²	120	80.8 Å²	80.8	62%	0.615	52%	0.515	S	S	*	.	H	α-helix	trans	-61.8	-43.3	179.5	-69.2	162.3	0	0	0	111	G337 M338 L343 C344 A345	G337-I341 VanDerWaalsContact O-CG1 3.29Å; G337-I341 WeakPolarHBondContact O-CG1 3.48Å; G337-I341 PolarHBondContact O-N 3.34Å; M338-I341 PolarHBondContact O-N 3.19Å; I341-L343 VanDerWaalsContact C-N 3.25Å; I341-L343 PolarHBondContact O-N 2.88Å; I341-C344 PolarHBondContact O-N 2.66Å; I341-A345 PolarHBondContact O-N 3.21Å
342	L	50.6	Low	47.1	Very low	133 Å²	133	80.1 Å²	80.1	70%	0.696	51%	0.507	S	S	*	.	H	α-helix	trans	-64.2	-26.9	176.8	-72.5	168.3	0	0	0	113.3	M338 G340	M338-L342 WeakPolarHBondContact O-CB 3.47Å; M338-L342 VanDerWaalsContact O-CG 3.28Å; M338-L342 WeakPolarHBondContact O-CG 3.46Å; M338-L342 PolarHBondContact O-N 2.81Å; G340-L342 PolarHBondContact O-N 2.74Å
343	L	49.2	Very low	47.3	Very low	70 Å²	70	77.5 Å²	77.5	37%	0.366	50%	0.5	S	S	.	.	H	α-helix	trans	-84.8	-37.7	174.1	-71.1	168.6	0	0	0	112.2	L320 T339 G340 I341 A345 A346 V350	L320-L343 HydrophobicContact CD1-CD1 4.07Å; T339-L343 WeakPolarHBondContact O-CG 3.44Å; T339-L343 PolarHBondContact O-N 2.66Å; G340-L343 PolarHBondContact O-N 3.16Å; G340-L343 VanDerWaalsContact O-N 3.15Å; I341-L343 VanDerWaalsContact C-N 3.25Å; I341-L343 PolarHBondContact O-N 2.88Å; L343-A345 PolarHBondContact O-N 3.09Å; L343-A346 PolarHBondContact O-N 3Å; L343-A346 VanDerWaalsContact O-N 3.08Å; L343-V350 HydrophobicContact CB-CG2 4.23Å
344	C	48.7	Very low	47.1	Very low	80 Å²	80	82.1 Å²	82.1	54%	0.541	51%	0.507	S	S	.	.	H	α-helix	trans	-62.8	-29.1	172.4	-70.8	0	0	0	0	112.6	G340 I341 A346 G347	G340-C344 PolarHBondContact O-N 3.18Å; G340-C344 PolarHBondContact O-SG 3.48Å; G340-C344 VanDerWaalsContact O-SG 3.37Å; I341-C344 PolarHBondContact O-N 2.66Å; C344-A346 PolarHBondContact O-N 3.18Å; C344-A346 VanDerWaalsContact O-N 3.16Å; C344-G347 PolarHBondContact O-N 3.12Å
345	A	48.1	Very low	47.4	Very low	89 Å²	89	82 Å²	82	74%	0.736	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.3	173.1	0	0	0	0	0	113.8	I341 L343	I341-A345 PolarHBondContact O-N 3.21Å; L343-A345 PolarHBondContact O-N 3.09Å
346	A	51	Low	48	Very low	74 Å²	74	82.7 Å²	82.7	61%	0.612	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	10.6	172.6	0	0	0	0	0	113.7	L343 C344 L348	L343-A346 PolarHBondContact O-N 3Å; L343-A346 VanDerWaalsContact O-N 3.08Å; C344-A346 PolarHBondContact O-N 3.18Å; C344-A346 VanDerWaalsContact O-N 3.16Å; A346-L348 VanDerWaalsContact C-N 3.29Å; A346-L348 PolarHBondContact O-N 3.22Å
347	G	43.5	Very low	49.1	Very low	66 Å²	66	88 Å²	88	68%	0.68	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	5.9	174.6	0	0	0	0	0	116.1	C344	C344-G347 PolarHBondContact O-N 3.12Å
348	L	43.4	Very low	50.3	Low	112 Å²	112	89.3 Å²	89.3	59%	0.586	53%	0.534	S	S	*	.			trans	-98.2	127.3	-178.4	-66.2	175.1	0	0	0	111.8	A346	A346-L348 VanDerWaalsContact C-N 3.29Å; A346-L348 PolarHBondContact O-N 3.22Å
349	P	40.6	Very low	51.9	Low	84 Å²	84	88.5 Å²	88.5	55%	0.545	53%	0.531	S	S	.	.			trans	-70.5	140.1	170.8	30	-33.7	0	0	0	110.5	V317	V317-P349 WeakPolarHBondContact CG1-O 3.26Å; V317-P349 HydrophobicContact CG2-CG 4.33Å
350	V	44.1	Very low	53.4	Low	48 Å²	48	88.2 Å²	88.2	29%	0.291	53%	0.526	S	S	.	.			trans	-129.6	122.7	-179.7	-176.7	0	0	0	0	110.5	L320 L343 L352	L320-V350 HydrophobicContact CD1-CG1 4.27Å; L320-V350 HydrophobicContact CG-CG1 4.43Å; L343-V350 HydrophobicContact CB-CG2 4.23Å; V350-L352 HydrophobicContact CG1-CD2 4.03Å
351	C	44.6	Very low	55.2	Low	57 Å²	57	92.2 Å²	92.2	39%	0.385	54%	0.537	S	S	.	.	B	Isolated β-bridge	trans	-101.4	121.3	174.3	-77	0	0	0	0	111.1	A319 L320	A319-C351 WeakPolarHBondContact CA-O 3.17Å; A319-C351 WeakPolarHBondContact CB-O 3.29Å; L320-C351 PolarHBondContact N-O 2.6Å
352	L	40.4	Very low	56.7	Low	106 Å²	106	87.2 Å²	87.2	56%	0.555	51%	0.513	S	S	*	.			trans	-90.8	108.4	179.5	-56.1	178.5	0	0	0	110.5	L320 V322 V350	L320-L352 HydrophobicContact CB-CD2 4.06Å; L320-L352 WeakPolarHBondContact O-CD2 3.4Å; V322-L352 HydrophobicContact CG2-CB 4.48Å; V322-L352 HydrophobicContact CG2-CD1 3.99Å; V322-L352 HydrophobicContact CG2-CD2 4.11Å; V322-L352 HydrophobicContact CG2-CG 4.42Å; V350-L352 HydrophobicContact CG1-CD2 4.03Å
353	T	46.6	Very low	58.3	Low	70 Å²	70	84 Å²	84	43%	0.429	50%	0.5	S	S	.	.			trans	-115.9	142.6	-177.7	60.9	0	0	0	0	112.9	A319 P321	A319-T353 HydrophobicContact CB-CG2 4.4Å; P321-T353 WeakPolarHBondContact CA-O 3.19Å
354	R	44.8	Very low	60	Low	178 Å²	178	87.1 Å²	87.1	67%	0.672	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-87.3	129.8	-177.2	-164.5	178.4	-165.1	163.9	8.4	110.9
355	A	49.7	Very low	61.6	Low	53 Å²	53	85 Å²	85	44%	0.438	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-56.2	138.2	176.2	0	0	0	0	0	111.9
356	P	59.3	Low	63.2	Low	113 Å²	113	83 Å²	83	73%	0.734	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-64.9	152	-177.5	26.7	-34.6	0	0	0	112.1
357	K	71.4	Confident	64.4	Low	150 Å²	150	89.2 Å²	89.2	65%	0.652	50%	0.502	S	S	*	.			trans	-105.4	146.5	176.7	-64.7	179.1	178.9	179.3	0	110	I359	K357-I359 PolarHBondContact O-N 3.43Å
358	P	76.6	Confident	65.9	Low	60 Å²	60	91 Å²	91	39%	0.39	50%	0.504	S	S	.	.			trans	-63.6	132.1	171.5	26.7	-34	0	0	0	111.1	L360 E587 L592	P358-L360 VanDerWaalsContact C-N 3.33Å; P358-L360 HydrophobicContact CB-CD2 4.32Å; P358-L360 HydrophobicContact CB-CG 4.39Å; P358-L360 PolarHBondContact O-N 2.72Å; P358-L360 VanDerWaalsContact O-N 3.17Å; P358-E587 WeakPolarHBondContact CB-OE1 3.47Å; P358-L592 HydrophobicContact CB-CB 4.29Å; P358-L592 HydrophobicContact CB-CD1 4.35Å
359	I	83.9	Confident	67.5	Low	87 Å²	87	88.9 Å²	88.9	45%	0.446	49%	0.494	S	S	.	.			trans	-90.4	74.3	178.9	-54.4	177.7	0	0	0	107.9	K357 H361 F588 G589 S590	K357-I359 PolarHBondContact O-N 3.43Å; I359-H361 WeakPolarHBondContact CG2-O 3.38Å; I359-H361 PolarHBondContact O-N 3.05Å; I359-F588 WeakPolarHBondContact O-CA 3.34Å; I359-F588 PolarHBondContact O-N 2.76Å; I359-G589 PolarHBondContact O-N 3.08Å; I359-S590 PolarHBondContact N-OG 3.46Å
360	L	82.4	Confident	69.5	Low	74 Å²	74	87.4 Å²	87.4	39%	0.387	48%	0.483	S	S	.	.			trans	-63.9	-25.9	-176.7	-64	175.4	0	0	0	113.6	P358 Y539 E587 T593	P358-L360 VanDerWaalsContact C-N 3.33Å; P358-L360 HydrophobicContact CB-CD2 4.32Å; P358-L360 HydrophobicContact CB-CG 4.39Å; P358-L360 PolarHBondContact O-N 2.72Å; P358-L360 VanDerWaalsContact O-N 3.17Å; L360-Y539 WeakPolarHBondContact O-CE2 3.44Å; L360-Y539 PolarHBondContact O-OH 2.94Å; L360-E587 HydrophobicContact CD2-CB 4.13Å; L360-E587 HydrophobicContact CD2-CG 4.1Å; L360-T593 HydrophobicContact CD2-CG2 4.4Å
361	H	86.1	Confident	71.5	Confident	112 Å²	112	90.8 Å²	90.8	52%	0.519	49%	0.494	S	S	.	.	S	Bend	trans	-127.6	148.3	-175.5	-59.3	-53.9	0	0	0	111.4	I359 Y539	I359-H361 WeakPolarHBondContact CG2-O 3.38Å; I359-H361 PolarHBondContact O-N 3.05Å; H361-Y539 PolarHBondContact ND1-OH 3.38Å
362	P	85.1	Confident	73.5	Confident	16 Å²	16	93.3 Å²	93.3	10%	0.104	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-62.2	167	167.3	30.3	-38.2	0	0	0	111.3	I494 Y539 F588	P362-I494 HydrophobicContact CB-CD1 3.69Å; P362-I494 HydrophobicContact CG-CD1 3.61Å; P362-Y539 WeakPolarHBondContact CD-OH 3.42Å; P362-Y539 HydrophobicContact CG-CE1 4.4Å; P362-F588 HydrophobicContact CB-CD1 4.01Å; P362-F588 HydrophobicContact CB-CD2 4Å; P362-F588 HydrophobicContact CB-CE1 4Å; P362-F588 HydrophobicContact CB-CE2 3.99Å; P362-F588 HydrophobicContact CB-CG 4.04Å; P362-F588 HydrophobicContact CB-CZ 4.01Å; P362-F588 HydrophobicContact CG-CD2 4.49Å
363	P	85.1	Confident	75.6	Confident	66 Å²	66	88.5 Å²	88.5	43%	0.429	49%	0.485	S	S	.	.	S	Bend	trans	-51.7	160.2	165.1	-23.5	33.1	0	0	0	112.8	V365	P363-V365 WeakPolarHBondContact O-CG2 3.25Å; P363-V365 PolarHBondContact O-N 2.76Å
364	P	84.4	Confident	77.3	Confident	135 Å²	135	88.9 Å²	88.9	88%	0.877	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-58.4	128.5	174.8	-23.6	34.8	0	0	0	111.8
365	V	82.6	Confident	78.8	Confident	35 Å²	35	84 Å²	84	21%	0.212	49%	0.494	C	S	.	.			trans	-111.7	132.1	-179	-173.2	0	0	0	0	108.8	P363 D369 V370 I494 P495	P363-V365 WeakPolarHBondContact O-CG2 3.25Å; P363-V365 PolarHBondContact O-N 2.76Å; V365-D369 HydrophobicContact CG1-CB 3.77Å; V365-V370 HydrophobicContact CG1-CG2 4.04Å; V365-I494 HydrophobicContact CG1-CG2 4.3Å; V365-I494 HydrophobicContact CG2-CB 4.05Å; V365-I494 HydrophobicContact CG2-CG2 4.01Å; V365-P495 HydrophobicContact CG1-CG 4.2Å
366	S	80.8	Confident	80	Confident	47 Å²	47	82.3 Å²	82.3	33%	0.329	48%	0.477	S	S	.	.			trans	-71.7	157.8	175.8	84.1	0	0	0	0	110.9	S368 D369	S366-S368 PolarHBondContact O-N 2.89Å; S366-S368 PolarHBondContact OG-N 2.74Å; S366-S368 PolarHBondContact OG-OG 2.85Å; S366-D369 WeakPolarHBondContact CB-OD2 3.21Å; S366-D369 PolarHBondContact N-OD2 2.88Å; S366-D369 VanDerWaalsContact N-OD2 3.16Å; S366-D369 PolarHBondContact O-N 3.48Å; S366-D369 PolarHBondContact OG-N 2.78Å; S366-D369 PolarHBondContact OG-OD2 3.36Å
367	K	76.8	Confident	80.5	Confident	205 Å²	205	82.6 Å²	82.6	89%	0.891	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.3	176.2	-69.7	-176.7	-179.4	175.9	0	112.7
368	S	75.3	Confident	79.9	Confident	103 Å²	103	78.3 Å²	78.3	72%	0.72	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-27.7	177	21.6	0	0	0	0	113.7	S366 V370	S366-S368 PolarHBondContact O-N 2.89Å; S366-S368 PolarHBondContact OG-N 2.74Å; S366-S368 PolarHBondContact OG-OG 2.85Å; S368-V370 VanDerWaalsContact C-N 3.3Å
369	D	77.9	Confident	78.9	Confident	68 Å²	68	78.2 Å²	78.2	36%	0.364	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.1	178.9	-50.5	-49.4	0	0	0	113	V365 S366 K371 P495	V365-D369 HydrophobicContact CG1-CB 3.77Å; S366-D369 WeakPolarHBondContact CB-OD2 3.21Å; S366-D369 PolarHBondContact N-OD2 2.88Å; S366-D369 VanDerWaalsContact N-OD2 3.16Å; S366-D369 PolarHBondContact O-N 3.48Å; S366-D369 PolarHBondContact OG-N 2.78Å; S366-D369 PolarHBondContact OG-OD2 3.36Å; D369-K371 PolarHBondContact O-N 3.04Å; D369-P495 HydrophobicContact CB-CG 3.96Å
370	V	82.5	Confident	77.6	Confident	52 Å²	52	75.2 Å²	75.2	32%	0.315	46%	0.462	S	S	.	.			trans	-77.6	104.1	-179.6	171.6	0	0	0	0	109.8	V365 S368 H492	V365-V370 HydrophobicContact CG1-CG2 4.04Å; S368-V370 VanDerWaalsContact C-N 3.3Å; V370-H492 HydrophobicContact CG1-CB 3.68Å; V370-H492 VanDerWaalsContact CG1-CD2 3.45Å; V370-H492 WeakPolarHBondContact CG1-CD2 3.26Å
371	K	85.7	Confident	76	Confident	119 Å²	119	79.3 Å²	79.3	52%	0.517	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-102.7	149.6	-178.9	-62	-177.3	-176.4	-177.1	0	111.4	D369 L493	D369-K371 PolarHBondContact O-N 3.04Å; K371-L493 HydrophobicContact CB-CB 4.3Å; K371-L493 PolarHBondContact N-O 3.3Å; K371-L493 PolarHBondContact O-N 3.23Å
372	P	85.9	Confident	74.1	Confident	111 Å²	111	82.8 Å²	82.8	72%	0.721	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-63.1	156.2	170.1	28.7	-35.3	0	0	0	110.9	P374 L493	P372-P374 WeakPolarHBondContact O-CD 3.4Å; P372-L493 WeakPolarHBondContact O-CD1 3.21Å
373	V	85.6	Confident	72.1	Confident	5 Å²	5	85.5 Å²	85.5	3%	0.03	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-81.3	124.1	176.1	-176.3	0	0	0	0	109.7	G375 V376 F491 L493 I507 R547 L550	V373-G375 PolarHBondContact O-N 2.8Å; V373-V376 HydrophobicContact CG1-CG2 4.27Å; V373-V376 PolarHBondContact O-N 3.07Å; V373-F491 HydrophobicContact CB-CD2 4.26Å; V373-F491 HydrophobicContact CB-CE2 4.36Å; V373-F491 HydrophobicContact CG2-CD2 3.77Å; V373-F491 HydrophobicContact CG2-CE2 4.35Å; V373-L493 HydrophobicContact CG2-CD2 3.99Å; V373-L493 HydrophobicContact CG2-CG 4.05Å; V373-I507 HydrophobicContact CG1-CD1 4.21Å; V373-I507 HydrophobicContact CG1-CG1 4.26Å; V373-I507 HydrophobicContact CG2-CG1 4.19Å; V373-I507 HydrophobicContact CG2-CG2 4.18Å; V373-R547 HydrophobicContact CG1-CG 4.24Å; V373-L550 HydrophobicContact CB-CD2 4.1Å; V373-L550 HydrophobicContact CG1-CD2 3.79Å; V373-L550 HydrophobicContact CG2-CD2 4.03Å
374	P	82.1	Confident	70.1	Confident	77 Å²	77	91.4 Å²	91.4	50%	0.5	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	134.5	179	-27.5	34.9	0	0	0	113.1	P372 V376	P372-P374 WeakPolarHBondContact O-CD 3.4Å; P374-V376 VanDerWaalsContact C-N 3.33Å; P374-V376 PolarHBondContact O-N 2.92Å
375	G	74.8	Confident	68.1	Low	77 Å²	77	92.2 Å²	92.2	79%	0.794	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	15.5	175.2	0	0	0	0	0	115.7	V373	V373-G375 PolarHBondContact O-N 2.8Å
376	V	75.6	Confident	66.1	Low	16 Å²	16	100.2 Å²	100.2	10%	0.097	54%	0.543	C	S	.	.	S	Bend	trans	-133.8	119.1	178.3	-170.6	0	0	0	0	110.4	V373 P374 G378 F491 L550 R551 I554	V373-V376 HydrophobicContact CG1-CG2 4.27Å; V373-V376 PolarHBondContact O-N 3.07Å; P374-V376 VanDerWaalsContact C-N 3.33Å; P374-V376 PolarHBondContact O-N 2.92Å; V376-G378 PolarHBondContact O-N 2.82Å; V376-F491 HydrophobicContact CB-CE2 4.18Å; V376-F491 HydrophobicContact CB-CZ 4.45Å; V376-F491 HydrophobicContact CG1-CE2 3.8Å; V376-F491 HydrophobicContact CG1-CZ 3.63Å; V376-L550 HydrophobicContact CB-CD2 4.42Å; V376-L550 HydrophobicContact CG1-CD2 4.26Å; V376-L550 HydrophobicContact CG2-CD2 4.15Å; V376-R551 HydrophobicContact CG2-CG 4.16Å; V376-I554 HydrophobicContact CG1-CD1 3.37Å
377	P	69.2	Low	64.3	Low	119 Å²	119	102.7 Å²	102.7	77%	0.773	55%	0.55	S	S	*	.			trans	-67.3	131.5	-178.1	27.7	-34.2	0	0	0	111.2	F491	P377-F491 WeakPolarHBondContact O-CZ 3.48Å
378	G	59.5	Low	62.6	Low	60 Å²	60	97.9 Å²	97.9	62%	0.619	53%	0.533	S	S	*	.			trans	-76.3	144.4	-165	0	0	0	0	0	115.9	V376	V376-G378 PolarHBondContact O-N 2.82Å
379	V	56.1	Low	61	Low	59 Å²	59	103.1 Å²	103.1	36%	0.358	54%	0.543	S	S	.	.			trans	65.9	90.4	161.9	-179.8	0	0	0	0	115.3	R381 E490	V379-R381 HydrophobicContact CG1-CG 3.61Å; V379-R381 VanDerWaalsContact CG1-NE 3.27Å; V379-R381 PolarHBondContact O-N 3.32Å; V379-R381 VanDerWaalsContact O-N 3.1Å; V379-E490 HydrophobicContact CB-CG 4.45Å; V379-E490 HydrophobicContact CG1-CG 3.88Å; V379-E490 HydrophobicContact CG2-CG 4.06Å
380	C	56.5	Low	59.9	Low	23 Å²	23	105.7 Å²	105.7	16%	0.155	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.4	90	176.4	-167.2	0	0	0	0	111.3	M489	C380-M489 PolarHBondContact N-O 2.82Å
381	R	47.8	Very low	58.5	Low	160 Å²	160	105.9 Å²	105.9	60%	0.604	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.5	125.4	178.4	-78.5	173	-173.2	-171.9	7	112.2	V379 K488 E490	V379-R381 HydrophobicContact CG1-CG 3.61Å; V379-R381 VanDerWaalsContact CG1-NE 3.27Å; V379-R381 PolarHBondContact O-N 3.32Å; V379-R381 VanDerWaalsContact O-N 3.1Å; R381-K488 HydrophobicContact CG-CG 4.34Å; R381-E490 IonicContact CZ-OE1 3.85Å; R381-E490 IonicContact NE-OE1 2.75Å; R381-E490 PolarHBondContact NE-OE1 2.98Å; R381-E490 IonicContact NH2-OE1 3.9Å; R381-E490 PolarHBondContact NH2-OE1 3.48Å
382	K	46.2	Very low	57.4	Low	185 Å²	185	104.2 Å²	104.2	80%	0.804	55%	0.547	S	S	*	.			trans	64.5	111.2	173.5	-60.2	176.2	179	171	0	116.6
383	T	43.1	Very low	57.1	Low	74 Å²	74	102.5 Å²	102.5	45%	0.454	53%	0.532	S	S	.	.			trans	-98.9	84.6	146.4	43	0	0	0	0	110.1
384	K	44.6	Very low	57	Low	189 Å²	189	103.4 Å²	103.4	82%	0.822	54%	0.538	S	S	*	.			trans	-53.4	142.4	153.5	-105	-169.4	177.2	-175.1	0	106.9	K386	K384-K386 VanDerWaalsContact C-N 3.29Å; K384-K386 PolarHBondContact O-N 3.47Å
385	K	42.1	Very low	57.1	Low	152 Å²	152	101.8 Å²	101.8	66%	0.661	52%	0.524	S	S	*	.			trans	-49.7	78.5	-171.4	-161.3	-177.3	-165.8	178.3	0	113.7	H387	K385-H387 PolarHBondContact O-N 2.91Å
386	K	40.4	Very low	57.7	Low	203 Å²	203	101.3 Å²	101.3	88%	0.883	50%	0.503	S	S	*	.			trans	-77.9	64.1	174.6	-162	178.4	-174.2	-178.2	0	108.3	K384 L388	K384-K386 VanDerWaalsContact C-N 3.29Å; K384-K386 PolarHBondContact O-N 3.47Å; K386-L388 PolarHBondContact O-N 3.27Å
387	H	41.7	Very low	58.2	Low	99 Å²	99	100.5 Å²	100.5	46%	0.458	50%	0.498	S	S	.	.			trans	-58.7	101.7	175.8	-129.5	-131.2	0	0	0	107.1	K385 K389 K392	K385-H387 PolarHBondContact O-N 2.91Å; H387-K389 PolarHBondContact O-N 3.16Å; H387-K389 VanDerWaalsContact O-N 3.1Å; H387-K392 PolarHBondContact NE2-NZ 3.07Å
388	L	41.5	Very low	59.2	Low	105 Å²	105	94.9 Å²	94.9	55%	0.55	46%	0.462	S	S	.	.			trans	-57.8	118.7	173.5	-173.3	64.4	0	0	0	106.9	K386 K390	K386-L388 PolarHBondContact O-N 3.27Å; L388-K390 HydrophobicContact CD2-CD 3.86Å; L388-K390 HydrophobicContact CD2-CG 4.44Å; L388-K390 HydrophobicContact CG-CD 4.23Å; L388-K390 HydrophobicContact CG-CG 4.27Å; L388-K390 PolarHBondContact O-N 3.37Å
389	K	42.1	Very low	60.6	Low	212 Å²	212	97.3 Å²	97.3	92%	0.922	45%	0.452	S	S	*	.	S	Bend	trans	-70.7	65.7	-176	-76	-172.7	173.5	-176.2	0	111.4	H387	H387-K389 PolarHBondContact O-N 3.16Å; H387-K389 VanDerWaalsContact O-N 3.1Å
390	K	54.9	Low	62.2	Low	123 Å²	123	99 Å²	99	54%	0.535	45%	0.452	S	S	.	.	S	Bend	trans	-115.7	140.4	167.1	-67.6	178.7	-178.2	175.6	0	107	L388 K392	L388-K390 HydrophobicContact CD2-CD 3.86Å; L388-K390 HydrophobicContact CD2-CG 4.44Å; L388-K390 HydrophobicContact CG-CD 4.23Å; L388-K390 HydrophobicContact CG-CG 4.27Å; L388-K390 PolarHBondContact O-N 3.37Å; K390-K392 PolarHBondContact O-N 3.39Å
391	S	53.3	Low	63.8	Low	56 Å²	56	99.9 Å²	99.9	39%	0.392	45%	0.452	S	S	.	.			trans	-55.9	132.2	178.9	-178.3	0	0	0	0	110.5	N393 D396 V397 R400	S391-N393 WeakPolarHBondContact OG-CB 3.47Å; S391-N393 PolarHBondContact OG-N 3.4Å; S391-D396 WeakPolarHBondContact CB-OD2 3.17Å; S391-D396 PolarHBondContact OG-OD2 2.76Å; S391-V397 VanDerWaalsContact O-CG2 3.28Å; S391-V397 WeakPolarHBondContact O-CG2 3.48Å; S391-R400 PolarHBondContact O-NH2 3.37Å
392	K	61.9	Low	65.9	Low	84 Å²	84	93.2 Å²	93.2	37%	0.365	43%	0.428	S	S	.	.			trans	-94.9	0.5	174.8	-72.6	-162	163.5	-162.2	0	113	H387 K390 P394	H387-K392 PolarHBondContact NE2-NZ 3.07Å; K390-K392 PolarHBondContact O-N 3.39Å; K392-P394 WeakPolarHBondContact O-CD 3.43Å
393	N	79.6	Confident	68.1	Low	75 Å²	75	89.9 Å²	89.9	40%	0.401	42%	0.415	S	S	.	.			trans	-52.8	124.4	170.2	178.6	13.5	0	0	0	109.1	S391 E395 D396 V397	S391-N393 WeakPolarHBondContact OG-CB 3.47Å; S391-N393 PolarHBondContact OG-N 3.4Å; N393-E395 PolarHBondContact O-N 2.95Å; N393-E395 VanDerWaalsContact O-N 3.16Å; N393-E395 PolarHBondContact OD1-N 3.11Å; N393-D396 HydrophobicContact CB-CB 4.17Å; N393-D396 WeakPolarHBondContact CB-OD2 3.38Å; N393-D396 PolarHBondContact ND2-OD2 2.85Å; N393-D396 PolarHBondContact O-N 3.08Å; N393-D396 VanDerWaalsContact O-N 3.13Å; N393-V397 PolarHBondContact O-N 3.43Å
394	P	83.4	Confident	70.5	Confident	24 Å²	24	93.9 Å²	93.9	16%	0.156	43%	0.427	C	S	.	.	H	α-helix	trans	-46.6	-42.6	177.5	-35.2	39.9	0	0	0	114.6	K392 V397 V398 V456 Y459 S460	K392-P394 WeakPolarHBondContact O-CD 3.43Å; P394-V397 PolarHBondContact O-N 3.17Å; P394-V398 WeakPolarHBondContact O-CG2 3.4Å; P394-V398 PolarHBondContact O-N 3.08Å; P394-V398 VanDerWaalsContact O-N 3.08Å; P394-V456 HydrophobicContact CB-CG1 3.95Å; P394-Y459 HydrophobicContact CB-CD1 3.68Å; P394-Y459 HydrophobicContact CB-CE1 4.14Å; P394-Y459 HydrophobicContact CG-CD1 3.99Å; P394-Y459 HydrophobicContact CG-CE1 4.12Å; P394-S460 WeakPolarHBondContact CB-OG 3.34Å; P394-S460 VanDerWaalsContact CG-OG 3.24Å; P394-S460 WeakPolarHBondContact CG-OG 3.37Å
395	E	85.3	Confident	72.9	Confident	42 Å²	42	86.4 Å²	86.4	20%	0.196	40%	0.397	C	S	.	.	H	α-helix	trans	-64.8	-46.5	-179.3	-167.7	173.4	159	0	0	112.3	N393 V397 V398 R399 V435	N393-E395 PolarHBondContact O-N 2.95Å; N393-E395 VanDerWaalsContact O-N 3.16Å; N393-E395 PolarHBondContact OD1-N 3.11Å; E395-V397 VanDerWaalsContact C-N 3.29Å; E395-V397 PolarHBondContact O-N 3.11Å; E395-V398 PolarHBondContact O-N 3.13Å; E395-R399 HydrophobicContact CG-CG 4.21Å; E395-R399 VanDerWaalsContact O-CB 3.29Å; E395-R399 WeakPolarHBondContact O-CB 3.3Å; E395-R399 VanDerWaalsContact O-CG 3.31Å; E395-R399 WeakPolarHBondContact O-CG 3.39Å; E395-R399 PolarHBondContact O-N 2.92Å; E395-R399 IonicContact OE1-CZ 2.72Å; E395-R399 IonicContact OE1-NE 2.77Å; E395-R399 PolarHBondContact OE1-NE 2.92Å; E395-R399 IonicContact OE1-NH2 2.83Å; E395-R399 PolarHBondContact OE1-NH2 3.28Å; E395-V435 HydrophobicContact CG-CG2 3.98Å
396	D	86.2	Confident	75.2	Confident	67 Å²	67	88 Å²	88	36%	0.358	40%	0.404	S	S	.	.	H	α-helix	trans	-65.8	-28.5	-180	-62.4	-22.1	0	0	0	113.5	S391 N393 R400	S391-D396 WeakPolarHBondContact CB-OD2 3.17Å; S391-D396 PolarHBondContact OG-OD2 2.76Å; N393-D396 HydrophobicContact CB-CB 4.17Å; N393-D396 WeakPolarHBondContact CB-OD2 3.38Å; N393-D396 PolarHBondContact ND2-OD2 2.85Å; N393-D396 PolarHBondContact O-N 3.08Å; N393-D396 VanDerWaalsContact O-N 3.13Å; D396-R400 WeakPolarHBondContact O-CB 3.13Å; D396-R400 PolarHBondContact O-NH2 3.04Å
397	V	87.2	Confident	77.8	Confident	0 Å²	0	85 Å²	85	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-79.8	-41.4	178.4	179.5	0	0	0	0	110.2	S391 N393 P394 E395 R400 Y401 Y459	S391-V397 VanDerWaalsContact O-CG2 3.28Å; S391-V397 WeakPolarHBondContact O-CG2 3.48Å; N393-V397 PolarHBondContact O-N 3.43Å; P394-V397 PolarHBondContact O-N 3.17Å; E395-V397 VanDerWaalsContact C-N 3.29Å; E395-V397 PolarHBondContact O-N 3.11Å; V397-R400 WeakPolarHBondContact O-CB 3.47Å; V397-R400 PolarHBondContact O-N 3.28Å; V397-Y401 HydrophobicContact CG1-CD2 4.46Å; V397-Y401 HydrophobicContact CG1-CE2 3.99Å; V397-Y401 WeakPolarHBondContact O-CD2 3.31Å; V397-Y459 HydrophobicContact CB-CE1 4.22Å; V397-Y459 HydrophobicContact CB-CE2 4.17Å; V397-Y459 HydrophobicContact CG1-CD2 4.21Å; V397-Y459 HydrophobicContact CG1-CE2 3.59Å; V397-Y459 HydrophobicContact CG2-CE1 4.36Å
