A0A5K4EDR3_SCHMA Loading...

GpcrRhopsn4 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EDR3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 447 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.6	Very low	50	Low	231 Å²	231	121.8 Å²	121.8	100%	1.138	64%	0.639	S	S	*	*				0	18.2	0	-84.4	170.7	83.4	0	0	114.5
2	G	48.9	Very low	50.2	Low	49 Å²	49	121.2 Å²	121.2	51%	0.505	64%	0.635	S	S	.	*			trans	-100.6	-28.5	178.1	0	0	0	0	0	115.5
3	I	51.7	Low	50.3	Low	153 Å²	153	122.2 Å²	122.2	79%	0.785	64%	0.64	S	S	*	*	H	α-helix	trans	-79.8	-29	-169.9	-59.9	169.5	0	0	0	112.2	R5	I3-R5 PolarHBondContact O-N 2.96Å
4	L	44.1	Very low	50.1	Low	135 Å²	135	123.3 Å²	123.3	71%	0.707	65%	0.645	S	S	*	*	H	α-helix	trans	-72.1	-26.7	179.4	-150.4	81.3	0	0	0	113.2
5	R	46.9	Very low	49.7	Very low	205 Å²	205	118.4 Å²	118.4	77%	0.774	62%	0.623	S	S	*	*	H	α-helix	trans	-73.1	-30.1	179.3	-76.1	-169.8	173	-169.3	-1.9	112.6	I3 L9	I3-R5 PolarHBondContact O-N 2.96Å; R5-L9 PolarHBondContact O-N 3.31Å
6	I	51.9	Low	49.3	Very low	118 Å²	118	121 Å²	121	61%	0.605	64%	0.637	S	S	*	*	H	α-helix	trans	-75.5	-35.6	-177.7	-64.2	168.1	0	0	0	110.8	T10	I6-T10 PolarHBondContact O-N 3.04Å; I6-T10 VanDerWaalsContact O-N 3.13Å; I6-T10 PolarHBondContact O-OG1 2.96Å
7	S	52.7	Low	48.6	Very low	68 Å²	68	117.8 Å²	117.8	48%	0.476	64%	0.64	S	S	.	*	H	α-helix	trans	-73.6	-30.9	-178.8	-152.5	0	0	0	0	113.6	T10 I11	S7-T10 WeakPolarHBondContact CA-OG1 3.25Å; S7-T10 PolarHBondContact O-OG1 3.31Å; S7-I11 WeakPolarHBondContact O-CD1 3.23Å; S7-I11 VanDerWaalsContact O-CG1 3.3Å; S7-I11 WeakPolarHBondContact O-CG1 3.43Å; S7-I11 PolarHBondContact O-N 3.41Å
8	I	54	Low	48.1	Very low	85 Å²	85	115 Å²	115	44%	0.436	63%	0.627	S	S	.	*	H	α-helix	trans	-76.7	-37.6	177.2	-64.8	170	0	0	0	110.5	L12	I8-L12 HydrophobicContact CG2-CD1 4.29Å; I8-L12 PolarHBondContact O-N 2.83Å
9	L	48.6	Very low	47.7	Very low	117 Å²	117	117.6 Å²	117.6	61%	0.613	64%	0.64	S	S	*	*	H	α-helix	trans	-69.7	-33.2	177.7	-133.6	89.4	0	0	0	112.3	R5 L13	R5-L9 PolarHBondContact O-N 3.31Å; L9-L13 WeakPolarHBondContact O-CD1 3.5Å; L9-L13 PolarHBondContact O-N 3.47Å
10	T	51.8	Low	47.9	Very low	71 Å²	71	113.6 Å²	113.6	44%	0.436	62%	0.62	S	S	.	*	H	α-helix	trans	-74.8	-30	178	30.6	0	0	0	0	113	I6 S7 L13 I14	I6-T10 PolarHBondContact O-N 3.04Å; I6-T10 VanDerWaalsContact O-N 3.13Å; I6-T10 PolarHBondContact O-OG1 2.96Å; S7-T10 WeakPolarHBondContact CA-OG1 3.25Å; S7-T10 PolarHBondContact O-OG1 3.31Å; T10-L13 PolarHBondContact O-N 2.9Å; T10-I14 WeakPolarHBondContact O-CD1 3.48Å; T10-I14 WeakPolarHBondContact O-CG1 3.26Å
11	I	53.2	Low	49.3	Very low	108 Å²	108	108.4 Å²	108.4	55%	0.554	59%	0.592	S	S	*	*	H	α-helix	trans	-73.4	-33.2	175.3	-68.3	167.6	0	0	0	111.3	S7 L13	S7-I11 WeakPolarHBondContact O-CD1 3.23Å; S7-I11 VanDerWaalsContact O-CG1 3.3Å; S7-I11 WeakPolarHBondContact O-CG1 3.43Å; S7-I11 PolarHBondContact O-N 3.41Å; I11-L13 VanDerWaalsContact C-N 3.29Å; I11-L13 PolarHBondContact O-N 3.14Å
12	L	52	Low	51.2	Low	114 Å²	114	97.8 Å²	97.8	60%	0.597	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-13	174.7	-93.6	152.3	0	0	0	114.5	I8 T15	I8-L12 HydrophobicContact CG2-CD1 4.29Å; I8-L12 PolarHBondContact O-N 2.83Å; L12-T15 PolarHBondContact O-OG1 3.04Å
13	L	51.2	Low	53.2	Low	134 Å²	134	96.5 Å²	96.5	70%	0.702	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-0.8	-178.3	-97.4	153.8	0	0	0	113.6	L9 T10 I11	L9-L13 WeakPolarHBondContact O-CD1 3.5Å; L9-L13 PolarHBondContact O-N 3.47Å; T10-L13 PolarHBondContact O-N 2.9Å; I11-L13 VanDerWaalsContact C-N 3.29Å; I11-L13 PolarHBondContact O-N 3.14Å
14	I	48.4	Very low	55.1	Low	138 Å²	138	94.7 Å²	94.7	71%	0.708	51%	0.507	S	S	*	.	S	Bend	trans	-103.4	3.6	-179.7	-59.5	168.2	0	0	0	111.8	T10 N16	T10-I14 WeakPolarHBondContact O-CD1 3.48Å; T10-I14 WeakPolarHBondContact O-CG1 3.26Å; I14-N16 VanDerWaalsContact C-N 3.31Å; I14-N16 PolarHBondContact O-N 2.97Å
15	T	44.2	Very low	57.4	Low	50 Å²	50	89.3 Å²	89.3	31%	0.307	48%	0.484	S	S	.	.			trans	-87.9	66.2	-177.6	54.2	0	0	0	0	112.2	L12 E319	L12-T15 PolarHBondContact O-OG1 3.04Å; T15-E319 VanDerWaalsContact CB-CD 3.48Å; T15-E319 WeakPolarHBondContact CB-OE1 3.41Å; T15-E319 WeakPolarHBondContact CB-OE2 3.5Å; T15-E319 HydrophobicContact CG2-CG 4.38Å; T15-E319 WeakPolarHBondContact CG2-OE2 3.34Å; T15-E319 PolarHBondContact OG1-OE2 2.86Å
16	N	42.2	Very low	59.6	Low	160 Å²	160	85.5 Å²	85.5	86%	0.856	47%	0.473	S	S	*	.			trans	-90.5	114.4	164.5	-84.3	-30.7	0	0	0	110	I14	I14-N16 VanDerWaalsContact C-N 3.31Å; I14-N16 PolarHBondContact O-N 2.97Å
17	G	38.1	Very low	61.6	Low	67 Å²	67	80.4 Å²	80.4	69%	0.691	45%	0.446	S	S	*	.			trans	93.7	59.2	141.1	0	0	0	0	0	117.4
18	V	40.4	Very low	63.4	Low	67 Å²	67	79.4 Å²	79.4	41%	0.406	44%	0.436	S	S	.	.			trans	7.6	121.1	141.8	-159.7	0	0	0	0	117.4	T20	V18-T20 HydrophobicContact CB-CG2 3.76Å; V18-T20 HydrophobicContact CG1-CG2 3.24Å; V18-T20 PolarHBondContact O-N 2.78Å
19	N	40.5	Very low	65	Low	164 Å²	164	75.5 Å²	75.5	88%	0.877	42%	0.416	S	S	*	.			trans	-61.2	83.8	155.3	-76.4	-19.8	0	0	0	108.6
20	T	50.1	Low	66.8	Low	37 Å²	37	72.3 Å²	72.3	23%	0.227	40%	0.404	C	S	.	.			trans	-101.6	147.9	173.1	49.6	0	0	0	0	109.7	V18 H22 R312	V18-T20 HydrophobicContact CB-CG2 3.76Å; V18-T20 HydrophobicContact CG1-CG2 3.24Å; V18-T20 PolarHBondContact O-N 2.78Å; T20-H22 PolarHBondContact O-N 3.26Å; T20-H22 PolarHBondContact OG1-O 2.74Å; T20-H22 VanDerWaalsContact OG1-O 3.05Å; T20-R312 HydrophobicContact CG2-CB 4.42Å
21	L	77.4	Confident	68.6	Low	6 Å²	6	73.5 Å²	73.5	3%	0.031	41%	0.407	C	S	.	.	S	Bend	trans	-63.7	-20.4	170.1	-164	68.4	0	0	0	113.7	F39 L229 V230 H245 F307 G311	L21-F39 HydrophobicContact CD1-CD2 3.75Å; L21-F39 HydrophobicContact CD1-CE2 3.02Å; L21-F39 HydrophobicContact CD1-CZ 3.5Å; L21-L229 HydrophobicContact CD1-CB 4.44Å; L21-L229 WeakPolarHBondContact CD1-O 3.49Å; L21-L229 WeakPolarHBondContact CD2-O 3.29Å; L21-L229 WeakPolarHBondContact CG-O 3.29Å; L21-L229 PolarHBondContact O-N 2.98Å; L21-V230 HydrophobicContact CD2-CG1 3.79Å; L21-H245 WeakPolarHBondContact CD1-O 3.38Å; L21-H245 HydrophobicContact CD2-CB 3.6Å; L21-H245 WeakPolarHBondContact CD2-ND1 3.15Å; L21-H245 VanDerWaalsContact CD2-O 3.24Å; L21-H245 WeakPolarHBondContact CD2-O 3.44Å; L21-F307 HydrophobicContact CB-CZ 4.16Å; L21-G311 WeakPolarHBondContact CB-O 3.43Å; L21-G311 PolarHBondContact N-O 3.48Å
22	H	87.5	Confident	70.4	Confident	8 Å²	8	73.3 Å²	73.3	4%	0.037	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	98.8	-168.5	167.1	-119.6	0	0	0	108.8	T20 K24 D226 I227 W228 R312	T20-H22 PolarHBondContact O-N 3.26Å; T20-H22 PolarHBondContact OG1-O 2.74Å; T20-H22 VanDerWaalsContact OG1-O 3.05Å; H22-K24 WeakPolarHBondContact CE1-CD 3.31Å; H22-K24 WeakPolarHBondContact CE1-CE 3.09Å; H22-K24 PolarHBondContact CE1-NZ 2.92Å; H22-K24 VanDerWaalsContact CE1-NZ 3.34Å; H22-K24 WeakPolarHBondContact NE2-CE 3.28Å; H22-K24 PolarHBondContact NE2-NZ 2.78Å; H22-K24 PolarHBondContact O-N 3.03Å; H22-D226 IonicContact CD2-OD1 3.31Å; H22-D226 PolarHBondContact CD2-OD1 3.27Å; H22-D226 VanDerWaalsContact CD2-OD1 3.31Å; H22-D226 IonicContact NE2-OD1 3.85Å; H22-D226 PolarHBondContact NE2-OD1 3.17Å; H22-D226 IonicContact NE2-OD2 2.64Å; H22-I227 CarbonylContact C-O 3.49Å; H22-I227 WeakPolarHBondContact CA-O 3.26Å; H22-W228 HydrophobicContact CB-CD2 3.94Å; H22-W228 HydrophobicContact CB-CE3 3.67Å; H22-W228 HydrophobicContact CB-CH2 3.8Å; H22-W228 HydrophobicContact CB-CZ2 4.05Å; H22-W228 HydrophobicContact CB-CZ3 3.6Å; H22-W228 AromaticContact CD2-CD1 3.78Å; H22-W228 AromaticContact CD2-CD2 3.56Å; H22-W228 AromaticContact CD2-CE2 3.03Å; H22-W228 AromaticContact CD2-CH2 3.95Å; H22-W228 AromaticContact CD2-CZ2 3.27Å; H22-W228 WeakPolarHBondContact CD2-CZ2 3.23Å; H22-W228 AromaticContact CD2-NE1 3.17Å; H22-W228 PolarHBondContact CD2-NE1 3.29Å; H22-W228 AromaticContact CE1-CZ2 3.91Å; H22-W228 AromaticContact CG-CD2 3.94Å; H22-W228 AromaticContact CG-CE2 3.61Å; H22-W228 AromaticContact CG-CH2 3.66Å; H22-W228 AromaticContact CG-CZ2 3.47Å; H22-W228 VanDerWaalsContact CG-CZ2 3.47Å; H22-W228 AromaticContact CG-CZ3 3.97Å; H22-W228 AromaticContact ND1-CZ2 3.9Å; H22-W228 AromaticContact NE2-CE2 3.56Å; H22-W228 AromaticContact NE2-CZ2 3.49Å; H22-W228 WeakPolarHBondContact NE2-CZ2 3.19Å; H22-W228 AromaticContact NE2-NE1 3.53Å; H22-R312 HydrophobicContact CB-CG 4.38Å; H22-R312 PolarHBondContact CE1-NE 3.28Å; H22-R312 VanDerWaalsContact CE1-NE 3.35Å; H22-R312 PolarHBondContact CE1-NH2 2.65Å; H22-R312 PolarHBondContact ND1-NE 3.28Å
23	L	90.5	Very high	72.4	Confident	21 Å²	21	69.7 Å²	69.7	11%	0.11	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.7	-175.4	-51.7	179.1	0	0	0	109.2	L36 T37 L185 Y225 D226 I227 L229	L23-L36 HydrophobicContact CD1-CB 3.9Å; L23-T37 HydrophobicContact CD1-CG2 3.53Å; L23-T37 HydrophobicContact CD2-CG2 4.39Å; L23-T37 HydrophobicContact CG-CG2 4.4Å; L23-L185 HydrophobicContact CD1-CD2 4.25Å; L23-Y225 HydrophobicContact CB-CD2 4.29Å; L23-Y225 HydrophobicContact CB-CE2 4.03Å; L23-D226 WeakPolarHBondContact O-CA 3.48Å; L23-I227 HydrophobicContact CB-CB 4.44Å; L23-I227 PolarHBondContact N-O 3.24Å; L23-I227 PolarHBondContact O-N 3.07Å; L23-L229 HydrophobicContact CD1-CD1 3.77Å; L23-L229 HydrophobicContact CG-CD1 3.94Å
24	K	91.7	Very high	74.5	Confident	115 Å²	115	65.6 Å²	65.6	50%	0.5	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.6	169.6	-76.6	-168.2	158.4	159.1	0	110.3	H22 Y225 D226	H22-K24 WeakPolarHBondContact CE1-CD 3.31Å; H22-K24 WeakPolarHBondContact CE1-CE 3.09Å; H22-K24 PolarHBondContact CE1-NZ 2.92Å; H22-K24 VanDerWaalsContact CE1-NZ 3.34Å; H22-K24 WeakPolarHBondContact NE2-CE 3.28Å; H22-K24 PolarHBondContact NE2-NZ 2.78Å; H22-K24 PolarHBondContact O-N 3.03Å; K24-Y225 WeakPolarHBondContact CA-O 3.43Å; K24-D226 VanDerWaalsContact CE-OD1 3.29Å; K24-D226 WeakPolarHBondContact CE-OD1 3.08Å; K24-D226 WeakPolarHBondContact CE-OD2 3.22Å; K24-D226 HydrophobicContact CG-CB 4.42Å; K24-D226 IonicContact NZ-OD1 3.98Å; K24-D226 IonicContact NZ-OD2 3.26Å; K24-D226 PolarHBondContact NZ-OD2 3.31Å
25	G	92.4	Very high	76.7	Confident	22 Å²	22	63.3 Å²	63.3	23%	0.227	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	-178.3	177.3	0	0	0	0	0	113.8	I224 Y225	G25-I224 WeakPolarHBondContact O-CA 2.75Å; G25-Y225 VanDerWaalsContact CA-CZ 3.45Å; G25-Y225 VanDerWaalsContact N-CE2 3.33Å; G25-Y225 PolarHBondContact N-O 3.32Å; G25-Y225 PolarHBondContact O-N 3.34Å
26	K	93.1	Very high	79.1	Confident	125 Å²	125	62 Å²	62	54%	0.543	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.5	177.4	-59.5	-171.9	-179.1	176.5	0	108.3	E63 T222 V223 I224	K26-E63 WeakPolarHBondContact CE-OE1 3.41Å; K26-E63 IonicContact NZ-OE1 3.97Å; K26-E63 PolarHBondContact NZ-OE1 3.07Å; K26-E63 IonicContact NZ-OE2 2.72Å; K26-T222 HydrophobicContact CB-CG2 3.8Å; K26-T222 HydrophobicContact CD-CG2 4.41Å; K26-T222 HydrophobicContact CG-CG2 4.47Å; K26-V223 CarbonylContact C-O 3.56Å; K26-V223 VanDerWaalsContact CA-O 3.28Å; K26-V223 WeakPolarHBondContact CA-O 3.18Å; K26-I224 HydrophobicContact CG-CG1 4.19Å
27	W	93.6	Very high	81.5	Confident	11 Å²	11	55.7 Å²	55.7	4%	0.042	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.7	179.6	175.2	64.8	0	0	0	110.1	P29 N31 L34 A76 L187 A189 V223 Y225	W27-P29 HydrophobicContact CE3-CG 4.2Å; W27-P29 HydrophobicContact CH2-CB 4.08Å; W27-P29 HydrophobicContact CH2-CG 4.43Å; W27-P29 HydrophobicContact CZ3-CB 4.08Å; W27-P29 HydrophobicContact CZ3-CG 3.93Å; W27-N31 WeakPolarHBondContact CZ2-O 3.34Å; W27-N31 PolarHBondContact NE1-O 3.37Å; W27-L34 HydrophobicContact CB-CD2 3.68Å; W27-L34 HydrophobicContact CD2-CB 4.42Å; W27-L34 HydrophobicContact CD2-CD2 4.5Å; W27-L34 HydrophobicContact CG-CB 4.13Å; W27-L34 HydrophobicContact CG-CD2 3.61Å; W27-L34 HydrophobicContact CG-CG 4.5Å; W27-A76 HydrophobicContact CH2-CB 3.77Å; W27-A76 HydrophobicContact CZ3-CB 3.46Å; W27-A76 VanDerWaalsContact CZ3-CB 3.46Å; W27-L187 HydrophobicContact CB-CD1 4.34Å; W27-L187 HydrophobicContact CD2-CB 4.15Å; W27-L187 HydrophobicContact CD2-CD1 4.22Å; W27-L187 HydrophobicContact CE3-CB 3.97Å; W27-L187 HydrophobicContact CE3-CD1 3.91Å; W27-L187 HydrophobicContact CE3-CG 4.4Å; W27-L187 HydrophobicContact CG-CD1 4.45Å; W27-L187 HydrophobicContact CH2-CB 4.11Å; W27-L187 HydrophobicContact CZ2-CB 4.28Å; W27-L187 HydrophobicContact CZ3-CB 3.96Å; W27-A189 HydrophobicContact CH2-CB 3.88Å; W27-A189 HydrophobicContact CZ2-CB 4.17Å; W27-V223 HydrophobicContact CE3-CB 4.13Å; W27-V223 HydrophobicContact CE3-CG2 4.11Å; W27-V223 HydrophobicContact CZ3-CG2 4.39Å; W27-V223 PolarHBondContact N-O 3.45Å; W27-V223 PolarHBondContact O-N 2.87Å; W27-Y225 HydrophobicContact CB-CE1 4.27Å
28	D	90.5	Very high	84.1	Confident	48 Å²	48	58 Å²	58	26%	0.257	29%	0.291	S	S	.	.			trans	-92.4	117.8	172.8	177	-1.9	0	0	0	108.3	S30 N31	D28-S30 PolarHBondContact O-N 2.92Å; D28-S30 VanDerWaalsContact O-N 3.08Å; D28-S30 VanDerWaalsContact OD1-CB 3.25Å; D28-S30 WeakPolarHBondContact OD1-CB 3.4Å; D28-S30 PolarHBondContact OD1-N 2.9Å; D28-S30 PolarHBondContact OD1-OG 3.03Å; D28-S30 VanDerWaalsContact OD1-OG 3.1Å; D28-S30 PolarHBondContact OD2-OG 3.13Å; D28-N31 VanDerWaalsContact O-CB 3.32Å; D28-N31 WeakPolarHBondContact O-CB 3.39Å; D28-N31 PolarHBondContact O-N 3.28Å
29	P	88.7	Confident	86.6	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.019	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-15.1	176.9	-22.8	34.7	0	0	0	114.6	W27 N31 I75 A189 A203 L221 V223	W27-P29 HydrophobicContact CE3-CG 4.2Å; W27-P29 HydrophobicContact CH2-CB 4.08Å; W27-P29 HydrophobicContact CH2-CG 4.43Å; W27-P29 HydrophobicContact CZ3-CB 4.08Å; W27-P29 HydrophobicContact CZ3-CG 3.93Å; P29-N31 PolarHBondContact O-N 2.91Å; P29-I75 HydrophobicContact CG-CD1 3.78Å; P29-I75 HydrophobicContact CG-CG1 4.01Å; P29-A189 HydrophobicContact CB-CB 4.17Å; P29-A189 WeakPolarHBondContact O-CB 3.27Å; P29-A203 WeakPolarHBondContact O-CA 3.08Å; P29-A203 WeakPolarHBondContact O-CB 3.19Å; P29-L221 WeakPolarHBondContact CD-O 3.32Å; P29-V223 HydrophobicContact CG-CG2 3.93Å
30	S	85.8	Confident	89.1	Confident	50 Å²	50	47.5 Å²	47.5	35%	0.35	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.2	167.5	79	0	0	0	0	111.5	D28 R32	D28-S30 PolarHBondContact O-N 2.92Å; D28-S30 VanDerWaalsContact O-N 3.08Å; D28-S30 VanDerWaalsContact OD1-CB 3.25Å; D28-S30 WeakPolarHBondContact OD1-CB 3.4Å; D28-S30 PolarHBondContact OD1-N 2.9Å; D28-S30 PolarHBondContact OD1-OG 3.03Å; D28-S30 VanDerWaalsContact OD1-OG 3.1Å; D28-S30 PolarHBondContact OD2-OG 3.13Å; S30-R32 PolarHBondContact O-N 3.4Å
31	N	89	Confident	91.2	Very high	96 Å²	96	45.8 Å²	45.8	51%	0.513	22%	0.222	S	C	.	.	S	Bend	trans	-80.7	91.7	167.5	-63.7	-57.8	0	0	0	109.6	W27 D28 P29 Y33	W27-N31 WeakPolarHBondContact CZ2-O 3.34Å; W27-N31 PolarHBondContact NE1-O 3.37Å; D28-N31 VanDerWaalsContact O-CB 3.32Å; D28-N31 WeakPolarHBondContact O-CB 3.39Å; D28-N31 PolarHBondContact O-N 3.28Å; P29-N31 PolarHBondContact O-N 2.91Å; N31-Y33 PolarHBondContact O-N 3.44Å
32	R	90.2	Very high	91.8	Very high	103 Å²	103	46.4 Å²	46.4	39%	0.389	22%	0.224	S	C	.	.	S	Bend	trans	-37.8	-35.5	-173.5	-63.6	-175.1	-70.3	-132.1	11.7	117.9	S30 E115 A189 A203	S30-R32 PolarHBondContact O-N 3.4Å; R32-E115 WeakPolarHBondContact CD-OE2 3.4Å; R32-E115 IonicContact CZ-OE1 2.73Å; R32-E115 IonicContact CZ-OE2 3.37Å; R32-E115 IonicContact NE-OE2 3.84Å; R32-E115 PolarHBondContact NE-OE2 3.43Å; R32-E115 IonicContact NH1-OE1 3.93Å; R32-E115 PolarHBondContact NH1-OE1 2.83Å; R32-E115 IonicContact NH1-OE2 3.49Å; R32-E115 PolarHBondContact NH1-OE2 2.86Å; R32-A189 PolarHBondContact O-N 3.42Å; R32-A203 HydrophobicContact CB-CB 4.45Å; R32-A203 HydrophobicContact CG-CB 3.56Å
33	Y	94.1	Very high	92.1	Very high	39 Å²	39	50.1 Å²	50.1	15%	0.153	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	134.6	-174.8	177.9	-88.2	0	0	0	110.2	N31 F35 L89 Y90 A93 M122 S186 L187 V188	N31-Y33 PolarHBondContact O-N 3.44Å; Y33-F35 HydrophobicContact CE1-CB 3.9Å; Y33-L89 HydrophobicContact CE2-CD2 4.36Å; Y33-L89 HydrophobicContact CE2-CG 4.28Å; Y33-Y90 HydrophobicContact CD1-CD2 4.2Å; Y33-Y90 HydrophobicContact CD1-CE2 4.47Å; Y33-Y90 AromaticContact CE1-CD2 3.52Å; Y33-Y90 HydrophobicContact CE1-CD2 3.52Å; Y33-Y90 HydrophobicContact CE1-CE2 4.02Å; Y33-Y90 AromaticContact CZ-CD2 3.92Å; Y33-A93 HydrophobicContact CD2-CB 3.89Å; Y33-A93 HydrophobicContact CG-CB 3.9Å; Y33-M122 HydrophobicContact CD2-CE 3.93Å; Y33-S186 PolarHBondContact OH-OG 3.43Å; Y33-L187 WeakPolarHBondContact CA-O 3.5Å; Y33-V188 HydrophobicContact CD2-CG2 3.86Å; Y33-V188 HydrophobicContact CE2-CG2 4.15Å
34	L	95.1	Very high	92.1	Very high	48 Å²	48	49.3 Å²	49.3	25%	0.251	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121	169.9	173.3	65.7	0	0	0	109.4	W27 L36 S186 L187 Y225	W27-L34 HydrophobicContact CB-CD2 3.68Å; W27-L34 HydrophobicContact CD2-CB 4.42Å; W27-L34 HydrophobicContact CD2-CD2 4.5Å; W27-L34 HydrophobicContact CG-CB 4.13Å; W27-L34 HydrophobicContact CG-CD2 3.61Å; W27-L34 HydrophobicContact CG-CG 4.5Å; L34-L36 HydrophobicContact CD2-CD2 3.66Å; L34-L36 HydrophobicContact CG-CD2 4.06Å; L34-S186 CarbonylContact O-C 3.52Å; L34-S186 VanDerWaalsContact O-CA 3.28Å; L34-S186 WeakPolarHBondContact O-CA 3.43Å; L34-S186 WeakPolarHBondContact O-CB 3.42Å; L34-L187 HydrophobicContact CB-CB 4.33Å; L34-L187 HydrophobicContact CD2-CD1 4.39Å; L34-L187 PolarHBondContact N-O 2.8Å; L34-L187 PolarHBondContact O-N 2.81Å; L34-Y225 HydrophobicContact CD2-CE1 4.15Å
35	F	94.7	Very high	92.1	Very high	89 Å²	89	47.2 Å²	47.2	39%	0.39	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	122.3	165.4	178.6	-110.9	0	0	0	108.9	Y33 T37 K38 Y184	Y33-F35 HydrophobicContact CE1-CB 3.9Å; F35-T37 VanDerWaalsContact CE2-O 3.29Å; F35-T37 WeakPolarHBondContact CE2-O 3.39Å; F35-T37 WeakPolarHBondContact CZ-O 3.48Å; F35-K38 HydrophobicContact CZ-CB 4.12Å; F35-Y184 AromaticContact CE2-CD1 3.81Å; F35-Y184 HydrophobicContact CE2-CD1 3.81Å; F35-Y184 HydrophobicContact CZ-CD1 4.08Å
36	L	94.5	Very high	92	Very high	23 Å²	23	52.3 Å²	52.3	12%	0.12	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-59	-178.5	-69.8	175.7	0	0	0	111.1	L23 L34 L78 L185 L187 Y225 I227	L23-L36 HydrophobicContact CD1-CB 3.9Å; L34-L36 HydrophobicContact CD2-CD2 3.66Å; L34-L36 HydrophobicContact CG-CD2 4.06Å; L36-L78 HydrophobicContact CD1-CD1 3.88Å; L36-L185 HydrophobicContact CB-CB 4.41Å; L36-L185 HydrophobicContact CB-CD2 4.45Å; L36-L185 HydrophobicContact CB-CG 4.48Å; L36-L185 VanDerWaalsContact CB-O 3.31Å; L36-L185 WeakPolarHBondContact CB-O 3.13Å; L36-L185 HydrophobicContact CD1-CD2 3.85Å; L36-L185 HydrophobicContact CD1-CG 3.98Å; L36-L185 PolarHBondContact N-O 3.45Å; L36-L187 HydrophobicContact CD1-CD1 4.05Å; L36-L187 HydrophobicContact CD1-CG 3.88Å; L36-L187 HydrophobicContact CD2-CD1 4.13Å; L36-L187 HydrophobicContact CG-CD1 4.39Å; L36-L187 HydrophobicContact CG-CG 4.36Å; L36-Y225 HydrophobicContact CD2-CD1 4.32Å; L36-Y225 HydrophobicContact CD2-CD2 4.26Å; L36-Y225 HydrophobicContact CD2-CE1 3.74Å; L36-Y225 HydrophobicContact CD2-CE2 3.68Å; L36-I227 HydrophobicContact CD1-CD1 4.04Å
37	T	93.7	Very high	91.9	Very high	28 Å²	28	52.4 Å²	52.4	17%	0.172	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	167	179.9	-159.6	0	0	0	0	112.6	L23 F35 L185 L229	L23-T37 HydrophobicContact CD1-CG2 3.53Å; L23-T37 HydrophobicContact CD2-CG2 4.39Å; L23-T37 HydrophobicContact CG-CG2 4.4Å; F35-T37 VanDerWaalsContact CE2-O 3.29Å; F35-T37 WeakPolarHBondContact CE2-O 3.39Å; F35-T37 WeakPolarHBondContact CZ-O 3.48Å; T37-L185 HydrophobicContact CG2-CB 4.37Å; T37-L185 PolarHBondContact N-O 2.8Å; T37-L185 PolarHBondContact O-N 2.86Å; T37-L229 HydrophobicContact CG2-CD1 3.95Å; T37-L229 HydrophobicContact CG2-CD2 3.58Å; T37-L229 HydrophobicContact CG2-CG 4.46Å
38	K	93	Very high	91.6	Very high	114 Å²	114	55.6 Å²	55.6	50%	0.496	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	142.6	158.9	67.6	179.4	-173.4	173.3	0	108.5	F35 W183 Y184	F35-K38 HydrophobicContact CZ-CB 4.12Å; K38-W183 CarbonylContact C-O 3.53Å; K38-W183 WeakPolarHBondContact CA-O 3.48Å; K38-Y184 HydrophobicContact CB-CD1 3.81Å; K38-Y184 HydrophobicContact CB-CE1 3.82Å
39	F	93.3	Very high	91.6	Very high	12 Å²	12	56 Å²	56	5%	0.053	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	136.1	174.4	-168.8	-98.5	0	0	0	110.5	L21 F41 Y182 W183 L229 N231 F246 S247	L21-F39 HydrophobicContact CD1-CD2 3.75Å; L21-F39 HydrophobicContact CD1-CE2 3.02Å; L21-F39 HydrophobicContact CD1-CZ 3.5Å; F39-F41 AromaticContact CD1-CD1 3.62Å; F39-F41 HydrophobicContact CD1-CD1 3.62Å; F39-F41 HydrophobicContact CD1-CD2 4.31Å; F39-F41 AromaticContact CD1-CE1 3.33Å; F39-F41 HydrophobicContact CD1-CE1 3.33Å; F39-F41 HydrophobicContact CD1-CE2 4.06Å; F39-F41 HydrophobicContact CD1-CG 4.12Å; F39-F41 AromaticContact CD1-CZ 3.56Å; F39-F41 HydrophobicContact CD1-CZ 3.56Å; F39-F41 AromaticContact CE1-CD1 3.6Å; F39-F41 HydrophobicContact CE1-CD1 3.6Å; F39-F41 AromaticContact CE1-CE1 3.48Å; F39-F41 HydrophobicContact CE1-CE1 3.48Å; F39-F41 VanDerWaalsContact CE1-CE1 3.48Å; F39-F41 HydrophobicContact CE1-CG 4.42Å; F39-F41 HydrophobicContact CE1-CZ 4.19Å; F39-F41 HydrophobicContact CG-CZ 4.49Å; F39-Y182 WeakPolarHBondContact O-CA 3.39Å; F39-W183 PolarHBondContact N-O 3.23Å; F39-W183 PolarHBondContact O-N 3.47Å; F39-L229 HydrophobicContact CB-CB 4.33Å; F39-L229 HydrophobicContact CB-CD2 3.66Å; F39-L229 HydrophobicContact CD1-CB 4.2Å; F39-L229 HydrophobicContact CD2-CB 4.34Å; F39-L229 HydrophobicContact CG-CB 4.02Å; F39-L229 HydrophobicContact CG-CD2 4.28Å; F39-N231 WeakPolarHBondContact CE1-ND2 3.13Å; F39-F246 WeakPolarHBondContact CZ-O 3.5Å; F39-S247 VanDerWaalsContact CE2-CA 3.42Å; F39-S247 VanDerWaalsContact CE2-CB 3.48Å; F39-S247 VanDerWaalsContact CZ-CA 3.47Å
40	G	92.6	Very high	91.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111.3	178.1	0	0	0	0	0	110.3	R181 N231 S247 F248	G40-R181 WeakPolarHBondContact CA-O 3.34Å; G40-N231 PolarHBondContact O-ND2 2.65Å; G40-S247 WeakPolarHBondContact CA-OG 3.34Å; G40-S247 PolarHBondContact N-OG 3.27Å; G40-S247 PolarHBondContact O-OG 3.43Å; G40-F248 VanDerWaalsContact C-CD1 3.5Å; G40-F248 PolarHBondContact O-N 2.74Å
41	F	93.5	Very high	91.8	Very high	1 Å²	1	59.5 Å²	59.5	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	140.8	170.5	-64.1	-68.5	0	0	0	110.8	F39 G54 I56 V174 P180 R181 W183 V230 N231	F39-F41 AromaticContact CD1-CD1 3.62Å; F39-F41 HydrophobicContact CD1-CD1 3.62Å; F39-F41 HydrophobicContact CD1-CD2 4.31Å; F39-F41 AromaticContact CD1-CE1 3.33Å; F39-F41 HydrophobicContact CD1-CE1 3.33Å; F39-F41 HydrophobicContact CD1-CE2 4.06Å; F39-F41 HydrophobicContact CD1-CG 4.12Å; F39-F41 AromaticContact CD1-CZ 3.56Å; F39-F41 HydrophobicContact CD1-CZ 3.56Å; F39-F41 AromaticContact CE1-CD1 3.6Å; F39-F41 HydrophobicContact CE1-CD1 3.6Å; F39-F41 AromaticContact CE1-CE1 3.48Å; F39-F41 HydrophobicContact CE1-CE1 3.48Å; F39-F41 VanDerWaalsContact CE1-CE1 3.48Å; F39-F41 HydrophobicContact CE1-CG 4.42Å; F39-F41 HydrophobicContact CE1-CZ 4.19Å; F39-F41 HydrophobicContact CG-CZ 4.49Å; F41-G54 VanDerWaalsContact CE1-CA 3.5Å; F41-I56 HydrophobicContact CE2-CD1 3.94Å; F41-I56 HydrophobicContact CE2-CG1 4.19Å; F41-I56 HydrophobicContact CZ-CD1 3.77Å; F41-I56 HydrophobicContact CZ-CG1 3.53Å; F41-V174 HydrophobicContact CB-CG1 4.29Å; F41-V174 HydrophobicContact CD2-CB 3.95Å; F41-V174 HydrophobicContact CD2-CG1 3.72Å; F41-V174 HydrophobicContact CD2-CG2 4.02Å; F41-V174 HydrophobicContact CE2-CB 4.18Å; F41-V174 HydrophobicContact CE2-CG1 4.37Å; F41-V174 HydrophobicContact CE2-CG2 3.8Å; F41-V174 HydrophobicContact CG-CB 4.34Å; F41-V174 HydrophobicContact CG-CG1 4.15Å; F41-V174 HydrophobicContact CZ-CG2 4.44Å; F41-P180 VanDerWaalsContact O-CA 3.25Å; F41-P180 WeakPolarHBondContact O-CA 3.33Å; F41-P180 VanDerWaalsContact O-CB 3.24Å; F41-P180 WeakPolarHBondContact O-CB 3.42Å; F41-R181 PolarHBondContact N-O 2.89Å; F41-R181 PolarHBondContact O-N 2.8Å; F41-W183 HydrophobicContact CD2-CB 3.94Å; F41-W183 AromaticContact CD2-CD1 3.52Å; F41-W183 AromaticContact CD2-CG 3.81Å; F41-W183 HydrophobicContact CD2-CG 3.81Å; F41-W183 HydrophobicContact CE2-CB 3.8Å; F41-W183 HydrophobicContact CE2-CG 4.05Å; F41-V230 VanDerWaalsContact CE1-O 3.3Å; F41-V230 WeakPolarHBondContact CE1-O 3.21Å; F41-N231 WeakPolarHBondContact CA-OD1 3.35Å
42	Q	91.1	Very high	91.8	Very high	18 Å²	18	55.1 Å²	55.1	8%	0.084	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-68.6	163.5	175.6	71.4	-174.2	53.7	0	0	111.1	T44 T52 N231 F248 H251	Q42-T44 PolarHBondContact O-N 3.48Å; Q42-T52 WeakPolarHBondContact CG-O 3.07Å; Q42-N231 HydrophobicContact CG-CB 4.39Å; Q42-N231 PolarHBondContact N-OD1 3.31Å; Q42-F248 HydrophobicContact CB-CB 4.37Å; Q42-H251 PolarHBondContact OE1-CE1 2.94Å; Q42-H251 VanDerWaalsContact OE1-CE1 3.29Å
43	R	92.1	Very high	92	Very high	87 Å²	87	53 Å²	53	33%	0.328	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-63.5	127.3	171.8	-172.2	-169.8	75.2	-179.7	5.3	109.3	Q45 D176 L177	R43-Q45 PolarHBondContact O-N 3.06Å; R43-D176 CarbonylContact C-O 3.55Å; R43-D176 WeakPolarHBondContact CA-O 3.22Å; R43-D176 WeakPolarHBondContact CG-O 3.44Å; R43-L177 WeakPolarHBondContact CD-O 3.4Å
44	T	92.1	Very high	92	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.018	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-70.2	127.2	172.3	-52.8	0	0	0	0	110.2	Q42 L49 R53 Q175 D176 L177	Q42-T44 PolarHBondContact O-N 3.48Å; T44-L49 HydrophobicContact CG2-CD2 3.7Å; T44-R53 HydrophobicContact CG2-CG 3.58Å; T44-Q175 HydrophobicContact CG2-CG 4.07Å; T44-D176 PolarHBondContact N-O 3.45Å; T44-D176 PolarHBondContact OG1-N 3.37Å; T44-D176 VanDerWaalsContact OG1-N 3.16Å; T44-L177 HydrophobicContact CG2-CD2 4.21Å
45	Q	91.7	Very high	92	Very high	71 Å²	71	49.5 Å²	49.5	33%	0.332	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-94.6	139	175.1	-48.6	-166.3	50.8	0	0	109.4	R43 D47 E48 L49 T52	R43-Q45 PolarHBondContact O-N 3.06Å; Q45-D47 VanDerWaalsContact C-N 3.34Å; Q45-D47 WeakPolarHBondContact CB-OD1 3.32Å; Q45-E48 CarbonylContact O-C 3.51Å; Q45-E48 PolarHBondContact O-N 3.5Å; Q45-L49 WeakPolarHBondContact O-CA 3.35Å; Q45-L49 PolarHBondContact O-N 2.82Å; Q45-T52 HydrophobicContact CB-CG2 4.19Å; Q45-T52 HydrophobicContact CG-CG2 3.98Å; Q45-T52 PolarHBondContact N-OG1 3.02Å; Q45-T52 PolarHBondContact O-OG1 3.43Å
46	I	90.4	Very high	92	Very high	130 Å²	130	45.3 Å²	45.3	67%	0.667	22%	0.216	S	C	*	.	S	Bend	trans	-73.8	-31.2	-172.1	-63.2	172.1	0	0	0	111.3	L177	I46-L177 HydrophobicContact CG1-CD2 3.9Å
47	D	90.4	Very high	92.1	Very high	126 Å²	126	45.4 Å²	45.4	67%	0.674	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-29.7	175	51.1	-26.8	0	0	0	112.9	Q45	Q45-D47 VanDerWaalsContact C-N 3.34Å; Q45-D47 WeakPolarHBondContact CB-OD1 3.32Å
48	E	88	Confident	92.1	Very high	79 Å²	79	44.2 Å²	44.2	37%	0.369	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	53	-176.4	-62.9	-174.1	175.7	0	0	111.8	Q45 E50 A51 T52	Q45-E48 CarbonylContact O-C 3.51Å; Q45-E48 PolarHBondContact O-N 3.5Å; E48-E50 PolarHBondContact O-N 2.82Å; E48-A51 HydrophobicContact CB-CB 4.33Å; E48-A51 PolarHBondContact O-N 3.41Å; E48-T52 HydrophobicContact CB-CG2 4Å; E48-T52 WeakPolarHBondContact O-CB 3.26Å; E48-T52 WeakPolarHBondContact O-CG2 3.17Å; E48-T52 PolarHBondContact O-N 2.9Å; E48-T52 VanDerWaalsContact O-N 3.07Å; E48-T52 PolarHBondContact O-OG1 3.31Å
49	L	90.3	Very high	92.2	Very high	57 Å²	57	40.5 Å²	40.5	30%	0.298	20%	0.196	S	C	.	.	H	α-helix	trans	-53.4	-51.6	-174.3	-71.9	169.2	0	0	0	112.5	T44 Q45 A51 T52 R53	T44-L49 HydrophobicContact CG2-CD2 3.7Å; Q45-L49 WeakPolarHBondContact O-CA 3.35Å; Q45-L49 PolarHBondContact O-N 2.82Å; L49-A51 PolarHBondContact O-N 3.32Å; L49-T52 PolarHBondContact O-N 3.23Å; L49-R53 WeakPolarHBondContact O-CB 3.4Å; L49-R53 WeakPolarHBondContact O-CD 3.23Å; L49-R53 WeakPolarHBondContact O-CG 3.4Å; L49-R53 PolarHBondContact O-N 3.47Å
50	E	89	Confident	92.2	Very high	114 Å²	114	40 Å²	40	53%	0.533	19%	0.193	S	C	.	.	H	α-helix	trans	-65.4	-38.3	-176.6	-68	175.5	-178	0	0	112.3	E48 T52 G232 E233 L236	E48-E50 PolarHBondContact O-N 2.82Å; E50-T52 VanDerWaalsContact C-N 3.32Å; E50-T52 PolarHBondContact O-N 3.12Å; E50-G232 CarbonylContact O-C 3.49Å; E50-G232 WeakPolarHBondContact O-CA 3.5Å; E50-E233 PolarHBondContact O-N 2.99Å; E50-L236 HydrophobicContact CB-CD1 3.99Å
51	A	88.4	Confident	92	Very high	12 Å²	12	41.9 Å²	41.9	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-78.2	-15.2	-178.7	0	0	0	0	0	113.6	E48 L49 G232 L236 F239	E48-A51 HydrophobicContact CB-CB 4.33Å; E48-A51 PolarHBondContact O-N 3.41Å; L49-A51 PolarHBondContact O-N 3.32Å; A51-G232 VanDerWaalsContact C-CA 3.49Å; A51-G232 WeakPolarHBondContact O-CA 3.42Å; A51-L236 HydrophobicContact CB-CD1 4.33Å; A51-F239 HydrophobicContact CB-CD1 3.86Å; A51-F239 HydrophobicContact CB-CE1 3.95Å
52	T	90.3	Very high	91.8	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-124.1	-4.4	-171	65.4	0	0	0	0	115.2	Q42 Q45 E48 L49 E50	Q42-T52 WeakPolarHBondContact CG-O 3.07Å; Q45-T52 HydrophobicContact CB-CG2 4.19Å; Q45-T52 HydrophobicContact CG-CG2 3.98Å; Q45-T52 PolarHBondContact N-OG1 3.02Å; Q45-T52 PolarHBondContact O-OG1 3.43Å; E48-T52 HydrophobicContact CB-CG2 4Å; E48-T52 WeakPolarHBondContact O-CB 3.26Å; E48-T52 WeakPolarHBondContact O-CG2 3.17Å; E48-T52 PolarHBondContact O-N 2.9Å; E48-T52 VanDerWaalsContact O-N 3.07Å; E48-T52 PolarHBondContact O-OG1 3.31Å; L49-T52 PolarHBondContact O-N 3.23Å; E50-T52 VanDerWaalsContact C-N 3.32Å; E50-T52 PolarHBondContact O-N 3.12Å
53	R	93.2	Very high	91.4	Very high	59 Å²	59	46.2 Å²	46.2	22%	0.223	23%	0.225	C	C	.	.	S	Bend	trans	-72.2	153.3	169.2	-80.9	168.7	175.7	169.6	-0.3	111.6	T44 L49 Y55 V173 Q175 G232	T44-R53 HydrophobicContact CG2-CG 3.58Å; L49-R53 WeakPolarHBondContact O-CB 3.4Å; L49-R53 WeakPolarHBondContact O-CD 3.23Å; L49-R53 WeakPolarHBondContact O-CG 3.4Å; L49-R53 PolarHBondContact O-N 3.47Å; R53-Y55 HydrophobicContact CB-CD2 4.47Å; R53-Y55 HydrophobicContact CB-CE2 3.83Å; R53-V173 HydrophobicContact CB-CG1 4.35Å; R53-V173 HydrophobicContact CG-CG1 4.45Å; R53-Q175 HydrophobicContact CG-CB 4.29Å; R53-G232 VanDerWaalsContact O-CA 3.29Å; R53-G232 WeakPolarHBondContact O-CA 3.24Å; R53-G232 PolarHBondContact O-N 2.86Å
54	G	94	Very high	90.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	143.5	168.3	0	0	0	0	0	111.7	F41 V174 V230	F41-G54 VanDerWaalsContact CE1-CA 3.5Å; G54-V174 PolarHBondContact N-O 2.89Å; G54-V174 PolarHBondContact O-N 3.23Å; G54-V230 WeakPolarHBondContact CA-O 3.34Å
55	Y	95.2	Very high	88.4	Confident	14 Å²	14	50.2 Å²	50.2	6%	0.055	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.3	173.8	-70.7	-96.2	0	0	0	110.3	R53 T171 F172 V173 L229 V230 G232 E233	R53-Y55 HydrophobicContact CB-CD2 4.47Å; R53-Y55 HydrophobicContact CB-CE2 3.83Å; Y55-T171 HydrophobicContact CD1-CG2 3.97Å; Y55-F172 WeakPolarHBondContact CA-O 3.05Å; Y55-V173 HydrophobicContact CD1-CG2 4.01Å; Y55-V173 HydrophobicContact CE1-CG1 4.23Å; Y55-V173 HydrophobicContact CE1-CG2 3.74Å; Y55-L229 CarbonylContact O-C 3.58Å; Y55-L229 WeakPolarHBondContact O-CA 3.15Å; Y55-V230 PolarHBondContact N-O 2.71Å; Y55-V230 PolarHBondContact O-N 2.81Å; Y55-G232 VanDerWaalsContact CD2-C 3.45Å; Y55-G232 WeakPolarHBondContact CD2-O 3.1Å; Y55-E233 HydrophobicContact CD2-CB 4.41Å; Y55-E233 HydrophobicContact CE1-CG 4.31Å; Y55-E233 HydrophobicContact CE2-CB 3.72Å; Y55-E233 HydrophobicContact CE2-CG 4.35Å; Y55-E233 VanDerWaalsContact CE2-N 3.32Å
