A0AA82MDF2_SCHMA Loading...

PBPe domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82MDF2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 307 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	32.9	Very low	57.7	Low	252 Å²	252	123 Å²	123	100%	1.178	63%	0.625	S	S	*	*				0	24.1	0	-115.9	170.1	166.4	0	0	115.3
2	S	40.7	Very low	60.3	Low	119 Å²	119	126.3 Å²	126.3	83%	0.832	63%	0.626	S	S	*	*			trans	-158.5	31	-176.9	62.9	0	0	0	0	117.4
3	L	43.7	Very low	62.5	Low	155 Å²	155	122.8 Å²	122.8	81%	0.812	60%	0.601	S	S	*	*	S	Bend	trans	-121.7	-16.1	176.1	-103.7	160.8	0	0	0	115.4
4	L	44.5	Very low	64.5	Low	71 Å²	71	117.6 Å²	117.6	37%	0.372	58%	0.58	S	S	.	*	S	Bend	trans	-102.2	-7.8	-172.1	-79.3	158.2	0	0	0	115	T6 Y46	L4-T6 PolarHBondContact O-N 3.14Å; L4-T6 VanDerWaalsContact O-N 3.16Å; L4-Y46 HydrophobicContact CB-CE1 3.92Å; L4-Y46 HydrophobicContact CD1-CD1 4.22Å; L4-Y46 HydrophobicContact CD1-CE1 4.11Å
5	R	44	Very low	66.1	Low	250 Å²	250	113.5 Å²	113.5	94%	0.943	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-1.5	-177.3	-135.2	-179.4	-172.8	-172.9	2.2	113.9
6	T	49.6	Very low	67.3	Low	128 Å²	128	117.3 Å²	117.3	79%	0.785	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	14.5	-172.6	-8.7	0	0	0	0	113.8	L4 Q8	L4-T6 PolarHBondContact O-N 3.14Å; L4-T6 VanDerWaalsContact O-N 3.16Å; T6-Q8 PolarHBondContact O-N 3.42Å
7	E	60.3	Low	68.2	Low	67 Å²	67	111.9 Å²	111.9	31%	0.313	54%	0.541	S	S	.	.			trans	-77.5	83.4	164.5	-70.7	-174	-179.4	0	0	107.3	Y29 K43	E7-Y29 HydrophobicContact CB-CD1 4.09Å; E7-Y29 VanDerWaalsContact O-CE1 3.24Å; E7-Y29 WeakPolarHBondContact O-CE1 3.4Å; E7-K43 IonicContact OE1-NZ 2.87Å
8	Q	72.2	Confident	68.4	Low	175 Å²	175	108.7 Å²	108.7	82%	0.818	54%	0.542	S	S	*	.			trans	-63.2	131.7	170.8	-173.3	176.1	-1.6	0	0	108.2	T6 E10	T6-Q8 PolarHBondContact O-N 3.42Å; Q8-E10 PolarHBondContact O-N 3.2Å
9	P	79.5	Confident	68.2	Low	51 Å²	51	112.2 Å²	112.2	33%	0.331	56%	0.562	S	S	.	*			trans	-62.1	135.7	176.7	26.3	-33.6	0	0	0	109.2	G11 Y29	P9-G11 VanDerWaalsContact C-N 3.27Å; P9-Y29 HydrophobicContact CB-CD1 4.24Å; P9-Y29 HydrophobicContact CB-CE1 3.77Å; P9-Y29 HydrophobicContact CG-CE1 4.44Å
10	E	81.3	Confident	68.1	Low	69 Å²	69	113.4 Å²	113.4	32%	0.322	57%	0.565	S	S	.	*	S	Bend	trans	-66.3	-38	175	-177.7	-149.6	149.9	0	0	110.3	Q8 W28 R30	Q8-E10 PolarHBondContact O-N 3.2Å; E10-W28 PolarHBondContact N-O 3.48Å; E10-W28 VanDerWaalsContact OE2-CD1 3.3Å; E10-R30 HydrophobicContact CB-CB 4.4Å; E10-R30 VanDerWaalsContact CD-CD 3.45Å; E10-R30 HydrophobicContact CG-CB 4.46Å; E10-R30 IonicContact OE1-CZ 2.72Å; E10-R30 IonicContact OE1-NE 2.79Å; E10-R30 PolarHBondContact OE1-NE 3.49Å; E10-R30 IonicContact OE1-NH2 2.77Å; E10-R30 PolarHBondContact OE1-NH2 2.97Å; E10-R30 VanDerWaalsContact OE2-CB 3.32Å; E10-R30 WeakPolarHBondContact OE2-CB 3.34Å; E10-R30 WeakPolarHBondContact OE2-CD 3.18Å; E10-R30 WeakPolarHBondContact OE2-CG 3.4Å; E10-R30 IonicContact OE2-CZ 3.13Å; E10-R30 IonicContact OE2-NE 3.25Å; E10-R30 PolarHBondContact OE2-NE 2.79Å; E10-R30 IonicContact OE2-NH2 2.91Å
11	G	85.6	Confident	68.3	Low	16 Å²	16	109 Å²	109	17%	0.165	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	164.7	177.4	0	0	0	0	0	111.3	P9 W28	P9-G11 VanDerWaalsContact C-N 3.27Å; G11-W28 PolarHBondContact O-N 3.13Å; G11-W28 VanDerWaalsContact O-N 3.08Å
12	Y	89.7	Confident	70.7	Confident	162 Å²	162	103.2 Å²	103.2	64%	0.635	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.8	174.4	70.7	-86.2	0	0	0	110.4	V14 F26	Y12-V14 HydrophobicContact CD2-CG2 4.3Å; Y12-F26 CarbonylContact C-O 3.58Å; Y12-F26 WeakPolarHBondContact CA-O 3.41Å
13	R	88.9	Confident	73	Confident	81 Å²	81	102.3 Å²	102.3	31%	0.306	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	122.8	175.4	-169.4	-178.5	177.8	159.9	0	110	E15 N25 F26 W28 Y59	R13-E15 HydrophobicContact CG-CG 4.08Å; R13-E15 IonicContact CZ-OE1 3.99Å; R13-E15 IonicContact NE-OE1 2.92Å; R13-E15 PolarHBondContact NE-OE1 2.95Å; R13-E15 IonicContact NH2-OE1 2.66Å; R13-E15 PolarHBondContact NH2-OE1 3.42Å; R13-N25 PolarHBondContact O-OD1 2.93Å; R13-F26 PolarHBondContact N-O 3.41Å; R13-F26 PolarHBondContact O-N 3.43Å; R13-W28 HydrophobicContact CB-CH2 4.16Å; R13-W28 HydrophobicContact CB-CZ3 4.01Å; R13-Y59 WeakPolarHBondContact CD-O 3.32Å; R13-Y59 PolarHBondContact NE-O 3.5Å; R13-Y59 VanDerWaalsContact NE-O 3.15Å; R13-Y59 PolarHBondContact NH1-O 3.06Å
14	V	89.8	Confident	75.2	Confident	51 Å²	51	95.2 Å²	95.2	31%	0.309	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124	174.7	-178.8	0	0	0	0	109.4	Y12 R23 V24 N25 V144	Y12-V14 HydrophobicContact CD2-CG2 4.3Å; V14-R23 HydrophobicContact CG1-CB 4.35Å; V14-V24 CarbonylContact C-O 3.54Å; V14-V24 WeakPolarHBondContact CA-O 3.49Å; V14-N25 HydrophobicContact CG2-CB 4.14Å; V14-V144 HydrophobicContact CG1-CG2 4.04Å; V14-V144 HydrophobicContact CG2-CG2 4.33Å
15	E	88.5	Confident	77.4	Confident	56 Å²	56	93.3 Å²	93.3	26%	0.262	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	158	179.5	-74.2	-65.9	169.6	0	0	110.8	R13 R23 V24 F26 Y59	R13-E15 HydrophobicContact CG-CG 4.08Å; R13-E15 IonicContact CZ-OE1 3.99Å; R13-E15 IonicContact NE-OE1 2.92Å; R13-E15 PolarHBondContact NE-OE1 2.95Å; R13-E15 IonicContact NH2-OE1 2.66Å; R13-E15 PolarHBondContact NH2-OE1 3.42Å; E15-R23 WeakPolarHBondContact O-CA 3.37Å; E15-V24 PolarHBondContact N-O 3.49Å; E15-V24 PolarHBondContact O-N 3.16Å; E15-F26 HydrophobicContact CB-CE2 4.32Å; E15-Y59 HydrophobicContact CB-CD1 4.07Å; E15-Y59 HydrophobicContact CB-CG 4.37Å; E15-Y59 HydrophobicContact CG-CD1 4.21Å
16	R	86.2	Confident	79.8	Confident	174 Å²	174	81.4 Å²	81.4	66%	0.657	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.5	170.5	-69.7	-173.1	-180	-160.2	-1.3	109.4	G21 R22 R23	R16-G21 WeakPolarHBondContact CG-O 3.49Å; R16-R22 WeakPolarHBondContact CA-O 3.42Å; R16-R23 HydrophobicContact CG-CG 4.07Å
17	V	81.8	Confident	81.8	Confident	25 Å²	25	75.8 Å²	75.8	15%	0.152	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.8	-176.7	-175.8	0	0	0	0	110.2	R22 V24 F26 Y59	V17-R22 PolarHBondContact N-O 3.39Å; V17-V24 HydrophobicContact CB-CG2 3.95Å; V17-V24 HydrophobicContact CG2-CB 3.88Å; V17-V24 HydrophobicContact CG2-CG2 3.87Å; V17-F26 HydrophobicContact CG2-CE2 4.09Å; V17-F26 HydrophobicContact CG2-CZ 4.09Å; V17-Y59 HydrophobicContact CB-CE2 4.34Å; V17-Y59 HydrophobicContact CG1-CE2 3.89Å; V17-Y59 HydrophobicContact CG2-CD2 3.99Å; V17-Y59 HydrophobicContact CG2-CE2 3.79Å; V17-Y59 HydrophobicContact CG2-CG 4.5Å
18	G	72.8	Confident	83.4	Confident	54 Å²	54	73.3 Å²	73.3	56%	0.557	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	178.8	178.3	0	0	0	0	0	114.5	H20 G21	G18-H20 VanDerWaalsContact C-N 3.34Å; G18-G21 PolarHBondContact O-N 3.06Å
19	L	64.5	Low	84.2	Confident	176 Å²	176	66 Å²	66	92%	0.921	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-33.6	-177.2	-157.4	80.7	0	0	0	112.3	G21	L19-G21 VanDerWaalsContact C-N 3.25Å; L19-G21 PolarHBondContact O-N 3.41Å
20	H	66.3	Low	84.4	Confident	135 Å²	135	65.9 Å²	65.9	63%	0.625	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-2	-178.3	-58.9	-62.8	0	0	0	113.8	G18 R22	G18-H20 VanDerWaalsContact C-N 3.34Å; H20-R22 VanDerWaalsContact C-N 3.29Å; H20-R22 PolarHBondContact O-N 3.3Å
21	G	71.2	Confident	84	Confident	22 Å²	22	68.9 Å²	68.9	23%	0.227	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	25.1	174.4	0	0	0	0	0	115.1	R16 G18 L19 R23	R16-G21 WeakPolarHBondContact CG-O 3.49Å; G18-G21 PolarHBondContact O-N 3.06Å; L19-G21 VanDerWaalsContact C-N 3.25Å; L19-G21 PolarHBondContact O-N 3.41Å; G21-R23 PolarHBondContact O-N 3.46Å
22	R	83.5	Confident	83.7	Confident	131 Å²	131	68.5 Å²	68.5	49%	0.494	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	133.2	176.5	-68.2	-170.6	-171.6	178.1	3.1	109.9	R16 V17 H20 E143	R16-R22 WeakPolarHBondContact CA-O 3.42Å; V17-R22 PolarHBondContact N-O 3.39Å; H20-R22 VanDerWaalsContact C-N 3.29Å; H20-R22 PolarHBondContact O-N 3.3Å; R22-E143 IonicContact NH1-OE1 3.32Å; R22-E143 PolarHBondContact NH1-OE1 3.49Å
23	R	88	Confident	83.3	Confident	99 Å²	99	65.8 Å²	65.8	37%	0.374	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.8	177.4	-62.8	175.5	66.9	-149.4	3.8	109.6	V14 E15 R16 G21 V144 D145	V14-R23 HydrophobicContact CG1-CB 4.35Å; E15-R23 WeakPolarHBondContact O-CA 3.37Å; R16-R23 HydrophobicContact CG-CG 4.07Å; G21-R23 PolarHBondContact O-N 3.46Å; R23-V144 HydrophobicContact CB-CB 3.99Å; R23-V144 HydrophobicContact CB-CG2 4.38Å; R23-V144 PolarHBondContact O-N 2.72Å; R23-D145 VanDerWaalsContact CB-OD2 3.32Å; R23-D145 WeakPolarHBondContact CB-OD2 3.48Å; R23-D145 WeakPolarHBondContact CG-OD2 3.48Å; R23-D145 PolarHBondContact N-OD2 3.36Å; R23-D145 IonicContact NH1-OD1 2.79Å
24	V	90.8	Very high	83.3	Confident	6 Å²	6	62 Å²	62	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.4	-180	177.1	0	0	0	0	108	V14 E15 V17 F26 K141 S142	V14-V24 CarbonylContact C-O 3.54Å; V14-V24 WeakPolarHBondContact CA-O 3.49Å; E15-V24 PolarHBondContact N-O 3.49Å; E15-V24 PolarHBondContact O-N 3.16Å; V17-V24 HydrophobicContact CB-CG2 3.95Å; V17-V24 HydrophobicContact CG2-CB 3.88Å; V17-V24 HydrophobicContact CG2-CG2 3.87Å; V24-F26 HydrophobicContact CB-CE2 4.26Å; V24-F26 HydrophobicContact CB-CZ 4.45Å; V24-F26 HydrophobicContact CG1-CD2 4.37Å; V24-F26 HydrophobicContact CG1-CE1 4.15Å; V24-F26 HydrophobicContact CG1-CE2 3.85Å; V24-F26 HydrophobicContact CG1-CZ 3.73Å; V24-K141 HydrophobicContact CG1-CD 4.02Å; V24-K141 HydrophobicContact CG1-CG 3.3Å; V24-S142 CarbonylContact C-O 3.4Å; V24-S142 WeakPolarHBondContact CA-O 3.49Å; V24-S142 WeakPolarHBondContact CG1-O 3.45Å
25	N	91.2	Very high	83.3	Confident	31 Å²	31	67.8 Å²	67.8	17%	0.166	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.1	173.3	-170.6	19.3	0	0	0	109.9	R13 V14 T27 K141 S142 V144	R13-N25 PolarHBondContact O-OD1 2.93Å; V14-N25 HydrophobicContact CG2-CB 4.14Å; N25-T27 WeakPolarHBondContact ND2-CG2 3.45Å; N25-K141 CarbonylContact O-C 3.42Å; N25-K141 WeakPolarHBondContact O-CA 3.48Å; N25-S142 PolarHBondContact N-O 3.08Å; N25-S142 PolarHBondContact O-N 2.77Å; N25-S142 PolarHBondContact O-OG 3.47Å; N25-V144 HydrophobicContact CB-CG2 3.59Å
26	F	93.5	Very high	83.4	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.5	169.8	-61.4	-81.2	0	0	0	107.9	Y12 R13 E15 V17 V24 P52 D56 Y59 F60 C140 K141	Y12-F26 CarbonylContact C-O 3.58Å; Y12-F26 WeakPolarHBondContact CA-O 3.41Å; R13-F26 PolarHBondContact N-O 3.41Å; R13-F26 PolarHBondContact O-N 3.43Å; E15-F26 HydrophobicContact CB-CE2 4.32Å; V17-F26 HydrophobicContact CG2-CE2 4.09Å; V17-F26 HydrophobicContact CG2-CZ 4.09Å; V24-F26 HydrophobicContact CB-CE2 4.26Å; V24-F26 HydrophobicContact CB-CZ 4.45Å; V24-F26 HydrophobicContact CG1-CD2 4.37Å; V24-F26 HydrophobicContact CG1-CE1 4.15Å; V24-F26 HydrophobicContact CG1-CE2 3.85Å; V24-F26 HydrophobicContact CG1-CZ 3.73Å; F26-P52 HydrophobicContact CD1-CB 4.32Å; F26-P52 HydrophobicContact CE1-CB 4.16Å; F26-D56 HydrophobicContact CE1-CB 3.68Å; F26-D56 HydrophobicContact CZ-CB 3.85Å; F26-Y59 HydrophobicContact CE2-CD2 4.38Å; F26-Y59 HydrophobicContact CE2-CG 4.32Å; F26-Y59 HydrophobicContact CZ-CD2 4.25Å; F26-F60 HydrophobicContact CB-CB 4.04Å; F26-F60 HydrophobicContact CB-CD1 4.47Å; F26-F60 HydrophobicContact CB-CG 4.4Å; F26-F60 AromaticContact CD1-CD1 3.65Å; F26-F60 HydrophobicContact CD1-CD1 3.65Å; F26-F60 HydrophobicContact CD1-CE1 4.13Å; F26-F60 HydrophobicContact CD1-CG 4.36Å; F26-F60 AromaticContact CE1-CD1 3.98Å; F26-F60 HydrophobicContact CE1-CD1 3.98Å; F26-F60 HydrophobicContact CE1-CE1 4.27Å; F26-F60 HydrophobicContact CG-CB 4.2Å; F26-F60 AromaticContact CG-CD1 3.99Å; F26-F60 HydrophobicContact CG-CD1 3.99Å; F26-F60 HydrophobicContact CG-CG 4.37Å; F26-C140 CarbonylContact C-O 3.51Å; F26-C140 WeakPolarHBondContact CA-O 3.07Å; F26-K141 HydrophobicContact CD1-CB 4.2Å; F26-K141 HydrophobicContact CD1-CG 4.23Å; F26-K141 HydrophobicContact CE1-CB 4.13Å; F26-K141 HydrophobicContact CE1-CD 4.05Å; F26-K141 HydrophobicContact CE1-CG 3.78Å; F26-K141 HydrophobicContact CZ-CG 4.39Å
27	T	93	Very high	83.7	Confident	11 Å²	11	60.7 Å²	60.7	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.1	178.1	53.5	0	0	0	0	108.9	N25 V139 C140	N25-T27 WeakPolarHBondContact ND2-CG2 3.45Å; T27-V139 CarbonylContact O-C 3.6Å; T27-V139 WeakPolarHBondContact O-CA 3.14Å; T27-C140 PolarHBondContact N-O 2.87Å; T27-C140 PolarHBondContact O-N 3.34Å; T27-C140 PolarHBondContact OG1-O 3.01Å
28	W	92.4	Very high	84.1	Confident	15 Å²	15	62.3 Å²	62.3	6%	0.057	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.2	175.8	56.9	86.2	0	0	0	112.9	E10 G11 R13 F60 L64 L137 L138 V139	E10-W28 PolarHBondContact N-O 3.48Å; E10-W28 VanDerWaalsContact OE2-CD1 3.3Å; G11-W28 PolarHBondContact O-N 3.13Å; G11-W28 VanDerWaalsContact O-N 3.08Å; R13-W28 HydrophobicContact CB-CH2 4.16Å; R13-W28 HydrophobicContact CB-CZ3 4.01Å; W28-F60 HydrophobicContact CZ3-CB 4.46Å; W28-L64 HydrophobicContact CB-CD2 4.21Å; W28-L64 HydrophobicContact CD2-CD2 3.62Å; W28-L64 HydrophobicContact CE3-CD2 3.92Å; W28-L64 HydrophobicContact CG-CD2 3.75Å; W28-L137 HydrophobicContact CB-CD1 4.18Å; W28-L138 CarbonylContact C-O 3.37Å; W28-L138 WeakPolarHBondContact CA-O 3.37Å; W28-L138 WeakPolarHBondContact CB-O 3.48Å; W28-V139 HydrophobicContact CB-CG2 4.06Å
29	Y	89.8	Confident	85.1	Confident	22 Å²	22	62.7 Å²	62.7	9%	0.086	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.2	-174.7	-52.3	-94.5	0	0	0	108.6	E7 P9 L47 L138	E7-Y29 HydrophobicContact CB-CD1 4.09Å; E7-Y29 VanDerWaalsContact O-CE1 3.24Å; E7-Y29 WeakPolarHBondContact O-CE1 3.4Å; P9-Y29 HydrophobicContact CB-CD1 4.24Å; P9-Y29 HydrophobicContact CB-CE1 3.77Å; P9-Y29 HydrophobicContact CG-CE1 4.44Å; Y29-L47 HydrophobicContact CD2-CD1 4.45Å; Y29-L47 HydrophobicContact CE2-CD1 3.66Å; Y29-L138 HydrophobicContact CD2-CB 4.33Å; Y29-L138 HydrophobicContact CD2-CD2 4.1Å; Y29-L138 HydrophobicContact CD2-CG 4.38Å; Y29-L138 PolarHBondContact N-O 2.77Å; Y29-L138 PolarHBondContact O-N 2.87Å
30	R	83	Confident	86.4	Confident	47 Å²	47	54.4 Å²	54.4	18%	0.177	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	164.5	-178.5	-115.7	-173	-139.5	-166.6	28.6	112.5	E10 V32 Q65 I69 L137	E10-R30 HydrophobicContact CB-CB 4.4Å; E10-R30 VanDerWaalsContact CD-CD 3.45Å; E10-R30 HydrophobicContact CG-CB 4.46Å; E10-R30 IonicContact OE1-CZ 2.72Å; E10-R30 IonicContact OE1-NE 2.79Å; E10-R30 PolarHBondContact OE1-NE 3.49Å; E10-R30 IonicContact OE1-NH2 2.77Å; E10-R30 PolarHBondContact OE1-NH2 2.97Å; E10-R30 VanDerWaalsContact OE2-CB 3.32Å; E10-R30 WeakPolarHBondContact OE2-CB 3.34Å; E10-R30 WeakPolarHBondContact OE2-CD 3.18Å; E10-R30 WeakPolarHBondContact OE2-CG 3.4Å; E10-R30 IonicContact OE2-CZ 3.13Å; E10-R30 IonicContact OE2-NE 3.25Å; E10-R30 PolarHBondContact OE2-NE 2.79Å; E10-R30 IonicContact OE2-NH2 2.91Å; R30-V32 PolarHBondContact O-N 2.84Å; R30-V32 VanDerWaalsContact O-N 3.11Å; R30-Q65 PolarHBondContact NH2-O 2.98Å; R30-I69 VanDerWaalsContact CD-CD1 3.48Å; R30-I69 HydrophobicContact CG-CD1 3.6Å; R30-L137 HydrophobicContact CB-CD1 4.45Å; R30-L137 HydrophobicContact CG-CD1 3.77Å
31	N	73.2	Confident	87.7	Confident	133 Å²	133	48.9 Å²	48.9	71%	0.711	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	57.2	23.5	177.7	-61.1	-21.9	0	0	0	113.5	N136	N31-N136 PolarHBondContact N-O 2.9Å
32	V	80	Confident	88.7	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.042	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.1	175.9	-175.2	0	0	0	0	107.8	R30 I34 K43 A135 N136	R30-V32 PolarHBondContact O-N 2.84Å; R30-V32 VanDerWaalsContact O-N 3.11Å; V32-I34 HydrophobicContact CB-CG1 4.47Å; V32-I34 HydrophobicContact CG1-CG1 3.87Å; V32-I34 PolarHBondContact O-N 2.74Å; V32-K43 HydrophobicContact CG1-CD 4.25Å; V32-A135 VanDerWaalsContact O-O 3.1Å; V32-N136 PolarHBondContact N-O 2.84Å; V32-N136 CarbonylContact O-C 3.53Å; V32-N136 VanDerWaalsContact O-CA 3.28Å; V32-N136 WeakPolarHBondContact O-CA 3.44Å
33	T	81.4	Confident	89.1	Confident	105 Å²	105	48.2 Å²	48.2	64%	0.644	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	102.8	172.9	46.9	0	0	0	0	109.9
34	I	89	Confident	89.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.7	175.4	-53.1	171.3	0	0	0	107.6	V32 S36 Q39 A40 Y88 H134 A135 L138	V32-I34 HydrophobicContact CB-CG1 4.47Å; V32-I34 HydrophobicContact CG1-CG1 3.87Å; V32-I34 PolarHBondContact O-N 2.74Å; I34-S36 WeakPolarHBondContact CG2-O 3.38Å; I34-Q39 HydrophobicContact CG2-CB 4.33Å; I34-A40 HydrophobicContact CD1-CB 4.27Å; I34-A40 HydrophobicContact CG2-CB 3.85Å; I34-Y88 HydrophobicContact CG2-CD2 4.05Å; I34-Y88 HydrophobicContact CG2-CE2 3.79Å; I34-H134 CarbonylContact O-C 3.54Å; I34-H134 VanDerWaalsContact O-CA 3.3Å; I34-H134 WeakPolarHBondContact O-CA 3.47Å; I34-A135 HydrophobicContact CB-CB 4.09Å; I34-A135 HydrophobicContact CD1-CB 4.29Å; I34-A135 PolarHBondContact N-O 2.72Å; I34-A135 PolarHBondContact O-N 3.15Å; I34-L138 HydrophobicContact CD1-CB 3.86Å; I34-L138 HydrophobicContact CD1-CD1 3.72Å; I34-L138 HydrophobicContact CD1-CG 4.38Å