398	V	89.8	Confident	80.2	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-74.4	-43.7	-179.6	178.7	0	0	0	0	111.7	P394 E395 R400 Y401 M402 L452 L455 V456 Y459 L468	P394-V398 WeakPolarHBondContact O-CG2 3.4Å; P394-V398 PolarHBondContact O-N 3.08Å; P394-V398 VanDerWaalsContact O-N 3.08Å; E395-V398 PolarHBondContact O-N 3.13Å; V398-R400 PolarHBondContact O-N 3.12Å; V398-R400 VanDerWaalsContact O-N 3.12Å; V398-Y401 PolarHBondContact O-N 3.34Å; V398-M402 HydrophobicContact CG1-CG 4.12Å; V398-M402 HydrophobicContact CG1-SD 3.36Å; V398-M402 WeakPolarHBondContact CG1-SD 3.09Å; V398-M402 PolarHBondContact O-N 2.84Å; V398-M402 VanDerWaalsContact O-N 3.1Å; V398-L452 HydrophobicContact CB-CD1 4.35Å; V398-L452 HydrophobicContact CG1-CD1 3.55Å; V398-L455 HydrophobicContact CG1-CB 3.95Å; V398-L455 HydrophobicContact CG1-CD2 4.02Å; V398-L455 HydrophobicContact CG1-CG 4.12Å; V398-V456 HydrophobicContact CB-CG2 3.81Å; V398-V456 HydrophobicContact CG1-CG2 4.03Å; V398-V456 HydrophobicContact CG2-CG2 4.07Å; V398-Y459 HydrophobicContact CG2-CG 4.22Å; V398-L468 HydrophobicContact CB-CD2 4.41Å; V398-L468 HydrophobicContact CG1-CD2 4.22Å; V398-L468 HydrophobicContact CG2-CD1 4.21Å; V398-L468 HydrophobicContact CG2-CD2 4.11Å
399	R	89.1	Confident	82.7	Confident	111 Å²	111	79 Å²	79	42%	0.419	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.4	174.1	-73.5	-175.8	-176.8	-82	5.3	113.4	E395 Y401 L452	E395-R399 HydrophobicContact CG-CG 4.21Å; E395-R399 VanDerWaalsContact O-CB 3.29Å; E395-R399 WeakPolarHBondContact O-CB 3.3Å; E395-R399 VanDerWaalsContact O-CG 3.31Å; E395-R399 WeakPolarHBondContact O-CG 3.39Å; E395-R399 PolarHBondContact O-N 2.92Å; E395-R399 IonicContact OE1-CZ 2.72Å; E395-R399 IonicContact OE1-NE 2.77Å; E395-R399 PolarHBondContact OE1-NE 2.92Å; E395-R399 IonicContact OE1-NH2 2.83Å; E395-R399 PolarHBondContact OE1-NH2 3.28Å; R399-Y401 VanDerWaalsContact C-N 3.31Å; R399-Y401 PolarHBondContact O-N 2.88Å; R399-L452 HydrophobicContact CG-CD1 4.28Å; R399-L452 HydrophobicContact CG-CD2 4.03Å
400	R	89.8	Confident	85.2	Confident	95 Å²	95	73.6 Å²	73.6	36%	0.358	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.5	177.3	-165.2	-175.6	-54.2	137.6	8.7	113.8	S391 D396 V397 V398	S391-R400 PolarHBondContact O-NH2 3.37Å; D396-R400 WeakPolarHBondContact O-CB 3.13Å; D396-R400 PolarHBondContact O-NH2 3.04Å; V397-R400 WeakPolarHBondContact O-CB 3.47Å; V397-R400 PolarHBondContact O-N 3.28Å; V398-R400 PolarHBondContact O-N 3.12Å; V398-R400 VanDerWaalsContact O-N 3.12Å
401	Y	90.1	Very high	87	Confident	42 Å²	42	72.9 Å²	72.9	17%	0.165	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-10.8	-173.9	-55.7	-52	0	0	0	113.8	V397 V398 R399 G444 L468 Y477 G478	V397-Y401 HydrophobicContact CG1-CD2 4.46Å; V397-Y401 HydrophobicContact CG1-CE2 3.99Å; V397-Y401 WeakPolarHBondContact O-CD2 3.31Å; V398-Y401 PolarHBondContact O-N 3.34Å; R399-Y401 VanDerWaalsContact C-N 3.31Å; R399-Y401 PolarHBondContact O-N 2.88Å; Y401-G444 PolarHBondContact O-N 3.14Å; Y401-L468 HydrophobicContact CD2-CB 3.93Å; Y401-L468 HydrophobicContact CD2-CD2 4.23Å; Y401-L468 HydrophobicContact CE2-CB 4.49Å; Y401-Y477 HydrophobicContact CD1-CD1 4.28Å; Y401-Y477 HydrophobicContact CG-CD1 4.33Å; Y401-Y477 HydrophobicContact CG-CG 4.24Å; Y401-G478 VanDerWaalsContact OH-CA 3.22Å; Y401-G478 WeakPolarHBondContact OH-CA 3.22Å
402	M	91.5	Very high	88.9	Confident	19 Å²	19	73.8 Å²	73.8	9%	0.094	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.3	173.3	-69.7	179.7	76.6	0	0	112.2	V398 G441 R442 L443 Y450 L452 L455	V398-M402 HydrophobicContact CG1-CG 4.12Å; V398-M402 HydrophobicContact CG1-SD 3.36Å; V398-M402 WeakPolarHBondContact CG1-SD 3.09Å; V398-M402 PolarHBondContact O-N 2.84Å; V398-M402 VanDerWaalsContact O-N 3.1Å; M402-G441 VanDerWaalsContact CE-O 3.32Å; M402-G441 WeakPolarHBondContact CE-O 3.41Å; M402-R442 CarbonylContact C-O 3.48Å; M402-R442 WeakPolarHBondContact CA-O 3.22Å; M402-L443 HydrophobicContact CG-CD2 3.79Å; M402-L443 HydrophobicContact CG-CG 4.5Å; M402-Y450 VanDerWaalsContact CE-O 3.24Å; M402-Y450 WeakPolarHBondContact CE-O 3.36Å; M402-L452 HydrophobicContact CE-CB 4.34Å; M402-L452 HydrophobicContact CE-CD1 4.27Å; M402-L452 HydrophobicContact SD-CD1 3.46Å; M402-L452 WeakPolarHBondContact SD-CD1 3.29Å; M402-L455 HydrophobicContact CE-CD2 4.31Å; M402-L455 HydrophobicContact CG-CD2 3.92Å; M402-L455 HydrophobicContact SD-CB 4.01Å; M402-L455 HydrophobicContact SD-CD2 3.41Å; M402-L455 WeakPolarHBondContact SD-CD2 3.43Å; M402-L455 HydrophobicContact SD-CG 4.31Å
403	Q	93.2	Very high	90.4	Very high	115 Å²	115	69.8 Å²	69.8	54%	0.537	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.9	167.1	-65.3	170.3	-24.1	0	0	109	V405 G441 R442	Q403-V405 PolarHBondContact O-N 3.41Å; Q403-G441 CarbonylContact O-C 3.56Å; Q403-G441 WeakPolarHBondContact O-CA 3.48Å; Q403-R442 PolarHBondContact N-O 3.04Å; Q403-R442 PolarHBondContact O-N 2.87Å
404	K	93.5	Very high	91.1	Very high	158 Å²	158	69.5 Å²	69.5	69%	0.687	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	129.3	179.3	177.2	176.5	178.3	179.9	0	110.8	L439	K404-L439 HydrophobicContact CD-CD1 3.77Å; K404-L439 HydrophobicContact CG-CD1 3.84Å
405	V	94.4	Very high	91.5	Very high	32 Å²	32	71.1 Å²	71.1	19%	0.194	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-92	136.3	168.1	-175.4	0	0	0	0	108.6	Q403 N407 P408 V440 R442 M449	Q403-V405 PolarHBondContact O-N 3.41Å; V405-N407 WeakPolarHBondContact CG1-O 3.46Å; V405-P408 HydrophobicContact CG1-CB 4.46Å; V405-V440 HydrophobicContact CB-CG1 4.2Å; V405-V440 HydrophobicContact CG2-CG1 4.32Å; V405-V440 PolarHBondContact N-O 3.06Å; V405-V440 VanDerWaalsContact N-O 3.07Å; V405-R442 HydrophobicContact CG2-CB 3.98Å; V405-M449 HydrophobicContact CG2-CG 4.46Å; V405-M449 HydrophobicContact CG2-SD 4.16Å
406	K	91.4	Very high	91.8	Very high	186 Å²	186	70.7 Å²	70.7	81%	0.809	35%	0.345	S	S	*	.	S	Bend	trans	-85.1	-43.9	175.6	-73.9	-173.5	178.7	-179.3	0	112
407	N	93.1	Very high	92.1	Very high	140 Å²	140	73.7 Å²	73.7	75%	0.749	36%	0.359	S	S	*	.	S	Bend	trans	-125.3	90	-176.7	-60.8	80.9	0	0	0	106.7	V405	V405-N407 WeakPolarHBondContact CG1-O 3.46Å
408	P	93.2	Very high	92.4	Very high	33 Å²	33	77.9 Å²	77.9	21%	0.214	38%	0.378	C	S	.	.			trans	-67.3	151	175.6	26.8	-31	0	0	0	110.7	V405 L420 V421 V440	V405-P408 HydrophobicContact CG1-CB 4.46Å; P408-L420 HydrophobicContact CB-CB 3.85Å; P408-L420 VanDerWaalsContact CG-O 3.27Å; P408-L420 WeakPolarHBondContact CG-O 3.25Å; P408-V421 HydrophobicContact CG-CG1 4.15Å; P408-V440 HydrophobicContact CB-CB 4.15Å; P408-V440 HydrophobicContact CB-CG1 4.08Å; P408-V440 HydrophobicContact CB-CG2 4.12Å; P408-V440 HydrophobicContact CG-CB 4.47Å; P408-V440 HydrophobicContact CG-CG2 4.26Å
409	P	93.4	Very high	92.6	Very high	45 Å²	45	82.5 Å²	82.5	29%	0.292	40%	0.396	S	S	.	.			trans	-70.5	162.4	169.3	33.9	-36.6	0	0	0	110.5	E411 L420 M449	P409-E411 HydrophobicContact CB-CG 4Å; P409-E411 HydrophobicContact CG-CB 4.17Å; P409-E411 HydrophobicContact CG-CG 3.9Å; P409-E411 WeakPolarHBondContact CG-OE2 3.24Å; P409-E411 PolarHBondContact O-N 2.89Å; P409-L420 HydrophobicContact CG-CD1 4.41Å; P409-M449 HydrophobicContact CG-CE 3.63Å; P409-M449 HydrophobicContact CG-SD 4.45Å
410	D	94.4	Very high	92.9	Very high	99 Å²	99	77.3 Å²	77.3	53%	0.529	38%	0.376	S	S	.	.	S	Bend	trans	-79.3	53.9	173.9	-170.1	29.6	0	0	0	111.8	R419 V421	D410-R419 VanDerWaalsContact OD1-CD 3.29Å; D410-R419 WeakPolarHBondContact OD1-CD 3.46Å; D410-R419 IonicContact OD1-CZ 2.7Å; D410-R419 IonicContact OD1-NE 2.66Å; D410-R419 IonicContact OD1-NH1 3.21Å; D410-R419 PolarHBondContact OD1-NH1 3.5Å; D410-R419 IonicContact OD2-NH1 3.94Å; D410-R419 PolarHBondContact OD2-NH1 3.26Å; D410-V421 WeakPolarHBondContact OD1-CG2 3.23Å
411	E	92.9	Very high	93.1	Very high	108 Å²	108	76.5 Å²	76.5	51%	0.505	38%	0.382	S	S	.	.			trans	-107.4	157.7	177.4	-68	170.6	179.3	0	0	110.5	P409 R419 L420	P409-E411 HydrophobicContact CB-CG 4Å; P409-E411 HydrophobicContact CG-CB 4.17Å; P409-E411 HydrophobicContact CG-CG 3.9Å; P409-E411 WeakPolarHBondContact CG-OE2 3.24Å; P409-E411 PolarHBondContact O-N 2.89Å; E411-R419 WeakPolarHBondContact O-CA 3.18Å; E411-L420 HydrophobicContact CB-CD1 4.2Å; E411-L420 WeakPolarHBondContact O-CG 3.19Å; E411-L420 PolarHBondContact O-N 3.01Å
412	D	94.4	Very high	93.3	Very high	75 Å²	75	77.3 Å²	77.3	40%	0.401	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-80	133.4	179.6	-55.6	-45.9	0	0	0	112.5	T414 R419	D412-T414 PolarHBondContact O-N 3.39Å; D412-T414 VanDerWaalsContact O-N 3.14Å; D412-R419 WeakPolarHBondContact OD1-CD 3.26Å; D412-R419 IonicContact OD1-CZ 2.88Å; D412-R419 IonicContact OD1-NE 2.68Å; D412-R419 PolarHBondContact OD1-NE 3.31Å
413	C	93.6	Very high	93.3	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	41%	0.406	C	S	.	.			trans	-73.5	103.8	168.6	-179.5	0	0	0	0	109.7	I415 C416 M417 E418 L420 H451	C413-I415 PolarHBondContact O-N 2.58Å; C413-C416 PolarHBondContact O-N 3.28Å; C413-C416 VanDerWaalsContact O-N 3.17Å; C413-M417 WeakPolarHBondContact O-CA 3.46Å; C413-M417 PolarHBondContact O-N 3.22Å; C413-E418 VanDerWaalsContact CB-O 3.27Å; C413-E418 WeakPolarHBondContact CB-O 3.47Å; C413-E418 PolarHBondContact N-O 2.92Å; C413-L420 HydrophobicContact CB-CD2 3.68Å; C413-L420 HydrophobicContact CB-CG 4.32Å; C413-H451 VanDerWaalsContact CB-ND1 3.32Å; C413-H451 WeakPolarHBondContact CB-ND1 3.45Å; C413-H451 PolarHBondContact SG-ND1 3.4Å; C413-H451 VanDerWaalsContact SG-ND1 3.4Å
414	T	93.3	Very high	93.2	Very high	69 Å²	69	73.4 Å²	73.4	42%	0.423	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	31.2	-175.4	85.5	0	0	0	0	115.7	D412 T472	D412-T414 PolarHBondContact O-N 3.39Å; D412-T414 VanDerWaalsContact O-N 3.14Å; T414-T472 PolarHBondContact OG1-OG1 3.49Å
415	I	91.7	Very high	92.8	Very high	57 Å²	57	67.9 Å²	67.9	29%	0.292	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-40.5	175	-53.5	174.9	0	0	0	110.5	C413 Y450 C454 L455 P471	C413-I415 PolarHBondContact O-N 2.58Å; I415-Y450 HydrophobicContact CD1-CD1 3.56Å; I415-Y450 HydrophobicContact CD1-CD2 4.44Å; I415-Y450 HydrophobicContact CD1-CE1 4.21Å; I415-Y450 HydrophobicContact CD1-CG 3.7Å; I415-Y450 HydrophobicContact CG1-CD1 3.76Å; I415-Y450 HydrophobicContact CG1-CE1 4.17Å; I415-Y450 HydrophobicContact CG1-CG 4.41Å; I415-C454 HydrophobicContact CB-CB 3.96Å; I415-C454 HydrophobicContact CD1-CB 3.98Å; I415-C454 HydrophobicContact CG2-CB 3.87Å; I415-L455 HydrophobicContact CD1-CB 4.4Å; I415-L455 HydrophobicContact CD1-CD1 3.53Å; I415-P471 HydrophobicContact CD1-CG 3.88Å; I415-P471 HydrophobicContact CG1-CG 3.84Å
416	C	92.4	Very high	92.2	Very high	33 Å²	33	69.3 Å²	69.3	22%	0.223	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-9	177.2	63.2	0	0	0	0	113.5	C413 E418 C454	C413-C416 PolarHBondContact O-N 3.28Å; C413-C416 VanDerWaalsContact O-N 3.17Å; C416-E418 PolarHBondContact O-N 3.29Å; C416-C454 PolarHBondContact SG-SG 2.96Å
417	M	92.8	Very high	91.2	Very high	130 Å²	130	66.8 Å²	66.8	64%	0.64	36%	0.363	S	S	*	.			trans	63.5	12.5	-176.1	-49.8	-54.2	-62.3	0	0	115.1	C413	C413-M417 WeakPolarHBondContact O-CA 3.46Å; C413-M417 PolarHBondContact O-N 3.22Å
418	E	93.5	Very high	89.8	Confident	89 Å²	89	61 Å²	61	42%	0.416	34%	0.336	S	S	.	.	S	Bend	trans	-88.1	152.6	167.8	-64	-64	161.6	0	0	111.3	C413 C416	C413-E418 VanDerWaalsContact CB-O 3.27Å; C413-E418 WeakPolarHBondContact CB-O 3.47Å; C413-E418 PolarHBondContact N-O 2.92Å; C416-E418 PolarHBondContact O-N 3.29Å
419	R	93.6	Very high	88	Confident	96 Å²	96	65.8 Å²	65.8	36%	0.362	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-61.1	146.7	175.8	-70.3	-68.4	172.2	86.7	-6	112.6	D410 E411 D412 V421 T422 H451	D410-R419 VanDerWaalsContact OD1-CD 3.29Å; D410-R419 WeakPolarHBondContact OD1-CD 3.46Å; D410-R419 IonicContact OD1-CZ 2.7Å; D410-R419 IonicContact OD1-NE 2.66Å; D410-R419 IonicContact OD1-NH1 3.21Å; D410-R419 PolarHBondContact OD1-NH1 3.5Å; D410-R419 IonicContact OD2-NH1 3.94Å; D410-R419 PolarHBondContact OD2-NH1 3.26Å; E411-R419 WeakPolarHBondContact O-CA 3.18Å; D412-R419 WeakPolarHBondContact OD1-CD 3.26Å; D412-R419 IonicContact OD1-CZ 2.88Å; D412-R419 IonicContact OD1-NE 2.68Å; D412-R419 PolarHBondContact OD1-NE 3.31Å; R419-V421 HydrophobicContact CB-CG2 3.88Å; R419-V421 PolarHBondContact O-N 3.04Å; R419-T422 HydrophobicContact CB-CG2 4.21Å; R419-T422 PolarHBondContact N-OG1 3.35Å; R419-T422 PolarHBondContact O-N 3.37Å; R419-T422 VanDerWaalsContact O-N 3.07Å; R419-T422 PolarHBondContact O-OG1 2.97Å; R419-H451 PolarHBondContact O-CE1 2.81Å; R419-H451 VanDerWaalsContact O-CE1 3.22Å; R419-H451 PolarHBondContact O-NE2 3.2Å
420	L	94.1	Very high	86.2	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.01	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.4	174.3	-68.5	173.1	0	0	0	112.5	P408 P409 E411 C413 V440 M449	P408-L420 HydrophobicContact CB-CB 3.85Å; P408-L420 VanDerWaalsContact CG-O 3.27Å; P408-L420 WeakPolarHBondContact CG-O 3.25Å; P409-L420 HydrophobicContact CG-CD1 4.41Å; E411-L420 HydrophobicContact CB-CD1 4.2Å; E411-L420 WeakPolarHBondContact O-CG 3.19Å; E411-L420 PolarHBondContact O-N 3.01Å; C413-L420 HydrophobicContact CB-CD2 3.68Å; C413-L420 HydrophobicContact CB-CG 4.32Å; L420-V440 HydrophobicContact CB-CG2 4.03Å; L420-V440 HydrophobicContact CD2-CG1 3.96Å; L420-V440 HydrophobicContact CD2-CG2 3.86Å; L420-V440 WeakPolarHBondContact O-CG2 3.47Å; L420-M449 HydrophobicContact CD1-CB 3.74Å
421	V	95.4	Very high	84.5	Confident	78 Å²	78	68.3 Å²	68.3	47%	0.473	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-16.2	171.4	-65	0	0	0	0	113.9	P408 D410 R419	P408-V421 HydrophobicContact CG-CG1 4.15Å; D410-V421 WeakPolarHBondContact OD1-CG2 3.23Å; R419-V421 HydrophobicContact CB-CG2 3.88Å; R419-V421 PolarHBondContact O-N 3.04Å
422	T	93.1	Very high	82.5	Confident	59 Å²	59	71 Å²	71	36%	0.362	38%	0.378	S	S	.	.	S	Bend	trans	-98	175.1	175.6	60.4	0	0	0	0	111.6	R419 H451	R419-T422 HydrophobicContact CB-CG2 4.21Å; R419-T422 PolarHBondContact N-OG1 3.35Å; R419-T422 PolarHBondContact O-N 3.37Å; R419-T422 VanDerWaalsContact O-N 3.07Å; R419-T422 PolarHBondContact O-OG1 2.97Å; T422-H451 PolarHBondContact O-NE2 3.3Å
423	A	91.4	Very high	80.8	Confident	48 Å²	48	77.3 Å²	77.3	40%	0.397	40%	0.402	S	S	.	.			trans	-73.5	142.7	175.8	0	0	0	0	0	111.6	G425 P437	A423-G425 PolarHBondContact O-N 3.03Å; A423-P437 HydrophobicContact CB-CB 4.23Å; A423-P437 HydrophobicContact CB-CG 4.42Å
424	S	91.3	Very high	79.5	Confident	4 Å²	4	79.4 Å²	79.4	3%	0.028	42%	0.424	C	S	.	.			trans	-51.5	121.1	170.1	172.2	0	0	0	0	112.3	Y426 P437 C454	S424-Y426 PolarHBondContact O-N 2.99Å; S424-Y426 PolarHBondContact OG-N 2.96Å; S424-P437 VanDerWaalsContact CB-O 3.28Å; S424-P437 WeakPolarHBondContact CB-O 2.98Å; S424-P437 PolarHBondContact N-O 2.87Å; S424-C454 PolarHBondContact OG-SG 3.38Å
425	G	86.4	Confident	78.6	Confident	43 Å²	43	76.9 Å²	76.9	44%	0.443	41%	0.409	S	S	.	.			trans	-69.5	16.6	175.2	0	0	0	0	0	115.6	A423 E427	A423-G425 PolarHBondContact O-N 3.03Å; G425-E427 PolarHBondContact O-N 2.82Å
426	Y	81.4	Confident	78.3	Confident	62 Å²	62	82.5 Å²	82.5	24%	0.243	43%	0.426	C	S	.	.			trans	-85.5	89.3	-179	-175.2	-100	0	0	0	112.1	S424 G428 L430 L453 A457	S424-Y426 PolarHBondContact O-N 2.99Å; S424-Y426 PolarHBondContact OG-N 2.96Å; Y426-G428 PolarHBondContact O-N 3.25Å; Y426-G428 VanDerWaalsContact O-N 3.09Å; Y426-L430 HydrophobicContact CE1-CB 4.23Å; Y426-L430 HydrophobicContact CE1-CD1 4.32Å; Y426-L453 HydrophobicContact CD1-CD1 4.22Å; Y426-L453 HydrophobicContact CD1-CD2 4.35Å; Y426-L453 HydrophobicContact CD1-CG 4.04Å; Y426-A457 HydrophobicContact CD1-CB 3.88Å; Y426-A457 HydrophobicContact CD2-CB 3.88Å; Y426-A457 HydrophobicContact CE1-CB 3.59Å; Y426-A457 HydrophobicContact CE2-CB 3.6Å; Y426-A457 HydrophobicContact CG-CB 4.02Å; Y426-A457 VanDerWaalsContact CZ-CB 3.44Å
427	E	70.8	Confident	78	Confident	133 Å²	133	82.2 Å²	82.2	62%	0.621	42%	0.424	S	S	*	.			trans	-80.2	38.9	175.5	-72.8	-69.4	177.9	0	0	113.8	G425 R431	G425-E427 PolarHBondContact O-N 2.82Å; E427-R431 IonicContact OE1-CZ 3.12Å; E427-R431 IonicContact OE1-NE 2.74Å; E427-R431 IonicContact OE1-NH1 3.17Å; E427-R431 PolarHBondContact OE1-NH1 3.33Å; E427-R431 IonicContact OE1-NH2 2.74Å; E427-R431 PolarHBondContact OE1-NH2 3.49Å; E427-R431 WeakPolarHBondContact OE2-CD 3.34Å; E427-R431 IonicContact OE2-CZ 2.67Å; E427-R431 IonicContact OE2-NE 3.92Å; E427-R431 IonicContact OE2-NH1 3.54Å; E427-R431 PolarHBondContact OE2-NH1 3.28Å; E427-R431 IonicContact OE2-NH2 2.84Å
428	G	63.4	Low	77.9	Confident	18 Å²	18	79.8 Å²	79.8	19%	0.186	41%	0.411	C	S	.	.	S	Bend	trans	-91.8	166.5	-178.7	0	0	0	0	0	114.7	Y426 L430 R431	Y426-G428 PolarHBondContact O-N 3.25Å; Y426-G428 VanDerWaalsContact O-N 3.09Å; G428-L430 PolarHBondContact O-N 2.81Å; G428-R431 VanDerWaalsContact O-CB 3.25Å; G428-R431 WeakPolarHBondContact O-CB 3.34Å; G428-R431 PolarHBondContact O-N 3.38Å
429	V	54.5	Low	77.9	Confident	134 Å²	134	77.1 Å²	77.1	81%	0.812	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-52.1	-28.5	-178.7	-178.1	0	0	0	0	113.6	R431 H432	V429-R431 PolarHBondContact O-N 2.84Å; V429-R431 VanDerWaalsContact O-N 3.16Å; V429-H432 PolarHBondContact O-N 2.84Å
430	L	55.5	Low	77.9	Confident	73 Å²	73	72.7 Å²	72.7	38%	0.382	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-66	-8.9	176.1	-57.7	171.6	0	0	0	114.3	Y426 G428 H432 A457	Y426-L430 HydrophobicContact CE1-CB 4.23Å; Y426-L430 HydrophobicContact CE1-CD1 4.32Å; G428-L430 PolarHBondContact O-N 2.81Å; L430-H432 PolarHBondContact O-N 3.27Å; L430-A457 HydrophobicContact CD1-CB 4.33Å
431	R	58.4	Low	77.9	Confident	123 Å²	123	72.8 Å²	72.8	46%	0.464	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-64.8	-23.9	174.5	-156.9	-177.9	-159.8	-164.4	15.4	112.1	E427 G428 V429 K433	E427-R431 IonicContact OE1-CZ 3.12Å; E427-R431 IonicContact OE1-NE 2.74Å; E427-R431 IonicContact OE1-NH1 3.17Å; E427-R431 PolarHBondContact OE1-NH1 3.33Å; E427-R431 IonicContact OE1-NH2 2.74Å; E427-R431 PolarHBondContact OE1-NH2 3.49Å; E427-R431 WeakPolarHBondContact OE2-CD 3.34Å; E427-R431 IonicContact OE2-CZ 2.67Å; E427-R431 IonicContact OE2-NE 3.92Å; E427-R431 IonicContact OE2-NH1 3.54Å; E427-R431 PolarHBondContact OE2-NH1 3.28Å; E427-R431 IonicContact OE2-NH2 2.84Å; G428-R431 VanDerWaalsContact O-CB 3.25Å; G428-R431 WeakPolarHBondContact O-CB 3.34Å; G428-R431 PolarHBondContact O-N 3.38Å; V429-R431 PolarHBondContact O-N 2.84Å; V429-R431 VanDerWaalsContact O-N 3.16Å; R431-K433 PolarHBondContact O-N 3.25Å
432	H	51.1	Low	78	Confident	164 Å²	164	74.4 Å²	74.4	76%	0.759	38%	0.382	S	S	*	.	S	Bend	trans	-77.4	99.9	173.3	-78.9	-81.2	0	0	0	112.2	V429 L430	V429-H432 PolarHBondContact O-N 2.84Å; L430-H432 PolarHBondContact O-N 3.27Å
433	K	59.3	Low	77.9	Confident	208 Å²	208	71.6 Å²	71.6	90%	0.904	36%	0.364	S	S	*	.	S	Bend	trans	74.4	72.4	163.9	-50.5	-179.7	-179.3	-177.7	0	117	R431	R431-K433 PolarHBondContact O-N 3.25Å
434	G	66.6	Low	77.6	Confident	45 Å²	45	70.9 Å²	70.9	46%	0.464	36%	0.362	S	S	.	.	S	Bend	trans	-169.9	-67.1	163.6	0	0	0	0	0	115.4
435	V	74.9	Confident	77.3	Confident	16 Å²	16	80.1 Å²	80.1	10%	0.097	40%	0.397	C	S	.	.			trans	-112.9	130.6	-168.5	175.8	0	0	0	0	112	E395 L452 L453	E395-V435 HydrophobicContact CG-CG2 3.98Å; V435-L452 HydrophobicContact CG1-CB 3.86Å; V435-L452 HydrophobicContact CG1-CD2 3.85Å; V435-L452 HydrophobicContact CG1-CG 3.83Å; V435-L452 HydrophobicContact CG2-CD2 4.11Å; V435-L452 HydrophobicContact CG2-CG 4.31Å; V435-L453 HydrophobicContact CB-CD1 4.41Å; V435-L453 HydrophobicContact CG1-CB 4.02Å
436	R	84.2	Confident	77.5	Confident	174 Å²	174	79.7 Å²	79.7	66%	0.657	39%	0.386	S	S	*	.			trans	-65	127.1	169.6	-76.1	179.8	62.7	153.6	-0.5	110.5	E438 L439	R436-E438 VanDerWaalsContact C-N 3.27Å; R436-E438 IonicContact CZ-OE2 2.71Å; R436-E438 IonicContact NE-OE2 3.99Å; R436-E438 PolarHBondContact NE-OE2 3.06Å; R436-E438 IonicContact NH2-OE2 2.72Å; R436-E438 PolarHBondContact NH2-OE2 3.48Å; R436-E438 PolarHBondContact O-N 3.23Å; R436-L439 HydrophobicContact CB-CB 4.29Å; R436-L439 VanDerWaalsContact O-CB 3.26Å; R436-L439 WeakPolarHBondContact O-CB 3.26Å; R436-L439 PolarHBondContact O-N 2.89Å; R436-L439 VanDerWaalsContact O-N 3.11Å
437	P	87.2	Confident	78	Confident	28 Å²	28	77.5 Å²	77.5	18%	0.182	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.9	-176.8	24.4	-33.5	0	0	0	114.6	A423 S424 L439 H451 L453	A423-P437 HydrophobicContact CB-CB 4.23Å; A423-P437 HydrophobicContact CB-CG 4.42Å; S424-P437 VanDerWaalsContact CB-O 3.28Å; S424-P437 WeakPolarHBondContact CB-O 2.98Å; S424-P437 PolarHBondContact N-O 2.87Å; P437-L439 VanDerWaalsContact C-N 3.28Å; P437-L439 PolarHBondContact O-N 2.78Å; P437-H451 PolarHBondContact O-CD2 3.18Å; P437-L453 HydrophobicContact CB-CD2 3.96Å
438	E	90	Very high	79.2	Confident	78 Å²	78	74 Å²	74	36%	0.364	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.8	174.3	-22	74.9	-107.3	0	0	113.8	R436 V440	R436-E438 VanDerWaalsContact C-N 3.27Å; R436-E438 IonicContact CZ-OE2 2.71Å; R436-E438 IonicContact NE-OE2 3.99Å; R436-E438 PolarHBondContact NE-OE2 3.06Å; R436-E438 IonicContact NH2-OE2 2.72Å; R436-E438 PolarHBondContact NH2-OE2 3.48Å; R436-E438 PolarHBondContact O-N 3.23Å; E438-V440 PolarHBondContact O-N 3.34Å; E438-V440 VanDerWaalsContact O-N 3.09Å