56	I	96	Very high	86.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	118	169.9	-55.5	177.1	0	0	0	107.9	F41 L80 F170 T171 F172 L185 I227 W228 L229	F41-I56 HydrophobicContact CE2-CD1 3.94Å; F41-I56 HydrophobicContact CE2-CG1 4.19Å; F41-I56 HydrophobicContact CZ-CD1 3.77Å; F41-I56 HydrophobicContact CZ-CG1 3.53Å; I56-L80 HydrophobicContact CD1-CD1 3.34Å; I56-L80 HydrophobicContact CD1-CD2 3.79Å; I56-L80 HydrophobicContact CD1-CG 4.17Å; I56-F170 HydrophobicContact CG2-CE2 4.26Å; I56-T171 CarbonylContact O-C 3.59Å; I56-T171 VanDerWaalsContact O-CA 3.32Å; I56-T171 WeakPolarHBondContact O-CA 3.45Å; I56-F172 HydrophobicContact CB-CB 4.17Å; I56-F172 HydrophobicContact CB-CD2 4.19Å; I56-F172 HydrophobicContact CG2-CD2 4.23Å; I56-F172 PolarHBondContact N-O 2.94Å; I56-F172 PolarHBondContact O-N 3.24Å; I56-L185 HydrophobicContact CG2-CD1 4.42Å; I56-L185 HydrophobicContact CG2-CD2 4.2Å; I56-I227 HydrophobicContact CG2-CG2 3.64Å; I56-W228 CarbonylContact C-O 3.59Å; I56-W228 VanDerWaalsContact CA-O 3.25Å; I56-W228 WeakPolarHBondContact CA-O 3.24Å; I56-L229 HydrophobicContact CB-CG 4.48Å; I56-L229 HydrophobicContact CD1-CD2 3.77Å; I56-L229 HydrophobicContact CD1-CG 4.25Å; I56-L229 HydrophobicContact CG1-CB 4.31Å; I56-L229 HydrophobicContact CG1-CD2 3.98Å; I56-L229 HydrophobicContact CG1-CG 3.92Å; I56-L229 HydrophobicContact CG2-CG 4.06Å
57	Y	95.5	Very high	84.4	Confident	26 Å²	26	49 Å²	49	10%	0.102	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.3	-172.9	61.9	-85.9	0	0	0	110.7	V165 S168 F170 T171 I227 W228 V230 P234	Y57-V165 HydrophobicContact CD1-CG2 4.04Å; Y57-V165 HydrophobicContact CD2-CB 3.99Å; Y57-V165 HydrophobicContact CD2-CG1 3.75Å; Y57-V165 HydrophobicContact CD2-CG2 4.39Å; Y57-V165 HydrophobicContact CE2-CG1 3.9Å; Y57-V165 HydrophobicContact CG-CB 3.92Å; Y57-V165 HydrophobicContact CG-CG1 4.08Å; Y57-V165 HydrophobicContact CG-CG2 3.87Å; Y57-S168 WeakPolarHBondContact CD2-OG 3.09Å; Y57-F170 WeakPolarHBondContact CA-O 3.44Å; Y57-F170 WeakPolarHBondContact CB-O 3.42Å; Y57-T171 WeakPolarHBondContact CB-OG1 3.44Å; Y57-I227 WeakPolarHBondContact O-CA 3.42Å; Y57-W228 HydrophobicContact CD1-CB 4.18Å; Y57-W228 HydrophobicContact CD2-CB 4.13Å; Y57-W228 HydrophobicContact CD2-CG 4.5Å; Y57-W228 HydrophobicContact CE1-CB 3.68Å; Y57-W228 HydrophobicContact CE2-CB 3.67Å; Y57-W228 AromaticContact CE2-CD1 3.84Å; Y57-W228 AromaticContact CE2-CG 3.81Å; Y57-W228 HydrophobicContact CE2-CG 3.81Å; Y57-W228 HydrophobicContact CG-CB 4.39Å; Y57-W228 VanDerWaalsContact CZ-CB 3.42Å; Y57-W228 AromaticContact CZ-CG 3.86Å; Y57-W228 PolarHBondContact N-O 3.12Å; Y57-W228 PolarHBondContact O-N 2.88Å; Y57-V230 HydrophobicContact CE1-CG1 4.22Å; Y57-V230 HydrophobicContact CE1-CG2 3.79Å; Y57-P234 HydrophobicContact CD1-CG 3.94Å; Y57-P234 HydrophobicContact CE1-CB 4.3Å; Y57-P234 HydrophobicContact CE1-CG 3.26Å; Y57-P234 HydrophobicContact CE2-CG 4.39Å
58	G	94.3	Very high	81.9	Confident	3 Å²	3	50.6 Å²	50.6	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.8	-150.8	174.8	0	0	0	0	0	113.2	Q169 F170 D226	G58-Q169 PolarHBondContact O-N 3.2Å; G58-F170 PolarHBondContact N-O 3.29Å; G58-F170 WeakPolarHBondContact O-CD1 3.38Å; G58-F170 WeakPolarHBondContact O-CE1 3.3Å; G58-D226 CarbonylContact C-O 3.6Å; G58-D226 WeakPolarHBondContact CA-O 3.35Å
59	T	94.1	Very high	79.7	Confident	36 Å²	36	49.8 Å²	49.8	22%	0.221	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.4	-176.5	70.2	0	0	0	0	110.9	Q169 Y225 D226	T59-Q169 HydrophobicContact CG2-CG 4.05Å; T59-Y225 WeakPolarHBondContact O-CA 3.44Å; T59-D226 PolarHBondContact N-O 2.96Å; T59-D226 PolarHBondContact O-N 3.45Å
60	V	93.4	Very high	77.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	102.3	174.5	-173.9	0	0	0	0	107.9	V147 P148 C149 F170 V223 I224 I227	V60-V147 HydrophobicContact CB-CB 4.13Å; V60-V147 HydrophobicContact CB-CG1 3.89Å; V60-V147 HydrophobicContact CG1-CB 3.66Å; V60-V147 HydrophobicContact CG1-CG1 3.91Å; V60-V147 HydrophobicContact CG1-CG2 4.07Å; V60-V147 HydrophobicContact CG2-CG1 4.22Å; V60-P148 CarbonylContact O-C 3.58Å; V60-P148 WeakPolarHBondContact O-CA 3.4Å; V60-C149 PolarHBondContact O-N 3.36Å; V60-F170 HydrophobicContact CG2-CE1 3.82Å; V60-F170 HydrophobicContact CG2-CZ 4.46Å; V60-V223 HydrophobicContact CG1-CG1 3.25Å; V60-I224 CarbonylContact C-O 3.53Å; V60-I224 WeakPolarHBondContact CA-O 2.8Å; V60-I227 HydrophobicContact CG2-CD1 4.11Å; V60-I227 HydrophobicContact CG2-CG1 4.4Å
61	N	89.9	Confident	76	Confident	41 Å²	41	57.5 Å²	57.5	22%	0.219	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	169.8	-170.1	-72.3	-48.9	0	0	0	111.9	C149 Q169 V223 I224	N61-C149 PolarHBondContact OD1-O 2.89Å; N61-Q169 PolarHBondContact ND2-OE1 3.02Å; N61-Q169 PolarHBondContact OD1-NE2 3.29Å; N61-Q169 PolarHBondContact OD1-OE1 3.48Å; N61-V223 CarbonylContact O-C 3.5Å; N61-V223 WeakPolarHBondContact O-CA 3.28Å; N61-I224 PolarHBondContact N-O 3.05Å; N61-I224 PolarHBondContact O-N 3.38Å
62	L	88.2	Confident	74.9	Confident	37 Å²	37	58.7 Å²	58.7	19%	0.194	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.2	168.4	-71.4	168.9	0	0	0	110.9	N64 G65 I75 P148 L221	L62-N64 VanDerWaalsContact C-N 3.29Å; L62-N64 PolarHBondContact O-N 3.29Å; L62-G65 PolarHBondContact O-N 3.11Å; L62-I75 HydrophobicContact CD2-CD1 3.79Å; L62-P148 HydrophobicContact CD1-CG 3.84Å; L62-P148 HydrophobicContact CD2-CB 4.39Å; L62-P148 HydrophobicContact CD2-CG 4Å; L62-P148 HydrophobicContact CG-CB 3.91Å; L62-P148 HydrophobicContact CG-CG 3.59Å; L62-L221 HydrophobicContact CD1-CD2 4.47Å; L62-L221 HydrophobicContact CD2-CB 4Å; L62-L221 HydrophobicContact CD2-CD1 4.47Å; L62-L221 HydrophobicContact CD2-CD2 4.24Å; L62-L221 HydrophobicContact CD2-CG 4.45Å
63	E	82.9	Confident	73.6	Confident	73 Å²	73	60.6 Å²	60.6	34%	0.341	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-41.7	-179.1	175.5	159	-155.6	0	0	113.4	K26 T222 I224	K26-E63 WeakPolarHBondContact CE-OE1 3.41Å; K26-E63 IonicContact NZ-OE1 3.97Å; K26-E63 PolarHBondContact NZ-OE1 3.07Å; K26-E63 IonicContact NZ-OE2 2.72Å; E63-T222 PolarHBondContact N-O 3.45Å; E63-T222 WeakPolarHBondContact OE2-CB 3.43Å; E63-T222 WeakPolarHBondContact OE2-CG2 3.3Å; E63-I224 VanDerWaalsContact CA-CD1 3.47Å; E63-I224 HydrophobicContact CB-CD1 3.57Å; E63-I224 HydrophobicContact CB-CG1 3.7Å; E63-I224 HydrophobicContact CG-CD1 3.77Å; E63-I224 HydrophobicContact CG-CG1 4.38Å
64	N	65.4	Low	72.8	Confident	125 Å²	125	60.3 Å²	60.3	67%	0.668	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	27.3	-170.6	-73.7	-27.2	0	0	0	113.8	L62 V66	L62-N64 VanDerWaalsContact C-N 3.29Å; L62-N64 PolarHBondContact O-N 3.29Å; N64-V66 HydrophobicContact CB-CG2 4.49Å; N64-V66 VanDerWaalsContact O-CA 3.25Å; N64-V66 WeakPolarHBondContact O-CA 3.24Å; N64-V66 WeakPolarHBondContact O-CG2 3.5Å; N64-V66 PolarHBondContact O-N 2.93Å
65	G	56	Low	72.4	Confident	49 Å²	49	60.4 Å²	60.4	51%	0.505	34%	0.341	S	S	.	.			trans	25.6	52	168.8	0	0	0	0	0	114.7	L62 S67	L62-G65 PolarHBondContact O-N 3.11Å; G65-S67 VanDerWaalsContact C-N 3.31Å; G65-S67 VanDerWaalsContact O-CA 3.31Å; G65-S67 WeakPolarHBondContact O-CA 3.41Å; G65-S67 PolarHBondContact O-N 3.42Å; G65-S67 PolarHBondContact O-OG 2.88Å
66	V	53	Low	72.3	Confident	61 Å²	61	59.8 Å²	59.8	37%	0.37	34%	0.339	S	S	.	.			trans	-62.2	98.4	-161.3	179.5	0	0	0	0	107.2	N64 N68 T69 L221	N64-V66 HydrophobicContact CB-CG2 4.49Å; N64-V66 VanDerWaalsContact O-CA 3.25Å; N64-V66 WeakPolarHBondContact O-CA 3.24Å; N64-V66 WeakPolarHBondContact O-CG2 3.5Å; N64-V66 PolarHBondContact O-N 2.93Å; V66-N68 PolarHBondContact O-N 2.79Å; V66-T69 HydrophobicContact CG1-CG2 3.85Å; V66-T69 WeakPolarHBondContact CG1-OG1 3.46Å; V66-T69 PolarHBondContact O-N 3.38Å; V66-L221 HydrophobicContact CG2-CD2 4.45Å
67	S	44.2	Very low	72.2	Confident	114 Å²	114	59.9 Å²	59.9	80%	0.797	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	6.6	-157.4	-27.9	0	0	0	0	112.2	G65	G65-S67 VanDerWaalsContact C-N 3.31Å; G65-S67 VanDerWaalsContact O-CA 3.31Å; G65-S67 WeakPolarHBondContact O-CA 3.41Å; G65-S67 PolarHBondContact O-N 3.42Å; G65-S67 PolarHBondContact O-OG 2.88Å
68	N	38.9	Very low	72.3	Confident	160 Å²	160	58.7 Å²	58.7	86%	0.856	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.3	11.3	-171.8	-84.2	-27.5	0	0	0	114.1	V66	V66-N68 PolarHBondContact O-N 2.79Å
69	T	41.9	Very low	72.4	Confident	61 Å²	61	58.5 Å²	58.5	37%	0.374	33%	0.334	S	S	.	.	S	Bend	trans	-114.8	107.5	170.3	51.1	0	0	0	0	109	V66 N71	V66-T69 HydrophobicContact CG1-CG2 3.85Å; V66-T69 WeakPolarHBondContact CG1-OG1 3.46Å; V66-T69 PolarHBondContact O-N 3.38Å; T69-N71 PolarHBondContact O-N 2.83Å
70	Q	48.2	Very low	72.6	Confident	185 Å²	185	56.9 Å²	56.9	86%	0.864	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-16.4	117.4	171.5	-66.1	178.5	-30.8	0	0	113.5	V72	Q70-V72 VanDerWaalsContact C-N 3.3Å; Q70-V72 WeakPolarHBondContact O-CG2 3.42Å; Q70-V72 PolarHBondContact O-N 3.45Å
71	N	53.9	Low	72.7	Confident	148 Å²	148	56.9 Å²	56.9	79%	0.791	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	7	72.3	164.9	-69.5	-3.4	0	0	0	114.4	T69 T73	T69-N71 PolarHBondContact O-N 2.83Å; N71-T73 HydrophobicContact CB-CG2 4.24Å; N71-T73 PolarHBondContact O-N 3.28Å
72	V	64.4	Low	72.9	Confident	38 Å²	38	55.6 Å²	55.6	23%	0.23	32%	0.317	C	S	.	.			trans	-81.7	76.9	177.6	-170	0	0	0	0	106.7	Q70 I75 P148 Y218 L221	Q70-V72 VanDerWaalsContact C-N 3.3Å; Q70-V72 WeakPolarHBondContact O-CG2 3.42Å; Q70-V72 PolarHBondContact O-N 3.45Å; V72-I75 HydrophobicContact CG1-CG2 3.27Å; V72-P148 VanDerWaalsContact O-CG 3.26Å; V72-P148 WeakPolarHBondContact O-CG 3.32Å; V72-Y218 HydrophobicContact CG1-CE1 3.89Å; V72-L221 HydrophobicContact CG1-CD1 4.42Å
73	T	62.9	Low	72.9	Confident	42 Å²	42	55.6 Å²	55.6	26%	0.258	33%	0.326	S	S	.	.			trans	-92.8	-7.5	-171.9	52.8	0	0	0	0	114.4	N71 V147 P148	N71-T73 HydrophobicContact CB-CG2 4.24Å; N71-T73 PolarHBondContact O-N 3.28Å; T73-V147 CarbonylContact O-C 3.59Å; T73-P148 CarbonylContact C-O 3.53Å; T73-P148 WeakPolarHBondContact CA-O 3.48Å
74	D	75.8	Confident	73.2	Confident	54 Å²	54	56.9 Å²	56.9	29%	0.289	33%	0.332	S	S	.	.			trans	-137.5	58.6	-166.7	-45.3	-22.6	0	0	0	111.6	K191	D74-K191 WeakPolarHBondContact O-CB 3.4Å; D74-K191 WeakPolarHBondContact O-CD 3.2Å
75	I	86.7	Confident	74.5	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	30%	0.303	C	S	.	.	S	Bend	trans	-93.5	-20.1	178.2	86.2	-166.9	0	0	0	112.8	P29 L62 V72 V147 P148 T202 Y218 L221 V223	P29-I75 HydrophobicContact CG-CD1 3.78Å; P29-I75 HydrophobicContact CG-CG1 4.01Å; L62-I75 HydrophobicContact CD2-CD1 3.79Å; V72-I75 HydrophobicContact CG1-CG2 3.27Å; I75-V147 PolarHBondContact N-O 3.32Å; I75-P148 HydrophobicContact CD1-CG 4.32Å; I75-T202 WeakPolarHBondContact O-CB 3.33Å; I75-T202 WeakPolarHBondContact O-CG2 3.31Å; I75-T202 PolarHBondContact O-OG1 2.96Å; I75-Y218 HydrophobicContact CB-CD1 4.15Å; I75-Y218 HydrophobicContact CB-CE1 4.28Å; I75-Y218 HydrophobicContact CG2-CD1 3.82Å; I75-Y218 HydrophobicContact CG2-CE1 3.65Å; I75-L221 HydrophobicContact CD1-CB 4.29Å; I75-L221 HydrophobicContact CD1-CD1 4.31Å; I75-L221 HydrophobicContact CG2-CD1 4.35Å; I75-V223 HydrophobicContact CD1-CG2 3.65Å; I75-V223 HydrophobicContact CG1-CG2 4.26Å
76	A	92.2	Very high	76.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	169.6	-178.9	0	0	0	0	0	109.2	W27 V147 V188 C190	W27-A76 HydrophobicContact CH2-CB 3.77Å; W27-A76 HydrophobicContact CZ3-CB 3.46Å; W27-A76 VanDerWaalsContact CZ3-CB 3.46Å; A76-V147 HydrophobicContact CB-CG2 3.89Å; A76-V147 PolarHBondContact N-O 3.15Å; A76-V147 WeakPolarHBondContact O-CG2 3.35Å; A76-V147 PolarHBondContact O-N 2.68Å; A76-V188 CarbonylContact C-O 3.59Å; A76-V188 VanDerWaalsContact CA-O 3.25Å; A76-V188 WeakPolarHBondContact CA-O 3.35Å; A76-V188 VanDerWaalsContact CB-O 3.31Å; A76-V188 WeakPolarHBondContact CB-O 3.42Å; A76-C190 CarbonylContact C-O 3.56Å
77	T	95.1	Very high	78.2	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.4	176.5	-56.1	0	0	0	0	108.5	V79 F123 L144 R145 V188 C190 W199	T77-V79 HydrophobicContact CG2-CG2 3.86Å; T77-F123 HydrophobicContact CG2-CE1 4.42Å; T77-F123 HydrophobicContact CG2-CZ 4.28Å; T77-L144 HydrophobicContact CG2-CB 4.19Å; T77-L144 HydrophobicContact CG2-CD2 3.98Å; T77-R145 CarbonylContact C-O 3.49Å; T77-R145 WeakPolarHBondContact CA-O 3.31Å; T77-V188 PolarHBondContact N-O 3.13Å; T77-V188 PolarHBondContact O-N 2.97Å; T77-C190 PolarHBondContact N-O 3.39Å; T77-C190 PolarHBondContact OG1-O 3.42Å; T77-W199 HydrophobicContact CG2-CH2 4.05Å; T77-W199 HydrophobicContact CG2-CZ3 4.27Å; T77-W199 WeakPolarHBondContact OG1-CZ3 3.27Å
78	L	97	Very high	80.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.7	164.9	-177.7	68.4	0	0	0	107.7	L36 L144 R145 V147 F170 F172 L185 L187 I227	L36-L78 HydrophobicContact CD1-CD1 3.88Å; L78-L144 WeakPolarHBondContact O-CA 3.32Å; L78-R145 HydrophobicContact CB-CB 4.25Å; L78-R145 PolarHBondContact N-O 3.33Å; L78-R145 PolarHBondContact O-N 3.25Å; L78-V147 HydrophobicContact CB-CG1 3.93Å; L78-V147 HydrophobicContact CB-CG2 4.39Å; L78-F170 HydrophobicContact CD2-CD2 4.14Å; L78-F170 HydrophobicContact CD2-CE1 4.05Å; L78-F170 HydrophobicContact CD2-CE2 3.5Å; L78-F170 HydrophobicContact CD2-CZ 3.45Å; L78-F170 VanDerWaalsContact CD2-CZ 3.45Å; L78-F172 HydrophobicContact CD2-CE2 3.81Å; L78-F172 HydrophobicContact CG-CE2 4.16Å; L78-L185 HydrophobicContact CD1-CD1 3.81Å; L78-L185 HydrophobicContact CD1-CD2 4.27Å; L78-L185 HydrophobicContact CD1-CG 3.92Å; L78-L185 HydrophobicContact CD2-CD1 4.45Å; L78-L185 HydrophobicContact CG-CD1 4.03Å; L78-L187 HydrophobicContact CB-CD2 4.17Å; L78-L187 HydrophobicContact CD1-CD2 3.82Å; L78-L187 HydrophobicContact CD1-CG 4.14Å; L78-I227 HydrophobicContact CD1-CD1 4.17Å; L78-I227 HydrophobicContact CD2-CD1 4.34Å
79	V	97.1	Very high	83.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.9	-172.1	-176.1	0	0	0	0	109.1	T77 V81 L89 F123 I126 L144 L185 S186 V188	T77-V79 HydrophobicContact CG2-CG2 3.86Å; V79-V81 HydrophobicContact CG1-CG1 3.86Å; V79-L89 HydrophobicContact CB-CD2 4.41Å; V79-L89 HydrophobicContact CG1-CD2 3.78Å; V79-F123 HydrophobicContact CG1-CE1 4.45Å; V79-F123 HydrophobicContact CG2-CE1 3.62Å; V79-F123 HydrophobicContact CG2-CZ 3.65Å; V79-I126 HydrophobicContact CG1-CD1 4.12Å; V79-L144 HydrophobicContact CB-CD2 4.3Å; V79-L144 HydrophobicContact CG1-CD2 3.98Å; V79-L144 HydrophobicContact CG2-CD2 3.93Å; V79-L185 WeakPolarHBondContact O-CA 3.12Å; V79-S186 PolarHBondContact N-O 2.8Å; V79-S186 PolarHBondContact O-N 3.49Å; V79-V188 HydrophobicContact CG2-CB 4.42Å; V79-V188 HydrophobicContact CG2-CG2 3.78Å
80	L	97	Very high	85.6	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.3	172.1	176.4	62	0	0	0	108.9	I56 L143 F172 V174 W183 Y184 L185	I56-L80 HydrophobicContact CD1-CD1 3.34Å; I56-L80 HydrophobicContact CD1-CD2 3.79Å; I56-L80 HydrophobicContact CD1-CG 4.17Å; L80-L143 PolarHBondContact N-O 2.93Å; L80-L143 WeakPolarHBondContact O-CB 3.42Å; L80-L143 VanDerWaalsContact O-CD2 3.32Å; L80-L143 WeakPolarHBondContact O-CD2 3.24Å; L80-F172 HydrophobicContact CB-CD1 4.46Å; L80-F172 HydrophobicContact CB-CD2 4.25Å; L80-F172 HydrophobicContact CB-CE1 4.37Å; L80-F172 HydrophobicContact CB-CE2 4.15Å; L80-F172 HydrophobicContact CB-CG 4.39Å; L80-F172 HydrophobicContact CB-CZ 4.19Å; L80-F172 HydrophobicContact CD2-CB 3.46Å; L80-F172 VanDerWaalsContact CD2-CB 3.46Å; L80-F172 HydrophobicContact CD2-CD1 4.01Å; L80-F172 HydrophobicContact CD2-CD2 3.95Å; L80-F172 HydrophobicContact CD2-CG 3.56Å; L80-V174 HydrophobicContact CD2-CG2 3.84Å; L80-W183 HydrophobicContact CD1-CB 3.98Å; L80-W183 HydrophobicContact CD1-CD2 4.48Å; L80-W183 HydrophobicContact CD1-CE3 3.81Å; L80-W183 HydrophobicContact CD2-CE3 4.21Å; L80-W183 HydrophobicContact CD2-CZ3 4.44Å; L80-W183 HydrophobicContact CG-CE3 3.67Å; L80-W183 HydrophobicContact CG-CZ3 4.07Å; L80-Y184 WeakPolarHBondContact CA-O 3.2Å; L80-L185 HydrophobicContact CB-CD1 4.21Å; L80-L185 HydrophobicContact CD1-CD1 4.3Å
81	V	95.7	Very high	87.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	156.5	-179.9	-72.6	0	0	0	0	111.8	V79 F85 I86 L89 I126 W183 Y184	V79-V81 HydrophobicContact CG1-CG1 3.86Å; V81-F85 HydrophobicContact CB-CB 4.03Å; V81-F85 HydrophobicContact CG1-CB 4.03Å; V81-I86 HydrophobicContact CG2-CB 4.09Å; V81-I86 HydrophobicContact CG2-CD1 4.08Å; V81-L89 HydrophobicContact CG2-CD2 4.14Å; V81-I126 HydrophobicContact CG1-CD1 3.81Å; V81-I126 HydrophobicContact CG1-CG1 4.15Å; V81-W183 CarbonylContact O-C 3.57Å; V81-W183 WeakPolarHBondContact O-CA 3.04Å; V81-Y184 PolarHBondContact N-O 3.23Å; V81-Y184 PolarHBondContact O-N 3.03Å
82	D	93.7	Very high	89.6	Confident	14 Å²	14	34.2 Å²	34.2	8%	0.075	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-175.5	171.2	80.3	1.8	0	0	0	112.3	E84 F85 I86 R181 W183	D82-E84 PolarHBondContact O-N 3.3Å; D82-E84 VanDerWaalsContact OD1-CB 3.29Å; D82-E84 WeakPolarHBondContact OD1-CB 3.48Å; D82-E84 PolarHBondContact OD1-N 2.8Å; D82-F85 PolarHBondContact O-N 3.24Å; D82-F85 WeakPolarHBondContact OD1-CD2 3.42Å; D82-I86 PolarHBondContact O-N 2.92Å; D82-R181 IonicContact OD2-NH1 3.36Å; D82-R181 PolarHBondContact OD2-NH1 3.49Å; D82-R181 VanDerWaalsContact OD2-NH1 3.07Å; D82-W183 HydrophobicContact CB-CD2 4.24Å; D82-W183 HydrophobicContact CB-CE3 4.36Å; D82-W183 HydrophobicContact CB-CZ2 4.47Å
83	G	88.9	Confident	90.9	Very high	37 Å²	37	32.7 Å²	32.7	38%	0.381	18%	0.179	S	C	.	.	H	α-helix	trans	-59.9	-22.1	179.3	0	0	0	0	0	115.1
84	E	89.6	Confident	92.2	Very high	99 Å²	99	34.5 Å²	34.5	46%	0.463	19%	0.19	S	C	.	.	H	α-helix	trans	-76.7	-24	-176.1	-59	-178.8	-163.3	0	0	112.5	D82 K125 R181	D82-E84 PolarHBondContact O-N 3.3Å; D82-E84 VanDerWaalsContact OD1-CB 3.29Å; D82-E84 WeakPolarHBondContact OD1-CB 3.48Å; D82-E84 PolarHBondContact OD1-N 2.8Å; E84-K125 PolarHBondContact O-NZ 3.4Å; E84-R181 IonicContact OE1-CZ 2.83Å; E84-R181 IonicContact OE1-NH1 2.81Å; E84-R181 PolarHBondContact OE1-NH1 2.89Å; E84-R181 IonicContact OE1-NH2 2.74Å
85	F	93	Very high	92.8	Very high	14 Å²	14	38.5 Å²	38.5	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-111.2	-25.8	-177.3	-53.2	-90.7	0	0	0	113.4	V81 D82 M87 D88 L89 K125 I126 L129	V81-F85 HydrophobicContact CB-CB 4.03Å; V81-F85 HydrophobicContact CG1-CB 4.03Å; D82-F85 PolarHBondContact O-N 3.24Å; D82-F85 WeakPolarHBondContact OD1-CD2 3.42Å; F85-M87 VanDerWaalsContact C-N 3.27Å; F85-M87 PolarHBondContact O-N 3.02Å; F85-D88 PolarHBondContact O-N 2.86Å; F85-L89 WeakPolarHBondContact O-CB 3.32Å; F85-L89 PolarHBondContact O-N 2.71Å; F85-K125 HydrophobicContact CD1-CB 4.3Å; F85-K125 HydrophobicContact CD1-CD 3.7Å; F85-K125 HydrophobicContact CD1-CG 3.71Å; F85-K125 HydrophobicContact CE1-CD 4.04Å; F85-K125 HydrophobicContact CE1-CG 3.79Å; F85-I126 HydrophobicContact CB-CG1 4.29Å; F85-I126 HydrophobicContact CD1-CG1 4.36Å; F85-L129 HydrophobicContact CE1-CD1 3.86Å; F85-L129 HydrophobicContact CZ-CD1 3.86Å; F85-L129 HydrophobicContact CZ-CD2 4.37Å
86	I	93.4	Very high	92.4	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-36.4	-174.8	-172.3	57.4	0	0	0	113.2	V81 D82 L89 Y90 Y184	V81-I86 HydrophobicContact CG2-CB 4.09Å; V81-I86 HydrophobicContact CG2-CD1 4.08Å; D82-I86 PolarHBondContact O-N 2.92Å; I86-L89 HydrophobicContact CD1-CD2 4.21Å; I86-L89 PolarHBondContact O-N 2.97Å; I86-Y90 VanDerWaalsContact O-CB 3.23Å; I86-Y90 WeakPolarHBondContact O-CB 3.41Å; I86-Y90 PolarHBondContact O-N 3.28Å; I86-Y184 HydrophobicContact CB-CD2 4.01Å; I86-Y184 HydrophobicContact CB-CG 4.01Å; I86-Y184 HydrophobicContact CD1-CG 4.27Å; I86-Y184 HydrophobicContact CG1-CD1 3.94Å; I86-Y184 HydrophobicContact CG1-CD2 4.26Å; I86-Y184 HydrophobicContact CG1-CG 3.75Å; I86-Y184 HydrophobicContact CG2-CD1 4.49Å; I86-Y184 HydrophobicContact CG2-CD2 3.89Å; I86-Y184 HydrophobicContact CG2-CE1 4.5Å; I86-Y184 HydrophobicContact CG2-CE2 3.93Å; I86-Y184 HydrophobicContact CG2-CG 4.19Å
87	M	91.5	Very high	91.6	Very high	134 Å²	134	44.6 Å²	44.6	66%	0.66	24%	0.242	S	C	*	.	H	α-helix	trans	-66	-41.3	-179	-66.7	-57.9	-64	0	0	111.9	F85 G91	F85-M87 VanDerWaalsContact C-N 3.27Å; F85-M87 PolarHBondContact O-N 3.02Å; M87-G91 WeakPolarHBondContact O-CA 3.35Å; M87-G91 PolarHBondContact O-N 2.84Å
88	D	92.5	Very high	90.2	Very high	73 Å²	73	54.4 Å²	54.4	39%	0.39	28%	0.279	S	S	.	.	H	α-helix	trans	-71	-43.7	177.3	-66.4	-32.7	0	0	0	110.4	F85 N92 K125	F85-D88 PolarHBondContact O-N 2.86Å; D88-N92 VanDerWaalsContact O-CB 3.26Å; D88-N92 WeakPolarHBondContact O-CB 3.33Å; D88-N92 PolarHBondContact O-N 3.43Å; D88-N92 PolarHBondContact O-ND2 3.35Å; D88-N92 VanDerWaalsContact O-ND2 3.15Å; D88-K125 VanDerWaalsContact OD2-CD 3.24Å; D88-K125 WeakPolarHBondContact OD2-CD 3.05Å; D88-K125 IonicContact OD2-NZ 3.63Å; D88-K125 PolarHBondContact OD2-NZ 2.9Å; D88-K125 VanDerWaalsContact OD2-NZ 3.13Å
89	L	95	Very high	88.6	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-54.6	176.7	-179.5	68.1	0	0	0	111.3	Y33 V79 V81 F85 I86 A93 M122 I126	Y33-L89 HydrophobicContact CE2-CD2 4.36Å; Y33-L89 HydrophobicContact CE2-CG 4.28Å; V79-L89 HydrophobicContact CB-CD2 4.41Å; V79-L89 HydrophobicContact CG1-CD2 3.78Å; V81-L89 HydrophobicContact CG2-CD2 4.14Å; F85-L89 WeakPolarHBondContact O-CB 3.32Å; F85-L89 PolarHBondContact O-N 2.71Å; I86-L89 HydrophobicContact CD1-CD2 4.21Å; I86-L89 PolarHBondContact O-N 2.97Å; L89-A93 WeakPolarHBondContact O-CB 3.28Å; L89-A93 PolarHBondContact O-N 3.29Å; L89-M122 HydrophobicContact CD1-CB 3.99Å; L89-M122 HydrophobicContact CD1-CE 3.73Å; L89-M122 HydrophobicContact CG-CE 4.39Å; L89-I126 HydrophobicContact CB-CD1 4.49Å; L89-I126 HydrophobicContact CD1-CD1 3.91Å; L89-I126 HydrophobicContact CD2-CD1 4.37Å; L89-I126 HydrophobicContact CG-CD1 4.48Å
90	Y	94	Very high	87	Confident	118 Å²	118	65.2 Å²	65.2	46%	0.463	33%	0.334	S	S	.	.	H	α-helix	trans	-69.1	-41.3	-179.4	178.4	-105.5	0	0	0	112.5	Y33 I86 N92 A93 T94	Y33-Y90 HydrophobicContact CD1-CD2 4.2Å; Y33-Y90 HydrophobicContact CD1-CE2 4.47Å; Y33-Y90 AromaticContact CE1-CD2 3.52Å; Y33-Y90 HydrophobicContact CE1-CD2 3.52Å; Y33-Y90 HydrophobicContact CE1-CE2 4.02Å; Y33-Y90 AromaticContact CZ-CD2 3.92Å; I86-Y90 VanDerWaalsContact O-CB 3.23Å; I86-Y90 WeakPolarHBondContact O-CB 3.41Å; I86-Y90 PolarHBondContact O-N 3.28Å; Y90-N92 PolarHBondContact O-N 2.97Å; Y90-A93 WeakPolarHBondContact O-CB 3.48Å; Y90-A93 PolarHBondContact O-N 3.44Å; Y90-T94 HydrophobicContact CD2-CG2 4.08Å; Y90-T94 HydrophobicContact CE1-CG2 4.09Å; Y90-T94 HydrophobicContact CE2-CG2 3.61Å; Y90-T94 WeakPolarHBondContact O-CG2 3.3Å; Y90-T94 PolarHBondContact O-N 3.44Å; Y90-T94 PolarHBondContact O-OG1 2.92Å
91	G	93.1	Very high	85.2	Confident	29 Å²	29	72.7 Å²	72.7	30%	0.299	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-44.8	177.8	0	0	0	0	0	111.9	M87 T94 K95	M87-G91 WeakPolarHBondContact O-CA 3.35Å; M87-G91 PolarHBondContact O-N 2.84Å; G91-T94 PolarHBondContact O-N 3.04Å; G91-T94 PolarHBondContact O-OG1 3.49Å; G91-K95 WeakPolarHBondContact O-CB 3.39Å; G91-K95 PolarHBondContact O-N 3.33Å; G91-K95 VanDerWaalsContact O-N 3.07Å
92	N	94	Very high	83.9	Confident	45 Å²	45	76.4 Å²	76.4	24%	0.241	40%	0.397	C	S	.	.	H	α-helix	trans	-71.3	-30.9	176.6	-72.2	-37.4	0	0	0	112.6	D88 Y90 R118 K121 M122	D88-N92 VanDerWaalsContact O-CB 3.26Å; D88-N92 WeakPolarHBondContact O-CB 3.33Å; D88-N92 PolarHBondContact O-N 3.43Å; D88-N92 PolarHBondContact O-ND2 3.35Å; D88-N92 VanDerWaalsContact O-ND2 3.15Å; Y90-N92 PolarHBondContact O-N 2.97Å; N92-R118 WeakPolarHBondContact O-CG 3.29Å; N92-R118 PolarHBondContact O-NH1 3.44Å; N92-K121 HydrophobicContact CB-CB 4.26Å; N92-K121 PolarHBondContact ND2-O 3.32Å; N92-M122 HydrophobicContact CB-CB 4.49Å; N92-M122 HydrophobicContact CB-CG 3.73Å
93	A	91.8	Very high	83	Confident	7 Å²	7	82.5 Å²	82.5	6%	0.058	44%	0.435	C	S	.	.	H	α-helix	trans	-64.4	-39.3	173.6	0	0	0	0	0	112.7	Y33 L89 Y90 R118 M122	Y33-A93 HydrophobicContact CD2-CB 3.89Å; Y33-A93 HydrophobicContact CG-CB 3.9Å; L89-A93 WeakPolarHBondContact O-CB 3.28Å; L89-A93 PolarHBondContact O-N 3.29Å; Y90-A93 WeakPolarHBondContact O-CB 3.48Å; Y90-A93 PolarHBondContact O-N 3.44Å; A93-R118 PolarHBondContact O-NH1 2.82Å; A93-M122 HydrophobicContact CB-CE 3.65Å; A93-M122 HydrophobicContact CB-CG 4.41Å; A93-M122 HydrophobicContact CB-SD 3.74Å
94	T	89.9	Confident	82.6	Confident	80 Å²	80	85.1 Å²	85.1	49%	0.491	46%	0.462	S	S	.	.	H	α-helix	trans	-92.7	-21.3	-171.5	52.3	0	0	0	0	114.4	Y90 G91 S96	Y90-T94 HydrophobicContact CD2-CG2 4.08Å; Y90-T94 HydrophobicContact CE1-CG2 4.09Å; Y90-T94 HydrophobicContact CE2-CG2 3.61Å; Y90-T94 WeakPolarHBondContact O-CG2 3.3Å; Y90-T94 PolarHBondContact O-N 3.44Å; Y90-T94 PolarHBondContact O-OG1 2.92Å; G91-T94 PolarHBondContact O-N 3.04Å; G91-T94 PolarHBondContact O-OG1 3.49Å; T94-S96 PolarHBondContact O-N 3.25Å
95	K	87.2	Confident	82.1	Confident	137 Å²	137	83.4 Å²	83.4	60%	0.596	46%	0.455	S	S	*	.	S	Bend	trans	-57.4	132.1	-177.7	-171	169.2	-175.6	171.8	0	112.7	G91 I97 R118	G91-K95 WeakPolarHBondContact O-CB 3.39Å; G91-K95 PolarHBondContact O-N 3.33Å; G91-K95 VanDerWaalsContact O-N 3.07Å; K95-I97 PolarHBondContact O-N 2.98Å; K95-R118 VanDerWaalsContact O-CZ 3.26Å; K95-R118 PolarHBondContact O-NH1 2.8Å; K95-R118 PolarHBondContact O-NH2 3.03Å
96	S	79.3	Confident	81.6	Confident	79 Å²	79	85.4 Å²	85.4	55%	0.552	47%	0.468	S	S	*	.			trans	-64.3	127.1	170.9	59.2	0	0	0	0	110	T94	T94-S96 PolarHBondContact O-N 3.25Å
97	I	74.6	Confident	81.1	Confident	51 Å²	51	92.7 Å²	92.7	26%	0.262	50%	0.496	S	S	.	.			trans	-105.8	128.5	171.3	-57	173.1	0	0	0	106.6	K95 M114 R118	K95-I97 PolarHBondContact O-N 2.98Å; I97-M114 VanDerWaalsContact C-CE 3.48Å; I97-M114 HydrophobicContact CB-CE 3.88Å; I97-M114 HydrophobicContact CG2-CB 4.22Å; I97-M114 HydrophobicContact CG2-CE 3.57Å; I97-M114 HydrophobicContact CG2-CG 4.24Å; I97-M114 WeakPolarHBondContact O-CE 3.48Å; I97-R118 HydrophobicContact CD1-CB 3.6Å; I97-R118 HydrophobicContact CD1-CG 4.05Å; I97-R118 VanDerWaalsContact CG1-NH2 3.33Å
98	W	65.9	Low	80.7	Confident	209 Å²	209	92 Å²	92	79%	0.792	49%	0.491	S	S	*	.			trans	-91.2	132	179.7	-60.7	101	0	0	0	110	Q100	W98-Q100 PolarHBondContact O-N 3.14Å; W98-Q100 VanDerWaalsContact O-N 3.17Å
99	T	63.5	Low	80.3	Confident	63 Å²	63	91.4 Å²	91.4	39%	0.387	49%	0.486	S	S	.	.			trans	-61.7	113.9	171.5	43.9	0	0	0	0	108.8	M114	T99-M114 WeakPolarHBondContact CA-SD 3.49Å; T99-M114 HydrophobicContact CG2-CE 3.77Å; T99-M114 HydrophobicContact CG2-SD 3.23Å; T99-M114 WeakPolarHBondContact CG2-SD 3.44Å; T99-M114 VanDerWaalsContact N-CE 3.25Å
100	Q	63	Low	79.9	Confident	164 Å²	164	92.1 Å²	92.1	77%	0.766	49%	0.491	S	S	*	.			trans	-75.3	129	158.8	-68.8	-174.9	-6.4	0	0	107.1	W98 V102	W98-Q100 PolarHBondContact O-N 3.14Å; W98-Q100 VanDerWaalsContact O-N 3.17Å; Q100-V102 PolarHBondContact O-N 3.16Å
101	N	60.8	Low	79.5	Confident	159 Å²	159	89.1 Å²	89.1	85%	0.85	48%	0.481	S	S	*	.			trans	-68.1	87.7	172.6	-81.4	-14.3	0	0	0	108.4	T103	N101-T103 PolarHBondContact O-N 3.35Å
102	V	67.9	Low	79.3	Confident	79 Å²	79	89 Å²	89	48%	0.479	47%	0.472	S	S	.	.			trans	-75	117.7	171.6	-175.3	0	0	0	0	107.2	Q100 G104 M105	Q100-V102 PolarHBondContact O-N 3.16Å; V102-G104 PolarHBondContact O-N 3.46Å; V102-M105 HydrophobicContact CB-CB 4.39Å; V102-M105 HydrophobicContact CG1-CE 4.4Å; V102-M105 PolarHBondContact O-N 3.39Å
103	T	75.2	Confident	79.1	Confident	141 Å²	141	90.5 Å²	90.5	87%	0.865	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	131.4	178.7	44.8	0	0	0	0	110.2	N101	N101-T103 PolarHBondContact O-N 3.35Å
104	G	78.7	Confident	79	Confident	92 Å²	92	91.6 Å²	91.6	95%	0.948	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	6.2	177.4	0	0	0	0	0	116.1	V102	V102-G104 PolarHBondContact O-N 3.46Å
105	M	80.4	Confident	79	Confident	64 Å²	64	88.6 Å²	88.6	32%	0.315	46%	0.464	S	S	.	.			trans	-111.7	142.7	178.8	-170.5	175.2	-75.2	0	0	111.8	V102 E109 S110 L113	V102-M105 HydrophobicContact CB-CB 4.39Å; V102-M105 HydrophobicContact CG1-CE 4.4Å; V102-M105 PolarHBondContact O-N 3.39Å; M105-E109 HydrophobicContact CG-CB 3.38Å; M105-E109 HydrophobicContact CG-CG 4.43Å; M105-E109 HydrophobicContact SD-CB 3.92Å; M105-S110 VanDerWaalsContact SD-CA 3.58Å; M105-L113 HydrophobicContact CE-CD1 3.22Å; M105-L113 HydrophobicContact SD-CD1 3.48Å; M105-L113 WeakPolarHBondContact SD-CD1 3.31Å
106	T	83	Confident	79.2	Confident	56 Å²	56	82.7 Å²	82.7	34%	0.344	44%	0.44	S	S	.	.			trans	-71.1	155.7	173.4	65.7	0	0	0	0	111.1	Q108 E109 S110	T106-Q108 PolarHBondContact O-N 3.5Å; T106-E109 WeakPolarHBondContact CB-OE2 3.41Å; T106-E109 PolarHBondContact N-OE2 3.21Å; T106-E109 PolarHBondContact O-N 2.98Å; T106-E109 WeakPolarHBondContact OG1-CB 3.28Å; T106-E109 VanDerWaalsContact OG1-CD 3.26Å; T106-E109 WeakPolarHBondContact OG1-CG 3.3Å; T106-E109 PolarHBondContact OG1-N 3.33Å; T106-E109 PolarHBondContact OG1-OE2 3.46Å; T106-S110 PolarHBondContact O-N 3.4Å; T106-S110 PolarHBondContact O-OG 3.37Å
107	Y	81.3	Confident	79.8	Confident	166 Å²	166	83.1 Å²	83.1	65%	0.651	43%	0.433	S	S	*	.	H	α-helix	trans	-58.6	-29.6	176.7	176.2	-112.4	0	0	0	113.4	S110 Q111	Y107-S110 PolarHBondContact O-OG 2.83Å; Y107-Q111 HydrophobicContact CE2-CG 4.41Å; Y107-Q111 WeakPolarHBondContact O-CG 3.31Å; Y107-Q111 PolarHBondContact O-N 2.88Å; Y107-Q111 PolarHBondContact OH-NE2 3.25Å
108	Q	82.9	Confident	80.7	Confident	119 Å²	119	81.1 Å²	81.1	56%	0.556	42%	0.422	S	S	*	.	H	α-helix	trans	-75.6	-42.3	178.4	-69.6	178.9	-34	0	0	111.8	T106 S110 Q111 W112	T106-Q108 PolarHBondContact O-N 3.5Å; Q108-S110 VanDerWaalsContact C-N 3.34Å; Q108-Q111 PolarHBondContact O-N 3.04Å; Q108-W112 PolarHBondContact O-N 3.22Å
109	E	85	Confident	82.1	Confident	60 Å²	60	71.2 Å²	71.2	28%	0.28	39%	0.385	S	S	.	.	H	α-helix	trans	-62.6	-41.7	175.5	-74	166.8	141.9	0	0	111.8	M105 T106 Q111 W112 L113 Y207	M105-E109 HydrophobicContact CG-CB 3.38Å; M105-E109 HydrophobicContact CG-CG 4.43Å; M105-E109 HydrophobicContact SD-CB 3.92Å; T106-E109 WeakPolarHBondContact CB-OE2 3.41Å; T106-E109 PolarHBondContact N-OE2 3.21Å; T106-E109 PolarHBondContact O-N 2.98Å; T106-E109 WeakPolarHBondContact OG1-CB 3.28Å; T106-E109 VanDerWaalsContact OG1-CD 3.26Å; T106-E109 WeakPolarHBondContact OG1-CG 3.3Å; T106-E109 PolarHBondContact OG1-N 3.33Å; T106-E109 PolarHBondContact OG1-OE2 3.46Å; E109-Q111 PolarHBondContact O-N 3.44Å; E109-W112 PolarHBondContact O-N 2.94Å; E109-L113 WeakPolarHBondContact O-CG 3.48Å; E109-L113 PolarHBondContact O-N 3.39Å; E109-Y207 HydrophobicContact CG-CD1 3.42Å; E109-Y207 VanDerWaalsContact CG-CD1 3.42Å; E109-Y207 HydrophobicContact CG-CE1 4.24Å; E109-Y207 HydrophobicContact CG-CG 3.84Å; E109-Y207 VanDerWaalsContact OE1-CD1 3.26Å; E109-Y207 WeakPolarHBondContact OE1-CD1 3.32Å
110	S	86.1	Confident	83.6	Confident	17 Å²	17	69.9 Å²	69.9	12%	0.119	38%	0.375	C	S	.	.	H	α-helix	trans	-64.8	-40.2	179.3	65.9	0	0	0	0	112	M105 T106 Y107 Q108 L113 M114	M105-S110 VanDerWaalsContact SD-CA 3.58Å; T106-S110 PolarHBondContact O-N 3.4Å; T106-S110 PolarHBondContact O-OG 3.37Å; Y107-S110 PolarHBondContact O-OG 2.83Å; Q108-S110 VanDerWaalsContact C-N 3.34Å; S110-L113 PolarHBondContact O-N 2.88Å; S110-M114 VanDerWaalsContact O-CG 3.25Å; S110-M114 WeakPolarHBondContact O-CG 3.32Å; S110-M114 PolarHBondContact O-N 3.46Å
111	Q	87.1	Confident	85	Confident	55 Å²	55	66.8 Å²	66.8	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-62.7	-46.9	173.2	-79.7	-171.7	70.1	0	0	112.8	Y107 Q108 E109 L113 M114 E115 I204	Y107-Q111 HydrophobicContact CE2-CG 4.41Å; Y107-Q111 WeakPolarHBondContact O-CG 3.31Å; Y107-Q111 PolarHBondContact O-N 2.88Å; Y107-Q111 PolarHBondContact OH-NE2 3.25Å; Q108-Q111 PolarHBondContact O-N 3.04Å; E109-Q111 PolarHBondContact O-N 3.44Å; Q111-L113 VanDerWaalsContact C-N 3.3Å; Q111-L113 PolarHBondContact O-N 3.43Å; Q111-M114 PolarHBondContact O-N 2.83Å; Q111-E115 PolarHBondContact O-N 3.23Å; Q111-I204 HydrophobicContact CB-CD1 4.48Å