35	R	89.2	Confident	89.5	Confident	174 Å²	174	46.3 Å²	46.3	66%	0.657	24%	0.237	S	C	*	.			trans	-95.2	-22.5	-177.9	-58.3	-172.8	178.2	176	-0.7	113.3	L132	R35-L132 CarbonylContact O-C 3.56Å
36	S	90.3	Very high	89.4	Confident	29 Å²	29	52.2 Å²	52.2	20%	0.203	26%	0.258	C	S	.	.	S	Bend	trans	-150.8	159.1	-178.4	66.8	0	0	0	0	111.8	I34 V38 Q39 A40 Y88 C131	I34-S36 WeakPolarHBondContact CG2-O 3.38Å; S36-V38 VanDerWaalsContact C-N 3.27Å; S36-V38 PolarHBondContact O-N 2.94Å; S36-Q39 WeakPolarHBondContact O-CB 3.41Å; S36-Q39 PolarHBondContact O-N 2.93Å; S36-Q39 WeakPolarHBondContact OG-CB 3.42Å; S36-Q39 PolarHBondContact OG-N 3Å; S36-A40 PolarHBondContact O-N 3.39Å; S36-A40 VanDerWaalsContact O-N 3.16Å; S36-Y88 WeakPolarHBondContact CA-OH 3.2Å; S36-C131 CarbonylContact C-O 3.4Å; S36-C131 VanDerWaalsContact CA-O 3.24Å; S36-C131 WeakPolarHBondContact CA-O 2.99Å; S36-C131 WeakPolarHBondContact CB-O 3.24Å
37	W	92.5	Very high	89.1	Confident	52 Å²	52	55 Å²	55	20%	0.197	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-41.8	174.3	179.1	89.8	0	0	0	111.8	Q39 A40 A41 L51 Y88 L89 V92 C109 C131	W37-Q39 VanDerWaalsContact C-N 3.3Å; W37-Q39 PolarHBondContact O-N 2.95Å; W37-A40 WeakPolarHBondContact O-CA 3.44Å; W37-A40 VanDerWaalsContact O-CB 3.3Å; W37-A40 WeakPolarHBondContact O-CB 3.4Å; W37-A40 PolarHBondContact O-N 2.93Å; W37-A41 HydrophobicContact CH2-CB 4.32Å; W37-A41 HydrophobicContact CZ3-CB 4.32Å; W37-A41 PolarHBondContact O-N 3.41Å; W37-L51 HydrophobicContact CZ2-CD1 4.22Å; W37-Y88 HydrophobicContact CB-CD1 3.97Å; W37-Y88 HydrophobicContact CB-CE1 3.77Å; W37-Y88 HydrophobicContact CB-CG 4.41Å; W37-Y88 AromaticContact CD1-CD1 3.64Å; W37-Y88 AromaticContact CD1-CG 3.97Å; W37-Y88 HydrophobicContact CG-CD1 4.22Å; W37-Y88 HydrophobicContact CG-CE1 4.48Å; W37-Y88 VanDerWaalsContact N-CZ 3.32Å; W37-Y88 PolarHBondContact N-OH 3.29Å; W37-L89 PolarHBondContact NE1-O 2.97Å; W37-V92 HydrophobicContact CD2-CG2 4.34Å; W37-V92 HydrophobicContact CH2-CG2 4.07Å; W37-V92 HydrophobicContact CZ2-CG2 3.59Å; W37-C109 HydrophobicContact CB-CB 3.99Å; W37-C109 VanDerWaalsContact CB-SG 3.52Å; W37-C109 HydrophobicContact CG-CB 3.94Å; W37-C131 HydrophobicContact CB-CB 4.35Å; W37-C131 PolarHBondContact N-O 2.69Å
38	V	91	Very high	89	Confident	59 Å²	59	61.7 Å²	61.7	36%	0.358	31%	0.308	S	S	.	.	H	α-helix	trans	-59	-44.5	177.9	-179.2	0	0	0	0	110.4	S36 A40 A41 D42 I102	S36-V38 VanDerWaalsContact C-N 3.27Å; S36-V38 PolarHBondContact O-N 2.94Å; V38-A40 VanDerWaalsContact C-N 3.27Å; V38-A40 PolarHBondContact O-N 3.25Å; V38-A41 PolarHBondContact O-N 3.46Å; V38-D42 WeakPolarHBondContact O-CB 3.41Å; V38-D42 VanDerWaalsContact O-CG 3.24Å; V38-D42 PolarHBondContact O-N 2.9Å; V38-I102 HydrophobicContact CG2-CD1 3.77Å
39	Q	92.2	Very high	88.9	Confident	62 Å²	62	61.4 Å²	61.4	29%	0.29	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-35.8	176.5	-170	-176.1	20.8	0	0	112.3	I34 S36 W37 K43	I34-Q39 HydrophobicContact CG2-CB 4.33Å; S36-Q39 WeakPolarHBondContact O-CB 3.41Å; S36-Q39 PolarHBondContact O-N 2.93Å; S36-Q39 WeakPolarHBondContact OG-CB 3.42Å; S36-Q39 PolarHBondContact OG-N 3Å; W37-Q39 VanDerWaalsContact C-N 3.3Å; W37-Q39 PolarHBondContact O-N 2.95Å; Q39-K43 WeakPolarHBondContact O-CB 3.11Å; Q39-K43 WeakPolarHBondContact O-CG 3.11Å; Q39-K43 PolarHBondContact O-N 3.25Å
40	A	92.8	Very high	89.1	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.008	33%	0.334	C	S	.	.	H	α-helix	trans	-66.2	-45.6	175.4	0	0	0	0	0	111.5	I34 S36 W37 V38 K43 C44 L51 Y88 L138	I34-A40 HydrophobicContact CD1-CB 4.27Å; I34-A40 HydrophobicContact CG2-CB 3.85Å; S36-A40 PolarHBondContact O-N 3.39Å; S36-A40 VanDerWaalsContact O-N 3.16Å; W37-A40 WeakPolarHBondContact O-CA 3.44Å; W37-A40 VanDerWaalsContact O-CB 3.3Å; W37-A40 WeakPolarHBondContact O-CB 3.4Å; W37-A40 PolarHBondContact O-N 2.93Å; V38-A40 VanDerWaalsContact C-N 3.27Å; V38-A40 PolarHBondContact O-N 3.25Å; A40-K43 PolarHBondContact O-N 2.95Å; A40-C44 PolarHBondContact O-N 2.91Å; A40-L51 HydrophobicContact CB-CD1 4.24Å; A40-L51 HydrophobicContact CB-CD2 4.02Å; A40-Y88 HydrophobicContact CB-CD2 3.76Å; A40-Y88 HydrophobicContact CB-CG 4.33Å; A40-L138 HydrophobicContact CB-CD1 4.01Å
41	A	93.5	Very high	89.7	Confident	19 Å²	19	64.6 Å²	64.6	16%	0.157	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-44.4	178.4	0	0	0	0	0	111.7	W37 V38 K43 C44 S45 L51	W37-A41 HydrophobicContact CH2-CB 4.32Å; W37-A41 HydrophobicContact CZ3-CB 4.32Å; W37-A41 PolarHBondContact O-N 3.41Å; V38-A41 PolarHBondContact O-N 3.46Å; A41-K43 PolarHBondContact O-N 3.39Å; A41-C44 PolarHBondContact O-N 3.25Å; A41-S45 WeakPolarHBondContact O-CB 3.37Å; A41-S45 PolarHBondContact O-N 2.81Å; A41-S45 PolarHBondContact O-OG 3.25Å; A41-L51 HydrophobicContact CB-CD1 3.94Å
42	D	92.7	Very high	90.6	Very high	99 Å²	99	58.2 Å²	58.2	53%	0.529	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-42.7	177.3	-68.9	-19.4	0	0	0	111.6	V38 S45 Y46	V38-D42 WeakPolarHBondContact O-CB 3.41Å; V38-D42 VanDerWaalsContact O-CG 3.24Å; V38-D42 PolarHBondContact O-N 2.9Å; D42-S45 PolarHBondContact O-N 3.38Å; D42-Y46 PolarHBondContact O-N 2.72Å
43	K	92.4	Very high	91.2	Very high	41 Å²	41	63 Å²	63	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-44.5	176.5	-80.9	-169.7	170.7	-147.8	0	112.4	E7 V32 Q39 A40 A41 S45 Y46 L47 L138	E7-K43 IonicContact OE1-NZ 2.87Å; V32-K43 HydrophobicContact CG1-CD 4.25Å; Q39-K43 WeakPolarHBondContact O-CB 3.11Å; Q39-K43 WeakPolarHBondContact O-CG 3.11Å; Q39-K43 PolarHBondContact O-N 3.25Å; A40-K43 PolarHBondContact O-N 2.95Å; A41-K43 PolarHBondContact O-N 3.39Å; K43-S45 VanDerWaalsContact C-N 3.33Å; K43-Y46 PolarHBondContact O-N 2.81Å; K43-L47 WeakPolarHBondContact O-CG 3.14Å; K43-L47 PolarHBondContact O-N 2.79Å; K43-L138 HydrophobicContact CB-CD1 4.47Å; K43-L138 HydrophobicContact CB-CD2 3.75Å; K43-L138 HydrophobicContact CD-CD2 4.17Å
44	C	93.3	Very high	91.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-39.3	175	-70.6	0	0	0	0	111.6	A40 A41 Y46 L47 N48 S49 C140	A40-C44 PolarHBondContact O-N 2.91Å; A41-C44 PolarHBondContact O-N 3.25Å; C44-Y46 VanDerWaalsContact C-N 3.32Å; C44-Y46 PolarHBondContact O-N 2.77Å; C44-L47 CarbonylContact O-C 3.58Å; C44-L47 WeakPolarHBondContact O-CA 3.48Å; C44-L47 WeakPolarHBondContact O-CB 3.4Å; C44-L47 PolarHBondContact O-N 3.2Å; C44-N48 PolarHBondContact O-N 2.86Å; C44-S49 CarbonylContact C-O 3.56Å; C44-S49 CarbonylContact O-C 3.59Å; C44-S49 WeakPolarHBondContact O-CA 3.44Å; C44-S49 WeakPolarHBondContact O-CB 3.38Å; C44-S49 PolarHBondContact O-N 2.05Å; C44-C140 WeakPolarHBondContact CA-SG 3.14Å; C44-C140 HydrophobicContact CB-CB 3.9Å; C44-C140 WeakPolarHBondContact CB-SG 3.04Å; C44-C140 VanDerWaalsContact SG-CA 3.51Å; C44-C140 WeakPolarHBondContact SG-CB 3.36Å; C44-C140 CovalentContact SG-SG 2.05Å; C44-C140 PolarHBondContact SG-SG 2.91Å
45	S	92	Very high	91.7	Very high	64 Å²	64	66.9 Å²	66.9	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-39.7	178.8	-58.9	0	0	0	0	111.8	A41 D42 K43 L47 N48 S49	A41-S45 WeakPolarHBondContact O-CB 3.37Å; A41-S45 PolarHBondContact O-N 2.81Å; A41-S45 PolarHBondContact O-OG 3.25Å; D42-S45 PolarHBondContact O-N 3.38Å; K43-S45 VanDerWaalsContact C-N 3.33Å; S45-L47 PolarHBondContact O-N 2.8Å; S45-N48 PolarHBondContact O-N 3.49Å; S45-S49 WeakPolarHBondContact CA-O 3.33Å; S45-S49 PolarHBondContact N-O 3.08Å
46	Y	89.3	Confident	91.8	Very high	156 Å²	156	59 Å²	59	61%	0.612	31%	0.306	S	S	*	.	H	α-helix	trans	-60	-28.3	172.5	-176.7	-99.6	0	0	0	113.1	L4 D42 K43 C44 N48	L4-Y46 HydrophobicContact CB-CE1 3.92Å; L4-Y46 HydrophobicContact CD1-CD1 4.22Å; L4-Y46 HydrophobicContact CD1-CE1 4.11Å; D42-Y46 PolarHBondContact O-N 2.72Å; K43-Y46 PolarHBondContact O-N 2.81Å; C44-Y46 VanDerWaalsContact C-N 3.32Å; C44-Y46 PolarHBondContact O-N 2.77Å; Y46-N48 VanDerWaalsContact C-N 3.29Å; Y46-N48 PolarHBondContact O-N 3.18Å
47	L	88.7	Confident	91.7	Very high	58 Å²	58	58.4 Å²	58.4	30%	0.304	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	18.5	176	-60.5	170.6	0	0	0	112.8	Y29 K43 C44 S45 S49	Y29-L47 HydrophobicContact CD2-CD1 4.45Å; Y29-L47 HydrophobicContact CE2-CD1 3.66Å; K43-L47 WeakPolarHBondContact O-CG 3.14Å; K43-L47 PolarHBondContact O-N 2.79Å; C44-L47 CarbonylContact O-C 3.58Å; C44-L47 WeakPolarHBondContact O-CA 3.48Å; C44-L47 WeakPolarHBondContact O-CB 3.4Å; C44-L47 PolarHBondContact O-N 3.2Å; S45-L47 PolarHBondContact O-N 2.8Å; L47-S49 PolarHBondContact O-N 3.15Å; L47-S49 VanDerWaalsContact O-N 3.13Å; L47-S49 PolarHBondContact O-OG 2.92Å
48	N	89.6	Confident	91.5	Very high	152 Å²	152	64.8 Å²	64.8	81%	0.813	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	36.3	-173.6	-63	-43.7	0	0	0	112.8	C44 S45 Y46	C44-N48 PolarHBondContact O-N 2.86Å; S45-N48 PolarHBondContact O-N 3.49Å; Y46-N48 VanDerWaalsContact C-N 3.29Å; Y46-N48 PolarHBondContact O-N 3.18Å
49	S	91.6	Very high	91.4	Very high	9 Å²	9	63.6 Å²	63.6	6%	0.063	31%	0.314	C	S	.	.			trans	-132.6	167.3	-174.2	-60.4	0	0	0	0	110	C44 S45 L47 K141 S142	C44-S49 CarbonylContact C-O 3.56Å; C44-S49 CarbonylContact O-C 3.59Å; C44-S49 WeakPolarHBondContact O-CA 3.44Å; C44-S49 WeakPolarHBondContact O-CB 3.38Å; C44-S49 PolarHBondContact O-N 2.05Å; S45-S49 WeakPolarHBondContact CA-O 3.33Å; S45-S49 PolarHBondContact N-O 3.08Å; L47-S49 PolarHBondContact O-N 3.15Å; L47-S49 VanDerWaalsContact O-N 3.13Å; L47-S49 PolarHBondContact O-OG 2.92Å; S49-K141 CarbonylContact C-O 3.4Å; S49-K141 WeakPolarHBondContact CA-O 3.3Å; S49-K141 WeakPolarHBondContact CB-O 3.08Å; S49-S142 WeakPolarHBondContact OG-CB 3.44Å
50	L	93.4	Very high	91.2	Very high	120 Å²	120	60.7 Å²	60.7	63%	0.628	30%	0.3	S	S	*	.	B	Isolated β-bridge	trans	-122	162	178.4	-63	170.7	0	0	0	110.1	C140 K141	L50-C140 CarbonylContact O-C 3Å; L50-C140 WeakPolarHBondContact O-CA 3.38Å; L50-K141 PolarHBondContact N-O 2.85Å; L50-K141 WeakPolarHBondContact O-CB 3.33Å; L50-K141 PolarHBondContact O-N 2.94Å
51	L	94.7	Very high	91	Very high	15 Å²	15	62.5 Å²	62.5	8%	0.079	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-67.2	139.4	168.7	-71.4	171.2	0	0	0	110	W37 A40 A41 L138	W37-L51 HydrophobicContact CZ2-CD1 4.22Å; A40-L51 HydrophobicContact CB-CD1 4.24Å; A40-L51 HydrophobicContact CB-CD2 4.02Å; A41-L51 HydrophobicContact CB-CD1 3.94Å; L51-L138 HydrophobicContact CD2-CD1 4.42Å
52	P	93.9	Very high	90.6	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-66.4	143.6	174.7	29.2	-35.6	0	0	0	110.8	F26 D56 F60 L89 G90 V139	F26-P52 HydrophobicContact CD1-CB 4.32Å; F26-P52 HydrophobicContact CE1-CB 4.16Å; P52-D56 HydrophobicContact CB-CB 4.1Å; P52-F60 HydrophobicContact CB-CE1 3.6Å; P52-F60 HydrophobicContact CB-CZ 3.86Å; P52-F60 HydrophobicContact CG-CE1 3.96Å; P52-F60 HydrophobicContact CG-CZ 3.69Å; P52-L89 HydrophobicContact CG-CD2 4.33Å; P52-L89 CarbonylContact O-C 3.59Å; P52-L89 WeakPolarHBondContact O-CA 3.2Å; P52-G90 PolarHBondContact O-N 2.72Å; P52-V139 WeakPolarHBondContact CD-O 3.18Å; P52-V139 HydrophobicContact CG-CB 4.04Å; P52-V139 HydrophobicContact CG-CG1 3.83Å
53	K	92.6	Very high	90.2	Very high	106 Å²	106	68.3 Å²	68.3	46%	0.461	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-83.3	165.7	174.5	-64.6	-172.7	-179.6	-175.4	0	111.2	N55 D56 M57 D91	K53-N55 PolarHBondContact O-N 3.01Å; K53-D56 PolarHBondContact N-OD2 2.92Å; K53-D56 WeakPolarHBondContact O-CA 3.03Å; K53-D56 VanDerWaalsContact O-CB 3.28Å; K53-D56 WeakPolarHBondContact O-CB 2.95Å; K53-D56 PolarHBondContact O-N 2.88Å; K53-M57 PolarHBondContact O-N 3.11Å; K53-D91 VanDerWaalsContact C-OD2 3.26Å; K53-D91 WeakPolarHBondContact CA-OD2 3.41Å; K53-D91 WeakPolarHBondContact CB-OD2 3.32Å
54	V	91	Very high	89.8	Confident	66 Å²	66	66.5 Å²	66.5	40%	0.4	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-51.9	-40.9	174.6	173.7	0	0	0	0	110.5	D56 M57 L89 D91 L110	V54-D56 PolarHBondContact O-N 2.98Å; V54-M57 VanDerWaalsContact O-CB 3.26Å; V54-M57 WeakPolarHBondContact O-CB 3.44Å; V54-M57 PolarHBondContact O-N 2.66Å; V54-L89 HydrophobicContact CB-CD1 4.32Å; V54-L89 HydrophobicContact CG2-CD1 3.55Å; V54-D91 HydrophobicContact CG2-CB 4.07Å; V54-D91 WeakPolarHBondContact CG2-OD2 3.3Å; V54-D91 PolarHBondContact N-OD2 2.74Å; V54-L110 HydrophobicContact CG2-CD1 3.34Å
55	N	89.6	Confident	89.1	Confident	123 Å²	123	72 Å²	72	66%	0.658	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-68	-22.2	178	-69.1	-30.2	0	0	0	113.4	K53	K53-N55 PolarHBondContact O-N 3.01Å
56	D	90	Very high	88	Confident	8 Å²	8	69.2 Å²	69.2	4%	0.043	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-81.3	-19	178.4	-62.2	-42.7	0	0	0	112.2	F26 P52 K53 V54 R58 Y59 F60 K141	F26-D56 HydrophobicContact CE1-CB 3.68Å; F26-D56 HydrophobicContact CZ-CB 3.85Å; P52-D56 HydrophobicContact CB-CB 4.1Å; K53-D56 PolarHBondContact N-OD2 2.92Å; K53-D56 WeakPolarHBondContact O-CA 3.03Å; K53-D56 VanDerWaalsContact O-CB 3.28Å; K53-D56 WeakPolarHBondContact O-CB 2.95Å; K53-D56 PolarHBondContact O-N 2.88Å; V54-D56 PolarHBondContact O-N 2.98Å; D56-R58 PolarHBondContact O-N 2.87Å; D56-R58 VanDerWaalsContact O-N 3.1Å; D56-Y59 HydrophobicContact CB-CD2 4.48Å; D56-Y59 WeakPolarHBondContact O-CB 3.07Å; D56-Y59 VanDerWaalsContact O-CD2 3.27Å; D56-Y59 WeakPolarHBondContact O-CD2 3.48Å; D56-Y59 PolarHBondContact O-N 2.79Å; D56-F60 HydrophobicContact CB-CE1 4.29Å; D56-F60 WeakPolarHBondContact O-CD1 3.4Å; D56-F60 WeakPolarHBondContact O-CE1 3.42Å; D56-K141 VanDerWaalsContact CG-NZ 3.35Å; D56-K141 IonicContact OD1-NZ 2.74Å; D56-K141 PolarHBondContact OD1-NZ 2.71Å; D56-K141 WeakPolarHBondContact OD2-CD 3.29Å; D56-K141 IonicContact OD2-NZ 3.61Å; D56-K141 PolarHBondContact OD2-NZ 3.5Å
57	M	89.3	Confident	86.7	Confident	16 Å²	16	67 Å²	67	8%	0.079	33%	0.326	C	S	.	.	H	α-helix	trans	-52.8	-37.3	-177.1	-80.5	-76.7	-74.3	0	0	113.8	K53 V54 Y59 F60 Y61 F87 L89 I112 L120	K53-M57 PolarHBondContact O-N 3.11Å; V54-M57 VanDerWaalsContact O-CB 3.26Å; V54-M57 WeakPolarHBondContact O-CB 3.44Å; V54-M57 PolarHBondContact O-N 2.66Å; M57-Y59 PolarHBondContact O-N 3.02Å; M57-F60 HydrophobicContact CG-CZ 4.2Å; M57-F60 PolarHBondContact O-N 3.38Å; M57-F60 HydrophobicContact SD-CE1 4.19Å; M57-F60 HydrophobicContact SD-CE2 3.81Å; M57-F60 HydrophobicContact SD-CZ 3.4Å; M57-F60 WeakPolarHBondContact SD-CZ 3.28Å; M57-Y61 HydrophobicContact CE-CD2 3.23Å; M57-Y61 HydrophobicContact CE-CE2 3.9Å; M57-Y61 HydrophobicContact CE-CG 3.73Å; M57-Y61 WeakPolarHBondContact O-CB 3.04Å; M57-Y61 PolarHBondContact O-N 2.77Å; M57-Y61 HydrophobicContact SD-CD2 4.3Å; M57-F87 HydrophobicContact CE-CE2 4.3Å; M57-F87 HydrophobicContact CE-CZ 3.75Å; M57-F87 HydrophobicContact SD-CE2 3.54Å; M57-F87 VanDerWaalsContact SD-CE2 3.54Å; M57-F87 HydrophobicContact SD-CZ 3.52Å; M57-F87 VanDerWaalsContact SD-CZ 3.52Å; M57-L89 HydrophobicContact CG-CD1 4.2Å; M57-L89 HydrophobicContact CG-CD2 3.81Å; M57-L89 HydrophobicContact SD-CD2 3.72Å; M57-I112 HydrophobicContact CE-CB 4.49Å; M57-I112 HydrophobicContact CE-CG1 4.07Å; M57-I112 HydrophobicContact CE-CG2 4.04Å; M57-L120 HydrophobicContact CE-CD1 3.52Å
58	R	88.9	Confident	85	Confident	186 Å²	186	70.4 Å²	70.4	70%	0.702	34%	0.344	S	S	*	.	H	α-helix	trans	-56.8	-23.7	179.4	67.8	-174.1	178.8	-171.4	-1.4	113.6	D56	D56-R58 PolarHBondContact O-N 2.87Å; D56-R58 VanDerWaalsContact O-N 3.1Å
59	Y	88.7	Confident	83.4	Confident	35 Å²	35	63.5 Å²	63.5	14%	0.137	31%	0.307	C	S	.	.	H	α-helix	trans	-85	-36.6	-176.3	-61.3	-66.9	0	0	0	112.8	R13 E15 V17 F26 D56 M57	R13-Y59 WeakPolarHBondContact CD-O 3.32Å; R13-Y59 PolarHBondContact NE-O 3.5Å; R13-Y59 VanDerWaalsContact NE-O 3.15Å; R13-Y59 PolarHBondContact NH1-O 3.06Å; E15-Y59 HydrophobicContact CB-CD1 4.07Å; E15-Y59 HydrophobicContact CB-CG 4.37Å; E15-Y59 HydrophobicContact CG-CD1 4.21Å; V17-Y59 HydrophobicContact CB-CE2 4.34Å; V17-Y59 HydrophobicContact CG1-CE2 3.89Å; V17-Y59 HydrophobicContact CG2-CD2 3.99Å; V17-Y59 HydrophobicContact CG2-CE2 3.79Å; V17-Y59 HydrophobicContact CG2-CG 4.5Å; F26-Y59 HydrophobicContact CE2-CD2 4.38Å; F26-Y59 HydrophobicContact CE2-CG 4.32Å; F26-Y59 HydrophobicContact CZ-CD2 4.25Å; D56-Y59 HydrophobicContact CB-CD2 4.48Å; D56-Y59 WeakPolarHBondContact O-CB 3.07Å; D56-Y59 VanDerWaalsContact O-CD2 3.27Å; D56-Y59 WeakPolarHBondContact O-CD2 3.48Å; D56-Y59 PolarHBondContact O-N 2.79Å; M57-Y59 PolarHBondContact O-N 3.02Å