439	L	92.6	Very high	80.7	Confident	34 Å²	34	75.1 Å²	75.1	18%	0.178	37%	0.367	C	S	.	.			trans	-80.2	96.7	-170.8	-179.1	54.9	0	0	0	112.2	K404 R436 P437 L452	K404-L439 HydrophobicContact CD-CD1 3.77Å; K404-L439 HydrophobicContact CG-CD1 3.84Å; R436-L439 HydrophobicContact CB-CB 4.29Å; R436-L439 VanDerWaalsContact O-CB 3.26Å; R436-L439 WeakPolarHBondContact O-CB 3.26Å; R436-L439 PolarHBondContact O-N 2.89Å; R436-L439 VanDerWaalsContact O-N 3.11Å; P437-L439 VanDerWaalsContact C-N 3.28Å; P437-L439 PolarHBondContact O-N 2.78Å; L439-L452 HydrophobicContact CB-CB 4.5Å; L439-L452 HydrophobicContact CD2-CD2 3.67Å; L439-L452 HydrophobicContact CG-CB 4.28Å; L439-L452 HydrophobicContact CG-CD2 4.26Å; L439-L452 VanDerWaalsContact O-CB 3.31Å; L439-L452 WeakPolarHBondContact O-CB 3.35Å; L439-L452 PolarHBondContact O-N 3.06Å
440	V	95.2	Very high	82.7	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.018	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	145.9	173.3	176.5	0	0	0	0	112.8	V405 P408 L420 E438 M449 Y450	V405-V440 HydrophobicContact CB-CG1 4.2Å; V405-V440 HydrophobicContact CG2-CG1 4.32Å; V405-V440 PolarHBondContact N-O 3.06Å; V405-V440 VanDerWaalsContact N-O 3.07Å; P408-V440 HydrophobicContact CB-CB 4.15Å; P408-V440 HydrophobicContact CB-CG1 4.08Å; P408-V440 HydrophobicContact CB-CG2 4.12Å; P408-V440 HydrophobicContact CG-CB 4.47Å; P408-V440 HydrophobicContact CG-CG2 4.26Å; L420-V440 HydrophobicContact CB-CG2 4.03Å; L420-V440 HydrophobicContact CD2-CG1 3.96Å; L420-V440 HydrophobicContact CD2-CG2 3.86Å; L420-V440 WeakPolarHBondContact O-CG2 3.47Å; E438-V440 PolarHBondContact O-N 3.34Å; E438-V440 VanDerWaalsContact O-N 3.09Å; V440-M449 HydrophobicContact CG1-CB 4.29Å; V440-Y450 WeakPolarHBondContact CA-O 3.29Å
441	G	94.3	Very high	84.6	Confident	3 Å²	3	65.4 Å²	65.4	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	163.7	167.3	0	0	0	0	0	113.7	M402 Q403 M449 Y450	M402-G441 VanDerWaalsContact CE-O 3.32Å; M402-G441 WeakPolarHBondContact CE-O 3.41Å; Q403-G441 CarbonylContact O-C 3.56Å; Q403-G441 WeakPolarHBondContact O-CA 3.48Å; G441-M449 WeakPolarHBondContact O-CA 3.27Å; G441-Y450 PolarHBondContact N-O 3.37Å; G441-Y450 PolarHBondContact O-N 3.05Å
442	R	95.6	Very high	86.2	Confident	112 Å²	112	59.9 Å²	59.9	42%	0.423	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.2	-174.4	-170	177.9	-170.9	-128.2	5.2	110.7	M402 Q403 V405 G444 G447 H448 M449	M402-R442 CarbonylContact C-O 3.48Å; M402-R442 WeakPolarHBondContact CA-O 3.22Å; Q403-R442 PolarHBondContact N-O 3.04Å; Q403-R442 PolarHBondContact O-N 2.87Å; V405-R442 HydrophobicContact CG2-CB 3.98Å; R442-G444 PolarHBondContact O-N 2.95Å; R442-G447 VanDerWaalsContact CG-O 3.3Å; R442-G447 WeakPolarHBondContact CG-O 3.11Å; R442-G447 VanDerWaalsContact NE-CA 3.32Å; R442-G447 PolarHBondContact NE-O 2.83Å; R442-H448 CarbonylContact C-O 3.42Å; R442-H448 WeakPolarHBondContact CA-O 3.3Å; R442-M449 HydrophobicContact CB-CG 3.93Å; R442-M449 HydrophobicContact CG-CG 3.89Å
443	L	92.3	Very high	88.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	118.3	174.8	-78.1	-176.3	0	0	0	110.8	M402 R445 C446 G447 H448 Y450 L455 L468 C470 Y477	M402-L443 HydrophobicContact CG-CD2 3.79Å; M402-L443 HydrophobicContact CG-CG 4.5Å; L443-R445 PolarHBondContact O-N 3.29Å; L443-C446 PolarHBondContact O-N 3.23Å; L443-G447 WeakPolarHBondContact O-CA 3.22Å; L443-G447 PolarHBondContact O-N 3.41Å; L443-H448 PolarHBondContact N-O 2.97Å; L443-Y450 HydrophobicContact CD1-CD2 4.34Å; L443-Y450 HydrophobicContact CD1-CE2 3.81Å; L443-Y450 HydrophobicContact CG-CD2 4.44Å; L443-Y450 HydrophobicContact CG-CE2 4.26Å; L443-L455 HydrophobicContact CD1-CD2 4.14Å; L443-L455 HydrophobicContact CD2-CD2 3.82Å; L443-L455 HydrophobicContact CG-CD2 4.07Å; L443-L468 HydrophobicContact CD2-CD2 3.86Å; L443-C470 HydrophobicContact CD1-CB 3.7Å; L443-Y477 VanDerWaalsContact C-OH 3.3Å; L443-Y477 HydrophobicContact CB-CE2 3.92Å; L443-Y477 HydrophobicContact CD1-CD2 4.42Å; L443-Y477 HydrophobicContact CD1-CE2 3.92Å; L443-Y477 HydrophobicContact CD2-CD2 4.38Å; L443-Y477 HydrophobicContact CD2-CE2 4.26Å; L443-Y477 HydrophobicContact CG-CE2 4.28Å; L443-Y477 PolarHBondContact O-OH 3.29Å
444	G	85.6	Confident	89.7	Confident	34 Å²	34	42.4 Å²	42.4	35%	0.351	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.8	-155.7	0	0	0	0	0	118.2	Y401 R442	Y401-G444 PolarHBondContact O-N 3.14Å; R442-G444 PolarHBondContact O-N 2.95Å
445	R	84.4	Confident	90.8	Very high	198 Å²	198	40.2 Å²	40.2	75%	0.747	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-35.8	-176.4	-82.4	177.1	59.5	-137.2	-0.5	113.7	L443 I476 Y477	L443-R445 PolarHBondContact O-N 3.29Å; R445-I476 PolarHBondContact NH1-O 3.38Å; R445-Y477 WeakPolarHBondContact CA-OH 3.25Å; R445-Y477 HydrophobicContact CB-CE1 3.87Å; R445-Y477 HydrophobicContact CG-CE1 4.25Å; R445-Y477 PolarHBondContact N-OH 2.88Å
446	C	90.4	Very high	91.6	Very high	34 Å²	34	39.9 Å²	39.9	23%	0.23	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-6	-174.3	67	0	0	0	0	113.1	L443 H448 C470 C473 A475 Y477	L443-C446 PolarHBondContact O-N 3.23Å; C446-H448 PolarHBondContact O-CE1 3.46Å; C446-H448 PolarHBondContact O-N 2.94Å; C446-H448 VanDerWaalsContact O-N 3.08Å; C446-H448 PolarHBondContact O-ND1 3.22Å; C446-C470 VanDerWaalsContact SG-SG 3.69Å; C446-C473 WeakPolarHBondContact CB-SG 3.49Å; C446-A475 HydrophobicContact CB-CB 4.34Å; C446-Y477 PolarHBondContact N-OH 2.91Å; C446-Y477 PolarHBondContact SG-OH 2.89Å
447	G	91.3	Very high	91.8	Very high	15 Å²	15	31.8 Å²	31.8	16%	0.155	16%	0.158	C	C	.	.			trans	71.6	0.9	170.7	0	0	0	0	0	116.7	R442 L443	R442-G447 VanDerWaalsContact CG-O 3.3Å; R442-G447 WeakPolarHBondContact CG-O 3.11Å; R442-G447 VanDerWaalsContact NE-CA 3.32Å; R442-G447 PolarHBondContact NE-O 2.83Å; L443-G447 WeakPolarHBondContact O-CA 3.22Å; L443-G447 PolarHBondContact O-N 3.41Å
448	H	95.4	Very high	91.9	Very high	59 Å²	59	33.1 Å²	33.1	27%	0.273	16%	0.163	S	C	.	.			trans	-72.7	146.7	-179.4	-67	65	0	0	0	111.5	R442 L443 C446 Y450 T472 C473	R442-H448 CarbonylContact C-O 3.42Å; R442-H448 WeakPolarHBondContact CA-O 3.3Å; L443-H448 PolarHBondContact N-O 2.97Å; C446-H448 PolarHBondContact O-CE1 3.46Å; C446-H448 PolarHBondContact O-N 2.94Å; C446-H448 VanDerWaalsContact O-N 3.08Å; C446-H448 PolarHBondContact O-ND1 3.22Å; H448-Y450 HydrophobicContact CB-CE2 3.94Å; H448-Y450 WeakPolarHBondContact CB-OH 3.48Å; H448-T472 WeakPolarHBondContact CD2-CB 3.17Å; H448-T472 WeakPolarHBondContact NE2-CG2 3.44Å; H448-C473 VanDerWaalsContact CE1-SG 3.55Å
449	M	96.3	Very high	91.8	Very high	43 Å²	43	29.9 Å²	29.9	21%	0.212	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.3	-170.5	-67.3	175.2	-69.5	0	0	112.4	V405 P409 L420 V440 G441 R442	V405-M449 HydrophobicContact CG2-CG 4.46Å; V405-M449 HydrophobicContact CG2-SD 4.16Å; P409-M449 HydrophobicContact CG-CE 3.63Å; P409-M449 HydrophobicContact CG-SD 4.45Å; L420-M449 HydrophobicContact CD1-CB 3.74Å; V440-M449 HydrophobicContact CG1-CB 4.29Å; G441-M449 WeakPolarHBondContact O-CA 3.27Å; R442-M449 HydrophobicContact CB-CG 3.93Å; R442-M449 HydrophobicContact CG-CG 3.89Å
450	Y	96.5	Very high	91.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	157.9	-179.3	-48.6	-73.3	0	0	0	110.3	M402 I415 V440 G441 L443 H448 L455 C470 P471 T472	M402-Y450 VanDerWaalsContact CE-O 3.24Å; M402-Y450 WeakPolarHBondContact CE-O 3.36Å; I415-Y450 HydrophobicContact CD1-CD1 3.56Å; I415-Y450 HydrophobicContact CD1-CD2 4.44Å; I415-Y450 HydrophobicContact CD1-CE1 4.21Å; I415-Y450 HydrophobicContact CD1-CG 3.7Å; I415-Y450 HydrophobicContact CG1-CD1 3.76Å; I415-Y450 HydrophobicContact CG1-CE1 4.17Å; I415-Y450 HydrophobicContact CG1-CG 4.41Å; V440-Y450 WeakPolarHBondContact CA-O 3.29Å; G441-Y450 PolarHBondContact N-O 3.37Å; G441-Y450 PolarHBondContact O-N 3.05Å; L443-Y450 HydrophobicContact CD1-CD2 4.34Å; L443-Y450 HydrophobicContact CD1-CE2 3.81Å; L443-Y450 HydrophobicContact CG-CD2 4.44Å; L443-Y450 HydrophobicContact CG-CE2 4.26Å; H448-Y450 HydrophobicContact CB-CE2 3.94Å; H448-Y450 WeakPolarHBondContact CB-OH 3.48Å; Y450-L455 HydrophobicContact CD2-CD1 4.07Å; Y450-L455 HydrophobicContact CD2-CD2 4.08Å; Y450-L455 HydrophobicContact CG-CD1 4.43Å; Y450-C470 PolarHBondContact OH-SG 2.71Å; Y450-P471 HydrophobicContact CD1-CG 4.42Å; Y450-P471 HydrophobicContact CE1-CG 3.74Å; Y450-P471 HydrophobicContact CE2-CG 4.13Å; Y450-T472 WeakPolarHBondContact OH-CB 3.47Å; Y450-T472 PolarHBondContact OH-N 3.48Å; Y450-T472 PolarHBondContact OH-OG1 2.92Å
451	H	94.8	Very high	90.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	137	161.3	-48.2	95.5	0	0	0	110	C413 R419 T422 P437 L453 C454 L455	C413-H451 VanDerWaalsContact CB-ND1 3.32Å; C413-H451 WeakPolarHBondContact CB-ND1 3.45Å; C413-H451 PolarHBondContact SG-ND1 3.4Å; C413-H451 VanDerWaalsContact SG-ND1 3.4Å; R419-H451 PolarHBondContact O-CE1 2.81Å; R419-H451 VanDerWaalsContact O-CE1 3.22Å; R419-H451 PolarHBondContact O-NE2 3.2Å; T422-H451 PolarHBondContact O-NE2 3.3Å; P437-H451 PolarHBondContact O-CD2 3.18Å; H451-L453 PolarHBondContact O-N 2.94Å; H451-C454 HydrophobicContact CB-CB 4.31Å; H451-C454 WeakPolarHBondContact O-CB 3.45Å; H451-C454 PolarHBondContact O-N 3.41Å; H451-L455 PolarHBondContact O-N 3.48Å
452	L	92	Very high	90	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-59.3	-37.9	178.9	-179.1	63.3	0	0	0	111.3	V398 R399 M402 V435 L439 L455 V456	V398-L452 HydrophobicContact CB-CD1 4.35Å; V398-L452 HydrophobicContact CG1-CD1 3.55Å; R399-L452 HydrophobicContact CG-CD1 4.28Å; R399-L452 HydrophobicContact CG-CD2 4.03Å; M402-L452 HydrophobicContact CE-CB 4.34Å; M402-L452 HydrophobicContact CE-CD1 4.27Å; M402-L452 HydrophobicContact SD-CD1 3.46Å; M402-L452 WeakPolarHBondContact SD-CD1 3.29Å; V435-L452 HydrophobicContact CG1-CB 3.86Å; V435-L452 HydrophobicContact CG1-CD2 3.85Å; V435-L452 HydrophobicContact CG1-CG 3.83Å; V435-L452 HydrophobicContact CG2-CD2 4.11Å; V435-L452 HydrophobicContact CG2-CG 4.31Å; L439-L452 HydrophobicContact CB-CB 4.5Å; L439-L452 HydrophobicContact CD2-CD2 3.67Å; L439-L452 HydrophobicContact CG-CB 4.28Å; L439-L452 HydrophobicContact CG-CD2 4.26Å; L439-L452 VanDerWaalsContact O-CB 3.31Å; L439-L452 WeakPolarHBondContact O-CB 3.35Å; L439-L452 PolarHBondContact O-N 3.06Å; L452-L455 PolarHBondContact O-N 3.34Å; L452-V456 HydrophobicContact CD1-CG2 4.25Å; L452-V456 HydrophobicContact CG-CG2 4.36Å; L452-V456 WeakPolarHBondContact O-CB 3.33Å; L452-V456 VanDerWaalsContact O-CG2 3.29Å; L452-V456 WeakPolarHBondContact O-CG2 3.35Å; L452-V456 PolarHBondContact O-N 3.37Å
453	L	91.4	Very high	88.9	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-46.1	178	-177.3	60.4	0	0	0	111.9	Y426 V435 P437 H451 L455 V456 A457	Y426-L453 HydrophobicContact CD1-CD1 4.22Å; Y426-L453 HydrophobicContact CD1-CD2 4.35Å; Y426-L453 HydrophobicContact CD1-CG 4.04Å; V435-L453 HydrophobicContact CB-CD1 4.41Å; V435-L453 HydrophobicContact CG1-CB 4.02Å; P437-L453 HydrophobicContact CB-CD2 3.96Å; H451-L453 PolarHBondContact O-N 2.94Å; L453-L455 VanDerWaalsContact C-N 3.32Å; L453-L455 PolarHBondContact O-N 3.16Å; L453-V456 PolarHBondContact O-N 3.08Å; L453-A457 WeakPolarHBondContact O-CB 3.38Å; L453-A457 PolarHBondContact O-N 3.34Å
454	C	91.9	Very high	88.3	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.014	22%	0.217	C	C	.	.	H	α-helix	trans	-56.6	-45.2	175.8	-67.7	0	0	0	0	112	I415 C416 S424 H451 A457 M458	I415-C454 HydrophobicContact CB-CB 3.96Å; I415-C454 HydrophobicContact CD1-CB 3.98Å; I415-C454 HydrophobicContact CG2-CB 3.87Å; C416-C454 PolarHBondContact SG-SG 2.96Å; S424-C454 PolarHBondContact OG-SG 3.38Å; H451-C454 HydrophobicContact CB-CB 4.31Å; H451-C454 WeakPolarHBondContact O-CB 3.45Å; H451-C454 PolarHBondContact O-N 3.41Å; C454-A457 PolarHBondContact O-N 3.43Å; C454-M458 WeakPolarHBondContact O-CB 3.47Å; C454-M458 PolarHBondContact O-N 2.84Å
455	L	91.5	Very high	87.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-77.1	-30.3	-176.2	-152.6	68.8	0	0	0	112.4	V398 M402 I415 L443 Y450 H451 L452 L453 M458 Y459 L468 P471	V398-L455 HydrophobicContact CG1-CB 3.95Å; V398-L455 HydrophobicContact CG1-CD2 4.02Å; V398-L455 HydrophobicContact CG1-CG 4.12Å; M402-L455 HydrophobicContact CE-CD2 4.31Å; M402-L455 HydrophobicContact CG-CD2 3.92Å; M402-L455 HydrophobicContact SD-CB 4.01Å; M402-L455 HydrophobicContact SD-CD2 3.41Å; M402-L455 WeakPolarHBondContact SD-CD2 3.43Å; M402-L455 HydrophobicContact SD-CG 4.31Å; I415-L455 HydrophobicContact CD1-CB 4.4Å; I415-L455 HydrophobicContact CD1-CD1 3.53Å; L443-L455 HydrophobicContact CD1-CD2 4.14Å; L443-L455 HydrophobicContact CD2-CD2 3.82Å; L443-L455 HydrophobicContact CG-CD2 4.07Å; Y450-L455 HydrophobicContact CD2-CD1 4.07Å; Y450-L455 HydrophobicContact CD2-CD2 4.08Å; Y450-L455 HydrophobicContact CG-CD1 4.43Å; H451-L455 PolarHBondContact O-N 3.48Å; L452-L455 PolarHBondContact O-N 3.34Å; L453-L455 VanDerWaalsContact C-N 3.32Å; L453-L455 PolarHBondContact O-N 3.16Å; L455-M458 HydrophobicContact CD1-CE 3.44Å; L455-M458 VanDerWaalsContact CD1-CE 3.44Å; L455-M458 HydrophobicContact CD1-SD 3.92Å; L455-M458 HydrophobicContact CG-CE 4.22Å; L455-Y459 WeakPolarHBondContact O-CB 3.29Å; L455-Y459 PolarHBondContact O-N 3.3Å; L455-L468 HydrophobicContact CD2-CD2 3.8Å; L455-L468 HydrophobicContact CD2-CG 4.49Å; L455-L468 HydrophobicContact CG-CD1 4.17Å; L455-L468 HydrophobicContact CG-CD2 4.3Å; L455-P471 HydrophobicContact CD1-CG 4.31Å
456	V	90	Very high	87.6	Confident	9 Å²	9	31.5 Å²	31.5	6%	0.055	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-43.6	167.8	167.5	0	0	0	0	111.5	P394 V398 L452 L453 Y459 S460	P394-V456 HydrophobicContact CB-CG1 3.95Å; V398-V456 HydrophobicContact CB-CG2 3.81Å; V398-V456 HydrophobicContact CG1-CG2 4.03Å; V398-V456 HydrophobicContact CG2-CG2 4.07Å; L452-V456 HydrophobicContact CD1-CG2 4.25Å; L452-V456 HydrophobicContact CG-CG2 4.36Å; L452-V456 WeakPolarHBondContact O-CB 3.33Å; L452-V456 VanDerWaalsContact O-CG2 3.29Å; L452-V456 WeakPolarHBondContact O-CG2 3.35Å; L452-V456 PolarHBondContact O-N 3.37Å; L453-V456 PolarHBondContact O-N 3.08Å; V456-Y459 PolarHBondContact O-N 2.9Å; V456-S460 VanDerWaalsContact O-CB 3.29Å; V456-S460 WeakPolarHBondContact O-CB 3.45Å; V456-S460 PolarHBondContact O-N 3.15Å; V456-S460 PolarHBondContact O-OG 2.82Å
457	A	88.7	Confident	87.4	Confident	4 Å²	4	30.5 Å²	30.5	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-46.6	175.3	0	0	0	0	0	111.9	Y426 L430 L453 C454 Y459 S460 N461	Y426-A457 HydrophobicContact CD1-CB 3.88Å; Y426-A457 HydrophobicContact CD2-CB 3.88Å; Y426-A457 HydrophobicContact CE1-CB 3.59Å; Y426-A457 HydrophobicContact CE2-CB 3.6Å; Y426-A457 HydrophobicContact CG-CB 4.02Å; Y426-A457 VanDerWaalsContact CZ-CB 3.44Å; L430-A457 HydrophobicContact CD1-CB 4.33Å; L453-A457 WeakPolarHBondContact O-CB 3.38Å; L453-A457 PolarHBondContact O-N 3.34Å; C454-A457 PolarHBondContact O-N 3.43Å; A457-Y459 PolarHBondContact O-N 3.25Å; A457-S460 WeakPolarHBondContact O-CB 3.26Å; A457-S460 PolarHBondContact O-N 2.99Å; A457-N461 PolarHBondContact O-N 3.3Å
458	M	89.6	Confident	87.2	Confident	55 Å²	55	29.9 Å²	29.9	27%	0.271	17%	0.165	S	C	.	.	H	α-helix	trans	-57.1	-48	175.7	-172.7	-164.1	76.8	0	0	111.9	C454 L455 N461 G462 L468 Q469 P471	C454-M458 WeakPolarHBondContact O-CB 3.47Å; C454-M458 PolarHBondContact O-N 2.84Å; L455-M458 HydrophobicContact CD1-CE 3.44Å; L455-M458 VanDerWaalsContact CD1-CE 3.44Å; L455-M458 HydrophobicContact CD1-SD 3.92Å; L455-M458 HydrophobicContact CG-CE 4.22Å; M458-N461 PolarHBondContact O-N 2.89Å; M458-G462 PolarHBondContact O-N 3.29Å; M458-L468 HydrophobicContact CE-CD1 3.73Å; M458-Q469 VanDerWaalsContact CE-O 3.31Å; M458-Q469 WeakPolarHBondContact CE-O 3.45Å; M458-P471 HydrophobicContact SD-CB 3.97Å; M458-P471 HydrophobicContact SD-CG 4.02Å
459	Y	88.1	Confident	86.9	Confident	11 Å²	11	30.6 Å²	30.6	4%	0.043	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-37.7	176.2	176.8	-86	0	0	0	112.5	P394 V397 V398 L455 V456 A457 N461 G462 K464 G466 S467 L468	P394-Y459 HydrophobicContact CB-CD1 3.68Å; P394-Y459 HydrophobicContact CB-CE1 4.14Å; P394-Y459 HydrophobicContact CG-CD1 3.99Å; P394-Y459 HydrophobicContact CG-CE1 4.12Å; V397-Y459 HydrophobicContact CB-CE1 4.22Å; V397-Y459 HydrophobicContact CB-CE2 4.17Å; V397-Y459 HydrophobicContact CG1-CD2 4.21Å; V397-Y459 HydrophobicContact CG1-CE2 3.59Å; V397-Y459 HydrophobicContact CG2-CE1 4.36Å; V398-Y459 HydrophobicContact CG2-CG 4.22Å; L455-Y459 WeakPolarHBondContact O-CB 3.29Å; L455-Y459 PolarHBondContact O-N 3.3Å; V456-Y459 PolarHBondContact O-N 2.9Å; A457-Y459 PolarHBondContact O-N 3.25Å; Y459-N461 VanDerWaalsContact C-N 3.31Å; Y459-N461 PolarHBondContact O-N 3.44Å; Y459-G462 PolarHBondContact O-N 3.04Å; Y459-G462 VanDerWaalsContact O-N 3.12Å; Y459-K464 HydrophobicContact CD1-CG 4.2Å; Y459-K464 HydrophobicContact CE1-CB 4.07Å; Y459-K464 HydrophobicContact CE1-CG 3.81Å; Y459-K464 WeakPolarHBondContact O-CG 3.49Å; Y459-K464 VanDerWaalsContact OH-C 3.23Å; Y459-K464 WeakPolarHBondContact OH-CA 3.43Å; Y459-K464 PolarHBondContact OH-O 3.4Å; Y459-G466 PolarHBondContact OH-N 3.47Å; Y459-S467 WeakPolarHBondContact CD2-O 3.47Å; Y459-S467 WeakPolarHBondContact CE2-O 3.01Å; Y459-L468 HydrophobicContact CD2-CD1 4.26Å
460	S	85.3	Confident	86.7	Confident	18 Å²	18	28.6 Å²	28.6	13%	0.126	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-37	178.6	-61	0	0	0	0	112.5	P394 V456 A457 G462 K464	P394-S460 WeakPolarHBondContact CB-OG 3.34Å; P394-S460 VanDerWaalsContact CG-OG 3.24Å; P394-S460 WeakPolarHBondContact CG-OG 3.37Å; V456-S460 VanDerWaalsContact O-CB 3.29Å; V456-S460 WeakPolarHBondContact O-CB 3.45Å; V456-S460 PolarHBondContact O-N 3.15Å; V456-S460 PolarHBondContact O-OG 2.82Å; A457-S460 WeakPolarHBondContact O-CB 3.26Å; A457-S460 PolarHBondContact O-N 2.99Å; S460-G462 VanDerWaalsContact C-N 3.34Å; S460-K464 PolarHBondContact O-NZ 2.76Å
461	N	80.9	Confident	86.4	Confident	128 Å²	128	29.9 Å²	29.9	68%	0.684	17%	0.167	S	C	*	.	H	α-helix	trans	-76.9	-20.7	175.7	-68.4	-12.8	0	0	0	112.9	A457 M458 Y459	A457-N461 PolarHBondContact O-N 3.3Å; M458-N461 PolarHBondContact O-N 2.89Å; Y459-N461 VanDerWaalsContact C-N 3.31Å; Y459-N461 PolarHBondContact O-N 3.44Å
462	G	77.5	Confident	86.1	Confident	30 Å²	30	33 Å²	33	31%	0.309	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-168.5	177.1	0	0	0	0	0	114.9	M458 Y459 S460 K464	M458-G462 PolarHBondContact O-N 3.29Å; Y459-G462 PolarHBondContact O-N 3.04Å; Y459-G462 VanDerWaalsContact O-N 3.12Å; S460-G462 VanDerWaalsContact C-N 3.34Å; G462-K464 PolarHBondContact O-N 3.09Å; G462-K464 PolarHBondContact O-NZ 2.95Å
463	N	72.5	Confident	85.7	Confident	114 Å²	114	35.4 Å²	35.4	61%	0.61	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.5	-172.9	-63	7.2	0	0	0	114.9	D465	N463-D465 HydrophobicContact CB-CB 4.32Å; N463-D465 PolarHBondContact O-N 3.09Å
464	K	80.5	Confident	85.4	Confident	89 Å²	89	41.5 Å²	41.5	39%	0.387	23%	0.23	S	C	.	.			trans	50.2	39.9	-176.3	-65.4	167.2	-71.8	-66.4	0	112.6	Y459 S460 G462	Y459-K464 HydrophobicContact CD1-CG 4.2Å; Y459-K464 HydrophobicContact CE1-CB 4.07Å; Y459-K464 HydrophobicContact CE1-CG 3.81Å; Y459-K464 WeakPolarHBondContact O-CG 3.49Å; Y459-K464 VanDerWaalsContact OH-C 3.23Å; Y459-K464 WeakPolarHBondContact OH-CA 3.43Å; Y459-K464 PolarHBondContact OH-O 3.4Å; S460-K464 PolarHBondContact O-NZ 2.76Å; G462-K464 PolarHBondContact O-N 3.09Å; G462-K464 PolarHBondContact O-NZ 2.95Å
465	D	75.1	Confident	84.9	Confident	22 Å²	22	42.6 Å²	42.6	12%	0.118	24%	0.239	C	C	.	.	S	Bend	trans	-79.2	-24.4	-172.1	72	-25.8	0	0	0	113	N463 S467 K480 T481	N463-D465 HydrophobicContact CB-CB 4.32Å; N463-D465 PolarHBondContact O-N 3.09Å; D465-S467 VanDerWaalsContact CG-OG 3.29Å; D465-S467 PolarHBondContact OD1-N 2.92Å; D465-S467 PolarHBondContact OD1-OG 3.25Å; D465-S467 PolarHBondContact OD2-OG 2.86Å; D465-K480 WeakPolarHBondContact OD2-CA 3.42Å; D465-T481 WeakPolarHBondContact CB-O 3.37Å; D465-T481 PolarHBondContact OD2-N 3.29Å
466	G	80.3	Confident	84.7	Confident	17 Å²	17	43.6 Å²	43.6	18%	0.175	24%	0.244	C	C	.	.	S	Bend	trans	115	-2.7	-175.1	0	0	0	0	0	113.5	Y459	Y459-G466 PolarHBondContact OH-N 3.47Å
467	S	86.4	Confident	84.4	Confident	12 Å²	12	43.9 Å²	43.9	8%	0.084	24%	0.244	C	C	.	.			trans	-105.2	156.1	174.5	79.2	0	0	0	0	112.2	Y459 D465 Y477	Y459-S467 WeakPolarHBondContact CD2-O 3.47Å; Y459-S467 WeakPolarHBondContact CE2-O 3.01Å; D465-S467 VanDerWaalsContact CG-OG 3.29Å; D465-S467 PolarHBondContact OD1-N 2.92Å; D465-S467 PolarHBondContact OD1-OG 3.25Å; D465-S467 PolarHBondContact OD2-OG 2.86Å; S467-Y477 CarbonylContact C-O 3.54Å; S467-Y477 WeakPolarHBondContact CA-O 3.45Å; S467-Y477 WeakPolarHBondContact CB-O 3.48Å
468	L	87.6	Confident	84.2	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122.8	178.2	-178.5	62.4	0	0	0	109.4	V398 Y401 L443 L455 M458 Y459 Y477	V398-L468 HydrophobicContact CB-CD2 4.41Å; V398-L468 HydrophobicContact CG1-CD2 4.22Å; V398-L468 HydrophobicContact CG2-CD1 4.21Å; V398-L468 HydrophobicContact CG2-CD2 4.11Å; Y401-L468 HydrophobicContact CD2-CB 3.93Å; Y401-L468 HydrophobicContact CD2-CD2 4.23Å; Y401-L468 HydrophobicContact CE2-CB 4.49Å; L443-L468 HydrophobicContact CD2-CD2 3.86Å; L455-L468 HydrophobicContact CD2-CD2 3.8Å; L455-L468 HydrophobicContact CD2-CG 4.49Å; L455-L468 HydrophobicContact CG-CD1 4.17Å; L455-L468 HydrophobicContact CG-CD2 4.3Å; M458-L468 HydrophobicContact CE-CD1 3.73Å; Y459-L468 HydrophobicContact CD2-CD1 4.26Å; L468-Y477 PolarHBondContact N-O 3.29Å; L468-Y477 PolarHBondContact O-N 3.18Å