112	W	88.3	Confident	86.7	Confident	25 Å²	25	59.6 Å²	59.6	10%	0.095	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-41.7	179.4	-179.7	84.9	0	0	0	111.6	Q108 E109 T116 E200 T201 R206	Q108-W112 PolarHBondContact O-N 3.22Å; E109-W112 PolarHBondContact O-N 2.94Å; W112-T116 HydrophobicContact CH2-CG2 4.35Å; W112-T116 WeakPolarHBondContact CZ2-OG1 3.5Å; W112-T116 VanDerWaalsContact O-CB 3.24Å; W112-T116 WeakPolarHBondContact O-CB 3.41Å; W112-T116 PolarHBondContact O-N 2.86Å; W112-T116 PolarHBondContact O-OG1 3.41Å; W112-E200 HydrophobicContact CH2-CG 4.43Å; W112-E200 HydrophobicContact CZ2-CB 4.25Å; W112-E200 HydrophobicContact CZ2-CG 4.23Å; W112-T201 HydrophobicContact CG-CG2 4.33Å; W112-R206 HydrophobicContact CD2-CG 4.13Å; W112-R206 HydrophobicContact CZ2-CB 4.47Å; W112-R206 HydrophobicContact CZ2-CG 4.01Å
113	L	89	Confident	88	Confident	78 Å²	78	55.8 Å²	55.8	41%	0.408	30%	0.298	S	S	.	.	H	α-helix	trans	-65.3	-40.7	176.9	-77.8	169.8	0	0	0	112.8	M105 E109 S110 Q111 T116 E117	M105-L113 HydrophobicContact CE-CD1 3.22Å; M105-L113 HydrophobicContact SD-CD1 3.48Å; M105-L113 WeakPolarHBondContact SD-CD1 3.31Å; E109-L113 WeakPolarHBondContact O-CG 3.48Å; E109-L113 PolarHBondContact O-N 3.39Å; S110-L113 PolarHBondContact O-N 2.88Å; Q111-L113 VanDerWaalsContact C-N 3.3Å; Q111-L113 PolarHBondContact O-N 3.43Å; L113-T116 WeakPolarHBondContact O-CB 3.43Å; L113-T116 PolarHBondContact O-N 2.85Å; L113-E117 WeakPolarHBondContact O-CB 3.25Å; L113-E117 PolarHBondContact O-N 3.32Å
114	M	89.4	Confident	88.8	Confident	30 Å²	30	54.9 Å²	54.9	15%	0.148	29%	0.288	C	S	.	.	H	α-helix	trans	-65.8	-43.2	178.1	-73.7	166.1	63.6	0	0	112.9	I97 T99 S110 Q111 T116 E117 R118	I97-M114 VanDerWaalsContact C-CE 3.48Å; I97-M114 HydrophobicContact CB-CE 3.88Å; I97-M114 HydrophobicContact CG2-CB 4.22Å; I97-M114 HydrophobicContact CG2-CE 3.57Å; I97-M114 HydrophobicContact CG2-CG 4.24Å; I97-M114 WeakPolarHBondContact O-CE 3.48Å; T99-M114 WeakPolarHBondContact CA-SD 3.49Å; T99-M114 HydrophobicContact CG2-CE 3.77Å; T99-M114 HydrophobicContact CG2-SD 3.23Å; T99-M114 WeakPolarHBondContact CG2-SD 3.44Å; T99-M114 VanDerWaalsContact N-CE 3.25Å; S110-M114 VanDerWaalsContact O-CG 3.25Å; S110-M114 WeakPolarHBondContact O-CG 3.32Å; S110-M114 PolarHBondContact O-N 3.46Å; Q111-M114 PolarHBondContact O-N 2.83Å; M114-T116 VanDerWaalsContact C-N 3.32Å; M114-E117 PolarHBondContact O-N 3.3Å; M114-R118 PolarHBondContact O-N 2.87Å
115	E	90.1	Very high	89.5	Confident	16 Å²	16	54.7 Å²	54.7	8%	0.075	26%	0.26	C	S	.	.	H	α-helix	trans	-71.9	-30.1	177.6	-68.3	-56.6	150	0	0	111.6	R32 Q111 R118 C119 T201 I204	R32-E115 WeakPolarHBondContact CD-OE2 3.4Å; R32-E115 IonicContact CZ-OE1 2.73Å; R32-E115 IonicContact CZ-OE2 3.37Å; R32-E115 IonicContact NE-OE2 3.84Å; R32-E115 PolarHBondContact NE-OE2 3.43Å; R32-E115 IonicContact NH1-OE1 3.93Å; R32-E115 PolarHBondContact NH1-OE1 2.83Å; R32-E115 IonicContact NH1-OE2 3.49Å; R32-E115 PolarHBondContact NH1-OE2 2.86Å; Q111-E115 PolarHBondContact O-N 3.23Å; E115-R118 VanDerWaalsContact O-CB 3.29Å; E115-R118 WeakPolarHBondContact O-CB 3.39Å; E115-R118 PolarHBondContact O-N 2.88Å; E115-R118 IonicContact OE1-CZ 3.43Å; E115-R118 IonicContact OE1-NE 2.65Å; E115-R118 IonicContact OE1-NH2 3.13Å; E115-R118 PolarHBondContact OE1-NH2 3.43Å; E115-R118 WeakPolarHBondContact OE2-CD 3.44Å; E115-R118 IonicContact OE2-CZ 3.47Å; E115-R118 IonicContact OE2-NE 3.54Å; E115-R118 PolarHBondContact OE2-NE 2.9Å; E115-C119 PolarHBondContact O-N 3.4Å; E115-C119 VanDerWaalsContact O-N 3.08Å; E115-C119 PolarHBondContact O-SG 3.3Å; E115-T201 HydrophobicContact CB-CG2 3.83Å; E115-I204 HydrophobicContact CB-CD1 4.43Å; E115-I204 HydrophobicContact CG-CD1 3.72Å
116	T	92.2	Very high	90.1	Very high	14 Å²	14	51.7 Å²	51.7	9%	0.086	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-44.2	168.2	-68.5	0	0	0	0	111.7	W112 L113 M114 R118 C119 N120 W199 T201	W112-T116 HydrophobicContact CH2-CG2 4.35Å; W112-T116 WeakPolarHBondContact CZ2-OG1 3.5Å; W112-T116 VanDerWaalsContact O-CB 3.24Å; W112-T116 WeakPolarHBondContact O-CB 3.41Å; W112-T116 PolarHBondContact O-N 2.86Å; W112-T116 PolarHBondContact O-OG1 3.41Å; L113-T116 WeakPolarHBondContact O-CB 3.43Å; L113-T116 PolarHBondContact O-N 2.85Å; M114-T116 VanDerWaalsContact C-N 3.32Å; T116-R118 VanDerWaalsContact C-N 3.28Å; T116-R118 PolarHBondContact O-N 3.3Å; T116-C119 WeakPolarHBondContact O-CB 3.44Å; T116-C119 PolarHBondContact O-N 2.94Å; T116-C119 VanDerWaalsContact O-N 3.16Å; T116-N120 PolarHBondContact O-N 3.47Å; T116-N120 PolarHBondContact O-ND2 3.46Å; T116-W199 WeakPolarHBondContact CG2-O 3.24Å; T116-T201 PolarHBondContact OG1-N 3.01Å
117	E	92.1	Very high	90.6	Very high	87 Å²	87	51.3 Å²	51.3	41%	0.407	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-33.7	175.5	-179.5	58.4	-166.1	0	0	112.2	L113 M114 N120 K121	L113-E117 WeakPolarHBondContact O-CB 3.25Å; L113-E117 PolarHBondContact O-N 3.32Å; M114-E117 PolarHBondContact O-N 3.3Å; E117-N120 PolarHBondContact O-N 2.97Å; E117-K121 WeakPolarHBondContact O-CG 3.49Å; E117-K121 PolarHBondContact O-N 3.3Å; E117-K121 VanDerWaalsContact OE1-CE 3.23Å; E117-K121 WeakPolarHBondContact OE1-CE 3.38Å; E117-K121 IonicContact OE1-NZ 3.89Å
118	R	93.2	Very high	91	Very high	9 Å²	9	47.6 Å²	47.6	3%	0.034	24%	0.24	C	C	.	.	H	α-helix	trans	-58.6	-49.6	170.2	-171.9	-173.2	-62.7	-74.8	2.7	111.4	N92 A93 K95 I97 M114 E115 T116 N120 K121 M122	N92-R118 WeakPolarHBondContact O-CG 3.29Å; N92-R118 PolarHBondContact O-NH1 3.44Å; A93-R118 PolarHBondContact O-NH1 2.82Å; K95-R118 VanDerWaalsContact O-CZ 3.26Å; K95-R118 PolarHBondContact O-NH1 2.8Å; K95-R118 PolarHBondContact O-NH2 3.03Å; I97-R118 HydrophobicContact CD1-CB 3.6Å; I97-R118 HydrophobicContact CD1-CG 4.05Å; I97-R118 VanDerWaalsContact CG1-NH2 3.33Å; M114-R118 PolarHBondContact O-N 2.87Å; E115-R118 VanDerWaalsContact O-CB 3.29Å; E115-R118 WeakPolarHBondContact O-CB 3.39Å; E115-R118 PolarHBondContact O-N 2.88Å; E115-R118 IonicContact OE1-CZ 3.43Å; E115-R118 IonicContact OE1-NE 2.65Å; E115-R118 IonicContact OE1-NH2 3.13Å; E115-R118 PolarHBondContact OE1-NH2 3.43Å; E115-R118 WeakPolarHBondContact OE2-CD 3.44Å; E115-R118 IonicContact OE2-CZ 3.47Å; E115-R118 IonicContact OE2-NE 3.54Å; E115-R118 PolarHBondContact OE2-NE 2.9Å; T116-R118 VanDerWaalsContact C-N 3.28Å; T116-R118 PolarHBondContact O-N 3.3Å; R118-N120 VanDerWaalsContact C-N 3.29Å; R118-N120 PolarHBondContact O-N 2.88Å; R118-K121 PolarHBondContact O-N 2.96Å; R118-K121 VanDerWaalsContact O-N 3.15Å; R118-M122 HydrophobicContact CG-CG 4.33Å; R118-M122 HydrophobicContact CG-SD 4.02Å; R118-M122 WeakPolarHBondContact O-CB 3.39Å; R118-M122 VanDerWaalsContact O-CG 3.3Å; R118-M122 WeakPolarHBondContact O-CG 3.04Å; R118-M122 PolarHBondContact O-N 3.02Å
119	C	94.9	Very high	91.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-56.1	-45.7	176.9	-69.5	0	0	0	0	111.1	E115 T116 K121 M122 F123 C190 W199	E115-C119 PolarHBondContact O-N 3.4Å; E115-C119 VanDerWaalsContact O-N 3.08Å; E115-C119 PolarHBondContact O-SG 3.3Å; T116-C119 WeakPolarHBondContact O-CB 3.44Å; T116-C119 PolarHBondContact O-N 2.94Å; T116-C119 VanDerWaalsContact O-N 3.16Å; C119-K121 VanDerWaalsContact C-N 3.34Å; C119-K121 PolarHBondContact O-N 2.83Å; C119-M122 WeakPolarHBondContact O-CB 3.38Å; C119-M122 PolarHBondContact O-N 2.98Å; C119-F123 WeakPolarHBondContact O-CD2 3.39Å; C119-F123 PolarHBondContact O-N 3.44Å; C119-F123 VanDerWaalsContact O-N 3.16Å; C119-C190 VanDerWaalsContact CA-SG 3.54Å; C119-C190 HydrophobicContact CB-CB 3.7Å; C119-C190 WeakPolarHBondContact CB-SG 3.12Å; C119-C190 WeakPolarHBondContact SG-CB 3.49Å; C119-C190 CovalentContact SG-SG 2.03Å; C119-C190 PolarHBondContact SG-SG 3.06Å; C119-W199 HydrophobicContact CB-CB 3.81Å
120	N	94.2	Very high	91.9	Very high	35 Å²	35	41.1 Å²	41.1	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-45.1	176.6	-71	-47	0	0	0	112.1	T116 E117 R118 M122 F123 D124 W199	T116-N120 PolarHBondContact O-N 3.47Å; T116-N120 PolarHBondContact O-ND2 3.46Å; E117-N120 PolarHBondContact O-N 2.97Å; R118-N120 VanDerWaalsContact C-N 3.29Å; R118-N120 PolarHBondContact O-N 2.88Å; N120-M122 PolarHBondContact O-N 2.69Å; N120-F123 PolarHBondContact O-N 3.44Å; N120-D124 PolarHBondContact O-N 3.32Å; N120-W199 WeakPolarHBondContact OD1-CB 3.15Å; N120-W199 PolarHBondContact OD1-N 2.96Å; N120-W199 PolarHBondContact OD1-O 3.09Å
121	K	93.9	Very high	92.3	Very high	99 Å²	99	44.1 Å²	44.1	43%	0.43	22%	0.22	S	C	.	.	H	α-helix	trans	-65.4	-37.8	177.7	-72.2	177.9	-179.9	170.1	0	113.6	N92 E117 R118 C119 F123	N92-K121 HydrophobicContact CB-CB 4.26Å; N92-K121 PolarHBondContact ND2-O 3.32Å; E117-K121 WeakPolarHBondContact O-CG 3.49Å; E117-K121 PolarHBondContact O-N 3.3Å; E117-K121 VanDerWaalsContact OE1-CE 3.23Å; E117-K121 WeakPolarHBondContact OE1-CE 3.38Å; E117-K121 IonicContact OE1-NZ 3.89Å; R118-K121 PolarHBondContact O-N 2.96Å; R118-K121 VanDerWaalsContact O-N 3.15Å; C119-K121 VanDerWaalsContact C-N 3.34Å; C119-K121 PolarHBondContact O-N 2.83Å; K121-F123 VanDerWaalsContact C-N 3.3Å; K121-F123 PolarHBondContact O-N 3.3Å
122	M	95	Very high	92.5	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.034	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-40.7	177.6	-78.1	177.8	65.2	0	0	112.1	Y33 L89 N92 A93 R118 C119 N120 V188	Y33-M122 HydrophobicContact CD2-CE 3.93Å; L89-M122 HydrophobicContact CD1-CB 3.99Å; L89-M122 HydrophobicContact CD1-CE 3.73Å; L89-M122 HydrophobicContact CG-CE 4.39Å; N92-M122 HydrophobicContact CB-CB 4.49Å; N92-M122 HydrophobicContact CB-CG 3.73Å; A93-M122 HydrophobicContact CB-CE 3.65Å; A93-M122 HydrophobicContact CB-CG 4.41Å; A93-M122 HydrophobicContact CB-SD 3.74Å; R118-M122 HydrophobicContact CG-CG 4.33Å; R118-M122 HydrophobicContact CG-SD 4.02Å; R118-M122 WeakPolarHBondContact O-CB 3.39Å; R118-M122 VanDerWaalsContact O-CG 3.3Å; R118-M122 WeakPolarHBondContact O-CG 3.04Å; R118-M122 PolarHBondContact O-N 3.02Å; C119-M122 WeakPolarHBondContact O-CB 3.38Å; C119-M122 PolarHBondContact O-N 2.98Å; N120-M122 PolarHBondContact O-N 2.69Å; M122-V188 HydrophobicContact CE-CB 4.37Å; M122-V188 HydrophobicContact CE-CG1 3.39Å; M122-V188 HydrophobicContact CE-CG2 4.03Å; M122-V188 HydrophobicContact SD-CG1 4.31Å
123	F	95.5	Very high	92.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-98.5	-3.2	-175.7	-72.1	-79.9	0	0	0	114.6	T77 V79 C119 N120 K121 K125 I126 N127 L144 V188 C190 W199	T77-F123 HydrophobicContact CG2-CE1 4.42Å; T77-F123 HydrophobicContact CG2-CZ 4.28Å; V79-F123 HydrophobicContact CG1-CE1 4.45Å; V79-F123 HydrophobicContact CG2-CE1 3.62Å; V79-F123 HydrophobicContact CG2-CZ 3.65Å; C119-F123 WeakPolarHBondContact O-CD2 3.39Å; C119-F123 PolarHBondContact O-N 3.44Å; C119-F123 VanDerWaalsContact O-N 3.16Å; N120-F123 PolarHBondContact O-N 3.44Å; K121-F123 VanDerWaalsContact C-N 3.3Å; K121-F123 PolarHBondContact O-N 3.3Å; F123-K125 VanDerWaalsContact C-N 3.34Å; F123-K125 PolarHBondContact O-N 2.94Å; F123-I126 HydrophobicContact CD1-CB 4.3Å; F123-I126 HydrophobicContact CD1-CD1 4.08Å; F123-I126 HydrophobicContact CD1-CG2 4.3Å; F123-I126 HydrophobicContact CE1-CD1 4.42Å; F123-I126 PolarHBondContact O-N 2.89Å; F123-N127 WeakPolarHBondContact O-CB 3.32Å; F123-N127 PolarHBondContact O-N 3.29Å; F123-N127 PolarHBondContact O-ND2 3.12Å; F123-N127 VanDerWaalsContact O-ND2 3.15Å; F123-L144 HydrophobicContact CD1-CD2 4.24Å; F123-L144 HydrophobicContact CE1-CD2 3.68Å; F123-V188 HydrophobicContact CE2-CB 4.49Å; F123-V188 HydrophobicContact CE2-CG1 4.01Å; F123-V188 HydrophobicContact CZ-CB 4.23Å; F123-V188 HydrophobicContact CZ-CG1 4.24Å; F123-V188 HydrophobicContact CZ-CG2 4.38Å; F123-C190 HydrophobicContact CE2-CB 3.81Å; F123-W199 HydrophobicContact CB-CD2 4.06Å; F123-W199 HydrophobicContact CB-CG 4.09Å; F123-W199 HydrophobicContact CB-CZ2 4.04Å; F123-W199 HydrophobicContact CD1-CD2 4.48Å; F123-W199 AromaticContact CD1-CE2 3.84Å; F123-W199 AromaticContact CD1-CH2 3.9Å; F123-W199 HydrophobicContact CD1-CH2 3.9Å; F123-W199 AromaticContact CD1-CZ2 3.5Å; F123-W199 HydrophobicContact CD1-CZ2 3.5Å; F123-W199 AromaticContact CD2-CD2 3.55Å; F123-W199 HydrophobicContact CD2-CD2 3.55Å; F123-W199 AromaticContact CD2-CE2 3.71Å; F123-W199 AromaticContact CD2-CE3 3.8Å; F123-W199 HydrophobicContact CD2-CE3 3.8Å; F123-W199 AromaticContact CD2-CG 3.96Å; F123-W199 HydrophobicContact CD2-CG 3.96Å; F123-W199 HydrophobicContact CD2-CH2 4.29Å; F123-W199 HydrophobicContact CD2-CZ2 4.08Å; F123-W199 HydrophobicContact CD2-CZ3 4.17Å; F123-W199 AromaticContact CE1-CH2 3.8Å; F123-W199 HydrophobicContact CE1-CH2 3.8Å; F123-W199 AromaticContact CE1-CZ2 3.91Å; F123-W199 HydrophobicContact CE1-CZ2 3.91Å; F123-W199 HydrophobicContact CE1-CZ3 4.3Å; F123-W199 HydrophobicContact CE2-CD2 4.1Å; F123-W199 AromaticContact CE2-CE3 3.86Å; F123-W199 HydrophobicContact CE2-CE3 3.86Å; F123-W199 HydrophobicContact CE2-CH2 4.21Å; F123-W199 HydrophobicContact CE2-CZ2 4.44Å; F123-W199 AromaticContact CE2-CZ3 3.93Å; F123-W199 HydrophobicContact CE2-CZ3 3.93Å; F123-W199 AromaticContact CG-CD2 3.78Å; F123-W199 HydrophobicContact CG-CD2 3.78Å; F123-W199 AromaticContact CG-CE2 3.4Å; F123-W199 HydrophobicContact CG-CE3 4.31Å; F123-W199 HydrophobicContact CG-CG 4.24Å; F123-W199 HydrophobicContact CG-CH2 4.16Å; F123-W199 AromaticContact CG-CZ2 3.6Å; F123-W199 HydrophobicContact CG-CZ2 3.6Å; F123-W199 HydrophobicContact CG-CZ3 4.49Å; F123-W199 AromaticContact CG-NE1 3.69Å; F123-W199 HydrophobicContact CZ-CE3 4.38Å; F123-W199 AromaticContact CZ-CH2 3.96Å; F123-W199 HydrophobicContact CZ-CH2 3.96Å; F123-W199 HydrophobicContact CZ-CZ2 4.36Å; F123-W199 AromaticContact CZ-CZ3 3.98Å; F123-W199 HydrophobicContact CZ-CZ3 3.98Å
124	D	92.6	Very high	92.8	Very high	122 Å²	122	47.2 Å²	47.2	65%	0.652	24%	0.237	S	C	*	.	H	α-helix	trans	-50.5	-51	-175.2	-170.5	42	0	0	0	112.7	N120	N120-D124 PolarHBondContact O-N 3.32Å
125	K	92.8	Very high	93	Very high	87 Å²	87	47.3 Å²	47.3	38%	0.378	24%	0.241	S	C	.	.	H	α-helix	trans	-75.1	-29.4	178.1	-164.9	-175.6	177.7	-177.7	0	113.6	E84 F85 D88 F123 S128	E84-K125 PolarHBondContact O-NZ 3.4Å; F85-K125 HydrophobicContact CD1-CB 4.3Å; F85-K125 HydrophobicContact CD1-CD 3.7Å; F85-K125 HydrophobicContact CD1-CG 3.71Å; F85-K125 HydrophobicContact CE1-CD 4.04Å; F85-K125 HydrophobicContact CE1-CG 3.79Å; D88-K125 VanDerWaalsContact OD2-CD 3.24Å; D88-K125 WeakPolarHBondContact OD2-CD 3.05Å; D88-K125 IonicContact OD2-NZ 3.63Å; D88-K125 PolarHBondContact OD2-NZ 2.9Å; D88-K125 VanDerWaalsContact OD2-NZ 3.13Å; F123-K125 VanDerWaalsContact C-N 3.34Å; F123-K125 PolarHBondContact O-N 2.94Å; K125-S128 PolarHBondContact O-OG 3.47Å
126	I	94.6	Very high	93.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-73.5	-37.4	179.6	-65	171.3	0	0	0	110	V79 V81 F85 L89 F123 S128 L129 A130 L143 L144	V79-I126 HydrophobicContact CG1-CD1 4.12Å; V81-I126 HydrophobicContact CG1-CD1 3.81Å; V81-I126 HydrophobicContact CG1-CG1 4.15Å; F85-I126 HydrophobicContact CB-CG1 4.29Å; F85-I126 HydrophobicContact CD1-CG1 4.36Å; L89-I126 HydrophobicContact CB-CD1 4.49Å; L89-I126 HydrophobicContact CD1-CD1 3.91Å; L89-I126 HydrophobicContact CD2-CD1 4.37Å; L89-I126 HydrophobicContact CG-CD1 4.48Å; F123-I126 HydrophobicContact CD1-CB 4.3Å; F123-I126 HydrophobicContact CD1-CD1 4.08Å; F123-I126 HydrophobicContact CD1-CG2 4.3Å; F123-I126 HydrophobicContact CE1-CD1 4.42Å; F123-I126 PolarHBondContact O-N 2.89Å; I126-S128 PolarHBondContact O-N 3.3Å; I126-S128 VanDerWaalsContact O-N 3.16Å; I126-L129 PolarHBondContact O-N 2.91Å; I126-L129 VanDerWaalsContact O-N 3.1Å; I126-A130 HydrophobicContact CG2-CB 3.77Å; I126-A130 VanDerWaalsContact O-CB 3.23Å; I126-A130 WeakPolarHBondContact O-CB 3.22Å; I126-A130 PolarHBondContact O-N 3.46Å; I126-L143 HydrophobicContact CG2-CD1 4.26Å; I126-L144 HydrophobicContact CG2-CD1 4.31Å; I126-L144 HydrophobicContact CG2-CD2 4.16Å; I126-L144 HydrophobicContact CG2-CG 4.45Å
127	N	92.7	Very high	93	Very high	47 Å²	47	50.8 Å²	50.8	25%	0.251	27%	0.265	S	S	.	.	H	α-helix	trans	-60.3	-26.6	-177.9	-73.2	-30.2	0	0	0	113.7	F123 L129 W199	F123-N127 WeakPolarHBondContact O-CB 3.32Å; F123-N127 PolarHBondContact O-N 3.29Å; F123-N127 PolarHBondContact O-ND2 3.12Å; F123-N127 VanDerWaalsContact O-ND2 3.15Å; N127-L129 VanDerWaalsContact C-N 3.3Å; N127-W199 PolarHBondContact ND2-NE1 3.37Å; N127-W199 VanDerWaalsContact ND2-NE1 3.19Å; N127-W199 PolarHBondContact OD1-NE1 3.35Å
128	S	89.9	Confident	93	Very high	89 Å²	89	52.7 Å²	52.7	62%	0.622	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-17.4	179.2	55.9	0	0	0	0	113.7	K125 I126	K125-S128 PolarHBondContact O-OG 3.47Å; I126-S128 PolarHBondContact O-N 3.3Å; I126-S128 VanDerWaalsContact O-N 3.16Å
129	L	92.8	Very high	92.9	Very high	41 Å²	41	52.8 Å²	52.8	22%	0.215	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-30.7	178	-72.5	99.9	0	0	0	113.8	F85 I126 N127 W131 G139 E140 M141	F85-L129 HydrophobicContact CE1-CD1 3.86Å; F85-L129 HydrophobicContact CZ-CD1 3.86Å; F85-L129 HydrophobicContact CZ-CD2 4.37Å; I126-L129 PolarHBondContact O-N 2.91Å; I126-L129 VanDerWaalsContact O-N 3.1Å; N127-L129 VanDerWaalsContact C-N 3.3Å; L129-W131 PolarHBondContact O-N 3.42Å; L129-G139 CarbonylContact O-C 3.45Å; L129-G139 WeakPolarHBondContact O-CA 3.35Å; L129-E140 PolarHBondContact O-N 3.14Å; L129-M141 HydrophobicContact CD2-CE 3.39Å; L129-M141 HydrophobicContact CD2-SD 3.98Å; L129-M141 PolarHBondContact O-N 2.94Å; L129-M141 VanDerWaalsContact O-N 3.12Å
130	A	93.8	Very high	92.7	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.008	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-67.3	122.5	-175.7	0	0	0	0	0	111.2	I126 S136 M141 L143 L144	I126-A130 HydrophobicContact CG2-CB 3.77Å; I126-A130 VanDerWaalsContact O-CB 3.23Å; I126-A130 WeakPolarHBondContact O-CB 3.22Å; I126-A130 PolarHBondContact O-N 3.46Å; A130-S136 WeakPolarHBondContact O-CB 3.49Å; A130-S136 PolarHBondContact O-OG 2.93Å; A130-S136 VanDerWaalsContact O-OG 3.1Å; A130-M141 CarbonylContact C-O 3.6Å; A130-M141 WeakPolarHBondContact CA-O 3.3Å; A130-L143 HydrophobicContact CB-CB 4.25Å; A130-L143 HydrophobicContact CB-CD1 4.19Å; A130-L144 HydrophobicContact CB-CD1 3.78Å; A130-L144 HydrophobicContact CB-CG 4.13Å
131	W	94	Very high	92.6	Very high	80 Å²	80	62.6 Å²	62.6	30%	0.303	33%	0.333	S	S	.	.			trans	-68.1	141.1	171.1	-179.2	86.4	0	0	0	110.6	L129 K133 P137 M141	L129-W131 PolarHBondContact O-N 3.42Å; W131-K133 HydrophobicContact CH2-CB 4.01Å; W131-K133 HydrophobicContact CZ2-CB 4.18Å; W131-P137 PolarHBondContact NE1-O 2.8Å; W131-M141 PolarHBondContact N-O 3.48Å
132	H	92.7	Very high	92.6	Very high	20 Å²	20	61 Å²	61	9%	0.093	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-159.4	133.3	157.6	177.2	-72.8	0	0	0	111	T134 C135 S136 R192	H132-T134 PolarHBondContact ND1-N 3.3Å; H132-T134 PolarHBondContact O-N 2.96Å; H132-T134 VanDerWaalsContact O-N 3.08Å; H132-C135 PolarHBondContact O-N 3.3Å; H132-S136 PolarHBondContact N-O 3.48Å; H132-S136 CarbonylContact O-C 3.06Å; H132-S136 PolarHBondContact O-N 3.09Å; H132-R192 PolarHBondContact CD2-NH2 2.91Å; H132-R192 PolarHBondContact CE1-NH2 2.99Å; H132-R192 PolarHBondContact ND1-NH2 3.27Å; H132-R192 PolarHBondContact NE2-NH2 3.22Å
133	K	90.6	Very high	92.6	Very high	118 Å²	118	60.9 Å²	60.9	51%	0.513	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-28	-61.9	177.3	-163.7	167.8	-172.7	160.6	0	116.4	W131 D159	W131-K133 HydrophobicContact CH2-CB 4.01Å; W131-K133 HydrophobicContact CZ2-CB 4.18Å; K133-D159 IonicContact NZ-OD1 3.61Å; K133-D159 PolarHBondContact NZ-OD1 3.11Å; K133-D159 IonicContact NZ-OD2 3.52Å; K133-D159 PolarHBondContact NZ-OD2 3.38Å
134	T	91.8	Very high	92.6	Very high	85 Å²	85	61.4 Å²	61.4	52%	0.521	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-53.1	-177.5	-44.1	0	0	0	0	115	H132	H132-T134 PolarHBondContact ND1-N 3.3Å; H132-T134 PolarHBondContact O-N 2.96Å; H132-T134 VanDerWaalsContact O-N 3.08Å
135	C	92.7	Very high	92.7	Very high	33 Å²	33	55.7 Å²	55.7	22%	0.223	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-20.1	-167.7	-64.4	0	0	0	0	115.4	H132 R192 C197	H132-C135 PolarHBondContact O-N 3.3Å; C135-R192 VanDerWaalsContact CB-NH2 3.32Å; C135-C197 WeakPolarHBondContact CA-SG 3.37Å; C135-C197 HydrophobicContact CB-CB 3.5Å; C135-C197 VanDerWaalsContact CB-CB 3.5Å; C135-C197 WeakPolarHBondContact CB-SG 3.49Å; C135-C197 WeakPolarHBondContact SG-CA 3.39Å; C135-C197 WeakPolarHBondContact SG-CB 3.21Å; C135-C197 CovalentContact SG-SG 2.04Å; C135-C197 PolarHBondContact SG-SG 3.4Å
136	S	93.1	Very high	92.7	Very high	19 Å²	19	52.6 Å²	52.6	13%	0.133	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-149.4	65.7	-178.9	-170.1	0	0	0	0	109.9	A130 H132 T138 G139	A130-S136 WeakPolarHBondContact O-CB 3.49Å; A130-S136 PolarHBondContact O-OG 2.93Å; A130-S136 VanDerWaalsContact O-OG 3.1Å; H132-S136 PolarHBondContact N-O 3.48Å; H132-S136 CarbonylContact O-C 3.06Å; H132-S136 PolarHBondContact O-N 3.09Å; S136-T138 PolarHBondContact O-N 3.25Å; S136-G139 PolarHBondContact O-N 3.48Å
137	P	91.2	Very high	92.6	Very high	83 Å²	83	52.5 Å²	52.5	54%	0.539	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18	-178.3	27.7	-35	0	0	0	112.8	W131	W131-P137 PolarHBondContact NE1-O 2.8Å
138	T	92.1	Very high	92.5	Very high	127 Å²	127	50.4 Å²	50.4	78%	0.779	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	3.5	178.6	57.5	0	0	0	0	113.5	S136	S136-T138 PolarHBondContact O-N 3.25Å
139	G	90.7	Very high	92.5	Very high	12 Å²	12	46.5 Å²	46.5	12%	0.124	25%	0.251	C	S	.	.			trans	-62.9	142	176.5	0	0	0	0	0	111.2	L129 S136	L129-G139 CarbonylContact O-C 3.45Å; L129-G139 WeakPolarHBondContact O-CA 3.35Å; S136-G139 PolarHBondContact O-N 3.48Å
140	E	90.7	Very high	92.1	Very high	171 Å²	171	46.9 Å²	46.9	80%	0.799	26%	0.257	S	S	*	.	S	Bend	trans	-90	-22.2	-174	-63.1	-176.9	170.7	0	0	112.6	L129	L129-E140 PolarHBondContact O-N 3.14Å
141	M	92.4	Very high	91	Very high	72 Å²	72	51.9 Å²	51.9	36%	0.355	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-125.2	141.9	-170.8	-61	-178.8	-164.9	0	0	112	L129 A130 W131 L143	L129-M141 HydrophobicContact CD2-CE 3.39Å; L129-M141 HydrophobicContact CD2-SD 3.98Å; L129-M141 PolarHBondContact O-N 2.94Å; L129-M141 VanDerWaalsContact O-N 3.12Å; A130-M141 CarbonylContact C-O 3.6Å; A130-M141 WeakPolarHBondContact CA-O 3.3Å; W131-M141 PolarHBondContact N-O 3.48Å; M141-L143 HydrophobicContact CB-CD1 4.03Å; M141-L143 HydrophobicContact CB-CD2 3.9Å; M141-L143 HydrophobicContact CB-CG 3.77Å
142	D	93	Very high	89.8	Confident	65 Å²	65	54 Å²	54	35%	0.348	32%	0.318	S	S	.	.			trans	-96.7	99.1	178.4	-173.1	21.6	0	0	0	111.3	R145	D142-R145 VanDerWaalsContact CG-NH1 3.28Å; D142-R145 IonicContact OD1-CZ 3.24Å; D142-R145 IonicContact OD1-NH1 3.24Å; D142-R145 PolarHBondContact OD1-NH1 3.42Å; D142-R145 IonicContact OD1-NH2 2.83Å; D142-R145 IonicContact OD2-CZ 2.61Å; D142-R145 IonicContact OD2-NH1 2.77Å; D142-R145 PolarHBondContact OD2-NH1 3.19Å; D142-R145 IonicContact OD2-NH2 3.74Å; D142-R145 PolarHBondContact OD2-NH2 3.46Å
143	L	95.3	Very high	89.2	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	33%	0.326	C	S	.	.			trans	-121	-13	-164.6	-58.1	-179.8	0	0	0	114.2	L80 I126 A130 M141 W183	L80-L143 PolarHBondContact N-O 2.93Å; L80-L143 WeakPolarHBondContact O-CB 3.42Å; L80-L143 VanDerWaalsContact O-CD2 3.32Å; L80-L143 WeakPolarHBondContact O-CD2 3.24Å; I126-L143 HydrophobicContact CG2-CD1 4.26Å; A130-L143 HydrophobicContact CB-CB 4.25Å; A130-L143 HydrophobicContact CB-CD1 4.19Å; M141-L143 HydrophobicContact CB-CD1 4.03Å; M141-L143 HydrophobicContact CB-CD2 3.9Å; M141-L143 HydrophobicContact CB-CG 3.77Å; L143-W183 HydrophobicContact CD2-CH2 4.35Å; L143-W183 HydrophobicContact CD2-CZ3 3.87Å
144	L	95.7	Very high	89.2	Confident	11 Å²	11	51 Å²	51	6%	0.058	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.8	-164.1	-56.1	176.8	0	0	0	111.7	T77 L78 V79 F123 I126 A130 W199	T77-L144 HydrophobicContact CG2-CB 4.19Å; T77-L144 HydrophobicContact CG2-CD2 3.98Å; L78-L144 WeakPolarHBondContact O-CA 3.32Å; V79-L144 HydrophobicContact CB-CD2 4.3Å; V79-L144 HydrophobicContact CG1-CD2 3.98Å; V79-L144 HydrophobicContact CG2-CD2 3.93Å; F123-L144 HydrophobicContact CD1-CD2 4.24Å; F123-L144 HydrophobicContact CE1-CD2 3.68Å; I126-L144 HydrophobicContact CG2-CD1 4.31Å; I126-L144 HydrophobicContact CG2-CD2 4.16Å; I126-L144 HydrophobicContact CG2-CG 4.45Å; A130-L144 HydrophobicContact CB-CD1 3.78Å; A130-L144 HydrophobicContact CB-CG 4.13Å; L144-W199 HydrophobicContact CD1-CH2 3.98Å; L144-W199 HydrophobicContact CD1-CZ2 3.82Å
145	R	94.3	Very high	89.2	Confident	3 Å²	3	47.1 Å²	47.1	1%	0.011	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.7	167.3	-65	-68.5	180	-80.7	-1.3	110.8	T77 L78 D142 V147 E158 F170 T171 F172	T77-R145 CarbonylContact C-O 3.49Å; T77-R145 WeakPolarHBondContact CA-O 3.31Å; L78-R145 HydrophobicContact CB-CB 4.25Å; L78-R145 PolarHBondContact N-O 3.33Å; L78-R145 PolarHBondContact O-N 3.25Å; D142-R145 VanDerWaalsContact CG-NH1 3.28Å; D142-R145 IonicContact OD1-CZ 3.24Å; D142-R145 IonicContact OD1-NH1 3.24Å; D142-R145 PolarHBondContact OD1-NH1 3.42Å; D142-R145 IonicContact OD1-NH2 2.83Å; D142-R145 IonicContact OD2-CZ 2.61Å; D142-R145 IonicContact OD2-NH1 2.77Å; D142-R145 PolarHBondContact OD2-NH1 3.19Å; D142-R145 IonicContact OD2-NH2 3.74Å; D142-R145 PolarHBondContact OD2-NH2 3.46Å; R145-V147 HydrophobicContact CB-CG1 4.42Å; R145-E158 IonicContact CZ-OE1 3.07Å; R145-E158 VanDerWaalsContact CZ-OE1 3.24Å; R145-E158 IonicContact NE-OE1 3.23Å; R145-E158 PolarHBondContact NE-OE1 3.3Å; R145-E158 IonicContact NH2-OE1 2.79Å; R145-E158 PolarHBondContact NH2-OE1 3.13Å; R145-F170 HydrophobicContact CG-CB 4.2Å; R145-F170 HydrophobicContact CG-CD2 4.44Å; R145-F170 HydrophobicContact CG-CG 4.47Å; R145-T171 PolarHBondContact NH2-O 2.93Å; R145-F172 HydrophobicContact CB-CZ 4.27Å; R145-F172 HydrophobicContact CG-CE1 3.89Å; R145-F172 HydrophobicContact CG-CE2 4.13Å; R145-F172 HydrophobicContact CG-CZ 3.48Å; R145-F172 VanDerWaalsContact CG-CZ 3.48Å; R145-F172 VanDerWaalsContact NH1-CE1 3.31Å
146	S	92.8	Very high	88.9	Confident	21 Å²	21	48.5 Å²	48.5	15%	0.147	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.4	170	-59.2	0	0	0	0	108.9	E157	S146-E157 VanDerWaalsContact CB-OE1 3.23Å; S146-E157 WeakPolarHBondContact CB-OE1 3.42Å; S146-E157 VanDerWaalsContact N-CD 3.33Å; S146-E157 PolarHBondContact N-OE1 3.28Å; S146-E157 VanDerWaalsContact N-OE1 3.13Å; S146-E157 PolarHBondContact N-OE2 3.23Å; S146-E157 PolarHBondContact OG-OE1 3.47Å
147	V	92.4	Very high	88.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.6	-178	-61.6	0	0	0	0	110.1	V60 T73 I75 A76 L78 R145 L187	V60-V147 HydrophobicContact CB-CB 4.13Å; V60-V147 HydrophobicContact CB-CG1 3.89Å; V60-V147 HydrophobicContact CG1-CB 3.66Å; V60-V147 HydrophobicContact CG1-CG1 3.91Å; V60-V147 HydrophobicContact CG1-CG2 4.07Å; V60-V147 HydrophobicContact CG2-CG1 4.22Å; T73-V147 CarbonylContact O-C 3.59Å; I75-V147 PolarHBondContact N-O 3.32Å; A76-V147 HydrophobicContact CB-CG2 3.89Å; A76-V147 PolarHBondContact N-O 3.15Å; A76-V147 WeakPolarHBondContact O-CG2 3.35Å; A76-V147 PolarHBondContact O-N 2.68Å; L78-V147 HydrophobicContact CB-CG1 3.93Å; L78-V147 HydrophobicContact CB-CG2 4.39Å; R145-V147 HydrophobicContact CB-CG1 4.42Å; V147-L187 HydrophobicContact CG2-CD2 3.76Å
148	P	91.3	Very high	88.8	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.019	28%	0.283	C	S	.	.	S	Bend	cis	-76.4	149.4	7.7	36.9	-39.1	0	0	0	112	V60 L62 V72 T73 I75	V60-P148 CarbonylContact O-C 3.58Å; V60-P148 WeakPolarHBondContact O-CA 3.4Å; L62-P148 HydrophobicContact CD1-CG 3.84Å; L62-P148 HydrophobicContact CD2-CB 4.39Å; L62-P148 HydrophobicContact CD2-CG 4Å; L62-P148 HydrophobicContact CG-CB 3.91Å; L62-P148 HydrophobicContact CG-CG 3.59Å; V72-P148 VanDerWaalsContact O-CG 3.26Å; V72-P148 WeakPolarHBondContact O-CG 3.32Å; T73-P148 CarbonylContact C-O 3.53Å; T73-P148 WeakPolarHBondContact CA-O 3.48Å; I75-P148 HydrophobicContact CD1-CG 4.32Å
149	C	89.1	Confident	88.5	Confident	8 Å²	8	44.7 Å²	44.7	5%	0.054	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-79.3	157.5	174.9	-48.5	0	0	0	0	109.7	V60 N61 S151 C155 Q169	V60-C149 PolarHBondContact O-N 3.36Å; N61-C149 PolarHBondContact OD1-O 2.89Å; C149-S151 PolarHBondContact O-N 2.95Å; C149-C155 HydrophobicContact CB-CB 3.98Å; C149-C155 WeakPolarHBondContact CB-SG 3.27Å; C149-C155 WeakPolarHBondContact SG-CB 3.48Å; C149-C155 CovalentContact SG-SG 2.01Å; C149-C155 PolarHBondContact SG-SG 3.44Å; C149-Q169 HydrophobicContact CB-CB 3.96Å; C149-Q169 HydrophobicContact CB-CG 4.35Å
150	S	83.4	Confident	88.4	Confident	49 Å²	49	47.3 Å²	47.3	34%	0.343	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-62.6	137.7	178.5	66.9	0	0	0	0	110.4	S152 G153 Q169	S150-S152 PolarHBondContact O-N 3.43Å; S150-G153 PolarHBondContact O-N 3.31Å; S150-G153 WeakPolarHBondContact OG-CA 3.46Å; S150-G153 PolarHBondContact OG-N 2.93Å; S150-Q169 PolarHBondContact O-NE2 3.46Å
151	S	70.7	Confident	88.3	Confident	106 Å²	106	43.3 Å²	43.3	74%	0.741	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-16.2	-165.6	55.2	0	0	0	0	116.4	C149	C149-S151 PolarHBondContact O-N 2.95Å
152	S	69.2	Low	88.2	Confident	123 Å²	123	48.1 Å²	48.1	86%	0.86	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.5	6.8	177.7	54.1	0	0	0	0	113.4	S150	S150-S152 PolarHBondContact O-N 3.43Å
153	G	81.3	Confident	88	Confident	25 Å²	25	48.7 Å²	48.7	26%	0.258	30%	0.302	S	S	.	.	S	Bend	trans	-120.7	177.2	-178	0	0	0	0	0	111.7	S150 Q169	S150-G153 PolarHBondContact O-N 3.31Å; S150-G153 WeakPolarHBondContact OG-CA 3.46Å; S150-G153 PolarHBondContact OG-N 2.93Å; G153-Q169 WeakPolarHBondContact O-CG 3.42Å
154	L	90.1	Very high	87.9	Confident	51 Å²	51	49 Å²	49	27%	0.267	30%	0.304	S	S	.	.			trans	-73.5	164.7	173.9	-49.4	176.3	0	0	0	110.4	E158 P161 V164 Q169	L154-E158 HydrophobicContact CB-CB 3.66Å; L154-E158 HydrophobicContact CD1-CB 4.08Å; L154-E158 HydrophobicContact CG-CB 4.42Å; L154-P161 HydrophobicContact CD1-CB 4.04Å; L154-V164 HydrophobicContact CD1-CG2 4.4Å; L154-V164 HydrophobicContact CD2-CB 4.22Å; L154-V164 HydrophobicContact CD2-CG1 4.13Å; L154-V164 HydrophobicContact CD2-CG2 4.11Å; L154-Q169 CarbonylContact C-O 3.36Å; L154-Q169 VanDerWaalsContact CA-O 3.31Å; L154-Q169 WeakPolarHBondContact CA-O 3.33Å
155	C	91.2	Very high	87.7	Confident	3 Å²	3	49 Å²	49	2%	0.02	31%	0.305	C	S	.	.			trans	-67.2	158.5	169	-51.8	0	0	0	0	110.1	C149 E157 E158 Q169 F170	C149-C155 HydrophobicContact CB-CB 3.98Å; C149-C155 WeakPolarHBondContact CB-SG 3.27Å; C149-C155 WeakPolarHBondContact SG-CB 3.48Å; C149-C155 CovalentContact SG-SG 2.01Å; C149-C155 PolarHBondContact SG-SG 3.44Å; C155-E157 PolarHBondContact O-N 3.26Å; C155-E157 VanDerWaalsContact O-N 3.08Å; C155-E158 HydrophobicContact CB-CG 4.27Å; C155-E158 WeakPolarHBondContact O-CB 3.35Å; C155-E158 PolarHBondContact O-N 3.01Å; C155-Q169 PolarHBondContact N-O 3.02Å; C155-Q169 PolarHBondContact SG-O 3.4Å; C155-Q169 VanDerWaalsContact SG-O 3.37Å; C155-F170 HydrophobicContact CB-CB 4.37Å
156	A	87.7	Confident	87.6	Confident	63 Å²	63	52.6 Å²	52.6	52%	0.521	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.3	-169.2	0	0	0	0	0	114.2
157	E	89.6	Confident	87.4	Confident	23 Å²	23	59.5 Å²	59.5	11%	0.107	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.7	179.3	-61.4	78.1	-170.2	0	0	113.9	S146 C155 D159	S146-E157 VanDerWaalsContact CB-OE1 3.23Å; S146-E157 WeakPolarHBondContact CB-OE1 3.42Å; S146-E157 VanDerWaalsContact N-CD 3.33Å; S146-E157 PolarHBondContact N-OE1 3.28Å; S146-E157 VanDerWaalsContact N-OE1 3.13Å; S146-E157 PolarHBondContact N-OE2 3.23Å; S146-E157 PolarHBondContact OG-OE1 3.47Å; C155-E157 PolarHBondContact O-N 3.26Å; C155-E157 VanDerWaalsContact O-N 3.08Å; E157-D159 PolarHBondContact O-N 3.38Å