60	F	87.9	Confident	81.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-121.3	-19.2	-172.1	69.3	-90.8	0	0	0	114.4	F26 W28 P52 D56 M57 K62 T63 L64 F87 V139	F26-F60 HydrophobicContact CB-CB 4.04Å; F26-F60 HydrophobicContact CB-CD1 4.47Å; F26-F60 HydrophobicContact CB-CG 4.4Å; F26-F60 AromaticContact CD1-CD1 3.65Å; F26-F60 HydrophobicContact CD1-CD1 3.65Å; F26-F60 HydrophobicContact CD1-CE1 4.13Å; F26-F60 HydrophobicContact CD1-CG 4.36Å; F26-F60 AromaticContact CE1-CD1 3.98Å; F26-F60 HydrophobicContact CE1-CD1 3.98Å; F26-F60 HydrophobicContact CE1-CE1 4.27Å; F26-F60 HydrophobicContact CG-CB 4.2Å; F26-F60 AromaticContact CG-CD1 3.99Å; F26-F60 HydrophobicContact CG-CD1 3.99Å; F26-F60 HydrophobicContact CG-CG 4.37Å; W28-F60 HydrophobicContact CZ3-CB 4.46Å; P52-F60 HydrophobicContact CB-CE1 3.6Å; P52-F60 HydrophobicContact CB-CZ 3.86Å; P52-F60 HydrophobicContact CG-CE1 3.96Å; P52-F60 HydrophobicContact CG-CZ 3.69Å; D56-F60 HydrophobicContact CB-CE1 4.29Å; D56-F60 WeakPolarHBondContact O-CD1 3.4Å; D56-F60 WeakPolarHBondContact O-CE1 3.42Å; M57-F60 HydrophobicContact CG-CZ 4.2Å; M57-F60 PolarHBondContact O-N 3.38Å; M57-F60 HydrophobicContact SD-CE1 4.19Å; M57-F60 HydrophobicContact SD-CE2 3.81Å; M57-F60 HydrophobicContact SD-CZ 3.4Å; M57-F60 WeakPolarHBondContact SD-CZ 3.28Å; F60-K62 VanDerWaalsContact C-N 3.29Å; F60-K62 PolarHBondContact O-N 2.95Å; F60-K62 VanDerWaalsContact O-N 3.14Å; F60-T63 PolarHBondContact O-N 2.87Å; F60-T63 PolarHBondContact O-OG1 3.15Å; F60-L64 HydrophobicContact CD2-CD1 4Å; F60-L64 HydrophobicContact CD2-CD2 4.16Å; F60-L64 HydrophobicContact CD2-CG 4.08Å; F60-L64 HydrophobicContact CE2-CD1 4.03Å; F60-L64 PolarHBondContact O-N 2.64Å; F60-F87 AromaticContact CE2-CE2 3.8Å; F60-F87 HydrophobicContact CE2-CE2 3.8Å; F60-F87 HydrophobicContact CE2-CZ 4.03Å; F60-F87 HydrophobicContact CZ-CE2 4.04Å; F60-V139 HydrophobicContact CD2-CG1 3.98Å; F60-V139 HydrophobicContact CE2-CB 4.39Å; F60-V139 HydrophobicContact CE2-CG1 3.76Å; F60-V139 HydrophobicContact CE2-CG2 4.2Å; F60-V139 HydrophobicContact CZ-CG1 4.09Å
61	Y	87.1	Confident	79	Confident	39 Å²	39	64 Å²	64	15%	0.153	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-55.5	-41.5	-171	174.6	-105.9	0	0	0	113.8	M57 T63 F87 I112 K114 L120	M57-Y61 HydrophobicContact CE-CD2 3.23Å; M57-Y61 HydrophobicContact CE-CE2 3.9Å; M57-Y61 HydrophobicContact CE-CG 3.73Å; M57-Y61 WeakPolarHBondContact O-CB 3.04Å; M57-Y61 PolarHBondContact O-N 2.77Å; M57-Y61 HydrophobicContact SD-CD2 4.3Å; Y61-T63 VanDerWaalsContact C-N 3.32Å; Y61-T63 PolarHBondContact O-N 3.37Å; Y61-F87 HydrophobicContact CD2-CZ 4.21Å; Y61-I112 HydrophobicContact CE2-CG2 4.13Å; Y61-K114 HydrophobicContact CD2-CD 4.44Å; Y61-K114 HydrophobicContact CE2-CB 3.92Å; Y61-K114 HydrophobicContact CE2-CD 3.89Å; Y61-K114 HydrophobicContact CE2-CG 4.07Å; Y61-K114 PolarHBondContact O-NZ 3.03Å; Y61-L120 HydrophobicContact CD2-CD1 4.14Å; Y61-L120 HydrophobicContact CE1-CB 4.47Å; Y61-L120 HydrophobicContact CE1-CD1 4.19Å; Y61-L120 HydrophobicContact CE2-CD1 3.7Å; Y61-L120 HydrophobicContact CE2-CG 4.38Å; Y61-L120 WeakPolarHBondContact OH-CA 3.47Å
62	K	85.4	Confident	76.8	Confident	188 Å²	188	67.6 Å²	67.6	82%	0.817	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-69.8	-27.5	179.5	-72.4	-172.3	176.9	-177.1	0	113.1	F60 K114	F60-K62 VanDerWaalsContact C-N 3.29Å; F60-K62 PolarHBondContact O-N 2.95Å; F60-K62 VanDerWaalsContact O-N 3.14Å; K62-K114 PolarHBondContact O-NZ 3.18Å
63	T	84.7	Confident	74.6	Confident	52 Å²	52	70.5 Å²	70.5	32%	0.319	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-84	-14.2	-178.5	51.2	0	0	0	0	113.6	F60 Y61 Q65	F60-T63 PolarHBondContact O-N 2.87Å; F60-T63 PolarHBondContact O-OG1 3.15Å; Y61-T63 VanDerWaalsContact C-N 3.32Å; Y61-T63 PolarHBondContact O-N 3.37Å; T63-Q65 PolarHBondContact O-N 3.14Å; T63-Q65 VanDerWaalsContact O-N 3.15Å
64	L	84.4	Confident	72.2	Confident	3 Å²	3	67 Å²	67	2%	0.016	34%	0.339	C	S	.	.	S	Bend	trans	-61.7	116.4	171.2	-60.8	-178.6	0	0	0	109.1	W28 F60 F87 K114 L137 V139	W28-L64 HydrophobicContact CB-CD2 4.21Å; W28-L64 HydrophobicContact CD2-CD2 3.62Å; W28-L64 HydrophobicContact CE3-CD2 3.92Å; W28-L64 HydrophobicContact CG-CD2 3.75Å; F60-L64 HydrophobicContact CD2-CD1 4Å; F60-L64 HydrophobicContact CD2-CD2 4.16Å; F60-L64 HydrophobicContact CD2-CG 4.08Å; F60-L64 HydrophobicContact CE2-CD1 4.03Å; F60-L64 PolarHBondContact O-N 2.64Å; L64-F87 HydrophobicContact CD1-CD1 4.05Å; L64-F87 HydrophobicContact CD1-CE1 3.48Å; L64-F87 VanDerWaalsContact CD1-CE1 3.48Å; L64-F87 HydrophobicContact CD1-CZ 3.77Å; L64-K114 HydrophobicContact CB-CD 4.3Å; L64-K114 PolarHBondContact O-NZ 3.32Å; L64-L137 HydrophobicContact CD1-CD2 3.88Å; L64-L137 HydrophobicContact CD2-CD2 3.96Å; L64-L137 HydrophobicContact CG-CD2 4.4Å; L64-V139 HydrophobicContact CD2-CG2 4.42Å
65	Q	78.4	Confident	69.8	Low	116 Å²	116	73.1 Å²	73.1	54%	0.542	36%	0.361	S	S	.	.			trans	-77.9	128.8	175.1	-76.5	173	19.2	0	0	108.8	R30 T63	R30-Q65 PolarHBondContact NH2-O 2.98Å; T63-Q65 PolarHBondContact O-N 3.14Å; T63-Q65 VanDerWaalsContact O-N 3.15Å
66	S	69.3	Low	67.8	Low	6 Å²	6	74 Å²	74	4%	0.042	37%	0.37	C	S	.	.			trans	-107.4	-12.2	-178.8	44.8	0	0	0	0	113.4	D68	S66-D68 VanDerWaalsContact C-N 3.33Å; S66-D68 PolarHBondContact O-N 2.85Å
67	D	60.6	Low	65.5	Low	109 Å²	109	77 Å²	77	58%	0.583	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.6	-156.1	-56.9	-15.6	0	0	0	112.9
68	D	54.5	Low	63.2	Low	130 Å²	130	85 Å²	85	70%	0.695	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	9	-171.7	-60.3	-37.7	0	0	0	115.4	S66	S66-D68 VanDerWaalsContact C-N 3.33Å; S66-D68 PolarHBondContact O-N 2.85Å
69	I	55	Low	60.9	Low	7 Å²	7	84.7 Å²	84.7	4%	0.036	44%	0.442	C	S	.	.			trans	-103.4	114.7	-179.3	-49.6	-172.3	0	0	0	111.3	R30 S71 S83 G84 V85	R30-I69 VanDerWaalsContact CD-CD1 3.48Å; R30-I69 HydrophobicContact CG-CD1 3.6Å; I69-S71 PolarHBondContact O-N 3.46Å; I69-S83 CarbonylContact O-C 3.55Å; I69-S83 WeakPolarHBondContact O-CA 3.34Å; I69-S83 WeakPolarHBondContact O-CB 3.27Å; I69-G84 PolarHBondContact O-N 3.03Å; I69-V85 HydrophobicContact CD1-CG1 3.28Å; I69-V85 HydrophobicContact CG1-CG1 4.3Å
70	I	48.2	Very low	58.7	Low	128 Å²	128	89.6 Å²	89.6	66%	0.656	46%	0.464	S	S	*	.	B	Isolated β-bridge	trans	-74.8	102.3	159.2	-56.4	171.4	0	0	0	106.5	S72 T81	I70-S72 PolarHBondContact O-N 3.2Å; I70-S72 VanDerWaalsContact O-N 3.12Å; I70-T81 HydrophobicContact CG2-CG2 4.4Å
71	S	45.5	Very low	56.6	Low	10 Å²	10	94.4 Å²	94.4	7%	0.07	49%	0.493	C	S	.	.			trans	-66.2	115.9	174.7	-169.7	0	0	0	0	108.8	I69 I73 H82	I69-S71 PolarHBondContact O-N 3.46Å; S71-I73 PolarHBondContact O-N 3.49Å; S71-I73 VanDerWaalsContact OG-CB 3.31Å; S71-I73 WeakPolarHBondContact OG-CB 3.2Å; S71-I73 WeakPolarHBondContact OG-CD1 3.48Å; S71-I73 WeakPolarHBondContact OG-CG1 3.45Å; S71-I73 PolarHBondContact OG-N 2.96Å; S71-H82 WeakPolarHBondContact CB-O 3.05Å; S71-H82 PolarHBondContact N-O 2.95Å
72	S	47.2	Very low	54.9	Low	91 Å²	91	95.6 Å²	95.6	64%	0.636	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	1	170.2	69.9	0	0	0	0	112.5	I70 S74	I70-S72 PolarHBondContact O-N 3.2Å; I70-S72 VanDerWaalsContact O-N 3.12Å; S72-S74 PolarHBondContact O-N 2.84Å
73	I	48.3	Very low	53.9	Low	61 Å²	61	88.8 Å²	88.8	31%	0.313	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.3	-176.7	-61.8	163.7	0	0	0	110.7	S71 K75 V86 H134 N136	S71-I73 PolarHBondContact O-N 3.49Å; S71-I73 VanDerWaalsContact OG-CB 3.31Å; S71-I73 WeakPolarHBondContact OG-CB 3.2Å; S71-I73 WeakPolarHBondContact OG-CD1 3.48Å; S71-I73 WeakPolarHBondContact OG-CG1 3.45Å; S71-I73 PolarHBondContact OG-N 2.96Å; I73-K75 PolarHBondContact O-N 2.79Å; I73-V86 HydrophobicContact CD1-CB 4.23Å; I73-V86 HydrophobicContact CD1-CG2 4.25Å; I73-H134 HydrophobicContact CD1-CB 4.48Å; I73-H134 VanDerWaalsContact CD1-O 3.31Å; I73-H134 WeakPolarHBondContact CD1-O 3.49Å; I73-H134 HydrophobicContact CG1-CB 4.26Å; I73-H134 HydrophobicContact CG2-CB 4.42Å; I73-N136 HydrophobicContact CD1-CB 3.99Å
74	S	42.1	Very low	53.6	Low	32 Å²	32	86.4 Å²	86.4	22%	0.224	46%	0.462	C	S	.	.			trans	-92	59.9	172.9	63.6	0	0	0	0	113.3	S72 T76 K80	S72-S74 PolarHBondContact O-N 2.84Å; S74-T76 VanDerWaalsContact C-N 3.33Å; S74-K80 PolarHBondContact OG-O 3.42Å
75	K	41.4	Very low	53.8	Low	196 Å²	196	86.3 Å²	86.3	85%	0.852	46%	0.461	S	S	*	.	S	Bend	trans	-85.8	-5.9	157.7	-81	-169	178.2	-177.9	0	113.4	I73	I73-K75 PolarHBondContact O-N 2.79Å
76	T	46.6	Very low	54.3	Low	140 Å²	140	81.1 Å²	81.1	86%	0.859	44%	0.437	S	S	*	.	S	Bend	trans	-105.5	0.4	-173.8	-27.5	0	0	0	0	114.3	S74	S74-T76 VanDerWaalsContact C-N 3.33Å
77	S	42.1	Very low	55.4	Low	72 Å²	72	80.8 Å²	80.8	50%	0.503	44%	0.435	S	S	.	.	S	Bend	trans	-136.4	113.8	174.1	-179.2	0	0	0	0	109.2	N79	S77-N79 PolarHBondContact O-N 3.23Å
78	E	40.7	Very low	57.1	Low	183 Å²	183	75.8 Å²	75.8	86%	0.855	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	6.6	99.1	161.3	-62.4	177.7	167.4	0	0	116	K80	E78-K80 PolarHBondContact O-N 3.1Å
79	N	40.5	Very low	59	Low	180 Å²	180	69.7 Å²	69.7	96%	0.963	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	15.1	154.1	-98.7	0.1	0	0	0	119.9	S77	S77-N79 PolarHBondContact O-N 3.23Å
80	K	42.6	Very low	60.8	Low	138 Å²	138	70.5 Å²	70.5	60%	0.6	39%	0.386	S	S	*	.			trans	-105.3	102.6	177.2	-151.8	164.1	-178.7	-178.9	0	108.6	S74 E78 H82	S74-K80 PolarHBondContact OG-O 3.42Å; E78-K80 PolarHBondContact O-N 3.1Å; K80-H82 PolarHBondContact O-CD2 2.89Å; K80-H82 VanDerWaalsContact O-CD2 3.29Å; K80-H82 PolarHBondContact O-N 2.97Å
81	T	43.6	Very low	62.8	Low	102 Å²	102	66.6 Å²	66.6	63%	0.626	37%	0.366	S	S	*	.			trans	-62.6	90.4	164.6	49.3	0	0	0	0	107.1	I70 S83	I70-T81 HydrophobicContact CG2-CG2 4.4Å; T81-S83 PolarHBondContact O-N 3.27Å; T81-S83 VanDerWaalsContact O-N 3.1Å
82	H	52.7	Low	64.9	Low	64 Å²	64	68.2 Å²	68.2	30%	0.296	38%	0.376	S	S	.	.			trans	-74.6	102.3	176.4	-79.6	-79.6	0	0	0	107.4	S71 K80 G84	S71-H82 WeakPolarHBondContact CB-O 3.05Å; S71-H82 PolarHBondContact N-O 2.95Å; K80-H82 PolarHBondContact O-CD2 2.89Å; K80-H82 VanDerWaalsContact O-CD2 3.29Å; K80-H82 PolarHBondContact O-N 2.97Å; H82-G84 PolarHBondContact O-N 3.3Å
83	S	62.8	Low	66.9	Low	45 Å²	45	68.4 Å²	68.4	32%	0.315	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-76.2	119.1	172.1	-58.9	0	0	0	0	109.2	I69 T81 P116	I69-S83 CarbonylContact O-C 3.55Å; I69-S83 WeakPolarHBondContact O-CA 3.34Å; I69-S83 WeakPolarHBondContact O-CB 3.27Å; T81-S83 PolarHBondContact O-N 3.27Å; T81-S83 VanDerWaalsContact O-N 3.1Å; S83-P116 WeakPolarHBondContact O-CD 3.3Å
84	G	80	Confident	68.8	Low	2 Å²	2	69.3 Å²	69.3	2%	0.021	37%	0.372	C	S	.	.			trans	176.3	160.7	-177	0	0	0	0	0	114.1	I69 H82 K114 N136	I69-G84 PolarHBondContact O-N 3.03Å; H82-G84 PolarHBondContact O-N 3.3Å; G84-K114 CarbonylContact C-O 3.59Å; G84-K114 WeakPolarHBondContact CA-O 3.39Å; G84-N136 PolarHBondContact O-ND2 3.42Å
85	V	87.5	Confident	70.7	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136	172.2	-68.3	0	0	0	0	110	I69 E113 K114 N136 L137	I69-V85 HydrophobicContact CD1-CG1 3.28Å; I69-V85 HydrophobicContact CG1-CG1 4.3Å; V85-E113 WeakPolarHBondContact O-CA 3.45Å; V85-K114 HydrophobicContact CG2-CB 3.65Å; V85-K114 HydrophobicContact CG2-CD 4.17Å; V85-K114 HydrophobicContact CG2-CG 4.29Å; V85-K114 PolarHBondContact N-O 3.48Å; V85-K114 PolarHBondContact O-N 3.2Å; V85-N136 WeakPolarHBondContact CA-OD1 3.28Å; V85-L137 HydrophobicContact CB-CB 4.21Å; V85-L137 HydrophobicContact CB-CD2 3.99Å; V85-L137 HydrophobicContact CG1-CB 4.41Å; V85-L137 HydrophobicContact CG1-CD2 4.23Å; V85-L137 HydrophobicContact CG2-CD2 4.22Å
86	V	90	Very high	72.7	Confident	7 Å²	7	65 Å²	65	4%	0.042	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.1	175	-178.7	0	0	0	0	107.9	I73 T111 I112 E113 A123 A135 N136 L137	I73-V86 HydrophobicContact CD1-CB 4.23Å; I73-V86 HydrophobicContact CD1-CG2 4.25Å; V86-T111 HydrophobicContact CG1-CG2 3.42Å; V86-T111 VanDerWaalsContact CG1-CG2 3.42Å; V86-I112 VanDerWaalsContact CA-O 3.28Å; V86-I112 WeakPolarHBondContact CA-O 3.28Å; V86-E113 HydrophobicContact CG2-CB 4.27Å; V86-E113 HydrophobicContact CG2-CG 4.1Å; V86-A123 HydrophobicContact CG1-CB 3.68Å; V86-A123 HydrophobicContact CG2-CB 4.47Å; V86-A135 HydrophobicContact CG1-CB 4.19Å; V86-A135 VanDerWaalsContact O-CB 3.3Å; V86-A135 WeakPolarHBondContact O-CB 3.4Å; V86-N136 PolarHBondContact N-OD1 3.08Å; V86-N136 PolarHBondContact O-N 2.96Å; V86-N136 PolarHBondContact O-OD1 3.46Å; V86-L137 PolarHBondContact O-N 3.21Å; V86-L137 VanDerWaalsContact O-N 3.09Å
87	F	92.1	Very high	74.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	157.9	-179.4	64.2	-84	0	0	0	112.3	M57 F60 Y61 L64 L89 T111 I112 L137 V139	M57-F87 HydrophobicContact CE-CE2 4.3Å; M57-F87 HydrophobicContact CE-CZ 3.75Å; M57-F87 HydrophobicContact SD-CE2 3.54Å; M57-F87 VanDerWaalsContact SD-CE2 3.54Å; M57-F87 HydrophobicContact SD-CZ 3.52Å; M57-F87 VanDerWaalsContact SD-CZ 3.52Å; F60-F87 AromaticContact CE2-CE2 3.8Å; F60-F87 HydrophobicContact CE2-CE2 3.8Å; F60-F87 HydrophobicContact CE2-CZ 4.03Å; F60-F87 HydrophobicContact CZ-CE2 4.04Å; Y61-F87 HydrophobicContact CD2-CZ 4.21Å; L64-F87 HydrophobicContact CD1-CD1 4.05Å; L64-F87 HydrophobicContact CD1-CE1 3.48Å; L64-F87 VanDerWaalsContact CD1-CE1 3.48Å; L64-F87 HydrophobicContact CD1-CZ 3.77Å; F87-L89 HydrophobicContact CD2-CD2 4.36Å; F87-L89 HydrophobicContact CE2-CD2 3.84Å; F87-T111 WeakPolarHBondContact O-CA 3.3Å; F87-I112 HydrophobicContact CD1-CB 4.48Å; F87-I112 HydrophobicContact CE1-CB 3.98Å; F87-I112 HydrophobicContact CE1-CG2 4.06Å; F87-I112 HydrophobicContact CE2-CB 4.23Å; F87-I112 HydrophobicContact CE2-CG1 4.37Å; F87-I112 HydrophobicContact CZ-CB 3.85Å; F87-I112 HydrophobicContact CZ-CG1 4.32Å; F87-I112 HydrophobicContact CZ-CG2 4.04Å; F87-I112 PolarHBondContact N-O 2.8Å; F87-I112 VanDerWaalsContact N-O 3.09Å; F87-I112 PolarHBondContact O-N 2.93Å; F87-L137 HydrophobicContact CB-CB 4.14Å; F87-L137 HydrophobicContact CB-CD2 4.2Å; F87-L137 HydrophobicContact CB-CG 4.42Å; F87-L137 WeakPolarHBondContact CB-O 3.17Å; F87-L137 HydrophobicContact CD1-CD2 3.96Å; F87-L137 HydrophobicContact CG-CD2 4.26Å; F87-V139 HydrophobicContact CB-CG2 4.14Å; F87-V139 HydrophobicContact CD2-CB 4.48Å; F87-V139 HydrophobicContact CD2-CG2 3.88Å; F87-V139 HydrophobicContact CE2-CG2 4.45Å; F87-V139 HydrophobicContact CG-CG2 3.99Å
88	Y	95	Very high	76.4	Confident	3 Å²	3	69 Å²	69	1%	0.012	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	149	178.7	-74.5	-71.1	0	0	0	112.8	I34 S36 W37 A40 C109 T111 C131 T133 A135	I34-Y88 HydrophobicContact CG2-CD2 4.05Å; I34-Y88 HydrophobicContact CG2-CE2 3.79Å; S36-Y88 WeakPolarHBondContact CA-OH 3.2Å; W37-Y88 HydrophobicContact CB-CD1 3.97Å; W37-Y88 HydrophobicContact CB-CE1 3.77Å; W37-Y88 HydrophobicContact CB-CG 4.41Å; W37-Y88 AromaticContact CD1-CD1 3.64Å; W37-Y88 AromaticContact CD1-CG 3.97Å; W37-Y88 HydrophobicContact CG-CD1 4.22Å; W37-Y88 HydrophobicContact CG-CE1 4.48Å; W37-Y88 VanDerWaalsContact N-CZ 3.32Å; W37-Y88 PolarHBondContact N-OH 3.29Å; A40-Y88 HydrophobicContact CB-CD2 3.76Å; A40-Y88 HydrophobicContact CB-CG 4.33Å; Y88-C109 HydrophobicContact CE1-CB 4.44Å; Y88-T111 HydrophobicContact CD1-CG2 4.25Å; Y88-T111 VanDerWaalsContact CD1-OG1 3.29Å; Y88-T111 WeakPolarHBondContact CD1-OG1 3.49Å; Y88-T111 HydrophobicContact CE1-CG2 4.25Å; Y88-T111 WeakPolarHBondContact CE1-OG1 3.49Å; Y88-C131 PolarHBondContact OH-O 2.97Å; Y88-T133 VanDerWaalsContact CZ-O 3.23Å; Y88-T133 PolarHBondContact OH-N 3.45Å; Y88-T133 PolarHBondContact OH-O 3.29Å; Y88-A135 HydrophobicContact CD2-CB 3.9Å; Y88-A135 HydrophobicContact CE2-CB 3.87Å
89	L	94.6	Very high	78.3	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.01	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	158.9	165.5	-59.9	177.5	0	0	0	110.8	W37 P52 V54 M57 F87 D91 L110 I112	W37-L89 PolarHBondContact NE1-O 2.97Å; P52-L89 HydrophobicContact CG-CD2 4.33Å; P52-L89 CarbonylContact O-C 3.59Å; P52-L89 WeakPolarHBondContact O-CA 3.2Å; V54-L89 HydrophobicContact CB-CD1 4.32Å; V54-L89 HydrophobicContact CG2-CD1 3.55Å; M57-L89 HydrophobicContact CG-CD1 4.2Å; M57-L89 HydrophobicContact CG-CD2 3.81Å; M57-L89 HydrophobicContact SD-CD2 3.72Å; F87-L89 HydrophobicContact CD2-CD2 4.36Å; F87-L89 HydrophobicContact CE2-CD2 3.84Å; L89-D91 VanDerWaalsContact C-N 3.29Å; L89-D91 PolarHBondContact O-N 3.09Å; L89-L110 HydrophobicContact CB-CB 4.17Å; L89-L110 HydrophobicContact CD1-CB 4.17Å; L89-L110 PolarHBondContact N-O 3.32Å; L89-I112 HydrophobicContact CD1-CD1 4Å; L89-I112 HydrophobicContact CD1-CG1 3.75Å; L89-I112 HydrophobicContact CG-CG1 4.03Å
90	G	92.9	Very high	80.4	Confident	24 Å²	24	62.6 Å²	62.6	25%	0.247	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-12	177.7	0	0	0	0	0	114.4	P52	P52-G90 PolarHBondContact O-N 2.72Å