469	Q	88.5	Confident	84	Confident	75 Å²	75	47.4 Å²	47.4	35%	0.35	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.2	176.3	-167.6	166.4	31.2	0	0	110.2	M458 P471 K474 I476	M458-Q469 VanDerWaalsContact CE-O 3.31Å; M458-Q469 WeakPolarHBondContact CE-O 3.45Å; Q469-P471 WeakPolarHBondContact O-CD 3.38Å; Q469-K474 VanDerWaalsContact CG-O 3.28Å; Q469-K474 WeakPolarHBondContact CG-O 3.44Å; Q469-K474 PolarHBondContact NE2-O 2.8Å; Q469-I476 HydrophobicContact CG-CG1 4.23Å
470	C	90.8	Very high	83.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.277	C	S	.	.			trans	-64.5	122.2	171.4	175.4	0	0	0	0	109.8	L443 C446 Y450 T472 C473 K474 A475 Y477	L443-C470 HydrophobicContact CD1-CB 3.7Å; C446-C470 VanDerWaalsContact SG-SG 3.69Å; Y450-C470 PolarHBondContact OH-SG 2.71Å; C470-T472 VanDerWaalsContact C-N 3.3Å; C470-T472 PolarHBondContact O-N 2.61Å; C470-C473 PolarHBondContact SG-SG 2.99Å; C470-K474 WeakPolarHBondContact O-CA 3.45Å; C470-K474 PolarHBondContact O-N 3.19Å; C470-A475 HydrophobicContact CB-CB 4.35Å; C470-A475 PolarHBondContact N-O 3.06Å; C470-Y477 HydrophobicContact CB-CE2 4.44Å
471	P	90.4	Very high	83.9	Confident	30 Å²	30	49.8 Å²	49.8	20%	0.195	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-30.1	-176.3	23.6	-31.5	0	0	0	112.9	I415 Y450 L455 M458 Q469 K474	I415-P471 HydrophobicContact CD1-CG 3.88Å; I415-P471 HydrophobicContact CG1-CG 3.84Å; Y450-P471 HydrophobicContact CD1-CG 4.42Å; Y450-P471 HydrophobicContact CE1-CG 3.74Å; Y450-P471 HydrophobicContact CE2-CG 4.13Å; L455-P471 HydrophobicContact CD1-CG 4.31Å; M458-P471 HydrophobicContact SD-CB 3.97Å; M458-P471 HydrophobicContact SD-CG 4.02Å; Q469-P471 WeakPolarHBondContact O-CD 3.38Å; P471-K474 PolarHBondContact O-NZ 2.83Å
472	T	88.4	Confident	84.2	Confident	65 Å²	65	44.2 Å²	44.2	40%	0.399	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-70.6	178.4	-43	0	0	0	0	111.2	T414 H448 Y450 C470 K474	T414-T472 PolarHBondContact OG1-OG1 3.49Å; H448-T472 WeakPolarHBondContact CD2-CB 3.17Å; H448-T472 WeakPolarHBondContact NE2-CG2 3.44Å; Y450-T472 WeakPolarHBondContact OH-CB 3.47Å; Y450-T472 PolarHBondContact OH-N 3.48Å; Y450-T472 PolarHBondContact OH-OG1 2.92Å; C470-T472 VanDerWaalsContact C-N 3.3Å; C470-T472 PolarHBondContact O-N 2.61Å; T472-K474 PolarHBondContact O-N 2.7Å
473	C	84.4	Confident	84.8	Confident	58 Å²	58	43.9 Å²	43.9	39%	0.392	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	9	-173.4	67.2	0	0	0	0	115.7	C446 H448 C470 A475	C446-C473 WeakPolarHBondContact CB-SG 3.49Å; H448-C473 VanDerWaalsContact CE1-SG 3.55Å; C470-C473 PolarHBondContact SG-SG 2.99Å; C473-A475 PolarHBondContact O-N 3.2Å
474	K	84.3	Confident	85.9	Confident	130 Å²	130	38.7 Å²	38.7	57%	0.565	22%	0.219	S	C	*	.			trans	58.8	5.1	177.5	-44.7	-52	179.1	-170.5	0	116.3	Q469 C470 P471 T472 I476	Q469-K474 VanDerWaalsContact CG-O 3.28Å; Q469-K474 WeakPolarHBondContact CG-O 3.44Å; Q469-K474 PolarHBondContact NE2-O 2.8Å; C470-K474 WeakPolarHBondContact O-CA 3.45Å; C470-K474 PolarHBondContact O-N 3.19Å; P471-K474 PolarHBondContact O-NZ 2.83Å; T472-K474 PolarHBondContact O-N 2.7Å; K474-I476 PolarHBondContact O-N 3.01Å
475	A	82.3	Confident	86.5	Confident	25 Å²	25	34.5 Å²	34.5	21%	0.207	20%	0.201	C	C	.	.			trans	-61	130.6	177.5	0	0	0	0	0	112.3	C446 C470 C473	C446-A475 HydrophobicContact CB-CB 4.34Å; C470-A475 HydrophobicContact CB-CB 4.35Å; C470-A475 PolarHBondContact N-O 3.06Å; C473-A475 PolarHBondContact O-N 3.2Å
476	I	86.3	Confident	87.3	Confident	21 Å²	21	38.4 Å²	38.4	11%	0.108	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.3	-179.4	-66.9	162.2	0	0	0	110.9	R445 Q469 K474 K480 A612	R445-I476 PolarHBondContact NH1-O 3.38Å; Q469-I476 HydrophobicContact CG-CG1 4.23Å; K474-I476 PolarHBondContact O-N 3.01Å; I476-K480 HydrophobicContact CD1-CD 3.79Å; I476-K480 HydrophobicContact CG2-CB 4.22Å; I476-A612 WeakPolarHBondContact CD1-O 3.42Å
477	Y	84.5	Confident	87.9	Confident	15 Å²	15	38.8 Å²	38.8	6%	0.059	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.8	171.5	-66.2	-95.1	0	0	0	110	Y401 L443 R445 C446 S467 L468 C470	Y401-Y477 HydrophobicContact CD1-CD1 4.28Å; Y401-Y477 HydrophobicContact CG-CD1 4.33Å; Y401-Y477 HydrophobicContact CG-CG 4.24Å; L443-Y477 VanDerWaalsContact C-OH 3.3Å; L443-Y477 HydrophobicContact CB-CE2 3.92Å; L443-Y477 HydrophobicContact CD1-CD2 4.42Å; L443-Y477 HydrophobicContact CD1-CE2 3.92Å; L443-Y477 HydrophobicContact CD2-CD2 4.38Å; L443-Y477 HydrophobicContact CD2-CE2 4.26Å; L443-Y477 HydrophobicContact CG-CE2 4.28Å; L443-Y477 PolarHBondContact O-OH 3.29Å; R445-Y477 WeakPolarHBondContact CA-OH 3.25Å; R445-Y477 HydrophobicContact CB-CE1 3.87Å; R445-Y477 HydrophobicContact CG-CE1 4.25Å; R445-Y477 PolarHBondContact N-OH 2.88Å; C446-Y477 PolarHBondContact N-OH 2.91Å; C446-Y477 PolarHBondContact SG-OH 2.89Å; S467-Y477 CarbonylContact C-O 3.54Å; S467-Y477 WeakPolarHBondContact CA-O 3.45Å; S467-Y477 WeakPolarHBondContact CB-O 3.48Å; L468-Y477 PolarHBondContact N-O 3.29Å; L468-Y477 PolarHBondContact O-N 3.18Å; C470-Y477 HydrophobicContact CB-CE2 4.44Å
478	G	85.1	Confident	88.2	Confident	43 Å²	43	41.3 Å²	41.3	44%	0.443	24%	0.241	S	C	.	.	S	Bend	trans	75.2	-157	-172.1	0	0	0	0	0	112.5	Y401	Y401-G478 VanDerWaalsContact OH-CA 3.22Å; Y401-G478 WeakPolarHBondContact OH-CA 3.22Å
479	E	84.9	Confident	88.5	Confident	90 Å²	90	41.2 Å²	41.2	42%	0.421	24%	0.241	S	C	.	.			trans	-113.4	110.1	-179.9	177.3	163.4	70.6	0	0	109.1	T481 R559	E479-T481 HydrophobicContact CG-CG2 4.17Å; E479-T481 PolarHBondContact O-N 2.84Å; E479-R559 HydrophobicContact CG-CG 4.35Å; E479-R559 IonicContact OE2-CZ 2.99Å; E479-R559 IonicContact OE2-NE 3.71Å; E479-R559 PolarHBondContact OE2-NE 3.46Å; E479-R559 IonicContact OE2-NH2 2.66Å; E479-R559 PolarHBondContact OE2-NH2 2.76Å
480	K	85	Confident	88.7	Confident	39 Å²	39	39.7 Å²	39.7	17%	0.17	23%	0.234	C	C	.	.			trans	-68.5	129.6	176.5	-168	178.3	-174.4	-179.7	0	109.4	D465 I476 L561	D465-K480 WeakPolarHBondContact OD2-CA 3.42Å; I476-K480 HydrophobicContact CD1-CD 3.79Å; I476-K480 HydrophobicContact CG2-CB 4.22Å; K480-L561 HydrophobicContact CG-CD2 4.24Å
481	T	86.4	Confident	88.9	Confident	41 Å²	41	40.3 Å²	40.3	25%	0.252	24%	0.237	S	C	.	.			trans	-133.2	136.6	175.2	63.8	0	0	0	0	111	D465 E479 R559	D465-T481 WeakPolarHBondContact CB-O 3.37Å; D465-T481 PolarHBondContact OD2-N 3.29Å; E479-T481 HydrophobicContact CG-CG2 4.17Å; E479-T481 PolarHBondContact O-N 2.84Å; T481-R559 CarbonylContact C-O 3.52Å; T481-R559 WeakPolarHBondContact CA-O 3.48Å; T481-R559 WeakPolarHBondContact CB-O 3.44Å; T481-R559 HydrophobicContact CG2-CB 4.31Å; T481-R559 HydrophobicContact CG2-CG 4.41Å
482	G	87.6	Confident	89	Confident	10 Å²	10	40.7 Å²	40.7	10%	0.103	24%	0.235	C	C	.	.			trans	-97	-171	-175.1	0	0	0	0	0	114.3	R559 R560	G482-R559 PolarHBondContact N-O 2.72Å; G482-R560 CarbonylContact C-O 3.54Å; G482-R560 VanDerWaalsContact C-O 3.27Å; G482-R560 WeakPolarHBondContact CA-O 3.4Å; G482-R560 VanDerWaalsContact O-CB 3.26Å; G482-R560 WeakPolarHBondContact O-CB 3.4Å; G482-R560 PolarHBondContact O-NE 2.85Å
483	T	90	Very high	89.3	Confident	23 Å²	23	37.8 Å²	37.8	14%	0.141	22%	0.217	C	C	.	.			trans	-107.3	18.1	-172.7	48.5	0	0	0	0	112.2	E521 H522 R560 T564	T483-E521 HydrophobicContact CG2-CB 4.13Å; T483-E521 HydrophobicContact CG2-CG 3.96Å; T483-E521 VanDerWaalsContact CG2-O 3.26Å; T483-E521 WeakPolarHBondContact CG2-O 3.39Å; T483-H522 PolarHBondContact O-CD2 3.3Å; T483-H522 VanDerWaalsContact O-CD2 3.3Å; T483-H522 PolarHBondContact O-NE2 3.45Å; T483-R560 PolarHBondContact N-O 2.93Å; T483-T564 PolarHBondContact OG1-OG1 2.9Å
484	Q	94.6	Very high	89.8	Confident	5 Å²	5	35 Å²	35	2%	0.023	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-51.4	126.8	174.4	-174.5	177.4	-71.3	0	0	111.5	I513 W557 R560 I562 F563	Q484-I513 HydrophobicContact CG-CD1 4.42Å; Q484-W557 VanDerWaalsContact NE2-CZ3 3.31Å; Q484-W557 PolarHBondContact NE2-O 3.07Å; Q484-R560 HydrophobicContact CB-CB 3.66Å; Q484-R560 HydrophobicContact CB-CG 4.34Å; Q484-R560 VanDerWaalsContact CB-O 3.27Å; Q484-R560 WeakPolarHBondContact CB-O 3.44Å; Q484-R560 PolarHBondContact N-O 2.81Å; Q484-R560 VanDerWaalsContact O-CZ 3.23Å; Q484-R560 PolarHBondContact O-NE 2.95Å; Q484-R560 PolarHBondContact O-NH2 3.4Å; Q484-I562 VanDerWaalsContact OE1-N 3.08Å; Q484-F563 WeakPolarHBondContact CA-O 3.47Å; Q484-F563 VanDerWaalsContact CB-O 3.23Å; Q484-F563 WeakPolarHBondContact CB-O 3.46Å; Q484-F563 HydrophobicContact CG-CB 4.14Å; Q484-F563 HydrophobicContact CG-CD2 4.4Å; Q484-F563 PolarHBondContact N-O 3.04Å
485	P	93.4	Very high	90.3	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.013	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-69.8	165.1	174.9	26.7	-32	0	0	0	111.9	I513 F529 I565 V577	P485-I513 HydrophobicContact CG-CG2 3.85Å; P485-F529 HydrophobicContact CB-CE1 4.08Å; P485-F529 HydrophobicContact CB-CE2 4.02Å; P485-F529 HydrophobicContact CB-CZ 3.49Å; P485-F529 VanDerWaalsContact CB-CZ 3.49Å; P485-F529 HydrophobicContact CG-CE2 3.99Å; P485-F529 HydrophobicContact CG-CZ 4Å; P485-I565 HydrophobicContact CB-CD1 4.33Å; P485-I565 HydrophobicContact CG-CD1 4.28Å; P485-I565 HydrophobicContact CG-CG1 4.17Å; P485-V577 HydrophobicContact CG-CG2 3.8Å
486	P	91.9	Very high	90.8	Very high	103 Å²	103	32.7 Å²	32.7	67%	0.669	19%	0.191	S	C	*	.	S	Bend	trans	-58.5	140	178.6	-23.6	34.6	0	0	0	112.6
487	G	93	Very high	91.2	Very high	26 Å²	26	34.1 Å²	34.1	27%	0.268	20%	0.203	S	C	.	.			trans	-170.5	-154.8	179.8	0	0	0	0	0	112.5	D512	G487-D512 CarbonylContact C-O 3.51Å; G487-D512 WeakPolarHBondContact CA-O 3.39Å
488	K	92.9	Very high	91.8	Very high	64 Å²	64	33.6 Å²	33.6	28%	0.278	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	135.4	-170.8	-171.4	-168	-172.2	-143.4	0	110.7	R381 E490 Y511 D512 W557	R381-K488 HydrophobicContact CG-CG 4.34Å; K488-E490 WeakPolarHBondContact CE-OE1 3.33Å; K488-E490 WeakPolarHBondContact CE-OE2 3.33Å; K488-E490 HydrophobicContact CG-CG 4.32Å; K488-E490 IonicContact NZ-OE1 3.05Å; K488-E490 PolarHBondContact NZ-OE1 2.82Å; K488-E490 VanDerWaalsContact NZ-OE1 3.09Å; K488-E490 IonicContact NZ-OE2 2.76Å; K488-E490 PolarHBondContact NZ-OE2 3.34Å; K488-Y511 WeakPolarHBondContact O-CA 3.24Å; K488-D512 HydrophobicContact CB-CB 4.3Å; K488-D512 PolarHBondContact N-O 2.97Å; K488-D512 PolarHBondContact O-N 3.45Å; K488-W557 VanDerWaalsContact C-CZ2 3.41Å; K488-W557 VanDerWaalsContact N-CZ2 3.34Å
489	M	94.8	Very high	92.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.4	169.4	179.6	-173.2	-170.8	0	0	109.1	C380 F491 I509 Y511 L550 L553 I554 W557	C380-M489 PolarHBondContact N-O 2.82Å; M489-F491 HydrophobicContact CE-CD1 4.48Å; M489-I509 HydrophobicContact CE-CD1 4.46Å; M489-I509 HydrophobicContact CE-CG2 3.87Å; M489-I509 HydrophobicContact CG-CG2 4.36Å; M489-Y511 HydrophobicContact CB-CD1 3.99Å; M489-Y511 HydrophobicContact CB-CE1 4.09Å; M489-Y511 HydrophobicContact CE-CE1 3.94Å; M489-Y511 HydrophobicContact CG-CD1 3.89Å; M489-Y511 HydrophobicContact CG-CE1 3.6Å; M489-Y511 HydrophobicContact SD-CE1 3.79Å; M489-L550 HydrophobicContact CE-CD1 4.32Å; M489-L553 HydrophobicContact CE-CB 4.26Å; M489-I554 HydrophobicContact CE-CG1 3.76Å; M489-I554 HydrophobicContact SD-CG1 3.98Å; M489-W557 HydrophobicContact CB-CD2 3.69Å; M489-W557 HydrophobicContact CB-CE3 4.23Å; M489-W557 HydrophobicContact CB-CG 3.96Å; M489-W557 HydrophobicContact CB-CZ2 4.05Å; M489-W557 HydrophobicContact CG-CD2 4.45Å; M489-W557 HydrophobicContact CG-CG 4.45Å; M489-W557 HydrophobicContact SD-CB 3.7Å; M489-W557 HydrophobicContact SD-CD2 4.23Å; M489-W557 HydrophobicContact SD-CG 3.69Å
490	E	91.9	Very high	92.7	Very high	44 Å²	44	32 Å²	32	21%	0.206	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.6	172	-67.6	-174.7	156.2	0	0	109.7	V379 R381 K488 V510	V379-E490 HydrophobicContact CB-CG 4.45Å; V379-E490 HydrophobicContact CG1-CG 3.88Å; V379-E490 HydrophobicContact CG2-CG 4.06Å; R381-E490 IonicContact CZ-OE1 3.85Å; R381-E490 IonicContact NE-OE1 2.75Å; R381-E490 PolarHBondContact NE-OE1 2.98Å; R381-E490 IonicContact NH2-OE1 3.9Å; R381-E490 PolarHBondContact NH2-OE1 3.48Å; K488-E490 WeakPolarHBondContact CE-OE1 3.33Å; K488-E490 WeakPolarHBondContact CE-OE2 3.33Å; K488-E490 HydrophobicContact CG-CG 4.32Å; K488-E490 IonicContact NZ-OE1 3.05Å; K488-E490 PolarHBondContact NZ-OE1 2.82Å; K488-E490 VanDerWaalsContact NZ-OE1 3.09Å; K488-E490 IonicContact NZ-OE2 2.76Å; K488-E490 PolarHBondContact NZ-OE2 3.34Å; E490-V510 PolarHBondContact N-O 2.96Å; E490-V510 PolarHBondContact O-N 2.94Å
491	F	94.7	Very high	93.1	Very high	13 Å²	13	31.8 Å²	31.8	6%	0.057	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	149.3	-180	56.2	-95.2	0	0	0	110.4	V373 V376 P377 M489 R508 I509 L550 I554	V373-F491 HydrophobicContact CB-CD2 4.26Å; V373-F491 HydrophobicContact CB-CE2 4.36Å; V373-F491 HydrophobicContact CG2-CD2 3.77Å; V373-F491 HydrophobicContact CG2-CE2 4.35Å; V376-F491 HydrophobicContact CB-CE2 4.18Å; V376-F491 HydrophobicContact CB-CZ 4.45Å; V376-F491 HydrophobicContact CG1-CE2 3.8Å; V376-F491 HydrophobicContact CG1-CZ 3.63Å; P377-F491 WeakPolarHBondContact O-CZ 3.48Å; M489-F491 HydrophobicContact CE-CD1 4.48Å; F491-R508 VanDerWaalsContact CA-O 3.29Å; F491-R508 WeakPolarHBondContact CA-O 3.49Å; F491-I509 HydrophobicContact CB-CG1 4.25Å; F491-L550 HydrophobicContact CB-CD1 4.2Å; F491-L550 HydrophobicContact CD1-CD1 4.24Å; F491-L550 HydrophobicContact CD2-CD1 4.4Å; F491-L550 HydrophobicContact CD2-CD2 3.83Å; F491-L550 HydrophobicContact CE2-CD2 4.12Å; F491-L550 HydrophobicContact CG-CD1 4.01Å; F491-L550 HydrophobicContact CG-CD2 4.29Å; F491-I554 HydrophobicContact CD1-CD1 4.23Å; F491-I554 HydrophobicContact CD1-CG1 4.5Å; F491-I554 HydrophobicContact CE1-CD1 3.47Å; F491-I554 VanDerWaalsContact CE1-CD1 3.47Å; F491-I554 HydrophobicContact CE1-CG1 3.99Å; F491-I554 HydrophobicContact CZ-CD1 3.66Å
492	H	93.3	Very high	93.5	Very high	37 Å²	37	34.3 Å²	34.3	17%	0.171	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	168	-178.7	55.2	-97.6	0	0	0	110.5	V370 I494 R508	V370-H492 HydrophobicContact CG1-CB 3.68Å; V370-H492 VanDerWaalsContact CG1-CD2 3.45Å; V370-H492 WeakPolarHBondContact CG1-CD2 3.26Å; H492-I494 WeakPolarHBondContact NE2-CG2 3.3Å; H492-R508 PolarHBondContact CE1-NE 3.4Å; H492-R508 VanDerWaalsContact CE1-NE 3.32Å; H492-R508 PolarHBondContact CE1-NH2 3.2Å; H492-R508 PolarHBondContact N-O 3.4Å; H492-R508 VanDerWaalsContact N-O 3.13Å; H492-R508 PolarHBondContact NE2-NE 3.07Å; H492-R508 PolarHBondContact NE2-NH2 3.47Å; H492-R508 PolarHBondContact O-N 3.4Å
493	L	94.2	Very high	93.7	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	147.3	175.8	-62.4	178.1	0	0	0	112	K371 P372 V373 T506 I507 N542	K371-L493 HydrophobicContact CB-CB 4.3Å; K371-L493 PolarHBondContact N-O 3.3Å; K371-L493 PolarHBondContact O-N 3.23Å; P372-L493 WeakPolarHBondContact O-CD1 3.21Å; V373-L493 HydrophobicContact CG2-CD2 3.99Å; V373-L493 HydrophobicContact CG2-CG 4.05Å; L493-T506 CarbonylContact C-O 3.14Å; L493-T506 WeakPolarHBondContact CA-O 3.35Å; L493-I507 HydrophobicContact CD2-CB 4.44Å; L493-I507 HydrophobicContact CD2-CG1 3.63Å; L493-N542 WeakPolarHBondContact CD1-ND2 3.34Å; L493-N542 HydrophobicContact CD2-CB 3.79Å; L493-N542 WeakPolarHBondContact CD2-ND2 3.25Å
494	I	94.4	Very high	93.9	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.8	169.6	60.1	172.8	0	0	0	110	P362 V365 H492 H496 T506 R508 F588	P362-I494 HydrophobicContact CB-CD1 3.69Å; P362-I494 HydrophobicContact CG-CD1 3.61Å; V365-I494 HydrophobicContact CG1-CG2 4.3Å; V365-I494 HydrophobicContact CG2-CB 4.05Å; V365-I494 HydrophobicContact CG2-CG2 4.01Å; H492-I494 WeakPolarHBondContact NE2-CG2 3.3Å; I494-H496 PolarHBondContact O-N 2.92Å; I494-T506 HydrophobicContact CD1-CG2 4.21Å; I494-T506 HydrophobicContact CG1-CG2 4.25Å; I494-T506 WeakPolarHBondContact CG1-O 3.49Å; I494-T506 PolarHBondContact N-O 3.39Å; I494-T506 PolarHBondContact O-N 3.27Å; I494-T506 VanDerWaalsContact O-N 3.17Å; I494-R508 HydrophobicContact CD1-CB 4.35Å; I494-R508 HydrophobicContact CG2-CB 4.23Å; I494-F588 HydrophobicContact CD1-CE2 4.04Å
495	P	94.4	Very high	93.9	Very high	58 Å²	58	44.7 Å²	44.7	38%	0.377	27%	0.269	S	S	.	.	S	Bend	trans	-81.2	42.2	-171.7	37.6	-40.4	0	0	0	113.2	V365 D369	V365-P495 HydrophobicContact CG1-CG 4.2Å; D369-P495 HydrophobicContact CB-CG 3.96Å
496	H	93.4	Very high	94.1	Very high	49 Å²	49	44.6 Å²	44.6	23%	0.227	27%	0.268	C	S	.	.			trans	-135.9	139.1	-178.8	-55.3	-50.2	0	0	0	110.4	I494 T506 F588	I494-H496 PolarHBondContact O-N 2.92Å; H496-T506 VanDerWaalsContact O-CB 3.3Å; H496-T506 WeakPolarHBondContact O-CB 3.47Å; H496-T506 PolarHBondContact O-N 2.87Å; H496-T506 VanDerWaalsContact O-N 3.11Å; H496-T506 PolarHBondContact O-OG1 3.15Å; H496-F588 HydrophobicContact CB-CE1 4.37Å; H496-F588 HydrophobicContact CB-CZ 3.68Å
497	S	95.1	Very high	94.4	Very high	51 Å²	51	39.7 Å²	39.7	36%	0.357	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-84	149.2	176.2	-49.9	0	0	0	0	111.5	F501 T504 F588	S497-F501 WeakPolarHBondContact CB-O 3.41Å; S497-T504 WeakPolarHBondContact CA-O 3.46Å; S497-T504 WeakPolarHBondContact CB-O 3.38Å; S497-T504 PolarHBondContact N-O 3.4Å; S497-T504 PolarHBondContact OG-O 2.73Å; S497-F588 WeakPolarHBondContact O-CZ 3.01Å
498	L	96.1	Very high	94.5	Very high	4 Å²	4	41 Å²	41	2%	0.021	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-84.6	149.3	170.2	-75.6	164.1	0	0	0	110.7	G500 F501 T506 P541 F588 Y597	L498-G500 PolarHBondContact O-N 3.03Å; L498-F501 HydrophobicContact CB-CB 4.49Å; L498-F501 HydrophobicContact CB-CD2 4.29Å; L498-F501 CarbonylContact O-C 3.49Å; L498-F501 PolarHBondContact O-N 2.76Å; L498-T506 HydrophobicContact CD1-CG2 3.95Å; L498-T506 HydrophobicContact CD2-CG2 4.45Å; L498-T506 HydrophobicContact CG-CG2 4.06Å; L498-T506 WeakPolarHBondContact CG-OG1 3.41Å; L498-P541 HydrophobicContact CD1-CB 4.43Å; L498-F588 HydrophobicContact CD2-CD2 3.51Å; L498-F588 HydrophobicContact CD2-CE2 3.56Å; L498-F588 HydrophobicContact CD2-CG 4.15Å; L498-F588 HydrophobicContact CD2-CZ 4.23Å; L498-F588 WeakPolarHBondContact CD2-O 3.28Å; L498-F588 HydrophobicContact CG-CE2 4.16Å; L498-Y597 HydrophobicContact CB-CG 4.36Å; L498-Y597 HydrophobicContact CD1-CD1 4.49Å; L498-Y597 HydrophobicContact CD1-CD2 4.05Å; L498-Y597 HydrophobicContact CD1-CE1 4.13Å; L498-Y597 HydrophobicContact CD1-CE2 3.6Å; L498-Y597 HydrophobicContact CD1-CG 4.45Å; L498-Y597 HydrophobicContact CD2-CD2 3.6Å; L498-Y597 HydrophobicContact CD2-CE2 3.9Å; L498-Y597 HydrophobicContact CD2-CG 4.15Å; L498-Y597 HydrophobicContact CG-CD2 4.27Å; L498-Y597 HydrophobicContact CG-CE2 4.3Å
499	P	94.6	Very high	94.7	Very high	38 Å²	38	38 Å²	38	25%	0.247	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	127.8	168.4	-24.1	32.8	0	0	0	111.5	F588 P598	P499-F588 VanDerWaalsContact CD-O 3.24Å; P499-F588 WeakPolarHBondContact CD-O 3.49Å; P499-P598 HydrophobicContact CB-CB 4.22Å; P499-P598 HydrophobicContact CB-CG 4.47Å; P499-P598 WeakPolarHBondContact O-CA 3.14Å
500	G	94.2	Very high	94.7	Very high	61 Å²	61	38.9 Å²	38.9	63%	0.629	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.8	-5	-174.5	0	0	0	0	0	115.5	L498	L498-G500 PolarHBondContact O-N 3.03Å
501	F	94.9	Very high	95	Very high	35 Å²	35	36.8 Å²	36.8	15%	0.154	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-129.6	65	176.2	-63.8	-78.8	0	0	0	111.1	S497 L498 T504 P541 N543 Y597 L603	S497-F501 WeakPolarHBondContact CB-O 3.41Å; L498-F501 HydrophobicContact CB-CB 4.49Å; L498-F501 HydrophobicContact CB-CD2 4.29Å; L498-F501 CarbonylContact O-C 3.49Å; L498-F501 PolarHBondContact O-N 2.76Å; F501-T504 HydrophobicContact CB-CG2 4.43Å; F501-T504 PolarHBondContact O-OG1 3.13Å; F501-P541 HydrophobicContact CB-CB 3.81Å; F501-P541 HydrophobicContact CD1-CB 3.88Å; F501-P541 HydrophobicContact CD1-CG 3.84Å; F501-P541 HydrophobicContact CD2-CB 3.98Å; F501-P541 HydrophobicContact CD2-CG 3.86Å; F501-P541 HydrophobicContact CE1-CB 4.47Å; F501-P541 HydrophobicContact CE1-CG 3.92Å; F501-P541 HydrophobicContact CE2-CG 3.95Å; F501-P541 HydrophobicContact CG-CB 3.6Å; F501-P541 HydrophobicContact CG-CG 3.81Å; F501-P541 HydrophobicContact CZ-CG 3.98Å; F501-N543 WeakPolarHBondContact CD1-ND2 3.29Å; F501-N543 WeakPolarHBondContact CE1-ND2 3.39Å; F501-Y597 HydrophobicContact CD2-CD1 4.36Å; F501-Y597 HydrophobicContact CD2-CE1 4.33Å; F501-Y597 HydrophobicContact CE2-CD1 4.08Å; F501-Y597 AromaticContact CE2-CE1 3.86Å; F501-Y597 HydrophobicContact CE2-CE1 3.86Å; F501-L603 HydrophobicContact CE1-CD1 4.18Å; F501-L603 HydrophobicContact CZ-CD1 3.9Å
502	P	93.1	Very high	95.1	Very high	94 Å²	94	39.3 Å²	39.3	61%	0.61	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	155.4	178.9	28.2	-36.2	0	0	0	111.7	T504	P502-T504 PolarHBondContact O-N 2.69Å
503	D	93.1	Very high	95.2	Very high	165 Å²	165	37.7 Å²	37.7	88%	0.882	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	10.6	175.3	-48.8	-50.8	0	0	0	115.7
504	T	94.1	Very high	95.2	Very high	30 Å²	30	41.2 Å²	41.2	18%	0.184	25%	0.246	C	C	.	.			trans	-97.1	149.9	171.5	68.1	0	0	0	0	111.8	S497 F501 P502	S497-T504 WeakPolarHBondContact CA-O 3.46Å; S497-T504 WeakPolarHBondContact CB-O 3.38Å; S497-T504 PolarHBondContact N-O 3.4Å; S497-T504 PolarHBondContact OG-O 2.73Å; F501-T504 HydrophobicContact CB-CG2 4.43Å; F501-T504 PolarHBondContact O-OG1 3.13Å; P502-T504 PolarHBondContact O-N 2.69Å