158	E	90.8	Very high	87.4	Confident	24 Å²	24	60.4 Å²	60.4	11%	0.112	37%	0.37	C	S	.	.			trans	-92.4	99.5	-179.2	-60.9	-72.1	-178.9	0	0	109.6	R145 L154 C155 V164 F170 T171	R145-E158 IonicContact CZ-OE1 3.07Å; R145-E158 VanDerWaalsContact CZ-OE1 3.24Å; R145-E158 IonicContact NE-OE1 3.23Å; R145-E158 PolarHBondContact NE-OE1 3.3Å; R145-E158 IonicContact NH2-OE1 2.79Å; R145-E158 PolarHBondContact NH2-OE1 3.13Å; L154-E158 HydrophobicContact CB-CB 3.66Å; L154-E158 HydrophobicContact CD1-CB 4.08Å; L154-E158 HydrophobicContact CG-CB 4.42Å; C155-E158 HydrophobicContact CB-CG 4.27Å; C155-E158 WeakPolarHBondContact O-CB 3.35Å; C155-E158 PolarHBondContact O-N 3.01Å; E158-V164 HydrophobicContact CB-CG2 4.17Å; E158-V164 HydrophobicContact CG-CG2 4.14Å; E158-V164 WeakPolarHBondContact OE2-CG2 3.46Å; E158-F170 HydrophobicContact CG-CB 4.21Å; E158-F170 WeakPolarHBondContact OE1-CA 3.36Å; E158-T171 PolarHBondContact OE1-N 2.89Å
159	D	86.2	Confident	87.5	Confident	102 Å²	102	60.8 Å²	60.8	55%	0.545	37%	0.372	S	S	.	.			trans	-87.7	-24.8	-177.5	-74.1	-39.4	0	0	0	113.1	K133 E157	K133-D159 IonicContact NZ-OD1 3.61Å; K133-D159 PolarHBondContact NZ-OD1 3.11Å; K133-D159 IonicContact NZ-OD2 3.52Å; K133-D159 PolarHBondContact NZ-OD2 3.38Å; E157-D159 PolarHBondContact O-N 3.38Å
160	D	88.4	Confident	87.7	Confident	66 Å²	66	60.4 Å²	60.4	35%	0.353	37%	0.369	S	S	.	.			trans	-119.3	114.3	-175	173.5	29.9	0	0	0	111.5	E162 S163	D160-E162 PolarHBondContact O-N 3.17Å; D160-E162 PolarHBondContact OD1-N 3.23Å; D160-S163 PolarHBondContact O-N 3.41Å; D160-S163 PolarHBondContact OD2-N 2.87Å; D160-S163 PolarHBondContact OD2-OG 3.39Å
161	P	89.7	Confident	88.3	Confident	87 Å²	87	58.4 Å²	58.4	57%	0.565	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-65.9	-21.9	178.1	27.3	-34.8	0	0	0	113.8	L154 S163 V164	L154-P161 HydrophobicContact CD1-CB 4.04Å; P161-S163 VanDerWaalsContact C-N 3.28Å; P161-V164 PolarHBondContact O-N 2.9Å
162	E	90.1	Very high	89.5	Confident	174 Å²	174	53.4 Å²	53.4	81%	0.813	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-71.9	-26.8	178.6	-63	-168.8	167.6	0	0	112.3	D160 V164	D160-E162 PolarHBondContact O-N 3.17Å; D160-E162 PolarHBondContact OD1-N 3.23Å; E162-V164 VanDerWaalsContact C-N 3.26Å; E162-V164 PolarHBondContact O-N 2.9Å
163	S	88.7	Confident	90.7	Very high	76 Å²	76	50.8 Å²	50.8	53%	0.531	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-77	-12.6	176.6	-63.9	0	0	0	0	113.1	D160 P161	D160-S163 PolarHBondContact O-N 3.41Å; D160-S163 PolarHBondContact OD2-N 2.87Å; D160-S163 PolarHBondContact OD2-OG 3.39Å; P161-S163 VanDerWaalsContact C-N 3.28Å
164	V	92.9	Very high	91.3	Very high	10 Å²	10	49.9 Å²	49.9	6%	0.061	29%	0.288	C	S	.	.	S	Bend	trans	-99.9	136.4	-178.1	-179.7	0	0	0	0	110.7	L154 E158 P161 E162	L154-V164 HydrophobicContact CD1-CG2 4.4Å; L154-V164 HydrophobicContact CD2-CB 4.22Å; L154-V164 HydrophobicContact CD2-CG1 4.13Å; L154-V164 HydrophobicContact CD2-CG2 4.11Å; E158-V164 HydrophobicContact CB-CG2 4.17Å; E158-V164 HydrophobicContact CG-CG2 4.14Å; E158-V164 WeakPolarHBondContact OE2-CG2 3.46Å; P161-V164 PolarHBondContact O-N 2.9Å; E162-V164 VanDerWaalsContact C-N 3.26Å; E162-V164 PolarHBondContact O-N 2.9Å
165	V	92.4	Very high	91.4	Very high	13 Å²	13	51.3 Å²	51.3	8%	0.079	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-57.3	131.9	175.8	175.6	0	0	0	0	109.9	Y57 N167 S168 T171 P234	Y57-V165 HydrophobicContact CD1-CG2 4.04Å; Y57-V165 HydrophobicContact CD2-CB 3.99Å; Y57-V165 HydrophobicContact CD2-CG1 3.75Å; Y57-V165 HydrophobicContact CD2-CG2 4.39Å; Y57-V165 HydrophobicContact CE2-CG1 3.9Å; Y57-V165 HydrophobicContact CG-CB 3.92Å; Y57-V165 HydrophobicContact CG-CG1 4.08Å; Y57-V165 HydrophobicContact CG-CG2 3.87Å; V165-N167 PolarHBondContact O-N 3.11Å; V165-S168 WeakPolarHBondContact O-CB 3.12Å; V165-S168 PolarHBondContact O-N 3.21Å; V165-S168 PolarHBondContact O-OG 3.46Å; V165-T171 HydrophobicContact CG2-CG2 3.96Å; V165-T171 PolarHBondContact N-OG1 2.95Å; V165-P234 HydrophobicContact CG1-CB 4.19Å; V165-P234 HydrophobicContact CG1-CG 3.96Å; V165-P234 HydrophobicContact CG2-CG 3.97Å
166	P	90.6	Very high	91.4	Very high	77 Å²	77	52.2 Å²	52.2	50%	0.5	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	138.8	-178.3	-28.9	34.9	0	0	0	113.4	S168	P166-S168 VanDerWaalsContact C-N 3.26Å; P166-S168 PolarHBondContact O-N 3.27Å
167	N	88.6	Confident	91.6	Very high	167 Å²	167	53 Å²	53	89%	0.893	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	18.2	-175	-49.1	-58.1	0	0	0	115.6	V165	V165-N167 PolarHBondContact O-N 3.11Å
168	S	92.5	Very high	91.6	Very high	19 Å²	19	58.6 Å²	58.6	13%	0.133	31%	0.313	C	S	.	.			trans	-114.7	160.6	174.9	-49	0	0	0	0	110.9	Y57 V165 P166	Y57-S168 WeakPolarHBondContact CD2-OG 3.09Å; V165-S168 WeakPolarHBondContact O-CB 3.12Å; V165-S168 PolarHBondContact O-N 3.21Å; V165-S168 PolarHBondContact O-OG 3.46Å; P166-S168 VanDerWaalsContact C-N 3.26Å; P166-S168 PolarHBondContact O-N 3.27Å
169	Q	93.5	Very high	91.5	Very high	11 Å²	11	58.6 Å²	58.6	5%	0.051	31%	0.313	C	S	.	.	S	Bend	trans	-98	-23.3	177.6	-65.1	175.6	-57.8	0	0	112.7	G58 T59 N61 C149 S150 G153 L154 C155	G58-Q169 PolarHBondContact O-N 3.2Å; T59-Q169 HydrophobicContact CG2-CG 4.05Å; N61-Q169 PolarHBondContact ND2-OE1 3.02Å; N61-Q169 PolarHBondContact OD1-NE2 3.29Å; N61-Q169 PolarHBondContact OD1-OE1 3.48Å; C149-Q169 HydrophobicContact CB-CB 3.96Å; C149-Q169 HydrophobicContact CB-CG 4.35Å; S150-Q169 PolarHBondContact O-NE2 3.46Å; G153-Q169 WeakPolarHBondContact O-CG 3.42Å; L154-Q169 CarbonylContact C-O 3.36Å; L154-Q169 VanDerWaalsContact CA-O 3.31Å; L154-Q169 WeakPolarHBondContact CA-O 3.33Å; C155-Q169 PolarHBondContact N-O 3.02Å; C155-Q169 PolarHBondContact SG-O 3.4Å; C155-Q169 VanDerWaalsContact SG-O 3.37Å
170	F	95.1	Very high	91.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	162.9	175.5	67.1	-78.5	0	0	0	111	I56 Y57 G58 V60 L78 R145 C155 E158 F172 I227	I56-F170 HydrophobicContact CG2-CE2 4.26Å; Y57-F170 WeakPolarHBondContact CA-O 3.44Å; Y57-F170 WeakPolarHBondContact CB-O 3.42Å; G58-F170 PolarHBondContact N-O 3.29Å; G58-F170 WeakPolarHBondContact O-CD1 3.38Å; G58-F170 WeakPolarHBondContact O-CE1 3.3Å; V60-F170 HydrophobicContact CG2-CE1 3.82Å; V60-F170 HydrophobicContact CG2-CZ 4.46Å; L78-F170 HydrophobicContact CD2-CD2 4.14Å; L78-F170 HydrophobicContact CD2-CE1 4.05Å; L78-F170 HydrophobicContact CD2-CE2 3.5Å; L78-F170 HydrophobicContact CD2-CZ 3.45Å; L78-F170 VanDerWaalsContact CD2-CZ 3.45Å; R145-F170 HydrophobicContact CG-CB 4.2Å; R145-F170 HydrophobicContact CG-CD2 4.44Å; R145-F170 HydrophobicContact CG-CG 4.47Å; C155-F170 HydrophobicContact CB-CB 4.37Å; E158-F170 HydrophobicContact CG-CB 4.21Å; E158-F170 WeakPolarHBondContact OE1-CA 3.36Å; F170-F172 AromaticContact CD2-CD2 3.96Å; F170-F172 HydrophobicContact CD2-CD2 3.96Å; F170-F172 AromaticContact CD2-CE2 3.96Å; F170-F172 HydrophobicContact CD2-CE2 3.96Å; F170-F172 AromaticContact CE2-CD2 3.9Å; F170-F172 HydrophobicContact CE2-CD2 3.9Å; F170-F172 AromaticContact CE2-CE2 3.92Å; F170-F172 HydrophobicContact CE2-CE2 3.92Å; F170-I227 HydrophobicContact CE1-CG1 4.48Å; F170-I227 HydrophobicContact CZ-CD1 4.13Å; F170-I227 HydrophobicContact CZ-CG1 4.02Å; F170-I227 HydrophobicContact CZ-CG2 4.07Å
171	T	95.2	Very high	91.8	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.037	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	124.1	168.5	-64.8	0	0	0	0	109.7	Y55 I56 Y57 R145 E158 V165 V173	Y55-T171 HydrophobicContact CD1-CG2 3.97Å; I56-T171 CarbonylContact O-C 3.59Å; I56-T171 VanDerWaalsContact O-CA 3.32Å; I56-T171 WeakPolarHBondContact O-CA 3.45Å; Y57-T171 WeakPolarHBondContact CB-OG1 3.44Å; R145-T171 PolarHBondContact NH2-O 2.93Å; E158-T171 PolarHBondContact OE1-N 2.89Å; V165-T171 HydrophobicContact CG2-CG2 3.96Å; V165-T171 PolarHBondContact N-OG1 2.95Å; T171-V173 HydrophobicContact CG2-CG2 4.09Å
172	F	95.7	Very high	92	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	135.3	161.2	-61.1	-73.4	0	0	0	109.6	Y55 I56 L78 L80 R145 F170 L185	Y55-F172 WeakPolarHBondContact CA-O 3.05Å; I56-F172 HydrophobicContact CB-CB 4.17Å; I56-F172 HydrophobicContact CB-CD2 4.19Å; I56-F172 HydrophobicContact CG2-CD2 4.23Å; I56-F172 PolarHBondContact N-O 2.94Å; I56-F172 PolarHBondContact O-N 3.24Å; L78-F172 HydrophobicContact CD2-CE2 3.81Å; L78-F172 HydrophobicContact CG-CE2 4.16Å; L80-F172 HydrophobicContact CB-CD1 4.46Å; L80-F172 HydrophobicContact CB-CD2 4.25Å; L80-F172 HydrophobicContact CB-CE1 4.37Å; L80-F172 HydrophobicContact CB-CE2 4.15Å; L80-F172 HydrophobicContact CB-CG 4.39Å; L80-F172 HydrophobicContact CB-CZ 4.19Å; L80-F172 HydrophobicContact CD2-CB 3.46Å; L80-F172 VanDerWaalsContact CD2-CB 3.46Å; L80-F172 HydrophobicContact CD2-CD1 4.01Å; L80-F172 HydrophobicContact CD2-CD2 3.95Å; L80-F172 HydrophobicContact CD2-CG 3.56Å; R145-F172 HydrophobicContact CB-CZ 4.27Å; R145-F172 HydrophobicContact CG-CE1 3.89Å; R145-F172 HydrophobicContact CG-CE2 4.13Å; R145-F172 HydrophobicContact CG-CZ 3.48Å; R145-F172 VanDerWaalsContact CG-CZ 3.48Å; R145-F172 VanDerWaalsContact NH1-CE1 3.31Å; F170-F172 AromaticContact CD2-CD2 3.96Å; F170-F172 HydrophobicContact CD2-CD2 3.96Å; F170-F172 AromaticContact CD2-CE2 3.96Å; F170-F172 HydrophobicContact CD2-CE2 3.96Å; F170-F172 AromaticContact CE2-CD2 3.9Å; F170-F172 HydrophobicContact CE2-CD2 3.9Å; F170-F172 AromaticContact CE2-CE2 3.92Å; F170-F172 HydrophobicContact CE2-CE2 3.92Å; F172-L185 HydrophobicContact CE2-CD1 4.42Å
173	V	94.5	Very high	92.2	Very high	69 Å²	69	45.8 Å²	45.8	42%	0.418	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.1	173.1	-176.3	0	0	0	0	108.5	R53 Y55 T171	R53-V173 HydrophobicContact CB-CG1 4.35Å; R53-V173 HydrophobicContact CG-CG1 4.45Å; Y55-V173 HydrophobicContact CD1-CG2 4.01Å; Y55-V173 HydrophobicContact CE1-CG1 4.23Å; Y55-V173 HydrophobicContact CE1-CG2 3.74Å; T171-V173 HydrophobicContact CG2-CG2 4.09Å
174	V	93.9	Very high	92.5	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.8	179.1	175.3	0	0	0	0	109.2	F41 G54 L80 W183	F41-V174 HydrophobicContact CB-CG1 4.29Å; F41-V174 HydrophobicContact CD2-CB 3.95Å; F41-V174 HydrophobicContact CD2-CG1 3.72Å; F41-V174 HydrophobicContact CD2-CG2 4.02Å; F41-V174 HydrophobicContact CE2-CB 4.18Å; F41-V174 HydrophobicContact CE2-CG1 4.37Å; F41-V174 HydrophobicContact CE2-CG2 3.8Å; F41-V174 HydrophobicContact CG-CB 4.34Å; F41-V174 HydrophobicContact CG-CG1 4.15Å; F41-V174 HydrophobicContact CZ-CG2 4.44Å; G54-V174 PolarHBondContact N-O 2.89Å; G54-V174 PolarHBondContact O-N 3.23Å; L80-V174 HydrophobicContact CD2-CG2 3.84Å; V174-W183 HydrophobicContact CG1-CD2 4.02Å; V174-W183 HydrophobicContact CG1-CG 4.25Å; V174-W183 HydrophobicContact CG1-CZ2 3.7Å; V174-W183 HydrophobicContact CG2-CD2 4.16Å; V174-W183 HydrophobicContact CG2-CE3 4.41Å
175	Q	92.8	Very high	92.7	Very high	82 Å²	82	44.2 Å²	44.2	38%	0.383	22%	0.217	S	C	.	.			trans	-126.9	114.8	178.1	175.7	171.2	-22.7	0	0	110.9	T44 R53 L177	T44-Q175 HydrophobicContact CG2-CG 4.07Å; R53-Q175 HydrophobicContact CG-CB 4.29Å; Q175-L177 HydrophobicContact CG-CD2 4.28Å; Q175-L177 HydrophobicContact CG-CG 4.25Å
176	D	91.2	Very high	92.9	Very high	22 Å²	22	43.6 Å²	43.6	12%	0.118	21%	0.214	C	C	.	.			trans	-125.1	93.5	179.8	-82.4	-56.4	0	0	0	110.6	R43 T44 Q179 R181 W183	R43-D176 CarbonylContact C-O 3.55Å; R43-D176 WeakPolarHBondContact CA-O 3.22Å; R43-D176 WeakPolarHBondContact CG-O 3.44Å; T44-D176 PolarHBondContact N-O 3.45Å; T44-D176 PolarHBondContact OG1-N 3.37Å; T44-D176 VanDerWaalsContact OG1-N 3.16Å; D176-Q179 WeakPolarHBondContact CB-O 3.31Å; D176-R181 WeakPolarHBondContact OD1-CD 3.29Å; D176-W183 PolarHBondContact OD2-NE1 2.93Å
177	L	91.2	Very high	93.2	Very high	80 Å²	80	39.9 Å²	39.9	42%	0.419	19%	0.19	S	C	.	.	S	Bend	trans	-74.2	-26.1	-176.4	-64.3	177.7	0	0	0	113.6	R43 T44 I46 Q175	R43-L177 WeakPolarHBondContact CD-O 3.4Å; T44-L177 HydrophobicContact CG2-CD2 4.21Å; I46-L177 HydrophobicContact CG1-CD2 3.9Å; Q175-L177 HydrophobicContact CG-CD2 4.28Å; Q175-L177 HydrophobicContact CG-CG 4.25Å
178	R	88.6	Confident	93.5	Very high	139 Å²	139	32 Å²	32	53%	0.525	15%	0.147	S	C	.	.	S	Bend	trans	-84.8	-49.8	-172.9	-69.2	-174.5	69	159.9	-0.8	112.3	R443 L447	R178-R443 WeakPolarHBondContact O-CD 3.37Å; R178-R443 PolarHBondContact O-NH1 3.4Å; R178-L447 VanDerWaalsContact NH2-CB 3.27Å; R178-L447 PolarHBondContact NH2-OXT 3.44Å
179	Q	89.3	Confident	93.6	Very high	25 Å²	25	31.1 Å²	31.1	12%	0.117	14%	0.141	C	C	.	.	S	Bend	trans	-159.1	155.4	-173.1	66	-175.7	30.6	0	0	110.1	D176 R181	D176-Q179 WeakPolarHBondContact CB-O 3.31Å; Q179-R181 HydrophobicContact CG-CG 4.11Å
180	P	90.5	Very high	93.6	Very high	15 Å²	15	30.8 Å²	30.8	10%	0.097	14%	0.14	C	C	.	.			trans	-60.5	145.1	168.9	28.5	-35.1	0	0	0	110.6	F41 F248	F41-P180 VanDerWaalsContact O-CA 3.25Å; F41-P180 WeakPolarHBondContact O-CA 3.33Å; F41-P180 VanDerWaalsContact O-CB 3.24Å; F41-P180 WeakPolarHBondContact O-CB 3.42Å; P180-F248 HydrophobicContact CB-CB 4.34Å; P180-F248 HydrophobicContact CB-CD1 3.82Å; P180-F248 HydrophobicContact CB-CD2 3.92Å; P180-F248 HydrophobicContact CB-CE1 4.16Å; P180-F248 HydrophobicContact CB-CE2 4.22Å; P180-F248 HydrophobicContact CB-CG 3.75Å; P180-F248 HydrophobicContact CB-CZ 4.35Å; P180-F248 HydrophobicContact CG-CD2 4.15Å; P180-F248 HydrophobicContact CG-CE2 4.19Å; P180-F248 HydrophobicContact CG-CG 4.48Å
181	R	91	Very high	93.5	Very high	59 Å²	59	33.6 Å²	33.6	22%	0.223	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.4	-178.1	-71	-171.7	171.4	-151.5	-5.2	111.4	G40 F41 D82 E84 D176 Q179	G40-R181 WeakPolarHBondContact CA-O 3.34Å; F41-R181 PolarHBondContact N-O 2.89Å; F41-R181 PolarHBondContact O-N 2.8Å; D82-R181 IonicContact OD2-NH1 3.36Å; D82-R181 PolarHBondContact OD2-NH1 3.49Å; D82-R181 VanDerWaalsContact OD2-NH1 3.07Å; E84-R181 IonicContact OE1-CZ 2.83Å; E84-R181 IonicContact OE1-NH1 2.81Å; E84-R181 PolarHBondContact OE1-NH1 2.89Å; E84-R181 IonicContact OE1-NH2 2.74Å; D176-R181 WeakPolarHBondContact OD1-CD 3.29Å; Q179-R181 HydrophobicContact CG-CG 4.11Å
182	Y	93	Very high	93.3	Very high	59 Å²	59	34.4 Å²	34.4	23%	0.231	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.5	168.3	-69.7	-69.5	0	0	0	110.2	F39 F248 E249	F39-Y182 WeakPolarHBondContact O-CA 3.39Å; Y182-F248 HydrophobicContact CD1-CE1 4.23Å; Y182-F248 HydrophobicContact CD2-CE1 4.4Å; Y182-F248 AromaticContact CE1-CE1 3.89Å; Y182-F248 HydrophobicContact CE1-CE1 3.89Å; Y182-F248 HydrophobicContact CE1-CZ 4.39Å; Y182-F248 HydrophobicContact CE2-CE1 4.07Å; Y182-F248 AromaticContact CE2-CZ 3.99Å; Y182-F248 HydrophobicContact CE2-CZ 3.99Å; Y182-F248 HydrophobicContact CG-CE1 4.48Å; Y182-F248 AromaticContact CZ-CE1 3.81Å; Y182-F248 AromaticContact CZ-CZ 3.85Å; Y182-E249 WeakPolarHBondContact CE1-OE2 3.17Å; Y182-E249 WeakPolarHBondContact OH-CB 3.39Å; Y182-E249 WeakPolarHBondContact OH-CG 3.47Å
183	W	95	Very high	93.1	Very high	26 Å²	26	36.2 Å²	36.2	10%	0.098	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147.6	172.5	-72.3	77.1	0	0	0	109.4	K38 F39 F41 L80 V81 D82 L143 V174 D176	K38-W183 CarbonylContact C-O 3.53Å; K38-W183 WeakPolarHBondContact CA-O 3.48Å; F39-W183 PolarHBondContact N-O 3.23Å; F39-W183 PolarHBondContact O-N 3.47Å; F41-W183 HydrophobicContact CD2-CB 3.94Å; F41-W183 AromaticContact CD2-CD1 3.52Å; F41-W183 AromaticContact CD2-CG 3.81Å; F41-W183 HydrophobicContact CD2-CG 3.81Å; F41-W183 HydrophobicContact CE2-CB 3.8Å; F41-W183 HydrophobicContact CE2-CG 4.05Å; L80-W183 HydrophobicContact CD1-CB 3.98Å; L80-W183 HydrophobicContact CD1-CD2 4.48Å; L80-W183 HydrophobicContact CD1-CE3 3.81Å; L80-W183 HydrophobicContact CD2-CE3 4.21Å; L80-W183 HydrophobicContact CD2-CZ3 4.44Å; L80-W183 HydrophobicContact CG-CE3 3.67Å; L80-W183 HydrophobicContact CG-CZ3 4.07Å; V81-W183 CarbonylContact O-C 3.57Å; V81-W183 WeakPolarHBondContact O-CA 3.04Å; D82-W183 HydrophobicContact CB-CD2 4.24Å; D82-W183 HydrophobicContact CB-CE3 4.36Å; D82-W183 HydrophobicContact CB-CZ2 4.47Å; L143-W183 HydrophobicContact CD2-CH2 4.35Å; L143-W183 HydrophobicContact CD2-CZ3 3.87Å; V174-W183 HydrophobicContact CG1-CD2 4.02Å; V174-W183 HydrophobicContact CG1-CG 4.25Å; V174-W183 HydrophobicContact CG1-CZ2 3.7Å; V174-W183 HydrophobicContact CG2-CD2 4.16Å; V174-W183 HydrophobicContact CG2-CE3 4.41Å; D176-W183 PolarHBondContact OD2-NE1 2.93Å
184	Y	95.7	Very high	92.8	Very high	52 Å²	52	37 Å²	37	20%	0.204	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.2	-170.3	-60.6	-95.4	0	0	0	108.1	F35 K38 L80 V81 I86	F35-Y184 AromaticContact CE2-CD1 3.81Å; F35-Y184 HydrophobicContact CE2-CD1 3.81Å; F35-Y184 HydrophobicContact CZ-CD1 4.08Å; K38-Y184 HydrophobicContact CB-CD1 3.81Å; K38-Y184 HydrophobicContact CB-CE1 3.82Å; L80-Y184 WeakPolarHBondContact CA-O 3.2Å; V81-Y184 PolarHBondContact N-O 3.23Å; V81-Y184 PolarHBondContact O-N 3.03Å; I86-Y184 HydrophobicContact CB-CD2 4.01Å; I86-Y184 HydrophobicContact CB-CG 4.01Å; I86-Y184 HydrophobicContact CD1-CG 4.27Å; I86-Y184 HydrophobicContact CG1-CD1 3.94Å; I86-Y184 HydrophobicContact CG1-CD2 4.26Å; I86-Y184 HydrophobicContact CG1-CG 3.75Å; I86-Y184 HydrophobicContact CG2-CD1 4.49Å; I86-Y184 HydrophobicContact CG2-CD2 3.89Å; I86-Y184 HydrophobicContact CG2-CE1 4.5Å; I86-Y184 HydrophobicContact CG2-CE2 3.93Å; I86-Y184 HydrophobicContact CG2-CG 4.19Å
185	L	96.4	Very high	92.7	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.2	179.9	-167.3	72.4	0	0	0	109.2	L23 L36 T37 I56 L78 V79 L80 F172 I227	L23-L185 HydrophobicContact CD1-CD2 4.25Å; L36-L185 HydrophobicContact CB-CB 4.41Å; L36-L185 HydrophobicContact CB-CD2 4.45Å; L36-L185 HydrophobicContact CB-CG 4.48Å; L36-L185 VanDerWaalsContact CB-O 3.31Å; L36-L185 WeakPolarHBondContact CB-O 3.13Å; L36-L185 HydrophobicContact CD1-CD2 3.85Å; L36-L185 HydrophobicContact CD1-CG 3.98Å; L36-L185 PolarHBondContact N-O 3.45Å; T37-L185 HydrophobicContact CG2-CB 4.37Å; T37-L185 PolarHBondContact N-O 2.8Å; T37-L185 PolarHBondContact O-N 2.86Å; I56-L185 HydrophobicContact CG2-CD1 4.42Å; I56-L185 HydrophobicContact CG2-CD2 4.2Å; L78-L185 HydrophobicContact CD1-CD1 3.81Å; L78-L185 HydrophobicContact CD1-CD2 4.27Å; L78-L185 HydrophobicContact CD1-CG 3.92Å; L78-L185 HydrophobicContact CD2-CD1 4.45Å; L78-L185 HydrophobicContact CG-CD1 4.03Å; V79-L185 WeakPolarHBondContact O-CA 3.12Å; L80-L185 HydrophobicContact CB-CD1 4.21Å; L80-L185 HydrophobicContact CD1-CD1 4.3Å; F172-L185 HydrophobicContact CE2-CD1 4.42Å; L185-I227 HydrophobicContact CD2-CD1 4Å; L185-I227 HydrophobicContact CD2-CG2 3.94Å
186	S	96.5	Very high	92.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150	-178.7	-63.7	0	0	0	0	111.8	Y33 L34 V79	Y33-S186 PolarHBondContact OH-OG 3.43Å; L34-S186 CarbonylContact O-C 3.52Å; L34-S186 VanDerWaalsContact O-CA 3.28Å; L34-S186 WeakPolarHBondContact O-CA 3.43Å; L34-S186 WeakPolarHBondContact O-CB 3.42Å; V79-S186 PolarHBondContact N-O 2.8Å; V79-S186 PolarHBondContact O-N 3.49Å
187	L	96.3	Very high	92.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.6	167	-76.8	166.8	0	0	0	109.7	W27 Y33 L34 L36 L78 V147 Y225	W27-L187 HydrophobicContact CB-CD1 4.34Å; W27-L187 HydrophobicContact CD2-CB 4.15Å; W27-L187 HydrophobicContact CD2-CD1 4.22Å; W27-L187 HydrophobicContact CE3-CB 3.97Å; W27-L187 HydrophobicContact CE3-CD1 3.91Å; W27-L187 HydrophobicContact CE3-CG 4.4Å; W27-L187 HydrophobicContact CG-CD1 4.45Å; W27-L187 HydrophobicContact CH2-CB 4.11Å; W27-L187 HydrophobicContact CZ2-CB 4.28Å; W27-L187 HydrophobicContact CZ3-CB 3.96Å; Y33-L187 WeakPolarHBondContact CA-O 3.5Å; L34-L187 HydrophobicContact CB-CB 4.33Å; L34-L187 HydrophobicContact CD2-CD1 4.39Å; L34-L187 PolarHBondContact N-O 2.8Å; L34-L187 PolarHBondContact O-N 2.81Å; L36-L187 HydrophobicContact CD1-CD1 4.05Å; L36-L187 HydrophobicContact CD1-CG 3.88Å; L36-L187 HydrophobicContact CD2-CD1 4.13Å; L36-L187 HydrophobicContact CG-CD1 4.39Å; L36-L187 HydrophobicContact CG-CG 4.36Å; L78-L187 HydrophobicContact CB-CD2 4.17Å; L78-L187 HydrophobicContact CD1-CD2 3.82Å; L78-L187 HydrophobicContact CD1-CG 4.14Å; V147-L187 HydrophobicContact CG2-CD2 3.76Å; L187-Y225 HydrophobicContact CD1-CD1 3.86Å; L187-Y225 HydrophobicContact CD1-CE1 4.23Å
188	V	95.9	Very high	92.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.4	-177.4	-173.2	0	0	0	0	110.1	Y33 A76 T77 V79 M122 F123 C190	Y33-V188 HydrophobicContact CD2-CG2 3.86Å; Y33-V188 HydrophobicContact CE2-CG2 4.15Å; A76-V188 CarbonylContact C-O 3.59Å; A76-V188 VanDerWaalsContact CA-O 3.25Å; A76-V188 WeakPolarHBondContact CA-O 3.35Å; A76-V188 VanDerWaalsContact CB-O 3.31Å; A76-V188 WeakPolarHBondContact CB-O 3.42Å; T77-V188 PolarHBondContact N-O 3.13Å; T77-V188 PolarHBondContact O-N 2.97Å; V79-V188 HydrophobicContact CG2-CB 4.42Å; V79-V188 HydrophobicContact CG2-CG2 3.78Å; M122-V188 HydrophobicContact CE-CB 4.37Å; M122-V188 HydrophobicContact CE-CG1 3.39Å; M122-V188 HydrophobicContact CE-CG2 4.03Å; M122-V188 HydrophobicContact SD-CG1 4.31Å; F123-V188 HydrophobicContact CE2-CB 4.49Å; F123-V188 HydrophobicContact CE2-CG1 4.01Å; F123-V188 HydrophobicContact CZ-CB 4.23Å; F123-V188 HydrophobicContact CZ-CG1 4.24Å; F123-V188 HydrophobicContact CZ-CG2 4.38Å; V188-C190 HydrophobicContact CG1-CB 3.99Å; V188-C190 WeakPolarHBondContact CG1-SG 3.36Å; V188-C190 PolarHBondContact O-N 3.24Å
189	A	94.3	Very high	93.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	20%	0.199	C	C	.	.	S	Bend	trans	-80.9	57.6	177.3	0	0	0	0	0	111.5	W27 P29 R32 T202 A203	W27-A189 HydrophobicContact CH2-CB 3.88Å; W27-A189 HydrophobicContact CZ2-CB 4.17Å; P29-A189 HydrophobicContact CB-CB 4.17Å; P29-A189 WeakPolarHBondContact O-CB 3.27Å; R32-A189 PolarHBondContact O-N 3.42Å; A189-T202 WeakPolarHBondContact CA-OG1 3.26Å; A189-T202 PolarHBondContact O-N 2.94Å; A189-T202 PolarHBondContact O-OG1 3.45Å; A189-A203 HydrophobicContact CB-CB 3.9Å
190	C	94.3	Very high	93.3	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.027	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.4	172.3	-59.1	0	0	0	0	107.2	A76 T77 C119 F123 V188 W199 E200	A76-C190 CarbonylContact C-O 3.56Å; T77-C190 PolarHBondContact N-O 3.39Å; T77-C190 PolarHBondContact OG1-O 3.42Å; C119-C190 VanDerWaalsContact CA-SG 3.54Å; C119-C190 HydrophobicContact CB-CB 3.7Å; C119-C190 WeakPolarHBondContact CB-SG 3.12Å; C119-C190 WeakPolarHBondContact SG-CB 3.49Å; C119-C190 CovalentContact SG-SG 2.03Å; C119-C190 PolarHBondContact SG-SG 3.06Å; F123-C190 HydrophobicContact CE2-CB 3.81Å; V188-C190 HydrophobicContact CG1-CB 3.99Å; V188-C190 WeakPolarHBondContact CG1-SG 3.36Å; V188-C190 PolarHBondContact O-N 3.24Å; C190-W199 HydrophobicContact CB-CE3 4.01Å; C190-E200 CarbonylContact C-O 3.55Å; C190-E200 WeakPolarHBondContact CA-O 2.73Å
191	K	92.7	Very high	93.4	Very high	59 Å²	59	39.4 Å²	39.4	26%	0.257	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	156.1	170.9	71.5	177.4	-179.7	177.9	0	109.2	D74 W199 E200 T202	D74-K191 WeakPolarHBondContact O-CB 3.4Å; D74-K191 WeakPolarHBondContact O-CD 3.2Å; K191-W199 WeakPolarHBondContact O-CA 3.18Å; K191-E200 HydrophobicContact CG-CB 4.42Å; K191-E200 PolarHBondContact N-O 3.43Å; K191-E200 PolarHBondContact O-N 2.93Å; K191-T202 HydrophobicContact CB-CG2 3.78Å; K191-T202 HydrophobicContact CD-CG2 3.66Å; K191-T202 HydrophobicContact CG-CG2 3.58Å
192	R	91	Very high	93.3	Very high	23 Å²	23	36.9 Å²	36.9	9%	0.087	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.6	176.6	-158.5	165.8	58.9	155.9	25.6	110.6	H132 C135 L194 W199	H132-R192 PolarHBondContact CD2-NH2 2.91Å; H132-R192 PolarHBondContact CE1-NH2 2.99Å; H132-R192 PolarHBondContact ND1-NH2 3.27Å; H132-R192 PolarHBondContact NE2-NH2 3.22Å; C135-R192 VanDerWaalsContact CB-NH2 3.32Å; R192-L194 PolarHBondContact O-N 3.08Å; R192-W199 HydrophobicContact CB-CD2 4.2Å; R192-W199 HydrophobicContact CB-CE3 3.94Å; R192-W199 HydrophobicContact CB-CH2 4.19Å; R192-W199 HydrophobicContact CB-CZ2 4.42Å; R192-W199 HydrophobicContact CB-CZ3 3.92Å; R192-W199 HydrophobicContact CG-CD2 4.2Å; R192-W199 HydrophobicContact CG-CE3 4.45Å; R192-W199 HydrophobicContact CG-CZ2 4.48Å
193	N	90.8	Very high	93.1	Very high	39 Å²	39	34.5 Å²	34.5	21%	0.209	18%	0.18	C	C	.	.			trans	-76.3	113.9	175.7	-176.5	-26.2	0	0	0	109	T195 T196 C197 K198 E200	N193-T195 PolarHBondContact O-N 2.85Å; N193-T195 VanDerWaalsContact O-N 3.17Å; N193-T195 PolarHBondContact OD1-N 2.86Å; N193-T195 PolarHBondContact OD1-OG1 3.07Å; N193-T196 WeakPolarHBondContact CB-OG1 3.35Å; N193-T196 PolarHBondContact O-N 3.13Å; N193-C197 WeakPolarHBondContact O-CA 3.21Å; N193-C197 PolarHBondContact O-N 3.43Å; N193-K198 PolarHBondContact N-O 3.36Å; N193-E200 HydrophobicContact CB-CG 4.44Å; N193-E200 PolarHBondContact ND2-OE1 2.97Å
194	L	89.1	Confident	92.7	Very high	85 Å²	85	35.2 Å²	35.2	45%	0.445	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.4	-176	-59.8	-178	0	0	0	114.2	R192	R192-L194 PolarHBondContact O-N 3.08Å
195	T	91.2	Very high	91.9	Very high	126 Å²	126	35.3 Å²	35.3	77%	0.773	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-37.8	178.5	64.2	0	0	0	0	112.7	N193	N193-T195 PolarHBondContact O-N 2.85Å; N193-T195 VanDerWaalsContact O-N 3.17Å; N193-T195 PolarHBondContact OD1-N 2.86Å; N193-T195 PolarHBondContact OD1-OG1 3.07Å
196	T	92.7	Very high	91.1	Very high	77 Å²	77	41 Å²	41	47%	0.472	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-13.1	-177.9	62.2	0	0	0	0	113	N193 K198	N193-T196 WeakPolarHBondContact CB-OG1 3.35Å; N193-T196 PolarHBondContact O-N 3.13Å; T196-K198 PolarHBondContact O-N 3.2Å; T196-K198 VanDerWaalsContact O-N 3.13Å; T196-K198 PolarHBondContact OG1-N 3.49Å
197	C	92.3	Very high	89.9	Confident	50 Å²	50	45.3 Å²	45.3	34%	0.338	23%	0.23	S	C	.	.			trans	54.9	24	-172.9	-66.4	0	0	0	0	114.4	C135 N193	C135-C197 WeakPolarHBondContact CA-SG 3.37Å; C135-C197 HydrophobicContact CB-CB 3.5Å; C135-C197 VanDerWaalsContact CB-CB 3.5Å; C135-C197 WeakPolarHBondContact CB-SG 3.49Å; C135-C197 WeakPolarHBondContact SG-CA 3.39Å; C135-C197 WeakPolarHBondContact SG-CB 3.21Å; C135-C197 CovalentContact SG-SG 2.04Å; C135-C197 PolarHBondContact SG-SG 3.4Å; N193-C197 WeakPolarHBondContact O-CA 3.21Å; N193-C197 PolarHBondContact O-N 3.43Å
198	K	93.7	Very high	88.4	Confident	132 Å²	132	47.3 Å²	47.3	57%	0.574	25%	0.245	S	C	*	.			trans	-100.6	154	173.1	-66.2	-165.1	175.9	-171.3	0	111.1	N193 T196	N193-K198 PolarHBondContact N-O 3.36Å; T196-K198 PolarHBondContact O-N 3.2Å; T196-K198 VanDerWaalsContact O-N 3.13Å; T196-K198 PolarHBondContact OG1-N 3.49Å
199	W	94.1	Very high	86.3	Confident	5 Å²	5	54 Å²	54	2%	0.019	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.6	175	-66.4	91.9	0	0	0	110	T77 T116 C119 N120 F123 N127 L144 C190 K191 R192	T77-W199 HydrophobicContact CG2-CH2 4.05Å; T77-W199 HydrophobicContact CG2-CZ3 4.27Å; T77-W199 WeakPolarHBondContact OG1-CZ3 3.27Å; T116-W199 WeakPolarHBondContact CG2-O 3.24Å; C119-W199 HydrophobicContact CB-CB 3.81Å; N120-W199 WeakPolarHBondContact OD1-CB 3.15Å; N120-W199 PolarHBondContact OD1-N 2.96Å; N120-W199 PolarHBondContact OD1-O 3.09Å; F123-W199 HydrophobicContact CB-CD2 4.06Å; F123-W199 HydrophobicContact CB-CG 4.09Å; F123-W199 HydrophobicContact CB-CZ2 4.04Å; F123-W199 HydrophobicContact CD1-CD2 4.48Å; F123-W199 AromaticContact CD1-CE2 3.84Å; F123-W199 AromaticContact CD1-CH2 3.9Å; F123-W199 HydrophobicContact CD1-CH2 3.9Å; F123-W199 AromaticContact CD1-CZ2 3.5Å; F123-W199 HydrophobicContact CD1-CZ2 3.5Å; F123-W199 AromaticContact CD2-CD2 3.55Å; F123-W199 HydrophobicContact CD2-CD2 3.55Å; F123-W199 AromaticContact CD2-CE2 3.71Å; F123-W199 AromaticContact CD2-CE3 3.8Å; F123-W199 HydrophobicContact CD2-CE3 3.8Å; F123-W199 AromaticContact CD2-CG 3.96Å; F123-W199 HydrophobicContact CD2-CG 3.96Å; F123-W199 HydrophobicContact CD2-CH2 4.29Å; F123-W199 HydrophobicContact CD2-CZ2 4.08Å; F123-W199 HydrophobicContact CD2-CZ3 4.17Å; F123-W199 AromaticContact CE1-CH2 3.8Å; F123-W199 HydrophobicContact CE1-CH2 3.8Å; F123-W199 AromaticContact CE1-CZ2 3.91Å; F123-W199 HydrophobicContact CE1-CZ2 3.91Å; F123-W199 HydrophobicContact CE1-CZ3 4.3Å; F123-W199 HydrophobicContact CE2-CD2 4.1Å; F123-W199 AromaticContact CE2-CE3 3.86Å; F123-W199 HydrophobicContact CE2-CE3 3.86Å; F123-W199 HydrophobicContact CE2-CH2 4.21Å; F123-W199 HydrophobicContact CE2-CZ2 4.44Å; F123-W199 AromaticContact CE2-CZ3 3.93Å; F123-W199 HydrophobicContact CE2-CZ3 3.93Å; F123-W199 AromaticContact CG-CD2 3.78Å; F123-W199 HydrophobicContact CG-CD2 3.78Å; F123-W199 AromaticContact CG-CE2 3.4Å; F123-W199 HydrophobicContact CG-CE3 4.31Å; F123-W199 HydrophobicContact CG-CG 4.24Å; F123-W199 HydrophobicContact CG-CH2 4.16Å; F123-W199 AromaticContact CG-CZ2 3.6Å; F123-W199 HydrophobicContact CG-CZ2 3.6Å; F123-W199 HydrophobicContact CG-CZ3 4.49Å; F123-W199 AromaticContact CG-NE1 3.69Å; F123-W199 HydrophobicContact CZ-CE3 4.38Å; F123-W199 AromaticContact CZ-CH2 3.96Å; F123-W199 HydrophobicContact CZ-CH2 3.96Å; F123-W199 HydrophobicContact CZ-CZ2 4.36Å; F123-W199 AromaticContact CZ-CZ3 3.98Å; F123-W199 HydrophobicContact CZ-CZ3 3.98Å; N127-W199 PolarHBondContact ND2-NE1 3.37Å; N127-W199 VanDerWaalsContact ND2-NE1 3.19Å; N127-W199 PolarHBondContact OD1-NE1 3.35Å; L144-W199 HydrophobicContact CD1-CH2 3.98Å; L144-W199 HydrophobicContact CD1-CZ2 3.82Å; C190-W199 HydrophobicContact CB-CE3 4.01Å; K191-W199 WeakPolarHBondContact O-CA 3.18Å; R192-W199 HydrophobicContact CB-CD2 4.2Å; R192-W199 HydrophobicContact CB-CE3 3.94Å; R192-W199 HydrophobicContact CB-CH2 4.19Å; R192-W199 HydrophobicContact CB-CZ2 4.42Å; R192-W199 HydrophobicContact CB-CZ3 3.92Å; R192-W199 HydrophobicContact CG-CD2 4.2Å; R192-W199 HydrophobicContact CG-CE3 4.45Å; R192-W199 HydrophobicContact CG-CZ2 4.48Å
200	E	92.8	Very high	83.9	Confident	23 Å²	23	57.6 Å²	57.6	11%	0.107	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.6	175.7	-66.1	-174.2	-171.8	0	0	109.1	W112 C190 K191 N193 R206	W112-E200 HydrophobicContact CH2-CG 4.43Å; W112-E200 HydrophobicContact CZ2-CB 4.25Å; W112-E200 HydrophobicContact CZ2-CG 4.23Å; C190-E200 CarbonylContact C-O 3.55Å; C190-E200 WeakPolarHBondContact CA-O 2.73Å; K191-E200 HydrophobicContact CG-CB 4.42Å; K191-E200 PolarHBondContact N-O 3.43Å; K191-E200 PolarHBondContact O-N 2.93Å; N193-E200 HydrophobicContact CB-CG 4.44Å; N193-E200 PolarHBondContact ND2-OE1 2.97Å; E200-R206 IonicContact OE1-NH1 3.23Å; E200-R206 PolarHBondContact OE1-NH1 2.99Å; E200-R206 IonicContact OE2-NH1 3.05Å; E200-R206 PolarHBondContact OE2-NH1 2.85Å
201	T	91.9	Very high	81.5	Confident	7 Å²	7	63.4 Å²	63.4	4%	0.043	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	145.7	176.1	-169	0	0	0	0	111.5	W112 E115 T116 A203	W112-T201 HydrophobicContact CG-CG2 4.33Å; E115-T201 HydrophobicContact CB-CG2 3.83Å; T116-T201 PolarHBondContact OG1-N 3.01Å; T201-A203 PolarHBondContact OG1-N 3.4Å
202	T	90.2	Very high	79	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.031	37%	0.374	C	S	.	.	S	Bend	trans	-116.3	-9	172.1	54.7	0	0	0	0	112.9	I75 A189 K191 I204	I75-T202 WeakPolarHBondContact O-CB 3.33Å; I75-T202 WeakPolarHBondContact O-CG2 3.31Å; I75-T202 PolarHBondContact O-OG1 2.96Å; A189-T202 WeakPolarHBondContact CA-OG1 3.26Å; A189-T202 PolarHBondContact O-N 2.94Å; A189-T202 PolarHBondContact O-OG1 3.45Å; K191-T202 HydrophobicContact CB-CG2 3.78Å; K191-T202 HydrophobicContact CD-CG2 3.66Å; K191-T202 HydrophobicContact CG-CG2 3.58Å; T202-I204 PolarHBondContact O-N 3.43Å
203	A	88.1	Confident	76.5	Confident	9 Å²	9	69.2 Å²	69.2	7%	0.074	38%	0.384	C	S	.	.	S	Bend	trans	-66.4	-26.7	177.9	0	0	0	0	0	113.3	P29 R32 A189 T201	P29-A203 WeakPolarHBondContact O-CA 3.08Å; P29-A203 WeakPolarHBondContact O-CB 3.19Å; R32-A203 HydrophobicContact CB-CB 4.45Å; R32-A203 HydrophobicContact CG-CB 3.56Å; A189-A203 HydrophobicContact CB-CB 3.9Å; T201-A203 PolarHBondContact OG1-N 3.4Å
204	I	85.9	Confident	74.5	Confident	41 Å²	41	70.9 Å²	70.9	21%	0.21	40%	0.399	C	S	.	.	S	Bend	trans	-124.9	135.7	-179.9	-55.2	-178.8	0	0	0	108.5	Q111 E115 T202 R206	Q111-I204 HydrophobicContact CB-CD1 4.48Å; E115-I204 HydrophobicContact CB-CD1 4.43Å; E115-I204 HydrophobicContact CG-CD1 3.72Å; T202-I204 PolarHBondContact O-N 3.43Å; I204-R206 PolarHBondContact O-N 2.64Å