91	D	91.5	Very high	82.2	Confident	46 Å²	46	59.3 Å²	59.3	25%	0.246	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134.4	175.9	-55.8	-91.8	0	0	0	111.1	K53 V54 L89 L110	K53-D91 VanDerWaalsContact C-OD2 3.26Å; K53-D91 WeakPolarHBondContact CA-OD2 3.41Å; K53-D91 WeakPolarHBondContact CB-OD2 3.32Å; V54-D91 HydrophobicContact CG2-CB 4.07Å; V54-D91 WeakPolarHBondContact CG2-OD2 3.3Å; V54-D91 PolarHBondContact N-OD2 2.74Å; L89-D91 VanDerWaalsContact C-N 3.29Å; L89-D91 PolarHBondContact O-N 3.09Å; D91-L110 HydrophobicContact CB-CD1 4.03Å
92	V	89.2	Confident	84	Confident	44 Å²	44	56.3 Å²	56.3	27%	0.267	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.2	175.4	-178.9	0	0	0	0	107.2	W37 R107 M108	W37-V92 HydrophobicContact CD2-CG2 4.34Å; W37-V92 HydrophobicContact CH2-CG2 4.07Å; W37-V92 HydrophobicContact CZ2-CG2 3.59Å; V92-R107 HydrophobicContact CG1-CB 3.87Å; V92-R107 HydrophobicContact CG1-CG 4.16Å; V92-M108 WeakPolarHBondContact CA-O 3.31Å
93	L	88.4	Confident	85.3	Confident	96 Å²	96	61.4 Å²	61.4	50%	0.503	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.8	174.9	-57.8	176.1	0	0	0	108.6	M108 L110	L93-M108 HydrophobicContact CB-CB 4.21Å; L93-M108 HydrophobicContact CD1-SD 3.96Å; L93-M108 PolarHBondContact N-O 2.74Å; L93-M108 PolarHBondContact O-N 2.64Å; L93-L110 HydrophobicContact CD1-CD2 4.15Å
94	E	87.6	Confident	86.1	Confident	79 Å²	79	61.8 Å²	61.8	37%	0.369	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.9	177.1	-54.4	-165.9	134.9	0	0	109.8	P100 R107	E94-P100 HydrophobicContact CG-CB 4.45Å; E94-P100 WeakPolarHBondContact OE1-CB 3.37Å; E94-R107 HydrophobicContact CG-CG 4.29Å; E94-R107 IonicContact OE1-CZ 3.2Å; E94-R107 IonicContact OE1-NE 3.78Å; E94-R107 PolarHBondContact OE1-NE 2.93Å; E94-R107 IonicContact OE1-NH2 3.69Å; E94-R107 PolarHBondContact OE1-NH2 2.9Å
95	A	82.9	Confident	86.1	Confident	85 Å²	85	62.3 Å²	62.3	70%	0.702	34%	0.339	S	S	*	.	S	Bend	trans	-81.6	-28.3	178.3	0	0	0	0	0	112.4	E106	A95-E106 WeakPolarHBondContact CB-O 3.36Å; A95-E106 PolarHBondContact N-O 3.16Å
96	T	83.6	Confident	85.9	Confident	53 Å²	53	65.2 Å²	65.2	33%	0.325	35%	0.352	S	S	.	.			trans	-132.1	136.7	178.6	59.9	0	0	0	0	109.4	Y99	T96-Y99 PolarHBondContact OG1-O 3.2Å; T96-Y99 VanDerWaalsContact OG1-O 3.11Å
97	M	80.1	Confident	85.7	Confident	149 Å²	149	68.4 Å²	68.4	73%	0.734	36%	0.364	S	S	*	.	S	Bend	trans	-84	-26.7	177.3	-66.4	-57.9	-50.1	0	0	112.4
98	D	85.2	Confident	85.6	Confident	148 Å²	148	71.7 Å²	71.7	79%	0.791	38%	0.38	S	S	*	.	S	Bend	trans	-81.5	-30.6	-170.8	-59.9	-38.8	0	0	0	112.7
99	Y	82.3	Confident	85.3	Confident	189 Å²	189	71.7 Å²	71.7	74%	0.741	38%	0.38	S	S	*	.			trans	-150.4	78.5	-176.8	-95.5	-93.2	0	0	0	111.3	T96 N101	T96-Y99 PolarHBondContact OG1-O 3.2Å; T96-Y99 VanDerWaalsContact OG1-O 3.11Å; Y99-N101 PolarHBondContact O-N 3.32Å
100	P	83.1	Confident	85.2	Confident	39 Å²	39	72.9 Å²	72.9	25%	0.253	39%	0.386	S	S	.	.			trans	-85.6	114.8	179.3	34	-36	0	0	0	111.2	E94 R107	E94-P100 HydrophobicContact CG-CB 4.45Å; E94-P100 WeakPolarHBondContact OE1-CB 3.37Å; P100-R107 HydrophobicContact CB-CG 4.02Å; P100-R107 VanDerWaalsContact CG-NH2 3.27Å
101	N	82	Confident	85.1	Confident	69 Å²	69	71.9 Å²	71.9	37%	0.369	38%	0.375	S	S	.	.			trans	-122.2	136.9	175.5	-179.8	2.6	0	0	0	112.4	Y99 E103 S104 E106 R107	Y99-N101 PolarHBondContact O-N 3.32Å; N101-E103 WeakPolarHBondContact OD1-CB 3.26Å; N101-E103 PolarHBondContact OD1-N 3.4Å; N101-S104 VanDerWaalsContact CB-OG 3.26Å; N101-S104 WeakPolarHBondContact CB-OG 3.47Å; N101-S104 PolarHBondContact O-OG 3.24Å; N101-E106 WeakPolarHBondContact CB-OE2 3.34Å; N101-E106 PolarHBondContact N-OE2 3.09Å; N101-E106 PolarHBondContact O-N 3.39Å; N101-E106 VanDerWaalsContact O-N 3.07Å; N101-R107 PolarHBondContact O-N 3.21Å
102	I	80.1	Confident	85.1	Confident	38 Å²	38	70.1 Å²	70.1	20%	0.195	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-39.7	177.9	-61.5	176.8	0	0	0	110.5	V38 G105 R107 C131	V38-I102 HydrophobicContact CG2-CD1 3.77Å; I102-G105 PolarHBondContact O-N 3.31Å; I102-R107 HydrophobicContact CG1-CB 4.31Å; I102-C131 HydrophobicContact CG2-CB 3.52Å
103	E	79.6	Confident	85.1	Confident	171 Å²	171	70.3 Å²	70.3	80%	0.799	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-32.9	-177.6	-60.4	-179	170	0	0	112.4	N101 G105	N101-E103 WeakPolarHBondContact OD1-CB 3.26Å; N101-E103 PolarHBondContact OD1-N 3.4Å; E103-G105 VanDerWaalsContact C-N 3.29Å
104	S	80.8	Confident	85	Confident	53 Å²	53	66.9 Å²	66.9	37%	0.371	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-16	175.7	63.4	0	0	0	0	113	N101 E106	N101-S104 VanDerWaalsContact CB-OG 3.26Å; N101-S104 WeakPolarHBondContact CB-OG 3.47Å; N101-S104 PolarHBondContact O-OG 3.24Å; S104-E106 VanDerWaalsContact C-N 3.34Å; S104-E106 VanDerWaalsContact OG-CD 3.24Å; S104-E106 VanDerWaalsContact OG-CG 3.28Å; S104-E106 WeakPolarHBondContact OG-CG 3.44Å; S104-E106 PolarHBondContact OG-N 3.04Å; S104-E106 PolarHBondContact OG-OE2 2.79Å
105	G	78.8	Confident	84.9	Confident	13 Å²	13	64.9 Å²	64.9	13%	0.134	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	14.1	-172.6	0	0	0	0	0	114.7	I102 E103 R107	I102-G105 PolarHBondContact O-N 3.31Å; E103-G105 VanDerWaalsContact C-N 3.29Å; G105-R107 PolarHBondContact O-N 3.48Å
106	E	84.1	Confident	84.8	Confident	61 Å²	61	63.3 Å²	63.3	29%	0.285	32%	0.321	S	S	.	.			trans	-71.5	-13.7	173.5	-71.4	163.7	142.2	0	0	112.2	A95 N101 S104	A95-E106 WeakPolarHBondContact CB-O 3.36Å; A95-E106 PolarHBondContact N-O 3.16Å; N101-E106 WeakPolarHBondContact CB-OE2 3.34Å; N101-E106 PolarHBondContact N-OE2 3.09Å; N101-E106 PolarHBondContact O-N 3.39Å; N101-E106 VanDerWaalsContact O-N 3.07Å; S104-E106 VanDerWaalsContact C-N 3.34Å; S104-E106 VanDerWaalsContact OG-CD 3.24Å; S104-E106 VanDerWaalsContact OG-CG 3.28Å; S104-E106 WeakPolarHBondContact OG-CG 3.44Å; S104-E106 PolarHBondContact OG-N 3.04Å; S104-E106 PolarHBondContact OG-OE2 2.79Å
107	R	85.8	Confident	84.5	Confident	75 Å²	75	65.3 Å²	65.3	28%	0.283	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.7	170.7	-70.8	179.6	159	153.8	7	110.6	V92 E94 P100 N101 I102 G105	V92-R107 HydrophobicContact CG1-CB 3.87Å; V92-R107 HydrophobicContact CG1-CG 4.16Å; E94-R107 HydrophobicContact CG-CG 4.29Å; E94-R107 IonicContact OE1-CZ 3.2Å; E94-R107 IonicContact OE1-NE 3.78Å; E94-R107 PolarHBondContact OE1-NE 2.93Å; E94-R107 IonicContact OE1-NH2 3.69Å; E94-R107 PolarHBondContact OE1-NH2 2.9Å; P100-R107 HydrophobicContact CB-CG 4.02Å; P100-R107 VanDerWaalsContact CG-NH2 3.27Å; N101-R107 PolarHBondContact O-N 3.21Å; I102-R107 HydrophobicContact CG1-CB 4.31Å; G105-R107 PolarHBondContact O-N 3.48Å
108	M	89	Confident	84.5	Confident	69 Å²	69	60.3 Å²	60.3	34%	0.34	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114.8	171.6	177.5	-168.2	-64.2	0	0	110.1	V92 L93 A127 S130	V92-M108 WeakPolarHBondContact CA-O 3.31Å; L93-M108 HydrophobicContact CB-CB 4.21Å; L93-M108 HydrophobicContact CD1-SD 3.96Å; L93-M108 PolarHBondContact N-O 2.74Å; L93-M108 PolarHBondContact O-N 2.64Å; M108-A127 HydrophobicContact CB-CB 4.36Å; M108-A127 HydrophobicContact CE-CB 3.39Å; M108-S130 VanDerWaalsContact CA-OG 3.3Å; M108-S130 WeakPolarHBondContact CA-OG 3.46Å
109	C	90.3	Very high	84.4	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.02	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.9	174.9	-60.8	0	0	0	0	110.3	W37 Y88 T111 S130 C131	W37-C109 HydrophobicContact CB-CB 3.99Å; W37-C109 VanDerWaalsContact CB-SG 3.52Å; W37-C109 HydrophobicContact CG-CB 3.94Å; Y88-C109 HydrophobicContact CE1-CB 4.44Å; C109-T111 PolarHBondContact O-N 3.28Å; C109-S130 PolarHBondContact N-OG 3.23Å; C109-S130 VanDerWaalsContact O-CB 3.3Å; C109-S130 WeakPolarHBondContact O-CB 3.18Å; C109-C131 HydrophobicContact CB-CB 3.86Å; C109-C131 WeakPolarHBondContact CB-SG 3.36Å; C109-C131 PolarHBondContact N-SG 2.84Å; C109-C131 VanDerWaalsContact N-SG 3.35Å; C109-C131 VanDerWaalsContact SG-CA 3.53Å; C109-C131 WeakPolarHBondContact SG-CB 3.31Å; C109-C131 CovalentContact SG-SG 2.04Å; C109-C131 PolarHBondContact SG-SG 3.16Å
110	L	91.3	Very high	84.4	Confident	26 Å²	26	56 Å²	56	14%	0.136	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	115.8	-179.9	-60	-177.2	0	0	0	110.9	V54 L89 D91 L93	V54-L110 HydrophobicContact CG2-CD1 3.34Å; L89-L110 HydrophobicContact CB-CB 4.17Å; L89-L110 HydrophobicContact CD1-CB 4.17Å; L89-L110 PolarHBondContact N-O 3.32Å; D91-L110 HydrophobicContact CB-CD1 4.03Å; L93-L110 HydrophobicContact CD1-CD2 4.15Å
111	T	90.8	Very high	84.4	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.6	177.1	-46.2	0	0	0	0	109	V86 F87 Y88 C109 L122 A123 S130 T133	V86-T111 HydrophobicContact CG1-CG2 3.42Å; V86-T111 VanDerWaalsContact CG1-CG2 3.42Å; F87-T111 WeakPolarHBondContact O-CA 3.3Å; Y88-T111 HydrophobicContact CD1-CG2 4.25Å; Y88-T111 VanDerWaalsContact CD1-OG1 3.29Å; Y88-T111 WeakPolarHBondContact CD1-OG1 3.49Å; Y88-T111 HydrophobicContact CE1-CG2 4.25Å; Y88-T111 WeakPolarHBondContact CE1-OG1 3.49Å; C109-T111 PolarHBondContact O-N 3.28Å; T111-L122 WeakPolarHBondContact O-CA 3.31Å; T111-A123 HydrophobicContact CG2-CB 3.68Å; T111-A123 PolarHBondContact O-N 2.76Å; T111-S130 PolarHBondContact OG1-O 3.35Å; T111-T133 HydrophobicContact CG2-CG2 4.35Å
112	I	91.2	Very high	84.5	Confident	9 Å²	9	59.9 Å²	59.9	5%	0.046	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.9	-177.5	-54.6	-54.4	0	0	0	109.6	M57 Y61 V86 F87 L89 L120 L122	M57-I112 HydrophobicContact CE-CB 4.49Å; M57-I112 HydrophobicContact CE-CG1 4.07Å; M57-I112 HydrophobicContact CE-CG2 4.04Å; Y61-I112 HydrophobicContact CE2-CG2 4.13Å; V86-I112 VanDerWaalsContact CA-O 3.28Å; V86-I112 WeakPolarHBondContact CA-O 3.28Å; F87-I112 HydrophobicContact CD1-CB 4.48Å; F87-I112 HydrophobicContact CE1-CB 3.98Å; F87-I112 HydrophobicContact CE1-CG2 4.06Å; F87-I112 HydrophobicContact CE2-CB 4.23Å; F87-I112 HydrophobicContact CE2-CG1 4.37Å; F87-I112 HydrophobicContact CZ-CB 3.85Å; F87-I112 HydrophobicContact CZ-CG1 4.32Å; F87-I112 HydrophobicContact CZ-CG2 4.04Å; F87-I112 PolarHBondContact N-O 2.8Å; F87-I112 VanDerWaalsContact N-O 3.09Å; F87-I112 PolarHBondContact O-N 2.93Å; L89-I112 HydrophobicContact CD1-CD1 4Å; L89-I112 HydrophobicContact CD1-CG1 3.75Å; L89-I112 HydrophobicContact CG-CG1 4.03Å; I112-L120 HydrophobicContact CD1-CD2 4.38Å; I112-L120 HydrophobicContact CG2-CD1 3.84Å; I112-L120 HydrophobicContact CG2-CG 3.88Å; I112-L122 HydrophobicContact CD1-CD2 3.89Å
113	E	89.7	Confident	84.6	Confident	49 Å²	49	59.5 Å²	59.5	23%	0.229	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.2	168.6	-177	179.7	-155.8	0	0	109.5	V85 V86 V115 H121 A123	V85-E113 WeakPolarHBondContact O-CA 3.45Å; V86-E113 HydrophobicContact CG2-CB 4.27Å; V86-E113 HydrophobicContact CG2-CG 4.1Å; E113-V115 HydrophobicContact CG-CG2 3.97Å; E113-H121 HydrophobicContact CB-CB 4.3Å; E113-H121 PolarHBondContact N-O 3.36Å; E113-H121 PolarHBondContact O-N 2.76Å; E113-H121 VanDerWaalsContact O-N 3.15Å; E113-A123 HydrophobicContact CB-CB 3.83Å
114	K	87.2	Confident	84.5	Confident	23 Å²	23	54 Å²	54	10%	0.1	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.6	172	178.6	-177.6	-177.6	176.4	0	109.3	Y61 K62 L64 G84 V85	Y61-K114 HydrophobicContact CD2-CD 4.44Å; Y61-K114 HydrophobicContact CE2-CB 3.92Å; Y61-K114 HydrophobicContact CE2-CD 3.89Å; Y61-K114 HydrophobicContact CE2-CG 4.07Å; Y61-K114 PolarHBondContact O-NZ 3.03Å; K62-K114 PolarHBondContact O-NZ 3.18Å; L64-K114 HydrophobicContact CB-CD 4.3Å; L64-K114 PolarHBondContact O-NZ 3.32Å; G84-K114 CarbonylContact C-O 3.59Å; G84-K114 WeakPolarHBondContact CA-O 3.39Å; V85-K114 HydrophobicContact CG2-CB 3.65Å; V85-K114 HydrophobicContact CG2-CD 4.17Å; V85-K114 HydrophobicContact CG2-CG 4.29Å; V85-K114 PolarHBondContact N-O 3.48Å; V85-K114 PolarHBondContact O-N 3.2Å
115	V	84.6	Confident	84.1	Confident	38 Å²	38	57.5 Å²	57.5	23%	0.23	33%	0.332	C	S	.	.			trans	-104.9	141.1	173.7	179.2	0	0	0	0	108.7	E113 G117 S118	E113-V115 HydrophobicContact CG-CG2 3.97Å; V115-G117 PolarHBondContact O-N 3.48Å; V115-S118 WeakPolarHBondContact CB-OG 3.32Å; V115-S118 PolarHBondContact O-N 3.29Å; V115-S118 PolarHBondContact O-OG 3.31Å; V115-S118 VanDerWaalsContact O-OG 3.08Å
116	P	80.4	Confident	84.2	Confident	51 Å²	51	59 Å²	59	33%	0.331	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	131.1	175.7	-24.4	33	0	0	0	111.9	S83 S118	S83-P116 WeakPolarHBondContact O-CD 3.3Å; P116-S118 PolarHBondContact O-N 2.79Å; P116-S118 VanDerWaalsContact O-N 3.16Å
117	G	78.9	Confident	83.8	Confident	95 Å²	95	57.7 Å²	57.7	98%	0.979	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	1.6	178.2	0	0	0	0	0	115.8	V115	V115-G117 PolarHBondContact O-N 3.48Å
118	S	79.9	Confident	83.6	Confident	44 Å²	44	57.9 Å²	57.9	31%	0.308	35%	0.349	S	S	.	.	S	Bend	trans	-97.7	167.2	176	83.3	0	0	0	0	112.3	V115 P116 H121	V115-S118 WeakPolarHBondContact CB-OG 3.32Å; V115-S118 PolarHBondContact O-N 3.29Å; V115-S118 PolarHBondContact O-OG 3.31Å; V115-S118 VanDerWaalsContact O-OG 3.08Å; P116-S118 PolarHBondContact O-N 2.79Å; P116-S118 VanDerWaalsContact O-N 3.16Å; S118-H121 PolarHBondContact OG-CD2 3.46Å
119	Q	82.3	Confident	83.3	Confident	161 Å²	161	60.9 Å²	60.9	75%	0.752	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-72.8	169.1	165.7	-65.5	-176.2	-0.3	0	0	110.4	H121	Q119-H121 PolarHBondContact O-CD2 3.12Å; Q119-H121 PolarHBondContact O-N 2.85Å; Q119-H121 PolarHBondContact O-NE2 2.92Å
120	L	81.9	Confident	83.2	Confident	85 Å²	85	61 Å²	61	45%	0.445	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-65.2	127.3	174.5	177.9	142.3	0	0	0	109.6	M57 Y61 I112	M57-L120 HydrophobicContact CE-CD1 3.52Å; Y61-L120 HydrophobicContact CD2-CD1 4.14Å; Y61-L120 HydrophobicContact CE1-CB 4.47Å; Y61-L120 HydrophobicContact CE1-CD1 4.19Å; Y61-L120 HydrophobicContact CE2-CD1 3.7Å; Y61-L120 HydrophobicContact CE2-CG 4.38Å; Y61-L120 WeakPolarHBondContact OH-CA 3.47Å; I112-L120 HydrophobicContact CD1-CD2 4.38Å; I112-L120 HydrophobicContact CG2-CD1 3.84Å; I112-L120 HydrophobicContact CG2-CG 3.88Å
121	H	83.9	Confident	83.1	Confident	84 Å²	84	59.9 Å²	59.9	39%	0.389	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.9	178.6	-64.9	-66.4	0	0	0	110.6	E113 S118 Q119	E113-H121 HydrophobicContact CB-CB 4.3Å; E113-H121 PolarHBondContact N-O 3.36Å; E113-H121 PolarHBondContact O-N 2.76Å; E113-H121 VanDerWaalsContact O-N 3.15Å; S118-H121 PolarHBondContact OG-CD2 3.46Å; Q119-H121 PolarHBondContact O-CD2 3.12Å; Q119-H121 PolarHBondContact O-N 2.85Å; Q119-H121 PolarHBondContact O-NE2 2.92Å
122	L	84.5	Confident	83	Confident	107 Å²	107	64.5 Å²	64.5	56%	0.56	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.6	162	-69	173.9	0	0	0	107.2	T111 I112 E124	T111-L122 WeakPolarHBondContact O-CA 3.31Å; I112-L122 HydrophobicContact CD1-CD2 3.89Å; L122-E124 PolarHBondContact O-N 2.9Å
123	A	82	Confident	82.8	Confident	29 Å²	29	64.9 Å²	64.9	24%	0.24	38%	0.382	C	S	.	.	S	Bend	trans	-67.3	-29.4	-179.2	0	0	0	0	0	112.2	V86 T111 E113 T133	V86-A123 HydrophobicContact CG1-CB 3.68Å; V86-A123 HydrophobicContact CG2-CB 4.47Å; T111-A123 HydrophobicContact CG2-CB 3.68Å; T111-A123 PolarHBondContact O-N 2.76Å; E113-A123 HydrophobicContact CB-CB 3.83Å; A123-T133 HydrophobicContact CB-CG2 4.41Å
124	E	77.4	Confident	82.7	Confident	56 Å²	56	67.1 Å²	67.1	26%	0.262	39%	0.393	S	S	.	.			trans	-121	140.4	-179.4	-175.6	59.1	-118	0	0	110.9	L122 S126 K129 T133	L122-E124 PolarHBondContact O-N 2.9Å; E124-S126 WeakPolarHBondContact CG-O 3.47Å; E124-S126 WeakPolarHBondContact OE1-CB 3.31Å; E124-S126 PolarHBondContact OE1-N 3.05Å; E124-K129 HydrophobicContact CG-CB 4.45Å; E124-T133 HydrophobicContact CB-CG2 4.21Å; E124-T133 VanDerWaalsContact CB-OG1 3.28Å; E124-T133 WeakPolarHBondContact CB-OG1 3.45Å; E124-T133 WeakPolarHBondContact CG-OG1 3.24Å; E124-T133 PolarHBondContact OE2-OG1 2.84Å; E124-T133 VanDerWaalsContact OE2-OG1 3.08Å
125	S	72.5	Confident	82.9	Confident	127 Å²	127	66.1 Å²	66.1	89%	0.888	39%	0.389	S	S	*	.			trans	-103.6	-15.5	178.7	61.5	0	0	0	0	112.9
126	S	80.5	Confident	83.1	Confident	44 Å²	44	65.1 Å²	65.1	31%	0.308	38%	0.382	S	S	.	.			trans	-100.1	122.4	178.5	-172.4	0	0	0	0	112.4	E124 V128 K129 S130	E124-S126 WeakPolarHBondContact CG-O 3.47Å; E124-S126 WeakPolarHBondContact OE1-CB 3.31Å; E124-S126 PolarHBondContact OE1-N 3.05Å; S126-V128 PolarHBondContact O-N 3.24Å; S126-K129 PolarHBondContact O-N 3.45Å; S126-S130 PolarHBondContact O-N 3.16Å
127	A	76	Confident	83.6	Confident	33 Å²	33	62.8 Å²	62.8	27%	0.273	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-43.6	171.4	0	0	0	0	0	111.9	M108 K129 S130	M108-A127 HydrophobicContact CB-CB 4.36Å; M108-A127 HydrophobicContact CE-CB 3.39Å; A127-K129 VanDerWaalsContact C-N 3.29Å; A127-K129 PolarHBondContact O-N 3.37Å; A127-S130 PolarHBondContact O-N 2.93Å; A127-S130 PolarHBondContact O-OG 3.39Å