505	Q	95.3	Very high	95.2	Very high	60 Å²	60	45.8 Å²	45.8	28%	0.28	27%	0.274	S	S	.	.			trans	-77.1	164.3	157.4	-65.3	-172.8	-64.9	0	0	110	N542	Q505-N542 HydrophobicContact CB-CB 4.13Å; Q505-N542 WeakPolarHBondContact O-CA 3.5Å; Q505-N542 WeakPolarHBondContact O-CB 3.14Å; Q505-N542 PolarHBondContact O-N 3.05Å
506	T	96.9	Very high	95.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.2	175.1	-63	0	0	0	0	111.2	L493 I494 H496 L498 R508 Y539 L540 F588	L493-T506 CarbonylContact C-O 3.14Å; L493-T506 WeakPolarHBondContact CA-O 3.35Å; I494-T506 HydrophobicContact CD1-CG2 4.21Å; I494-T506 HydrophobicContact CG1-CG2 4.25Å; I494-T506 WeakPolarHBondContact CG1-O 3.49Å; I494-T506 PolarHBondContact N-O 3.39Å; I494-T506 PolarHBondContact O-N 3.27Å; I494-T506 VanDerWaalsContact O-N 3.17Å; H496-T506 VanDerWaalsContact O-CB 3.3Å; H496-T506 WeakPolarHBondContact O-CB 3.47Å; H496-T506 PolarHBondContact O-N 2.87Å; H496-T506 VanDerWaalsContact O-N 3.11Å; H496-T506 PolarHBondContact O-OG1 3.15Å; L498-T506 HydrophobicContact CD1-CG2 3.95Å; L498-T506 HydrophobicContact CD2-CG2 4.45Å; L498-T506 HydrophobicContact CG-CG2 4.06Å; L498-T506 WeakPolarHBondContact CG-OG1 3.41Å; T506-R508 PolarHBondContact O-N 3Å; T506-Y539 HydrophobicContact CG2-CD1 4.27Å; T506-L540 WeakPolarHBondContact CG2-O 3.28Å; T506-F588 HydrophobicContact CG2-CE2 4.01Å
507	I	97.2	Very high	95.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	111.7	162.9	-61.1	164	0	0	0	107.2	V373 L493 I509 Y539 L540 N542 R547 L550	V373-I507 HydrophobicContact CG1-CD1 4.21Å; V373-I507 HydrophobicContact CG1-CG1 4.26Å; V373-I507 HydrophobicContact CG2-CG1 4.19Å; V373-I507 HydrophobicContact CG2-CG2 4.18Å; L493-I507 HydrophobicContact CD2-CB 4.44Å; L493-I507 HydrophobicContact CD2-CG1 3.63Å; I507-I509 HydrophobicContact CG2-CG1 4.12Å; I507-Y539 WeakPolarHBondContact O-CA 3.27Å; I507-L540 HydrophobicContact CB-CB 4.23Å; I507-L540 WeakPolarHBondContact CB-O 3.23Å; I507-L540 HydrophobicContact CD1-CB 4.46Å; I507-L540 PolarHBondContact N-O 2.76Å; I507-L540 PolarHBondContact O-N 3.26Å; I507-N542 HydrophobicContact CG1-CB 4.19Å; I507-R547 HydrophobicContact CD1-CG 4.1Å; I507-L550 HydrophobicContact CD1-CD2 4.3Å; I507-L550 HydrophobicContact CG2-CD1 4.22Å; I507-L550 HydrophobicContact CG2-CD2 3.96Å
508	R	96.2	Very high	95.2	Very high	54 Å²	54	44.4 Å²	44.4	20%	0.204	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	114.7	169.3	-174.5	172.3	76.9	-174.8	1.3	109.1	F491 H492 I494 T506 V510 C538 Y539	F491-R508 VanDerWaalsContact CA-O 3.29Å; F491-R508 WeakPolarHBondContact CA-O 3.49Å; H492-R508 PolarHBondContact CE1-NE 3.4Å; H492-R508 VanDerWaalsContact CE1-NE 3.32Å; H492-R508 PolarHBondContact CE1-NH2 3.2Å; H492-R508 PolarHBondContact N-O 3.4Å; H492-R508 VanDerWaalsContact N-O 3.13Å; H492-R508 PolarHBondContact NE2-NE 3.07Å; H492-R508 PolarHBondContact NE2-NH2 3.47Å; H492-R508 PolarHBondContact O-N 3.4Å; I494-R508 HydrophobicContact CD1-CB 4.35Å; I494-R508 HydrophobicContact CG2-CB 4.23Å; T506-R508 PolarHBondContact O-N 3Å; R508-V510 HydrophobicContact CG-CG2 4.31Å; R508-C538 CarbonylContact C-O 3.54Å; R508-C538 WeakPolarHBondContact CA-O 3.46Å; R508-Y539 HydrophobicContact CB-CD1 4.39Å; R508-Y539 HydrophobicContact CG-CD1 4.1Å; R508-Y539 HydrophobicContact CG-CE1 3.89Å
509	I	96.8	Very high	94.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	143.3	169.3	-52.8	176.4	0	0	0	108.3	M489 F491 I507 Y511 H537 C538 L540 L550 L553	M489-I509 HydrophobicContact CE-CD1 4.46Å; M489-I509 HydrophobicContact CE-CG2 3.87Å; M489-I509 HydrophobicContact CG-CG2 4.36Å; F491-I509 HydrophobicContact CB-CG1 4.25Å; I507-I509 HydrophobicContact CG2-CG1 4.12Å; I509-Y511 HydrophobicContact CG2-CD2 4.17Å; I509-Y511 HydrophobicContact CG2-CE1 4.13Å; I509-Y511 HydrophobicContact CG2-CE2 3.73Å; I509-H537 WeakPolarHBondContact O-CA 3.39Å; I509-C538 HydrophobicContact CB-CB 4.32Å; I509-C538 PolarHBondContact N-O 3.33Å; I509-C538 PolarHBondContact O-N 3.47Å; I509-L540 HydrophobicContact CD1-CD1 3.98Å; I509-L540 HydrophobicContact CD1-CG 4.31Å; I509-L550 HydrophobicContact CD1-CD1 3.73Å; I509-L550 HydrophobicContact CG1-CD1 3.97Å; I509-L553 HydrophobicContact CD1-CD1 3.71Å
510	V	95.8	Very high	94.4	Very high	20 Å²	20	48.6 Å²	48.6	12%	0.121	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	112.5	177	-167.9	0	0	0	0	108.5	E490 R508 P535 R536	E490-V510 PolarHBondContact N-O 2.96Å; E490-V510 PolarHBondContact O-N 2.94Å; R508-V510 HydrophobicContact CG-CG2 4.31Å; V510-P535 HydrophobicContact CG1-CB 3.83Å; V510-R536 WeakPolarHBondContact CA-O 3.35Å
511	Y	97.2	Very high	93.7	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	139.7	170.4	-60.2	-72.9	0	0	0	109.9	K488 M489 I509 F534 P535 R536 W557 I562 F563 W579 H584	K488-Y511 WeakPolarHBondContact O-CA 3.24Å; M489-Y511 HydrophobicContact CB-CD1 3.99Å; M489-Y511 HydrophobicContact CB-CE1 4.09Å; M489-Y511 HydrophobicContact CE-CE1 3.94Å; M489-Y511 HydrophobicContact CG-CD1 3.89Å; M489-Y511 HydrophobicContact CG-CE1 3.6Å; M489-Y511 HydrophobicContact SD-CE1 3.79Å; I509-Y511 HydrophobicContact CG2-CD2 4.17Å; I509-Y511 HydrophobicContact CG2-CE1 4.13Å; I509-Y511 HydrophobicContact CG2-CE2 3.73Å; Y511-F534 WeakPolarHBondContact O-CD1 3.11Å; Y511-P535 CarbonylContact O-C 3.56Å; Y511-P535 WeakPolarHBondContact O-CA 3.24Å; Y511-R536 PolarHBondContact N-O 2.87Å; Y511-R536 PolarHBondContact O-N 2.69Å; Y511-W557 HydrophobicContact CD1-CD2 4.42Å; Y511-W557 AromaticContact CD1-CE3 3.58Å; Y511-W557 HydrophobicContact CD1-CE3 3.58Å; Y511-W557 HydrophobicContact CD1-CH2 4.42Å; Y511-W557 AromaticContact CD1-CZ3 3.58Å; Y511-W557 HydrophobicContact CD1-CZ3 3.58Å; Y511-W557 HydrophobicContact CE1-CD2 4.3Å; Y511-W557 AromaticContact CE1-CE3 3.62Å; Y511-W557 HydrophobicContact CE1-CE3 3.62Å; Y511-W557 HydrophobicContact CE1-CZ3 4.12Å; Y511-W557 HydrophobicContact CG-CZ3 4.49Å; Y511-I562 HydrophobicContact CE1-CG1 4.45Å; Y511-I562 HydrophobicContact CE1-CG2 4.24Å; Y511-I562 HydrophobicContact CE2-CG2 4.17Å; Y511-F563 AromaticContact CD1-CE2 3.83Å; Y511-F563 HydrophobicContact CD1-CE2 3.83Å; Y511-F563 HydrophobicContact CD1-CZ 4.38Å; Y511-F563 AromaticContact CD2-CE2 3.97Å; Y511-F563 HydrophobicContact CD2-CE2 3.97Å; Y511-F563 AromaticContact CD2-CZ 3.71Å; Y511-F563 HydrophobicContact CD2-CZ 3.71Å; Y511-F563 HydrophobicContact CE1-CE2 4.35Å; Y511-F563 HydrophobicContact CE2-CE2 4.47Å; Y511-F563 HydrophobicContact CE2-CZ 4.35Å; Y511-F563 AromaticContact CG-CE2 3.6Å; Y511-F563 HydrophobicContact CG-CE2 3.6Å; Y511-F563 AromaticContact CG-CZ 3.7Å; Y511-F563 HydrophobicContact CG-CZ 3.7Å; Y511-W579 AromaticContact CD2-CH2 3.95Å; Y511-W579 HydrophobicContact CD2-CH2 3.95Å; Y511-W579 HydrophobicContact CD2-CZ3 4.25Å; Y511-W579 HydrophobicContact CE2-CH2 4.07Å; Y511-W579 HydrophobicContact CE2-CZ3 4.1Å; Y511-H584 AromaticContact CE2-CD2 3.62Å; Y511-H584 AromaticContact CE2-NE2 3.46Å; Y511-H584 WeakPolarHBondContact CE2-NE2 3.41Å; Y511-H584 AromaticContact CZ-NE2 3.56Å; Y511-H584 PolarHBondContact OH-NE2 2.88Å
512	D	95.9	Very high	93.4	Very high	66 Å²	66	48.1 Å²	48.1	35%	0.353	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	122.4	175.3	-175.6	23.6	0	0	0	109.6	G487 K488 P535	G487-D512 CarbonylContact C-O 3.51Å; G487-D512 WeakPolarHBondContact CA-O 3.39Å; K488-D512 HydrophobicContact CB-CB 4.3Å; K488-D512 PolarHBondContact N-O 2.97Å; K488-D512 PolarHBondContact O-N 3.45Å; D512-P535 HydrophobicContact CB-CB 4.36Å
513	I	96.1	Very high	93.2	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	28%	0.277	C	S	.	.			trans	-135.4	114.5	-174.7	-63	-175.5	0	0	0	107.9	Q484 P485 A531 F534 W557 F563 V577	Q484-I513 HydrophobicContact CG-CD1 4.42Å; P485-I513 HydrophobicContact CG-CG2 3.85Å; I513-A531 VanDerWaalsContact O-CB 3.25Å; I513-A531 WeakPolarHBondContact O-CB 3.3Å; I513-F534 HydrophobicContact CB-CD1 4.06Å; I513-F534 HydrophobicContact CB-CD2 4.35Å; I513-F534 HydrophobicContact CB-CE1 3.85Å; I513-F534 HydrophobicContact CB-CE2 4.16Å; I513-F534 HydrophobicContact CB-CG 4.3Å; I513-F534 HydrophobicContact CB-CZ 3.91Å; I513-F534 HydrophobicContact CD1-CE1 3.95Å; I513-F534 HydrophobicContact CD1-CZ 3.91Å; I513-F534 HydrophobicContact CG1-CD1 4.28Å; I513-F534 HydrophobicContact CG1-CE1 3.78Å; I513-F534 HydrophobicContact CG1-CZ 4.06Å; I513-W557 HydrophobicContact CD1-CH2 4.32Å; I513-W557 HydrophobicContact CD1-CZ3 4.19Å; I513-W557 HydrophobicContact CG1-CH2 4.24Å; I513-F563 HydrophobicContact CD1-CB 4.14Å; I513-F563 HydrophobicContact CD1-CD2 3.42Å; I513-F563 VanDerWaalsContact CD1-CD2 3.42Å; I513-F563 HydrophobicContact CD1-CE2 3.89Å; I513-F563 HydrophobicContact CD1-CG 3.78Å; I513-V577 HydrophobicContact CD1-CG1 4.02Å; I513-V577 HydrophobicContact CG2-CG1 4.21Å; I513-V577 HydrophobicContact CG2-CG2 4.04Å
514	P	94.7	Very high	93.1	Very high	79 Å²	79	43.4 Å²	43.4	51%	0.513	25%	0.253	S	S	.	.			trans	-74.4	166.1	175.8	32.4	-36.1	0	0	0	111.9	F529	P514-F529 WeakPolarHBondContact O-CE2 3.5Å
515	T	95.3	Very high	93	Very high	96 Å²	96	45.9 Å²	45.9	59%	0.589	27%	0.27	S	S	*	.			trans	-67	160	166.3	55.2	0	0	0	0	111.3	F529 A531	T515-F529 WeakPolarHBondContact CB-O 3.15Å; T515-A531 HydrophobicContact CG2-CB 4.23Å
516	G	94.3	Very high	92.8	Very high	25 Å²	25	45.8 Å²	45.8	26%	0.258	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	-159.8	-178.4	0	0	0	0	0	114.6	K528 F529	G516-K528 CarbonylContact O-C 3.6Å; G516-K528 WeakPolarHBondContact O-CA 3.34Å; G516-F529 VanDerWaalsContact CA-CE1 3.43Å; G516-F529 PolarHBondContact N-O 3.1Å; G516-F529 WeakPolarHBondContact O-CD1 3.27Å; G516-F529 PolarHBondContact O-N 3.36Å
517	I	94.3	Very high	92.7	Very high	99 Å²	99	50.7 Å²	50.7	51%	0.508	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.1	176	-54.1	-59.7	0	0	0	109.3	G519 G526 K528	I517-G519 PolarHBondContact O-N 2.65Å; I517-G526 WeakPolarHBondContact CG2-O 3.49Å; I517-K528 HydrophobicContact CD1-CB 4.48Å; I517-K528 HydrophobicContact CD1-CG 3.55Å
518	Q	94.3	Very high	92.6	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.019	34%	0.34	C	S	.	.			trans	-68.4	115.5	175.9	-72.3	-173	58.5	0	0	110.6	H522 N524 G526 K527 K528 F529 I565 D575	Q518-H522 HydrophobicContact CB-CB 3.99Å; Q518-H522 HydrophobicContact CG-CB 4.07Å; Q518-N524 VanDerWaalsContact CB-O 3.23Å; Q518-N524 WeakPolarHBondContact CB-O 3.49Å; Q518-N524 PolarHBondContact OE1-O 3.07Å; Q518-G526 PolarHBondContact O-N 3.38Å; Q518-K527 WeakPolarHBondContact CB-O 3.4Å; Q518-K527 WeakPolarHBondContact CG-O 3.19Å; Q518-K527 PolarHBondContact N-O 2.84Å; Q518-K528 PolarHBondContact NE2-O 3.27Å; Q518-F529 HydrophobicContact CG-CB 4.09Å; Q518-F529 HydrophobicContact CG-CD1 4.09Å; Q518-I565 HydrophobicContact CG-CD1 4Å; Q518-I565 HydrophobicContact CG-CG2 4.35Å; Q518-D575 PolarHBondContact NE2-OD1 3.48Å
519	G	86.1	Confident	92.7	Very high	22 Å²	22	56.4 Å²	56.4	23%	0.227	33%	0.333	C	S	.	.			trans	-66.4	170.8	165.1	0	0	0	0	0	112.8	I517 E521 H522	I517-G519 PolarHBondContact O-N 2.65Å; G519-E521 VanDerWaalsContact C-OE2 3.24Å; G519-E521 WeakPolarHBondContact CA-OE2 3.31Å; G519-E521 PolarHBondContact O-N 3.03Å; G519-H522 WeakPolarHBondContact CA-ND1 3.28Å; G519-H522 PolarHBondContact N-CE1 3.26Å; G519-H522 PolarHBondContact N-ND1 2.76Å; G519-H522 PolarHBondContact O-N 3.26Å; G519-H522 VanDerWaalsContact O-N 3.15Å; G519-H522 PolarHBondContact O-ND1 2.93Å
520	P	86	Confident	92.7	Very high	109 Å²	109	58.3 Å²	58.3	71%	0.708	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-7.9	-174.8	29.1	-37.4	0	0	0	115.3
521	E	80.1	Confident	92.6	Very high	69 Å²	69	58.3 Å²	58.3	32%	0.322	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.6	175.2	70.7	-93.7	-126.6	0	0	115	T483 G519 R560	T483-E521 HydrophobicContact CG2-CB 4.13Å; T483-E521 HydrophobicContact CG2-CG 3.96Å; T483-E521 VanDerWaalsContact CG2-O 3.26Å; T483-E521 WeakPolarHBondContact CG2-O 3.39Å; G519-E521 VanDerWaalsContact C-OE2 3.24Å; G519-E521 WeakPolarHBondContact CA-OE2 3.31Å; G519-E521 PolarHBondContact O-N 3.03Å; E521-R560 IonicContact OE1-CZ 2.74Å; E521-R560 VanDerWaalsContact OE1-CZ 3.26Å; E521-R560 IonicContact OE1-NH1 3.73Å; E521-R560 PolarHBondContact OE1-NH1 2.85Å; E521-R560 IonicContact OE1-NH2 3.66Å; E521-R560 PolarHBondContact OE1-NH2 2.73Å
522	H	89.2	Confident	92.4	Very high	17 Å²	17	64.7 Å²	64.7	8%	0.079	37%	0.371	C	S	.	.	S	Bend	trans	-106.7	166.7	-176.1	-45.5	91.1	0	0	0	111.6	T483 Q518 G519 N524 P525 I565	T483-H522 PolarHBondContact O-CD2 3.3Å; T483-H522 VanDerWaalsContact O-CD2 3.3Å; T483-H522 PolarHBondContact O-NE2 3.45Å; Q518-H522 HydrophobicContact CB-CB 3.99Å; Q518-H522 HydrophobicContact CG-CB 4.07Å; G519-H522 WeakPolarHBondContact CA-ND1 3.28Å; G519-H522 PolarHBondContact N-CE1 3.26Å; G519-H522 PolarHBondContact N-ND1 2.76Å; G519-H522 PolarHBondContact O-N 3.26Å; G519-H522 VanDerWaalsContact O-N 3.15Å; G519-H522 PolarHBondContact O-ND1 2.93Å; H522-N524 VanDerWaalsContact C-N 3.35Å; H522-N524 PolarHBondContact O-N 3.1Å; H522-P525 WeakPolarHBondContact O-CD 3.43Å; H522-I565 HydrophobicContact CB-CD1 4.46Å; H522-I565 VanDerWaalsContact CD2-CD1 3.45Å; H522-I565 WeakPolarHBondContact CD2-CD1 3.3Å
523	P	88	Confident	92.1	Very high	86 Å²	86	64.6 Å²	64.6	56%	0.558	39%	0.385	S	S	*	.	S	Bend	trans	-59.2	-34.8	-171.6	-27.7	36.7	0	0	0	116
524	N	90.9	Very high	91.9	Very high	73 Å²	73	66.2 Å²	66.2	39%	0.39	39%	0.393	S	S	.	.	S	Bend	trans	-128.7	77.7	-179	-68	-64.1	0	0	0	111.1	Q518 H522 G526 K527 D575	Q518-N524 VanDerWaalsContact CB-O 3.23Å; Q518-N524 WeakPolarHBondContact CB-O 3.49Å; Q518-N524 PolarHBondContact OE1-O 3.07Å; H522-N524 VanDerWaalsContact C-N 3.35Å; H522-N524 PolarHBondContact O-N 3.1Å; N524-G526 PolarHBondContact O-N 3.27Å; N524-K527 HydrophobicContact CB-CB 3.81Å; N524-K527 HydrophobicContact CB-CD 3.67Å; N524-K527 HydrophobicContact CB-CG 4.41Å; N524-K527 WeakPolarHBondContact O-CB 3.35Å; N524-K527 PolarHBondContact O-N 3.41Å; N524-K527 VanDerWaalsContact O-N 3.07Å; N524-D575 PolarHBondContact ND2-OD1 2.87Å
525	P	92.5	Very high	92	Very high	82 Å²	82	65.7 Å²	65.7	53%	0.532	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	138.6	-178.6	-27.8	37.6	0	0	0	113.3	H522 K527	H522-P525 WeakPolarHBondContact O-CD 3.43Å; P525-K527 PolarHBondContact O-N 2.69Å
526	G	91.3	Very high	92	Very high	58 Å²	58	62.9 Å²	62.9	60%	0.598	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-16.4	-175.8	0	0	0	0	0	115	I517 Q518 N524	I517-G526 WeakPolarHBondContact CG2-O 3.49Å; Q518-G526 PolarHBondContact O-N 3.38Å; N524-G526 PolarHBondContact O-N 3.27Å
527	K	94.9	Very high	92	Very high	104 Å²	104	64 Å²	64	45%	0.452	37%	0.366	S	S	.	.	S	Bend	trans	-73.4	151.2	175.4	-160.3	177.3	-178.4	-176.5	0	111	Q518 N524 P525 D575	Q518-K527 WeakPolarHBondContact CB-O 3.4Å; Q518-K527 WeakPolarHBondContact CG-O 3.19Å; Q518-K527 PolarHBondContact N-O 2.84Å; N524-K527 HydrophobicContact CB-CB 3.81Å; N524-K527 HydrophobicContact CB-CD 3.67Å; N524-K527 HydrophobicContact CB-CG 4.41Å; N524-K527 WeakPolarHBondContact O-CB 3.35Å; N524-K527 PolarHBondContact O-N 3.41Å; N524-K527 VanDerWaalsContact O-N 3.07Å; P525-K527 PolarHBondContact O-N 2.69Å; K527-D575 VanDerWaalsContact CE-OD2 3.29Å; K527-D575 WeakPolarHBondContact CE-OD2 3.41Å; K527-D575 IonicContact NZ-OD1 2.68Å; K527-D575 IonicContact NZ-OD2 3.37Å; K527-D575 PolarHBondContact NZ-OD2 3.38Å
528	K	95.3	Very high	92.2	Very high	163 Å²	163	59.4 Å²	59.4	71%	0.709	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	153	167.8	-76.3	174.2	178.9	178	0	110.5	G516 I517 Q518	G516-K528 CarbonylContact O-C 3.6Å; G516-K528 WeakPolarHBondContact O-CA 3.34Å; I517-K528 HydrophobicContact CD1-CB 4.48Å; I517-K528 HydrophobicContact CD1-CG 3.55Å; Q518-K528 PolarHBondContact NE2-O 3.27Å
529	F	97.6	Very high	92.3	Very high	11 Å²	11	59.2 Å²	59.2	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148	166.6	70.2	-99.4	0	0	0	111.5	P485 P514 T515 G516 Q518 I565 D575 V577	P485-F529 HydrophobicContact CB-CE1 4.08Å; P485-F529 HydrophobicContact CB-CE2 4.02Å; P485-F529 HydrophobicContact CB-CZ 3.49Å; P485-F529 VanDerWaalsContact CB-CZ 3.49Å; P485-F529 HydrophobicContact CG-CE2 3.99Å; P485-F529 HydrophobicContact CG-CZ 4Å; P514-F529 WeakPolarHBondContact O-CE2 3.5Å; T515-F529 WeakPolarHBondContact CB-O 3.15Å; G516-F529 VanDerWaalsContact CA-CE1 3.43Å; G516-F529 PolarHBondContact N-O 3.1Å; G516-F529 WeakPolarHBondContact O-CD1 3.27Å; G516-F529 PolarHBondContact O-N 3.36Å; Q518-F529 HydrophobicContact CG-CB 4.09Å; Q518-F529 HydrophobicContact CG-CD1 4.09Å; F529-I565 HydrophobicContact CB-CD1 3.88Å; F529-I565 HydrophobicContact CB-CG2 4.16Å; F529-I565 HydrophobicContact CD1-CD1 3.4Å; F529-I565 HydrophobicContact CD2-CD1 4Å; F529-I565 HydrophobicContact CE1-CD1 3.83Å; F529-I565 HydrophobicContact CE2-CD1 4.39Å; F529-I565 HydrophobicContact CG-CD1 3.5Å; F529-I565 VanDerWaalsContact CG-CD1 3.5Å; F529-I565 HydrophobicContact CG-CG1 4.42Å; F529-I565 HydrophobicContact CZ-CD1 4.32Å; F529-D575 CarbonylContact C-O 3.52Å; F529-D575 WeakPolarHBondContact CA-O 3.44Å; F529-D575 VanDerWaalsContact CB-O 3.24Å; F529-D575 WeakPolarHBondContact CB-O 3.48Å; F529-V577 HydrophobicContact CD2-CG2 3.67Å; F529-V577 HydrophobicContact CE2-CG2 3.69Å
530	T	96.3	Very high	92.9	Very high	39 Å²	39	58.3 Å²	58.3	24%	0.239	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-97.5	156.5	176.5	68.5	0	0	0	0	111.2	E573 D575 T576 V577	T530-E573 WeakPolarHBondContact CB-OE1 3.16Å; T530-E573 WeakPolarHBondContact CG2-OE1 3.29Å; T530-E573 VanDerWaalsContact OG1-CD 3.32Å; T530-E573 PolarHBondContact OG1-OE1 2.72Å; T530-D575 PolarHBondContact N-O 2.93Å; T530-T576 CarbonylContact O-C 2.94Å; T530-T576 VanDerWaalsContact O-CA 3.3Å; T530-T576 WeakPolarHBondContact O-CA 3.48Å; T530-T576 PolarHBondContact O-OG1 3.18Å; T530-T576 VanDerWaalsContact O-OG1 3.09Å; T530-T576 VanDerWaalsContact OG1-CB 3.28Å; T530-T576 WeakPolarHBondContact OG1-CB 3.23Å; T530-T576 PolarHBondContact OG1-OG1 2.91Å; T530-V577 WeakPolarHBondContact O-CG2 3.34Å; T530-V577 PolarHBondContact O-N 2.87Å
531	A	95.5	Very high	93.4	Very high	21 Å²	21	53.1 Å²	53.1	17%	0.174	30%	0.298	C	S	.	.			trans	-133.1	110.2	177.7	0	0	0	0	0	108.3	I513 T515 F534 V577	I513-A531 VanDerWaalsContact O-CB 3.25Å; I513-A531 WeakPolarHBondContact O-CB 3.3Å; T515-A531 HydrophobicContact CG2-CB 4.23Å; A531-F534 HydrophobicContact CB-CD2 3.93Å; A531-F534 HydrophobicContact CB-CE2 4.24Å; A531-V577 HydrophobicContact CB-CB 4.29Å; A531-V577 HydrophobicContact CB-CG2 3.97Å
532	R	91.9	Very high	94.2	Very high	133 Å²	133	51 Å²	51	50%	0.502	29%	0.289	S	S	.	.			trans	-104.7	140.3	-172.5	-56.3	-57	-173.8	-174.3	-1.5	112.1	F534 R536 E573	R532-F534 VanDerWaalsContact C-N 3.3Å; R532-F534 WeakPolarHBondContact O-CD2 3.4Å; R532-F534 PolarHBondContact O-N 2.79Å; R532-R536 PolarHBondContact O-NE 2.75Å; R532-R536 PolarHBondContact O-NH2 3.19Å; R532-E573 VanDerWaalsContact CG-OE2 3.31Å; R532-E573 WeakPolarHBondContact CG-OE2 3.34Å; R532-E573 IonicContact CZ-OE1 2.72Å; R532-E573 VanDerWaalsContact CZ-OE1 3.25Å; R532-E573 IonicContact CZ-OE2 3.09Å; R532-E573 VanDerWaalsContact NE-CD 3.33Å; R532-E573 IonicContact NE-OE1 3.22Å; R532-E573 PolarHBondContact NE-OE1 2.71Å; R532-E573 IonicContact NE-OE2 2.64Å; R532-E573 PolarHBondContact NE-OE2 2.99Å; R532-E573 IonicContact NH2-OE1 3.46Å; R532-E573 PolarHBondContact NH2-OE1 2.99Å; R532-E573 IonicContact NH2-OE2 3.1Å
533	G	89.3	Confident	94.5	Very high	64 Å²	64	52.1 Å²	52.1	66%	0.66	30%	0.296	S	S	*	.	S	Bend	trans	68.8	20.9	174.6	0	0	0	0	0	115.1	P535 R536	G533-P535 CarbonylContact O-C 3.56Å; G533-R536 WeakPolarHBondContact O-CG 3.48Å
534	F	93.1	Very high	94.8	Very high	37 Å²	37	55.2 Å²	55.2	16%	0.162	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-87.4	144.4	170.7	-70.8	-83.9	0	0	0	110.5	Y511 I513 A531 R532 R536 F563 V577	Y511-F534 WeakPolarHBondContact O-CD1 3.11Å; I513-F534 HydrophobicContact CB-CD1 4.06Å; I513-F534 HydrophobicContact CB-CD2 4.35Å; I513-F534 HydrophobicContact CB-CE1 3.85Å; I513-F534 HydrophobicContact CB-CE2 4.16Å; I513-F534 HydrophobicContact CB-CG 4.3Å; I513-F534 HydrophobicContact CB-CZ 3.91Å; I513-F534 HydrophobicContact CD1-CE1 3.95Å; I513-F534 HydrophobicContact CD1-CZ 3.91Å; I513-F534 HydrophobicContact CG1-CD1 4.28Å; I513-F534 HydrophobicContact CG1-CE1 3.78Å; I513-F534 HydrophobicContact CG1-CZ 4.06Å; A531-F534 HydrophobicContact CB-CD2 3.93Å; A531-F534 HydrophobicContact CB-CE2 4.24Å; R532-F534 VanDerWaalsContact C-N 3.3Å; R532-F534 WeakPolarHBondContact O-CD2 3.4Å; R532-F534 PolarHBondContact O-N 2.79Å; F534-R536 HydrophobicContact CD1-CB 4.26Å; F534-R536 HydrophobicContact CD1-CG 3.84Å; F534-R536 HydrophobicContact CE1-CB 4.28Å; F534-R536 HydrophobicContact CE1-CG 3.87Å; F534-R536 HydrophobicContact CG-CG 4.27Å; F534-R536 HydrophobicContact CZ-CG 4.3Å; F534-F563 AromaticContact CE1-CE1 3.94Å; F534-F563 HydrophobicContact CE1-CE1 3.94Å; F534-F563 HydrophobicContact CE1-CE2 4.36Å; F534-F563 AromaticContact CE1-CZ 3.84Å; F534-F563 HydrophobicContact CE1-CZ 3.84Å; F534-F563 AromaticContact CZ-CD1 3.96Å; F534-F563 HydrophobicContact CZ-CD1 3.96Å; F534-F563 AromaticContact CZ-CE1 3.73Å; F534-F563 HydrophobicContact CZ-CE1 3.73Å; F534-F563 HydrophobicContact CZ-CZ 4.09Å; F534-V577 HydrophobicContact CE2-CB 3.97Å; F534-V577 HydrophobicContact CE2-CG1 3.7Å; F534-V577 HydrophobicContact CZ-CB 4.45Å; F534-V577 HydrophobicContact CZ-CG1 3.68Å