205	P	80.4	Confident	72.5	Confident	54 Å²	54	67.6 Å²	67.6	35%	0.351	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-58.7	137	177	23.6	-35.1	0	0	0	111.8	Y207 S215	P205-Y207 PolarHBondContact O-N 3.37Å; P205-S215 WeakPolarHBondContact CB-O 3.35Å
206	R	79.2	Confident	70.4	Confident	120 Å²	120	66 Å²	66	45%	0.453	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-69.7	122.4	169.3	-172	171.7	-177.2	156	-1.5	109	W112 E200 I204 S208 S215	W112-R206 HydrophobicContact CD2-CG 4.13Å; W112-R206 HydrophobicContact CZ2-CB 4.47Å; W112-R206 HydrophobicContact CZ2-CG 4.01Å; E200-R206 IonicContact OE1-NH1 3.23Å; E200-R206 PolarHBondContact OE1-NH1 2.99Å; E200-R206 IonicContact OE2-NH1 3.05Å; E200-R206 PolarHBondContact OE2-NH1 2.85Å; I204-R206 PolarHBondContact O-N 2.64Å; R206-S208 PolarHBondContact O-N 3.3Å; R206-S215 PolarHBondContact O-OG 2.86Å
207	Y	69.8	Low	68.6	Low	91 Å²	91	64.7 Å²	64.7	36%	0.357	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-65.6	116.7	171	-175.6	-100.9	0	0	0	108.9	E109 P205 N209	E109-Y207 HydrophobicContact CG-CD1 3.42Å; E109-Y207 VanDerWaalsContact CG-CD1 3.42Å; E109-Y207 HydrophobicContact CG-CE1 4.24Å; E109-Y207 HydrophobicContact CG-CG 3.84Å; E109-Y207 VanDerWaalsContact OE1-CD1 3.26Å; E109-Y207 WeakPolarHBondContact OE1-CD1 3.32Å; P205-Y207 PolarHBondContact O-N 3.37Å; Y207-N209 VanDerWaalsContact CE1-OD1 3.25Å; Y207-N209 WeakPolarHBondContact CE1-OD1 3.14Å; Y207-N209 PolarHBondContact OH-OD1 3.13Å
208	S	65.6	Low	67	Low	43 Å²	43	64.2 Å²	64.2	30%	0.301	36%	0.36	S	S	.	.			trans	-130.6	133.5	169.2	65.2	0	0	0	0	107.8	R206 S210 S213	R206-S208 PolarHBondContact O-N 3.3Å; S208-S210 PolarHBondContact O-N 3.36Å; S208-S210 PolarHBondContact OG-O 3.46Å; S208-S213 WeakPolarHBondContact OG-CB 3.48Å; S208-S213 PolarHBondContact OG-OG 3.31Å
209	N	53	Low	65.2	Low	140 Å²	140	60.6 Å²	60.6	75%	0.749	35%	0.352	S	S	*	.	S	Bend	trans	-63.3	1.4	173.3	-71.4	-18.1	0	0	0	113.8	Y207	Y207-N209 VanDerWaalsContact CE1-OD1 3.25Å; Y207-N209 WeakPolarHBondContact CE1-OD1 3.14Å; Y207-N209 PolarHBondContact OH-OD1 3.13Å
210	S	43.1	Very low	63.9	Low	76 Å²	76	67.4 Å²	67.4	53%	0.531	39%	0.388	S	S	.	.			trans	-92.2	115.3	178.3	-34.2	0	0	0	0	109.9	S208 L212 S213	S208-S210 PolarHBondContact O-N 3.36Å; S208-S210 PolarHBondContact OG-O 3.46Å; S210-L212 PolarHBondContact O-N 3.02Å; S210-S213 PolarHBondContact O-N 2.84Å
211	S	44.2	Very low	63.3	Low	127 Å²	127	67 Å²	67	89%	0.888	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	17.9	174.3	48.1	0	0	0	0	115.4
212	L	39	Very low	63.1	Low	161 Å²	161	68.5 Å²	68.5	84%	0.843	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.5	14.2	-176.8	-111.1	97.2	0	0	0	113.7	S210 S214	S210-L212 PolarHBondContact O-N 3.02Å; L212-S214 PolarHBondContact O-N 2.86Å
213	S	39.9	Very low	63.1	Low	42 Å²	42	68.2 Å²	68.2	29%	0.294	39%	0.394	S	S	.	.			trans	-79.4	122	176.3	58.1	0	0	0	0	110.5	S208 S210 S215	S208-S213 WeakPolarHBondContact OG-CB 3.48Å; S208-S213 PolarHBondContact OG-OG 3.31Å; S210-S213 PolarHBondContact O-N 2.84Å; S213-S215 WeakPolarHBondContact CB-OG 3.34Å; S213-S215 PolarHBondContact O-N 3.31Å; S213-S215 PolarHBondContact OG-OG 3.12Å
214	S	47.4	Very low	63.3	Low	75 Å²	75	70.6 Å²	70.6	52%	0.524	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-51.6	1.6	167.4	43.8	0	0	0	0	114.7	L212 S216 T217	L212-S214 PolarHBondContact O-N 2.86Å; S214-S216 PolarHBondContact O-N 3.41Å; S214-T217 WeakPolarHBondContact O-CB 3.26Å; S214-T217 PolarHBondContact O-N 3.28Å; S214-T217 PolarHBondContact O-OG1 3.43Å
215	S	48.5	Very low	63.7	Low	15 Å²	15	70.1 Å²	70.1	11%	0.105	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-60.9	-36.5	-178.3	-56.9	0	0	0	0	114.5	P205 R206 S213 T217 Y218	P205-S215 WeakPolarHBondContact CB-O 3.35Å; R206-S215 PolarHBondContact O-OG 2.86Å; S213-S215 WeakPolarHBondContact CB-OG 3.34Å; S213-S215 PolarHBondContact O-N 3.31Å; S213-S215 PolarHBondContact OG-OG 3.12Å; S215-T217 PolarHBondContact O-N 3.2Å; S215-Y218 WeakPolarHBondContact O-CD2 3.29Å
216	S	46.9	Very low	64.4	Low	93 Å²	93	69.4 Å²	69.4	65%	0.65	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-70.7	-14.3	178.7	55.3	0	0	0	0	113.8	S214	S214-S216 PolarHBondContact O-N 3.41Å
217	T	53.2	Low	65.1	Low	50 Å²	50	63.7 Å²	63.7	31%	0.307	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-78.3	-30.3	-175	-29.2	0	0	0	0	112.1	S214 S215 S219 L220 L221	S214-T217 WeakPolarHBondContact O-CB 3.26Å; S214-T217 PolarHBondContact O-N 3.28Å; S214-T217 PolarHBondContact O-OG1 3.43Å; S215-T217 PolarHBondContact O-N 3.2Å; T217-S219 VanDerWaalsContact C-N 3.29Å; T217-S219 PolarHBondContact O-N 3.45Å; T217-L220 PolarHBondContact O-N 3.25Å; T217-L220 VanDerWaalsContact O-N 3.1Å; T217-L221 WeakPolarHBondContact O-CG 3.15Å
218	Y	60.6	Low	66.3	Low	39 Å²	39	61.8 Å²	61.8	15%	0.153	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-63.6	-32.6	-171.4	-61.1	-68.3	0	0	0	113.4	V72 I75 S215 L220 L221	V72-Y218 HydrophobicContact CG1-CE1 3.89Å; I75-Y218 HydrophobicContact CB-CD1 4.15Å; I75-Y218 HydrophobicContact CB-CE1 4.28Å; I75-Y218 HydrophobicContact CG2-CD1 3.82Å; I75-Y218 HydrophobicContact CG2-CE1 3.65Å; S215-Y218 WeakPolarHBondContact O-CD2 3.29Å; Y218-L220 PolarHBondContact O-N 3.28Å; Y218-L220 VanDerWaalsContact O-N 3.13Å; Y218-L221 HydrophobicContact CD1-CD1 3.91Å; Y218-L221 PolarHBondContact O-N 3.11Å
219	S	55.6	Low	67.7	Low	57 Å²	57	59.9 Å²	59.9	40%	0.399	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-68.7	-7.1	178.5	-52.4	0	0	0	0	114.4	T217	T217-S219 VanDerWaalsContact C-N 3.29Å; T217-S219 PolarHBondContact O-N 3.45Å
220	L	66.2	Low	69.6	Low	148 Å²	148	53.2 Å²	53.2	78%	0.775	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-113.5	0.6	177.1	-65.5	173.1	0	0	0	112.8	T217 Y218	T217-L220 PolarHBondContact O-N 3.25Å; T217-L220 VanDerWaalsContact O-N 3.1Å; Y218-L220 PolarHBondContact O-N 3.28Å; Y218-L220 VanDerWaalsContact O-N 3.13Å
221	L	79.8	Confident	72	Confident	13 Å²	13	49.8 Å²	49.8	7%	0.068	29%	0.291	C	S	.	.			trans	-89.4	129.2	-177.9	-65.3	176.3	0	0	0	109.8	P29 L62 V66 V72 I75 T217 Y218	P29-L221 WeakPolarHBondContact CD-O 3.32Å; L62-L221 HydrophobicContact CD1-CD2 4.47Å; L62-L221 HydrophobicContact CD2-CB 4Å; L62-L221 HydrophobicContact CD2-CD1 4.47Å; L62-L221 HydrophobicContact CD2-CD2 4.24Å; L62-L221 HydrophobicContact CD2-CG 4.45Å; V66-L221 HydrophobicContact CG2-CD2 4.45Å; V72-L221 HydrophobicContact CG1-CD1 4.42Å; I75-L221 HydrophobicContact CD1-CB 4.29Å; I75-L221 HydrophobicContact CD1-CD1 4.31Å; I75-L221 HydrophobicContact CG2-CD1 4.35Å; T217-L221 WeakPolarHBondContact O-CG 3.15Å; Y218-L221 HydrophobicContact CD1-CD1 3.91Å; Y218-L221 PolarHBondContact O-N 3.11Å
222	T	88	Confident	74.2	Confident	39 Å²	39	43.9 Å²	43.9	24%	0.239	25%	0.25	C	S	.	.			trans	-112.5	126.8	171.5	-61.8	0	0	0	0	108.9	K26 E63	K26-T222 HydrophobicContact CB-CG2 3.8Å; K26-T222 HydrophobicContact CD-CG2 4.41Å; K26-T222 HydrophobicContact CG-CG2 4.47Å; E63-T222 PolarHBondContact N-O 3.45Å; E63-T222 WeakPolarHBondContact OE2-CB 3.43Å; E63-T222 WeakPolarHBondContact OE2-CG2 3.3Å
223	V	90.2	Very high	76.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.1	174.8	179.6	0	0	0	0	108.7	K26 W27 P29 V60 N61 I75	K26-V223 CarbonylContact C-O 3.56Å; K26-V223 VanDerWaalsContact CA-O 3.28Å; K26-V223 WeakPolarHBondContact CA-O 3.18Å; W27-V223 HydrophobicContact CE3-CB 4.13Å; W27-V223 HydrophobicContact CE3-CG2 4.11Å; W27-V223 HydrophobicContact CZ3-CG2 4.39Å; W27-V223 PolarHBondContact N-O 3.45Å; W27-V223 PolarHBondContact O-N 2.87Å; P29-V223 HydrophobicContact CG-CG2 3.93Å; V60-V223 HydrophobicContact CG1-CG1 3.25Å; N61-V223 CarbonylContact O-C 3.5Å; N61-V223 WeakPolarHBondContact O-CA 3.28Å; I75-V223 HydrophobicContact CD1-CG2 3.65Å; I75-V223 HydrophobicContact CG1-CG2 4.26Å
224	I	93.2	Very high	79.1	Confident	58 Å²	58	36.8 Å²	36.8	30%	0.297	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.2	170.2	-54.8	-168.5	0	0	0	108	G25 K26 V60 N61 E63	G25-I224 WeakPolarHBondContact O-CA 2.75Å; K26-I224 HydrophobicContact CG-CG1 4.19Å; V60-I224 CarbonylContact C-O 3.53Å; V60-I224 WeakPolarHBondContact CA-O 2.8Å; N61-I224 PolarHBondContact N-O 3.05Å; N61-I224 PolarHBondContact O-N 3.38Å; E63-I224 VanDerWaalsContact CA-CD1 3.47Å; E63-I224 HydrophobicContact CB-CD1 3.57Å; E63-I224 HydrophobicContact CB-CG1 3.7Å; E63-I224 HydrophobicContact CG-CD1 3.77Å; E63-I224 HydrophobicContact CG-CG1 4.38Å
225	Y	93.9	Very high	81.1	Confident	31 Å²	31	39.6 Å²	39.6	12%	0.122	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.7	175.8	60	-94.7	0	0	0	111.4	L23 K24 G25 W27 L34 L36 T59 L187 I227	L23-Y225 HydrophobicContact CB-CD2 4.29Å; L23-Y225 HydrophobicContact CB-CE2 4.03Å; K24-Y225 WeakPolarHBondContact CA-O 3.43Å; G25-Y225 VanDerWaalsContact CA-CZ 3.45Å; G25-Y225 VanDerWaalsContact N-CE2 3.33Å; G25-Y225 PolarHBondContact N-O 3.32Å; G25-Y225 PolarHBondContact O-N 3.34Å; W27-Y225 HydrophobicContact CB-CE1 4.27Å; L34-Y225 HydrophobicContact CD2-CE1 4.15Å; L36-Y225 HydrophobicContact CD2-CD1 4.32Å; L36-Y225 HydrophobicContact CD2-CD2 4.26Å; L36-Y225 HydrophobicContact CD2-CE1 3.74Å; L36-Y225 HydrophobicContact CD2-CE2 3.68Å; T59-Y225 WeakPolarHBondContact O-CA 3.44Å; L187-Y225 HydrophobicContact CD1-CD1 3.86Å; L187-Y225 HydrophobicContact CD1-CE1 4.23Å; Y225-I227 HydrophobicContact CD2-CD1 4.38Å; Y225-I227 HydrophobicContact CD2-CG1 4.49Å; Y225-I227 HydrophobicContact CG-CD1 4.5Å
226	D	94	Very high	83	Confident	40 Å²	40	42 Å²	42	21%	0.214	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	97.4	174	179.1	-13.5	0	0	0	106.3	H22 L23 K24 G58 T59	H22-D226 IonicContact CD2-OD1 3.31Å; H22-D226 PolarHBondContact CD2-OD1 3.27Å; H22-D226 VanDerWaalsContact CD2-OD1 3.31Å; H22-D226 IonicContact NE2-OD1 3.85Å; H22-D226 PolarHBondContact NE2-OD1 3.17Å; H22-D226 IonicContact NE2-OD2 2.64Å; L23-D226 WeakPolarHBondContact O-CA 3.48Å; K24-D226 VanDerWaalsContact CE-OD1 3.29Å; K24-D226 WeakPolarHBondContact CE-OD1 3.08Å; K24-D226 WeakPolarHBondContact CE-OD2 3.22Å; K24-D226 HydrophobicContact CG-CB 4.42Å; K24-D226 IonicContact NZ-OD1 3.98Å; K24-D226 IonicContact NZ-OD2 3.26Å; K24-D226 PolarHBondContact NZ-OD2 3.31Å; G58-D226 CarbonylContact C-O 3.6Å; G58-D226 WeakPolarHBondContact CA-O 3.35Å; T59-D226 PolarHBondContact N-O 2.96Å; T59-D226 PolarHBondContact O-N 3.45Å
227	I	95.4	Very high	84.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.9	-168.6	-53.4	176.1	0	0	0	109.8	H22 L23 L36 I56 Y57 V60 L78 F170 L185 Y225 L229	H22-I227 CarbonylContact C-O 3.49Å; H22-I227 WeakPolarHBondContact CA-O 3.26Å; L23-I227 HydrophobicContact CB-CB 4.44Å; L23-I227 PolarHBondContact N-O 3.24Å; L23-I227 PolarHBondContact O-N 3.07Å; L36-I227 HydrophobicContact CD1-CD1 4.04Å; I56-I227 HydrophobicContact CG2-CG2 3.64Å; Y57-I227 WeakPolarHBondContact O-CA 3.42Å; V60-I227 HydrophobicContact CG2-CD1 4.11Å; V60-I227 HydrophobicContact CG2-CG1 4.4Å; L78-I227 HydrophobicContact CD1-CD1 4.17Å; L78-I227 HydrophobicContact CD2-CD1 4.34Å; F170-I227 HydrophobicContact CE1-CG1 4.48Å; F170-I227 HydrophobicContact CZ-CD1 4.13Å; F170-I227 HydrophobicContact CZ-CG1 4.02Å; F170-I227 HydrophobicContact CZ-CG2 4.07Å; L185-I227 HydrophobicContact CD2-CD1 4Å; L185-I227 HydrophobicContact CD2-CG2 3.94Å; Y225-I227 HydrophobicContact CD2-CD1 4.38Å; Y225-I227 HydrophobicContact CD2-CG1 4.49Å; Y225-I227 HydrophobicContact CG-CD1 4.5Å; I227-L229 HydrophobicContact CG2-CD1 4.25Å
228	W	94.2	Very high	86.2	Confident	51 Å²	51	43.3 Å²	43.3	19%	0.193	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.7	173.2	-65.6	83.4	0	0	0	109.8	H22 I56 Y57	H22-W228 HydrophobicContact CB-CD2 3.94Å; H22-W228 HydrophobicContact CB-CE3 3.67Å; H22-W228 HydrophobicContact CB-CH2 3.8Å; H22-W228 HydrophobicContact CB-CZ2 4.05Å; H22-W228 HydrophobicContact CB-CZ3 3.6Å; H22-W228 AromaticContact CD2-CD1 3.78Å; H22-W228 AromaticContact CD2-CD2 3.56Å; H22-W228 AromaticContact CD2-CE2 3.03Å; H22-W228 AromaticContact CD2-CH2 3.95Å; H22-W228 AromaticContact CD2-CZ2 3.27Å; H22-W228 WeakPolarHBondContact CD2-CZ2 3.23Å; H22-W228 AromaticContact CD2-NE1 3.17Å; H22-W228 PolarHBondContact CD2-NE1 3.29Å; H22-W228 AromaticContact CE1-CZ2 3.91Å; H22-W228 AromaticContact CG-CD2 3.94Å; H22-W228 AromaticContact CG-CE2 3.61Å; H22-W228 AromaticContact CG-CH2 3.66Å; H22-W228 AromaticContact CG-CZ2 3.47Å; H22-W228 VanDerWaalsContact CG-CZ2 3.47Å; H22-W228 AromaticContact CG-CZ3 3.97Å; H22-W228 AromaticContact ND1-CZ2 3.9Å; H22-W228 AromaticContact NE2-CE2 3.56Å; H22-W228 AromaticContact NE2-CZ2 3.49Å; H22-W228 WeakPolarHBondContact NE2-CZ2 3.19Å; H22-W228 AromaticContact NE2-NE1 3.53Å; I56-W228 CarbonylContact C-O 3.59Å; I56-W228 VanDerWaalsContact CA-O 3.25Å; I56-W228 WeakPolarHBondContact CA-O 3.24Å; Y57-W228 HydrophobicContact CD1-CB 4.18Å; Y57-W228 HydrophobicContact CD2-CB 4.13Å; Y57-W228 HydrophobicContact CD2-CG 4.5Å; Y57-W228 HydrophobicContact CE1-CB 3.68Å; Y57-W228 HydrophobicContact CE2-CB 3.67Å; Y57-W228 AromaticContact CE2-CD1 3.84Å; Y57-W228 AromaticContact CE2-CG 3.81Å; Y57-W228 HydrophobicContact CE2-CG 3.81Å; Y57-W228 HydrophobicContact CG-CB 4.39Å; Y57-W228 VanDerWaalsContact CZ-CB 3.42Å; Y57-W228 AromaticContact CZ-CG 3.86Å; Y57-W228 PolarHBondContact N-O 3.12Å; Y57-W228 PolarHBondContact O-N 2.88Å
229	L	94.8	Very high	87.3	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.9	171.9	-61.8	89.8	0	0	0	107.1	L21 L23 T37 F39 Y55 I56 I227	L21-L229 HydrophobicContact CD1-CB 4.44Å; L21-L229 WeakPolarHBondContact CD1-O 3.49Å; L21-L229 WeakPolarHBondContact CD2-O 3.29Å; L21-L229 WeakPolarHBondContact CG-O 3.29Å; L21-L229 PolarHBondContact O-N 2.98Å; L23-L229 HydrophobicContact CD1-CD1 3.77Å; L23-L229 HydrophobicContact CG-CD1 3.94Å; T37-L229 HydrophobicContact CG2-CD1 3.95Å; T37-L229 HydrophobicContact CG2-CD2 3.58Å; T37-L229 HydrophobicContact CG2-CG 4.46Å; F39-L229 HydrophobicContact CB-CB 4.33Å; F39-L229 HydrophobicContact CB-CD2 3.66Å; F39-L229 HydrophobicContact CD1-CB 4.2Å; F39-L229 HydrophobicContact CD2-CB 4.34Å; F39-L229 HydrophobicContact CG-CB 4.02Å; F39-L229 HydrophobicContact CG-CD2 4.28Å; Y55-L229 CarbonylContact O-C 3.58Å; Y55-L229 WeakPolarHBondContact O-CA 3.15Å; I56-L229 HydrophobicContact CB-CG 4.48Å; I56-L229 HydrophobicContact CD1-CD2 3.77Å; I56-L229 HydrophobicContact CD1-CG 4.25Å; I56-L229 HydrophobicContact CG1-CB 4.31Å; I56-L229 HydrophobicContact CG1-CD2 3.98Å; I56-L229 HydrophobicContact CG1-CG 3.92Å; I56-L229 HydrophobicContact CG2-CG 4.06Å; I227-L229 HydrophobicContact CG2-CD1 4.25Å
230	V	93.8	Very high	88.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	155.3	-174	-58.8	0	0	0	0	111.5	L21 F41 G54 Y55 Y57 G232 P234	L21-V230 HydrophobicContact CD2-CG1 3.79Å; F41-V230 VanDerWaalsContact CE1-O 3.3Å; F41-V230 WeakPolarHBondContact CE1-O 3.21Å; G54-V230 WeakPolarHBondContact CA-O 3.34Å; Y55-V230 PolarHBondContact N-O 2.71Å; Y55-V230 PolarHBondContact O-N 2.81Å; Y57-V230 HydrophobicContact CE1-CG1 4.22Å; Y57-V230 HydrophobicContact CE1-CG2 3.79Å; V230-G232 WeakPolarHBondContact CG2-O 3.19Å; V230-P234 HydrophobicContact CG2-CG 4.14Å
231	N	92.3	Very high	89.3	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.7	168.6	-79.2	-64	0	0	0	110	F39 G40 F41 Q42 H244 F246	F39-N231 WeakPolarHBondContact CE1-ND2 3.13Å; G40-N231 PolarHBondContact O-ND2 2.65Å; F41-N231 WeakPolarHBondContact CA-OD1 3.35Å; Q42-N231 HydrophobicContact CG-CB 4.39Å; Q42-N231 PolarHBondContact N-OD1 3.31Å; N231-H244 PolarHBondContact N-O 3.05Å; N231-H244 VanDerWaalsContact O-CA 3.26Å; N231-H244 WeakPolarHBondContact O-CA 3.48Å; N231-H244 PolarHBondContact O-ND1 3.44Å; N231-F246 PolarHBondContact ND2-O 3.2Å
232	G	91.8	Very high	89.5	Confident	3 Å²	3	44.8 Å²	44.8	3%	0.031	23%	0.225	C	C	.	.	S	Bend	trans	85.3	158.5	-174.2	0	0	0	0	0	113.2	E50 A51 R53 Y55 V230 H244	E50-G232 CarbonylContact O-C 3.49Å; E50-G232 WeakPolarHBondContact O-CA 3.5Å; A51-G232 VanDerWaalsContact C-CA 3.49Å; A51-G232 WeakPolarHBondContact O-CA 3.42Å; R53-G232 VanDerWaalsContact O-CA 3.29Å; R53-G232 WeakPolarHBondContact O-CA 3.24Å; R53-G232 PolarHBondContact O-N 2.86Å; Y55-G232 VanDerWaalsContact CD2-C 3.45Å; Y55-G232 WeakPolarHBondContact CD2-O 3.1Å; V230-G232 WeakPolarHBondContact CG2-O 3.19Å; G232-H244 PolarHBondContact O-CE1 2.84Å; G232-H244 VanDerWaalsContact O-CE1 3.22Å; G232-H244 PolarHBondContact O-ND1 2.72Å
233	E	91.4	Very high	89.4	Confident	30 Å²	30	46.2 Å²	46.2	14%	0.14	23%	0.228	C	C	.	.			trans	-64.7	135.8	-176.9	-170.5	166.3	173	0	0	111.3	E50 Y55 K235 L236	E50-E233 PolarHBondContact O-N 2.99Å; Y55-E233 HydrophobicContact CD2-CB 4.41Å; Y55-E233 HydrophobicContact CE1-CG 4.31Å; Y55-E233 HydrophobicContact CE2-CB 3.72Å; Y55-E233 HydrophobicContact CE2-CG 4.35Å; Y55-E233 VanDerWaalsContact CE2-N 3.32Å; E233-K235 PolarHBondContact O-N 3.3Å; E233-K235 VanDerWaalsContact O-N 3.07Å; E233-K235 IonicContact OE1-NZ 3.84Å; E233-K235 PolarHBondContact OE1-NZ 3.34Å; E233-L236 HydrophobicContact CB-CD1 4.49Å; E233-L236 WeakPolarHBondContact O-CA 3.37Å; E233-L236 PolarHBondContact O-N 3.35Å
234	P	89.8	Confident	89.4	Confident	23 Å²	23	46.4 Å²	46.4	15%	0.149	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-54.2	-32.2	-176.8	-31.5	38.2	0	0	0	115.1	Y57 V165 V230 L236 Q237	Y57-P234 HydrophobicContact CD1-CG 3.94Å; Y57-P234 HydrophobicContact CE1-CB 4.3Å; Y57-P234 HydrophobicContact CE1-CG 3.26Å; Y57-P234 HydrophobicContact CE2-CG 4.39Å; V165-P234 HydrophobicContact CG1-CB 4.19Å; V165-P234 HydrophobicContact CG1-CG 3.96Å; V165-P234 HydrophobicContact CG2-CG 3.97Å; V230-P234 HydrophobicContact CG2-CG 4.14Å; P234-L236 PolarHBondContact O-N 2.99Å; P234-Q237 WeakPolarHBondContact O-CB 3.24Å; P234-Q237 PolarHBondContact O-N 3.05Å
235	K	89.2	Confident	89.3	Confident	135 Å²	135	43.9 Å²	43.9	59%	0.587	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-65.3	-26	176.9	-62.9	171.6	-169.8	147.9	0	112.4	E233	E233-K235 PolarHBondContact O-N 3.3Å; E233-K235 VanDerWaalsContact O-N 3.07Å; E233-K235 IonicContact OE1-NZ 3.84Å; E233-K235 PolarHBondContact OE1-NZ 3.34Å
236	L	87.8	Confident	89.1	Confident	64 Å²	64	42.5 Å²	42.5	34%	0.335	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-98.4	16.5	-179.2	-59.9	177.7	0	0	0	112.6	E50 A51 E233 P234 S238 F239	E50-L236 HydrophobicContact CB-CD1 3.99Å; A51-L236 HydrophobicContact CB-CD1 4.33Å; E233-L236 HydrophobicContact CB-CD1 4.49Å; E233-L236 WeakPolarHBondContact O-CA 3.37Å; E233-L236 PolarHBondContact O-N 3.35Å; P234-L236 PolarHBondContact O-N 2.99Å; L236-S238 PolarHBondContact O-N 3.01Å; L236-F239 HydrophobicContact CB-CB 4.35Å; L236-F239 VanDerWaalsContact O-CB 3.22Å; L236-F239 WeakPolarHBondContact O-CB 3.43Å; L236-F239 PolarHBondContact O-N 3.24Å
237	Q	84.2	Confident	89	Confident	65 Å²	65	41 Å²	41	30%	0.304	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-37.3	178.1	177.4	-175.8	1.1	0	0	113.1	P234 F239 Q241 H245 F309	P234-Q237 WeakPolarHBondContact O-CB 3.24Å; P234-Q237 PolarHBondContact O-N 3.05Å; Q237-F239 VanDerWaalsContact C-N 3.29Å; Q237-F239 PolarHBondContact O-N 2.71Å; Q237-Q241 WeakPolarHBondContact O-CA 3.5Å; Q237-Q241 PolarHBondContact O-N 3.17Å; Q237-H245 PolarHBondContact NE2-NE2 2.61Å; Q237-F309 PolarHBondContact NE2-O 2.65Å
238	S	84.3	Confident	88.7	Confident	107 Å²	107	42.2 Å²	42.2	75%	0.748	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.1	179.6	62.6	0	0	0	0	114.2	L236	L236-S238 PolarHBondContact O-N 3.01Å
239	F	83.2	Confident	88.2	Confident	125 Å²	125	43.1 Å²	43.1	55%	0.548	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-40.6	179.5	-176.6	-102.9	0	0	0	111.4	A51 L236 Q237	A51-F239 HydrophobicContact CB-CD1 3.86Å; A51-F239 HydrophobicContact CB-CE1 3.95Å; L236-F239 HydrophobicContact CB-CB 4.35Å; L236-F239 VanDerWaalsContact O-CB 3.22Å; L236-F239 WeakPolarHBondContact O-CB 3.43Å; L236-F239 PolarHBondContact O-N 3.24Å; Q237-F239 VanDerWaalsContact C-N 3.29Å; Q237-F239 PolarHBondContact O-N 2.71Å
240	N	81.1	Confident	87.8	Confident	43 Å²	43	44.6 Å²	44.6	23%	0.23	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.9	59.9	-177.1	-163.3	-2.5	0	0	0	112.9	F242 E243 H244	N240-F242 VanDerWaalsContact C-N 3.28Å; N240-F242 PolarHBondContact O-N 3.07Å; N240-E243 WeakPolarHBondContact ND2-CB 3.37Å; N240-E243 PolarHBondContact ND2-OE2 2.76Å; N240-E243 PolarHBondContact O-N 3.22Å; N240-E243 VanDerWaalsContact O-N 3.12Å; N240-E243 WeakPolarHBondContact OD1-CB 3.44Å; N240-E243 VanDerWaalsContact OD1-CG 3.31Å; N240-E243 WeakPolarHBondContact OD1-CG 3.31Å; N240-H244 VanDerWaalsContact O-CB 3.29Å; N240-H244 WeakPolarHBondContact O-CB 3.48Å; N240-H244 PolarHBondContact O-N 3.5Å
241	Q	83.1	Confident	87.6	Confident	51 Å²	51	46.7 Å²	46.7	24%	0.238	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-34.3	-169.6	-165.4	-170.3	-34.1	0	0	114.2	Q237 E243 S308	Q237-Q241 WeakPolarHBondContact O-CA 3.5Å; Q237-Q241 PolarHBondContact O-N 3.17Å; Q241-E243 VanDerWaalsContact C-N 3.3Å; Q241-E243 PolarHBondContact O-N 3.44Å; Q241-S308 WeakPolarHBondContact CG-O 3.25Å
242	F	84.3	Confident	87.2	Confident	69 Å²	69	47.7 Å²	47.7	30%	0.303	25%	0.246	S	C	.	.	H	α-helix	trans	-84	-0.7	-178.5	-71.7	-77	0	0	0	114.6	N240 F246 A254 H255 F258	N240-F242 VanDerWaalsContact C-N 3.28Å; N240-F242 PolarHBondContact O-N 3.07Å; F242-F246 WeakPolarHBondContact O-CD2 3.16Å; F242-F246 WeakPolarHBondContact O-CE2 3.4Å; F242-A254 HydrophobicContact CD1-CB 4.17Å; F242-H255 AromaticContact CG-CE1 3.67Å; F242-F258 HydrophobicContact CE1-CE2 4.46Å
243	E	86.4	Confident	87.1	Confident	68 Å²	68	49.1 Å²	49.1	32%	0.318	25%	0.253	S	S	.	.	H	α-helix	trans	-124.2	-27.9	178.1	-59.7	179.3	-177.4	0	0	111.9	N240 Q241 H245 F246 H251	N240-E243 WeakPolarHBondContact ND2-CB 3.37Å; N240-E243 PolarHBondContact ND2-OE2 2.76Å; N240-E243 PolarHBondContact O-N 3.22Å; N240-E243 VanDerWaalsContact O-N 3.12Å; N240-E243 WeakPolarHBondContact OD1-CB 3.44Å; N240-E243 VanDerWaalsContact OD1-CG 3.31Å; N240-E243 WeakPolarHBondContact OD1-CG 3.31Å; Q241-E243 VanDerWaalsContact C-N 3.3Å; Q241-E243 PolarHBondContact O-N 3.44Å; E243-H245 VanDerWaalsContact C-N 3.33Å; E243-H245 PolarHBondContact O-N 2.91Å; E243-F246 PolarHBondContact O-N 3.08Å; E243-F246 VanDerWaalsContact O-O 3.08Å; E243-H251 PolarHBondContact O-NE2 2.72Å; E243-H251 VanDerWaalsContact O-NE2 3.08Å
244	H	90.2	Very high	86.9	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.019	25%	0.247	C	C	.	.	H	α-helix	trans	-53	-48.3	-174.3	-179.2	72.5	0	0	0	113.3	N231 G232 N240 F246	N231-H244 PolarHBondContact N-O 3.05Å; N231-H244 VanDerWaalsContact O-CA 3.26Å; N231-H244 WeakPolarHBondContact O-CA 3.48Å; N231-H244 PolarHBondContact O-ND1 3.44Å; G232-H244 PolarHBondContact O-CE1 2.84Å; G232-H244 VanDerWaalsContact O-CE1 3.22Å; G232-H244 PolarHBondContact O-ND1 2.72Å; N240-H244 VanDerWaalsContact O-CB 3.29Å; N240-H244 WeakPolarHBondContact O-CB 3.48Å; N240-H244 PolarHBondContact O-N 3.5Å; H244-F246 VanDerWaalsContact C-N 3.35Å
245	H	90.7	Very high	86.8	Confident	6 Å²	6	51 Å²	51	3%	0.028	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.1	-178.8	-73.9	-50.4	0	0	0	114.2	L21 Q237 E243 F307 S308 F309	L21-H245 WeakPolarHBondContact CD1-O 3.38Å; L21-H245 HydrophobicContact CD2-CB 3.6Å; L21-H245 WeakPolarHBondContact CD2-ND1 3.15Å; L21-H245 VanDerWaalsContact CD2-O 3.24Å; L21-H245 WeakPolarHBondContact CD2-O 3.44Å; Q237-H245 PolarHBondContact NE2-NE2 2.61Å; E243-H245 VanDerWaalsContact C-N 3.33Å; E243-H245 PolarHBondContact O-N 2.91Å; H245-F307 HydrophobicContact CB-CD1 4.46Å; H245-F307 HydrophobicContact CB-CE1 4.17Å; H245-F307 WeakPolarHBondContact O-CE1 3.41Å; H245-S308 PolarHBondContact CD2-O 2.88Å; H245-F309 PolarHBondContact NE2-O 3.1Å
246	F	89.9	Confident	86.8	Confident	1 Å²	1	46 Å²	46	0%	0.004	24%	0.239	C	C	.	.	S	Bend	trans	-97.4	141.6	-173.7	-71.1	-93.7	0	0	0	110.4	F39 N231 F242 E243 H244 H251 I253 A254 W304 F307	F39-F246 WeakPolarHBondContact CZ-O 3.5Å; N231-F246 PolarHBondContact ND2-O 3.2Å; F242-F246 WeakPolarHBondContact O-CD2 3.16Å; F242-F246 WeakPolarHBondContact O-CE2 3.4Å; E243-F246 PolarHBondContact O-N 3.08Å; E243-F246 VanDerWaalsContact O-O 3.08Å; H244-F246 VanDerWaalsContact C-N 3.35Å; F246-H251 VanDerWaalsContact CB-CD2 3.44Å; F246-H251 WeakPolarHBondContact CB-CD2 3.45Å; F246-H251 PolarHBondContact O-CD2 2.81Å; F246-H251 PolarHBondContact O-NE2 3.27Å; F246-I253 HydrophobicContact CD1-CG2 3.88Å; F246-I253 HydrophobicContact CE1-CG2 3.44Å; F246-I253 VanDerWaalsContact CE1-CG2 3.44Å; F246-I253 HydrophobicContact CZ-CG2 4.34Å; F246-A254 HydrophobicContact CZ-CB 4.18Å; F246-W304 HydrophobicContact CD1-CE3 4.47Å; F246-W304 HydrophobicContact CE1-CD2 4.4Å; F246-W304 AromaticContact CE1-CE3 3.52Å; F246-W304 HydrophobicContact CE1-CE3 3.52Å; F246-W304 AromaticContact CE1-CZ3 3.95Å; F246-W304 HydrophobicContact CE1-CZ3 3.95Å; F246-W304 HydrophobicContact CZ-CE3 4.23Å; F246-F307 AromaticContact CD1-CD1 3.94Å; F246-F307 HydrophobicContact CD1-CD1 3.94Å; F246-F307 AromaticContact CD1-CE1 3.84Å; F246-F307 HydrophobicContact CD1-CE1 3.84Å; F246-F307 HydrophobicContact CD2-CD1 4.26Å; F246-F307 HydrophobicContact CD2-CE1 4.36Å; F246-F307 AromaticContact CE1-CD1 3.55Å; F246-F307 HydrophobicContact CE1-CD1 3.55Å; F246-F307 AromaticContact CE1-CE1 3.94Å; F246-F307 HydrophobicContact CE1-CE1 3.94Å; F246-F307 AromaticContact CE2-CD1 3.9Å; F246-F307 HydrophobicContact CE2-CD1 3.9Å; F246-F307 HydrophobicContact CE2-CE1 4.45Å; F246-F307 HydrophobicContact CG-CD1 4.29Å; F246-F307 HydrophobicContact CG-CE1 4.07Å; F246-F307 AromaticContact CZ-CD1 3.53Å; F246-F307 HydrophobicContact CZ-CD1 3.53Å; F246-F307 HydrophobicContact CZ-CE1 4.26Å; F246-F307 HydrophobicContact CZ-CG 4.47Å
247	S	91.1	Very high	86.9	Confident	10 Å²	10	44.9 Å²	44.9	7%	0.07	23%	0.231	C	C	.	.			trans	-65.9	146.2	164.7	-166.1	0	0	0	0	109.1	F39 G40 E249 T250 H251	F39-S247 VanDerWaalsContact CE2-CA 3.42Å; F39-S247 VanDerWaalsContact CE2-CB 3.48Å; F39-S247 VanDerWaalsContact CZ-CA 3.47Å; G40-S247 WeakPolarHBondContact CA-OG 3.34Å; G40-S247 PolarHBondContact N-OG 3.27Å; G40-S247 PolarHBondContact O-OG 3.43Å; S247-E249 VanDerWaalsContact CB-CD 3.5Å; S247-E249 WeakPolarHBondContact CB-OE1 3.41Å; S247-E249 WeakPolarHBondContact CB-OE2 3.21Å; S247-E249 PolarHBondContact O-N 3.5Å; S247-E249 PolarHBondContact OG-OE1 3.27Å; S247-E249 VanDerWaalsContact OG-OE1 3.05Å; S247-E249 PolarHBondContact OG-OE2 3.5Å; S247-T250 PolarHBondContact N-OG1 2.87Å; S247-T250 CarbonylContact O-C 3.46Å; S247-T250 WeakPolarHBondContact O-CA 3.43Å; S247-T250 PolarHBondContact O-N 2.72Å; S247-T250 PolarHBondContact O-OG1 3.02Å; S247-H251 PolarHBondContact O-CD2 3.46Å; S247-H251 PolarHBondContact O-N 2.82Å
248	F	89	Confident	87.2	Confident	25 Å²	25	45.6 Å²	45.6	11%	0.11	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-53.4	-34.2	-171.7	86.1	-99.6	0	0	0	113	G40 Q42 P180 Y182 T250 H251 F436	G40-F248 VanDerWaalsContact C-CD1 3.5Å; G40-F248 PolarHBondContact O-N 2.74Å; Q42-F248 HydrophobicContact CB-CB 4.37Å; P180-F248 HydrophobicContact CB-CB 4.34Å; P180-F248 HydrophobicContact CB-CD1 3.82Å; P180-F248 HydrophobicContact CB-CD2 3.92Å; P180-F248 HydrophobicContact CB-CE1 4.16Å; P180-F248 HydrophobicContact CB-CE2 4.22Å; P180-F248 HydrophobicContact CB-CG 3.75Å; P180-F248 HydrophobicContact CB-CZ 4.35Å; P180-F248 HydrophobicContact CG-CD2 4.15Å; P180-F248 HydrophobicContact CG-CE2 4.19Å; P180-F248 HydrophobicContact CG-CG 4.48Å; Y182-F248 HydrophobicContact CD1-CE1 4.23Å; Y182-F248 HydrophobicContact CD2-CE1 4.4Å; Y182-F248 AromaticContact CE1-CE1 3.89Å; Y182-F248 HydrophobicContact CE1-CE1 3.89Å; Y182-F248 HydrophobicContact CE1-CZ 4.39Å; Y182-F248 HydrophobicContact CE2-CE1 4.07Å; Y182-F248 AromaticContact CE2-CZ 3.99Å; Y182-F248 HydrophobicContact CE2-CZ 3.99Å; Y182-F248 HydrophobicContact CG-CE1 4.48Å; Y182-F248 AromaticContact CZ-CE1 3.81Å; Y182-F248 AromaticContact CZ-CZ 3.85Å; F248-T250 PolarHBondContact O-N 2.98Å; F248-H251 WeakPolarHBondContact O-CB 3.4Å; F248-H251 PolarHBondContact O-N 3.35Å; F248-F436 AromaticContact CE2-CD2 3.99Å; F248-F436 HydrophobicContact CE2-CD2 3.99Å; F248-F436 AromaticContact CE2-CE2 3.73Å; F248-F436 HydrophobicContact CE2-CE2 3.73Å; F248-F436 AromaticContact CZ-CE2 3.92Å; F248-F436 HydrophobicContact CZ-CE2 3.92Å
249	E	84.8	Confident	87.6	Confident	70 Å²	70	44.4 Å²	44.4	33%	0.327	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-71.8	-17.6	-179.8	76.5	-78.1	-173.2	0	0	113.6	Y182 S247 F436	Y182-E249 WeakPolarHBondContact CE1-OE2 3.17Å; Y182-E249 WeakPolarHBondContact OH-CB 3.39Å; Y182-E249 WeakPolarHBondContact OH-CG 3.47Å; S247-E249 VanDerWaalsContact CB-CD 3.5Å; S247-E249 WeakPolarHBondContact CB-OE1 3.41Å; S247-E249 WeakPolarHBondContact CB-OE2 3.21Å; S247-E249 PolarHBondContact O-N 3.5Å; S247-E249 PolarHBondContact OG-OE1 3.27Å; S247-E249 VanDerWaalsContact OG-OE1 3.05Å; S247-E249 PolarHBondContact OG-OE2 3.5Å; E249-F436 HydrophobicContact CB-CD2 4.1Å; E249-F436 HydrophobicContact CB-CE2 3.8Å
250	T	86.6	Confident	87.9	Confident	34 Å²	34	38.8 Å²	38.8	21%	0.209	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-103	1.3	177.3	56.8	0	0	0	0	112.7	S247 F248 G252 I253	S247-T250 PolarHBondContact N-OG1 2.87Å; S247-T250 CarbonylContact O-C 3.46Å; S247-T250 WeakPolarHBondContact O-CA 3.43Å; S247-T250 PolarHBondContact O-N 2.72Å; S247-T250 PolarHBondContact O-OG1 3.02Å; F248-T250 PolarHBondContact O-N 2.98Å; T250-G252 PolarHBondContact O-N 3.34Å; T250-I253 VanDerWaalsContact O-CB 3.22Å; T250-I253 WeakPolarHBondContact O-CB 3.31Å; T250-I253 WeakPolarHBondContact O-CG2 3.46Å; T250-I253 PolarHBondContact O-N 2.77Å; T250-I253 VanDerWaalsContact O-N 3.11Å
251	H	87.8	Confident	88.4	Confident	43 Å²	43	37.8 Å²	37.8	20%	0.199	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	138.7	172.3	-72.2	-174.3	0	0	0	110.6	Q42 E243 F246 S247 F248 I253	Q42-H251 PolarHBondContact OE1-CE1 2.94Å; Q42-H251 VanDerWaalsContact OE1-CE1 3.29Å; E243-H251 PolarHBondContact O-NE2 2.72Å; E243-H251 VanDerWaalsContact O-NE2 3.08Å; F246-H251 VanDerWaalsContact CB-CD2 3.44Å; F246-H251 WeakPolarHBondContact CB-CD2 3.45Å; F246-H251 PolarHBondContact O-CD2 2.81Å; F246-H251 PolarHBondContact O-NE2 3.27Å; S247-H251 PolarHBondContact O-CD2 3.46Å; S247-H251 PolarHBondContact O-N 2.82Å; F248-H251 WeakPolarHBondContact O-CB 3.4Å; F248-H251 PolarHBondContact O-N 3.35Å; H251-I253 PolarHBondContact O-N 3.49Å
252	G	85.6	Confident	88.8	Confident	26 Å²	26	38.5 Å²	38.5	27%	0.268	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	-4.3	-176.5	0	0	0	0	0	115.4	T250 A254 H255 M256	T250-G252 PolarHBondContact O-N 3.34Å; G252-A254 PolarHBondContact O-N 3.42Å; G252-H255 WeakPolarHBondContact O-CB 3.49Å; G252-H255 PolarHBondContact O-N 3.22Å; G252-M256 WeakPolarHBondContact O-CG 3.32Å; G252-M256 PolarHBondContact O-N 3.21Å
253	I	88.3	Confident	89.1	Confident	33 Å²	33	37.7 Å²	37.7	17%	0.169	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-43.1	-178.8	-160.5	165.9	0	0	0	112.6	F246 T250 H251 H255 M256 F257 W304	F246-I253 HydrophobicContact CD1-CG2 3.88Å; F246-I253 HydrophobicContact CE1-CG2 3.44Å; F246-I253 VanDerWaalsContact CE1-CG2 3.44Å; F246-I253 HydrophobicContact CZ-CG2 4.34Å; T250-I253 VanDerWaalsContact O-CB 3.22Å; T250-I253 WeakPolarHBondContact O-CB 3.31Å; T250-I253 WeakPolarHBondContact O-CG2 3.46Å; T250-I253 PolarHBondContact O-N 2.77Å; T250-I253 VanDerWaalsContact O-N 3.11Å; H251-I253 PolarHBondContact O-N 3.49Å; I253-H255 PolarHBondContact O-N 2.77Å; I253-M256 HydrophobicContact CB-CE 4.29Å; I253-M256 HydrophobicContact CG1-CE 4.37Å; I253-M256 WeakPolarHBondContact O-CB 3.25Å; I253-M256 PolarHBondContact O-N 2.89Å; I253-F257 HydrophobicContact CD1-CE2 4.14Å; I253-F257 HydrophobicContact CG1-CD2 3.88Å; I253-F257 HydrophobicContact CG1-CE2 3.7Å; I253-F257 VanDerWaalsContact O-CD2 3.3Å; I253-F257 WeakPolarHBondContact O-CD2 3.3Å; I253-F257 PolarHBondContact O-N 2.91Å; I253-W304 HydrophobicContact CD1-CH2 4.34Å; I253-W304 HydrophobicContact CD1-CZ2 3.76Å; I253-W304 HydrophobicContact CG2-CD2 3.9Å; I253-W304 HydrophobicContact CG2-CE3 4Å; I253-W304 HydrophobicContact CG2-CG 4.24Å; I253-W304 HydrophobicContact CG2-CZ3 4.41Å