128	V	80.9	Confident	84.2	Confident	79 Å²	79	58.3 Å²	58.3	48%	0.479	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-29.9	-174.4	-173.8	0	0	0	0	113.1	S126	S126-V128 PolarHBondContact O-N 3.24Å
129	K	83.7	Confident	84.9	Confident	133 Å²	133	56.3 Å²	56.3	58%	0.578	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-9.2	-177	-65.1	-173.6	178.3	-176.2	0	114.1	E124 S126 A127 C131 L132 T133	E124-K129 HydrophobicContact CG-CB 4.45Å; S126-K129 PolarHBondContact O-N 3.45Å; A127-K129 VanDerWaalsContact C-N 3.29Å; A127-K129 PolarHBondContact O-N 3.37Å; K129-C131 VanDerWaalsContact C-N 3.27Å; K129-C131 PolarHBondContact O-N 3.25Å; K129-C131 VanDerWaalsContact O-N 3.15Å; K129-L132 CarbonylContact O-C 3.49Å; K129-L132 WeakPolarHBondContact O-CA 3.08Å; K129-L132 PolarHBondContact O-N 3.35Å; K129-T133 PolarHBondContact O-N 3.34Å; K129-T133 VanDerWaalsContact O-N 3.16Å; K129-T133 PolarHBondContact O-OG1 3.18Å
130	S	86.9	Confident	85.5	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.028	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-50.6	-41.4	-174.5	66	0	0	0	0	114.5	M108 C109 T111 S126 A127 L132 T133	M108-S130 VanDerWaalsContact CA-OG 3.3Å; M108-S130 WeakPolarHBondContact CA-OG 3.46Å; C109-S130 PolarHBondContact N-OG 3.23Å; C109-S130 VanDerWaalsContact O-CB 3.3Å; C109-S130 WeakPolarHBondContact O-CB 3.18Å; T111-S130 PolarHBondContact OG1-O 3.35Å; S126-S130 PolarHBondContact O-N 3.16Å; A127-S130 PolarHBondContact O-N 2.93Å; A127-S130 PolarHBondContact O-OG 3.39Å; S130-L132 VanDerWaalsContact C-N 3.28Å; S130-L132 PolarHBondContact O-N 2.04Å; S130-T133 PolarHBondContact O-OG1 2.9Å
131	C	90.1	Very high	86.1	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.027	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-78	-8.9	179.4	-59.2	0	0	0	0	114.7	S36 W37 Y88 I102 C109 K129	S36-C131 CarbonylContact C-O 3.4Å; S36-C131 VanDerWaalsContact CA-O 3.24Å; S36-C131 WeakPolarHBondContact CA-O 2.99Å; S36-C131 WeakPolarHBondContact CB-O 3.24Å; W37-C131 HydrophobicContact CB-CB 4.35Å; W37-C131 PolarHBondContact N-O 2.69Å; Y88-C131 PolarHBondContact OH-O 2.97Å; I102-C131 HydrophobicContact CG2-CB 3.52Å; C109-C131 HydrophobicContact CB-CB 3.86Å; C109-C131 WeakPolarHBondContact CB-SG 3.36Å; C109-C131 PolarHBondContact N-SG 2.84Å; C109-C131 VanDerWaalsContact N-SG 3.35Å; C109-C131 VanDerWaalsContact SG-CA 3.53Å; C109-C131 WeakPolarHBondContact SG-CB 3.31Å; C109-C131 CovalentContact SG-SG 2.04Å; C109-C131 PolarHBondContact SG-SG 3.16Å; K129-C131 VanDerWaalsContact C-N 3.27Å; K129-C131 PolarHBondContact O-N 3.25Å; K129-C131 VanDerWaalsContact O-N 3.15Å
132	L	88.3	Confident	86.5	Confident	99 Å²	99	44.1 Å²	44.1	52%	0.518	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-112.9	2.3	-179.6	-58.5	176.8	0	0	0	112.3	R35 K129 S130 H134	R35-L132 CarbonylContact O-C 3.56Å; K129-L132 CarbonylContact O-C 3.49Å; K129-L132 WeakPolarHBondContact O-CA 3.08Å; K129-L132 PolarHBondContact O-N 3.35Å; S130-L132 VanDerWaalsContact C-N 3.28Å; S130-L132 PolarHBondContact O-N 2.04Å; L132-H134 PolarHBondContact O-N 3.45Å
133	T	87.3	Confident	86.7	Confident	17 Å²	17	44.4 Å²	44.4	10%	0.104	25%	0.248	C	C	.	.			trans	-68.4	119.3	178.2	-53.5	0	0	0	0	110.9	Y88 T111 A123 E124 K129 S130 A135	Y88-T133 VanDerWaalsContact CZ-O 3.23Å; Y88-T133 PolarHBondContact OH-N 3.45Å; Y88-T133 PolarHBondContact OH-O 3.29Å; T111-T133 HydrophobicContact CG2-CG2 4.35Å; A123-T133 HydrophobicContact CB-CG2 4.41Å; E124-T133 HydrophobicContact CB-CG2 4.21Å; E124-T133 VanDerWaalsContact CB-OG1 3.28Å; E124-T133 WeakPolarHBondContact CB-OG1 3.45Å; E124-T133 WeakPolarHBondContact CG-OG1 3.24Å; E124-T133 PolarHBondContact OE2-OG1 2.84Å; E124-T133 VanDerWaalsContact OE2-OG1 3.08Å; K129-T133 PolarHBondContact O-N 3.34Å; K129-T133 VanDerWaalsContact O-N 3.16Å; K129-T133 PolarHBondContact O-OG1 3.18Å; S130-T133 PolarHBondContact O-OG1 2.9Å; T133-A135 PolarHBondContact O-N 3.23Å
134	H	88.5	Confident	86.8	Confident	97 Å²	97	45.5 Å²	45.5	45%	0.449	25%	0.251	S	S	.	.			trans	-57.9	134.3	179.2	-68.9	-88.4	0	0	0	112.4	I34 I73 L132	I34-H134 CarbonylContact O-C 3.54Å; I34-H134 VanDerWaalsContact O-CA 3.3Å; I34-H134 WeakPolarHBondContact O-CA 3.47Å; I73-H134 HydrophobicContact CD1-CB 4.48Å; I73-H134 VanDerWaalsContact CD1-O 3.31Å; I73-H134 WeakPolarHBondContact CD1-O 3.49Å; I73-H134 HydrophobicContact CG1-CB 4.26Å; I73-H134 HydrophobicContact CG2-CB 4.42Å; L132-H134 PolarHBondContact O-N 3.45Å
135	A	89.5	Confident	86.8	Confident	2 Å²	2	46.9 Å²	46.9	2%	0.017	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146	176	0	0	0	0	0	110.4	V32 I34 V86 Y88 T133	V32-A135 VanDerWaalsContact O-O 3.1Å; I34-A135 HydrophobicContact CB-CB 4.09Å; I34-A135 HydrophobicContact CD1-CB 4.29Å; I34-A135 PolarHBondContact N-O 2.72Å; I34-A135 PolarHBondContact O-N 3.15Å; V86-A135 HydrophobicContact CG1-CB 4.19Å; V86-A135 VanDerWaalsContact O-CB 3.3Å; V86-A135 WeakPolarHBondContact O-CB 3.4Å; Y88-A135 HydrophobicContact CD2-CB 3.9Å; Y88-A135 HydrophobicContact CE2-CB 3.87Å; T133-A135 PolarHBondContact O-N 3.23Å
136	N	88.9	Confident	86.1	Confident	16 Å²	16	45.8 Å²	45.8	9%	0.086	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-3.8	-177.8	66.4	-1	0	0	0	113.5	N31 V32 I73 G84 V85 V86	N31-N136 PolarHBondContact N-O 2.9Å; V32-N136 PolarHBondContact N-O 2.84Å; V32-N136 CarbonylContact O-C 3.53Å; V32-N136 VanDerWaalsContact O-CA 3.28Å; V32-N136 WeakPolarHBondContact O-CA 3.44Å; I73-N136 HydrophobicContact CD1-CB 3.99Å; G84-N136 PolarHBondContact O-ND2 3.42Å; V85-N136 WeakPolarHBondContact CA-OD1 3.28Å; V86-N136 PolarHBondContact N-OD1 3.08Å; V86-N136 PolarHBondContact O-N 2.96Å; V86-N136 PolarHBondContact O-OD1 3.46Å
137	L	90.8	Very high	84.3	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.5	179	-177.5	80.7	0	0	0	109.3	W28 R30 L64 V85 V86 F87 V139	W28-L137 HydrophobicContact CB-CD1 4.18Å; R30-L137 HydrophobicContact CB-CD1 4.45Å; R30-L137 HydrophobicContact CG-CD1 3.77Å; L64-L137 HydrophobicContact CD1-CD2 3.88Å; L64-L137 HydrophobicContact CD2-CD2 3.96Å; L64-L137 HydrophobicContact CG-CD2 4.4Å; V85-L137 HydrophobicContact CB-CB 4.21Å; V85-L137 HydrophobicContact CB-CD2 3.99Å; V85-L137 HydrophobicContact CG1-CB 4.41Å; V85-L137 HydrophobicContact CG1-CD2 4.23Å; V85-L137 HydrophobicContact CG2-CD2 4.22Å; V86-L137 PolarHBondContact O-N 3.21Å; V86-L137 VanDerWaalsContact O-N 3.09Å; F87-L137 HydrophobicContact CB-CB 4.14Å; F87-L137 HydrophobicContact CB-CD2 4.2Å; F87-L137 HydrophobicContact CB-CG 4.42Å; F87-L137 WeakPolarHBondContact CB-O 3.17Å; F87-L137 HydrophobicContact CD1-CD2 3.96Å; F87-L137 HydrophobicContact CG-CD2 4.26Å; L137-V139 HydrophobicContact CD2-CG2 3.8Å; L137-V139 HydrophobicContact CG-CG2 4.16Å
138	L	93.2	Very high	82.4	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.8	168.8	-174.9	64.9	0	0	0	108.7	W28 Y29 I34 A40 K43 L51	W28-L138 CarbonylContact C-O 3.37Å; W28-L138 WeakPolarHBondContact CA-O 3.37Å; W28-L138 WeakPolarHBondContact CB-O 3.48Å; Y29-L138 HydrophobicContact CD2-CB 4.33Å; Y29-L138 HydrophobicContact CD2-CD2 4.1Å; Y29-L138 HydrophobicContact CD2-CG 4.38Å; Y29-L138 PolarHBondContact N-O 2.77Å; Y29-L138 PolarHBondContact O-N 2.87Å; I34-L138 HydrophobicContact CD1-CB 3.86Å; I34-L138 HydrophobicContact CD1-CD1 3.72Å; I34-L138 HydrophobicContact CD1-CG 4.38Å; A40-L138 HydrophobicContact CB-CD1 4.01Å; K43-L138 HydrophobicContact CB-CD1 4.47Å; K43-L138 HydrophobicContact CB-CD2 3.75Å; K43-L138 HydrophobicContact CD-CD2 4.17Å; L51-L138 HydrophobicContact CD2-CD1 4.42Å
139	V	94.3	Very high	80.3	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.7	170.5	-171.8	0	0	0	0	108.2	T27 W28 P52 F60 L64 F87 L137	T27-V139 CarbonylContact O-C 3.6Å; T27-V139 WeakPolarHBondContact O-CA 3.14Å; W28-V139 HydrophobicContact CB-CG2 4.06Å; P52-V139 WeakPolarHBondContact CD-O 3.18Å; P52-V139 HydrophobicContact CG-CB 4.04Å; P52-V139 HydrophobicContact CG-CG1 3.83Å; F60-V139 HydrophobicContact CD2-CG1 3.98Å; F60-V139 HydrophobicContact CE2-CB 4.39Å; F60-V139 HydrophobicContact CE2-CG1 3.76Å; F60-V139 HydrophobicContact CE2-CG2 4.2Å; F60-V139 HydrophobicContact CZ-CG1 4.09Å; L64-V139 HydrophobicContact CD2-CG2 4.42Å; F87-V139 HydrophobicContact CB-CG2 4.14Å; F87-V139 HydrophobicContact CD2-CB 4.48Å; F87-V139 HydrophobicContact CD2-CG2 3.88Å; F87-V139 HydrophobicContact CE2-CG2 4.45Å; F87-V139 HydrophobicContact CG-CG2 3.99Å; L137-V139 HydrophobicContact CD2-CG2 3.8Å; L137-V139 HydrophobicContact CG-CG2 4.16Å
140	C	94.8	Very high	77.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.4	179.3	-59.4	0	0	0	0	110.8	F26 T27 C44 L50	F26-C140 CarbonylContact C-O 3.51Å; F26-C140 WeakPolarHBondContact CA-O 3.07Å; T27-C140 PolarHBondContact N-O 2.87Å; T27-C140 PolarHBondContact O-N 3.34Å; T27-C140 PolarHBondContact OG1-O 3.01Å; C44-C140 WeakPolarHBondContact CA-SG 3.14Å; C44-C140 HydrophobicContact CB-CB 3.9Å; C44-C140 WeakPolarHBondContact CB-SG 3.04Å; C44-C140 VanDerWaalsContact SG-CA 3.51Å; C44-C140 WeakPolarHBondContact SG-CB 3.36Å; C44-C140 CovalentContact SG-SG 2.05Å; C44-C140 PolarHBondContact SG-SG 2.91Å; L50-C140 CarbonylContact O-C 3Å; L50-C140 WeakPolarHBondContact O-CA 3.38Å
141	K	93.6	Very high	75	Confident	49 Å²	49	59.9 Å²	59.9	21%	0.213	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.6	-178.7	-179.8	-171	178.4	172.9	0	108.8	V24 N25 F26 S49 L50 D56	V24-K141 HydrophobicContact CG1-CD 4.02Å; V24-K141 HydrophobicContact CG1-CG 3.3Å; N25-K141 CarbonylContact O-C 3.42Å; N25-K141 WeakPolarHBondContact O-CA 3.48Å; F26-K141 HydrophobicContact CD1-CB 4.2Å; F26-K141 HydrophobicContact CD1-CG 4.23Å; F26-K141 HydrophobicContact CE1-CB 4.13Å; F26-K141 HydrophobicContact CE1-CD 4.05Å; F26-K141 HydrophobicContact CE1-CG 3.78Å; F26-K141 HydrophobicContact CZ-CG 4.39Å; S49-K141 CarbonylContact C-O 3.4Å; S49-K141 WeakPolarHBondContact CA-O 3.3Å; S49-K141 WeakPolarHBondContact CB-O 3.08Å; L50-K141 PolarHBondContact N-O 2.85Å; L50-K141 WeakPolarHBondContact O-CB 3.33Å; L50-K141 PolarHBondContact O-N 2.94Å; D56-K141 VanDerWaalsContact CG-NZ 3.35Å; D56-K141 IonicContact OD1-NZ 2.74Å; D56-K141 PolarHBondContact OD1-NZ 2.71Å; D56-K141 WeakPolarHBondContact OD2-CD 3.29Å; D56-K141 IonicContact OD2-NZ 3.61Å; D56-K141 PolarHBondContact OD2-NZ 3.5Å
142	S	92	Very high	72.4	Confident	25 Å²	25	69.7 Å²	69.7	18%	0.175	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	150.1	172.4	38	0	0	0	0	110.9	V24 N25 S49	V24-S142 CarbonylContact C-O 3.4Å; V24-S142 WeakPolarHBondContact CA-O 3.49Å; V24-S142 WeakPolarHBondContact CG1-O 3.45Å; N25-S142 PolarHBondContact N-O 3.08Å; N25-S142 PolarHBondContact O-N 2.77Å; N25-S142 PolarHBondContact O-OG 3.47Å; S49-S142 WeakPolarHBondContact OG-CB 3.44Å
143	E	89.6	Confident	69.8	Low	113 Å²	113	72 Å²	72	53%	0.528	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.8	166.7	-65.3	-168.3	150.5	0	0	109	R22	R22-E143 IonicContact NH1-OE1 3.32Å; R22-E143 PolarHBondContact NH1-OE1 3.49Å
144	V	84.6	Confident	67.2	Low	53 Å²	53	78.3 Å²	78.3	32%	0.321	43%	0.432	S	S	.	.	S	Bend	trans	-84.5	-36	178.2	179	0	0	0	0	110.9	V14 R23 N25 S146	V14-V144 HydrophobicContact CG1-CG2 4.04Å; V14-V144 HydrophobicContact CG2-CG2 4.33Å; R23-V144 HydrophobicContact CB-CB 3.99Å; R23-V144 HydrophobicContact CB-CG2 4.38Å; R23-V144 PolarHBondContact O-N 2.72Å; N25-V144 HydrophobicContact CB-CG2 3.59Å; V144-S146 PolarHBondContact O-N 3.07Å
145	D	76.7	Confident	64.8	Low	84 Å²	84	80.6 Å²	80.6	45%	0.449	45%	0.448	S	S	.	.			trans	-92.8	68.9	-174.4	-54.6	-34.9	0	0	0	109.6	R23 S147	R23-D145 VanDerWaalsContact CB-OD2 3.32Å; R23-D145 WeakPolarHBondContact CB-OD2 3.48Å; R23-D145 WeakPolarHBondContact CG-OD2 3.48Å; R23-D145 PolarHBondContact N-OD2 3.36Å; R23-D145 IonicContact NH1-OD1 2.79Å; D145-S147 VanDerWaalsContact C-N 3.29Å; D145-S147 PolarHBondContact O-N 2.8Å
146	S	57.2	Low	62	Low	105 Å²	105	85.8 Å²	85.8	73%	0.734	48%	0.484	S	S	*	.			trans	-92.4	42.1	171.3	53.7	0	0	0	0	112.2	V144	V144-S146 PolarHBondContact O-N 3.07Å
147	S	43.3	Very low	59.5	Low	100 Å²	100	94.9 Å²	94.9	70%	0.699	52%	0.519	S	S	*	.	S	Bend	trans	-173	141.7	168.3	53.3	0	0	0	0	112.5	D145	D145-S147 VanDerWaalsContact C-N 3.29Å; D145-S147 PolarHBondContact O-N 2.8Å
148	S	35.5	Very low	56.8	Low	100 Å²	100	100.4 Å²	100.4	70%	0.699	55%	0.554	S	S	*	*			trans	91.2	58.1	169.5	77.5	0	0	0	0	118.9
149	V	38.3	Very low	54.1	Low	152 Å²	152	107.5 Å²	107.5	92%	0.921	59%	0.587	S	S	*	*				-106.6	82.7	125.9	-176.4	0	0	0	0	106.6
150	T	28.4	Very low	51.1	Low	106 Å²	106	115.6 Å²	115.6	65%	0.65	63%	0.627	S	S	*	*			trans	-72.7	134	160.5	41.2	0	0	0	0	108.8
151	N	29.2	Very low	48.1	Very low	130 Å²	130	121 Å²	121	70%	0.695	66%	0.664	S	S	*	*			trans	121.2	92.7	159.8	-65	-10.5	0	0	0	113.2
152	Y	35.4	Very low	45.1	Very low	211 Å²	211	122.9 Å²	122.9	83%	0.827	68%	0.676	S	S	*	*				-179.4	159.6	88.1	-98.7	-80.1	0	0	0	108.6
153	D	34.1	Very low	42.4	Very low	147 Å²	147	130.7 Å²	130.7	79%	0.786	71%	0.707	S	S	*	*			trans	-51.5	155.5	-162.9	-61.4	-69	0	0	0	118.4
154	D	33.8	Very low	40.1	Very low	150 Å²	150	130.7 Å²	130.7	80%	0.802	72%	0.715	S	S	*	*			trans	101.6	135.7	143.8	-123.1	-2.3	0	0	0	120.2
155	D	37.2	Very low	37.8	Very low	144 Å²	144	134 Å²	134	77%	0.77	73%	0.73	S	S	*	*			trans	75.7	97.8	173.3	-61.4	-32.1	0	0	0	119.7
156	S	31.5	Very low	36.2	Very low	111 Å²	111	135.7 Å²	135.7	78%	0.776	74%	0.739	S	S	*	*			trans	-73.6	110.9	168.6	20.5	0	0	0	0	111
157	Y	35.4	Very low	35.2	Very low	208 Å²	208	137 Å²	137	82%	0.816	73%	0.732	S	S	*	*			trans	-148.7	137.2	147.5	-92.1	-81.3	0	0	0	109.9	H159	Y157-H159 PolarHBondContact O-N 2.85Å; Y157-H159 VanDerWaalsContact O-N 3.14Å
158	P	35.4	Very low	35	Very low	117 Å²	117	140.9 Å²	140.9	76%	0.76	73%	0.731	S	S	*	*			trans	-76.3	105.7	-174.6	29.7	-31.3	0	0	0	110.2	M160	P158-M160 PolarHBondContact O-N 3.25Å
159	H	36.5	Very low	35	Very low	152 Å²	152	142.7 Å²	142.7	70%	0.704	73%	0.727	S	S	*	*			trans	-71.2	94.3	173	-81.9	-64.2	0	0	0	110.8	Y157 N162	Y157-H159 PolarHBondContact O-N 2.85Å; Y157-H159 VanDerWaalsContact O-N 3.14Å; H159-N162 PolarHBondContact CE1-ND2 3.39Å; H159-N162 PolarHBondContact ND1-ND2 2.77Å
160	M	31.3	Very low	35.1	Very low	170 Å²	170	137.6 Å²	137.6	84%	0.837	71%	0.705	S	S	*	*			trans	-59.3	128.2	153.2	-63.3	-162.6	100.5	0	0	108.8	P158 N162	P158-M160 PolarHBondContact O-N 3.25Å; M160-N162 PolarHBondContact O-N 2.84Å
161	C	32.2	Very low	36	Very low	115 Å²	115	138.9 Å²	138.9	78%	0.777	72%	0.715	S	S	*	*			trans	22.9	66	160.9	-60.9	0	0	0	0	116.8	F163	C161-F163 PolarHBondContact O-N 2.86Å
162	N	28.7	Very low	36.9	Very low	87 Å²	87	134.8 Å²	134.8	47%	0.465	69%	0.693	S	S	.	*			trans	-77.4	100.9	165.7	-92.1	-12.6	0	0	0	109.2	H159 M160 V164	H159-N162 PolarHBondContact CE1-ND2 3.39Å; H159-N162 PolarHBondContact ND1-ND2 2.77Å; M160-N162 PolarHBondContact O-N 2.84Å; N162-V164 PolarHBondContact O-N 3.1Å
163	F	37.1	Very low	37.9	Very low	190 Å²	190	127.5 Å²	127.5	83%	0.833	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	15.9	160.4	-84	-87	0	0	0	113.2	C161	C161-F163 PolarHBondContact O-N 2.86Å
164	V	39.5	Very low	39.5	Very low	113 Å²	113	129.3 Å²	129.3	69%	0.685	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-1.1	-177.1	-172.8	0	0	0	0	112.2	N162 D166	N162-V164 PolarHBondContact O-N 3.1Å; V164-D166 VanDerWaalsContact C-N 3.32Å; V164-D166 PolarHBondContact O-N 3.33Å
165	D	37.8	Very low	40.9	Very low	122 Å²	122	130.1 Å²	130.1	65%	0.652	66%	0.664	S	S	*	*			trans	-96.4	33	170.6	-74.6	-40.9	0	0	0	113.6	K167	D165-K167 PolarHBondContact O-N 3.16Å
166	D	42.3	Very low	42.5	Very low	119 Å²	119	125.4 Å²	125.4	64%	0.636	64%	0.639	S	S	*	*			trans	-69	44.6	144.8	-89.1	-18.3	0	0	0	110.3	V164 W168	V164-D166 VanDerWaalsContact C-N 3.32Å; V164-D166 PolarHBondContact O-N 3.33Å; D166-W168 VanDerWaalsContact C-N 3.28Å; D166-W168 PolarHBondContact O-N 3.39Å
167	K	36.7	Very low	44.2	Very low	134 Å²	134	124.3 Å²	124.3	58%	0.583	62%	0.624	S	S	*	*			trans	-69.9	97.1	161.4	-99.3	-173.3	-177.5	162.7	0	106.3	D165 F169	D165-K167 PolarHBondContact O-N 3.16Å; K167-F169 HydrophobicContact CB-CD2 3.62Å; K167-F169 HydrophobicContact CB-CE2 3.32Å; K167-F169 HydrophobicContact CB-CG 4.35Å; K167-F169 HydrophobicContact CB-CZ 3.85Å; K167-F169 HydrophobicContact CD-CE1 3.82Å; K167-F169 HydrophobicContact CD-CE2 3.64Å; K167-F169 HydrophobicContact CD-CZ 3.23Å; K167-F169 HydrophobicContact CG-CE2 4.13Å; K167-F169 HydrophobicContact CG-CZ 4.16Å; K167-F169 WeakPolarHBondContact O-CD2 3.5Å; K167-F169 PolarHBondContact O-N 2.86Å
168	W	39.6	Very low	45.9	Very low	180 Å²	180	117.9 Å²	117.9	68%	0.682	60%	0.604	S	S	*	*			trans	-54.3	81.3	159.5	-61.6	83.6	0	0	0	108.9	D166 G170 L172	D166-W168 VanDerWaalsContact C-N 3.28Å; D166-W168 PolarHBondContact O-N 3.39Å; W168-G170 VanDerWaalsContact C-N 3.3Å; W168-G170 PolarHBondContact O-N 3.15Å; W168-L172 HydrophobicContact CB-CD1 3.75Å; W168-L172 HydrophobicContact CD2-CD1 3.96Å; W168-L172 HydrophobicContact CE3-CD1 4.18Å; W168-L172 HydrophobicContact CG-CD1 3.76Å