535	P	95.4	Very high	95	Very high	68 Å²	68	55.6 Å²	55.6	44%	0.442	30%	0.301	S	S	.	.	S	Bend	cis	-70.3	134.3	-1.3	29.3	-35.3	0	0	0	112.9	V510 Y511 D512 G533	V510-P535 HydrophobicContact CG1-CB 3.83Å; Y511-P535 CarbonylContact O-C 3.56Å; Y511-P535 WeakPolarHBondContact O-CA 3.24Å; D512-P535 HydrophobicContact CB-CB 4.36Å; G533-P535 CarbonylContact O-C 3.56Å
536	R	95.9	Very high	95.1	Very high	36 Å²	36	51.7 Å²	51.7	14%	0.136	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	120.7	178.2	-70.8	-176	-172.8	174.7	12.3	109.4	V510 Y511 R532 G533 F534 V577 W579	V510-R536 WeakPolarHBondContact CA-O 3.35Å; Y511-R536 PolarHBondContact N-O 2.87Å; Y511-R536 PolarHBondContact O-N 2.69Å; R532-R536 PolarHBondContact O-NE 2.75Å; R532-R536 PolarHBondContact O-NH2 3.19Å; G533-R536 WeakPolarHBondContact O-CG 3.48Å; F534-R536 HydrophobicContact CD1-CB 4.26Å; F534-R536 HydrophobicContact CD1-CG 3.84Å; F534-R536 HydrophobicContact CE1-CB 4.28Å; F534-R536 HydrophobicContact CE1-CG 3.87Å; F534-R536 HydrophobicContact CG-CG 4.27Å; F534-R536 HydrophobicContact CZ-CG 4.3Å; R536-V577 PolarHBondContact NH2-O 2.83Å; R536-W579 HydrophobicContact CB-CZ2 4.27Å
537	H	95	Very high	95.3	Very high	50 Å²	50	52.1 Å²	52.1	23%	0.231	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	137	176.8	-66.6	-77.4	0	0	0	111	I509 Y539	I509-H537 WeakPolarHBondContact O-CA 3.39Å; H537-Y539 HydrophobicContact CB-CE1 4.48Å
538	C	96.9	Very high	95.3	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	157.3	177.1	-46.9	0	0	0	0	111.1	R508 I509 W579 H584 K585	R508-C538 CarbonylContact C-O 3.54Å; R508-C538 WeakPolarHBondContact CA-O 3.46Å; I509-C538 HydrophobicContact CB-CB 4.32Å; I509-C538 PolarHBondContact N-O 3.33Å; I509-C538 PolarHBondContact O-N 3.47Å; C538-W579 VanDerWaalsContact SG-CH2 3.56Å; C538-H584 HydrophobicContact CB-CB 4.25Å; C538-K585 CarbonylContact C-O 3.56Å; C538-K585 WeakPolarHBondContact CA-O 3.49Å
539	Y	97.6	Very high	95.3	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	133.1	-169	-44.8	-71.4	0	0	0	112.9	L360 H361 P362 T506 I507 R508 H537 K585 T586 F588 Y597	L360-Y539 WeakPolarHBondContact O-CE2 3.44Å; L360-Y539 PolarHBondContact O-OH 2.94Å; H361-Y539 PolarHBondContact ND1-OH 3.38Å; P362-Y539 WeakPolarHBondContact CD-OH 3.42Å; P362-Y539 HydrophobicContact CG-CE1 4.4Å; T506-Y539 HydrophobicContact CG2-CD1 4.27Å; I507-Y539 WeakPolarHBondContact O-CA 3.27Å; R508-Y539 HydrophobicContact CB-CD1 4.39Å; R508-Y539 HydrophobicContact CG-CD1 4.1Å; R508-Y539 HydrophobicContact CG-CE1 3.89Å; H537-Y539 HydrophobicContact CB-CE1 4.48Å; Y539-K585 PolarHBondContact N-O 3.01Å; Y539-T586 WeakPolarHBondContact CE2-O 3.24Å; Y539-F588 AromaticContact CD1-CD2 3.83Å; Y539-F588 HydrophobicContact CD1-CD2 3.83Å; Y539-F588 HydrophobicContact CD2-CB 3.95Å; Y539-F588 HydrophobicContact CD2-CD2 4.22Å; Y539-F588 HydrophobicContact CE1-CB 4.49Å; Y539-F588 HydrophobicContact CE1-CD2 4.11Å; Y539-F588 HydrophobicContact CE2-CB 3.67Å; Y539-F588 HydrophobicContact CE2-CD2 4.47Å; Y539-F588 HydrophobicContact CG-CB 4.47Å; Y539-F588 AromaticContact CG-CD2 3.89Å; Y539-F588 HydrophobicContact CG-CD2 3.89Å; Y539-Y597 WeakPolarHBondContact O-CE2 3.46Å; Y539-Y597 PolarHBondContact O-OH 3.36Å
540	L	97.9	Very high	95.3	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.6	169.3	-50.5	174.2	0	0	0	109.4	T506 I507 I509 V549 L550 L553 Y602 L603	T506-L540 WeakPolarHBondContact CG2-O 3.28Å; I507-L540 HydrophobicContact CB-CB 4.23Å; I507-L540 WeakPolarHBondContact CB-O 3.23Å; I507-L540 HydrophobicContact CD1-CB 4.46Å; I507-L540 PolarHBondContact N-O 2.76Å; I507-L540 PolarHBondContact O-N 3.26Å; I509-L540 HydrophobicContact CD1-CD1 3.98Å; I509-L540 HydrophobicContact CD1-CG 4.31Å; L540-V549 HydrophobicContact CD1-CB 4.19Å; L540-V549 HydrophobicContact CD1-CG1 3.78Å; L540-V549 HydrophobicContact CD2-CG1 4.03Å; L540-L550 HydrophobicContact CD1-CB 4.15Å; L540-L553 HydrophobicContact CD1-CD1 4.12Å; L540-Y602 HydrophobicContact CD2-CE1 3.66Å; L540-Y602 WeakPolarHBondContact CD2-OH 3.29Å; L540-L603 HydrophobicContact CD2-CD2 4.3Å
541	P	97.6	Very high	95.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	144	171.9	29.6	-35.6	0	0	0	111	L498 F501 N543 L603	L498-P541 HydrophobicContact CD1-CB 4.43Å; F501-P541 HydrophobicContact CB-CB 3.81Å; F501-P541 HydrophobicContact CD1-CB 3.88Å; F501-P541 HydrophobicContact CD1-CG 3.84Å; F501-P541 HydrophobicContact CD2-CB 3.98Å; F501-P541 HydrophobicContact CD2-CG 3.86Å; F501-P541 HydrophobicContact CE1-CB 4.47Å; F501-P541 HydrophobicContact CE1-CG 3.92Å; F501-P541 HydrophobicContact CE2-CG 3.95Å; F501-P541 HydrophobicContact CG-CB 3.6Å; F501-P541 HydrophobicContact CG-CG 3.81Å; F501-P541 HydrophobicContact CZ-CG 3.98Å; P541-N543 PolarHBondContact O-N 2.76Å; P541-L603 HydrophobicContact CG-CD1 3.85Å
542	N	96.5	Very high	95.1	Very high	25 Å²	25	44.4 Å²	44.4	13%	0.134	22%	0.216	C	C	.	.	S	Bend	trans	-80.1	50.8	175.7	-171.3	23.9	0	0	0	112	L493 Q505 I507 R547	L493-N542 WeakPolarHBondContact CD1-ND2 3.34Å; L493-N542 HydrophobicContact CD2-CB 3.79Å; L493-N542 WeakPolarHBondContact CD2-ND2 3.25Å; Q505-N542 HydrophobicContact CB-CB 4.13Å; Q505-N542 WeakPolarHBondContact O-CA 3.5Å; Q505-N542 WeakPolarHBondContact O-CB 3.14Å; Q505-N542 PolarHBondContact O-N 3.05Å; I507-N542 HydrophobicContact CG1-CB 4.19Å; N542-R547 PolarHBondContact O-NH1 3.04Å; N542-R547 PolarHBondContact OD1-NH1 2.97Å
543	N	94.9	Very high	95.3	Very high	41 Å²	41	38 Å²	38	22%	0.219	19%	0.192	C	C	.	.	S	Bend	trans	-100.7	178.5	166.4	65.2	28.7	0	0	0	110	F501 P541 K545 G546 R547	F501-N543 WeakPolarHBondContact CD1-ND2 3.29Å; F501-N543 WeakPolarHBondContact CE1-ND2 3.39Å; P541-N543 PolarHBondContact O-N 2.76Å; N543-K545 PolarHBondContact OD1-N 2.83Å; N543-G546 PolarHBondContact O-N 2.74Å; N543-G546 PolarHBondContact OD1-N 2.96Å; N543-R547 PolarHBondContact O-N 2.72Å
544	E	93.8	Very high	95.5	Very high	151 Å²	151	36 Å²	36	71%	0.706	17%	0.166	S	C	*	.	H	α-helix	trans	-61.6	-46.6	-177	-170	-175.3	162.8	0	0	112.7	G546 R547 K548	E544-G546 VanDerWaalsContact C-N 3.34Å; E544-G546 PolarHBondContact O-N 3.42Å; E544-R547 PolarHBondContact O-N 2.74Å; E544-K548 PolarHBondContact O-N 2.92Å
545	K	95	Very high	95.5	Very high	80 Å²	80	36.5 Å²	36.5	35%	0.348	17%	0.172	S	C	.	.	H	α-helix	trans	-61.8	-41.1	178.5	-164	-179.6	-63.3	-160.3	0	111.4	N543 K548 V549 L603 D604 L607	N543-K545 PolarHBondContact OD1-N 2.83Å; K545-K548 WeakPolarHBondContact O-CB 3.4Å; K545-K548 PolarHBondContact O-N 2.9Å; K545-V549 WeakPolarHBondContact O-CG2 3.42Å; K545-V549 PolarHBondContact O-N 2.81Å; K545-L603 HydrophobicContact CB-CD1 4.28Å; K545-L603 HydrophobicContact CD-CB 3.61Å; K545-L603 HydrophobicContact CD-CD1 4.24Å; K545-L603 HydrophobicContact CG-CB 4.08Å; K545-L603 HydrophobicContact CG-CD1 4.34Å; K545-D604 IonicContact NZ-OD1 3.14Å; K545-D604 PolarHBondContact NZ-OD1 2.82Å; K545-D604 IonicContact NZ-OD2 3.64Å; K545-D604 PolarHBondContact NZ-OD2 3Å; K545-L607 HydrophobicContact CD-CD1 4.37Å; K545-L607 HydrophobicContact CG-CD1 4.08Å
546	G	95.9	Very high	95.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-38.8	174.5	0	0	0	0	0	113.7	N543 E544 V549 L550	N543-G546 PolarHBondContact O-N 2.74Å; N543-G546 PolarHBondContact OD1-N 2.96Å; E544-G546 VanDerWaalsContact C-N 3.34Å; E544-G546 PolarHBondContact O-N 3.42Å; G546-V549 PolarHBondContact O-N 2.93Å; G546-L550 PolarHBondContact O-N 2.87Å
547	R	94.7	Very high	95.3	Very high	67 Å²	67	31.9 Å²	31.9	25%	0.253	15%	0.146	S	C	.	.	H	α-helix	trans	-66.5	-36.9	172	-73.2	-172.6	-66	-84.9	1.5	112.4	V373 I507 N542 N543 E544 L550 R551	V373-R547 HydrophobicContact CG1-CG 4.24Å; I507-R547 HydrophobicContact CD1-CG 4.1Å; N542-R547 PolarHBondContact O-NH1 3.04Å; N542-R547 PolarHBondContact OD1-NH1 2.97Å; N543-R547 PolarHBondContact O-N 2.72Å; E544-R547 PolarHBondContact O-N 2.74Å; R547-L550 PolarHBondContact O-N 3.29Å; R547-R551 PolarHBondContact O-N 3.26Å; R547-R551 VanDerWaalsContact O-N 3.1Å
548	K	94.8	Very high	95	Very high	73 Å²	73	34 Å²	34	32%	0.317	16%	0.156	S	C	.	.	H	α-helix	trans	-63	-46.7	172.3	174.7	168.2	175.8	134.1	0	112	E544 K545 L550 R551 L552 L607 E617	E544-K548 PolarHBondContact O-N 2.92Å; K545-K548 WeakPolarHBondContact O-CB 3.4Å; K545-K548 PolarHBondContact O-N 2.9Å; K548-L550 VanDerWaalsContact C-N 3.34Å; K548-L550 PolarHBondContact O-N 2.99Å; K548-R551 PolarHBondContact O-N 3.45Å; K548-L552 HydrophobicContact CG-CD1 4.33Å; K548-L552 PolarHBondContact O-N 2.77Å; K548-L607 HydrophobicContact CG-CD2 4.27Å; K548-E617 VanDerWaalsContact CD-OE2 3.31Å; K548-E617 WeakPolarHBondContact CD-OE2 3.3Å; K548-E617 WeakPolarHBondContact CE-OE2 3.21Å; K548-E617 IonicContact NZ-OE2 2.65Å; K548-E617 PolarHBondContact NZ-OE2 3.36Å
549	V	96.7	Very high	94.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.5	-44.4	173.1	170.9	0	0	0	0	111	L540 K545 G546 R551 L552 L553 L603 V606 L607	L540-V549 HydrophobicContact CD1-CB 4.19Å; L540-V549 HydrophobicContact CD1-CG1 3.78Å; L540-V549 HydrophobicContact CD2-CG1 4.03Å; K545-V549 WeakPolarHBondContact O-CG2 3.42Å; K545-V549 PolarHBondContact O-N 2.81Å; G546-V549 PolarHBondContact O-N 2.93Å; V549-R551 PolarHBondContact O-N 3.25Å; V549-L552 PolarHBondContact O-N 2.92Å; V549-L553 HydrophobicContact CG1-CD1 3.83Å; V549-L553 HydrophobicContact CG1-CG 4.1Å; V549-L553 WeakPolarHBondContact O-CG 3.34Å; V549-L553 PolarHBondContact O-N 3.32Å; V549-L603 HydrophobicContact CG2-CD2 4.25Å; V549-V606 HydrophobicContact CB-CG1 4.45Å; V549-V606 HydrophobicContact CG1-CG1 3.71Å; V549-V606 HydrophobicContact CG2-CG1 3.78Å; V549-L607 HydrophobicContact CG2-CD1 4.33Å; V549-L607 HydrophobicContact CG2-CD2 3.82Å; V549-L607 HydrophobicContact CG2-CG 3.78Å
550	L	96	Very high	94.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-46	177.1	178.5	66.3	0	0	0	112.7	V373 V376 M489 F491 I507 I509 L540 G546 R547 K548 L552 L553 I554	V373-L550 HydrophobicContact CB-CD2 4.1Å; V373-L550 HydrophobicContact CG1-CD2 3.79Å; V373-L550 HydrophobicContact CG2-CD2 4.03Å; V376-L550 HydrophobicContact CB-CD2 4.42Å; V376-L550 HydrophobicContact CG1-CD2 4.26Å; V376-L550 HydrophobicContact CG2-CD2 4.15Å; M489-L550 HydrophobicContact CE-CD1 4.32Å; F491-L550 HydrophobicContact CB-CD1 4.2Å; F491-L550 HydrophobicContact CD1-CD1 4.24Å; F491-L550 HydrophobicContact CD2-CD1 4.4Å; F491-L550 HydrophobicContact CD2-CD2 3.83Å; F491-L550 HydrophobicContact CE2-CD2 4.12Å; F491-L550 HydrophobicContact CG-CD1 4.01Å; F491-L550 HydrophobicContact CG-CD2 4.29Å; I507-L550 HydrophobicContact CD1-CD2 4.3Å; I507-L550 HydrophobicContact CG2-CD1 4.22Å; I507-L550 HydrophobicContact CG2-CD2 3.96Å; I509-L550 HydrophobicContact CD1-CD1 3.73Å; I509-L550 HydrophobicContact CG1-CD1 3.97Å; L540-L550 HydrophobicContact CD1-CB 4.15Å; G546-L550 PolarHBondContact O-N 2.87Å; R547-L550 PolarHBondContact O-N 3.29Å; K548-L550 VanDerWaalsContact C-N 3.34Å; K548-L550 PolarHBondContact O-N 2.99Å; L550-L552 VanDerWaalsContact C-N 3.3Å; L550-L552 PolarHBondContact O-N 3.25Å; L550-L553 PolarHBondContact O-N 3.39Å; L550-I554 HydrophobicContact CD1-CD1 4.28Å; L550-I554 HydrophobicContact CD1-CG1 4.49Å; L550-I554 HydrophobicContact CG-CD1 4.09Å; L550-I554 WeakPolarHBondContact O-CG1 3.48Å; L550-I554 PolarHBondContact O-N 2.71Å
551	R	94	Very high	94.3	Very high	95 Å²	95	39.3 Å²	39.3	36%	0.358	18%	0.176	S	C	.	.	H	α-helix	trans	-56.1	-46.5	176.9	-71.5	-170.6	-64.7	-98.2	7.6	111.4	V376 R547 K548 V549 I554 T555 E617	V376-R551 HydrophobicContact CG2-CG 4.16Å; R547-R551 PolarHBondContact O-N 3.26Å; R547-R551 VanDerWaalsContact O-N 3.1Å; K548-R551 PolarHBondContact O-N 3.45Å; V549-R551 PolarHBondContact O-N 3.25Å; R551-I554 PolarHBondContact O-N 3.41Å; R551-T555 PolarHBondContact O-N 3.39Å; R551-T555 VanDerWaalsContact O-N 3.15Å; R551-T555 PolarHBondContact O-OG1 2.79Å; R551-E617 IonicContact CZ-OE1 3.25Å; R551-E617 IonicContact NE-OE1 3.66Å; R551-E617 PolarHBondContact NE-OE1 3.12Å; R551-E617 IonicContact NH2-OE1 2.69Å; R551-E617 PolarHBondContact NH2-OE1 3.16Å; R551-E617 IonicContact NH2-OE2 3.94Å
552	L	94.8	Very high	94.2	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-70.6	-35.1	-179	-66.6	169.9	0	0	0	112.7	K548 V549 L550 I554 T555 A556 L607 L610 V615 S616 E617	K548-L552 HydrophobicContact CG-CD1 4.33Å; K548-L552 PolarHBondContact O-N 2.77Å; V549-L552 PolarHBondContact O-N 2.92Å; L550-L552 VanDerWaalsContact C-N 3.3Å; L550-L552 PolarHBondContact O-N 3.25Å; L552-I554 VanDerWaalsContact C-N 3.3Å; L552-I554 PolarHBondContact O-N 3.35Å; L552-T555 PolarHBondContact O-N 3.02Å; L552-A556 WeakPolarHBondContact O-CB 3.45Å; L552-A556 PolarHBondContact O-N 3.08Å; L552-L607 HydrophobicContact CD1-CD2 3.52Å; L552-L610 HydrophobicContact CB-CD1 3.72Å; L552-L610 HydrophobicContact CB-CD2 4.22Å; L552-L610 HydrophobicContact CB-CG 4.46Å; L552-V615 HydrophobicContact CB-CG1 4.21Å; L552-V615 HydrophobicContact CD2-CG1 4Å; L552-V615 WeakPolarHBondContact O-CG1 3.45Å; L552-S616 VanDerWaalsContact CD2-C 3.45Å; L552-E617 HydrophobicContact CD1-CG 4.32Å; L552-E617 HydrophobicContact CD2-CG 3.93Å; L552-E617 HydrophobicContact CG-CG 4.24Å
553	L	96.2	Very high	94.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.9	-35.1	171.4	-72.2	175.9	0	0	0	112.3	M489 I509 L540 V549 L550 A556 W557 I562 I582 L610	M489-L553 HydrophobicContact CE-CB 4.26Å; I509-L553 HydrophobicContact CD1-CD1 3.71Å; L540-L553 HydrophobicContact CD1-CD1 4.12Å; V549-L553 HydrophobicContact CG1-CD1 3.83Å; V549-L553 HydrophobicContact CG1-CG 4.1Å; V549-L553 WeakPolarHBondContact O-CG 3.34Å; V549-L553 PolarHBondContact O-N 3.32Å; L550-L553 PolarHBondContact O-N 3.39Å; L553-A556 PolarHBondContact O-N 3.5Å; L553-W557 VanDerWaalsContact O-CB 3.29Å; L553-W557 WeakPolarHBondContact O-CB 3.26Å; L553-W557 PolarHBondContact O-N 3.46Å; L553-I562 HydrophobicContact CD2-CD1 3.82Å; L553-I582 HydrophobicContact CD2-CG2 3.75Å; L553-L610 HydrophobicContact CD2-CD1 4.33Å; L553-L610 HydrophobicContact CD2-CD2 4.33Å; L553-L610 HydrophobicContact CG-CD1 4.47Å
554	I	93.8	Very high	94.3	Very high	21 Å²	21	37.5 Å²	37.5	11%	0.108	17%	0.167	C	C	.	.	H	α-helix	trans	-66.3	-46.1	173.9	-65.4	161	0	0	0	110.4	V376 M489 F491 L550 R551 L552 A556 W557 E558	V376-I554 HydrophobicContact CG1-CD1 3.37Å; M489-I554 HydrophobicContact CE-CG1 3.76Å; M489-I554 HydrophobicContact SD-CG1 3.98Å; F491-I554 HydrophobicContact CD1-CD1 4.23Å; F491-I554 HydrophobicContact CD1-CG1 4.5Å; F491-I554 HydrophobicContact CE1-CD1 3.47Å; F491-I554 VanDerWaalsContact CE1-CD1 3.47Å; F491-I554 HydrophobicContact CE1-CG1 3.99Å; F491-I554 HydrophobicContact CZ-CD1 3.66Å; L550-I554 HydrophobicContact CD1-CD1 4.28Å; L550-I554 HydrophobicContact CD1-CG1 4.49Å; L550-I554 HydrophobicContact CG-CD1 4.09Å; L550-I554 WeakPolarHBondContact O-CG1 3.48Å; L550-I554 PolarHBondContact O-N 2.71Å; R551-I554 PolarHBondContact O-N 3.41Å; L552-I554 VanDerWaalsContact C-N 3.3Å; L552-I554 PolarHBondContact O-N 3.35Å; I554-A556 VanDerWaalsContact C-N 3.32Å; I554-A556 PolarHBondContact O-N 3.34Å; I554-W557 WeakPolarHBondContact O-CB 3.15Å; I554-W557 PolarHBondContact O-N 2.86Å; I554-E558 WeakPolarHBondContact O-CG 3.4Å; I554-E558 PolarHBondContact O-N 3.35Å
555	T	91.5	Very high	94.3	Very high	48 Å²	48	30.5 Å²	30.5	29%	0.294	13%	0.134	S	C	.	.	H	α-helix	trans	-61.8	-38.5	174.6	-54	0	0	0	0	112.3	R551 L552 R559 V615	R551-T555 PolarHBondContact O-N 3.39Å; R551-T555 VanDerWaalsContact O-N 3.15Å; R551-T555 PolarHBondContact O-OG1 2.79Å; L552-T555 PolarHBondContact O-N 3.02Å; T555-R559 WeakPolarHBondContact O-CB 3.49Å; T555-R559 VanDerWaalsContact O-CG 3.3Å; T555-R559 WeakPolarHBondContact O-CG 3.46Å; T555-R559 PolarHBondContact O-N 3.26Å; T555-V615 HydrophobicContact CG2-CG1 4.01Å
556	A	93.6	Very high	94.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.6	-39.5	174.4	0	0	0	0	0	112.1	L552 L553 I554 R559 R560 L561 I562 I582 L610 V615	L552-A556 WeakPolarHBondContact O-CB 3.45Å; L552-A556 PolarHBondContact O-N 3.08Å; L553-A556 PolarHBondContact O-N 3.5Å; I554-A556 VanDerWaalsContact C-N 3.32Å; I554-A556 PolarHBondContact O-N 3.34Å; A556-R559 CarbonylContact O-C 3.54Å; A556-R559 PolarHBondContact O-N 3.37Å; A556-R560 PolarHBondContact O-N 2.86Å; A556-R560 VanDerWaalsContact O-N 3.13Å; A556-L561 HydrophobicContact CB-CB 4.22Å; A556-L561 WeakPolarHBondContact O-CB 3.05Å; A556-L561 PolarHBondContact O-N 2.92Å; A556-I562 HydrophobicContact CB-CD1 3.67Å; A556-I562 HydrophobicContact CB-CG1 4.45Å; A556-I582 HydrophobicContact CB-CD1 3.86Å; A556-L610 HydrophobicContact CB-CD2 3.75Å; A556-V615 HydrophobicContact CB-CG1 4.31Å; A556-V615 HydrophobicContact CB-CG2 4.13Å
557	W	94	Very high	93.9	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.027	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-45.9	173.7	169.9	-95.1	0	0	0	112.2	Q484 K488 M489 Y511 I513 L553 I554 R559 R560 I562 F563	Q484-W557 VanDerWaalsContact NE2-CZ3 3.31Å; Q484-W557 PolarHBondContact NE2-O 3.07Å; K488-W557 VanDerWaalsContact C-CZ2 3.41Å; K488-W557 VanDerWaalsContact N-CZ2 3.34Å; M489-W557 HydrophobicContact CB-CD2 3.69Å; M489-W557 HydrophobicContact CB-CE3 4.23Å; M489-W557 HydrophobicContact CB-CG 3.96Å; M489-W557 HydrophobicContact CB-CZ2 4.05Å; M489-W557 HydrophobicContact CG-CD2 4.45Å; M489-W557 HydrophobicContact CG-CG 4.45Å; M489-W557 HydrophobicContact SD-CB 3.7Å; M489-W557 HydrophobicContact SD-CD2 4.23Å; M489-W557 HydrophobicContact SD-CG 3.69Å; Y511-W557 HydrophobicContact CD1-CD2 4.42Å; Y511-W557 AromaticContact CD1-CE3 3.58Å; Y511-W557 HydrophobicContact CD1-CE3 3.58Å; Y511-W557 HydrophobicContact CD1-CH2 4.42Å; Y511-W557 AromaticContact CD1-CZ3 3.58Å; Y511-W557 HydrophobicContact CD1-CZ3 3.58Å; Y511-W557 HydrophobicContact CE1-CD2 4.3Å; Y511-W557 AromaticContact CE1-CE3 3.62Å; Y511-W557 HydrophobicContact CE1-CE3 3.62Å; Y511-W557 HydrophobicContact CE1-CZ3 4.12Å; Y511-W557 HydrophobicContact CG-CZ3 4.49Å; I513-W557 HydrophobicContact CD1-CH2 4.32Å; I513-W557 HydrophobicContact CD1-CZ3 4.19Å; I513-W557 HydrophobicContact CG1-CH2 4.24Å; L553-W557 VanDerWaalsContact O-CB 3.29Å; L553-W557 WeakPolarHBondContact O-CB 3.26Å; L553-W557 PolarHBondContact O-N 3.46Å; I554-W557 WeakPolarHBondContact O-CB 3.15Å; I554-W557 PolarHBondContact O-N 2.86Å; W557-R559 VanDerWaalsContact C-N 3.31Å; W557-R559 PolarHBondContact O-N 2.68Å; W557-R560 PolarHBondContact O-N 2.91Å; W557-I562 HydrophobicContact CB-CG1 3.96Å; W557-I562 HydrophobicContact CE3-CB 4.45Å; W557-I562 HydrophobicContact CE3-CG1 4.29Å; W557-F563 HydrophobicContact CE3-CE2 4.45Å; W557-F563 HydrophobicContact CZ3-CD2 4.04Å; W557-F563 AromaticContact CZ3-CE2 3.93Å; W557-F563 HydrophobicContact CZ3-CE2 3.93Å
558	E	89.5	Confident	93.4	Very high	94 Å²	94	29.1 Å²	29.1	44%	0.439	14%	0.144	S	C	.	.	H	α-helix	trans	-60.8	-40.1	175.3	-72.9	171.6	175.5	0	0	111.9	I554 R560	I554-E558 WeakPolarHBondContact O-CG 3.4Å; I554-E558 PolarHBondContact O-N 3.35Å; E558-R560 PolarHBondContact O-N 2.7Å
559	R	89.8	Confident	92.7	Very high	52 Å²	52	33.7 Å²	33.7	20%	0.196	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	5.6	173.1	-70.6	175.5	174.6	179.8	-3.8	114.4	E479 T481 G482 T555 A556 W557 L561 G614	E479-R559 HydrophobicContact CG-CG 4.35Å; E479-R559 IonicContact OE2-CZ 2.99Å; E479-R559 IonicContact OE2-NE 3.71Å; E479-R559 PolarHBondContact OE2-NE 3.46Å; E479-R559 IonicContact OE2-NH2 2.66Å; E479-R559 PolarHBondContact OE2-NH2 2.76Å; T481-R559 CarbonylContact C-O 3.52Å; T481-R559 WeakPolarHBondContact CA-O 3.48Å; T481-R559 WeakPolarHBondContact CB-O 3.44Å; T481-R559 HydrophobicContact CG2-CB 4.31Å; T481-R559 HydrophobicContact CG2-CG 4.41Å; G482-R559 PolarHBondContact N-O 2.72Å; T555-R559 WeakPolarHBondContact O-CB 3.49Å; T555-R559 VanDerWaalsContact O-CG 3.3Å; T555-R559 WeakPolarHBondContact O-CG 3.46Å; T555-R559 PolarHBondContact O-N 3.26Å; A556-R559 CarbonylContact O-C 3.54Å; A556-R559 PolarHBondContact O-N 3.37Å; W557-R559 VanDerWaalsContact C-N 3.31Å; W557-R559 PolarHBondContact O-N 2.68Å; R559-L561 HydrophobicContact CB-CD1 3.73Å; R559-L561 HydrophobicContact CB-CG 3.98Å; R559-L561 PolarHBondContact O-N 2.83Å; R559-G614 PolarHBondContact NH1-O 2.91Å
560	R	92.9	Very high	91.7	Very high	62 Å²	62	39.6 Å²	39.6	23%	0.234	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	33.7	178.1	-59.6	177.3	70.8	-168.4	7.5	114.5	G482 T483 Q484 E521 A556 W557 E558	G482-R560 CarbonylContact C-O 3.54Å; G482-R560 VanDerWaalsContact C-O 3.27Å; G482-R560 WeakPolarHBondContact CA-O 3.4Å; G482-R560 VanDerWaalsContact O-CB 3.26Å; G482-R560 WeakPolarHBondContact O-CB 3.4Å; G482-R560 PolarHBondContact O-NE 2.85Å; T483-R560 PolarHBondContact N-O 2.93Å; Q484-R560 HydrophobicContact CB-CB 3.66Å; Q484-R560 HydrophobicContact CB-CG 4.34Å; Q484-R560 VanDerWaalsContact CB-O 3.27Å; Q484-R560 WeakPolarHBondContact CB-O 3.44Å; Q484-R560 PolarHBondContact N-O 2.81Å; Q484-R560 VanDerWaalsContact O-CZ 3.23Å; Q484-R560 PolarHBondContact O-NE 2.95Å; Q484-R560 PolarHBondContact O-NH2 3.4Å; E521-R560 IonicContact OE1-CZ 2.74Å; E521-R560 VanDerWaalsContact OE1-CZ 3.26Å; E521-R560 IonicContact OE1-NH1 3.73Å; E521-R560 PolarHBondContact OE1-NH1 2.85Å; E521-R560 IonicContact OE1-NH2 3.66Å; E521-R560 PolarHBondContact OE1-NH2 2.73Å; A556-R560 PolarHBondContact O-N 2.86Å; A556-R560 VanDerWaalsContact O-N 3.13Å; W557-R560 PolarHBondContact O-N 2.91Å; E558-R560 PolarHBondContact O-N 2.7Å