254	A	87.8	Confident	89.3	Confident	2 Å²	2	36 Å²	36	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-48.5	176.7	0	0	0	0	0	110.7	F242 F246 G252 M256 F257 F258 W304	F242-A254 HydrophobicContact CD1-CB 4.17Å; F246-A254 HydrophobicContact CZ-CB 4.18Å; G252-A254 PolarHBondContact O-N 3.42Å; A254-M256 VanDerWaalsContact C-N 3.34Å; A254-M256 PolarHBondContact O-N 2.78Å; A254-F257 PolarHBondContact O-N 2.83Å; A254-F258 HydrophobicContact CB-CE2 4.33Å; A254-F258 WeakPolarHBondContact O-CD2 3.43Å; A254-F258 PolarHBondContact O-N 2.81Å; A254-W304 HydrophobicContact CB-CB 4.01Å
255	H	88.6	Confident	89.3	Confident	91 Å²	91	39.6 Å²	39.6	42%	0.421	21%	0.206	S	C	.	.	H	α-helix	trans	-57.5	-44.4	176.1	-66.5	106.2	0	0	0	112.2	F242 G252 I253 F257 F258 I259	F242-H255 AromaticContact CG-CE1 3.67Å; G252-H255 WeakPolarHBondContact O-CB 3.49Å; G252-H255 PolarHBondContact O-N 3.22Å; I253-H255 PolarHBondContact O-N 2.77Å; H255-F257 PolarHBondContact O-N 3.28Å; H255-F258 PolarHBondContact O-N 3.2Å; H255-I259 WeakPolarHBondContact O-CG1 3.32Å; H255-I259 PolarHBondContact O-N 2.71Å
256	M	88.3	Confident	89.3	Confident	30 Å²	30	44.4 Å²	44.4	15%	0.148	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-46	176.3	-73.3	-170.9	-77.3	0	0	111.9	G252 I253 A254 F258 I259 F260 A432	G252-M256 WeakPolarHBondContact O-CG 3.32Å; G252-M256 PolarHBondContact O-N 3.21Å; I253-M256 HydrophobicContact CB-CE 4.29Å; I253-M256 HydrophobicContact CG1-CE 4.37Å; I253-M256 WeakPolarHBondContact O-CB 3.25Å; I253-M256 PolarHBondContact O-N 2.89Å; A254-M256 VanDerWaalsContact C-N 3.34Å; A254-M256 PolarHBondContact O-N 2.78Å; M256-F258 PolarHBondContact O-N 3.46Å; M256-I259 PolarHBondContact O-N 3.48Å; M256-F260 HydrophobicContact CB-CE2 4.22Å; M256-F260 WeakPolarHBondContact O-CD2 3.44Å; M256-F260 VanDerWaalsContact O-CG 3.22Å; M256-F260 WeakPolarHBondContact O-CG 3.35Å; M256-F260 PolarHBondContact O-N 2.8Å; M256-A432 HydrophobicContact CE-CB 4.12Å; M256-A432 HydrophobicContact SD-CB 3.87Å
257	F	90.2	Very high	89.3	Confident	39 Å²	39	44.8 Å²	44.8	17%	0.171	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-36.3	178.5	-83.6	-73.6	0	0	0	113.1	I253 A254 H255 F260 L261 T297 A300 A301 W304	I253-F257 HydrophobicContact CD1-CE2 4.14Å; I253-F257 HydrophobicContact CG1-CD2 3.88Å; I253-F257 HydrophobicContact CG1-CE2 3.7Å; I253-F257 VanDerWaalsContact O-CD2 3.3Å; I253-F257 WeakPolarHBondContact O-CD2 3.3Å; I253-F257 PolarHBondContact O-N 2.91Å; A254-F257 PolarHBondContact O-N 2.83Å; H255-F257 PolarHBondContact O-N 3.28Å; F257-F260 PolarHBondContact O-N 3.28Å; F257-L261 VanDerWaalsContact O-CB 3.27Å; F257-L261 WeakPolarHBondContact O-CB 3.44Å; F257-L261 PolarHBondContact O-N 2.91Å; F257-T297 HydrophobicContact CD1-CG2 4.12Å; F257-A300 HydrophobicContact CD1-CB 3.62Å; F257-A300 HydrophobicContact CE1-CB 3.49Å; F257-A300 VanDerWaalsContact CE1-CB 3.49Å; F257-A300 HydrophobicContact CG-CB 4.22Å; F257-A300 HydrophobicContact CZ-CB 3.99Å; F257-A301 HydrophobicContact CB-CB 4.07Å; F257-W304 AromaticContact CD2-CD1 3.27Å; F257-W304 HydrophobicContact CD2-CG 4.28Å; F257-W304 AromaticContact CD2-NE1 3.6Å; F257-W304 AromaticContact CE2-CD1 3.5Å; F257-W304 AromaticContact CE2-NE1 3.27Å; F257-W304 VanDerWaalsContact CE2-NE1 3.27Å
258	F	91	Very high	89.2	Confident	81 Å²	81	44.5 Å²	44.5	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-65.4	-39.5	173.7	-72.3	-58.7	0	0	0	112.7	F242 A254 H255 M256 L261 S262 A301	F242-F258 HydrophobicContact CE1-CE2 4.46Å; A254-F258 HydrophobicContact CB-CE2 4.33Å; A254-F258 WeakPolarHBondContact O-CD2 3.43Å; A254-F258 PolarHBondContact O-N 2.81Å; H255-F258 PolarHBondContact O-N 3.2Å; M256-F258 PolarHBondContact O-N 3.46Å; F258-L261 PolarHBondContact O-N 2.82Å; F258-S262 PolarHBondContact O-N 2.76Å; F258-S262 PolarHBondContact O-OG 3.3Å; F258-A301 HydrophobicContact CD1-CB 4.15Å; F258-A301 HydrophobicContact CE1-CB 4.13Å
259	I	90.8	Very high	89.2	Confident	82 Å²	82	47.9 Å²	47.9	42%	0.421	25%	0.249	S	C	.	.	H	α-helix	trans	-65	-48.1	174.6	-67.1	167.7	0	0	0	110.1	H255 M256 L261 S262 L263 L428	H255-I259 WeakPolarHBondContact O-CG1 3.32Å; H255-I259 PolarHBondContact O-N 2.71Å; M256-I259 PolarHBondContact O-N 3.48Å; I259-L261 VanDerWaalsContact C-N 3.32Å; I259-L261 PolarHBondContact O-N 2.72Å; I259-S262 WeakPolarHBondContact O-CB 3.42Å; I259-S262 PolarHBondContact O-N 3.2Å; I259-L263 HydrophobicContact CG2-CD1 4.09Å; I259-L263 HydrophobicContact CG2-CG 4.47Å; I259-L263 WeakPolarHBondContact O-CG 3.42Å; I259-L263 PolarHBondContact O-N 3.48Å; I259-L428 HydrophobicContact CG2-CD1 4.24Å
260	F	89.7	Confident	89.5	Confident	7 Å²	7	46.8 Å²	46.8	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-43.3	177.4	-66.2	-27.6	0	0	0	112.1	M256 F257 S262 L263 Y264 T297 K425 L428 Y429	M256-F260 HydrophobicContact CB-CE2 4.22Å; M256-F260 WeakPolarHBondContact O-CD2 3.44Å; M256-F260 VanDerWaalsContact O-CG 3.22Å; M256-F260 WeakPolarHBondContact O-CG 3.35Å; M256-F260 PolarHBondContact O-N 2.8Å; F257-F260 PolarHBondContact O-N 3.28Å; F260-S262 VanDerWaalsContact C-N 3.34Å; F260-S262 PolarHBondContact O-N 3.4Å; F260-L263 PolarHBondContact O-N 2.82Å; F260-Y264 HydrophobicContact CB-CD2 4.45Å; F260-Y264 WeakPolarHBondContact O-CB 3.38Å; F260-Y264 WeakPolarHBondContact O-CD2 3.18Å; F260-Y264 PolarHBondContact O-N 3.35Å; F260-T297 HydrophobicContact CB-CG2 3.82Å; F260-K425 HydrophobicContact CE1-CB 4.23Å; F260-K425 HydrophobicContact CE1-CG 4.06Å; F260-K425 HydrophobicContact CZ-CG 4.12Å; F260-L428 HydrophobicContact CD1-CD1 4.23Å; F260-L428 HydrophobicContact CE1-CB 4.05Å; F260-L428 HydrophobicContact CE1-CD1 3.5Å; F260-L428 HydrophobicContact CE1-CG 4.42Å; F260-L428 HydrophobicContact CZ-CB 4.09Å; F260-L428 HydrophobicContact CZ-CD1 4.29Å; F260-Y429 HydrophobicContact CE2-CE2 4.15Å; F260-Y429 HydrophobicContact CZ-CD2 4.48Å; F260-Y429 HydrophobicContact CZ-CE2 4.09Å
261	L	92.2	Very high	89.6	Confident	22 Å²	22	45.1 Å²	45.1	12%	0.115	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-46.8	176.7	179.2	60.6	0	0	0	111	F257 F258 I259 L263 Y264 I265 T297 L298 A301	F257-L261 VanDerWaalsContact O-CB 3.27Å; F257-L261 WeakPolarHBondContact O-CB 3.44Å; F257-L261 PolarHBondContact O-N 2.91Å; F258-L261 PolarHBondContact O-N 2.82Å; I259-L261 VanDerWaalsContact C-N 3.32Å; I259-L261 PolarHBondContact O-N 2.72Å; L261-L263 PolarHBondContact O-N 3.47Å; L261-Y264 PolarHBondContact O-N 3.05Å; L261-I265 HydrophobicContact CD1-CD1 3.94Å; L261-I265 HydrophobicContact CD1-CG1 4.21Å; L261-I265 HydrophobicContact CG-CD1 3.85Å; L261-I265 VanDerWaalsContact O-CG1 3.26Å; L261-I265 WeakPolarHBondContact O-CG1 3.45Å; L261-I265 PolarHBondContact O-N 3.45Å; L261-T297 HydrophobicContact CB-CG2 4.04Å; L261-L298 HydrophobicContact CD1-CB 3.84Å; L261-L298 HydrophobicContact CD1-CD1 4.24Å; L261-L298 HydrophobicContact CD2-CD1 3.71Å; L261-A301 HydrophobicContact CD2-CB 4.13Å
262	S	91.9	Very high	89.6	Confident	66 Å²	66	46.6 Å²	46.6	46%	0.462	24%	0.244	S	C	.	.	H	α-helix	trans	-59.5	-46.1	178.6	-57.4	0	0	0	0	111.7	F258 I259 F260 I265 I266	F258-S262 PolarHBondContact O-N 2.76Å; F258-S262 PolarHBondContact O-OG 3.3Å; I259-S262 WeakPolarHBondContact O-CB 3.42Å; I259-S262 PolarHBondContact O-N 3.2Å; F260-S262 VanDerWaalsContact C-N 3.34Å; F260-S262 PolarHBondContact O-N 3.4Å; S262-I265 PolarHBondContact O-N 3.03Å; S262-I266 WeakPolarHBondContact O-CG1 3.43Å; S262-I266 PolarHBondContact O-N 2.98Å; S262-I266 VanDerWaalsContact O-N 3.11Å
263	L	90.9	Very high	89.8	Confident	51 Å²	51	51.2 Å²	51.2	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-44	176.8	-70.1	176.1	0	0	0	112.3	I259 F260 L261 I266 L267 L421 V424	I259-L263 HydrophobicContact CG2-CD1 4.09Å; I259-L263 HydrophobicContact CG2-CG 4.47Å; I259-L263 WeakPolarHBondContact O-CG 3.42Å; I259-L263 PolarHBondContact O-N 3.48Å; F260-L263 PolarHBondContact O-N 2.82Å; L261-L263 PolarHBondContact O-N 3.47Å; L263-I266 PolarHBondContact O-N 2.69Å; L263-L267 WeakPolarHBondContact O-CB 3.35Å; L263-L267 PolarHBondContact O-N 2.84Å; L263-L421 HydrophobicContact CB-CD2 3.77Å; L263-L421 HydrophobicContact CD1-CD2 4.24Å; L263-L421 HydrophobicContact CD2-CD2 4.12Å; L263-L421 HydrophobicContact CG-CD2 4.27Å; L263-V424 HydrophobicContact CD1-CG1 3.92Å
264	Y	89.6	Confident	89.8	Confident	34 Å²	34	53.9 Å²	53.9	13%	0.133	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-37.9	177.1	-86	-61.9	0	0	0	112	F260 L261 L267 N268 A293 T297 K425	F260-Y264 HydrophobicContact CB-CD2 4.45Å; F260-Y264 WeakPolarHBondContact O-CB 3.38Å; F260-Y264 WeakPolarHBondContact O-CD2 3.18Å; F260-Y264 PolarHBondContact O-N 3.35Å; L261-Y264 PolarHBondContact O-N 3.05Å; Y264-L267 PolarHBondContact O-N 2.67Å; Y264-N268 VanDerWaalsContact O-CB 3.28Å; Y264-N268 WeakPolarHBondContact O-CB 3.47Å; Y264-N268 PolarHBondContact O-N 2.85Å; Y264-N268 PolarHBondContact O-ND2 3.33Å; Y264-A293 HydrophobicContact CD1-CB 4.2Å; Y264-A293 HydrophobicContact CE1-CB 3.76Å; Y264-T297 HydrophobicContact CD2-CG2 4.25Å; Y264-K425 PolarHBondContact OH-NZ 3.07Å
265	I	90.2	Very high	89.7	Confident	78 Å²	78	53.9 Å²	53.9	40%	0.4	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-48.4	176.1	-70.9	166.7	0	0	0	110.6	L261 S262 L267 N268 I269	L261-I265 HydrophobicContact CD1-CD1 3.94Å; L261-I265 HydrophobicContact CD1-CG1 4.21Å; L261-I265 HydrophobicContact CG-CD1 3.85Å; L261-I265 VanDerWaalsContact O-CG1 3.26Å; L261-I265 WeakPolarHBondContact O-CG1 3.45Å; L261-I265 PolarHBondContact O-N 3.45Å; S262-I265 PolarHBondContact O-N 3.03Å; I265-L267 VanDerWaalsContact C-N 3.33Å; I265-L267 PolarHBondContact O-N 3.27Å; I265-N268 PolarHBondContact O-N 3Å; I265-I269 HydrophobicContact CG2-CD1 3.69Å; I265-I269 HydrophobicContact CG2-CG1 4.42Å; I265-I269 VanDerWaalsContact O-CG1 3.31Å; I265-I269 WeakPolarHBondContact O-CG1 3.37Å; I265-I269 PolarHBondContact O-N 3.35Å
266	I	90.8	Very high	89.4	Confident	108 Å²	108	52.9 Å²	52.9	55%	0.554	27%	0.271	S	S	*	.	H	α-helix	trans	-60.1	-45.4	178.4	-65.5	165.4	0	0	0	110.6	S262 L263 T270	S262-I266 WeakPolarHBondContact O-CG1 3.43Å; S262-I266 PolarHBondContact O-N 2.98Å; S262-I266 VanDerWaalsContact O-N 3.11Å; L263-I266 PolarHBondContact O-N 2.69Å; I266-T270 WeakPolarHBondContact O-CB 3.38Å; I266-T270 PolarHBondContact O-N 2.82Å; I266-T270 PolarHBondContact O-OG1 2.79Å
267	L	89.6	Confident	89.1	Confident	8 Å²	8	58.2 Å²	58.2	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-59.5	-49.1	175.8	175.5	59.5	0	0	0	111.2	L263 Y264 I265 I269 T270 A271 L290 L417 L421	L263-L267 WeakPolarHBondContact O-CB 3.35Å; L263-L267 PolarHBondContact O-N 2.84Å; Y264-L267 PolarHBondContact O-N 2.67Å; I265-L267 VanDerWaalsContact C-N 3.33Å; I265-L267 PolarHBondContact O-N 3.27Å; L267-I269 PolarHBondContact O-N 3.37Å; L267-T270 PolarHBondContact O-N 2.96Å; L267-A271 WeakPolarHBondContact O-CB 3.21Å; L267-A271 PolarHBondContact O-N 2.92Å; L267-L290 HydrophobicContact CD2-CD1 4.21Å; L267-L290 HydrophobicContact CD2-CD2 3.36Å; L267-L290 HydrophobicContact CD2-CG 4.42Å; L267-L290 HydrophobicContact CG-CD1 4.03Å; L267-L290 HydrophobicContact CG-CD2 4.09Å; L267-L417 HydrophobicContact CD1-CD2 3.16Å; L267-L417 HydrophobicContact CD1-CG 3.6Å; L267-L421 HydrophobicContact CB-CD1 3.59Å; L267-L421 HydrophobicContact CD1-CD1 3.68Å; L267-L421 HydrophobicContact CD2-CD1 3.35Å; L267-L421 HydrophobicContact CG-CD1 3.69Å
268	N	89.1	Confident	88.7	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.027	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-47.8	-177.8	-91.4	-85	0	0	0	111.7	Y264 I265 T270 A271 H272 L290 W291 S294	Y264-N268 VanDerWaalsContact O-CB 3.28Å; Y264-N268 WeakPolarHBondContact O-CB 3.47Å; Y264-N268 PolarHBondContact O-N 2.85Å; Y264-N268 PolarHBondContact O-ND2 3.33Å; I265-N268 PolarHBondContact O-N 3Å; N268-T270 PolarHBondContact O-N 2.76Å; N268-A271 PolarHBondContact O-N 3.29Å; N268-H272 WeakPolarHBondContact O-CB 3.46Å; N268-H272 PolarHBondContact O-N 2.75Å; N268-L290 PolarHBondContact ND2-O 2.76Å; N268-L290 WeakPolarHBondContact OD1-CB 3.12Å; N268-L290 PolarHBondContact OD1-O 2.8Å; N268-W291 PolarHBondContact OD1-N 2.93Å; N268-S294 PolarHBondContact ND2-OG 3.29Å
269	I	90.1	Very high	88	Confident	95 Å²	95	61.2 Å²	61.2	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-49.7	178.7	-67.2	168.3	0	0	0	110.1	I265 L267 H272 I273	I265-I269 HydrophobicContact CG2-CD1 3.69Å; I265-I269 HydrophobicContact CG2-CG1 4.42Å; I265-I269 VanDerWaalsContact O-CG1 3.31Å; I265-I269 WeakPolarHBondContact O-CG1 3.37Å; I265-I269 PolarHBondContact O-N 3.35Å; L267-I269 PolarHBondContact O-N 3.37Å; I269-H272 PolarHBondContact O-N 3.5Å; I269-I273 HydrophobicContact CG2-CD1 3.69Å; I269-I273 WeakPolarHBondContact O-CB 3.31Å; I269-I273 VanDerWaalsContact O-CG1 3.25Å; I269-I273 WeakPolarHBondContact O-CG1 3.4Å; I269-I273 PolarHBondContact O-N 2.88Å
270	T	90.2	Very high	87.7	Confident	47 Å²	47	59.5 Å²	59.5	29%	0.288	32%	0.324	S	S	.	.	H	α-helix	trans	-64.5	-44.9	-177.6	-52.4	0	0	0	0	111.8	I266 L267 N268 K274 Y413	I266-T270 WeakPolarHBondContact O-CB 3.38Å; I266-T270 PolarHBondContact O-N 2.82Å; I266-T270 PolarHBondContact O-OG1 2.79Å; L267-T270 PolarHBondContact O-N 2.96Å; N268-T270 PolarHBondContact O-N 2.76Å; T270-K274 WeakPolarHBondContact O-CB 3.38Å; T270-K274 PolarHBondContact O-N 2.88Å; T270-Y413 HydrophobicContact CG2-CE1 4.33Å
271	A	88.8	Confident	87.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-65	-46.6	178.2	0	0	0	0	0	111	L267 N268 K274 L275 Y286 L287 L290 M414	L267-A271 WeakPolarHBondContact O-CB 3.21Å; L267-A271 PolarHBondContact O-N 2.92Å; N268-A271 PolarHBondContact O-N 3.29Å; A271-K274 PolarHBondContact O-N 2.87Å; A271-L275 WeakPolarHBondContact O-CB 3.28Å; A271-L275 WeakPolarHBondContact O-CG 3.47Å; A271-L275 PolarHBondContact O-N 3.38Å; A271-Y286 HydrophobicContact CB-CE1 4.26Å; A271-L287 HydrophobicContact CB-CD2 4.22Å; A271-L290 HydrophobicContact CB-CD1 3.55Å; A271-M414 HydrophobicContact CB-CE 3.83Å
272	H	88.7	Confident	87	Confident	74 Å²	74	65.3 Å²	65.3	34%	0.343	35%	0.354	S	S	.	.	H	α-helix	trans	-62.2	-49	-177.6	-165.1	85.6	0	0	0	111.5	N268 I269 K274 L275 V276 L287 W291	N268-H272 WeakPolarHBondContact O-CB 3.46Å; N268-H272 PolarHBondContact O-N 2.75Å; I269-H272 PolarHBondContact O-N 3.5Å; H272-K274 VanDerWaalsContact C-N 3.26Å; H272-K274 PolarHBondContact O-N 3.42Å; H272-L275 PolarHBondContact O-N 3.33Å; H272-V276 VanDerWaalsContact O-CB 3.26Å; H272-V276 WeakPolarHBondContact O-CB 3.47Å; H272-V276 PolarHBondContact O-N 3.46Å; H272-L287 HydrophobicContact CB-CD2 4.4Å; H272-W291 AromaticContact ND1-NE1 3.61Å
273	I	89.5	Confident	86.8	Confident	123 Å²	123	62.5 Å²	62.5	63%	0.631	33%	0.334	S	S	*	.	H	α-helix	trans	-57	-41.9	177.5	-67.9	167.9	0	0	0	111.1	I269	I269-I273 HydrophobicContact CG2-CD1 3.69Å; I269-I273 WeakPolarHBondContact O-CB 3.31Å; I269-I273 VanDerWaalsContact O-CG1 3.25Å; I269-I273 WeakPolarHBondContact O-CG1 3.4Å; I269-I273 PolarHBondContact O-N 2.88Å
274	K	88.2	Confident	86.6	Confident	89 Å²	89	66 Å²	66	39%	0.387	35%	0.345	S	S	.	.	H	α-helix	trans	-80.8	-22.8	-174.8	-156.8	175.8	177	-161.1	0	113.5	T270 A271 H272 F410 Y413	T270-K274 WeakPolarHBondContact O-CB 3.38Å; T270-K274 PolarHBondContact O-N 2.88Å; A271-K274 PolarHBondContact O-N 2.87Å; H272-K274 VanDerWaalsContact C-N 3.26Å; H272-K274 PolarHBondContact O-N 3.42Å; K274-F410 HydrophobicContact CB-CE2 4Å; K274-F410 HydrophobicContact CD-CD2 3.74Å; K274-F410 HydrophobicContact CD-CE2 3.44Å; K274-F410 VanDerWaalsContact CD-CE2 3.44Å; K274-F410 VanDerWaalsContact CE-CD2 3.48Å; K274-F410 HydrophobicContact CG-CD2 3.89Å; K274-F410 HydrophobicContact CG-CE2 3.53Å; K274-Y413 HydrophobicContact CD-CD1 4.41Å
275	L	86	Confident	86.6	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-111.3	-17.1	-171.4	-76.5	176.5	0	0	0	115.5	A271 H272 N277 N278 V283 Y286 L287 F410 M414	A271-L275 WeakPolarHBondContact O-CB 3.28Å; A271-L275 WeakPolarHBondContact O-CG 3.47Å; A271-L275 PolarHBondContact O-N 3.38Å; H272-L275 PolarHBondContact O-N 3.33Å; L275-N277 PolarHBondContact O-N 2.98Å; L275-N277 VanDerWaalsContact O-N 3.07Å; L275-N278 WeakPolarHBondContact CD2-ND2 3.37Å; L275-N278 WeakPolarHBondContact O-CB 3.43Å; L275-N278 PolarHBondContact O-N 3.4Å; L275-V283 HydrophobicContact CB-CG1 3.69Å; L275-V283 HydrophobicContact CD1-CG1 4.19Å; L275-V283 HydrophobicContact CD2-CB 4.44Å; L275-V283 HydrophobicContact CD2-CG1 3.93Å; L275-V283 HydrophobicContact CD2-CG2 3.62Å; L275-V283 HydrophobicContact CG-CG1 4.17Å; L275-Y286 HydrophobicContact CD1-CD1 3.86Å; L275-Y286 HydrophobicContact CD1-CE1 4.19Å; L275-L287 HydrophobicContact CB-CD1 4.11Å; L275-L287 HydrophobicContact CB-CD2 4.3Å; L275-L287 HydrophobicContact CB-CG 4.42Å; L275-L287 HydrophobicContact CD1-CD2 4.15Å; L275-L287 HydrophobicContact CD1-CG 4.4Å; L275-F410 HydrophobicContact CD1-CE1 4.22Å; L275-F410 HydrophobicContact CD1-CZ 3.67Å; L275-F410 HydrophobicContact CD2-CD1 4.17Å; L275-F410 HydrophobicContact CD2-CD2 4.38Å; L275-F410 HydrophobicContact CD2-CE1 3.32Å; L275-F410 HydrophobicContact CD2-CE2 3.59Å; L275-F410 HydrophobicContact CD2-CZ 3.02Å; L275-F410 HydrophobicContact CG-CE1 4.03Å; L275-F410 HydrophobicContact CG-CE2 3.85Å; L275-F410 HydrophobicContact CG-CZ 3.29Å; L275-M414 HydrophobicContact CD1-CE 4.39Å
276	V	80.8	Confident	86.5	Confident	70 Å²	70	63.9 Å²	63.9	42%	0.424	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.3	-172.2	65.2	0	0	0	0	113.4	H272 N278	H272-V276 VanDerWaalsContact O-CB 3.26Å; H272-V276 WeakPolarHBondContact O-CB 3.47Å; H272-V276 PolarHBondContact O-N 3.46Å; V276-N278 VanDerWaalsContact C-N 3.34Å
277	N	82.2	Confident	86.6	Confident	142 Å²	142	59.4 Å²	59.4	76%	0.759	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-6	-179.9	-64.2	-26.4	0	0	0	113.8	L275	L275-N277 PolarHBondContact O-N 2.98Å; L275-N277 VanDerWaalsContact O-N 3.07Å
278	N	81.9	Confident	86.6	Confident	72 Å²	72	62.2 Å²	62.2	39%	0.385	33%	0.33	S	S	.	.			trans	-92.2	109.8	-178.9	-67.4	-31.6	0	0	0	110.3	L275 V276 S280 V283	L275-N278 WeakPolarHBondContact CD2-ND2 3.37Å; L275-N278 WeakPolarHBondContact O-CB 3.43Å; L275-N278 PolarHBondContact O-N 3.4Å; V276-N278 VanDerWaalsContact C-N 3.34Å; N278-S280 VanDerWaalsContact C-N 3.25Å; N278-S280 PolarHBondContact O-N 2.94Å; N278-V283 HydrophobicContact CB-CG1 4.34Å; N278-V283 HydrophobicContact CB-CG2 4.18Å
279	C	76.4	Confident	86.8	Confident	111 Å²	111	62.6 Å²	62.6	75%	0.75	33%	0.331	S	S	*	.			trans	-83.4	48.8	-178.9	-65.4	0	0	0	0	113.8
280	S	84.6	Confident	86.9	Confident	45 Å²	45	58.2 Å²	58.2	32%	0.315	31%	0.309	S	S	.	.			trans	-106.9	142	174.8	74.6	0	0	0	0	112	N278 H282 V283 Y284	N278-S280 VanDerWaalsContact C-N 3.25Å; N278-S280 PolarHBondContact O-N 2.94Å; S280-H282 PolarHBondContact O-N 3.4Å; S280-V283 WeakPolarHBondContact O-CB 3.36Å; S280-V283 PolarHBondContact O-N 2.76Å; S280-V283 WeakPolarHBondContact OG-CB 3.24Å; S280-V283 WeakPolarHBondContact OG-CG2 3.3Å; S280-V283 PolarHBondContact OG-N 3.2Å; S280-Y284 VanDerWaalsContact O-CD2 3.23Å; S280-Y284 WeakPolarHBondContact O-CD2 3.47Å; S280-Y284 PolarHBondContact O-N 3.48Å; S280-Y284 VanDerWaalsContact O-N 3.12Å
281	L	83.5	Confident	87.1	Confident	118 Å²	118	62.7 Å²	62.7	62%	0.618	32%	0.32	S	S	*	.	H	α-helix	trans	-56.2	-41.4	178.7	-179.7	64.6	0	0	0	111.4	V283 Y284 L285	L281-V283 VanDerWaalsContact C-N 3.29Å; L281-V283 PolarHBondContact O-N 3.32Å; L281-Y284 PolarHBondContact O-N 2.78Å; L281-L285 HydrophobicContact CD1-CG 4.37Å; L281-L285 HydrophobicContact CG-CD1 4.15Å; L281-L285 HydrophobicContact CG-CG 4.43Å; L281-L285 WeakPolarHBondContact O-CG 3.44Å; L281-L285 PolarHBondContact O-N 3.3Å
282	H	84.2	Confident	87.3	Confident	34 Å²	34	64.6 Å²	64.6	16%	0.157	33%	0.33	C	S	.	.	H	α-helix	trans	-56.7	-41.6	176	-63.3	69.4	0	0	0	112.5	S280 Y286 C338	S280-H282 PolarHBondContact O-N 3.4Å; H282-Y286 VanDerWaalsContact O-CB 3.3Å; H282-Y286 WeakPolarHBondContact O-CB 3.24Å; H282-Y286 PolarHBondContact O-N 3.49Å; H282-C338 WeakPolarHBondContact NE2-CB 3.21Å; H282-C338 PolarHBondContact NE2-O 3.37Å; H282-C338 VanDerWaalsContact NE2-O 3.16Å
283	V	86.4	Confident	87.5	Confident	7 Å²	7	61.2 Å²	61.2	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-67.6	-44.3	178.4	164.8	0	0	0	0	111	L275 N278 S280 L281 Y286 L287	L275-V283 HydrophobicContact CB-CG1 3.69Å; L275-V283 HydrophobicContact CD1-CG1 4.19Å; L275-V283 HydrophobicContact CD2-CB 4.44Å; L275-V283 HydrophobicContact CD2-CG1 3.93Å; L275-V283 HydrophobicContact CD2-CG2 3.62Å; L275-V283 HydrophobicContact CG-CG1 4.17Å; N278-V283 HydrophobicContact CB-CG1 4.34Å; N278-V283 HydrophobicContact CB-CG2 4.18Å; S280-V283 WeakPolarHBondContact O-CB 3.36Å; S280-V283 PolarHBondContact O-N 2.76Å; S280-V283 WeakPolarHBondContact OG-CB 3.24Å; S280-V283 WeakPolarHBondContact OG-CG2 3.3Å; S280-V283 PolarHBondContact OG-N 3.2Å; L281-V283 VanDerWaalsContact C-N 3.29Å; L281-V283 PolarHBondContact O-N 3.32Å; V283-Y286 PolarHBondContact O-N 3.04Å; V283-L287 HydrophobicContact CG1-CD1 4.01Å; V283-L287 HydrophobicContact CG1-CG 4.4Å; V283-L287 WeakPolarHBondContact O-CG 3.28Å; V283-L287 PolarHBondContact O-N 2.86Å
284	Y	87.8	Confident	87.8	Confident	123 Å²	123	56 Å²	56	48%	0.482	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-43.5	177.1	-73.7	-64.8	0	0	0	112.6	S280 L281 L287 T288	S280-Y284 VanDerWaalsContact O-CD2 3.23Å; S280-Y284 WeakPolarHBondContact O-CD2 3.47Å; S280-Y284 PolarHBondContact O-N 3.48Å; S280-Y284 VanDerWaalsContact O-N 3.12Å; L281-Y284 PolarHBondContact O-N 2.78Å; Y284-L287 PolarHBondContact O-N 2.81Å; Y284-T288 WeakPolarHBondContact O-CB 3.47Å; Y284-T288 PolarHBondContact O-N 3.05Å; Y284-T288 PolarHBondContact O-OG1 2.81Å
285	L	89.8	Confident	88.1	Confident	47 Å²	47	55.4 Å²	55.4	25%	0.246	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-42.7	176	-70.7	175.3	0	0	0	111.4	L281 T288 H289 V331 V335	L281-L285 HydrophobicContact CD1-CG 4.37Å; L281-L285 HydrophobicContact CG-CD1 4.15Å; L281-L285 HydrophobicContact CG-CG 4.43Å; L281-L285 WeakPolarHBondContact O-CG 3.44Å; L281-L285 PolarHBondContact O-N 3.3Å; L285-T288 WeakPolarHBondContact O-CB 3.26Å; L285-T288 PolarHBondContact O-N 2.74Å; L285-H289 PolarHBondContact O-N 3.32Å; L285-V331 HydrophobicContact CB-CG1 4.41Å; L285-V331 HydrophobicContact CD2-CG1 4.45Å; L285-V331 VanDerWaalsContact O-CG1 3.24Å; L285-V331 WeakPolarHBondContact O-CG1 3.41Å; L285-V335 HydrophobicContact CB-CG2 3.56Å
286	Y	88.6	Confident	88.5	Confident	21 Å²	21	55.3 Å²	55.3	8%	0.082	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-47.4	177.6	179.9	-103.1	0	0	0	112.2	A271 L275 H282 V283 T288 H289 L290 V335 M414 V418	A271-Y286 HydrophobicContact CB-CE1 4.26Å; L275-Y286 HydrophobicContact CD1-CD1 3.86Å; L275-Y286 HydrophobicContact CD1-CE1 4.19Å; H282-Y286 VanDerWaalsContact O-CB 3.3Å; H282-Y286 WeakPolarHBondContact O-CB 3.24Å; H282-Y286 PolarHBondContact O-N 3.49Å; V283-Y286 PolarHBondContact O-N 3.04Å; Y286-T288 VanDerWaalsContact C-N 3.3Å; Y286-T288 PolarHBondContact O-N 3.46Å; Y286-H289 WeakPolarHBondContact O-CB 3.42Å; Y286-H289 PolarHBondContact O-N 2.91Å; Y286-L290 HydrophobicContact CD1-CD1 4.05Å; Y286-L290 HydrophobicContact CD1-CG 4.42Å; Y286-L290 HydrophobicContact CE1-CD1 3.38Å; Y286-L290 HydrophobicContact CE1-CG 3.99Å; Y286-L290 HydrophobicContact CE2-CD2 4.36Å; Y286-L290 HydrophobicContact CE2-CG 4.4Å; Y286-L290 WeakPolarHBondContact O-CG 3.11Å; Y286-L290 PolarHBondContact O-N 2.92Å; Y286-V335 HydrophobicContact CD2-CG1 4.46Å; Y286-M414 HydrophobicContact CD1-CE 4.41Å; Y286-M414 HydrophobicContact CE1-CE 3.34Å; Y286-M414 WeakPolarHBondContact OH-CE 3.4Å; Y286-V418 HydrophobicContact CE2-CG2 3.91Å; Y286-V418 WeakPolarHBondContact OH-CG2 3.25Å
287	L	91.3	Very high	89.1	Confident	14 Å²	14	52.5 Å²	52.5	7%	0.073	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-39.2	175.2	-70.4	176.1	0	0	0	111.6	A271 H272 L275 V283 Y284 L290 W291	A271-L287 HydrophobicContact CB-CD2 4.22Å; H272-L287 HydrophobicContact CB-CD2 4.4Å; L275-L287 HydrophobicContact CB-CD1 4.11Å; L275-L287 HydrophobicContact CB-CD2 4.3Å; L275-L287 HydrophobicContact CB-CG 4.42Å; L275-L287 HydrophobicContact CD1-CD2 4.15Å; L275-L287 HydrophobicContact CD1-CG 4.4Å; V283-L287 HydrophobicContact CG1-CD1 4.01Å; V283-L287 HydrophobicContact CG1-CG 4.4Å; V283-L287 WeakPolarHBondContact O-CG 3.28Å; V283-L287 PolarHBondContact O-N 2.86Å; Y284-L287 PolarHBondContact O-N 2.81Å; L287-L290 PolarHBondContact O-N 2.86Å; L287-W291 VanDerWaalsContact O-CD1 3.26Å; L287-W291 PolarHBondContact O-N 2.5Å
288	T	91.2	Very high	89.7	Confident	68 Å²	68	49.3 Å²	49.3	42%	0.417	26%	0.256	S	S	.	.	H	α-helix	trans	-60.8	-45.8	175.7	-58.2	0	0	0	0	111.2	Y284 L285 Y286 L290 W291 L292	Y284-T288 WeakPolarHBondContact O-CB 3.47Å; Y284-T288 PolarHBondContact O-N 3.05Å; Y284-T288 PolarHBondContact O-OG1 2.81Å; L285-T288 WeakPolarHBondContact O-CB 3.26Å; L285-T288 PolarHBondContact O-N 2.74Å; Y286-T288 VanDerWaalsContact C-N 3.3Å; Y286-T288 PolarHBondContact O-N 3.46Å; T288-L290 VanDerWaalsContact C-N 3.34Å; T288-L290 PolarHBondContact O-N 2.81Å; T288-W291 PolarHBondContact O-N 2.79Å; T288-L292 HydrophobicContact CG2-CD1 3.88Å; T288-L292 HydrophobicContact CG2-CG 4.34Å; T288-L292 WeakPolarHBondContact O-CB 3.33Å; T288-L292 VanDerWaalsContact O-CG 3.28Å; T288-L292 WeakPolarHBondContact O-CG 3.48Å; T288-L292 PolarHBondContact O-N 2.77Å
289	H	93	Very high	90.3	Very high	13 Å²	13	47.4 Å²	47.4	6%	0.06	25%	0.245	C	C	.	.	H	α-helix	trans	-55.5	-48.8	173.3	160.3	66.1	0	0	0	111.6	L285 Y286 W291 L292 A293 A328 V331 F332	L285-H289 PolarHBondContact O-N 3.32Å; Y286-H289 WeakPolarHBondContact O-CB 3.42Å; Y286-H289 PolarHBondContact O-N 2.91Å; H289-W291 PolarHBondContact O-N 3.48Å; H289-L292 PolarHBondContact O-N 3.36Å; H289-A293 VanDerWaalsContact O-CB 3.28Å; H289-A293 WeakPolarHBondContact O-CB 3.5Å; H289-A293 PolarHBondContact O-N 3.38Å; H289-A328 PolarHBondContact ND1-O 3.47Å; H289-V331 HydrophobicContact CB-CB 4.24Å; H289-V331 HydrophobicContact CB-CG1 3.88Å; H289-F332 AromaticContact CD2-CD2 3.82Å; H289-F332 AromaticContact NE2-CD2 3.74Å
290	L	92.6	Very high	91.1	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-39.6	-176.6	-67.1	-173.4	0	0	0	113.3	L267 N268 A271 Y286 L287 T288 S294	L267-L290 HydrophobicContact CD2-CD1 4.21Å; L267-L290 HydrophobicContact CD2-CD2 3.36Å; L267-L290 HydrophobicContact CD2-CG 4.42Å; L267-L290 HydrophobicContact CG-CD1 4.03Å; L267-L290 HydrophobicContact CG-CD2 4.09Å; N268-L290 PolarHBondContact ND2-O 2.76Å; N268-L290 WeakPolarHBondContact OD1-CB 3.12Å; N268-L290 PolarHBondContact OD1-O 2.8Å; A271-L290 HydrophobicContact CB-CD1 3.55Å; Y286-L290 HydrophobicContact CD1-CD1 4.05Å; Y286-L290 HydrophobicContact CD1-CG 4.42Å; Y286-L290 HydrophobicContact CE1-CD1 3.38Å; Y286-L290 HydrophobicContact CE1-CG 3.99Å; Y286-L290 HydrophobicContact CE2-CD2 4.36Å; Y286-L290 HydrophobicContact CE2-CG 4.4Å; Y286-L290 WeakPolarHBondContact O-CG 3.11Å; Y286-L290 PolarHBondContact O-N 2.92Å; L287-L290 PolarHBondContact O-N 2.86Å; T288-L290 VanDerWaalsContact C-N 3.34Å; T288-L290 PolarHBondContact O-N 2.81Å; L290-S294 WeakPolarHBondContact O-CB 3.41Å; L290-S294 PolarHBondContact O-N 3.28Å; L290-S294 PolarHBondContact O-OG 3.37Å
291	W	93.6	Very high	91.5	Very high	141 Å²	141	40.5 Å²	40.5	53%	0.534	20%	0.199	S	C	.	.	H	α-helix	trans	-68.6	-43.9	175.7	-82.7	108.3	0	0	0	111.9	N268 H272 L287 T288 H289 S294 L295	N268-W291 PolarHBondContact OD1-N 2.93Å; H272-W291 AromaticContact ND1-NE1 3.61Å; L287-W291 VanDerWaalsContact O-CD1 3.26Å; L287-W291 PolarHBondContact O-N 2.5Å; T288-W291 PolarHBondContact O-N 2.79Å; H289-W291 PolarHBondContact O-N 3.48Å; W291-S294 PolarHBondContact O-N 3.44Å; W291-L295 WeakPolarHBondContact O-CB 3.26Å; W291-L295 PolarHBondContact O-N 2.98Å
292	L	93.9	Very high	91.9	Very high	40 Å²	40	37.9 Å²	37.9	21%	0.209	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-44.3	175.3	-71.2	173.4	0	0	0	111.4	T288 H289 S294 L295 G296 I324 A328 V331	T288-L292 HydrophobicContact CG2-CD1 3.88Å; T288-L292 HydrophobicContact CG2-CG 4.34Å; T288-L292 WeakPolarHBondContact O-CB 3.33Å; T288-L292 VanDerWaalsContact O-CG 3.28Å; T288-L292 WeakPolarHBondContact O-CG 3.48Å; T288-L292 PolarHBondContact O-N 2.77Å; H289-L292 PolarHBondContact O-N 3.36Å; L292-S294 VanDerWaalsContact C-N 3.33Å; L292-S294 PolarHBondContact O-N 2.81Å; L292-L295 PolarHBondContact O-N 3.08Å; L292-G296 PolarHBondContact O-N 3Å; L292-I324 HydrophobicContact CB-CG2 4.41Å; L292-I324 HydrophobicContact CD2-CG2 4.22Å; L292-I324 VanDerWaalsContact O-CG2 3.25Å; L292-I324 WeakPolarHBondContact O-CG2 3.25Å; L292-A328 HydrophobicContact CB-CB 3.64Å; L292-V331 HydrophobicContact CD1-CG2 4.26Å
293	A	92.8	Very high	92.4	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-40.9	177.6	0	0	0	0	0	111.9	Y264 H289 T297 A328	Y264-A293 HydrophobicContact CD1-CB 4.2Å; Y264-A293 HydrophobicContact CE1-CB 3.76Å; H289-A293 VanDerWaalsContact O-CB 3.28Å; H289-A293 WeakPolarHBondContact O-CB 3.5Å; H289-A293 PolarHBondContact O-N 3.38Å; A293-T297 VanDerWaalsContact O-CB 3.3Å; A293-T297 WeakPolarHBondContact O-CB 3.48Å; A293-T297 PolarHBondContact O-N 2.77Å; A293-T297 PolarHBondContact O-OG1 3Å; A293-A328 HydrophobicContact CB-CB 4.01Å
294	S	94.2	Very high	92.6	Very high	13 Å²	13	38.7 Å²	38.7	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-44	174.7	-59.3	0	0	0	0	112.1	N268 L290 W291 L292 T297 L298	N268-S294 PolarHBondContact ND2-OG 3.29Å; L290-S294 WeakPolarHBondContact O-CB 3.41Å; L290-S294 PolarHBondContact O-N 3.28Å; L290-S294 PolarHBondContact O-OG 3.37Å; W291-S294 PolarHBondContact O-N 3.44Å; L292-S294 VanDerWaalsContact C-N 3.33Å; L292-S294 PolarHBondContact O-N 2.81Å; S294-T297 PolarHBondContact O-N 3.16Å; S294-L298 VanDerWaalsContact O-CB 3.23Å; S294-L298 WeakPolarHBondContact O-CB 3.28Å; S294-L298 PolarHBondContact O-N 2.86Å
295	L	95.2	Very high	92.8	Very high	78 Å²	78	33.3 Å²	33.3	41%	0.408	17%	0.171	S	C	.	.	H	α-helix	trans	-63.6	-47.1	179.2	-180	59.7	0	0	0	111.1	W291 L292 T297 L298 L299 I324	W291-L295 WeakPolarHBondContact O-CB 3.26Å; W291-L295 PolarHBondContact O-N 2.98Å; L292-L295 PolarHBondContact O-N 3.08Å; L295-T297 PolarHBondContact O-N 2.83Å; L295-L298 PolarHBondContact O-N 3.22Å; L295-L299 HydrophobicContact CD1-CD1 4.39Å; L295-L299 HydrophobicContact CD1-CG 4.37Å; L295-L299 HydrophobicContact CG-CD1 4.33Å; L295-L299 VanDerWaalsContact O-CG 3.29Å; L295-L299 WeakPolarHBondContact O-CG 3.34Å; L295-L299 PolarHBondContact O-N 2.94Å; L295-I324 HydrophobicContact CB-CG2 4.24Å; L295-I324 HydrophobicContact CD2-CD1 3.98Å; L295-I324 HydrophobicContact CD2-CG2 4.35Å; L295-I324 HydrophobicContact CG-CD1 4.16Å; L295-I324 HydrophobicContact CG-CG2 4.28Å
296	G	94	Very high	92.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-43.5	176.1	0	0	0	0	0	112.4	L292 L299 A300	L292-G296 PolarHBondContact O-N 3Å; G296-L299 PolarHBondContact O-N 3.41Å; G296-A300 PolarHBondContact O-N 3.5Å
297	T	93.2	Very high	93	Very high	10 Å²	10	33 Å²	33	6%	0.061	17%	0.172	C	C	.	.	H	α-helix	trans	-66.2	-38.2	177	-53.5	0	0	0	0	112	F257 F260 L261 Y264 A293 S294 L295 A300 A301	F257-T297 HydrophobicContact CD1-CG2 4.12Å; F260-T297 HydrophobicContact CB-CG2 3.82Å; L261-T297 HydrophobicContact CB-CG2 4.04Å; Y264-T297 HydrophobicContact CD2-CG2 4.25Å; A293-T297 VanDerWaalsContact O-CB 3.3Å; A293-T297 WeakPolarHBondContact O-CB 3.48Å; A293-T297 PolarHBondContact O-N 2.77Å; A293-T297 PolarHBondContact O-OG1 3Å; S294-T297 PolarHBondContact O-N 3.16Å; L295-T297 PolarHBondContact O-N 2.83Å; T297-A300 PolarHBondContact O-N 3.23Å; T297-A301 VanDerWaalsContact O-CB 3.31Å; T297-A301 WeakPolarHBondContact O-CB 3.29Å; T297-A301 PolarHBondContact O-N 2.8Å