169	F	34.2	Very low	47.2	Very low	139 Å²	139	116.9 Å²	116.9	61%	0.61	59%	0.591	S	S	*	*			trans	-77.7	87	173.1	-73.8	-76.1	0	0	0	108.5	K167	K167-F169 HydrophobicContact CB-CD2 3.62Å; K167-F169 HydrophobicContact CB-CE2 3.32Å; K167-F169 HydrophobicContact CB-CG 4.35Å; K167-F169 HydrophobicContact CB-CZ 3.85Å; K167-F169 HydrophobicContact CD-CE1 3.82Å; K167-F169 HydrophobicContact CD-CE2 3.64Å; K167-F169 HydrophobicContact CD-CZ 3.23Å; K167-F169 HydrophobicContact CG-CE2 4.13Å; K167-F169 HydrophobicContact CG-CZ 4.16Å; K167-F169 WeakPolarHBondContact O-CD2 3.5Å; K167-F169 PolarHBondContact O-N 2.86Å
170	G	40.9	Very low	48.7	Very low	44 Å²	44	115.4 Å²	115.4	45%	0.454	58%	0.583	S	S	.	*	S	Bend	trans	164	139.6	175.8	0	0	0	0	0	106.9	W168 L172	W168-G170 VanDerWaalsContact C-N 3.3Å; W168-G170 PolarHBondContact O-N 3.15Å; G170-L172 PolarHBondContact O-N 3.17Å
171	P	46.3	Very low	50.4	Low	133 Å²	133	113.2 Å²	113.2	86%	0.864	57%	0.571	S	S	*	*			trans	-53.9	115.4	177.6	23.5	-31.7	0	0	0	107.4
172	L	49.4	Very low	52	Low	44 Å²	44	113.6 Å²	113.6	23%	0.23	56%	0.559	C	S	.	*			trans	-48.5	127.7	-178.1	-147.8	77.5	0	0	0	107.2	W168 G170 K174 I176 L177	W168-L172 HydrophobicContact CB-CD1 3.75Å; W168-L172 HydrophobicContact CD2-CD1 3.96Å; W168-L172 HydrophobicContact CE3-CD1 4.18Å; W168-L172 HydrophobicContact CG-CD1 3.76Å; G170-L172 PolarHBondContact O-N 3.17Å; L172-K174 PolarHBondContact O-N 3.3Å; L172-I176 HydrophobicContact CD2-CB 4.07Å; L172-I176 HydrophobicContact CD2-CG2 3.55Å; L172-I176 HydrophobicContact CG-CB 4.12Å; L172-I176 HydrophobicContact CG-CG2 3.94Å; L172-L177 HydrophobicContact CB-CD1 4.24Å; L172-L177 HydrophobicContact CB-CD2 4.38Å; L172-L177 HydrophobicContact CB-CG 3.99Å; L172-L177 HydrophobicContact CD2-CD2 3.97Å; L172-L177 HydrophobicContact CD2-CG 4.02Å
173	P	56.9	Low	53.4	Low	59 Å²	59	111.7 Å²	111.7	38%	0.383	56%	0.555	S	S	.	*			trans	-48.5	131.5	179.8	-27.3	31.9	0	0	0	109.5	W175 I176 L177	P173-W175 HydrophobicContact CB-CG 4.34Å; P173-W175 PolarHBondContact O-N 3.08Å; P173-I176 HydrophobicContact CB-CD1 4.47Å; P173-I176 HydrophobicContact CB-CG1 4.36Å; P173-I176 HydrophobicContact CG-CD1 4.12Å; P173-I176 PolarHBondContact O-N 3.36Å; P173-L177 PolarHBondContact O-N 2.84Å
174	K	66.2	Low	54.3	Low	185 Å²	185	108.1 Å²	108.1	80%	0.804	54%	0.541	S	S	*	.	H	α-helix	trans	-48.3	-35.1	-173.8	-74	-177.3	178.8	179.9	0	112.6	L172 I176 L177 D178	L172-K174 PolarHBondContact O-N 3.3Å; K174-I176 PolarHBondContact O-N 2.93Å; K174-L177 WeakPolarHBondContact O-CB 3.18Å; K174-L177 PolarHBondContact O-N 3.06Å; K174-D178 VanDerWaalsContact O-CB 3.32Å; K174-D178 WeakPolarHBondContact O-CB 3.12Å; K174-D178 PolarHBondContact O-N 3.29Å
175	W	63.4	Low	54.9	Low	166 Å²	166	110.2 Å²	110.2	63%	0.629	54%	0.541	S	S	*	.	H	α-helix	trans	-66.1	-30.8	178.2	72.7	-92	0	0	0	114.3	P173 D178 L179	P173-W175 HydrophobicContact CB-CG 4.34Å; P173-W175 PolarHBondContact O-N 3.08Å; W175-D178 WeakPolarHBondContact O-CB 3.5Å; W175-D178 PolarHBondContact O-N 3.41Å; W175-L179 HydrophobicContact CE3-CD1 3.4Å; W175-L179 HydrophobicContact CE3-CG 4.34Å; W175-L179 HydrophobicContact CZ3-CD1 3.38Å; W175-L179 WeakPolarHBondContact O-CB 3.41Å; W175-L179 VanDerWaalsContact O-CG 3.31Å; W175-L179 WeakPolarHBondContact O-CG 3.5Å; W175-L179 PolarHBondContact O-N 2.76Å
176	I	71.2	Confident	55.6	Low	45 Å²	45	115.1 Å²	115.1	23%	0.231	55%	0.551	C	S	.	*	H	α-helix	trans	-75.3	-39.5	173.6	-59.3	-177.2	0	0	0	110	L172 P173 K174 D178 L179 K180	L172-I176 HydrophobicContact CD2-CB 4.07Å; L172-I176 HydrophobicContact CD2-CG2 3.55Å; L172-I176 HydrophobicContact CG-CB 4.12Å; L172-I176 HydrophobicContact CG-CG2 3.94Å; P173-I176 HydrophobicContact CB-CD1 4.47Å; P173-I176 HydrophobicContact CB-CG1 4.36Å; P173-I176 HydrophobicContact CG-CD1 4.12Å; P173-I176 PolarHBondContact O-N 3.36Å; K174-I176 PolarHBondContact O-N 2.93Å; I176-D178 VanDerWaalsContact C-N 3.27Å; I176-D178 PolarHBondContact O-N 3.3Å; I176-L179 PolarHBondContact O-N 3.41Å; I176-K180 VanDerWaalsContact O-CB 3.31Å; I176-K180 WeakPolarHBondContact O-CB 3.46Å; I176-K180 PolarHBondContact O-N 3.3Å
177	L	67	Low	55.7	Low	89 Å²	89	116 Å²	116	47%	0.466	55%	0.551	S	S	.	*	H	α-helix	trans	-60.7	-41.3	169.8	-75.1	165.2	0	0	0	110.7	L172 P173 K174 K180 Q181	L172-L177 HydrophobicContact CB-CD1 4.24Å; L172-L177 HydrophobicContact CB-CD2 4.38Å; L172-L177 HydrophobicContact CB-CG 3.99Å; L172-L177 HydrophobicContact CD2-CD2 3.97Å; L172-L177 HydrophobicContact CD2-CG 4.02Å; P173-L177 PolarHBondContact O-N 2.84Å; K174-L177 WeakPolarHBondContact O-CB 3.18Å; K174-L177 PolarHBondContact O-N 3.06Å; L177-K180 PolarHBondContact O-N 3.07Å; L177-Q181 WeakPolarHBondContact O-CB 3.46Å; L177-Q181 PolarHBondContact O-N 3.37Å
178	D	71	Confident	56.1	Low	73 Å²	73	115 Å²	115	39%	0.39	55%	0.552	S	S	.	*	H	α-helix	trans	-65.2	-39.3	177.2	-134.9	54.4	0	0	0	111.5	K174 W175 I176 K182	K174-D178 VanDerWaalsContact O-CB 3.32Å; K174-D178 WeakPolarHBondContact O-CB 3.12Å; K174-D178 PolarHBondContact O-N 3.29Å; W175-D178 WeakPolarHBondContact O-CB 3.5Å; W175-D178 PolarHBondContact O-N 3.41Å; I176-D178 VanDerWaalsContact C-N 3.27Å; I176-D178 PolarHBondContact O-N 3.3Å; D178-K182 WeakPolarHBondContact O-CB 3.28Å; D178-K182 WeakPolarHBondContact O-CD 3.29Å; D178-K182 WeakPolarHBondContact O-CG 3.18Å; D178-K182 PolarHBondContact O-N 2.63Å; D178-K182 IonicContact OD2-NZ 3.12Å; D178-K182 PolarHBondContact OD2-NZ 3.33Å
179	L	62.8	Low	56.3	Low	96 Å²	96	114 Å²	114	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-70.4	-41	174.5	-80.5	173.2	0	0	0	111.9	W175 I176 K182 A183	W175-L179 HydrophobicContact CE3-CD1 3.4Å; W175-L179 HydrophobicContact CE3-CG 4.34Å; W175-L179 HydrophobicContact CZ3-CD1 3.38Å; W175-L179 WeakPolarHBondContact O-CB 3.41Å; W175-L179 VanDerWaalsContact O-CG 3.31Å; W175-L179 WeakPolarHBondContact O-CG 3.5Å; W175-L179 PolarHBondContact O-N 2.76Å; I176-L179 PolarHBondContact O-N 3.41Å; L179-K182 CarbonylContact O-C 3.54Å; L179-K182 PolarHBondContact O-N 3Å; L179-A183 WeakPolarHBondContact O-CA 3.39Å; L179-A183 WeakPolarHBondContact O-CB 3.44Å; L179-A183 PolarHBondContact O-N 2.8Å
180	K	68.3	Low	57	Low	121 Å²	121	113.8 Å²	113.8	53%	0.526	56%	0.558	S	S	.	*	H	α-helix	trans	-66.8	-40.8	176.1	-169.9	178.7	176.9	-175.1	0	110.6	I176 L177 A183 E184	I176-K180 VanDerWaalsContact O-CB 3.31Å; I176-K180 WeakPolarHBondContact O-CB 3.46Å; I176-K180 PolarHBondContact O-N 3.3Å; L177-K180 PolarHBondContact O-N 3.07Å; K180-A183 CarbonylContact O-C 3.56Å; K180-A183 PolarHBondContact O-N 3.47Å; K180-E184 WeakPolarHBondContact CE-OE1 3.37Å; K180-E184 WeakPolarHBondContact O-CB 3.26Å; K180-E184 WeakPolarHBondContact O-CG 3.43Å; K180-E184 PolarHBondContact O-N 3.11Å
181	Q	67.4	Low	57.4	Low	124 Å²	124	117.2 Å²	117.2	58%	0.579	57%	0.574	S	S	*	*	H	α-helix	trans	-66	-41.5	173.1	-172.7	176.8	0.7	0	0	111.2	L177 A183 F185	L177-Q181 WeakPolarHBondContact O-CB 3.46Å; L177-Q181 PolarHBondContact O-N 3.37Å; Q181-A183 VanDerWaalsContact C-N 3.32Å; Q181-A183 PolarHBondContact O-N 2.67Å; Q181-F185 VanDerWaalsContact O-CB 3.29Å; Q181-F185 WeakPolarHBondContact O-CB 3.47Å; Q181-F185 PolarHBondContact O-N 3.41Å
182	K	65.1	Low	57.7	Low	122 Å²	122	114.9 Å²	114.9	53%	0.53	55%	0.554	S	S	.	*	H	α-helix	trans	-66.4	-32.7	173	-80	167.3	-179.7	150.3	0	112.5	D178 L179 R186	D178-K182 WeakPolarHBondContact O-CB 3.28Å; D178-K182 WeakPolarHBondContact O-CD 3.29Å; D178-K182 WeakPolarHBondContact O-CG 3.18Å; D178-K182 PolarHBondContact O-N 2.63Å; D178-K182 IonicContact OD2-NZ 3.12Å; D178-K182 PolarHBondContact OD2-NZ 3.33Å; L179-K182 CarbonylContact O-C 3.54Å; L179-K182 PolarHBondContact O-N 3Å; K182-R186 WeakPolarHBondContact O-CB 3.49Å; K182-R186 WeakPolarHBondContact O-CG 3.3Å; K182-R186 PolarHBondContact O-N 2.83Å
183	A	58.5	Low	58.2	Low	47 Å²	47	120.4 Å²	120.4	39%	0.388	58%	0.576	S	S	.	*	H	α-helix	trans	-75.6	-41.4	176.7	0	0	0	0	0	111.1	L179 K180 Q181 F185 R186 Q187	L179-A183 WeakPolarHBondContact O-CA 3.39Å; L179-A183 WeakPolarHBondContact O-CB 3.44Å; L179-A183 PolarHBondContact O-N 2.8Å; K180-A183 CarbonylContact O-C 3.56Å; K180-A183 PolarHBondContact O-N 3.47Å; Q181-A183 VanDerWaalsContact C-N 3.32Å; Q181-A183 PolarHBondContact O-N 2.67Å; A183-F185 VanDerWaalsContact C-N 3.29Å; A183-F185 PolarHBondContact O-N 2.72Å; A183-R186 CarbonylContact O-C 3.55Å; A183-R186 PolarHBondContact O-N 3.16Å; A183-R186 VanDerWaalsContact O-N 3.08Å; A183-Q187 WeakPolarHBondContact O-CB 3.28Å; A183-Q187 PolarHBondContact O-N 2.97Å
184	E	55.7	Low	58.9	Low	116 Å²	116	125.7 Å²	125.7	54%	0.542	59%	0.593	S	S	.	*	H	α-helix	trans	-61.6	-38.3	169.8	-81.4	175.1	-176.8	0	0	110.7	K180 R186 Q187	K180-E184 WeakPolarHBondContact CE-OE1 3.37Å; K180-E184 WeakPolarHBondContact O-CB 3.26Å; K180-E184 WeakPolarHBondContact O-CG 3.43Å; K180-E184 PolarHBondContact O-N 3.11Å; E184-R186 VanDerWaalsContact C-N 3.28Å; E184-R186 PolarHBondContact O-N 2.76Å; E184-Q187 CarbonylContact O-C 3.57Å; E184-Q187 PolarHBondContact O-N 2.73Å
185	F	52	Low	59.4	Low	156 Å²	156	122.4 Å²	122.4	68%	0.684	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-19.4	174.3	-144.3	-86.2	0	0	0	113.4	Q181 A183	Q181-F185 VanDerWaalsContact O-CB 3.29Å; Q181-F185 WeakPolarHBondContact O-CB 3.47Å; Q181-F185 PolarHBondContact O-N 3.41Å; A183-F185 VanDerWaalsContact C-N 3.29Å; A183-F185 PolarHBondContact O-N 2.72Å
186	R	51.9	Low	59.9	Low	226 Å²	226	118.9 Å²	118.9	85%	0.853	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-22.3	174.9	-78.3	-149.2	-166.1	-133.1	7.2	113.6	K182 A183 E184 D188	K182-R186 WeakPolarHBondContact O-CB 3.49Å; K182-R186 WeakPolarHBondContact O-CG 3.3Å; K182-R186 PolarHBondContact O-N 2.83Å; A183-R186 CarbonylContact O-C 3.55Å; A183-R186 PolarHBondContact O-N 3.16Å; A183-R186 VanDerWaalsContact O-N 3.08Å; E184-R186 VanDerWaalsContact C-N 3.28Å; E184-R186 PolarHBondContact O-N 2.76Å; R186-D188 PolarHBondContact O-N 2.76Å; R186-D188 VanDerWaalsContact O-N 3.16Å
187	Q	44.8	Very low	60.2	Low	138 Å²	138	122.1 Å²	122.1	65%	0.645	59%	0.589	S	S	*	*			trans	-83.8	50	160.1	-67.7	172.5	-22.1	0	0	108.5	A183 E184 H189	A183-Q187 WeakPolarHBondContact O-CB 3.28Å; A183-Q187 PolarHBondContact O-N 2.97Å; E184-Q187 CarbonylContact O-C 3.57Å; E184-Q187 PolarHBondContact O-N 2.73Å; Q187-H189 PolarHBondContact O-N 2.62Å
188	D	45.1	Very low	60.9	Low	111 Å²	111	125 Å²	125	59%	0.594	60%	0.595	S	S	*	*			trans	-53.4	92	140.6	-79.7	-26.8	0	0	0	104.4	R186 I190	R186-D188 PolarHBondContact O-N 2.76Å; R186-D188 VanDerWaalsContact O-N 3.16Å; D188-I190 PolarHBondContact O-N 3.28Å
189	H	44.6	Very low	61.5	Low	161 Å²	161	125.5 Å²	125.5	75%	0.745	60%	0.597	S	S	*	*			trans	-43.8	98.7	139.7	-70.2	-63.7	0	0	0	103.1	Q187 C191	Q187-H189 PolarHBondContact O-N 2.62Å; H189-C191 PolarHBondContact O-N 3.29Å
190	I	48.7	Very low	62.5	Low	134 Å²	134	124.8 Å²	124.8	69%	0.687	60%	0.597	S	S	*	*			trans	-63.5	88.6	167.3	-53.2	172.7	0	0	0	100.9	D188 L192	D188-I190 PolarHBondContact O-N 3.28Å; I190-L192 HydrophobicContact CB-CG 4.4Å; I190-L192 HydrophobicContact CG2-CD2 3.72Å; I190-L192 HydrophobicContact CG2-CG 3.6Å; I190-L192 PolarHBondContact O-N 2.73Å
191	C	49.1	Very low	63.4	Low	115 Å²	115	121.1 Å²	121.1	78%	0.777	59%	0.588	S	S	*	*			trans	-63.7	75.7	161.3	-79.4	0	0	0	0	102.7	H189 K193	H189-C191 PolarHBondContact O-N 3.29Å; C191-K193 PolarHBondContact O-N 3.2Å
192	L	52.5	Low	64.4	Low	84 Å²	84	119.4 Å²	119.4	44%	0.44	59%	0.586	S	S	.	*			trans	-56.3	101.2	166.3	-78.1	169.1	0	0	0	102.3	I190 K194 F197	I190-L192 HydrophobicContact CB-CG 4.4Å; I190-L192 HydrophobicContact CG2-CD2 3.72Å; I190-L192 HydrophobicContact CG2-CG 3.6Å; I190-L192 PolarHBondContact O-N 2.73Å; L192-K194 PolarHBondContact O-N 3.07Å; L192-F197 HydrophobicContact CB-CB 4.25Å; L192-F197 HydrophobicContact CD1-CD2 4.13Å
193	K	60.9	Low	65.6	Low	161 Å²	161	116.7 Å²	116.7	70%	0.7	58%	0.582	S	S	*	*			trans	-41.7	119.4	171.7	-169.4	175.4	-175.2	177.1	0	104.9	C191 L195 L196	C191-K193 PolarHBondContact O-N 3.2Å; K193-L195 CarbonylContact O-C 3.6Å; K193-L195 PolarHBondContact O-N 3.12Å; K193-L196 PolarHBondContact O-N 3.22Å
194	K	70.8	Confident	67	Low	169 Å²	169	117.3 Å²	117.3	74%	0.735	58%	0.584	S	S	*	*	H	α-helix	trans	-41.5	-36.7	-166.2	-73.9	179.8	177.4	178.1	0	112.8	L192 F197 Y198	L192-K194 PolarHBondContact O-N 3.07Å; K194-F197 PolarHBondContact O-N 2.93Å; K194-Y198 HydrophobicContact CB-CD2 4.38Å; K194-Y198 HydrophobicContact CB-CE2 4.15Å; K194-Y198 WeakPolarHBondContact O-CD2 3.39Å; K194-Y198 PolarHBondContact O-N 3.33Å
195	L	75.8	Confident	68.5	Low	117 Å²	117	113.2 Å²	113.2	61%	0.613	57%	0.573	S	S	*	*	H	α-helix	trans	-55	-46.3	174.2	-162	125.4	0	0	0	115.3	K193 Y198 I199	K193-L195 CarbonylContact O-C 3.6Å; K193-L195 PolarHBondContact O-N 3.12Å; L195-Y198 PolarHBondContact O-N 3.3Å; L195-I199 HydrophobicContact CD2-CD1 3.52Å; L195-I199 HydrophobicContact CG-CD1 4.13Å; L195-I199 VanDerWaalsContact O-CG1 3.24Å; L195-I199 WeakPolarHBondContact O-CG1 3.18Å; L195-I199 PolarHBondContact O-N 3.41Å
196	L	74.6	Confident	70.4	Confident	91 Å²	91	110.8 Å²	110.8	48%	0.476	57%	0.566	S	S	.	*	H	α-helix	trans	-66	-40	178.1	-78.1	168.6	0	0	0	111.9	K193 I199 T200	K193-L196 PolarHBondContact O-N 3.22Å; L196-I199 PolarHBondContact O-N 3.06Å; L196-T200 WeakPolarHBondContact O-CG2 2.99Å; L196-T200 PolarHBondContact O-N 2.95Å; L196-T200 PolarHBondContact O-OG1 3.1Å; L196-T200 VanDerWaalsContact O-OG1 3.06Å
197	F	76.7	Confident	72.3	Confident	113 Å²	113	104.7 Å²	104.7	50%	0.496	55%	0.549	S	S	.	.	H	α-helix	trans	-63.3	-43.1	175.9	-179.5	-96.6	0	0	0	111.7	L192 K194 T200 A201	L192-F197 HydrophobicContact CB-CB 4.25Å; L192-F197 HydrophobicContact CD1-CD2 4.13Å; K194-F197 PolarHBondContact O-N 2.93Å; F197-T200 PolarHBondContact O-OG1 3.36Å; F197-T200 VanDerWaalsContact O-OG1 3.12Å; F197-A201 WeakPolarHBondContact O-CB 3.24Å; F197-A201 PolarHBondContact O-N 2.89Å
198	Y	82	Confident	74.5	Confident	150 Å²	150	103.1 Å²	103.1	59%	0.588	54%	0.544	S	S	*	.	H	α-helix	trans	-65.6	-40.4	175.2	-73	-61.5	0	0	0	112.2	K194 L195 V202	K194-Y198 HydrophobicContact CB-CD2 4.38Å; K194-Y198 HydrophobicContact CB-CE2 4.15Å; K194-Y198 WeakPolarHBondContact O-CD2 3.39Å; K194-Y198 PolarHBondContact O-N 3.33Å; L195-Y198 PolarHBondContact O-N 3.3Å; Y198-V202 WeakPolarHBondContact O-CB 3.35Å; Y198-V202 WeakPolarHBondContact O-CG2 3.3Å; Y198-V202 PolarHBondContact O-N 3.26Å
199	I	83.9	Confident	76.7	Confident	84 Å²	84	101.5 Å²	101.5	43%	0.431	54%	0.538	S	S	.	.	H	α-helix	trans	-63.9	-47.1	176.9	-69.1	167.4	0	0	0	110.8	L195 L196 V202 C203	L195-I199 HydrophobicContact CD2-CD1 3.52Å; L195-I199 HydrophobicContact CG-CD1 4.13Å; L195-I199 VanDerWaalsContact O-CG1 3.24Å; L195-I199 WeakPolarHBondContact O-CG1 3.18Å; L195-I199 PolarHBondContact O-N 3.41Å; L196-I199 PolarHBondContact O-N 3.06Å; I199-V202 PolarHBondContact O-N 2.86Å; I199-C203 VanDerWaalsContact O-CB 3.3Å; I199-C203 WeakPolarHBondContact O-CB 3.36Å; I199-C203 PolarHBondContact O-N 3.39Å; I199-C203 PolarHBondContact O-SG 2.91Å
200	T	84.2	Confident	79	Confident	81 Å²	81	98.2 Å²	98.2	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-67.4	-37.5	-179.6	55.1	0	0	0	0	112.1	L196 F197 C203 S204	L196-T200 WeakPolarHBondContact O-CG2 2.99Å; L196-T200 PolarHBondContact O-N 2.95Å; L196-T200 PolarHBondContact O-OG1 3.1Å; L196-T200 VanDerWaalsContact O-OG1 3.06Å; F197-T200 PolarHBondContact O-OG1 3.36Å; F197-T200 VanDerWaalsContact O-OG1 3.12Å; T200-C203 PolarHBondContact O-N 2.96Å; T200-S204 WeakPolarHBondContact O-CB 3.18Å; T200-S204 PolarHBondContact O-N 3.03Å; T200-S204 PolarHBondContact O-OG 3.06Å; T200-S204 VanDerWaalsContact O-OG 3.1Å
201	A	86.2	Confident	81.1	Confident	43 Å²	43	98.6 Å²	98.6	36%	0.355	53%	0.526	S	S	.	.	H	α-helix	trans	-66.8	-40.1	175.1	0	0	0	0	0	112.7	F197 S204 G205	F197-A201 WeakPolarHBondContact O-CB 3.24Å; F197-A201 PolarHBondContact O-N 2.89Å; A201-S204 PolarHBondContact O-OG 2.88Å; A201-G205 PolarHBondContact O-N 3.49Å
202	V	89.9	Confident	83.1	Confident	89 Å²	89	97.4 Å²	97.4	54%	0.539	51%	0.511	S	S	.	.	H	α-helix	trans	-68.7	-43.5	175.1	171.6	0	0	0	0	110.5	Y198 I199 G205 L206	Y198-V202 WeakPolarHBondContact O-CB 3.35Å; Y198-V202 WeakPolarHBondContact O-CG2 3.3Å; Y198-V202 PolarHBondContact O-N 3.26Å; I199-V202 PolarHBondContact O-N 2.86Å; V202-G205 PolarHBondContact O-N 3.08Å; V202-L206 HydrophobicContact CG1-CD1 4.17Å; V202-L206 HydrophobicContact CG1-CG 4.43Å; V202-L206 WeakPolarHBondContact O-CG 3.47Å; V202-L206 PolarHBondContact O-N 3.38Å