561	L	93.5	Very high	90.9	Very high	2 Å²	2	44 Å²	44	1%	0.01	24%	0.235	C	C	.	.			trans	-104.6	-6	-171.3	-64.7	168.8	0	0	0	115.7	K480 A556 R559 N580 I582 Q613 V615	K480-L561 HydrophobicContact CG-CD2 4.24Å; A556-L561 HydrophobicContact CB-CB 4.22Å; A556-L561 WeakPolarHBondContact O-CB 3.05Å; A556-L561 PolarHBondContact O-N 2.92Å; R559-L561 HydrophobicContact CB-CD1 3.73Å; R559-L561 HydrophobicContact CB-CG 3.98Å; R559-L561 PolarHBondContact O-N 2.83Å; L561-N580 WeakPolarHBondContact O-CB 3.23Å; L561-N580 PolarHBondContact O-ND2 3.08Å; L561-I582 HydrophobicContact CB-CD1 4.24Å; L561-Q613 HydrophobicContact CD1-CB 4.28Å; L561-V615 HydrophobicContact CD1-CG2 3.58Å
562	I	96.6	Very high	90.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-81.3	-38.7	-176	-52.9	-65.1	0	0	0	112	Q484 Y511 L553 A556 W557 W579 N580 I582	Q484-I562 VanDerWaalsContact OE1-N 3.08Å; Y511-I562 HydrophobicContact CE1-CG1 4.45Å; Y511-I562 HydrophobicContact CE1-CG2 4.24Å; Y511-I562 HydrophobicContact CE2-CG2 4.17Å; L553-I562 HydrophobicContact CD2-CD1 3.82Å; A556-I562 HydrophobicContact CB-CD1 3.67Å; A556-I562 HydrophobicContact CB-CG1 4.45Å; W557-I562 HydrophobicContact CB-CG1 3.96Å; W557-I562 HydrophobicContact CE3-CB 4.45Å; W557-I562 HydrophobicContact CE3-CG1 4.29Å; I562-W579 HydrophobicContact CG2-CE3 4.07Å; I562-W579 HydrophobicContact CG2-CZ3 3.7Å; I562-N580 WeakPolarHBondContact O-CB 3.36Å; I562-N580 PolarHBondContact O-N 2.96Å; I562-I582 HydrophobicContact CD1-CD1 4.16Å
563	F	96.9	Very high	90.2	Very high	1 Å²	1	44 Å²	44	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	161.5	178.6	-53.2	-89.6	0	0	0	111.4	Q484 Y511 I513 F534 W557 V577 V578 W579	Q484-F563 WeakPolarHBondContact CA-O 3.47Å; Q484-F563 VanDerWaalsContact CB-O 3.23Å; Q484-F563 WeakPolarHBondContact CB-O 3.46Å; Q484-F563 HydrophobicContact CG-CB 4.14Å; Q484-F563 HydrophobicContact CG-CD2 4.4Å; Q484-F563 PolarHBondContact N-O 3.04Å; Y511-F563 AromaticContact CD1-CE2 3.83Å; Y511-F563 HydrophobicContact CD1-CE2 3.83Å; Y511-F563 HydrophobicContact CD1-CZ 4.38Å; Y511-F563 AromaticContact CD2-CE2 3.97Å; Y511-F563 HydrophobicContact CD2-CE2 3.97Å; Y511-F563 AromaticContact CD2-CZ 3.71Å; Y511-F563 HydrophobicContact CD2-CZ 3.71Å; Y511-F563 HydrophobicContact CE1-CE2 4.35Å; Y511-F563 HydrophobicContact CE2-CE2 4.47Å; Y511-F563 HydrophobicContact CE2-CZ 4.35Å; Y511-F563 AromaticContact CG-CE2 3.6Å; Y511-F563 HydrophobicContact CG-CE2 3.6Å; Y511-F563 AromaticContact CG-CZ 3.7Å; Y511-F563 HydrophobicContact CG-CZ 3.7Å; I513-F563 HydrophobicContact CD1-CB 4.14Å; I513-F563 HydrophobicContact CD1-CD2 3.42Å; I513-F563 VanDerWaalsContact CD1-CD2 3.42Å; I513-F563 HydrophobicContact CD1-CE2 3.89Å; I513-F563 HydrophobicContact CD1-CG 3.78Å; F534-F563 AromaticContact CE1-CE1 3.94Å; F534-F563 HydrophobicContact CE1-CE1 3.94Å; F534-F563 HydrophobicContact CE1-CE2 4.36Å; F534-F563 AromaticContact CE1-CZ 3.84Å; F534-F563 HydrophobicContact CE1-CZ 3.84Å; F534-F563 AromaticContact CZ-CD1 3.96Å; F534-F563 HydrophobicContact CZ-CD1 3.96Å; F534-F563 AromaticContact CZ-CE1 3.73Å; F534-F563 HydrophobicContact CZ-CE1 3.73Å; F534-F563 HydrophobicContact CZ-CZ 4.09Å; W557-F563 HydrophobicContact CE3-CE2 4.45Å; W557-F563 HydrophobicContact CZ3-CD2 4.04Å; W557-F563 AromaticContact CZ3-CE2 3.93Å; W557-F563 HydrophobicContact CZ3-CE2 3.93Å; F563-V577 HydrophobicContact CB-CG1 3.91Å; F563-V577 HydrophobicContact CD1-CG1 4.22Å; F563-V577 HydrophobicContact CG-CG1 4.23Å; F563-V578 VanDerWaalsContact CA-O 3.26Å; F563-V578 WeakPolarHBondContact CA-O 3.49Å; F563-V578 VanDerWaalsContact CB-O 3.29Å; F563-V578 WeakPolarHBondContact CB-O 3.29Å; F563-V578 WeakPolarHBondContact CD1-O 3.32Å; F563-W579 HydrophobicContact CD1-CD2 4.19Å; F563-W579 AromaticContact CD1-CE3 3.86Å; F563-W579 HydrophobicContact CD1-CE3 3.86Å; F563-W579 HydrophobicContact CD1-CZ3 4.23Å; F563-W579 AromaticContact CE1-CD2 3.68Å; F563-W579 HydrophobicContact CE1-CD2 3.68Å; F563-W579 AromaticContact CE1-CE3 3.32Å; F563-W579 HydrophobicContact CE1-CE3 3.32Å; F563-W579 AromaticContact CE1-CH2 3.67Å; F563-W579 HydrophobicContact CE1-CH2 3.67Å; F563-W579 HydrophobicContact CE1-CZ2 4.02Å; F563-W579 AromaticContact CE1-CZ3 3.32Å; F563-W579 HydrophobicContact CE1-CZ3 3.32Å; F563-W579 HydrophobicContact CE2-CZ3 4.18Å; F563-W579 AromaticContact CZ-CE3 3.81Å; F563-W579 HydrophobicContact CZ-CE3 3.81Å; F563-W579 AromaticContact CZ-CH2 3.59Å; F563-W579 HydrophobicContact CZ-CH2 3.59Å; F563-W579 HydrophobicContact CZ-CZ2 4.32Å; F563-W579 AromaticContact CZ-CZ3 3.3Å; F563-W579 HydrophobicContact CZ-CZ3 3.3Å
564	T	95.4	Very high	90	Very high	27 Å²	27	47.1 Å²	47.1	17%	0.166	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	170.5	171.7	-176.7	0	0	0	0	110	T483 V577 V578 N580	T483-T564 PolarHBondContact OG1-OG1 2.9Å; T564-V577 WeakPolarHBondContact O-CA 3.4Å; T564-V578 HydrophobicContact CG2-CG2 3.56Å; T564-V578 PolarHBondContact N-O 2.95Å; T564-V578 PolarHBondContact O-N 3.25Å; T564-N580 HydrophobicContact CG2-CB 4.39Å
565	I	94.3	Very high	90.1	Very high	4 Å²	4	47 Å²	47	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.1	168.2	-58.6	-175.2	0	0	0	107.9	P485 Q518 H522 F529 T576	P485-I565 HydrophobicContact CB-CD1 4.33Å; P485-I565 HydrophobicContact CG-CD1 4.28Å; P485-I565 HydrophobicContact CG-CG1 4.17Å; Q518-I565 HydrophobicContact CG-CD1 4Å; Q518-I565 HydrophobicContact CG-CG2 4.35Å; H522-I565 HydrophobicContact CB-CD1 4.46Å; H522-I565 VanDerWaalsContact CD2-CD1 3.45Å; H522-I565 WeakPolarHBondContact CD2-CD1 3.3Å; F529-I565 HydrophobicContact CB-CD1 3.88Å; F529-I565 HydrophobicContact CB-CG2 4.16Å; F529-I565 HydrophobicContact CD1-CD1 3.4Å; F529-I565 HydrophobicContact CD2-CD1 4Å; F529-I565 HydrophobicContact CE1-CD1 3.83Å; F529-I565 HydrophobicContact CE2-CD1 4.39Å; F529-I565 HydrophobicContact CG-CD1 3.5Å; F529-I565 VanDerWaalsContact CG-CD1 3.5Å; F529-I565 HydrophobicContact CG-CG1 4.42Å; F529-I565 HydrophobicContact CZ-CD1 4.32Å; I565-T576 WeakPolarHBondContact CA-O 3.49Å
566	G	91.6	Very high	90.3	Very high	19 Å²	19	44.9 Å²	44.9	20%	0.196	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	-147.1	-176.7	0	0	0	0	0	112.1	S574 D575 T576	G566-S574 CarbonylContact O-C 3.56Å; G566-D575 PolarHBondContact O-N 3.17Å; G566-D575 VanDerWaalsContact O-N 3.09Å; G566-T576 PolarHBondContact N-O 3.1Å; G566-T576 PolarHBondContact O-N 3.43Å
567	T	91.2	Very high	90.4	Very high	82 Å²	82	44.9 Å²	44.9	50%	0.503	26%	0.263	S	S	.	.			trans	-107.2	131.6	177.1	-56.4	0	0	0	0	110.3	N569 E573	T567-N569 PolarHBondContact O-N 2.87Å; T567-E573 CarbonylContact C-O 3.59Å; T567-E573 WeakPolarHBondContact CA-O 3.42Å
568	S	84.1	Confident	90.5	Very high	16 Å²	16	45.6 Å²	45.6	11%	0.112	27%	0.268	C	S	.	.			trans	-76.2	114	-178.6	170	0	0	0	0	112.2	T570 T571 G572 E573	S568-T570 PolarHBondContact O-N 3.38Å; S568-T570 PolarHBondContact OG-N 3.17Å; S568-T570 PolarHBondContact OG-OG1 3.07Å; S568-T571 WeakPolarHBondContact CB-OG1 3.33Å; S568-T571 PolarHBondContact O-N 2.6Å; S568-T571 PolarHBondContact OG-N 3.44Å; S568-T571 PolarHBondContact OG-OG1 3.3Å; S568-G572 WeakPolarHBondContact O-CA 3.44Å; S568-G572 PolarHBondContact O-N 3.2Å; S568-E573 PolarHBondContact N-O 3.43Å
569	N	80.2	Confident	90.7	Very high	170 Å²	170	45.2 Å²	45.2	91%	0.909	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.6	176.2	-66.2	-9.2	0	0	0	114	T567	T567-N569 PolarHBondContact O-N 2.87Å
570	T	75.1	Confident	90.9	Very high	123 Å²	123	44.6 Å²	44.6	76%	0.755	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-13.3	-178.7	58.2	0	0	0	0	114.4	S568	S568-T570 PolarHBondContact O-N 3.38Å; S568-T570 PolarHBondContact OG-N 3.17Å; S568-T570 PolarHBondContact OG-OG1 3.07Å
571	T	79.8	Confident	90.8	Very high	93 Å²	93	47.6 Å²	47.6	57%	0.571	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	-10.9	-176.4	60.5	0	0	0	0	114.9	S568 E573	S568-T571 WeakPolarHBondContact CB-OG1 3.33Å; S568-T571 PolarHBondContact O-N 2.6Å; S568-T571 PolarHBondContact OG-N 3.44Å; S568-T571 PolarHBondContact OG-OG1 3.3Å; T571-E573 PolarHBondContact O-N 3.24Å; T571-E573 WeakPolarHBondContact OG1-CB 3.46Å; T571-E573 PolarHBondContact OG1-N 3.04Å
572	G	86.3	Confident	90.9	Very high	57 Å²	57	47.5 Å²	47.5	59%	0.588	28%	0.279	S	S	*	.			trans	69.2	0.9	-172.5	0	0	0	0	0	114.6	S568 S574	S568-G572 WeakPolarHBondContact O-CA 3.44Å; S568-G572 PolarHBondContact O-N 3.2Å; G572-S574 PolarHBondContact O-N 3.15Å
573	E	87.6	Confident	90.8	Very high	47 Å²	47	52.7 Å²	52.7	22%	0.22	30%	0.303	C	S	.	.			trans	-68.8	116.8	-179.9	-171.5	176	-179.5	0	0	109.9	T530 R532 T567 S568 T571 T576	T530-E573 WeakPolarHBondContact CB-OE1 3.16Å; T530-E573 WeakPolarHBondContact CG2-OE1 3.29Å; T530-E573 VanDerWaalsContact OG1-CD 3.32Å; T530-E573 PolarHBondContact OG1-OE1 2.72Å; R532-E573 VanDerWaalsContact CG-OE2 3.31Å; R532-E573 WeakPolarHBondContact CG-OE2 3.34Å; R532-E573 IonicContact CZ-OE1 2.72Å; R532-E573 VanDerWaalsContact CZ-OE1 3.25Å; R532-E573 IonicContact CZ-OE2 3.09Å; R532-E573 VanDerWaalsContact NE-CD 3.33Å; R532-E573 IonicContact NE-OE1 3.22Å; R532-E573 PolarHBondContact NE-OE1 2.71Å; R532-E573 IonicContact NE-OE2 2.64Å; R532-E573 PolarHBondContact NE-OE2 2.99Å; R532-E573 IonicContact NH2-OE1 3.46Å; R532-E573 PolarHBondContact NH2-OE1 2.99Å; R532-E573 IonicContact NH2-OE2 3.1Å; T567-E573 CarbonylContact C-O 3.59Å; T567-E573 WeakPolarHBondContact CA-O 3.42Å; S568-E573 PolarHBondContact N-O 3.43Å; T571-E573 PolarHBondContact O-N 3.24Å; T571-E573 WeakPolarHBondContact OG1-CB 3.46Å; T571-E573 PolarHBondContact OG1-N 3.04Å; E573-T576 HydrophobicContact CB-CG2 4.33Å; E573-T576 HydrophobicContact CG-CG2 4.43Å; E573-T576 WeakPolarHBondContact O-CG2 3.44Å
574	S	93.2	Very high	90.8	Very high	65 Å²	65	53 Å²	53	46%	0.455	31%	0.305	S	S	.	.	S	Bend	trans	-84	166.9	171.8	55	0	0	0	0	111.7	G566 G572 T576	G566-S574 CarbonylContact O-C 3.56Å; G572-S574 PolarHBondContact O-N 3.15Å; S574-T576 PolarHBondContact O-N 2.89Å
575	D	94.3	Very high	90.9	Very high	18 Å²	18	52.1 Å²	52.1	10%	0.096	30%	0.299	C	S	.	.	S	Bend	trans	54.6	39.3	-176.5	-57.6	-73.1	0	0	0	112.5	Q518 N524 K527 F529 T530 G566	Q518-D575 PolarHBondContact NE2-OD1 3.48Å; N524-D575 PolarHBondContact ND2-OD1 2.87Å; K527-D575 VanDerWaalsContact CE-OD2 3.29Å; K527-D575 WeakPolarHBondContact CE-OD2 3.41Å; K527-D575 IonicContact NZ-OD1 2.68Å; K527-D575 IonicContact NZ-OD2 3.37Å; K527-D575 PolarHBondContact NZ-OD2 3.38Å; F529-D575 CarbonylContact C-O 3.52Å; F529-D575 WeakPolarHBondContact CA-O 3.44Å; F529-D575 VanDerWaalsContact CB-O 3.24Å; F529-D575 WeakPolarHBondContact CB-O 3.48Å; T530-D575 PolarHBondContact N-O 2.93Å; G566-D575 PolarHBondContact O-N 3.17Å; G566-D575 VanDerWaalsContact O-N 3.09Å
576	T	95.7	Very high	90.9	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	156	-176	-155.3	0	0	0	0	113	T530 I565 G566 E573 S574 V578	T530-T576 CarbonylContact O-C 2.94Å; T530-T576 VanDerWaalsContact O-CA 3.3Å; T530-T576 WeakPolarHBondContact O-CA 3.48Å; T530-T576 PolarHBondContact O-OG1 3.18Å; T530-T576 VanDerWaalsContact O-OG1 3.09Å; T530-T576 VanDerWaalsContact OG1-CB 3.28Å; T530-T576 WeakPolarHBondContact OG1-CB 3.23Å; T530-T576 PolarHBondContact OG1-OG1 2.91Å; I565-T576 WeakPolarHBondContact CA-O 3.49Å; G566-T576 PolarHBondContact N-O 3.1Å; G566-T576 PolarHBondContact O-N 3.43Å; E573-T576 HydrophobicContact CB-CG2 4.33Å; E573-T576 HydrophobicContact CG-CG2 4.43Å; E573-T576 WeakPolarHBondContact O-CG2 3.44Å; S574-T576 PolarHBondContact O-N 2.89Å; T576-V578 HydrophobicContact CG2-CG1 3.71Å; T576-V578 PolarHBondContact O-N 3.13Å
577	V	96.8	Very high	90.9	Very high	1 Å²	1	53 Å²	53	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	107	177.6	-177.4	0	0	0	0	110.3	P485 I513 F529 T530 A531 F534 R536 F563 T564	P485-V577 HydrophobicContact CG-CG2 3.8Å; I513-V577 HydrophobicContact CD1-CG1 4.02Å; I513-V577 HydrophobicContact CG2-CG1 4.21Å; I513-V577 HydrophobicContact CG2-CG2 4.04Å; F529-V577 HydrophobicContact CD2-CG2 3.67Å; F529-V577 HydrophobicContact CE2-CG2 3.69Å; T530-V577 WeakPolarHBondContact O-CG2 3.34Å; T530-V577 PolarHBondContact O-N 2.87Å; A531-V577 HydrophobicContact CB-CB 4.29Å; A531-V577 HydrophobicContact CB-CG2 3.97Å; F534-V577 HydrophobicContact CE2-CB 3.97Å; F534-V577 HydrophobicContact CE2-CG1 3.7Å; F534-V577 HydrophobicContact CZ-CB 4.45Å; F534-V577 HydrophobicContact CZ-CG1 3.68Å; R536-V577 PolarHBondContact NH2-O 2.83Å; F563-V577 HydrophobicContact CB-CG1 3.91Å; F563-V577 HydrophobicContact CD1-CG1 4.22Å; F563-V577 HydrophobicContact CG-CG1 4.23Å; T564-V577 WeakPolarHBondContact O-CA 3.4Å
578	V	95	Very high	91	Very high	21 Å²	21	49.6 Å²	49.6	13%	0.127	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	159.6	-179.6	-61.6	0	0	0	0	111	F563 T564 T576	F563-V578 VanDerWaalsContact CA-O 3.26Å; F563-V578 WeakPolarHBondContact CA-O 3.49Å; F563-V578 VanDerWaalsContact CB-O 3.29Å; F563-V578 WeakPolarHBondContact CB-O 3.29Å; F563-V578 WeakPolarHBondContact CD1-O 3.32Å; T564-V578 HydrophobicContact CG2-CG2 3.56Å; T564-V578 PolarHBondContact N-O 2.95Å; T564-V578 PolarHBondContact O-N 3.25Å; T576-V578 HydrophobicContact CG2-CG1 3.71Å; T576-V578 PolarHBondContact O-N 3.13Å
579	W	94.9	Very high	91.2	Very high	86 Å²	86	50 Å²	50	33%	0.326	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	145.1	164.8	-67.5	111	0	0	0	109.5	Y511 R536 C538 I562 F563 H584 T586	Y511-W579 AromaticContact CD2-CH2 3.95Å; Y511-W579 HydrophobicContact CD2-CH2 3.95Å; Y511-W579 HydrophobicContact CD2-CZ3 4.25Å; Y511-W579 HydrophobicContact CE2-CH2 4.07Å; Y511-W579 HydrophobicContact CE2-CZ3 4.1Å; R536-W579 HydrophobicContact CB-CZ2 4.27Å; C538-W579 VanDerWaalsContact SG-CH2 3.56Å; I562-W579 HydrophobicContact CG2-CE3 4.07Å; I562-W579 HydrophobicContact CG2-CZ3 3.7Å; F563-W579 HydrophobicContact CD1-CD2 4.19Å; F563-W579 AromaticContact CD1-CE3 3.86Å; F563-W579 HydrophobicContact CD1-CE3 3.86Å; F563-W579 HydrophobicContact CD1-CZ3 4.23Å; F563-W579 AromaticContact CE1-CD2 3.68Å; F563-W579 HydrophobicContact CE1-CD2 3.68Å; F563-W579 AromaticContact CE1-CE3 3.32Å; F563-W579 HydrophobicContact CE1-CE3 3.32Å; F563-W579 AromaticContact CE1-CH2 3.67Å; F563-W579 HydrophobicContact CE1-CH2 3.67Å; F563-W579 HydrophobicContact CE1-CZ2 4.02Å; F563-W579 AromaticContact CE1-CZ3 3.32Å; F563-W579 HydrophobicContact CE1-CZ3 3.32Å; F563-W579 HydrophobicContact CE2-CZ3 4.18Å; F563-W579 AromaticContact CZ-CE3 3.81Å; F563-W579 HydrophobicContact CZ-CE3 3.81Å; F563-W579 AromaticContact CZ-CH2 3.59Å; F563-W579 HydrophobicContact CZ-CH2 3.59Å; F563-W579 HydrophobicContact CZ-CZ2 4.32Å; F563-W579 AromaticContact CZ-CZ3 3.3Å; F563-W579 HydrophobicContact CZ-CZ3 3.3Å; W579-H584 AromaticContact CE3-ND1 3.92Å; W579-H584 HydrophobicContact CH2-CB 3.8Å; W579-H584 AromaticContact CH2-CG 3.79Å; W579-H584 HydrophobicContact CZ2-CB 4.23Å; W579-H584 HydrophobicContact CZ3-CB 3.96Å; W579-H584 AromaticContact CZ3-CD2 4Å; W579-H584 AromaticContact CZ3-CE1 3.93Å; W579-H584 AromaticContact CZ3-CG 3.55Å; W579-H584 AromaticContact CZ3-ND1 3.5Å; W579-T586 HydrophobicContact CZ2-CG2 3.98Å
580	N	93	Very high	91.5	Very high	39 Å²	39	42.9 Å²	42.9	21%	0.209	25%	0.249	C	C	.	.			trans	-95	-168.4	169.9	-165.7	50.3	0	0	0	109.4	L561 I562 T564 I582	L561-N580 WeakPolarHBondContact O-CB 3.23Å; L561-N580 PolarHBondContact O-ND2 3.08Å; I562-N580 WeakPolarHBondContact O-CB 3.36Å; I562-N580 PolarHBondContact O-N 2.96Å; T564-N580 HydrophobicContact CG2-CB 4.39Å; N580-I582 PolarHBondContact O-N 2.8Å
581	E	91	Very high	92.3	Very high	126 Å²	126	39.8 Å²	39.8	59%	0.589	23%	0.228	S	C	*	.	S	Bend	trans	-66.4	35.6	-178	-48.9	-56.4	148.9	0	0	116.3
582	I	94.9	Very high	92.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-139.9	105.1	177.4	-56	171.6	0	0	0	109	L553 A556 L561 I562 N580 H584 V606 L610 Q613	L553-I582 HydrophobicContact CD2-CG2 3.75Å; A556-I582 HydrophobicContact CB-CD1 3.86Å; L561-I582 HydrophobicContact CB-CD1 4.24Å; I562-I582 HydrophobicContact CD1-CD1 4.16Å; N580-I582 PolarHBondContact O-N 2.8Å; I582-H584 PolarHBondContact O-ND1 3.28Å; I582-V606 HydrophobicContact CG2-CG2 3.84Å; I582-L610 HydrophobicContact CD1-CD2 3.88Å; I582-L610 HydrophobicContact CG2-CD2 4.35Å; I582-L610 HydrophobicContact CG2-CG 4.25Å; I582-Q613 HydrophobicContact CD1-CG 4.12Å; I582-Q613 HydrophobicContact CG1-CG 3.95Å
583	H	94.5	Very high	92.2	Very high	108 Å²	108	40.1 Å²	40.1	50%	0.5	21%	0.214	S	C	.	.			trans	-69	146.8	-175.8	-73.5	103.7	0	0	0	112.8	V606 E609	H583-V606 WeakPolarHBondContact O-CG2 3.49Å; H583-E609 IonicContact CE1-OE1 3.32Å; H583-E609 IonicContact CG-OE1 3.16Å; H583-E609 IonicContact CG-OE2 2.69Å; H583-E609 PolarHBondContact N-OE2 3.47Å; H583-E609 IonicContact ND1-OE1 3.79Å; H583-E609 PolarHBondContact ND1-OE1 3.24Å; H583-E609 IonicContact ND1-OE2 3.62Å
584	H	97.6	Very high	92.2	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.037	23%	0.226	C	C	.	.			trans	-133.8	135.2	179.2	-77.2	69.4	0	0	0	109.9	Y511 C538 W579 I582 T586	Y511-H584 AromaticContact CE2-CD2 3.62Å; Y511-H584 AromaticContact CE2-NE2 3.46Å; Y511-H584 WeakPolarHBondContact CE2-NE2 3.41Å; Y511-H584 AromaticContact CZ-NE2 3.56Å; Y511-H584 PolarHBondContact OH-NE2 2.88Å; C538-H584 HydrophobicContact CB-CB 4.25Å; W579-H584 AromaticContact CE3-ND1 3.92Å; W579-H584 HydrophobicContact CH2-CB 3.8Å; W579-H584 AromaticContact CH2-CG 3.79Å; W579-H584 HydrophobicContact CZ2-CB 4.23Å; W579-H584 HydrophobicContact CZ3-CB 3.96Å; W579-H584 AromaticContact CZ3-CD2 4Å; W579-H584 AromaticContact CZ3-CE1 3.93Å; W579-H584 AromaticContact CZ3-CG 3.55Å; W579-H584 AromaticContact CZ3-ND1 3.5Å; I582-H584 PolarHBondContact O-ND1 3.28Å; H584-T586 PolarHBondContact O-N 3.09Å
585	K	97.1	Very high	92.2	Very high	9 Å²	9	41.3 Å²	41.3	4%	0.039	23%	0.225	C	C	.	.			trans	-81.5	112.1	172.7	-64.5	-65.9	-170.3	163.8	0	110.4	C538 Y539 G594 H595 G596 Y597 D599 Y602	C538-K585 CarbonylContact C-O 3.56Å; C538-K585 WeakPolarHBondContact CA-O 3.49Å; Y539-K585 PolarHBondContact N-O 3.01Å; K585-G594 PolarHBondContact NZ-O 3.36Å; K585-H595 CarbonylContact C-O 3.47Å; K585-H595 WeakPolarHBondContact CA-O 3.37Å; K585-H595 VanDerWaalsContact CD-C 3.45Å; K585-G596 VanDerWaalsContact CD-O 3.31Å; K585-G596 WeakPolarHBondContact CD-O 3.36Å; K585-G596 VanDerWaalsContact CE-O 3.32Å; K585-G596 WeakPolarHBondContact CE-O 3.5Å; K585-G596 PolarHBondContact NZ-O 3.4Å; K585-Y597 HydrophobicContact CB-CD2 3.99Å; K585-Y597 HydrophobicContact CB-CE2 3.31Å; K585-Y597 HydrophobicContact CG-CD2 4.28Å; K585-Y597 HydrophobicContact CG-CE1 4.45Å; K585-Y597 HydrophobicContact CG-CE2 3.67Å; K585-D599 VanDerWaalsContact CE-OD2 3.27Å; K585-D599 WeakPolarHBondContact CE-OD2 3.49Å; K585-D599 IonicContact NZ-OD2 3.6Å; K585-D599 PolarHBondContact NZ-OD2 3.13Å; K585-Y602 HydrophobicContact CB-CE1 4.32Å; K585-Y602 HydrophobicContact CD-CD2 4.22Å; K585-Y602 HydrophobicContact CD-CE2 4.47Å; K585-Y602 HydrophobicContact CD-CG 4.26Å; K585-Y602 HydrophobicContact CG-CD1 3.64Å; K585-Y602 HydrophobicContact CG-CD2 3.82Å; K585-Y602 HydrophobicContact CG-CE1 3.58Å; K585-Y602 HydrophobicContact CG-CE2 3.75Å; K585-Y602 HydrophobicContact CG-CG 3.75Å
586	T	94.8	Very high	92	Very high	40 Å²	40	40.4 Å²	40.4	25%	0.245	22%	0.22	C	C	.	.			trans	-108	-7.5	-174.1	55.3	0	0	0	0	113.5	Y539 W579 H584 H595	Y539-T586 WeakPolarHBondContact CE2-O 3.24Å; W579-T586 HydrophobicContact CZ2-CG2 3.98Å; H584-T586 PolarHBondContact O-N 3.09Å; T586-H595 PolarHBondContact N-O 3.48Å
587	E	92.4	Very high	91.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.			trans	-106.1	134.7	170.7	-175.8	-174.7	177.2	0	0	109.3	P358 L360 S590 N591 L592 T593 H595 G596	P358-E587 WeakPolarHBondContact CB-OE1 3.47Å; L360-E587 HydrophobicContact CD2-CB 4.13Å; L360-E587 HydrophobicContact CD2-CG 4.1Å; E587-S590 VanDerWaalsContact CD-C 3.42Å; E587-S590 WeakPolarHBondContact CG-O 3.46Å; E587-S590 VanDerWaalsContact OE1-CB 3.3Å; E587-S590 WeakPolarHBondContact OE1-CB 3.36Å; E587-S590 PolarHBondContact OE1-OG 3.45Å; E587-N591 PolarHBondContact OE1-N 2.62Å; E587-L592 PolarHBondContact OE1-N 3.02Å; E587-L592 PolarHBondContact OE2-N 3.03Å; E587-T593 VanDerWaalsContact OE2-CB 3.31Å; E587-T593 WeakPolarHBondContact OE2-CB 3.45Å; E587-T593 WeakPolarHBondContact OE2-CG2 3.32Å; E587-T593 PolarHBondContact OE2-N 2.95Å; E587-T593 PolarHBondContact OE2-OG1 2.97Å; E587-H595 PolarHBondContact N-O 2.91Å; E587-G596 WeakPolarHBondContact O-CA 3.22Å
588	F	92.6	Very high	91.7	Very high	12 Å²	12	44.2 Å²	44.2	5%	0.053	25%	0.245	C	C	.	.	S	Bend	trans	-92.8	-60.2	-169	178.1	-92.9	0	0	0	112.9	I359 P362 I494 H496 S497 L498 P499 T506 Y539	I359-F588 WeakPolarHBondContact O-CA 3.34Å; I359-F588 PolarHBondContact O-N 2.76Å; P362-F588 HydrophobicContact CB-CD1 4.01Å; P362-F588 HydrophobicContact CB-CD2 4Å; P362-F588 HydrophobicContact CB-CE1 4Å; P362-F588 HydrophobicContact CB-CE2 3.99Å; P362-F588 HydrophobicContact CB-CG 4.04Å; P362-F588 HydrophobicContact CB-CZ 4.01Å; P362-F588 HydrophobicContact CG-CD2 4.49Å; I494-F588 HydrophobicContact CD1-CE2 4.04Å; H496-F588 HydrophobicContact CB-CE1 4.37Å; H496-F588 HydrophobicContact CB-CZ 3.68Å; S497-F588 WeakPolarHBondContact O-CZ 3.01Å; L498-F588 HydrophobicContact CD2-CD2 3.51Å; L498-F588 HydrophobicContact CD2-CE2 3.56Å; L498-F588 HydrophobicContact CD2-CG 4.15Å; L498-F588 HydrophobicContact CD2-CZ 4.23Å; L498-F588 WeakPolarHBondContact CD2-O 3.28Å; L498-F588 HydrophobicContact CG-CE2 4.16Å; P499-F588 VanDerWaalsContact CD-O 3.24Å; P499-F588 WeakPolarHBondContact CD-O 3.49Å; T506-F588 HydrophobicContact CG2-CE2 4.01Å; Y539-F588 AromaticContact CD1-CD2 3.83Å; Y539-F588 HydrophobicContact CD1-CD2 3.83Å; Y539-F588 HydrophobicContact CD2-CB 3.95Å; Y539-F588 HydrophobicContact CD2-CD2 4.22Å; Y539-F588 HydrophobicContact CE1-CB 4.49Å; Y539-F588 HydrophobicContact CE1-CD2 4.11Å; Y539-F588 HydrophobicContact CE2-CB 3.67Å; Y539-F588 HydrophobicContact CE2-CD2 4.47Å; Y539-F588 HydrophobicContact CG-CB 4.47Å; Y539-F588 AromaticContact CG-CD2 3.89Å; Y539-F588 HydrophobicContact CG-CD2 3.89Å