298	L	95.4	Very high	92.9	Very high	76 Å²	76	32.3 Å²	32.3	40%	0.398	17%	0.168	S	C	.	.	H	α-helix	trans	-62.3	-48.4	175.4	174.9	65.2	0	0	0	111	L261 S294 L295 A300 A301 V302	L261-L298 HydrophobicContact CD1-CB 3.84Å; L261-L298 HydrophobicContact CD1-CD1 4.24Å; L261-L298 HydrophobicContact CD2-CD1 3.71Å; S294-L298 VanDerWaalsContact O-CB 3.23Å; S294-L298 WeakPolarHBondContact O-CB 3.28Å; S294-L298 PolarHBondContact O-N 2.86Å; L295-L298 PolarHBondContact O-N 3.22Å; L298-A300 VanDerWaalsContact C-N 3.31Å; L298-A300 PolarHBondContact O-N 3.42Å; L298-A301 PolarHBondContact O-N 2.84Å; L298-V302 HydrophobicContact CD1-CG2 4.27Å; L298-V302 WeakPolarHBondContact O-CG2 3.19Å; L298-V302 PolarHBondContact O-N 2.75Å
299	L	94.8	Very high	92.7	Very high	31 Å²	31	35 Å²	35	16%	0.162	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-41.8	178.4	-67.1	172.2	0	0	0	111.2	L295 G296 V302 H303 I317 L320 I324	L295-L299 HydrophobicContact CD1-CD1 4.39Å; L295-L299 HydrophobicContact CD1-CG 4.37Å; L295-L299 HydrophobicContact CG-CD1 4.33Å; L295-L299 VanDerWaalsContact O-CG 3.29Å; L295-L299 WeakPolarHBondContact O-CG 3.34Å; L295-L299 PolarHBondContact O-N 2.94Å; G296-L299 PolarHBondContact O-N 3.41Å; L299-V302 PolarHBondContact O-N 2.83Å; L299-H303 WeakPolarHBondContact O-CB 3.44Å; L299-H303 PolarHBondContact O-N 3.03Å; L299-I317 HydrophobicContact CB-CG2 3.89Å; L299-I317 HydrophobicContact CD2-CG2 3.89Å; L299-I317 HydrophobicContact CG-CG2 4.45Å; L299-I317 WeakPolarHBondContact O-CG2 3.32Å; L299-L320 HydrophobicContact CD1-CD2 4.32Å; L299-L320 HydrophobicContact CD1-CG 4.2Å; L299-I324 HydrophobicContact CD1-CD1 3.59Å
300	A	92.2	Very high	92.4	Very high	11 Å²	11	37.1 Å²	37.1	9%	0.091	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-44.5	173.9	0	0	0	0	0	112.6	F257 G296 T297 L298 V302 H303 W304	F257-A300 HydrophobicContact CD1-CB 3.62Å; F257-A300 HydrophobicContact CE1-CB 3.49Å; F257-A300 VanDerWaalsContact CE1-CB 3.49Å; F257-A300 HydrophobicContact CG-CB 4.22Å; F257-A300 HydrophobicContact CZ-CB 3.99Å; G296-A300 PolarHBondContact O-N 3.5Å; T297-A300 PolarHBondContact O-N 3.23Å; L298-A300 VanDerWaalsContact C-N 3.31Å; L298-A300 PolarHBondContact O-N 3.42Å; A300-V302 VanDerWaalsContact C-N 3.32Å; A300-V302 PolarHBondContact O-N 3.35Å; A300-H303 PolarHBondContact O-N 2.84Å; A300-W304 PolarHBondContact O-N 2.94Å
301	A	93.1	Very high	92.1	Very high	1 Å²	1	37 Å²	37	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-39.8	177.3	0	0	0	0	0	111.9	F257 F258 L261 T297 L298 G305	F257-A301 HydrophobicContact CB-CB 4.07Å; F258-A301 HydrophobicContact CD1-CB 4.15Å; F258-A301 HydrophobicContact CE1-CB 4.13Å; L261-A301 HydrophobicContact CD2-CB 4.13Å; T297-A301 VanDerWaalsContact O-CB 3.31Å; T297-A301 WeakPolarHBondContact O-CB 3.29Å; T297-A301 PolarHBondContact O-N 2.8Å; L298-A301 PolarHBondContact O-N 2.84Å; A301-G305 WeakPolarHBondContact O-CA 3.21Å; A301-G305 PolarHBondContact O-N 2.01Å
302	V	93.6	Very high	91.7	Very high	62 Å²	62	35.5 Å²	35.5	38%	0.376	18%	0.18	S	C	.	.	H	α-helix	trans	-65.2	-45.7	173.7	170.8	0	0	0	0	110.8	L298 L299 A300 G305 V306 L314	L298-V302 HydrophobicContact CD1-CG2 4.27Å; L298-V302 WeakPolarHBondContact O-CG2 3.19Å; L298-V302 PolarHBondContact O-N 2.75Å; L299-V302 PolarHBondContact O-N 2.83Å; A300-V302 VanDerWaalsContact C-N 3.32Å; A300-V302 PolarHBondContact O-N 3.35Å; V302-G305 PolarHBondContact O-N 2.79Å; V302-V306 HydrophobicContact CG1-CG2 4.49Å; V302-V306 WeakPolarHBondContact O-CG2 3.47Å; V302-V306 PolarHBondContact O-N 2.97Å; V302-L314 HydrophobicContact CG1-CD1 4.2Å
303	H	93	Very high	91.4	Very high	12 Å²	12	34.2 Å²	34.2	6%	0.056	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-54.4	177.5	169	78.1	0	0	0	112.1	L299 A300 G305 V306 F307 L314 S318	L299-H303 WeakPolarHBondContact O-CB 3.44Å; L299-H303 PolarHBondContact O-N 3.03Å; A300-H303 PolarHBondContact O-N 2.84Å; H303-G305 VanDerWaalsContact C-N 3.31Å; H303-G305 PolarHBondContact O-N 2.91Å; H303-V306 PolarHBondContact O-N 2.83Å; H303-F307 WeakPolarHBondContact O-CB 3.46Å; H303-F307 PolarHBondContact O-N 3.1Å; H303-L314 PolarHBondContact ND1-N 2.64Å; H303-L314 PolarHBondContact ND1-O 2.83Å; H303-S318 PolarHBondContact CD2-OG 2.84Å
304	W	91.6	Very high	91.1	Very high	47 Å²	47	37.2 Å²	37.2	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-68.5	-32.5	-179.5	-66	119.9	0	0	0	112.5	F246 I253 A254 F257 A300 F307 S308	F246-W304 HydrophobicContact CD1-CE3 4.47Å; F246-W304 HydrophobicContact CE1-CD2 4.4Å; F246-W304 AromaticContact CE1-CE3 3.52Å; F246-W304 HydrophobicContact CE1-CE3 3.52Å; F246-W304 AromaticContact CE1-CZ3 3.95Å; F246-W304 HydrophobicContact CE1-CZ3 3.95Å; F246-W304 HydrophobicContact CZ-CE3 4.23Å; I253-W304 HydrophobicContact CD1-CH2 4.34Å; I253-W304 HydrophobicContact CD1-CZ2 3.76Å; I253-W304 HydrophobicContact CG2-CD2 3.9Å; I253-W304 HydrophobicContact CG2-CE3 4Å; I253-W304 HydrophobicContact CG2-CG 4.24Å; I253-W304 HydrophobicContact CG2-CZ3 4.41Å; A254-W304 HydrophobicContact CB-CB 4.01Å; F257-W304 AromaticContact CD2-CD1 3.27Å; F257-W304 HydrophobicContact CD2-CG 4.28Å; F257-W304 AromaticContact CD2-NE1 3.6Å; F257-W304 AromaticContact CE2-CD1 3.5Å; F257-W304 AromaticContact CE2-NE1 3.27Å; F257-W304 VanDerWaalsContact CE2-NE1 3.27Å; A300-W304 PolarHBondContact O-N 2.94Å; W304-F307 HydrophobicContact CE3-CB 4.35Å; W304-F307 HydrophobicContact CE3-CD1 4.32Å; W304-F307 HydrophobicContact CE3-CG 4.31Å; W304-F307 HydrophobicContact CZ3-CD1 4.43Å; W304-F307 HydrophobicContact CZ3-CG 4.49Å; W304-F307 PolarHBondContact O-N 3.25Å; W304-S308 PolarHBondContact O-N 3.19Å; W304-S308 VanDerWaalsContact O-N 3.11Å
305	G	91.5	Very high	90.7	Very high	10 Å²	10	37.3 Å²	37.3	10%	0.103	19%	0.194	C	C	.	.	H	α-helix	trans	-65.7	-35.7	173	0	0	0	0	0	112.8	A301 V302 H303 S308 F309	A301-G305 WeakPolarHBondContact O-CA 3.21Å; A301-G305 PolarHBondContact O-N 2.01Å; V302-G305 PolarHBondContact O-N 2.79Å; H303-G305 VanDerWaalsContact C-N 3.31Å; H303-G305 PolarHBondContact O-N 2.91Å; G305-S308 PolarHBondContact O-OG 3.08Å; G305-F309 WeakPolarHBondContact O-CD2 3.04Å; G305-F309 VanDerWaalsContact O-CE2 3.32Å; G305-F309 WeakPolarHBondContact O-CE2 3.32Å
306	V	91.9	Very high	90.2	Very high	47 Å²	47	39.4 Å²	39.4	29%	0.285	21%	0.205	S	C	.	.	H	α-helix	trans	-77.1	-40.7	173.9	172.1	0	0	0	0	111	V302 H303 S308 F309 D310 L314	V302-V306 HydrophobicContact CG1-CG2 4.49Å; V302-V306 WeakPolarHBondContact O-CG2 3.47Å; V302-V306 PolarHBondContact O-N 2.97Å; H303-V306 PolarHBondContact O-N 2.83Å; V306-S308 PolarHBondContact O-N 3.13Å; V306-F309 PolarHBondContact O-N 2.97Å; V306-D310 PolarHBondContact O-N 2.88Å; V306-D310 VanDerWaalsContact O-N 3.17Å; V306-D310 VanDerWaalsContact O-OD1 3.12Å; V306-L314 HydrophobicContact CB-CD1 4.36Å; V306-L314 HydrophobicContact CB-CG 4.39Å; V306-L314 HydrophobicContact CG1-CD1 4.44Å; V306-L314 HydrophobicContact CG1-CG 4.16Å; V306-L314 HydrophobicContact CG2-CD1 3.95Å; V306-L314 HydrophobicContact CG2-CG 4.5Å
307	F	90.8	Very high	89.9	Confident	13 Å²	13	42 Å²	42	6%	0.057	22%	0.219	C	C	.	.	H	α-helix	trans	-56.4	-34.7	177.6	-174.1	-87.1	0	0	0	112.5	L21 H245 F246 H303 W304 F309 D310 G311	L21-F307 HydrophobicContact CB-CZ 4.16Å; H245-F307 HydrophobicContact CB-CD1 4.46Å; H245-F307 HydrophobicContact CB-CE1 4.17Å; H245-F307 WeakPolarHBondContact O-CE1 3.41Å; F246-F307 AromaticContact CD1-CD1 3.94Å; F246-F307 HydrophobicContact CD1-CD1 3.94Å; F246-F307 AromaticContact CD1-CE1 3.84Å; F246-F307 HydrophobicContact CD1-CE1 3.84Å; F246-F307 HydrophobicContact CD2-CD1 4.26Å; F246-F307 HydrophobicContact CD2-CE1 4.36Å; F246-F307 AromaticContact CE1-CD1 3.55Å; F246-F307 HydrophobicContact CE1-CD1 3.55Å; F246-F307 AromaticContact CE1-CE1 3.94Å; F246-F307 HydrophobicContact CE1-CE1 3.94Å; F246-F307 AromaticContact CE2-CD1 3.9Å; F246-F307 HydrophobicContact CE2-CD1 3.9Å; F246-F307 HydrophobicContact CE2-CE1 4.45Å; F246-F307 HydrophobicContact CG-CD1 4.29Å; F246-F307 HydrophobicContact CG-CE1 4.07Å; F246-F307 AromaticContact CZ-CD1 3.53Å; F246-F307 HydrophobicContact CZ-CD1 3.53Å; F246-F307 HydrophobicContact CZ-CE1 4.26Å; F246-F307 HydrophobicContact CZ-CG 4.47Å; H303-F307 WeakPolarHBondContact O-CB 3.46Å; H303-F307 PolarHBondContact O-N 3.1Å; W304-F307 HydrophobicContact CE3-CB 4.35Å; W304-F307 HydrophobicContact CE3-CD1 4.32Å; W304-F307 HydrophobicContact CE3-CG 4.31Å; W304-F307 HydrophobicContact CZ3-CD1 4.43Å; W304-F307 HydrophobicContact CZ3-CG 4.49Å; W304-F307 PolarHBondContact O-N 3.25Å; F307-F309 PolarHBondContact O-N 2.82Å; F307-D310 WeakPolarHBondContact CA-OD1 3.02Å; F307-G311 WeakPolarHBondContact CE2-O 3.49Å; F307-G311 WeakPolarHBondContact O-CA 3.25Å; F307-G311 PolarHBondContact O-N 2.81Å
308	S	88.8	Confident	89.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-18.3	175.2	74.3	0	0	0	0	114.2	Q241 H245 W304 G305 V306	Q241-S308 WeakPolarHBondContact CG-O 3.25Å; H245-S308 PolarHBondContact CD2-O 2.88Å; W304-S308 PolarHBondContact O-N 3.19Å; W304-S308 VanDerWaalsContact O-N 3.11Å; G305-S308 PolarHBondContact O-OG 3.08Å; V306-S308 PolarHBondContact O-N 3.13Å
309	F	87.5	Confident	89.1	Confident	125 Å²	125	41.7 Å²	41.7	55%	0.548	22%	0.217	S	C	.	.	H	α-helix	trans	-96.6	-39.4	177.2	-68.8	-106.3	0	0	0	111.9	Q237 H245 G305 V306 F307	Q237-F309 PolarHBondContact NE2-O 2.65Å; H245-F309 PolarHBondContact NE2-O 3.1Å; G305-F309 WeakPolarHBondContact O-CD2 3.04Å; G305-F309 VanDerWaalsContact O-CE2 3.32Å; G305-F309 WeakPolarHBondContact O-CE2 3.32Å; V306-F309 PolarHBondContact O-N 2.97Å; F307-F309 PolarHBondContact O-N 2.82Å
310	D	87.1	Confident	88.9	Confident	58 Å²	58	44.7 Å²	44.7	31%	0.31	23%	0.232	S	C	.	.	H	α-helix	trans	-116.2	-8.8	-168.2	73.6	-1.2	0	0	0	115.5	V306 F307 R312 G313	V306-D310 PolarHBondContact O-N 2.88Å; V306-D310 VanDerWaalsContact O-N 3.17Å; V306-D310 VanDerWaalsContact O-OD1 3.12Å; F307-D310 WeakPolarHBondContact CA-OD1 3.02Å; D310-R312 PolarHBondContact O-N 2.69Å; D310-R312 VanDerWaalsContact O-N 3.07Å; D310-R312 PolarHBondContact OD1-N 2.74Å; D310-G313 PolarHBondContact OD1-N 3.26Å
311	G	85.9	Confident	88.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	64.4	3.3	-176.3	0	0	0	0	0	115.5	L21 F307	L21-G311 WeakPolarHBondContact CB-O 3.43Å; L21-G311 PolarHBondContact N-O 3.48Å; F307-G311 WeakPolarHBondContact CE2-O 3.49Å; F307-G311 WeakPolarHBondContact O-CA 3.25Å; F307-G311 PolarHBondContact O-N 2.81Å
312	R	85.5	Confident	88.7	Confident	108 Å²	108	47.6 Å²	47.6	41%	0.408	25%	0.249	S	C	.	.	S	Bend	trans	-108.5	-40.7	179.3	-63.2	-175.4	-172.4	-175.4	9.5	111.3	T20 H22 D310	T20-R312 HydrophobicContact CG2-CB 4.42Å; H22-R312 HydrophobicContact CB-CG 4.38Å; H22-R312 PolarHBondContact CE1-NE 3.28Å; H22-R312 VanDerWaalsContact CE1-NE 3.35Å; H22-R312 PolarHBondContact CE1-NH2 2.65Å; H22-R312 PolarHBondContact ND1-NE 3.28Å; D310-R312 PolarHBondContact O-N 2.69Å; D310-R312 VanDerWaalsContact O-N 3.07Å; D310-R312 PolarHBondContact OD1-N 2.74Å
313	G	86.3	Confident	88.5	Confident	13 Å²	13	47 Å²	47	13%	0.134	25%	0.246	C	C	.	.			trans	60.8	-173	-174.7	0	0	0	0	0	113	D310	D310-G313 PolarHBondContact OD1-N 3.26Å
314	L	87.9	Confident	88.5	Confident	67 Å²	67	47.3 Å²	47.3	35%	0.351	25%	0.248	S	C	.	.			trans	-107.2	82.5	-179.6	-61.3	170	0	0	0	109.9	V302 H303 V306 L316 I317 S318	V302-L314 HydrophobicContact CG1-CD1 4.2Å; H303-L314 PolarHBondContact ND1-N 2.64Å; H303-L314 PolarHBondContact ND1-O 2.83Å; V306-L314 HydrophobicContact CB-CD1 4.36Å; V306-L314 HydrophobicContact CB-CG 4.39Å; V306-L314 HydrophobicContact CG1-CD1 4.44Å; V306-L314 HydrophobicContact CG1-CG 4.16Å; V306-L314 HydrophobicContact CG2-CD1 3.95Å; V306-L314 HydrophobicContact CG2-CG 4.5Å; L314-L316 PolarHBondContact O-N 2.59Å; L314-I317 HydrophobicContact CB-CB 3.93Å; L314-I317 HydrophobicContact CB-CD1 3.9Å; L314-I317 HydrophobicContact CB-CG1 4.32Å; L314-I317 HydrophobicContact CD1-CD1 3.66Å; L314-I317 HydrophobicContact CG-CD1 4.29Å; L314-I317 PolarHBondContact O-N 3.13Å; L314-I317 VanDerWaalsContact O-N 3.13Å; L314-S318 PolarHBondContact O-N 2.92Å; L314-S318 VanDerWaalsContact O-N 3.08Å
315	G	84.3	Confident	88.5	Confident	14 Å²	14	46.9 Å²	46.9	14%	0.144	25%	0.25	C	S	.	.	H	α-helix	trans	-52.7	-49.3	-172.8	0	0	0	0	0	113.8	I317 S318 E319	G315-I317 VanDerWaalsContact C-N 3.3Å; G315-I317 PolarHBondContact O-N 2.89Å; G315-S318 VanDerWaalsContact O-CB 3.27Å; G315-S318 WeakPolarHBondContact O-CB 3.23Å; G315-S318 PolarHBondContact O-N 3.02Å; G315-S318 VanDerWaalsContact O-N 3.07Å; G315-E319 WeakPolarHBondContact O-CG 3.45Å; G315-E319 PolarHBondContact O-N 3.25Å
316	L	85	Confident	88.4	Confident	122 Å²	122	51.7 Å²	51.7	64%	0.639	27%	0.27	S	S	*	.	H	α-helix	trans	-60.1	-37.3	178.9	-65.1	175.6	0	0	0	113.3	L314 S318 L320	L314-L316 PolarHBondContact O-N 2.59Å; L316-S318 VanDerWaalsContact C-N 3.35Å; L316-L320 VanDerWaalsContact O-CB 3.32Å; L316-L320 WeakPolarHBondContact O-CB 3.45Å; L316-L320 PolarHBondContact O-N 2.97Å
317	I	89.2	Confident	88.5	Confident	55 Å²	55	56.3 Å²	56.3	28%	0.282	28%	0.283	S	S	.	.	H	α-helix	trans	-68.9	-38.1	177.6	-77.3	166.6	0	0	0	110.3	L299 L314 G315 G321	L299-I317 HydrophobicContact CB-CG2 3.89Å; L299-I317 HydrophobicContact CD2-CG2 3.89Å; L299-I317 HydrophobicContact CG-CG2 4.45Å; L299-I317 WeakPolarHBondContact O-CG2 3.32Å; L314-I317 HydrophobicContact CB-CB 3.93Å; L314-I317 HydrophobicContact CB-CD1 3.9Å; L314-I317 HydrophobicContact CB-CG1 4.32Å; L314-I317 HydrophobicContact CD1-CD1 3.66Å; L314-I317 HydrophobicContact CG-CD1 4.29Å; L314-I317 PolarHBondContact O-N 3.13Å; L314-I317 VanDerWaalsContact O-N 3.13Å; G315-I317 VanDerWaalsContact C-N 3.3Å; G315-I317 PolarHBondContact O-N 2.89Å; I317-G321 PolarHBondContact O-N 2.84Å
318	S	85.7	Confident	88.6	Confident	22 Å²	22	55.7 Å²	55.7	15%	0.154	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-45.6	175	-162.5	0	0	0	0	112.2	H303 L314 G315 L316 G321 T322	H303-S318 PolarHBondContact CD2-OG 2.84Å; L314-S318 PolarHBondContact O-N 2.92Å; L314-S318 VanDerWaalsContact O-N 3.08Å; G315-S318 VanDerWaalsContact O-CB 3.27Å; G315-S318 WeakPolarHBondContact O-CB 3.23Å; G315-S318 PolarHBondContact O-N 3.02Å; G315-S318 VanDerWaalsContact O-N 3.07Å; L316-S318 VanDerWaalsContact C-N 3.35Å; S318-G321 PolarHBondContact O-N 2.73Å; S318-T322 WeakPolarHBondContact O-CB 3.11Å; S318-T322 PolarHBondContact O-N 2.53Å; S318-T322 PolarHBondContact O-OG1 2.81Å
319	E	86.1	Confident	88.7	Confident	58 Å²	58	59.4 Å²	59.4	27%	0.271	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-48.1	177.3	-70	169.9	172.6	0	0	111.2	T15 G315 G321 T322 V323	T15-E319 VanDerWaalsContact CB-CD 3.48Å; T15-E319 WeakPolarHBondContact CB-OE1 3.41Å; T15-E319 WeakPolarHBondContact CB-OE2 3.5Å; T15-E319 HydrophobicContact CG2-CG 4.38Å; T15-E319 WeakPolarHBondContact CG2-OE2 3.34Å; T15-E319 PolarHBondContact OG1-OE2 2.86Å; G315-E319 WeakPolarHBondContact O-CG 3.45Å; G315-E319 PolarHBondContact O-N 3.25Å; E319-G321 VanDerWaalsContact C-N 3.33Å; E319-G321 PolarHBondContact O-N 3.43Å; E319-T322 WeakPolarHBondContact O-CB 3.39Å; E319-T322 PolarHBondContact O-N 2.88Å; E319-V323 WeakPolarHBondContact O-CG2 3.33Å; E319-V323 PolarHBondContact O-N 3.37Å
320	L	89.9	Confident	88.9	Confident	93 Å²	93	57.1 Å²	57.1	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-44.1	174.9	179.8	62.9	0	0	0	111.5	L299 L316 T322 V323 I324	L299-L320 HydrophobicContact CD1-CD2 4.32Å; L299-L320 HydrophobicContact CD1-CG 4.2Å; L316-L320 VanDerWaalsContact O-CB 3.32Å; L316-L320 WeakPolarHBondContact O-CB 3.45Å; L316-L320 PolarHBondContact O-N 2.97Å; L320-T322 VanDerWaalsContact C-N 3.31Å; L320-T322 PolarHBondContact O-N 3.19Å; L320-V323 PolarHBondContact O-N 2.94Å; L320-I324 HydrophobicContact CD1-CD1 4.04Å; L320-I324 HydrophobicContact CD1-CG1 4.37Å; L320-I324 HydrophobicContact CG-CD1 3.85Å; L320-I324 WeakPolarHBondContact O-CB 3.35Å; L320-I324 VanDerWaalsContact O-CG1 3.31Å; L320-I324 WeakPolarHBondContact O-CG1 3.36Å; L320-I324 PolarHBondContact O-N 2.86Å
321	G	90.4	Very high	89	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-57.7	-44.2	175.3	0	0	0	0	0	112	I317 S318 E319 I324 T325	I317-G321 PolarHBondContact O-N 2.84Å; S318-G321 PolarHBondContact O-N 2.73Å; E319-G321 VanDerWaalsContact C-N 3.33Å; E319-G321 PolarHBondContact O-N 3.43Å; G321-I324 PolarHBondContact O-N 2.82Å; G321-T325 PolarHBondContact O-N 3.48Å; G321-T325 PolarHBondContact O-OG1 2.93Å; G321-T325 VanDerWaalsContact O-OG1 3.12Å
322	T	89.9	Confident	89.2	Confident	72 Å²	72	58.2 Å²	58.2	44%	0.442	30%	0.304	S	S	.	.	H	α-helix	trans	-61.2	-46.2	177	-58.2	0	0	0	0	111.7	S318 E319 L320 I324 T325 Q326	S318-T322 WeakPolarHBondContact O-CB 3.11Å; S318-T322 PolarHBondContact O-N 2.53Å; S318-T322 PolarHBondContact O-OG1 2.81Å; E319-T322 WeakPolarHBondContact O-CB 3.39Å; E319-T322 PolarHBondContact O-N 2.88Å; L320-T322 VanDerWaalsContact C-N 3.31Å; L320-T322 PolarHBondContact O-N 3.19Å; T322-I324 PolarHBondContact O-N 2.86Å; T322-T325 PolarHBondContact O-N 3.36Å; T322-Q326 WeakPolarHBondContact O-CG 3.37Å; T322-Q326 PolarHBondContact O-N 2.86Å
323	V	90.3	Very high	89.4	Confident	50 Å²	50	57.9 Å²	57.9	30%	0.303	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-44.4	176.8	173.9	0	0	0	0	111.1	E319 L320 T325 Q326 W327	E319-V323 WeakPolarHBondContact O-CG2 3.33Å; E319-V323 PolarHBondContact O-N 3.37Å; L320-V323 PolarHBondContact O-N 2.94Å; V323-T325 VanDerWaalsContact C-N 3.35Å; V323-T325 PolarHBondContact O-N 3.42Å; V323-Q326 PolarHBondContact O-N 2.89Å; V323-W327 HydrophobicContact CG1-CZ2 4.45Å; V323-W327 PolarHBondContact O-N 3.39Å
324	I	92.8	Very high	89.5	Confident	19 Å²	19	59 Å²	59	10%	0.097	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-41.5	177.8	-71.3	168.4	0	0	0	111.2	L292 L295 L299 L320 G321 T322 W327 A328	L292-I324 HydrophobicContact CB-CG2 4.41Å; L292-I324 HydrophobicContact CD2-CG2 4.22Å; L292-I324 VanDerWaalsContact O-CG2 3.25Å; L292-I324 WeakPolarHBondContact O-CG2 3.25Å; L295-I324 HydrophobicContact CB-CG2 4.24Å; L295-I324 HydrophobicContact CD2-CD1 3.98Å; L295-I324 HydrophobicContact CD2-CG2 4.35Å; L295-I324 HydrophobicContact CG-CD1 4.16Å; L295-I324 HydrophobicContact CG-CG2 4.28Å; L299-I324 HydrophobicContact CD1-CD1 3.59Å; L320-I324 HydrophobicContact CD1-CD1 4.04Å; L320-I324 HydrophobicContact CD1-CG1 4.37Å; L320-I324 HydrophobicContact CG-CD1 3.85Å; L320-I324 WeakPolarHBondContact O-CB 3.35Å; L320-I324 VanDerWaalsContact O-CG1 3.31Å; L320-I324 WeakPolarHBondContact O-CG1 3.36Å; L320-I324 PolarHBondContact O-N 2.86Å; G321-I324 PolarHBondContact O-N 2.82Å; T322-I324 PolarHBondContact O-N 2.86Å; I324-W327 WeakPolarHBondContact O-CB 3.31Å; I324-W327 PolarHBondContact O-N 2.77Å; I324-A328 PolarHBondContact O-N 3.26Å
325	T	90.9	Very high	89.4	Confident	37 Å²	37	56.2 Å²	56.2	23%	0.227	30%	0.304	C	S	.	.	H	α-helix	trans	-63.8	-42.3	175.3	-63.1	0	0	0	0	111.7	G321 T322 V323 W327 A328 D329	G321-T325 PolarHBondContact O-N 3.48Å; G321-T325 PolarHBondContact O-OG1 2.93Å; G321-T325 VanDerWaalsContact O-OG1 3.12Å; T322-T325 PolarHBondContact O-N 3.36Å; V323-T325 VanDerWaalsContact C-N 3.35Å; V323-T325 PolarHBondContact O-N 3.42Å; T325-W327 VanDerWaalsContact C-N 3.29Å; T325-W327 PolarHBondContact O-N 3.01Å; T325-A328 WeakPolarHBondContact O-CA 3.23Å; T325-A328 VanDerWaalsContact O-CB 3.31Å; T325-A328 WeakPolarHBondContact O-CB 3.46Å; T325-A328 PolarHBondContact O-N 3.24Å; T325-A328 VanDerWaalsContact O-N 3.09Å; T325-D329 PolarHBondContact O-N 2.88Å
326	Q	90.9	Very high	89.5	Confident	112 Å²	112	59.1 Å²	59.1	52%	0.523	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-37.7	174.8	-71.9	173.2	-5.4	0	0	112.4	T322 V323 D329 S330	T322-Q326 WeakPolarHBondContact O-CG 3.37Å; T322-Q326 PolarHBondContact O-N 2.86Å; V323-Q326 PolarHBondContact O-N 2.89Å; Q326-D329 PolarHBondContact O-N 2.78Å; Q326-S330 PolarHBondContact O-N 3.17Å; Q326-S330 PolarHBondContact O-OG 2.9Å
327	W	92.5	Very high	89.5	Confident	144 Å²	144	58.1 Å²	58.1	55%	0.545	31%	0.31	S	S	.	.	H	α-helix	trans	-65.7	-42.5	172.4	-72.6	11.9	0	0	0	111.6	V323 I324 T325 D329 S330 V331	V323-W327 HydrophobicContact CG1-CZ2 4.45Å; V323-W327 PolarHBondContact O-N 3.39Å; I324-W327 WeakPolarHBondContact O-CB 3.31Å; I324-W327 PolarHBondContact O-N 2.77Å; T325-W327 VanDerWaalsContact C-N 3.29Å; T325-W327 PolarHBondContact O-N 3.01Å; W327-D329 VanDerWaalsContact C-N 3.31Å; W327-D329 PolarHBondContact O-N 3.29Å; W327-S330 WeakPolarHBondContact O-CB 3.49Å; W327-S330 PolarHBondContact O-N 3.27Å; W327-V331 WeakPolarHBondContact O-CG2 3.5Å; W327-V331 PolarHBondContact O-N 3.46Å
328	A	93.2	Very high	89	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.5	-45.6	175.2	0	0	0	0	0	111.1	H289 L292 A293 I324 T325 S330 V331 F332	H289-A328 PolarHBondContact ND1-O 3.47Å; L292-A328 HydrophobicContact CB-CB 3.64Å; A293-A328 HydrophobicContact CB-CB 4.01Å; I324-A328 PolarHBondContact O-N 3.26Å; T325-A328 WeakPolarHBondContact O-CA 3.23Å; T325-A328 VanDerWaalsContact O-CB 3.31Å; T325-A328 WeakPolarHBondContact O-CB 3.46Å; T325-A328 PolarHBondContact O-N 3.24Å; T325-A328 VanDerWaalsContact O-N 3.09Å; A328-S330 VanDerWaalsContact C-N 3.33Å; A328-S330 PolarHBondContact O-N 3.3Å; A328-V331 PolarHBondContact O-N 3.02Å; A328-F332 PolarHBondContact O-N 2.83Å
329	D	90.8	Very high	88.7	Confident	77 Å²	77	56.9 Å²	56.9	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-37.5	178.5	-69.3	-20.7	0	0	0	111.9	T325 Q326 W327 F332 L333	T325-D329 PolarHBondContact O-N 2.88Å; Q326-D329 PolarHBondContact O-N 2.78Å; W327-D329 VanDerWaalsContact C-N 3.31Å; W327-D329 PolarHBondContact O-N 3.29Å; D329-F332 WeakPolarHBondContact O-CB 3.11Å; D329-F332 PolarHBondContact O-N 2.79Å; D329-L333 PolarHBondContact O-N 3.12Å
330	S	91.9	Very high	88.3	Confident	78 Å²	78	59.3 Å²	59.3	55%	0.545	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-42.3	175	-58.7	0	0	0	0	112.1	Q326 W327 A328 L333 A334	Q326-S330 PolarHBondContact O-N 3.17Å; Q326-S330 PolarHBondContact O-OG 2.9Å; W327-S330 WeakPolarHBondContact O-CB 3.49Å; W327-S330 PolarHBondContact O-N 3.27Å; A328-S330 VanDerWaalsContact C-N 3.33Å; A328-S330 PolarHBondContact O-N 3.3Å; S330-L333 PolarHBondContact O-N 3.23Å; S330-A334 PolarHBondContact O-N 3.07Å; S330-A334 VanDerWaalsContact O-N 3.09Å
331	V	90.3	Very high	87.7	Confident	30 Å²	30	62.8 Å²	62.8	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-65.9	-39.7	174.6	176.6	0	0	0	0	110.7	L285 H289 L292 W327 A328 L333 A334 V335	L285-V331 HydrophobicContact CB-CG1 4.41Å; L285-V331 HydrophobicContact CD2-CG1 4.45Å; L285-V331 VanDerWaalsContact O-CG1 3.24Å; L285-V331 WeakPolarHBondContact O-CG1 3.41Å; H289-V331 HydrophobicContact CB-CB 4.24Å; H289-V331 HydrophobicContact CB-CG1 3.88Å; L292-V331 HydrophobicContact CD1-CG2 4.26Å; W327-V331 WeakPolarHBondContact O-CG2 3.5Å; W327-V331 PolarHBondContact O-N 3.46Å; A328-V331 PolarHBondContact O-N 3.02Å; V331-L333 VanDerWaalsContact C-N 3.34Å; V331-L333 PolarHBondContact O-N 3Å; V331-A334 WeakPolarHBondContact O-CB 3.38Å; V331-A334 PolarHBondContact O-N 2.84Å; V331-V335 WeakPolarHBondContact O-CG2 3.39Å; V331-V335 PolarHBondContact O-N 2.79Å
332	F	90.3	Very high	86.5	Confident	50 Å²	50	69.2 Å²	69.2	22%	0.219	37%	0.373	C	S	.	.	H	α-helix	trans	-60.1	-44.2	175.5	-175.7	-117.8	0	0	0	112	H289 A328 D329 A334 V335 L336 V418	H289-F332 AromaticContact CD2-CD2 3.82Å; H289-F332 AromaticContact NE2-CD2 3.74Å; A328-F332 PolarHBondContact O-N 2.83Å; D329-F332 WeakPolarHBondContact O-CB 3.11Å; D329-F332 PolarHBondContact O-N 2.79Å; F332-A334 VanDerWaalsContact C-N 3.3Å; F332-A334 PolarHBondContact O-N 3.29Å; F332-V335 WeakPolarHBondContact O-CB 3.39Å; F332-V335 PolarHBondContact O-N 2.87Å; F332-V335 VanDerWaalsContact O-N 3.14Å; F332-L336 HydrophobicContact CD1-CD1 4.01Å; F332-L336 HydrophobicContact CD1-CG 4.44Å; F332-L336 HydrophobicContact CE1-CD1 3.63Å; F332-L336 HydrophobicContact CE1-CD2 4.49Å; F332-L336 HydrophobicContact CE1-CG 4.14Å; F332-L336 HydrophobicContact CE2-CD2 4.47Å; F332-L336 HydrophobicContact CZ-CD1 4.08Å; F332-L336 HydrophobicContact CZ-CD2 4.1Å; F332-L336 HydrophobicContact CZ-CG 4.17Å; F332-L336 WeakPolarHBondContact O-CG 3.23Å; F332-L336 PolarHBondContact O-N 3.05Å; F332-V418 HydrophobicContact CE2-CG1 4.41Å; F332-V418 HydrophobicContact CZ-CG1 4.35Å
333	L	89.6	Confident	85.2	Confident	101 Å²	101	67.8 Å²	67.8	53%	0.529	37%	0.372	S	S	.	.	H	α-helix	trans	-60.3	-41.7	175.3	-175.6	64.8	0	0	0	111.6	D329 S330 V331 V335 L336 L337	D329-L333 PolarHBondContact O-N 3.12Å; S330-L333 PolarHBondContact O-N 3.23Å; V331-L333 VanDerWaalsContact C-N 3.34Å; V331-L333 PolarHBondContact O-N 3Å; L333-V335 VanDerWaalsContact C-N 3.34Å; L333-V335 PolarHBondContact O-N 2.81Å; L333-L336 PolarHBondContact O-N 2.85Å; L333-L337 HydrophobicContact CG-CD1 4.42Å; L333-L337 WeakPolarHBondContact O-CG 3.46Å; L333-L337 PolarHBondContact O-N 3.35Å
334	A	87.7	Confident	83.7	Confident	38 Å²	38	71.4 Å²	71.4	31%	0.314	38%	0.384	S	S	.	.	H	α-helix	trans	-61.3	-42.2	174.5	0	0	0	0	0	111.9	S330 V331 F332 L336 L337 C338	S330-A334 PolarHBondContact O-N 3.07Å; S330-A334 VanDerWaalsContact O-N 3.09Å; V331-A334 WeakPolarHBondContact O-CB 3.38Å; V331-A334 PolarHBondContact O-N 2.84Å; F332-A334 VanDerWaalsContact C-N 3.3Å; F332-A334 PolarHBondContact O-N 3.29Å; A334-L336 PolarHBondContact O-N 2.86Å; A334-L337 PolarHBondContact O-N 3.24Å; A334-C338 WeakPolarHBondContact O-CB 3.29Å; A334-C338 PolarHBondContact O-N 2.99Å; A334-C338 PolarHBondContact O-SG 3.22Å
335	V	86.2	Confident	81.5	Confident	8 Å²	8	73.9 Å²	73.9	5%	0.048	40%	0.403	C	S	.	.	H	α-helix	trans	-58.7	-47.2	173.9	173.6	0	0	0	0	110.7	L285 Y286 V331 F332 L333 L337 C338 T339	L285-V335 HydrophobicContact CB-CG2 3.56Å; Y286-V335 HydrophobicContact CD2-CG1 4.46Å; V331-V335 WeakPolarHBondContact O-CG2 3.39Å; V331-V335 PolarHBondContact O-N 2.79Å; F332-V335 WeakPolarHBondContact O-CB 3.39Å; F332-V335 PolarHBondContact O-N 2.87Å; F332-V335 VanDerWaalsContact O-N 3.14Å; L333-V335 VanDerWaalsContact C-N 3.34Å; L333-V335 PolarHBondContact O-N 2.81Å; V335-L337 PolarHBondContact O-N 3.47Å; V335-C338 PolarHBondContact O-N 2.03Å; V335-T339 HydrophobicContact CG1-CG2 4.43Å; V335-T339 WeakPolarHBondContact O-CG2 3.35Å; V335-T339 PolarHBondContact O-N 3.45Å; V335-T339 PolarHBondContact O-OG1 3.24Å
336	L	85.6	Confident	79.1	Confident	74 Å²	74	76.8 Å²	76.8	39%	0.387	42%	0.422	S	S	.	.	H	α-helix	trans	-58.6	-47.5	177.8	-69.2	177.7	0	0	0	111.6	F332 L333 A334 C338 T339 C340	F332-L336 HydrophobicContact CD1-CD1 4.01Å; F332-L336 HydrophobicContact CD1-CG 4.44Å; F332-L336 HydrophobicContact CE1-CD1 3.63Å; F332-L336 HydrophobicContact CE1-CD2 4.49Å; F332-L336 HydrophobicContact CE1-CG 4.14Å; F332-L336 HydrophobicContact CE2-CD2 4.47Å; F332-L336 HydrophobicContact CZ-CD1 4.08Å; F332-L336 HydrophobicContact CZ-CD2 4.1Å; F332-L336 HydrophobicContact CZ-CG 4.17Å; F332-L336 WeakPolarHBondContact O-CG 3.23Å; F332-L336 PolarHBondContact O-N 3.05Å; L333-L336 PolarHBondContact O-N 2.85Å; A334-L336 PolarHBondContact O-N 2.86Å; L336-C338 VanDerWaalsContact C-N 3.35Å; L336-C338 PolarHBondContact O-N 3.44Å; L336-T339 WeakPolarHBondContact CA-OG1 3.49Å; L336-T339 PolarHBondContact O-N 3.42Å; L336-T339 VanDerWaalsContact O-N 3.15Å; L336-T339 PolarHBondContact O-OG1 2.87Å; L336-C340 PolarHBondContact O-N 2.92Å; L336-C340 PolarHBondContact O-SG 3.15Å
337	L	85.1	Confident	76.6	Confident	101 Å²	101	79.3 Å²	79.3	53%	0.529	43%	0.434	S	S	.	.	H	α-helix	trans	-60.5	-43.5	177.4	-69.3	172	0	0	0	112	L333 A334 V335 T339 C340 Q341	L333-L337 HydrophobicContact CG-CD1 4.42Å; L333-L337 WeakPolarHBondContact O-CG 3.46Å; L333-L337 PolarHBondContact O-N 3.35Å; A334-L337 PolarHBondContact O-N 3.24Å; V335-L337 PolarHBondContact O-N 3.47Å; L337-T339 VanDerWaalsContact C-N 3.31Å; L337-T339 PolarHBondContact O-N 3.02Å; L337-C340 PolarHBondContact O-N 3.28Å; L337-Q341 PolarHBondContact O-N 3.01Å; L337-Q341 VanDerWaalsContact O-N 3.13Å
338	C	80.1	Confident	73.9	Confident	36 Å²	36	78.2 Å²	78.2	24%	0.243	45%	0.447	C	S	.	.	H	α-helix	trans	-64.4	-34	176.1	-70.4	0	0	0	0	112.6	H282 A334 V335 L336 M342	H282-C338 WeakPolarHBondContact NE2-CB 3.21Å; H282-C338 PolarHBondContact NE2-O 3.37Å; H282-C338 VanDerWaalsContact NE2-O 3.16Å; A334-C338 WeakPolarHBondContact O-CB 3.29Å; A334-C338 PolarHBondContact O-N 2.99Å; A334-C338 PolarHBondContact O-SG 3.22Å; V335-C338 PolarHBondContact O-N 2.03Å; L336-C338 VanDerWaalsContact C-N 3.35Å; L336-C338 PolarHBondContact O-N 3.44Å; C338-M342 WeakPolarHBondContact O-CG 3.34Å; C338-M342 PolarHBondContact O-N 3.41Å
339	T	78.7	Confident	71.1	Confident	15 Å²	15	83.3 Å²	83.3	9%	0.092	48%	0.48	C	S	.	.	H	α-helix	trans	-71.8	-36.6	174.2	55.8	0	0	0	0	112.6	V335 L336 L337 Q341 G343 W411	V335-T339 HydrophobicContact CG1-CG2 4.43Å; V335-T339 WeakPolarHBondContact O-CG2 3.35Å; V335-T339 PolarHBondContact O-N 3.45Å; V335-T339 PolarHBondContact O-OG1 3.24Å; L336-T339 WeakPolarHBondContact CA-OG1 3.49Å; L336-T339 PolarHBondContact O-N 3.42Å; L336-T339 VanDerWaalsContact O-N 3.15Å; L336-T339 PolarHBondContact O-OG1 2.87Å; L337-T339 VanDerWaalsContact C-N 3.31Å; L337-T339 PolarHBondContact O-N 3.02Å; T339-Q341 VanDerWaalsContact C-N 3.33Å; T339-Q341 PolarHBondContact O-N 3.23Å; T339-G343 WeakPolarHBondContact O-CA 3.47Å; T339-G343 PolarHBondContact O-N 2.85Å; T339-W411 HydrophobicContact CG2-CH2 4.23Å; T339-W411 HydrophobicContact CG2-CZ3 4.24Å
340	C	78	Confident	68.2	Low	109 Å²	109	85.1 Å²	85.1	74%	0.736	50%	0.499	S	S	*	.	H	α-helix	trans	-64.3	-37.3	175.8	-69.9	0	0	0	0	112.2	L336 L337	L336-C340 PolarHBondContact O-N 2.92Å; L336-C340 PolarHBondContact O-SG 3.15Å; L337-C340 PolarHBondContact O-N 3.28Å
341	Q	76	Confident	65.3	Low	166 Å²	166	87.6 Å²	87.6	78%	0.776	50%	0.504	S	S	*	.	H	α-helix	trans	-75.5	-41.2	-180	-72.3	-178	-20.6	0	0	113.4	L337 T339	L337-Q341 PolarHBondContact O-N 3.01Å; L337-Q341 VanDerWaalsContact O-N 3.13Å; T339-Q341 VanDerWaalsContact C-N 3.33Å; T339-Q341 PolarHBondContact O-N 3.23Å
342	M	65.9	Low	62.3	Low	137 Å²	137	90.4 Å²	90.4	68%	0.675	53%	0.531	S	S	*	.	H	α-helix	trans	-88.3	-15.5	-174.9	-63.4	-59.9	-145	0	0	113.6	C338	C338-M342 WeakPolarHBondContact O-CG 3.34Å; C338-M342 PolarHBondContact O-N 3.41Å
343	G	62.8	Low	59.4	Low	41 Å²	41	96.5 Å²	96.5	42%	0.423	56%	0.558	S	S	.	*			trans	68	169.5	-166.6	0	0	0	0	0	112.4	T339 S345	T339-G343 WeakPolarHBondContact O-CA 3.47Å; T339-G343 PolarHBondContact O-N 2.85Å; G343-S345 PolarHBondContact O-N 3.48Å; G343-S345 VanDerWaalsContact O-N 3.14Å
344	F	57.6	Low	56.6	Low	127 Å²	127	99.7 Å²	99.7	56%	0.557	57%	0.57	S	S	*	*	S	Bend	trans	-78.9	14.2	-176.8	-69	-78.4	0	0	0	114.6	W411 I415	F344-W411 HydrophobicContact CD1-CE3 4.4Å; F344-I415 HydrophobicContact CD1-CD1 3.81Å; F344-I415 HydrophobicContact CE1-CD1 3.69Å; F344-I415 HydrophobicContact CE1-CG1 4.31Å; F344-I415 HydrophobicContact CZ-CD1 4.39Å
345	S	46.6	Very low	53.7	Low	71 Å²	71	102.4 Å²	102.4	50%	0.497	59%	0.587	S	S	.	*			trans	-100.8	118.7	-174.5	-168.1	0	0	0	0	111.2	G343 Q347	G343-S345 PolarHBondContact O-N 3.48Å; G343-S345 VanDerWaalsContact O-N 3.14Å; S345-Q347 PolarHBondContact O-N 3.07Å
346	P	42.2	Very low	50.9	Low	98 Å²	98	107.6 Å²	107.6	64%	0.636	62%	0.622	S	S	*	*			trans	-79.4	74.5	170	34.4	-30.1	0	0	0	108.1
347	Q	37.7	Very low	48.2	Very low	164 Å²	164	110.4 Å²	110.4	77%	0.766	64%	0.638	S	S	*	*			trans	-113.3	84.4	161.8	-70.4	-176.4	6.5	0	0	107.1	S345 P349	S345-Q347 PolarHBondContact O-N 3.07Å; Q347-P349 WeakPolarHBondContact O-CD 3.07Å