203	C	89.2	Confident	85	Confident	64 Å²	64	96.6 Å²	96.6	43%	0.432	51%	0.51	S	S	.	.	H	α-helix	trans	-62.8	-43.5	177	-74.9	0	0	0	0	112.3	I199 T200 L206 I207	I199-C203 VanDerWaalsContact O-CB 3.3Å; I199-C203 WeakPolarHBondContact O-CB 3.36Å; I199-C203 PolarHBondContact O-N 3.39Å; I199-C203 PolarHBondContact O-SG 2.91Å; T200-C203 PolarHBondContact O-N 2.96Å; C203-L206 PolarHBondContact O-N 2.86Å; C203-I207 WeakPolarHBondContact O-CD1 3.47Å; C203-I207 VanDerWaalsContact O-CG1 3.31Å; C203-I207 WeakPolarHBondContact O-CG1 3.32Å; C203-I207 PolarHBondContact O-N 3.22Å
204	S	88.1	Confident	86.5	Confident	61 Å²	61	91.5 Å²	91.5	43%	0.427	50%	0.495	S	S	.	.	H	α-helix	trans	-66.6	-38.7	176.2	65.3	0	0	0	0	111.6	T200 A201 I207 I208	T200-S204 WeakPolarHBondContact O-CB 3.18Å; T200-S204 PolarHBondContact O-N 3.03Å; T200-S204 PolarHBondContact O-OG 3.06Å; T200-S204 VanDerWaalsContact O-OG 3.1Å; A201-S204 PolarHBondContact O-OG 2.88Å; S204-I207 PolarHBondContact O-N 3.38Å; S204-I208 VanDerWaalsContact O-CG1 3.32Å; S204-I208 WeakPolarHBondContact O-CG1 2.86Å; S204-I208 PolarHBondContact O-N 3.32Å
205	G	87.6	Confident	87.4	Confident	30 Å²	30	87.2 Å²	87.2	31%	0.309	48%	0.482	S	S	.	.	H	α-helix	trans	-59.9	-45.9	172	0	0	0	0	0	113	A201 V202 I208 V209	A201-G205 PolarHBondContact O-N 3.49Å; V202-G205 PolarHBondContact O-N 3.08Å; G205-I208 PolarHBondContact O-N 3.38Å; G205-V209 WeakPolarHBondContact O-CG2 3.41Å; G205-V209 PolarHBondContact O-N 2.99Å
206	L	91.7	Very high	88.2	Confident	104 Å²	104	86.9 Å²	86.9	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-63.3	-41.5	176.9	-73.8	174.9	0	0	0	112.1	V202 C203 I208 V209 V210	V202-L206 HydrophobicContact CG1-CD1 4.17Å; V202-L206 HydrophobicContact CG1-CG 4.43Å; V202-L206 WeakPolarHBondContact O-CG 3.47Å; V202-L206 PolarHBondContact O-N 3.38Å; C203-L206 PolarHBondContact O-N 2.86Å; L206-I208 VanDerWaalsContact C-N 3.32Å; L206-I208 PolarHBondContact O-N 3.01Å; L206-V209 PolarHBondContact O-N 2.8Å; L206-V210 VanDerWaalsContact O-CG2 3.32Å; L206-V210 WeakPolarHBondContact O-CG2 3.35Å; L206-V210 PolarHBondContact O-N 3.39Å
207	I	91.3	Very high	88.9	Confident	98 Å²	98	87.6 Å²	87.6	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-59.4	-46.4	175.6	-71.1	161.1	0	0	0	110	C203 S204 V209 V210 F211	C203-I207 WeakPolarHBondContact O-CD1 3.47Å; C203-I207 VanDerWaalsContact O-CG1 3.31Å; C203-I207 WeakPolarHBondContact O-CG1 3.32Å; C203-I207 PolarHBondContact O-N 3.22Å; S204-I207 PolarHBondContact O-N 3.38Å; I207-V209 PolarHBondContact O-N 3.07Å; I207-V210 PolarHBondContact O-N 2.79Å; I207-F211 HydrophobicContact CG2-CD2 3.71Å; I207-F211 HydrophobicContact CG2-CE2 3.78Å; I207-F211 VanDerWaalsContact O-CD2 3.31Å; I207-F211 WeakPolarHBondContact O-CD2 3.46Å; I207-F211 PolarHBondContact O-N 2.92Å
208	I	91.6	Very high	89.6	Confident	106 Å²	106	87.7 Å²	87.7	54%	0.544	49%	0.489	S	S	.	.	H	α-helix	trans	-58.8	-50.5	176.7	-67.1	165	0	0	0	109.8	S204 G205 L206 V210 F211 I212	S204-I208 VanDerWaalsContact O-CG1 3.32Å; S204-I208 WeakPolarHBondContact O-CG1 2.86Å; S204-I208 PolarHBondContact O-N 3.32Å; G205-I208 PolarHBondContact O-N 3.38Å; L206-I208 VanDerWaalsContact C-N 3.32Å; L206-I208 PolarHBondContact O-N 3.01Å; I208-V210 VanDerWaalsContact C-N 3.31Å; I208-V210 PolarHBondContact O-N 3.07Å; I208-F211 WeakPolarHBondContact O-CA 3.31Å; I208-F211 WeakPolarHBondContact O-CB 3.49Å; I208-F211 PolarHBondContact O-N 3.47Å; I208-I212 HydrophobicContact CG2-CD1 4.13Å; I208-I212 HydrophobicContact CG2-CG1 4.21Å; I208-I212 WeakPolarHBondContact O-CG1 3.32Å; I208-I212 PolarHBondContact O-N 3.39Å
209	V	92	Very high	89.9	Confident	76 Å²	76	82.9 Å²	82.9	46%	0.461	48%	0.48	S	S	.	.	H	α-helix	trans	-56.1	-42	178.4	173.9	0	0	0	0	112.3	G205 L206 I207 I212 T213	G205-V209 WeakPolarHBondContact O-CG2 3.41Å; G205-V209 PolarHBondContact O-N 2.99Å; L206-V209 PolarHBondContact O-N 2.8Å; I207-V209 PolarHBondContact O-N 3.07Å; V209-I212 PolarHBondContact O-N 3.03Å; V209-T213 HydrophobicContact CG1-CG2 4.32Å; V209-T213 WeakPolarHBondContact O-CB 3.34Å; V209-T213 VanDerWaalsContact O-CG2 3.3Å; V209-T213 WeakPolarHBondContact O-CG2 3.3Å; V209-T213 PolarHBondContact O-N 2.99Å; V209-T213 PolarHBondContact O-OG1 3.34Å
210	V	92.8	Very high	90.1	Very high	93 Å²	93	83.2 Å²	83.2	56%	0.564	49%	0.486	S	S	*	.	H	α-helix	trans	-65	-40.1	175.7	172.7	0	0	0	0	111.2	L206 I207 I208 T213 S214	L206-V210 VanDerWaalsContact O-CG2 3.32Å; L206-V210 WeakPolarHBondContact O-CG2 3.35Å; L206-V210 PolarHBondContact O-N 3.39Å; I207-V210 PolarHBondContact O-N 2.79Å; I208-V210 VanDerWaalsContact C-N 3.31Å; I208-V210 PolarHBondContact O-N 3.07Å; V210-T213 WeakPolarHBondContact CA-OG1 3.26Å; V210-T213 PolarHBondContact O-OG1 2.92Å; V210-T213 VanDerWaalsContact O-OG1 3.11Å; V210-S214 WeakPolarHBondContact O-CB 3.41Å; V210-S214 PolarHBondContact O-N 3.01Å
211	F	92.3	Very high	90.4	Very high	142 Å²	142	88.1 Å²	88.1	62%	0.623	50%	0.495	S	S	*	.	H	α-helix	trans	-64.5	-45.2	175.2	-91.7	-75.4	0	0	0	112.5	I207 I208 T215	I207-F211 HydrophobicContact CG2-CD2 3.71Å; I207-F211 HydrophobicContact CG2-CE2 3.78Å; I207-F211 VanDerWaalsContact O-CD2 3.31Å; I207-F211 WeakPolarHBondContact O-CD2 3.46Å; I207-F211 PolarHBondContact O-N 2.92Å; I208-F211 WeakPolarHBondContact O-CA 3.31Å; I208-F211 WeakPolarHBondContact O-CB 3.49Å; I208-F211 PolarHBondContact O-N 3.47Å; F211-T215 WeakPolarHBondContact O-CB 3.33Å; F211-T215 VanDerWaalsContact O-CG2 3.24Å; F211-T215 WeakPolarHBondContact O-CG2 3.41Å; F211-T215 PolarHBondContact O-N 3.44Å; F211-T215 PolarHBondContact O-OG1 3.28Å
212	I	91.5	Very high	90.5	Very high	90 Å²	90	93.6 Å²	93.6	46%	0.462	51%	0.508	S	S	.	.	H	α-helix	trans	-67.2	-41.5	178.1	7.4	168.4	0	0	0	111.7	I208 V209 T215 L216	I208-I212 HydrophobicContact CG2-CD1 4.13Å; I208-I212 HydrophobicContact CG2-CG1 4.21Å; I208-I212 WeakPolarHBondContact O-CG1 3.32Å; I208-I212 PolarHBondContact O-N 3.39Å; V209-I212 PolarHBondContact O-N 3.03Å; I212-T215 WeakPolarHBondContact CA-OG1 3.12Å; I212-T215 PolarHBondContact O-N 3.48Å; I212-T215 PolarHBondContact O-OG1 3.26Å; I212-L216 WeakPolarHBondContact O-CB 3.31Å; I212-L216 VanDerWaalsContact O-CG 3.26Å; I212-L216 WeakPolarHBondContact O-CG 3.34Å; I212-L216 PolarHBondContact O-N 2.95Å
213	T	91.7	Very high	90.3	Very high	66 Å²	66	96.2 Å²	96.2	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-68.2	-41.4	178	51.8	0	0	0	0	111.9	V209 V210 L216 I217	V209-T213 HydrophobicContact CG1-CG2 4.32Å; V209-T213 WeakPolarHBondContact O-CB 3.34Å; V209-T213 VanDerWaalsContact O-CG2 3.3Å; V209-T213 WeakPolarHBondContact O-CG2 3.3Å; V209-T213 PolarHBondContact O-N 2.99Å; V209-T213 PolarHBondContact O-OG1 3.34Å; V210-T213 WeakPolarHBondContact CA-OG1 3.26Å; V210-T213 PolarHBondContact O-OG1 2.92Å; V210-T213 VanDerWaalsContact O-OG1 3.11Å; T213-L216 PolarHBondContact O-N 3.04Å; T213-I217 WeakPolarHBondContact O-CB 3.31Å; T213-I217 WeakPolarHBondContact O-CD1 3.39Å; T213-I217 WeakPolarHBondContact O-CG1 3.24Å; T213-I217 PolarHBondContact O-N 3.09Å
214	S	91.5	Very high	90	Very high	55 Å²	55	96.4 Å²	96.4	39%	0.385	51%	0.513	S	S	.	.	H	α-helix	trans	-61.1	-47.2	174.6	-179.9	0	0	0	0	111.7	V210 L216 I217 L218	V210-S214 WeakPolarHBondContact O-CB 3.41Å; V210-S214 PolarHBondContact O-N 3.01Å; S214-L216 PolarHBondContact O-N 3.07Å; S214-I217 PolarHBondContact O-N 2.88Å; S214-L218 WeakPolarHBondContact O-CB 3.33Å; S214-L218 PolarHBondContact O-N 3.39Å
215	T	91.5	Very high	89.8	Confident	78 Å²	78	98.5 Å²	98.5	48%	0.479	52%	0.519	S	S	.	.	H	α-helix	trans	-64.9	-38.6	177.8	51.3	0	0	0	0	112.3	F211 I212 L218 A219	F211-T215 WeakPolarHBondContact O-CB 3.33Å; F211-T215 VanDerWaalsContact O-CG2 3.24Å; F211-T215 WeakPolarHBondContact O-CG2 3.41Å; F211-T215 PolarHBondContact O-N 3.44Å; F211-T215 PolarHBondContact O-OG1 3.28Å; I212-T215 WeakPolarHBondContact CA-OG1 3.12Å; I212-T215 PolarHBondContact O-N 3.48Å; I212-T215 PolarHBondContact O-OG1 3.26Å; T215-L218 PolarHBondContact O-N 3.31Å; T215-A219 VanDerWaalsContact O-CB 3.31Å; T215-A219 WeakPolarHBondContact O-CB 3.46Å; T215-A219 PolarHBondContact O-N 3.46Å
216	L	90.9	Very high	89.6	Confident	111 Å²	111	99.5 Å²	99.5	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-63.7	-45.3	173.1	-78.4	169.4	0	0	0	112.2	I212 T213 S214 L218 A219 V220	I212-L216 WeakPolarHBondContact O-CB 3.31Å; I212-L216 VanDerWaalsContact O-CG 3.26Å; I212-L216 WeakPolarHBondContact O-CG 3.34Å; I212-L216 PolarHBondContact O-N 2.95Å; T213-L216 PolarHBondContact O-N 3.04Å; S214-L216 PolarHBondContact O-N 3.07Å; L216-L218 VanDerWaalsContact C-N 3.33Å; L216-L218 PolarHBondContact O-N 3.29Å; L216-A219 PolarHBondContact O-N 2.9Å; L216-V220 WeakPolarHBondContact O-CG2 3.47Å; L216-V220 PolarHBondContact O-N 3.4Å
217	I	90.4	Very high	89	Confident	105 Å²	105	99.1 Å²	99.1	54%	0.538	52%	0.517	S	S	.	.	H	α-helix	trans	-61.9	-43.8	177	-69	164	0	0	0	110.4	T213 S214 V220 R221	T213-I217 WeakPolarHBondContact O-CB 3.31Å; T213-I217 WeakPolarHBondContact O-CD1 3.39Å; T213-I217 WeakPolarHBondContact O-CG1 3.24Å; T213-I217 PolarHBondContact O-N 3.09Å; S214-I217 PolarHBondContact O-N 2.88Å; I217-V220 PolarHBondContact O-N 3.49Å; I217-R221 HydrophobicContact CG2-CG 4.34Å; I217-R221 WeakPolarHBondContact O-CB 3.39Å; I217-R221 VanDerWaalsContact O-CG 3.25Å; I217-R221 WeakPolarHBondContact O-CG 3.26Å; I217-R221 PolarHBondContact O-N 2.92Å
218	L	90.1	Very high	88.5	Confident	116 Å²	116	101.2 Å²	101.2	61%	0.607	52%	0.523	S	S	*	.	H	α-helix	trans	-61.7	-43.3	174.8	-98.1	141.1	0	0	0	111.8	S214 T215 L216 R221 Y222	S214-L218 WeakPolarHBondContact O-CB 3.33Å; S214-L218 PolarHBondContact O-N 3.39Å; T215-L218 PolarHBondContact O-N 3.31Å; L216-L218 VanDerWaalsContact C-N 3.33Å; L216-L218 PolarHBondContact O-N 3.29Å; L218-R221 PolarHBondContact O-N 2.81Å; L218-Y222 WeakPolarHBondContact O-CB 3.43Å; L218-Y222 PolarHBondContact O-N 2.9Å
219	A	88.4	Confident	87.8	Confident	49 Å²	49	102.1 Å²	102.1	41%	0.405	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-42.5	177	0	0	0	0	0	111.9	T215 L216 Y222 K223	T215-A219 VanDerWaalsContact O-CB 3.31Å; T215-A219 WeakPolarHBondContact O-CB 3.46Å; T215-A219 PolarHBondContact O-N 3.46Å; L216-A219 PolarHBondContact O-N 2.9Å; A219-Y222 PolarHBondContact O-N 3.11Å; A219-K223 WeakPolarHBondContact O-CB 3.34Å; A219-K223 VanDerWaalsContact O-CG 3.26Å; A219-K223 WeakPolarHBondContact O-CG 3.2Å; A219-K223 PolarHBondContact O-N 2.85Å
220	V	90	Very high	87	Confident	90 Å²	90	104.5 Å²	104.5	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-65.9	-46.1	175.7	172.8	0	0	0	0	110.9	L216 I217 Y222 K223 C224	L216-V220 WeakPolarHBondContact O-CG2 3.47Å; L216-V220 PolarHBondContact O-N 3.4Å; I217-V220 PolarHBondContact O-N 3.49Å; V220-Y222 VanDerWaalsContact C-N 3.31Å; V220-Y222 PolarHBondContact O-N 3.09Å; V220-K223 PolarHBondContact O-N 3.24Å; V220-C224 WeakPolarHBondContact O-CB 3.21Å; V220-C224 PolarHBondContact O-N 2.91Å; V220-C224 PolarHBondContact O-SG 3.5Å
221	R	88.8	Confident	85.8	Confident	184 Å²	184	109.3 Å²	109.3	69%	0.694	54%	0.538	S	S	*	.	H	α-helix	trans	-59.4	-43.6	175.5	-75.7	-107.8	-179.1	152.2	-0.6	111.1	I217 L218 C224 L225	I217-R221 HydrophobicContact CG2-CG 4.34Å; I217-R221 WeakPolarHBondContact O-CB 3.39Å; I217-R221 VanDerWaalsContact O-CG 3.25Å; I217-R221 WeakPolarHBondContact O-CG 3.26Å; I217-R221 PolarHBondContact O-N 2.92Å; L218-R221 PolarHBondContact O-N 2.81Å; R221-C224 PolarHBondContact O-N 3.48Å; R221-L225 WeakPolarHBondContact O-CB 3.25Å; R221-L225 VanDerWaalsContact O-CG 3.29Å; R221-L225 WeakPolarHBondContact O-CG 3.47Å; R221-L225 PolarHBondContact O-N 3.39Å
222	Y	90	Very high	84.6	Confident	159 Å²	159	109.6 Å²	109.6	62%	0.624	54%	0.539	S	S	*	.	H	α-helix	trans	-62.3	-47.9	176.4	-179.6	-100.5	0	0	0	111.3	L218 A219 V220 C224 L225 V226	L218-Y222 WeakPolarHBondContact O-CB 3.43Å; L218-Y222 PolarHBondContact O-N 2.9Å; A219-Y222 PolarHBondContact O-N 3.11Å; V220-Y222 VanDerWaalsContact C-N 3.31Å; V220-Y222 PolarHBondContact O-N 3.09Å; Y222-C224 PolarHBondContact O-N 2.94Å; Y222-L225 PolarHBondContact O-N 2.95Å; Y222-V226 HydrophobicContact CD1-CG2 4.17Å; Y222-V226 HydrophobicContact CD2-CG2 4.47Å; Y222-V226 HydrophobicContact CE1-CG2 3.8Å; Y222-V226 HydrophobicContact CE2-CG2 4.13Å; Y222-V226 HydrophobicContact CG-CG2 4.49Å; Y222-V226 WeakPolarHBondContact O-CB 3.43Å; Y222-V226 VanDerWaalsContact O-CG2 3.28Å; Y222-V226 WeakPolarHBondContact O-CG2 3.47Å; Y222-V226 PolarHBondContact O-N 2.83Å
223	K	85.8	Confident	83.1	Confident	143 Å²	143	110.7 Å²	110.7	62%	0.622	54%	0.543	S	S	*	.	H	α-helix	trans	-60.4	-44.2	175.2	-72.2	-74	-175.1	178.7	0	111.9	A219 V220 L225 V226 L227	A219-K223 WeakPolarHBondContact O-CB 3.34Å; A219-K223 VanDerWaalsContact O-CG 3.26Å; A219-K223 WeakPolarHBondContact O-CG 3.2Å; A219-K223 PolarHBondContact O-N 2.85Å; V220-K223 PolarHBondContact O-N 3.24Å; K223-L225 VanDerWaalsContact C-N 3.35Å; K223-L225 PolarHBondContact O-N 3.47Å; K223-V226 PolarHBondContact O-N 2.89Å; K223-L227 WeakPolarHBondContact O-CB 3.29Å; K223-L227 VanDerWaalsContact O-CG 3.25Å; K223-L227 WeakPolarHBondContact O-CG 3.49Å; K223-L227 PolarHBondContact O-N 3.44Å
224	C	82.2	Confident	81.4	Confident	68 Å²	68	113.9 Å²	113.9	46%	0.459	56%	0.556	S	S	.	*	H	α-helix	trans	-62.6	-39.4	175.8	-78.4	0	0	0	0	112.5	V220 R221 Y222 K228	V220-C224 WeakPolarHBondContact O-CB 3.21Å; V220-C224 PolarHBondContact O-N 2.91Å; V220-C224 PolarHBondContact O-SG 3.5Å; R221-C224 PolarHBondContact O-N 3.48Å; Y222-C224 PolarHBondContact O-N 2.94Å; C224-K228 WeakPolarHBondContact O-CB 3.25Å; C224-K228 WeakPolarHBondContact O-CG 3.34Å; C224-K228 PolarHBondContact O-N 3.31Å
225	L	83.2	Confident	79.6	Confident	106 Å²	106	113.7 Å²	113.7	56%	0.555	56%	0.563	S	S	*	*	H	α-helix	trans	-67.7	-45.5	175.1	-76.4	171.3	0	0	0	111.4	R221 Y222 K223 L227 K228 M229	R221-L225 WeakPolarHBondContact O-CB 3.25Å; R221-L225 VanDerWaalsContact O-CG 3.29Å; R221-L225 WeakPolarHBondContact O-CG 3.47Å; R221-L225 PolarHBondContact O-N 3.39Å; Y222-L225 PolarHBondContact O-N 2.95Å; K223-L225 VanDerWaalsContact C-N 3.35Å; K223-L225 PolarHBondContact O-N 3.47Å; L225-L227 VanDerWaalsContact C-N 3.31Å; L225-L227 PolarHBondContact O-N 2.89Å; L225-K228 PolarHBondContact O-N 2.9Å; L225-M229 WeakPolarHBondContact O-CB 3.38Å; L225-M229 WeakPolarHBondContact O-CG 3.28Å; L225-M229 PolarHBondContact O-N 3.2Å
226	V	83.9	Confident	77.6	Confident	50 Å²	50	114.1 Å²	114.1	30%	0.303	57%	0.565	S	S	.	*	H	α-helix	trans	-60.5	-41	175.4	171	0	0	0	0	110.9	Y222 K223 M229 K230	Y222-V226 HydrophobicContact CD1-CG2 4.17Å; Y222-V226 HydrophobicContact CD2-CG2 4.47Å; Y222-V226 HydrophobicContact CE1-CG2 3.8Å; Y222-V226 HydrophobicContact CE2-CG2 4.13Å; Y222-V226 HydrophobicContact CG-CG2 4.49Å; Y222-V226 WeakPolarHBondContact O-CB 3.43Å; Y222-V226 VanDerWaalsContact O-CG2 3.28Å; Y222-V226 WeakPolarHBondContact O-CG2 3.47Å; Y222-V226 PolarHBondContact O-N 2.83Å; K223-V226 PolarHBondContact O-N 2.89Å; V226-M229 PolarHBondContact O-N 3.47Å; V226-K230 WeakPolarHBondContact O-CB 3.47Å; V226-K230 WeakPolarHBondContact O-CG 3.38Å; V226-K230 PolarHBondContact O-N 2.86Å
227	L	79.3	Confident	75.3	Confident	96 Å²	96	114.4 Å²	114.4	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-65.6	-40.8	174.8	-73.7	169.5	0	0	0	112.2	K223 L225 R231	K223-L227 WeakPolarHBondContact O-CB 3.29Å; K223-L227 VanDerWaalsContact O-CG 3.25Å; K223-L227 WeakPolarHBondContact O-CG 3.49Å; K223-L227 PolarHBondContact O-N 3.44Å; L225-L227 VanDerWaalsContact C-N 3.31Å; L225-L227 PolarHBondContact O-N 2.89Å; L227-R231 WeakPolarHBondContact O-CB 3.38Å; L227-R231 WeakPolarHBondContact O-CG 3.5Å; L227-R231 PolarHBondContact O-N 2.85Å
228	K	80.3	Confident	72.8	Confident	142 Å²	142	112.1 Å²	112.1	62%	0.617	57%	0.569	S	S	*	*	H	α-helix	trans	-64.4	-40.8	173.6	-80.8	-175.2	176.7	-176.8	0	111.8	C224 L225 R231 K232	C224-K228 WeakPolarHBondContact O-CB 3.25Å; C224-K228 WeakPolarHBondContact O-CG 3.34Å; C224-K228 PolarHBondContact O-N 3.31Å; L225-K228 PolarHBondContact O-N 2.9Å; K228-R231 PolarHBondContact O-N 3.39Å; K228-K232 WeakPolarHBondContact O-CG 3.33Å; K228-K232 PolarHBondContact O-N 2.82Å
229	M	77.6	Confident	70.4	Confident	126 Å²	126	113 Å²	113	62%	0.621	57%	0.573	S	S	*	*	H	α-helix	trans	-65.3	-46.1	176.1	-71.2	-61.7	-155.6	0	0	111.2	L225 V226 R231 K232 Q233	L225-M229 WeakPolarHBondContact O-CB 3.38Å; L225-M229 WeakPolarHBondContact O-CG 3.28Å; L225-M229 PolarHBondContact O-N 3.2Å; V226-M229 PolarHBondContact O-N 3.47Å; M229-R231 VanDerWaalsContact C-N 3.34Å; M229-R231 PolarHBondContact O-N 3.42Å; M229-K232 PolarHBondContact O-N 3.43Å; M229-K232 VanDerWaalsContact O-N 3.13Å; M229-Q233 WeakPolarHBondContact O-CB 3.38Å; M229-Q233 PolarHBondContact O-N 3.39Å