589	G	88	Confident	91.7	Very high	24 Å²	24	45 Å²	45	25%	0.247	25%	0.248	C	C	.	.	S	Bend	trans	-101	5.3	-167.1	0	0	0	0	0	115.3	I359	I359-G589 PolarHBondContact O-N 3.08Å
590	S	87.1	Confident	91.6	Very high	21 Å²	21	45.1 Å²	45.1	15%	0.147	27%	0.268	C	S	.	.			trans	-157.8	176.4	179.3	50.3	0	0	0	0	110.1	I359 E587 G596 Y597	I359-S590 PolarHBondContact N-OG 3.46Å; E587-S590 VanDerWaalsContact CD-C 3.42Å; E587-S590 WeakPolarHBondContact CG-O 3.46Å; E587-S590 VanDerWaalsContact OE1-CB 3.3Å; E587-S590 WeakPolarHBondContact OE1-CB 3.36Å; E587-S590 PolarHBondContact OE1-OG 3.45Å; S590-G596 CarbonylContact O-C 3.5Å; S590-G596 VanDerWaalsContact O-CA 3.3Å; S590-G596 WeakPolarHBondContact O-CA 3.45Å; S590-Y597 CarbonylContact C-O 3.5Å; S590-Y597 VanDerWaalsContact CA-O 3.25Å; S590-Y597 WeakPolarHBondContact CA-O 3.45Å; S590-Y597 PolarHBondContact O-N 3.49Å
591	N	90.8	Very high	91.7	Very high	58 Å²	58	45.9 Å²	45.9	31%	0.31	28%	0.276	S	S	.	.			trans	-130.3	36.4	178.9	-162.7	8.6	0	0	0	111.7	E587 T593 G594 H595 G596 Y597 P598	E587-N591 PolarHBondContact OE1-N 2.62Å; N591-T593 PolarHBondContact O-N 3.45Å; N591-G594 PolarHBondContact O-N 2.61Å; N591-G594 WeakPolarHBondContact OD1-CA 3.31Å; N591-G594 PolarHBondContact OD1-N 2.73Å; N591-G594 PolarHBondContact OD1-O 3.18Å; N591-H595 PolarHBondContact OD1-N 2.85Å; N591-G596 VanDerWaalsContact CG-C 3.44Å; N591-G596 VanDerWaalsContact CG-O 3.26Å; N591-G596 PolarHBondContact ND2-O 2.84Å; N591-G596 WeakPolarHBondContact OD1-CA 3.21Å; N591-G596 PolarHBondContact OD1-N 3.47Å; N591-G596 PolarHBondContact OD1-O 2.78Å; N591-Y597 PolarHBondContact N-O 2.99Å; N591-P598 PolarHBondContact ND2-O 3.14Å
592	L	82	Confident	92	Very high	97 Å²	97	40.2 Å²	40.2	51%	0.508	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-16.1	-177.8	-68.8	175.9	0	0	0	112.9	P358 E587	P358-L592 HydrophobicContact CB-CB 4.29Å; P358-L592 HydrophobicContact CB-CD1 4.35Å; E587-L592 PolarHBondContact OE1-N 3.02Å; E587-L592 PolarHBondContact OE2-N 3.03Å
593	T	82.1	Confident	92	Very high	60 Å²	60	40.5 Å²	40.5	37%	0.368	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-7.6	174.9	63.7	0	0	0	0	114.1	L360 E587 N591 H595	L360-T593 HydrophobicContact CD2-CG2 4.4Å; E587-T593 VanDerWaalsContact OE2-CB 3.31Å; E587-T593 WeakPolarHBondContact OE2-CB 3.45Å; E587-T593 WeakPolarHBondContact OE2-CG2 3.32Å; E587-T593 PolarHBondContact OE2-N 2.95Å; E587-T593 PolarHBondContact OE2-OG1 2.97Å; N591-T593 PolarHBondContact O-N 3.45Å; T593-H595 PolarHBondContact O-CD2 2.91Å; T593-H595 PolarHBondContact O-N 3.07Å; T593-H595 PolarHBondContact OG1-N 2.87Å
594	G	88.8	Confident	92	Very high	46 Å²	46	38.8 Å²	38.8	47%	0.474	25%	0.245	S	C	.	.	S	Bend	trans	76.4	-18.6	-165.1	0	0	0	0	0	114.2	K585 N591 G596	K585-G594 PolarHBondContact NZ-O 3.36Å; N591-G594 PolarHBondContact O-N 2.61Å; N591-G594 WeakPolarHBondContact OD1-CA 3.31Å; N591-G594 PolarHBondContact OD1-N 2.73Å; N591-G594 PolarHBondContact OD1-O 3.18Å; G594-G596 VanDerWaalsContact C-N 3.34Å; G594-G596 PolarHBondContact O-N 2.95Å
595	H	91.8	Very high	91.8	Very high	90 Å²	90	42.1 Å²	42.1	42%	0.417	26%	0.263	S	S	.	.	S	Bend	trans	-97.2	29.4	179.4	-52.9	-63.7	0	0	0	112.5	K585 T586 E587 N591 T593	K585-H595 CarbonylContact C-O 3.47Å; K585-H595 WeakPolarHBondContact CA-O 3.37Å; K585-H595 VanDerWaalsContact CD-C 3.45Å; T586-H595 PolarHBondContact N-O 3.48Å; E587-H595 PolarHBondContact N-O 2.91Å; N591-H595 PolarHBondContact OD1-N 2.85Å; T593-H595 PolarHBondContact O-CD2 2.91Å; T593-H595 PolarHBondContact O-N 3.07Å; T593-H595 PolarHBondContact OG1-N 2.87Å
596	G	91.9	Very high	91.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-133.3	-162.1	-178.9	0	0	0	0	0	115.3	K585 E587 S590 N591 G594	K585-G596 VanDerWaalsContact CD-O 3.31Å; K585-G596 WeakPolarHBondContact CD-O 3.36Å; K585-G596 VanDerWaalsContact CE-O 3.32Å; K585-G596 WeakPolarHBondContact CE-O 3.5Å; K585-G596 PolarHBondContact NZ-O 3.4Å; E587-G596 WeakPolarHBondContact O-CA 3.22Å; S590-G596 CarbonylContact O-C 3.5Å; S590-G596 VanDerWaalsContact O-CA 3.3Å; S590-G596 WeakPolarHBondContact O-CA 3.45Å; N591-G596 VanDerWaalsContact CG-C 3.44Å; N591-G596 VanDerWaalsContact CG-O 3.26Å; N591-G596 PolarHBondContact ND2-O 2.84Å; N591-G596 WeakPolarHBondContact OD1-CA 3.21Å; N591-G596 PolarHBondContact OD1-N 3.47Å; N591-G596 PolarHBondContact OD1-O 2.78Å; G594-G596 VanDerWaalsContact C-N 3.34Å; G594-G596 PolarHBondContact O-N 2.95Å
597	Y	91.4	Very high	91.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-123	150.6	-173.7	-71.8	-87.8	0	0	0	111.3	L498 F501 Y539 K585 S590 N591 Y602	L498-Y597 HydrophobicContact CB-CG 4.36Å; L498-Y597 HydrophobicContact CD1-CD1 4.49Å; L498-Y597 HydrophobicContact CD1-CD2 4.05Å; L498-Y597 HydrophobicContact CD1-CE1 4.13Å; L498-Y597 HydrophobicContact CD1-CE2 3.6Å; L498-Y597 HydrophobicContact CD1-CG 4.45Å; L498-Y597 HydrophobicContact CD2-CD2 3.6Å; L498-Y597 HydrophobicContact CD2-CE2 3.9Å; L498-Y597 HydrophobicContact CD2-CG 4.15Å; L498-Y597 HydrophobicContact CG-CD2 4.27Å; L498-Y597 HydrophobicContact CG-CE2 4.3Å; F501-Y597 HydrophobicContact CD2-CD1 4.36Å; F501-Y597 HydrophobicContact CD2-CE1 4.33Å; F501-Y597 HydrophobicContact CE2-CD1 4.08Å; F501-Y597 AromaticContact CE2-CE1 3.86Å; F501-Y597 HydrophobicContact CE2-CE1 3.86Å; Y539-Y597 WeakPolarHBondContact O-CE2 3.46Å; Y539-Y597 PolarHBondContact O-OH 3.36Å; K585-Y597 HydrophobicContact CB-CD2 3.99Å; K585-Y597 HydrophobicContact CB-CE2 3.31Å; K585-Y597 HydrophobicContact CG-CD2 4.28Å; K585-Y597 HydrophobicContact CG-CE1 4.45Å; K585-Y597 HydrophobicContact CG-CE2 3.67Å; S590-Y597 CarbonylContact C-O 3.5Å; S590-Y597 VanDerWaalsContact CA-O 3.25Å; S590-Y597 WeakPolarHBondContact CA-O 3.45Å; S590-Y597 PolarHBondContact O-N 3.49Å; N591-Y597 PolarHBondContact N-O 2.99Å; Y597-Y602 HydrophobicContact CE1-CD1 4.18Å; Y597-Y602 VanDerWaalsContact OH-CE1 3.27Å; Y597-Y602 WeakPolarHBondContact OH-CE1 3.46Å
598	P	94.4	Very high	91.7	Very high	83 Å²	83	44 Å²	44	54%	0.539	28%	0.281	S	S	.	.			cis	-76.5	148.6	8.3	31.3	-35.3	0	0	0	113.1	P499 N591	P499-P598 HydrophobicContact CB-CB 4.22Å; P499-P598 HydrophobicContact CB-CG 4.47Å; P499-P598 WeakPolarHBondContact O-CA 3.14Å; N591-P598 PolarHBondContact ND2-O 3.14Å
599	D	94.8	Very high	91.7	Very high	37 Å²	37	45.6 Å²	45.6	20%	0.198	29%	0.288	C	S	.	.			trans	-157	109.2	170.2	-174.4	-22.6	0	0	0	107.7	K585 S601 Y602	K585-D599 VanDerWaalsContact CE-OD2 3.27Å; K585-D599 WeakPolarHBondContact CE-OD2 3.49Å; K585-D599 IonicContact NZ-OD2 3.6Å; K585-D599 PolarHBondContact NZ-OD2 3.13Å; D599-S601 WeakPolarHBondContact OD1-CA 3.4Å; D599-S601 PolarHBondContact OD1-N 2.97Å; D599-S601 PolarHBondContact OD1-OG 3.16Å; D599-Y602 PolarHBondContact OD1-N 2.79Å
600	A	93.1	Very high	91.9	Very high	90 Å²	90	44.4 Å²	44.4	74%	0.744	28%	0.277	S	S	*	.	S	Bend	trans	-78.1	-23.8	-179.9	0	0	0	0	0	112.6
601	S	93.9	Very high	92	Very high	55 Å²	55	47 Å²	47	39%	0.385	29%	0.292	S	S	.	.	S	Bend	trans	-84.4	-30	-175.2	70.3	0	0	0	0	113.2	D599 L603 D604 N605	D599-S601 WeakPolarHBondContact OD1-CA 3.4Å; D599-S601 PolarHBondContact OD1-N 2.97Å; D599-S601 PolarHBondContact OD1-OG 3.16Å; S601-L603 VanDerWaalsContact C-N 3.29Å; S601-L603 PolarHBondContact O-N 2.88Å; S601-L603 VanDerWaalsContact O-N 3.1Å; S601-D604 PolarHBondContact O-N 2.88Å; S601-N605 VanDerWaalsContact O-CG 3.26Å; S601-N605 PolarHBondContact O-N 3.43Å; S601-N605 PolarHBondContact O-OD1 2.93Å; S601-N605 PolarHBondContact OG-ND2 2.56Å
602	Y	96.9	Very high	91.7	Very high	7 Å²	7	47 Å²	47	3%	0.027	30%	0.299	C	S	.	.	H	α-helix	trans	-50.3	-41.9	-170.9	163.4	-109.2	0	0	0	114.7	L540 K585 Y597 D599 D604 N605 V606	L540-Y602 HydrophobicContact CD2-CE1 3.66Å; L540-Y602 WeakPolarHBondContact CD2-OH 3.29Å; K585-Y602 HydrophobicContact CB-CE1 4.32Å; K585-Y602 HydrophobicContact CD-CD2 4.22Å; K585-Y602 HydrophobicContact CD-CE2 4.47Å; K585-Y602 HydrophobicContact CD-CG 4.26Å; K585-Y602 HydrophobicContact CG-CD1 3.64Å; K585-Y602 HydrophobicContact CG-CD2 3.82Å; K585-Y602 HydrophobicContact CG-CE1 3.58Å; K585-Y602 HydrophobicContact CG-CE2 3.75Å; K585-Y602 HydrophobicContact CG-CG 3.75Å; Y597-Y602 HydrophobicContact CE1-CD1 4.18Å; Y597-Y602 VanDerWaalsContact OH-CE1 3.27Å; Y597-Y602 WeakPolarHBondContact OH-CE1 3.46Å; D599-Y602 PolarHBondContact OD1-N 2.79Å; Y602-D604 VanDerWaalsContact C-N 3.29Å; Y602-D604 PolarHBondContact O-N 2.79Å; Y602-N605 PolarHBondContact O-N 3.06Å; Y602-V606 HydrophobicContact CD2-CB 4.47Å; Y602-V606 HydrophobicContact CE2-CB 4.06Å; Y602-V606 HydrophobicContact CE2-CG1 4.37Å; Y602-V606 HydrophobicContact CE2-CG2 4.4Å; Y602-V606 WeakPolarHBondContact O-CB 3.37Å; Y602-V606 WeakPolarHBondContact O-CG1 3.43Å; Y602-V606 PolarHBondContact O-N 2.94Å
603	L	96.3	Very high	91.9	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-68.3	-27.7	-177.8	-68.2	-179.8	0	0	0	113.3	F501 L540 P541 K545 V549 S601 L607	F501-L603 HydrophobicContact CE1-CD1 4.18Å; F501-L603 HydrophobicContact CZ-CD1 3.9Å; L540-L603 HydrophobicContact CD2-CD2 4.3Å; P541-L603 HydrophobicContact CG-CD1 3.85Å; K545-L603 HydrophobicContact CB-CD1 4.28Å; K545-L603 HydrophobicContact CD-CB 3.61Å; K545-L603 HydrophobicContact CD-CD1 4.24Å; K545-L603 HydrophobicContact CG-CB 4.08Å; K545-L603 HydrophobicContact CG-CD1 4.34Å; V549-L603 HydrophobicContact CG2-CD2 4.25Å; S601-L603 VanDerWaalsContact C-N 3.29Å; S601-L603 PolarHBondContact O-N 2.88Å; S601-L603 VanDerWaalsContact O-N 3.1Å; L603-L607 WeakPolarHBondContact O-CD1 3.17Å; L603-L607 WeakPolarHBondContact O-CG 3.12Å
604	D	94.3	Very high	92	Very high	73 Å²	73	41.6 Å²	41.6	39%	0.39	27%	0.274	S	S	.	.	H	α-helix	trans	-88	-36.5	175.9	-65.7	-67.1	0	0	0	111.1	K545 S601 Y602 V606 L607 A608	K545-D604 IonicContact NZ-OD1 3.14Å; K545-D604 PolarHBondContact NZ-OD1 2.82Å; K545-D604 IonicContact NZ-OD2 3.64Å; K545-D604 PolarHBondContact NZ-OD2 3Å; S601-D604 PolarHBondContact O-N 2.88Å; Y602-D604 VanDerWaalsContact C-N 3.29Å; Y602-D604 PolarHBondContact O-N 2.79Å; D604-V606 PolarHBondContact O-N 3.29Å; D604-L607 PolarHBondContact O-N 3.44Å; D604-A608 PolarHBondContact O-N 3.34Å
605	N	94.2	Very high	92.1	Very high	77 Å²	77	39.4 Å²	39.4	41%	0.412	25%	0.251	S	S	.	.	H	α-helix	trans	-58.3	-49.1	172.4	-60.6	-13.7	0	0	0	111.3	S601 Y602 L607 A608 E609	S601-N605 VanDerWaalsContact O-CG 3.26Å; S601-N605 PolarHBondContact O-N 3.43Å; S601-N605 PolarHBondContact O-OD1 2.93Å; S601-N605 PolarHBondContact OG-ND2 2.56Å; Y602-N605 PolarHBondContact O-N 3.06Å; N605-L607 VanDerWaalsContact C-N 3.3Å; N605-L607 PolarHBondContact O-N 3.14Å; N605-A608 WeakPolarHBondContact O-CB 3.48Å; N605-A608 PolarHBondContact O-N 3.29Å; N605-A608 VanDerWaalsContact O-N 3.1Å; N605-E609 WeakPolarHBondContact O-CG 3.38Å; N605-E609 PolarHBondContact O-N 2.92Å
606	V	95.4	Very high	91.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-68.5	-28	-179.8	76.7	0	0	0	0	112.3	V549 I582 H583 Y602 D604 L610	V549-V606 HydrophobicContact CB-CG1 4.45Å; V549-V606 HydrophobicContact CG1-CG1 3.71Å; V549-V606 HydrophobicContact CG2-CG1 3.78Å; I582-V606 HydrophobicContact CG2-CG2 3.84Å; H583-V606 WeakPolarHBondContact O-CG2 3.49Å; Y602-V606 HydrophobicContact CD2-CB 4.47Å; Y602-V606 HydrophobicContact CE2-CB 4.06Å; Y602-V606 HydrophobicContact CE2-CG1 4.37Å; Y602-V606 HydrophobicContact CE2-CG2 4.4Å; Y602-V606 WeakPolarHBondContact O-CB 3.37Å; Y602-V606 WeakPolarHBondContact O-CG1 3.43Å; Y602-V606 PolarHBondContact O-N 2.94Å; D604-V606 PolarHBondContact O-N 3.29Å; V606-L610 HydrophobicContact CG2-CD1 4.32Å; V606-L610 VanDerWaalsContact O-CB 3.27Å; V606-L610 WeakPolarHBondContact O-CB 3.4Å; V606-L610 WeakPolarHBondContact O-CD1 3.48Å; V606-L610 VanDerWaalsContact O-CG 3.25Å; V606-L610 WeakPolarHBondContact O-CG 3.46Å; V606-L610 PolarHBondContact O-N 2.86Å
607	L	94.7	Very high	91.2	Very high	27 Å²	27	42 Å²	42	14%	0.141	27%	0.271	C	S	.	.	H	α-helix	trans	-68.2	-38	170.5	-75.3	171.5	0	0	0	111.8	K545 K548 V549 L552 L603 D604 N605 T611	K545-L607 HydrophobicContact CD-CD1 4.37Å; K545-L607 HydrophobicContact CG-CD1 4.08Å; K548-L607 HydrophobicContact CG-CD2 4.27Å; V549-L607 HydrophobicContact CG2-CD1 4.33Å; V549-L607 HydrophobicContact CG2-CD2 3.82Å; V549-L607 HydrophobicContact CG2-CG 3.78Å; L552-L607 HydrophobicContact CD1-CD2 3.52Å; L603-L607 WeakPolarHBondContact O-CD1 3.17Å; L603-L607 WeakPolarHBondContact O-CG 3.12Å; D604-L607 PolarHBondContact O-N 3.44Å; N605-L607 VanDerWaalsContact C-N 3.3Å; N605-L607 PolarHBondContact O-N 3.14Å; L607-T611 WeakPolarHBondContact O-CB 3.33Å; L607-T611 PolarHBondContact O-N 3.42Å; L607-T611 PolarHBondContact O-OG1 2.87Å
608	A	91.4	Very high	89.6	Confident	62 Å²	62	46 Å²	46	51%	0.512	31%	0.305	S	S	.	.	H	α-helix	trans	-66.8	-43.3	173.2	0	0	0	0	0	111.7	D604 N605 T611 A612	D604-A608 PolarHBondContact O-N 3.34Å; N605-A608 WeakPolarHBondContact O-CB 3.48Å; N605-A608 PolarHBondContact O-N 3.29Å; N605-A608 VanDerWaalsContact O-N 3.1Å; A608-T611 PolarHBondContact O-N 3.02Å; A608-A612 WeakPolarHBondContact O-CB 3.39Å; A608-A612 PolarHBondContact O-N 3.39Å
609	E	91.9	Very high	86.9	Confident	44 Å²	44	46.7 Å²	46.7	21%	0.206	32%	0.317	C	S	.	.	H	α-helix	trans	-59.2	-51	174.1	-70.7	168.5	-173.5	0	0	111.9	H583 N605 T611 A612 Q613	H583-E609 IonicContact CE1-OE1 3.32Å; H583-E609 IonicContact CG-OE1 3.16Å; H583-E609 IonicContact CG-OE2 2.69Å; H583-E609 PolarHBondContact N-OE2 3.47Å; H583-E609 IonicContact ND1-OE1 3.79Å; H583-E609 PolarHBondContact ND1-OE1 3.24Å; H583-E609 IonicContact ND1-OE2 3.62Å; N605-E609 WeakPolarHBondContact O-CG 3.38Å; N605-E609 PolarHBondContact O-N 2.92Å; E609-T611 VanDerWaalsContact C-N 3.29Å; E609-T611 PolarHBondContact O-N 3.47Å; E609-A612 CarbonylContact O-C 3.45Å; E609-A612 WeakPolarHBondContact O-CB 3.47Å; E609-A612 PolarHBondContact O-N 2.99Å; E609-A612 VanDerWaalsContact O-N 3.09Å; E609-Q613 WeakPolarHBondContact O-CG 3.39Å; E609-Q613 PolarHBondContact O-N 3.42Å
610	L	91.8	Very high	83.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-55.2	-45.4	174.9	-80.8	160.9	0	0	0	111.2	L552 L553 A556 I582 V606 A612 Q613 G614 V615	L552-L610 HydrophobicContact CB-CD1 3.72Å; L552-L610 HydrophobicContact CB-CD2 4.22Å; L552-L610 HydrophobicContact CB-CG 4.46Å; L553-L610 HydrophobicContact CD2-CD1 4.33Å; L553-L610 HydrophobicContact CD2-CD2 4.33Å; L553-L610 HydrophobicContact CG-CD1 4.47Å; A556-L610 HydrophobicContact CB-CD2 3.75Å; I582-L610 HydrophobicContact CD1-CD2 3.88Å; I582-L610 HydrophobicContact CG2-CD2 4.35Å; I582-L610 HydrophobicContact CG2-CG 4.25Å; V606-L610 HydrophobicContact CG2-CD1 4.32Å; V606-L610 VanDerWaalsContact O-CB 3.27Å; V606-L610 WeakPolarHBondContact O-CB 3.4Å; V606-L610 WeakPolarHBondContact O-CD1 3.48Å; V606-L610 VanDerWaalsContact O-CG 3.25Å; V606-L610 WeakPolarHBondContact O-CG 3.46Å; V606-L610 PolarHBondContact O-N 2.86Å; L610-A612 PolarHBondContact O-N 2.65Å; L610-Q613 CarbonylContact O-C 3.58Å; L610-Q613 PolarHBondContact O-N 2.74Å; L610-Q613 VanDerWaalsContact O-N 3.12Å; L610-G614 PolarHBondContact O-N 2.83Å; L610-V615 CarbonylContact C-O 3.59Å; L610-V615 HydrophobicContact CB-CB 4.43Å; L610-V615 WeakPolarHBondContact CB-O 3.34Å; L610-V615 HydrophobicContact CD2-CB 4.05Å; L610-V615 HydrophobicContact CD2-CG1 4.01Å; L610-V615 CarbonylContact O-C 3.53Å; L610-V615 WeakPolarHBondContact O-CA 3.17Å; L610-V615 WeakPolarHBondContact O-CB 3.07Å; L610-V615 PolarHBondContact O-N 3.46Å
611	T	89.1	Confident	80.6	Confident	76 Å²	76	55.1 Å²	55.1	47%	0.466	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-40.1	176.5	-57.6	0	0	0	0	111.9	L607 A608 E609 Q613 G614 V615	L607-T611 WeakPolarHBondContact O-CB 3.33Å; L607-T611 PolarHBondContact O-N 3.42Å; L607-T611 PolarHBondContact O-OG1 2.87Å; A608-T611 PolarHBondContact O-N 3.02Å; E609-T611 VanDerWaalsContact C-N 3.29Å; E609-T611 PolarHBondContact O-N 3.47Å; T611-Q613 VanDerWaalsContact C-N 3.27Å; T611-Q613 PolarHBondContact O-N 2.78Å; T611-G614 WeakPolarHBondContact O-CA 3.08Å; T611-G614 PolarHBondContact O-N 3.1Å; T611-V615 PolarHBondContact N-O 2.91Å
612	A	85.4	Confident	77.4	Confident	56 Å²	56	60.5 Å²	60.5	46%	0.463	40%	0.401	S	S	.	.	H	α-helix	trans	-68	-22.8	174.8	0	0	0	0	0	113.3	I476 A608 E609 L610 G614	I476-A612 WeakPolarHBondContact CD1-O 3.42Å; A608-A612 WeakPolarHBondContact O-CB 3.39Å; A608-A612 PolarHBondContact O-N 3.39Å; E609-A612 CarbonylContact O-C 3.45Å; E609-A612 WeakPolarHBondContact O-CB 3.47Å; E609-A612 PolarHBondContact O-N 2.99Å; E609-A612 VanDerWaalsContact O-N 3.09Å; L610-A612 PolarHBondContact O-N 2.65Å; A612-G614 VanDerWaalsContact C-N 3.31Å
613	Q	85.4	Confident	76.4	Confident	19 Å²	19	63.2 Å²	63.2	9%	0.089	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	4.4	167	-56	-46.5	-42.3	0	0	113.8	L561 I582 E609 L610 T611	L561-Q613 HydrophobicContact CD1-CB 4.28Å; I582-Q613 HydrophobicContact CD1-CG 4.12Å; I582-Q613 HydrophobicContact CG1-CG 3.95Å; E609-Q613 WeakPolarHBondContact O-CG 3.39Å; E609-Q613 PolarHBondContact O-N 3.42Å; L610-Q613 CarbonylContact O-C 3.58Å; L610-Q613 PolarHBondContact O-N 2.74Å; L610-Q613 VanDerWaalsContact O-N 3.12Å; T611-Q613 VanDerWaalsContact C-N 3.27Å; T611-Q613 PolarHBondContact O-N 2.78Å
614	G	86.1	Confident	75.3	Confident	25 Å²	25	66.2 Å²	66.2	26%	0.258	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	17	-179.3	0	0	0	0	0	114.1	R559 L610 T611 A612	R559-G614 PolarHBondContact NH1-O 2.91Å; L610-G614 PolarHBondContact O-N 2.83Å; T611-G614 WeakPolarHBondContact O-CA 3.08Å; T611-G614 PolarHBondContact O-N 3.1Å; A612-G614 VanDerWaalsContact C-N 3.31Å
615	V	88.9	Confident	74.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	44%	0.443	C	S	.	.			trans	-108.3	92	179.3	-172.1	0	0	0	0	108.8	L552 T555 A556 L561 L610 T611	L552-V615 HydrophobicContact CB-CG1 4.21Å; L552-V615 HydrophobicContact CD2-CG1 4Å; L552-V615 WeakPolarHBondContact O-CG1 3.45Å; T555-V615 HydrophobicContact CG2-CG1 4.01Å; A556-V615 HydrophobicContact CB-CG1 4.31Å; A556-V615 HydrophobicContact CB-CG2 4.13Å; L561-V615 HydrophobicContact CD1-CG2 3.58Å; L610-V615 CarbonylContact C-O 3.59Å; L610-V615 HydrophobicContact CB-CB 4.43Å; L610-V615 WeakPolarHBondContact CB-O 3.34Å; L610-V615 HydrophobicContact CD2-CB 4.05Å; L610-V615 HydrophobicContact CD2-CG1 4.01Å; L610-V615 CarbonylContact O-C 3.53Å; L610-V615 WeakPolarHBondContact O-CA 3.17Å; L610-V615 WeakPolarHBondContact O-CB 3.07Å; L610-V615 PolarHBondContact O-N 3.46Å; T611-V615 PolarHBondContact N-O 2.91Å
616	S	87.4	Confident	73.1	Confident	67 Å²	67	65.2 Å²	65.2	47%	0.469	44%	0.444	S	S	.	.			trans	-126.6	158.3	175.3	49.2	0	0	0	0	109.8	L552 A618	L552-S616 VanDerWaalsContact CD2-C 3.45Å; S616-A618 PolarHBondContact O-N 3.42Å; S616-A618 VanDerWaalsContact O-N 3.13Å
617	E	79.1	Confident	71.7	Confident	77 Å²	77	69.2 Å²	69.2	36%	0.36	47%	0.472	S	S	.	.			trans	-68	111.5	165.6	-70.4	-174.4	147.1	0	0	106.6	K548 R551 L552 A619	K548-E617 VanDerWaalsContact CD-OE2 3.31Å; K548-E617 WeakPolarHBondContact CD-OE2 3.3Å; K548-E617 WeakPolarHBondContact CE-OE2 3.21Å; K548-E617 IonicContact NZ-OE2 2.65Å; K548-E617 PolarHBondContact NZ-OE2 3.36Å; R551-E617 IonicContact CZ-OE1 3.25Å; R551-E617 IonicContact NE-OE1 3.66Å; R551-E617 PolarHBondContact NE-OE1 3.12Å; R551-E617 IonicContact NH2-OE1 2.69Å; R551-E617 PolarHBondContact NH2-OE1 3.16Å; R551-E617 IonicContact NH2-OE2 3.94Å; L552-E617 HydrophobicContact CD1-CG 4.32Å; L552-E617 HydrophobicContact CD2-CG 3.93Å; L552-E617 HydrophobicContact CG-CG 4.24Å; E617-A619 PolarHBondContact O-N 3.46Å
618	A	57.5	Low	70.2	Confident	86 Å²	86	72 Å²	72	71%	0.711	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-59.9	137.6	172	0	0	0	0	0	108.6	S616 A620	S616-A618 PolarHBondContact O-N 3.42Å; S616-A618 VanDerWaalsContact O-N 3.13Å; A618-A620 PolarHBondContact O-N 2.97Å
619	A	36.7	Very low	68.7	Low	96 Å²	96	72.7 Å²	72.7	79%	0.793	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-52.8	127.8	158.2	0	0	0	0	0	107.3	E617 K621	E617-A619 PolarHBondContact O-N 3.46Å; A619-K621 PolarHBondContact O-N 3.29Å
620	A	29	Very low	66.9	Low	95 Å²	95	74.9 Å²	74.9	79%	0.785	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-55.2	136.8	172.6	0	0	0	0	0	108	A618 A622	A618-A620 PolarHBondContact O-N 2.97Å; A620-A622 PolarHBondContact O-N 3.39Å
621	K	27.7	Very low	64.8	Low	209 Å²	209	81.2 Å²	81.2	91%	0.909	56%	0.558	S	S	*	*			trans	-66	104.9	168.5	-78.1	-171.9	168.2	-164.8	0	107.8	A619	A619-K621 PolarHBondContact O-N 3.29Å
622	A	25.8	Very low	62.6	Low	168 Å²	168	81.6 Å²	81.6	100%	1.388	57%	0.566	S	S	*	*			trans	-64.8	0	146.9	0	0	0	0	0	109.2	A620	A620-A622 PolarHBondContact O-N 3.39Å

Retrieved 622 of 622 residues in 115.5 ms (Link to these results)

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