230	K	74.8	Confident	67.9	Low	126 Å²	126	117.8 Å²	117.8	55%	0.548	59%	0.592	S	S	.	*	H	α-helix	trans	-60.2	-41	174.7	-78.4	-167.1	176.2	-166.7	0	112.4	V226 Q233 I234	V226-K230 WeakPolarHBondContact O-CB 3.47Å; V226-K230 WeakPolarHBondContact O-CG 3.38Å; V226-K230 PolarHBondContact O-N 2.86Å; K230-Q233 PolarHBondContact O-N 3.29Å; K230-I234 WeakPolarHBondContact O-CB 3.43Å; K230-I234 WeakPolarHBondContact O-CD1 3.39Å; K230-I234 VanDerWaalsContact O-CG1 3.26Å; K230-I234 WeakPolarHBondContact O-CG1 3.26Å; K230-I234 PolarHBondContact O-N 3.43Å
231	R	68.1	Low	65.4	Low	194 Å²	194	119.5 Å²	119.5	73%	0.732	60%	0.602	S	S	*	*	H	α-helix	trans	-64.7	-38.1	174.4	-75.2	-175.6	-166.9	175.7	3.8	112.5	L227 K228 M229 G235	L227-R231 WeakPolarHBondContact O-CB 3.38Å; L227-R231 WeakPolarHBondContact O-CG 3.5Å; L227-R231 PolarHBondContact O-N 2.85Å; K228-R231 PolarHBondContact O-N 3.39Å; M229-R231 VanDerWaalsContact C-N 3.34Å; M229-R231 PolarHBondContact O-N 3.42Å; R231-G235 PolarHBondContact O-N 2.79Å
232	K	67	Low	62.6	Low	147 Å²	147	122.3 Å²	122.3	64%	0.639	61%	0.613	S	S	*	*	H	α-helix	trans	-66.3	-43.5	173.9	-76.7	-173.8	176.1	-167.3	0	111.3	K228 M229 G235 T236	K228-K232 WeakPolarHBondContact O-CG 3.33Å; K228-K232 PolarHBondContact O-N 2.82Å; M229-K232 PolarHBondContact O-N 3.43Å; M229-K232 VanDerWaalsContact O-N 3.13Å; K232-G235 CarbonylContact O-C 3.49Å; K232-G235 WeakPolarHBondContact O-CA 3.39Å; K232-G235 PolarHBondContact O-N 2.85Å; K232-G235 VanDerWaalsContact O-N 3.11Å; K232-T236 PolarHBondContact O-N 3.48Å; K232-T236 PolarHBondContact O-OG1 2.83Å
233	Q	59.5	Low	59.9	Low	114 Å²	114	119 Å²	119	53%	0.533	62%	0.619	S	S	.	*	H	α-helix	trans	-64.1	-43.5	179.3	-162.2	167.9	7.7	0	0	111.8	M229 K230 G235 T236 D237	M229-Q233 WeakPolarHBondContact O-CB 3.38Å; M229-Q233 PolarHBondContact O-N 3.39Å; K230-Q233 PolarHBondContact O-N 3.29Å; Q233-G235 VanDerWaalsContact C-N 3.28Å; Q233-G235 PolarHBondContact O-N 3.41Å; Q233-T236 WeakPolarHBondContact CA-OG1 3.5Å; Q233-T236 PolarHBondContact O-N 3.37Å; Q233-T236 PolarHBondContact O-OG1 3.23Å; Q233-D237 VanDerWaalsContact O-CB 3.31Å; Q233-D237 WeakPolarHBondContact O-CB 3.43Å; Q233-D237 PolarHBondContact O-N 3.45Å
234	I	57.1	Low	57.1	Low	133 Å²	133	121.7 Å²	121.7	68%	0.682	63%	0.634	S	S	*	*	H	α-helix	trans	-66.3	-30.3	173	-66.6	159.7	0	0	0	111.7	K230	K230-I234 WeakPolarHBondContact O-CB 3.43Å; K230-I234 WeakPolarHBondContact O-CD1 3.39Å; K230-I234 VanDerWaalsContact O-CG1 3.26Å; K230-I234 WeakPolarHBondContact O-CG1 3.26Å; K230-I234 PolarHBondContact O-N 3.43Å
235	G	51.9	Low	54.5	Low	51 Å²	51	121.5 Å²	121.5	53%	0.526	64%	0.643	S	S	.	*	H	α-helix	trans	-76.6	-26.6	174	0	0	0	0	0	114.5	R231 K232 Q233	R231-G235 PolarHBondContact O-N 2.79Å; K232-G235 CarbonylContact O-C 3.49Å; K232-G235 WeakPolarHBondContact O-CA 3.39Å; K232-G235 PolarHBondContact O-N 2.85Å; K232-G235 VanDerWaalsContact O-N 3.11Å; Q233-G235 VanDerWaalsContact C-N 3.28Å; Q233-G235 PolarHBondContact O-N 3.41Å
236	T	49.9	Very low	51.9	Low	87 Å²	87	121.8 Å²	121.8	53%	0.534	65%	0.654	S	S	.	*	H	α-helix	trans	-93.5	-26	178	45	0	0	0	0	113.4	K232 Q233 G238	K232-T236 PolarHBondContact O-N 3.48Å; K232-T236 PolarHBondContact O-OG1 2.83Å; Q233-T236 WeakPolarHBondContact CA-OG1 3.5Å; Q233-T236 PolarHBondContact O-N 3.37Å; Q233-T236 PolarHBondContact O-OG1 3.23Å; T236-G238 PolarHBondContact O-N 2.85Å
237	D	43.1	Very low	49.3	Very low	117 Å²	117	128 Å²	128	63%	0.626	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-8.5	176.7	-66.8	-12.5	0	0	0	112.4	Q233	Q233-D237 VanDerWaalsContact O-CB 3.31Å; Q233-D237 WeakPolarHBondContact O-CB 3.43Å; Q233-D237 PolarHBondContact O-N 3.45Å
238	G	37.4	Very low	47	Very low	56 Å²	56	131.5 Å²	131.5	58%	0.577	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-9.6	174	0	0	0	0	0	114.9	T236	T236-G238 PolarHBondContact O-N 2.85Å
239	I	41	Very low	44.5	Very low	134 Å²	134	129.9 Å²	129.9	69%	0.687	70%	0.704	S	S	*	*	S	Bend	trans	-128.7	79.6	178.2	-53.8	171.6	0	0	0	106.1
240	N	35.8	Very low	42.4	Very low	151 Å²	151	129 Å²	129	81%	0.807	71%	0.709	S	S	*	*			trans	-171.9	49.6	154.3	-79.6	-23	0	0	0	108.2	W242	N240-W242 VanDerWaalsContact C-N 3.29Å; N240-W242 PolarHBondContact O-N 3.39Å
241	V	37.1	Very low	40.2	Very low	125 Å²	125	131.6 Å²	131.6	76%	0.758	72%	0.724	S	S	*	*			trans	-76.9	90.5	158.2	176.3	0	0	0	0	105.1
242	W	29.5	Very low	38.4	Very low	244 Å²	244	128.5 Å²	128.5	92%	0.924	73%	0.73	S	S	*	*			trans	155	91.1	155.5	-81.2	3.9	0	0	0	111.7	N240	N240-W242 VanDerWaalsContact C-N 3.29Å; N240-W242 PolarHBondContact O-N 3.39Å
243	A	32.6	Very low	36.9	Very low	90 Å²	90	126.9 Å²	126.9	74%	0.744	74%	0.735	S	S	*	*			trans	179.6	98.8	143.8	0	0	0	0	0	105.3
244	Q	28.8	Very low	35.5	Very low	199 Å²	199	129.4 Å²	129.4	93%	0.93	75%	0.751	S	S	*	*				37.1	103.8	99.9	-75.2	-167.6	-31	0	0	110.6
245	G	27.7	Very low	34.3	Very low	63 Å²	63	126.4 Å²	126.4	65%	0.649	75%	0.753	S	S	*	*			cis	116.7	136.8	47.7	0	0	0	0	0	106.7
246	S	27.6	Very low	33.5	Very low	113 Å²	113	133.6 Å²	133.6	79%	0.79	77%	0.773	S	S	*	*			trans	70.1	133.6	176.9	76.6	0	0	0	0	114.2
247	E	29.8	Very low	32.8	Very low	181 Å²	181	135.2 Å²	135.2	85%	0.846	78%	0.783	S	S	*	*			cis	-148.1	148.5	28.5	-69.4	174.9	151.3	0	0	111.3
248	I	29.6	Very low	32.4	Very low	169 Å²	169	136.7 Å²	136.7	87%	0.867	79%	0.791	S	S	*	*			trans	-75.5	124.9	169.7	-53.1	99.7	0	0	0	107.9
249	S	27.9	Very low	32.4	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	81%	0.806	S	S	*	*			trans	175.8	155.2	146.6	-163	0	0	0	0	112.9
250	S	34.4	Very low	31.9	Very low	106 Å²	106	142.1 Å²	142.1	74%	0.741	81%	0.812	S	S	*	*			trans	78.7	93.8	-177.5	72	0	0	0	0	114.6
251	Q	28.2	Very low	31.9	Very low	182 Å²	182	142.2 Å²	142.2	85%	0.85	81%	0.812	S	S	*	*				42.2	101.6	64.8	-78.7	173.2	-18.9	0	0	113.3
252	C	29.9	Very low	31.8	Very low	129 Å²	129	142.3 Å²	142.3	87%	0.872	81%	0.808	S	S	*	*				-171.7	153.1	114.1	-100.9	0	0	0	0	112.1
253	P	36.6	Very low	32.2	Very low	113 Å²	113	137.8 Å²	137.8	73%	0.734	80%	0.801	S	S	*	*			trans	-111.9	-167.2	-154.2	41.3	-29	0	0	0	113
254	L	30.5	Very low	32.3	Very low	166 Å²	166	140.1 Å²	140.1	87%	0.869	80%	0.8	S	S	*	*			trans	87.3	97.2	175.9	-123.7	68.9	0	0	0	111.8
255	G	30.7	Very low	32.9	Very low	71 Å²	71	135.7 Å²	135.7	73%	0.732	80%	0.797	S	S	*	*				80.9	52.9	51.3	0	0	0	0	0	109.8	T257	G255-T257 PolarHBondContact O-N 2.95Å
256	E	35.9	Very low	33.5	Very low	202 Å²	202	139.4 Å²	139.4	94%	0.944	80%	0.802	S	S	*	*			trans	-100.7	74.7	-179.7	-151	165.6	-155.7	0	0	108.6
257	T	34.2	Very low	33.9	Very low	121 Å²	121	138.4 Å²	138.4	74%	0.742	80%	0.795	S	S	*	*			trans	-93.4	141.7	165.9	46.1	0	0	0	0	109.7	G255	G255-T257 PolarHBondContact O-N 2.95Å
258	D	36.2	Very low	34.1	Very low	148 Å²	148	134.7 Å²	134.7	79%	0.791	80%	0.795	S	S	*	*			trans	75	88.6	161	-63.3	-15.7	0	0	0	118	R260	D258-R260 PolarHBondContact O-N 3.41Å
259	G	36.1	Very low	34.3	Very low	86 Å²	86	134.6 Å²	134.6	89%	0.887	79%	0.789	S	S	*	*				62.5	14	85.9	0	0	0	0	0	118.4	L261	G259-L261 PolarHBondContact O-N 3.44Å
260	R	30.7	Very low	34.5	Very low	218 Å²	218	140.4 Å²	140.4	82%	0.823	79%	0.794	S	S	*	*			trans	-94.1	90	173.5	-154.3	173.6	178.4	152.5	0.9	110.5	D258 D262	D258-R260 PolarHBondContact O-N 3.41Å; R260-D262 PolarHBondContact O-N 3.36Å; R260-D262 VanDerWaalsContact O-N 3.09Å
261	L	35.4	Very low	34.4	Very low	152 Å²	152	145.5 Å²	145.5	80%	0.796	80%	0.797	S	S	*	*			trans	-65.9	99.2	159.7	-71.2	161.4	0	0	0	107.3	G259 I263	G259-L261 PolarHBondContact O-N 3.44Å; L261-I263 HydrophobicContact CB-CG1 4.27Å; L261-I263 PolarHBondContact O-N 2.84Å
262	D	35.8	Very low	34.7	Very low	128 Å²	128	143.7 Å²	143.7	68%	0.684	79%	0.793	S	S	*	*			trans	-66.9	86.7	163.9	-99.5	-14	0	0	0	108.1	R260 L264	R260-D262 PolarHBondContact O-N 3.36Å; R260-D262 VanDerWaalsContact O-N 3.09Å; D262-L264 PolarHBondContact O-N 2.8Å; D262-L264 VanDerWaalsContact O-N 3.07Å
263	I	37.7	Very low	35.1	Very low	149 Å²	149	145.3 Å²	145.3	76%	0.764	79%	0.792	S	S	*	*			trans	-80.5	60.8	162.8	-50.1	177.6	0	0	0	107.4	L261	L261-I263 HydrophobicContact CB-CG1 4.27Å; L261-I263 PolarHBondContact O-N 2.84Å
264	L	33.7	Very low	34.9	Very low	139 Å²	139	145.7 Å²	145.7	73%	0.728	80%	0.798	S	S	*	*			trans	-148.2	78.4	162.8	-73.9	178.2	0	0	0	106.7	D262 D266	D262-L264 PolarHBondContact O-N 2.8Å; D262-L264 VanDerWaalsContact O-N 3.07Å; L264-D266 VanDerWaalsContact C-N 3.28Å; L264-D266 PolarHBondContact O-N 3.17Å
265	A	42.3	Very low	35	Very low	106 Å²	106	141.2 Å²	141.2	88%	0.876	79%	0.792	S	S	*	*			trans	-65.8	101	157.3	0	0	0	0	0	106.5	S267	A265-S267 PolarHBondContact O-N 2.89Å
266	D	39.9	Very low	35.2	Very low	141 Å²	141	148 Å²	148	75%	0.754	80%	0.802	S	S	*	*			trans	-44.3	131.5	-179	-75.7	-41	0	0	0	113.2	L264 A268	L264-D266 VanDerWaalsContact C-N 3.28Å; L264-D266 PolarHBondContact O-N 3.17Å; D266-A268 PolarHBondContact O-N 2.93Å
267	S	35.7	Very low	35.1	Very low	91 Å²	91	144.7 Å²	144.7	64%	0.636	80%	0.795	S	S	*	*			trans	-17.9	119.4	151.3	42.7	0	0	0	0	114.7	A265 F269	A265-S267 PolarHBondContact O-N 2.89Å; S267-F269 PolarHBondContact O-N 3.35Å
268	A	34.7	Very low	35.2	Very low	103 Å²	103	151.4 Å²	151.4	85%	0.851	81%	0.807	S	S	*	*	S	Bend	trans	-70.5	46	169	0	0	0	0	0	113.3	D266	D266-A268 PolarHBondContact O-N 2.93Å
269	F	34.1	Very low	35.4	Very low	168 Å²	168	147.3 Å²	147.3	74%	0.737	80%	0.8	S	S	*	*			trans	-120.4	48	166	-75.1	-73.9	0	0	0	110.5	S267 R271	S267-F269 PolarHBondContact O-N 3.35Å; F269-R271 VanDerWaalsContact C-N 3.33Å; F269-R271 PolarHBondContact O-N 2.81Å; F269-R271 VanDerWaalsContact O-N 3.07Å
270	R	31.3	Very low	35.5	Very low	230 Å²	230	146.7 Å²	146.7	87%	0.868	78%	0.782	S	S	*	*			trans	-70.2	99.8	153.2	-99	-164.1	175.6	-156.8	1.2	107.9	D272	R270-D272 PolarHBondContact O-N 3.13Å
271	R	33	Very low	35.9	Very low	213 Å²	213	146 Å²	146	80%	0.804	78%	0.781	S	S	*	*			trans	-74.7	110.6	162.1	-68.2	177.7	171.5	136.6	-1.5	106.6	F269 L273	F269-R271 VanDerWaalsContact C-N 3.33Å; F269-R271 PolarHBondContact O-N 2.81Å; F269-R271 VanDerWaalsContact O-N 3.07Å; R271-L273 PolarHBondContact O-N 2.95Å
272	D	33.8	Very low	35.8	Very low	143 Å²	143	147.5 Å²	147.5	77%	0.765	78%	0.781	S	S	*	*			trans	-65	127.4	171.1	-75.4	-31.7	0	0	0	109.7	R270	R270-D272 PolarHBondContact O-N 3.13Å
273	L	38.6	Very low	35.8	Very low	163 Å²	163	147.5 Å²	147.5	85%	0.853	78%	0.776	S	S	*	*	S	Bend	trans	-77.7	130.2	162.3	-96.9	78	0	0	0	107.7	R271	R271-L273 PolarHBondContact O-N 2.95Å
274	S	33.6	Very low	36	Very low	121 Å²	121	143 Å²	143	85%	0.846	76%	0.762	S	S	*	*	S	Bend	trans	89.1	111.9	176.9	79.1	0	0	0	0	115.3
275	G	31.8	Very low	36.2	Very low	73 Å²	73	142.4 Å²	142.4	75%	0.753	76%	0.758	S	S	*	*			trans	137.9	64.5	169.4	0	0	0	0	0	115	T277	G275-T277 PolarHBondContact O-N 3.42Å; G275-T277 VanDerWaalsContact O-N 3.09Å
276	F	35.7	Very low	36.2	Very low	214 Å²	214	142.4 Å²	142.4	94%	0.939	75%	0.748	S	S	*	*			trans	-64.5	101.7	155.9	-94.8	-91.8	0	0	0	108.9
277	T	33.4	Very low	36.3	Very low	131 Å²	131	141.3 Å²	141.3	80%	0.804	74%	0.742	S	S	*	*			trans	-128.8	108.7	151	44.9	0	0	0	0	110.3	G275 G279	G275-T277 PolarHBondContact O-N 3.42Å; G275-T277 VanDerWaalsContact O-N 3.09Å; T277-G279 PolarHBondContact O-N 3.01Å
278	R	35.9	Very low	36.8	Very low	263 Å²	263	141.9 Å²	141.9	99%	0.992	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	95.8	171.5	-164	-179.8	-168.9	-176.1	2.9	109.7
279	G	40.2	Very low	36.9	Very low	62 Å²	62	139.2 Å²	139.2	64%	0.639	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	177	-32.5	174.4	0	0	0	0	0	118.1	T277	T277-G279 PolarHBondContact O-N 3.01Å
280	S	38.1	Very low	36.9	Very low	72 Å²	72	141.8 Å²	141.8	50%	0.503	73%	0.734	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.2	24.9	-159.7	-154.2	0	0	0	0	117.4
281	Y	38.3	Very low	37.2	Very low	204 Å²	204	137.5 Å²	137.5	80%	0.8	72%	0.724	S	S	*	*	H	α-helix	trans	-77.9	-26.1	170.8	-144.2	-93.5	0	0	0	112.2
282	K	33.9	Very low	37.1	Very low	183 Å²	183	138.9 Å²	138.9	80%	0.796	73%	0.729	S	S	*	*	H	α-helix	trans	-83.9	-21.5	-178.8	-131.5	-177.9	-177.7	-174.7	0	113.5	V286	K282-V286 WeakPolarHBondContact O-CG2 3.31Å
283	E	36.5	Very low	37.2	Very low	128 Å²	128	140.5 Å²	140.5	60%	0.598	74%	0.736	S	S	*	*	H	α-helix	trans	-90.5	-29.2	178.4	-76.8	170.8	157.4	0	0	112.8	L285 V286 N287	E283-L285 VanDerWaalsContact C-N 3.31Å; E283-L285 PolarHBondContact O-N 2.83Å; E283-V286 PolarHBondContact O-N 3.19Å; E283-V286 VanDerWaalsContact O-N 3.08Å; E283-N287 PolarHBondContact O-N 2.89Å
284	A	42.1	Very low	37.2	Very low	55 Å²	55	136.9 Å²	136.9	46%	0.455	72%	0.724	S	S	.	*	H	α-helix	trans	-62.1	-38.3	176.7	0	0	0	0	0	112.4	V286 N287 S288	A284-V286 VanDerWaalsContact C-N 3.27Å; A284-V286 PolarHBondContact O-N 3.11Å; A284-N287 PolarHBondContact O-N 3.38Å; A284-S288 WeakPolarHBondContact O-CB 3.45Å; A284-S288 PolarHBondContact O-N 3.23Å; A284-S288 PolarHBondContact O-OG 2.83Å
285	L	38.1	Very low	37.2	Very low	126 Å²	126	137.5 Å²	137.5	66%	0.66	72%	0.719	S	S	*	*	H	α-helix	trans	-67	-26.4	174.9	-99.2	145.6	0	0	0	113.4	E283	E283-L285 VanDerWaalsContact C-N 3.31Å; E283-L285 PolarHBondContact O-N 2.83Å
286	V	41.7	Very low	37.1	Very low	107 Å²	107	137.8 Å²	137.8	65%	0.648	72%	0.721	S	S	*	*	H	α-helix	trans	-81.2	-33	177.8	-177.8	0	0	0	0	110.6	K282 E283 A284	K282-V286 WeakPolarHBondContact O-CG2 3.31Å; E283-V286 PolarHBondContact O-N 3.19Å; E283-V286 VanDerWaalsContact O-N 3.08Å; A284-V286 VanDerWaalsContact C-N 3.27Å; A284-V286 PolarHBondContact O-N 3.11Å
287	N	42.4	Very low	36.7	Very low	117 Å²	117	138.8 Å²	138.8	63%	0.626	72%	0.719	S	S	*	*	H	α-helix	trans	-91	-19.9	-178.2	-86.9	-9.4	0	0	0	115.6	E283 A284	E283-N287 PolarHBondContact O-N 2.89Å; A284-N287 PolarHBondContact O-N 3.38Å
288	S	45.9	Very low	36.7	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-0.3	179.4	75.8	0	0	0	0	114.7	A284	A284-S288 WeakPolarHBondContact O-CB 3.45Å; A284-S288 PolarHBondContact O-N 3.23Å; A284-S288 PolarHBondContact O-OG 2.83Å
289	G	35.7	Very low	36.5	Very low	46 Å²	46	136.3 Å²	136.3	47%	0.474	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104	-33.9	-171.4	0	0	0	0	0	117.4
290	Y	33.9	Very low	36	Very low	223 Å²	223	137.2 Å²	137.2	88%	0.875	72%	0.719	S	S	*	*	S	Bend	trans	-146.2	8.4	-165.4	-92.6	-80.2	0	0	0	118.4
291	Q	37.6	Very low	35.6	Very low	139 Å²	139	141 Å²	141	65%	0.65	73%	0.733	S	S	*	*	S	Bend	trans	-121	18.6	-171.6	-132.6	171.5	6.7	0	0	118.3
292	R	32.7	Very low	35.1	Very low	242 Å²	242	138.8 Å²	138.8	91%	0.913	73%	0.73	S	S	*	*	S	Bend	trans	-114.6	3.1	174	-105.3	-173.6	-174.5	179.7	3.5	118.1
293	I	34.2	Very low	35	Very low	177 Å²	177	137.2 Å²	137.2	91%	0.908	74%	0.736	S	S	*	*	S	Bend	trans	-102.9	-10	175.8	-42.2	-177.6	0	0	0	113
294	S	40.1	Very low	34.8	Very low	87 Å²	87	136.2 Å²	136.2	61%	0.608	74%	0.742	S	S	*	*	S	Bend	trans	-108.3	-4.1	-177.6	57.1	0	0	0	0	116.9
295	N	33	Very low	34.2	Very low	135 Å²	135	137 Å²	137	72%	0.722	76%	0.756	S	S	*	*			trans	-138.1	65.7	178.5	-83.2	-34.1	0	0	0	113.6
296	G	30.4	Very low	33.9	Very low	78 Å²	78	140.7 Å²	140.7	80%	0.804	77%	0.767	S	S	*	*			trans	-96	45.6	160.9	0	0	0	0	0	112.4
297	R	26.7	Very low	34	Very low	236 Å²	236	145.1 Å²	145.1	89%	0.891	80%	0.798	S	S	*	*			trans	-97.5	77.2	164.2	-162.3	179	-164.9	178	4.4	108	K299	R297-K299 PolarHBondContact O-N 3.18Å
298	I	33.6	Very low	33.6	Very low	159 Å²	159	146.6 Å²	146.6	82%	0.815	81%	0.806	S	S	*	*			trans	-79.7	101.3	171.9	-62.6	179.5	0	0	0	107.8
299	K	30.6	Very low	33	Very low	182 Å²	182	148.8 Å²	148.8	79%	0.791	81%	0.811	S	S	*	*			trans	13	116.5	136.5	-63.2	172.8	176.6	177.8	0	113.7	R297	R297-K299 PolarHBondContact O-N 3.18Å
300	G	30.2	Very low	32.8	Very low	81 Å²	81	154.5 Å²	154.5	84%	0.835	83%	0.829	S	S	*	*				64.2	62.5	58.7	0	0	0	0	0	109.7
301	L	30.4	Very low	32.7	Very low	152 Å²	152	150.5 Å²	150.5	80%	0.796	83%	0.827	S	S	*	*			trans	-123.9	107	176.7	-158.6	75	0	0	0	109.9
302	H	28.6	Very low	32.4	Very low	158 Å²	158	151.2 Å²	151.2	73%	0.731	84%	0.838	S	S	*	*			trans	53.9	96.1	153.6	-69.6	-70.4	0	0	0	120.1
303	T	31.1	Very low	32.4	Very low	150 Å²	150	145.1 Å²	145.1	92%	0.92	83%	0.833	S	S	*	*			trans	-103.2	97.2	132.9	54.8	0	0	0	0	108
304	S	31.7	Very low	32.3	Very low	106 Å²	106	142.9 Å²	142.9	74%	0.741	83%	0.827	S	S	*	*			trans	-107.1	145	152.4	70.9	0	0	0	0	108.2
305	G	30.7	Very low	31.7	Very low	72 Å²	72	147.2 Å²	147.2	74%	0.742	84%	0.844	S	S	*	*			trans	92	78.6	161.7	0	0	0	0	0	115.7
306	K	30	Very low	31.6	Very low	204 Å²	204	148.2 Å²	148.2	89%	0.887	85%	0.854	S	S	*	*				-87.7	146.5	124.4	-85.7	-176.7	176.1	-179.3	0	106.5
307	P	45.2	Very low	31.7	Very low	200 Å²	200	154.5 Å²	154.5	100%	1.299	86%	0.859	S	S	*	*				-63.9	0	-128.3	28.7	-36.2	0	0	0	114.9

Retrieved 307 of 307 residues in 92.7 ms (Link to these results)

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