348	C	35.4	Very low	45.7	Very low	122 Å²	122	110.8 Å²	110.8	82%	0.824	66%	0.655	S	S	*	*			trans	-63.3	124.8	151.9	-90.9	0	0	0	0	106.2	S350	C348-S350 PolarHBondContact O-N 2.81Å; C348-S350 VanDerWaalsContact O-N 3.13Å
349	P	34.6	Very low	43.4	Very low	106 Å²	106	113.1 Å²	113.1	69%	0.688	67%	0.672	S	S	*	*			trans	-59.9	121.4	154.2	23	-20.9	0	0	0	105.2	Q347 I351	Q347-P349 WeakPolarHBondContact O-CD 3.07Å; P349-I351 PolarHBondContact O-N 2.79Å
350	S	29.8	Very low	41.2	Very low	115 Å²	115	121.6 Å²	121.6	80%	0.804	71%	0.708	S	S	*	*			trans	-58	89.1	162.8	51.5	0	0	0	0	106.9	C348 A352	C348-S350 PolarHBondContact O-N 2.81Å; C348-S350 VanDerWaalsContact O-N 3.13Å; S350-A352 PolarHBondContact O-N 3.41Å
351	I	31.7	Very low	38.8	Very low	130 Å²	130	121.3 Å²	121.3	67%	0.667	71%	0.713	S	S	*	*			trans	-68.1	99.2	156.5	-59.9	176.3	0	0	0	102.8	P349 F353	P349-I351 PolarHBondContact O-N 2.79Å; I351-F353 HydrophobicContact CG2-CD2 4.05Å; I351-F353 PolarHBondContact O-N 3.38Å
352	A	26.8	Very low	36.6	Very low	90 Å²	90	121.2 Å²	121.2	74%	0.744	72%	0.717	S	S	*	*			trans	-56.2	91.9	161.1	0	0	0	0	0	106.1	S350 Q354	S350-A352 PolarHBondContact O-N 3.41Å; A352-Q354 PolarHBondContact O-N 3.21Å
353	F	30.2	Very low	34.8	Very low	178 Å²	178	120.1 Å²	120.1	78%	0.781	72%	0.721	S	S	*	*			trans	-70	94.3	161.7	-123.3	-87.4	0	0	0	104.8	I351 S355	I351-F353 HydrophobicContact CG2-CD2 4.05Å; I351-F353 PolarHBondContact O-N 3.38Å; F353-S355 PolarHBondContact O-N 3.48Å
354	Q	30.5	Very low	33.1	Very low	168 Å²	168	123.6 Å²	123.6	79%	0.785	74%	0.736	S	S	*	*			trans	-33.3	125	166.1	-162.6	164.1	3.4	0	0	109	A352 C356	A352-Q354 PolarHBondContact O-N 3.21Å; Q354-C356 PolarHBondContact O-N 2.79Å
355	S	27	Very low	31.8	Very low	95 Å²	95	125.3 Å²	125.3	66%	0.664	75%	0.751	S	S	*	*			trans	-32.2	111.8	175.1	50.3	0	0	0	0	111.1	F353 D357	F353-S355 PolarHBondContact O-N 3.48Å; S355-D357 VanDerWaalsContact C-N 3.31Å; S355-D357 PolarHBondContact O-N 3.34Å
356	C	26.8	Very low	31.1	Very low	116 Å²	116	127 Å²	127	78%	0.784	76%	0.758	S	S	*	*			trans	-64.3	103.6	158.9	-75.1	0	0	0	0	106	Q354 A358	Q354-C356 PolarHBondContact O-N 2.79Å; C356-A358 PolarHBondContact O-N 3.37Å
357	D	29.5	Very low	30.6	Very low	134 Å²	134	127.9 Å²	127.9	72%	0.717	77%	0.767	S	S	*	*			trans	-45.9	111.2	163.9	-88.3	-36.7	0	0	0	108.3	S355 S359	S355-D357 VanDerWaalsContact C-N 3.31Å; S355-D357 PolarHBondContact O-N 3.34Å; D357-S359 PolarHBondContact O-N 3.49Å
358	A	31.7	Very low	30.4	Very low	109 Å²	109	129 Å²	129	90%	0.901	77%	0.769	S	S	*	*	S	Bend	trans	-72.2	61.3	170.3	0	0	0	0	0	109.2	C356	C356-A358 PolarHBondContact O-N 3.37Å
359	S	32	Very low	30.5	Very low	85 Å²	85	129.2 Å²	129.2	59%	0.594	77%	0.766	S	S	*	*			trans	-162.5	61.6	174	66.9	0	0	0	0	110.8	D357	D357-S359 PolarHBondContact O-N 3.49Å
360	K	32.1	Very low	30.3	Very low	193 Å²	193	134.5 Å²	134.5	84%	0.839	78%	0.779	S	S	*	*			trans	-162.1	99.2	155.3	-105	158.5	-162.1	-176.8	0	108.8	L362	K360-L362 PolarHBondContact O-N 2.73Å
361	A	28.9	Very low	30.4	Very low	103 Å²	103	133.9 Å²	133.9	85%	0.851	77%	0.774	S	S	*	*			trans	-53.7	122.9	165.5	0	0	0	0	0	109.2
362	L	29.2	Very low	30.6	Very low	164 Å²	164	132.6 Å²	132.6	86%	0.859	78%	0.777	S	S	*	*			trans	-139.8	100	165.9	-127.5	99.3	0	0	0	110.9	K360	K360-L362 PolarHBondContact O-N 2.73Å
363	C	28	Very low	30.7	Very low	113 Å²	113	136.8 Å²	136.8	76%	0.764	79%	0.786	S	S	*	*			trans	26.3	139.7	148	-67	0	0	0	0	122.2	L365	C363-L365 PolarHBondContact O-N 3.43Å
364	P	26.3	Very low	30.9	Very low	114 Å²	114	133.7 Å²	133.7	74%	0.74	78%	0.783	S	S	*	*			trans	-73.5	124.1	174.4	32.6	-30.5	0	0	0	109.5	T366	P364-T366 PolarHBondContact O-N 3Å
365	L	31.2	Very low	31.1	Very low	164 Å²	164	132.6 Å²	132.6	86%	0.859	79%	0.789	S	S	*	*			trans	-79.8	94.3	175.4	-146.7	86	0	0	0	109.6	C363	C363-L365 PolarHBondContact O-N 3.43Å
366	T	31.7	Very low	31.4	Very low	107 Å²	107	131.3 Å²	131.3	66%	0.656	79%	0.79	S	S	*	*			trans	-60	150.5	169.7	50.8	0	0	0	0	112.4	P364 K368	P364-T366 PolarHBondContact O-N 3Å; T366-K368 PolarHBondContact O-N 2.65Å; T366-K368 VanDerWaalsContact O-N 3.14Å
367	S	31	Very low	31.7	Very low	116 Å²	116	135.7 Å²	135.7	81%	0.811	80%	0.796	S	S	*	*	S	Bend	trans	-33	105	169.2	57.8	0	0	0	0	114.9
368	K	33.8	Very low	31.8	Very low	187 Å²	187	138.8 Å²	138.8	81%	0.813	80%	0.803	S	S	*	*			trans	-164.8	12.8	158.9	-112.2	167.3	-170.8	-176	0	116.3	T366	T366-K368 PolarHBondContact O-N 2.65Å; T366-K368 VanDerWaalsContact O-N 3.14Å
369	V	36.9	Very low	31.8	Very low	126 Å²	126	142.3 Å²	142.3	76%	0.764	80%	0.801	S	S	*	*			trans	-98	5.1	-178.5	-173.6	0	0	0	0	113	S371	V369-S371 VanDerWaalsContact C-N 3.34Å; V369-S371 PolarHBondContact O-N 3.42Å
370	F	32.2	Very low	31.8	Very low	218 Å²	218	145.6 Å²	145.6	96%	0.956	81%	0.811	S	S	*	*	S	Bend	trans	-90.1	19.3	179.8	-116.5	-82.8	0	0	0	115
371	S	30.9	Very low	31.6	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	81%	0.809	S	S	*	*			trans	-138	62.6	-176.7	64.6	0	0	0	0	112.8	V369	V369-S371 VanDerWaalsContact C-N 3.34Å; V369-S371 PolarHBondContact O-N 3.42Å
372	S	34.9	Very low	31.7	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	81%	0.808	S	S	*	*			trans	-163.5	83.2	155.8	59.3	0	0	0	0	109.3
373	L	30.3	Very low	31.8	Very low	178 Å²	178	146.4 Å²	146.4	93%	0.932	81%	0.811	S	S	*	*			trans	-101	111.9	171	-154.9	92	0	0	0	107.5
374	P	33.9	Very low	32	Very low	112 Å²	112	145.9 Å²	145.9	73%	0.727	81%	0.809	S	S	*	*			trans	-104	127.9	159.1	8.9	11	0	0	0	110.2	G376	P374-G376 PolarHBondContact O-N 3.33Å
375	T	35	Very low	32.2	Very low	146 Å²	146	148.5 Å²	148.5	90%	0.896	81%	0.811	S	S	*	*			trans	-38	113.9	165.2	46.4	0	0	0	0	113.7
376	G	33.1	Very low	32.2	Very low	67 Å²	67	149.9 Å²	149.9	69%	0.691	81%	0.809	S	S	*	*			trans	-170.8	23.6	176.4	0	0	0	0	0	115.2	P374 F378	P374-G376 PolarHBondContact O-N 3.33Å; G376-F378 PolarHBondContact O-N 3.24Å
377	F	33	Very low	32.2	Very low	208 Å²	208	152 Å²	152	91%	0.912	82%	0.816	S	S	*	*			trans	-97	50.7	-176.6	-109.7	-85.9	0	0	0	112.3
378	F	31.7	Very low	32.3	Very low	199 Å²	199	157.3 Å²	157.3	87%	0.873	82%	0.82	S	S	*	*	S	Bend	trans	-148.8	114.3	163.8	-83.4	-79.2	0	0	0	107.1	G376	G376-F378 PolarHBondContact O-N 3.24Å
379	H	30.7	Very low	32.2	Very low	183 Å²	183	153.4 Å²	153.4	85%	0.847	82%	0.816	S	S	*	*			trans	109.1	92.8	-177.7	-75.4	-83.8	0	0	0	114.5
380	L	32.9	Very low	31.9	Very low	155 Å²	155	157 Å²	157	81%	0.812	82%	0.817	S	S	*	*			trans	-159.7	65.5	141.1	-118.1	127.2	0	0	0	111.8	K382	L380-K382 PolarHBondContact O-N 2.97Å
381	G	28.8	Very low	32	Very low	77 Å²	77	152.9 Å²	152.9	79%	0.794	81%	0.805	S	S	*	*			trans	-79.4	97.8	147.8	0	0	0	0	0	108.1
382	K	30.5	Very low	32.2	Very low	189 Å²	189	153 Å²	153	82%	0.822	80%	0.804	S	S	*	*			trans	170.4	84	159.5	-100.4	175.6	-178.2	-178.4	0	108.2	L380 S384	L380-K382 PolarHBondContact O-N 2.97Å; K382-S384 PolarHBondContact O-N 3.42Å
383	F	31.3	Very low	32.3	Very low	210 Å²	210	155 Å²	155	92%	0.921	81%	0.805	S	S	*	*			trans	-82.6	102.3	161.6	-109.3	-88.4	0	0	0	108
384	S	32.4	Very low	32.3	Very low	103 Å²	103	157.7 Å²	157.7	72%	0.72	80%	0.802	S	S	*	*			trans	-71.2	125.1	171	176.9	0	0	0	0	109.2	K382 K386	K382-S384 PolarHBondContact O-N 3.42Å; S384-K386 PolarHBondContact O-N 3.08Å; S384-K386 VanDerWaalsContact O-N 3.11Å
385	H	30.4	Very low	32.5	Very low	169 Å²	169	160 Å²	160	78%	0.782	80%	0.804	S	S	*	*			trans	-62.8	102.5	169.2	-117.4	-94.8	0	0	0	109.2
386	K	31.6	Very low	32.3	Very low	192 Å²	192	160.3 Å²	160.3	84%	0.835	80%	0.8	S	S	*	*			trans	-94.8	92.6	160.8	-108.7	-178.4	177.1	-179.3	0	108	S384 Y388	S384-K386 PolarHBondContact O-N 3.08Å; S384-K386 VanDerWaalsContact O-N 3.11Å; K386-Y388 PolarHBondContact O-N 3.23Å
387	L	30.4	Very low	32.6	Very low	153 Å²	153	164.3 Å²	164.3	80%	0.801	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-59.9	119.3	162.7	-86.4	144	0	0	0	108.1	S389	L387-S389 PolarHBondContact O-N 2.95Å
388	Y	33.7	Very low	32.4	Very low	227 Å²	227	165.5 Å²	165.5	89%	0.89	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.5	121.9	169.2	-90.9	-93.8	0	0	0	109	K386	K386-Y388 PolarHBondContact O-N 3.23Å
389	S	30.7	Very low	32.5	Very low	104 Å²	104	160.5 Å²	160.5	73%	0.727	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69	131.9	170.5	-175.8	0	0	0	0	109.8	L387	L387-S389 PolarHBondContact O-N 2.95Å
390	Y	32.6	Very low	32.6	Very low	201 Å²	201	161 Å²	161	79%	0.788	80%	0.799	S	S	*	*			trans	-96.5	112.7	175.1	-177.5	-91.2	0	0	0	108.9	P392	Y390-P392 HydrophobicContact CE1-CB 4.25Å
391	D	34	Very low	32.4	Very low	133 Å²	133	159.9 Å²	159.9	71%	0.711	80%	0.801	S	S	*	*			trans	-98.9	127.8	167.9	-87.4	-39.9	0	0	0	109.5	I393	D391-I393 PolarHBondContact O-N 2.82Å
392	P	34.4	Very low	32.5	Very low	103 Å²	103	161.1 Å²	161.1	67%	0.669	80%	0.797	S	S	*	*			trans	-84.4	109.6	177.9	31.9	-28.5	0	0	0	110.1	Y390 R394	Y390-P392 HydrophobicContact CE1-CB 4.25Å; P392-R394 PolarHBondContact O-N 3.1Å
393	I	37	Very low	32.6	Very low	146 Å²	146	158.1 Å²	158.1	75%	0.749	80%	0.795	S	S	*	*			trans	-77.5	118.1	168.6	-63.3	174.9	0	0	0	108.7	D391 E395	D391-I393 PolarHBondContact O-N 2.82Å; I393-E395 HydrophobicContact CG2-CG 4.19Å
394	R	30.5	Very low	32.4	Very low	234 Å²	234	156.7 Å²	156.7	88%	0.883	80%	0.797	S	S	*	*			trans	-81	104.7	172.8	177.9	-168.4	-98.2	-156.6	-4.7	108.7	P392	P392-R394 PolarHBondContact O-N 3.1Å
395	E	38.6	Very low	32.3	Very low	162 Å²	162	160.3 Å²	160.3	76%	0.757	80%	0.803	S	S	*	*			trans	-127.4	113.7	164.9	-80.6	-171.7	170.4	0	0	111.3	I393	I393-E395 HydrophobicContact CG2-CG 4.19Å
396	N	29.5	Very low	32.2	Very low	151 Å²	151	161.7 Å²	161.7	81%	0.807	81%	0.806	S	S	*	*			trans	-73.6	122.3	161.9	-76.7	-31.6	0	0	0	108
397	I	39.2	Very low	32.4	Very low	152 Å²	152	157.9 Å²	157.9	78%	0.779	80%	0.804	S	S	*	*			trans	-155.2	122.3	148	-86.2	125.4	0	0	0	108.6
398	Y	30.4	Very low	33.1	Very low	232 Å²	232	156.3 Å²	156.3	91%	0.91	80%	0.801	S	S	*	*			trans	-66.7	129	168.3	-84	-102.9	0	0	0	110.8
399	A	33.3	Very low	34.1	Very low	94 Å²	94	148.6 Å²	148.6	78%	0.777	78%	0.78	S	S	*	*			trans	-169.1	104.1	147.6	0	0	0	0	0	113.9
400	K	31.9	Very low	35.6	Very low	195 Å²	195	145.5 Å²	145.5	85%	0.848	75%	0.754	S	S	*	*			trans	64.4	122.5	140.1	-131.8	172.3	-173	177.5	0	120.5	S402	K400-S402 PolarHBondContact O-N 3.1Å
401	P	28.7	Very low	37.2	Very low	130 Å²	130	138.7 Å²	138.7	84%	0.844	73%	0.727	S	S	*	*			trans	-80.1	122.1	172.3	33.2	-28.3	0	0	0	109
402	S	30.8	Very low	39	Very low	103 Å²	103	136 Å²	136	72%	0.72	72%	0.717	S	S	*	*			trans	-121.2	115.8	166.4	64.5	0	0	0	0	109.9	K400	K400-S402 PolarHBondContact O-N 3.1Å
403	T	32.9	Very low	40.6	Very low	127 Å²	127	135.9 Å²	135.9	78%	0.779	70%	0.704	S	S	*	*			trans	56.1	106.9	150.4	52.1	0	0	0	0	118.4	Q405	T403-Q405 PolarHBondContact O-N 2.04Å
404	N	27.8	Very low	42	Very low	180 Å²	180	129.3 Å²	129.3	96%	0.963	67%	0.67	S	S	*	*			trans	-41.6	93.3	156.8	-83.4	-39.7	0	0	0	112.2
405	Q	29.3	Very low	44	Very low	179 Å²	179	121.4 Å²	121.4	84%	0.836	64%	0.644	S	S	*	*			trans	-97.9	99.2	160.6	-156.2	169.5	8.9	0	0	106.7	T403 S407	T403-Q405 PolarHBondContact O-N 2.04Å; Q405-S407 PolarHBondContact O-N 2.81Å
406	K	30	Very low	45.8	Very low	197 Å²	197	119 Å²	119	86%	0.857	64%	0.636	S	S	*	*			trans	-63.1	84.9	172.7	-119	178.4	-178.8	177.6	0	107.8	T408	K406-T408 PolarHBondContact O-N 3.16Å
407	S	34.6	Very low	47.8	Very low	113 Å²	113	113.5 Å²	113.5	79%	0.79	61%	0.606	S	S	*	*			trans	-71	86.7	168.5	-174.2	0	0	0	0	107	Q405 S409	Q405-S407 PolarHBondContact O-N 2.81Å; S407-S409 PolarHBondContact O-N 3.01Å
408	T	44.5	Very low	49.4	Very low	119 Å²	119	107.7 Å²	107.7	73%	0.73	58%	0.578	S	S	*	*			trans	-61.8	106.4	171.5	49.1	0	0	0	0	107.1	K406 F410	K406-T408 PolarHBondContact O-N 3.16Å; T408-F410 PolarHBondContact O-N 2.92Å; T408-F410 VanDerWaalsContact O-N 3.12Å
409	S	56.5	Low	51.6	Low	66 Å²	66	100.4 Å²	100.4	46%	0.462	56%	0.558	S	S	.	*			trans	-45.2	121.1	177.2	175	0	0	0	0	109.7	S407 P412	S407-S409 PolarHBondContact O-N 3.01Å; S409-P412 WeakPolarHBondContact O-CD 2.98Å; S409-P412 WeakPolarHBondContact OG-CD 3.49Å
410	F	60.9	Low	53.7	Low	39 Å²	39	100.7 Å²	100.7	17%	0.171	55%	0.545	C	S	.	.	S	Bend	trans	-71.2	-32.7	-174.3	163.6	-88.9	0	0	0	112.3	K274 L275 T408 Y413 M414	K274-F410 HydrophobicContact CB-CE2 4Å; K274-F410 HydrophobicContact CD-CD2 3.74Å; K274-F410 HydrophobicContact CD-CE2 3.44Å; K274-F410 VanDerWaalsContact CD-CE2 3.44Å; K274-F410 VanDerWaalsContact CE-CD2 3.48Å; K274-F410 HydrophobicContact CG-CD2 3.89Å; K274-F410 HydrophobicContact CG-CE2 3.53Å; L275-F410 HydrophobicContact CD1-CE1 4.22Å; L275-F410 HydrophobicContact CD1-CZ 3.67Å; L275-F410 HydrophobicContact CD2-CD1 4.17Å; L275-F410 HydrophobicContact CD2-CD2 4.38Å; L275-F410 HydrophobicContact CD2-CE1 3.32Å; L275-F410 HydrophobicContact CD2-CE2 3.59Å; L275-F410 HydrophobicContact CD2-CZ 3.02Å; L275-F410 HydrophobicContact CG-CE1 4.03Å; L275-F410 HydrophobicContact CG-CE2 3.85Å; L275-F410 HydrophobicContact CG-CZ 3.29Å; T408-F410 PolarHBondContact O-N 2.92Å; T408-F410 VanDerWaalsContact O-N 3.12Å; F410-Y413 PolarHBondContact O-N 2.68Å; F410-M414 HydrophobicContact CD1-CG 3.94Å; F410-M414 HydrophobicContact CE1-CB 4.17Å; F410-M414 HydrophobicContact CE1-CG 3.13Å; F410-M414 HydrophobicContact CE1-SD 4.25Å; F410-M414 HydrophobicContact CE2-CG 3.82Å; F410-M414 HydrophobicContact CE2-SD 4.03Å; F410-M414 HydrophobicContact CZ-CB 4.39Å; F410-M414 HydrophobicContact CZ-CE 4.29Å; F410-M414 HydrophobicContact CZ-CG 3Å; F410-M414 HydrophobicContact CZ-SD 3.51Å; F410-M414 VanDerWaalsContact CZ-SD 3.51Å; F410-M414 PolarHBondContact O-N 2.84Å
411	W	66.3	Low	55.6	Low	57 Å²	57	92.6 Å²	92.6	22%	0.216	51%	0.511	C	S	.	.	H	α-helix	trans	-62.5	-43	-172.9	-74.1	100.4	0	0	0	114.6	T339 F344 Y413 M414 I415	T339-W411 HydrophobicContact CG2-CH2 4.23Å; T339-W411 HydrophobicContact CG2-CZ3 4.24Å; F344-W411 HydrophobicContact CD1-CE3 4.4Å; W411-Y413 VanDerWaalsContact C-N 3.26Å; W411-Y413 PolarHBondContact O-N 2.76Å; W411-M414 PolarHBondContact O-N 3.19Å; W411-M414 VanDerWaalsContact O-N 3.13Å; W411-I415 HydrophobicContact CB-CD1 4.44Å; W411-I415 WeakPolarHBondContact O-CB 3.3Å; W411-I415 VanDerWaalsContact O-CG1 3.24Å; W411-I415 WeakPolarHBondContact O-CG1 3.49Å; W411-I415 PolarHBondContact O-N 3.17Å
412	P	72.1	Confident	57.8	Low	77 Å²	77	89.8 Å²	89.8	50%	0.5	49%	0.492	S	S	.	.	H	α-helix	trans	-51.8	-41.2	174	-29.7	32.5	0	0	0	114.1	S409 L416	S409-P412 WeakPolarHBondContact O-CD 2.98Å; S409-P412 WeakPolarHBondContact OG-CD 3.49Å; P412-L416 WeakPolarHBondContact O-CB 3.4Å; P412-L416 PolarHBondContact O-N 3.26Å
413	Y	68.3	Low	60	Low	101 Å²	101	86.2 Å²	86.2	40%	0.396	47%	0.471	S	S	.	.	H	α-helix	trans	-68.4	-42.8	178.5	177.5	-94.8	0	0	0	112	T270 K274 F410 W411 L416 L417	T270-Y413 HydrophobicContact CG2-CE1 4.33Å; K274-Y413 HydrophobicContact CD-CD1 4.41Å; F410-Y413 PolarHBondContact O-N 2.68Å; W411-Y413 VanDerWaalsContact C-N 3.26Å; W411-Y413 PolarHBondContact O-N 2.76Å; Y413-L416 PolarHBondContact O-N 3.38Å; Y413-L417 HydrophobicContact CE1-CD2 4.21Å; Y413-L417 WeakPolarHBondContact O-CB 3.34Å; Y413-L417 PolarHBondContact O-N 2.88Å
414	M	65.6	Low	62.1	Low	8 Å²	8	82.7 Å²	82.7	4%	0.039	45%	0.45	C	S	.	.	H	α-helix	trans	-70.7	-38.1	178.9	-67.8	-51.2	-69.5	0	0	112.8	A271 L275 Y286 F410 W411 L416 L417 V418	A271-M414 HydrophobicContact CB-CE 3.83Å; L275-M414 HydrophobicContact CD1-CE 4.39Å; Y286-M414 HydrophobicContact CD1-CE 4.41Å; Y286-M414 HydrophobicContact CE1-CE 3.34Å; Y286-M414 WeakPolarHBondContact OH-CE 3.4Å; F410-M414 HydrophobicContact CD1-CG 3.94Å; F410-M414 HydrophobicContact CE1-CB 4.17Å; F410-M414 HydrophobicContact CE1-CG 3.13Å; F410-M414 HydrophobicContact CE1-SD 4.25Å; F410-M414 HydrophobicContact CE2-CG 3.82Å; F410-M414 HydrophobicContact CE2-SD 4.03Å; F410-M414 HydrophobicContact CZ-CB 4.39Å; F410-M414 HydrophobicContact CZ-CE 4.29Å; F410-M414 HydrophobicContact CZ-CG 3Å; F410-M414 HydrophobicContact CZ-SD 3.51Å; F410-M414 VanDerWaalsContact CZ-SD 3.51Å; F410-M414 PolarHBondContact O-N 2.84Å; W411-M414 PolarHBondContact O-N 3.19Å; W411-M414 VanDerWaalsContact O-N 3.13Å; M414-L416 VanDerWaalsContact C-N 3.32Å; M414-L417 PolarHBondContact O-N 2.92Å; M414-V418 WeakPolarHBondContact O-CB 3.46Å; M414-V418 VanDerWaalsContact O-CG2 3.3Å; M414-V418 WeakPolarHBondContact O-CG2 2.92Å; M414-V418 PolarHBondContact O-N 3.06Å
415	I	73.3	Confident	64.3	Low	68 Å²	68	76.5 Å²	76.5	35%	0.349	41%	0.414	S	S	.	.	H	α-helix	trans	-59.2	-50.1	173.4	-68	165.2	0	0	0	108.4	F344 W411 L417 V418 T419	F344-I415 HydrophobicContact CD1-CD1 3.81Å; F344-I415 HydrophobicContact CE1-CD1 3.69Å; F344-I415 HydrophobicContact CE1-CG1 4.31Å; F344-I415 HydrophobicContact CZ-CD1 4.39Å; W411-I415 HydrophobicContact CB-CD1 4.44Å; W411-I415 WeakPolarHBondContact O-CB 3.3Å; W411-I415 VanDerWaalsContact O-CG1 3.24Å; W411-I415 WeakPolarHBondContact O-CG1 3.49Å; W411-I415 PolarHBondContact O-N 3.17Å; I415-L417 VanDerWaalsContact C-N 3.3Å; I415-L417 PolarHBondContact O-N 3.05Å; I415-V418 PolarHBondContact O-N 3.38Å; I415-T419 HydrophobicContact CG2-CG2 4.16Å; I415-T419 WeakPolarHBondContact O-CB 3.26Å; I415-T419 VanDerWaalsContact O-CG2 3.28Å; I415-T419 WeakPolarHBondContact O-CG2 3.4Å; I415-T419 PolarHBondContact O-N 3.15Å; I415-T419 PolarHBondContact O-OG1 3.03Å
416	L	76.5	Confident	66.7	Low	112 Å²	112	71.3 Å²	71.3	59%	0.586	39%	0.394	S	S	*	.	H	α-helix	trans	-55.8	-45.1	177.3	-178.2	66.3	0	0	0	112.1	P412 Y413 M414 T419 L420	P412-L416 WeakPolarHBondContact O-CB 3.4Å; P412-L416 PolarHBondContact O-N 3.26Å; Y413-L416 PolarHBondContact O-N 3.38Å; M414-L416 VanDerWaalsContact C-N 3.32Å; L416-T419 WeakPolarHBondContact CA-OG1 3.15Å; L416-T419 PolarHBondContact O-OG1 2.96Å; L416-L420 WeakPolarHBondContact O-CB 3.35Å; L416-L420 PolarHBondContact O-N 3.13Å
417	L	70.7	Confident	69	Low	35 Å²	35	67.4 Å²	67.4	18%	0.183	38%	0.382	C	S	.	.	H	α-helix	trans	-68.6	-42.6	-178.2	-169.5	65.2	0	0	0	112.2	L267 Y413 M414 I415 L420 L421	L267-L417 HydrophobicContact CD1-CD2 3.16Å; L267-L417 HydrophobicContact CD1-CG 3.6Å; Y413-L417 HydrophobicContact CE1-CD2 4.21Å; Y413-L417 WeakPolarHBondContact O-CB 3.34Å; Y413-L417 PolarHBondContact O-N 2.88Å; M414-L417 PolarHBondContact O-N 2.92Å; I415-L417 VanDerWaalsContact C-N 3.3Å; I415-L417 PolarHBondContact O-N 3.05Å; L417-L420 PolarHBondContact O-N 3.23Å; L417-L421 HydrophobicContact CD1-CD1 4.36Å; L417-L421 HydrophobicContact CG-CD1 4.12Å; L417-L421 WeakPolarHBondContact O-CB 2.99Å; L417-L421 WeakPolarHBondContact O-CD1 2.91Å; L417-L421 VanDerWaalsContact O-CG 3.32Å; L417-L421 WeakPolarHBondContact O-CG 3.39Å; L417-L421 PolarHBondContact O-N 3.35Å
418	V	72.7	Confident	71	Confident	29 Å²	29	63.7 Å²	63.7	18%	0.176	35%	0.353	C	S	.	.	H	α-helix	trans	-66.4	-44.1	175.3	171.7	0	0	0	0	110.8	Y286 F332 M414 I415 L420 L421 V422	Y286-V418 HydrophobicContact CE2-CG2 3.91Å; Y286-V418 WeakPolarHBondContact OH-CG2 3.25Å; F332-V418 HydrophobicContact CE2-CG1 4.41Å; F332-V418 HydrophobicContact CZ-CG1 4.35Å; M414-V418 WeakPolarHBondContact O-CB 3.46Å; M414-V418 VanDerWaalsContact O-CG2 3.3Å; M414-V418 WeakPolarHBondContact O-CG2 2.92Å; M414-V418 PolarHBondContact O-N 3.06Å; I415-V418 PolarHBondContact O-N 3.38Å; V418-L420 VanDerWaalsContact C-N 3.28Å; V418-L420 PolarHBondContact O-N 3.16Å; V418-L421 PolarHBondContact O-N 3.47Å; V418-V422 HydrophobicContact CG1-CG2 4.04Å; V418-V422 WeakPolarHBondContact O-CB 3.34Å; V418-V422 VanDerWaalsContact O-CG2 3.31Å; V418-V422 WeakPolarHBondContact O-CG2 3.39Å; V418-V422 PolarHBondContact O-N 3.02Å
419	T	77.4	Confident	72.4	Confident	80 Å²	80	62.8 Å²	62.8	49%	0.491	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-36.6	177	53	0	0	0	0	111.5	I415 L416 G423	I415-T419 HydrophobicContact CG2-CG2 4.16Å; I415-T419 WeakPolarHBondContact O-CB 3.26Å; I415-T419 VanDerWaalsContact O-CG2 3.28Å; I415-T419 WeakPolarHBondContact O-CG2 3.4Å; I415-T419 PolarHBondContact O-N 3.15Å; I415-T419 PolarHBondContact O-OG1 3.03Å; L416-T419 WeakPolarHBondContact CA-OG1 3.15Å; L416-T419 PolarHBondContact O-OG1 2.96Å; T419-G423 VanDerWaalsContact O-CA 3.32Å; T419-G423 WeakPolarHBondContact O-CA 3.34Å; T419-G423 PolarHBondContact O-N 3.49Å
420	L	78	Confident	73.4	Confident	99 Å²	99	63.9 Å²	63.9	52%	0.518	34%	0.337	S	S	.	.	H	α-helix	trans	-66.2	-43.6	175.2	-175.4	130.6	0	0	0	110.7	L416 L417 V418 G423 V424	L416-L420 WeakPolarHBondContact O-CB 3.35Å; L416-L420 PolarHBondContact O-N 3.13Å; L417-L420 PolarHBondContact O-N 3.23Å; V418-L420 VanDerWaalsContact C-N 3.28Å; V418-L420 PolarHBondContact O-N 3.16Å; L420-G423 PolarHBondContact O-N 3.4Å; L420-V424 WeakPolarHBondContact O-CB 3.38Å; L420-V424 WeakPolarHBondContact O-CG2 3.42Å; L420-V424 PolarHBondContact O-N 3.33Å
421	L	71.5	Confident	74.1	Confident	25 Å²	25	69.9 Å²	69.9	13%	0.131	36%	0.359	C	S	.	.	H	α-helix	trans	-73.7	-43.6	-178.4	-74.2	165.7	0	0	0	113.3	L263 L267 L417 V418 G423 V424 K425	L263-L421 HydrophobicContact CB-CD2 3.77Å; L263-L421 HydrophobicContact CD1-CD2 4.24Å; L263-L421 HydrophobicContact CD2-CD2 4.12Å; L263-L421 HydrophobicContact CG-CD2 4.27Å; L267-L421 HydrophobicContact CB-CD1 3.59Å; L267-L421 HydrophobicContact CD1-CD1 3.68Å; L267-L421 HydrophobicContact CD2-CD1 3.35Å; L267-L421 HydrophobicContact CG-CD1 3.69Å; L417-L421 HydrophobicContact CD1-CD1 4.36Å; L417-L421 HydrophobicContact CG-CD1 4.12Å; L417-L421 WeakPolarHBondContact O-CB 2.99Å; L417-L421 WeakPolarHBondContact O-CD1 2.91Å; L417-L421 VanDerWaalsContact O-CG 3.32Å; L417-L421 WeakPolarHBondContact O-CG 3.39Å; L417-L421 PolarHBondContact O-N 3.35Å; V418-L421 PolarHBondContact O-N 3.47Å; L421-G423 VanDerWaalsContact C-N 3.27Å; L421-G423 PolarHBondContact O-N 3.38Å; L421-V424 PolarHBondContact O-N 3.15Å; L421-K425 VanDerWaalsContact O-CB 3.24Å; L421-K425 WeakPolarHBondContact O-CB 3.2Å; L421-K425 PolarHBondContact O-N 2.88Å
422	V	75.2	Confident	74.2	Confident	72 Å²	72	68.4 Å²	68.4	44%	0.436	36%	0.358	S	S	.	.	H	α-helix	trans	-63.6	-39	171.7	174.9	0	0	0	0	109.8	V418 T426	V418-V422 HydrophobicContact CG1-CG2 4.04Å; V418-V422 WeakPolarHBondContact O-CB 3.34Å; V418-V422 VanDerWaalsContact O-CG2 3.31Å; V418-V422 WeakPolarHBondContact O-CG2 3.39Å; V418-V422 PolarHBondContact O-N 3.02Å; V422-T426 VanDerWaalsContact O-CB 3.24Å; V422-T426 WeakPolarHBondContact O-CB 3.4Å; V422-T426 PolarHBondContact O-N 3Å; V422-T426 PolarHBondContact O-OG1 3.31Å
423	G	76.4	Confident	74.1	Confident	28 Å²	28	70.7 Å²	70.7	29%	0.289	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-52.2	174.6	0	0	0	0	0	112.3	T419 L420 L421 T426 L427	T419-G423 VanDerWaalsContact O-CA 3.32Å; T419-G423 WeakPolarHBondContact O-CA 3.34Å; T419-G423 PolarHBondContact O-N 3.49Å; L420-G423 PolarHBondContact O-N 3.4Å; L421-G423 VanDerWaalsContact C-N 3.27Å; L421-G423 PolarHBondContact O-N 3.38Å; G423-T426 PolarHBondContact O-N 2.89Å; G423-L427 WeakPolarHBondContact O-CB 3.24Å; G423-L427 VanDerWaalsContact O-CG 3.26Å; G423-L427 WeakPolarHBondContact O-CG 3.41Å; G423-L427 PolarHBondContact O-N 2.83Å
424	V	77.6	Confident	74.1	Confident	53 Å²	53	69.3 Å²	69.3	32%	0.321	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-44.5	177.5	170.2	0	0	0	0	111.2	L263 L420 L421 T426 L427 L428	L263-V424 HydrophobicContact CD1-CG1 3.92Å; L420-V424 WeakPolarHBondContact O-CB 3.38Å; L420-V424 WeakPolarHBondContact O-CG2 3.42Å; L420-V424 PolarHBondContact O-N 3.33Å; L421-V424 PolarHBondContact O-N 3.15Å; V424-T426 VanDerWaalsContact C-N 3.34Å; V424-T426 PolarHBondContact O-N 3.05Å; V424-L427 PolarHBondContact O-N 3.24Å; V424-L428 HydrophobicContact CG1-CD1 3.87Å; V424-L428 HydrophobicContact CG1-CG 4.43Å; V424-L428 WeakPolarHBondContact O-CB 3.47Å; V424-L428 WeakPolarHBondContact O-CG 3.37Å; V424-L428 PolarHBondContact O-N 3.4Å
425	K	74.1	Confident	73.9	Confident	50 Å²	50	70.8 Å²	70.8	22%	0.217	38%	0.377	C	S	.	.	H	α-helix	trans	-58.3	-47.4	175.7	-178.8	177.8	177.3	178.9	0	111.1	F260 Y264 L421 L428 Y429	F260-K425 HydrophobicContact CE1-CB 4.23Å; F260-K425 HydrophobicContact CE1-CG 4.06Å; F260-K425 HydrophobicContact CZ-CG 4.12Å; Y264-K425 PolarHBondContact OH-NZ 3.07Å; L421-K425 VanDerWaalsContact O-CB 3.24Å; L421-K425 WeakPolarHBondContact O-CB 3.2Å; L421-K425 PolarHBondContact O-N 2.88Å; K425-L428 PolarHBondContact O-N 3.4Å; K425-Y429 HydrophobicContact CD-CE2 4.22Å; K425-Y429 HydrophobicContact CG-CD2 3.87Å; K425-Y429 HydrophobicContact CG-CE2 3.6Å; K425-Y429 WeakPolarHBondContact O-CD2 3.24Å; K425-Y429 PolarHBondContact O-N 3.34Å
426	T	78.1	Confident	73.2	Confident	69 Å²	69	71.1 Å²	71.1	42%	0.423	38%	0.376	S	S	.	.	H	α-helix	trans	-65.4	-43	178.9	-53.9	0	0	0	0	111.2	V422 G423 V424 L428 Y429 I430	V422-T426 VanDerWaalsContact O-CB 3.24Å; V422-T426 WeakPolarHBondContact O-CB 3.4Å; V422-T426 PolarHBondContact O-N 3Å; V422-T426 PolarHBondContact O-OG1 3.31Å; G423-T426 PolarHBondContact O-N 2.89Å; V424-T426 VanDerWaalsContact C-N 3.34Å; V424-T426 PolarHBondContact O-N 3.05Å; T426-L428 VanDerWaalsContact C-N 3.33Å; T426-L428 PolarHBondContact O-N 2.92Å; T426-Y429 PolarHBondContact O-N 2.94Å; T426-I430 HydrophobicContact CG2-CD1 3.85Å; T426-I430 HydrophobicContact CG2-CG1 4.35Å; T426-I430 WeakPolarHBondContact O-CB 3.29Å; T426-I430 VanDerWaalsContact O-CG1 3.24Å; T426-I430 WeakPolarHBondContact O-CG1 3.44Å; T426-I430 PolarHBondContact O-N 2.89Å
427	L	80	Confident	72.2	Confident	115 Å²	115	70.9 Å²	70.9	60%	0.602	37%	0.371	S	S	*	.	H	α-helix	trans	-62.1	-39.1	175.7	-75.8	170.5	0	0	0	112	G423 V424 I430 W431	G423-L427 WeakPolarHBondContact O-CB 3.24Å; G423-L427 VanDerWaalsContact O-CG 3.26Å; G423-L427 WeakPolarHBondContact O-CG 3.41Å; G423-L427 PolarHBondContact O-N 2.83Å; V424-L427 PolarHBondContact O-N 3.24Å; L427-I430 PolarHBondContact O-N 3.16Å; L427-W431 VanDerWaalsContact O-CB 3.23Å; L427-W431 WeakPolarHBondContact O-CB 3.11Å; L427-W431 PolarHBondContact O-N 3.06Å
428	L	75.2	Confident	71.6	Confident	35 Å²	35	72.7 Å²	72.7	18%	0.183	38%	0.383	C	S	.	.	H	α-helix	trans	-67.3	-41.4	175.6	-75.3	169.1	0	0	0	111.8	I259 F260 V424 K425 T426 W431 A432	I259-L428 HydrophobicContact CG2-CD1 4.24Å; F260-L428 HydrophobicContact CD1-CD1 4.23Å; F260-L428 HydrophobicContact CE1-CB 4.05Å; F260-L428 HydrophobicContact CE1-CD1 3.5Å; F260-L428 HydrophobicContact CE1-CG 4.42Å; F260-L428 HydrophobicContact CZ-CB 4.09Å; F260-L428 HydrophobicContact CZ-CD1 4.29Å; V424-L428 HydrophobicContact CG1-CD1 3.87Å; V424-L428 HydrophobicContact CG1-CG 4.43Å; V424-L428 WeakPolarHBondContact O-CB 3.47Å; V424-L428 WeakPolarHBondContact O-CG 3.37Å; V424-L428 PolarHBondContact O-N 3.4Å; K425-L428 PolarHBondContact O-N 3.4Å; T426-L428 VanDerWaalsContact C-N 3.33Å; T426-L428 PolarHBondContact O-N 2.92Å; L428-W431 HydrophobicContact CD2-CE3 4.33Å; L428-W431 PolarHBondContact O-N 3.08Å; L428-A432 WeakPolarHBondContact O-CB 3.4Å; L428-A432 PolarHBondContact O-N 3.33Å
429	Y	74.2	Confident	70.7	Confident	101 Å²	101	77.4 Å²	77.4	40%	0.396	40%	0.401	S	S	.	.	H	α-helix	trans	-64.4	-42.9	172.2	-80.5	-64.2	0	0	0	112.5	F260 K425 T426 W431 A432 M433	F260-Y429 HydrophobicContact CE2-CE2 4.15Å; F260-Y429 HydrophobicContact CZ-CD2 4.48Å; F260-Y429 HydrophobicContact CZ-CE2 4.09Å; K425-Y429 HydrophobicContact CD-CE2 4.22Å; K425-Y429 HydrophobicContact CG-CD2 3.87Å; K425-Y429 HydrophobicContact CG-CE2 3.6Å; K425-Y429 WeakPolarHBondContact O-CD2 3.24Å; K425-Y429 PolarHBondContact O-N 3.34Å; T426-Y429 PolarHBondContact O-N 2.94Å; Y429-W431 VanDerWaalsContact C-N 3.32Å; Y429-W431 PolarHBondContact O-N 3.4Å; Y429-A432 PolarHBondContact O-N 3.04Å; Y429-M433 WeakPolarHBondContact O-CB 3.49Å; Y429-M433 WeakPolarHBondContact O-CG 3.49Å; Y429-M433 PolarHBondContact O-N 3.23Å
430	I	77.2	Confident	69.4	Low	89 Å²	89	75.5 Å²	75.5	46%	0.456	39%	0.391	S	S	.	.	H	α-helix	trans	-61.2	-44.4	174.8	-70.1	167.8	0	0	0	109.5	T426 L427 A432 M433 V434	T426-I430 HydrophobicContact CG2-CD1 3.85Å; T426-I430 HydrophobicContact CG2-CG1 4.35Å; T426-I430 WeakPolarHBondContact O-CB 3.29Å; T426-I430 VanDerWaalsContact O-CG1 3.24Å; T426-I430 WeakPolarHBondContact O-CG1 3.44Å; T426-I430 PolarHBondContact O-N 2.89Å; L427-I430 PolarHBondContact O-N 3.16Å; I430-A432 PolarHBondContact O-N 3.29Å; I430-M433 CarbonylContact O-C 3.59Å; I430-M433 PolarHBondContact O-N 3.03Å; I430-V434 HydrophobicContact CG2-CG2 3.91Å; I430-V434 VanDerWaalsContact O-CB 3.29Å; I430-V434 WeakPolarHBondContact O-CB 3.25Å; I430-V434 WeakPolarHBondContact O-CG2 3.26Å; I430-V434 PolarHBondContact O-N 3.26Å
431	W	75.2	Confident	67.9	Low	165 Å²	165	77.4 Å²	77.4	63%	0.625	39%	0.392	S	S	*	.	H	α-helix	trans	-63.5	-41.4	178.2	178.2	63.4	0	0	0	112.2	L427 L428 Y429 V434 S435	L427-W431 VanDerWaalsContact O-CB 3.23Å; L427-W431 WeakPolarHBondContact O-CB 3.11Å; L427-W431 PolarHBondContact O-N 3.06Å; L428-W431 HydrophobicContact CD2-CE3 4.33Å; L428-W431 PolarHBondContact O-N 3.08Å; Y429-W431 VanDerWaalsContact C-N 3.32Å; Y429-W431 PolarHBondContact O-N 3.4Å; W431-V434 PolarHBondContact O-N 3.48Å; W431-S435 VanDerWaalsContact O-CB 3.26Å; W431-S435 WeakPolarHBondContact O-CB 3.23Å; W431-S435 PolarHBondContact O-N 3Å; W431-S435 PolarHBondContact O-OG 3.01Å
432	A	68.8	Low	66.7	Low	25 Å²	25	83 Å²	83	21%	0.207	42%	0.416	C	S	.	.	H	α-helix	trans	-62.2	-44	173.5	0	0	0	0	0	111.7	M256 L428 Y429 I430 F436	M256-A432 HydrophobicContact CE-CB 4.12Å; M256-A432 HydrophobicContact SD-CB 3.87Å; L428-A432 WeakPolarHBondContact O-CB 3.4Å; L428-A432 PolarHBondContact O-N 3.33Å; Y429-A432 PolarHBondContact O-N 3.04Å; I430-A432 PolarHBondContact O-N 3.29Å; A432-F436 WeakPolarHBondContact O-CB 3.46Å; A432-F436 PolarHBondContact O-N 3.46Å
433	M	70.3	Confident	65.1	Low	125 Å²	125	84.4 Å²	84.4	62%	0.616	41%	0.413	S	S	*	.	H	α-helix	trans	-67.9	-39.6	177.2	-70.7	-73.1	135.6	0	0	112.9	Y429 I430 F436 F437	Y429-M433 WeakPolarHBondContact O-CB 3.49Å; Y429-M433 WeakPolarHBondContact O-CG 3.49Å; Y429-M433 PolarHBondContact O-N 3.23Å; I430-M433 CarbonylContact O-C 3.59Å; I430-M433 PolarHBondContact O-N 3.03Å; M433-F436 WeakPolarHBondContact O-CB 3.45Å; M433-F436 PolarHBondContact O-N 3.13Å; M433-F437 WeakPolarHBondContact O-CB 3.23Å; M433-F437 PolarHBondContact O-N 3.48Å
434	V	67.9	Low	63.6	Low	73 Å²	73	89.6 Å²	89.6	44%	0.442	43%	0.425	S	S	.	.	H	α-helix	trans	-70.8	-40.6	177.5	169.4	0	0	0	0	110	I430 W431 F436 F437 V438	I430-V434 HydrophobicContact CG2-CG2 3.91Å; I430-V434 VanDerWaalsContact O-CB 3.29Å; I430-V434 WeakPolarHBondContact O-CB 3.25Å; I430-V434 WeakPolarHBondContact O-CG2 3.26Å; I430-V434 PolarHBondContact O-N 3.26Å; W431-V434 PolarHBondContact O-N 3.48Å; V434-F436 VanDerWaalsContact C-N 3.3Å; V434-F436 PolarHBondContact O-N 3.31Å; V434-F437 PolarHBondContact O-N 3.24Å; V434-V438 HydrophobicContact CG1-CG2 3.87Å; V434-V438 VanDerWaalsContact O-CB 3.3Å; V434-V438 WeakPolarHBondContact O-CB 3.49Å; V434-V438 VanDerWaalsContact O-CG2 3.24Å; V434-V438 WeakPolarHBondContact O-CG2 3.25Å; V434-V438 PolarHBondContact O-N 3.3Å
435	S	62.2	Low	61.9	Low	38 Å²	38	96.4 Å²	96.4	27%	0.266	45%	0.446	S	S	.	.	H	α-helix	trans	-57.2	-49.6	172	-59.9	0	0	0	0	109.1	W431 F437 V438 F439	W431-S435 VanDerWaalsContact O-CB 3.26Å; W431-S435 WeakPolarHBondContact O-CB 3.23Å; W431-S435 PolarHBondContact O-N 3Å; W431-S435 PolarHBondContact O-OG 3.01Å; S435-F437 PolarHBondContact O-N 3.42Å; S435-V438 PolarHBondContact O-N 3.2Å; S435-F439 WeakPolarHBondContact O-CB 3.45Å; S435-F439 WeakPolarHBondContact O-CD2 3.21Å; S435-F439 PolarHBondContact O-N 3.31Å
436	F	57.5	Low	60.3	Low	76 Å²	76	103.1 Å²	103.1	33%	0.333	47%	0.471	S	S	.	.	H	α-helix	trans	-55.3	-47.5	173.8	-177.3	-96.9	0	0	0	113.2	F248 E249 A432 M433 V434 F439 C440	F248-F436 AromaticContact CE2-CD2 3.99Å; F248-F436 HydrophobicContact CE2-CD2 3.99Å; F248-F436 AromaticContact CE2-CE2 3.73Å; F248-F436 HydrophobicContact CE2-CE2 3.73Å; F248-F436 AromaticContact CZ-CE2 3.92Å; F248-F436 HydrophobicContact CZ-CE2 3.92Å; E249-F436 HydrophobicContact CB-CD2 4.1Å; E249-F436 HydrophobicContact CB-CE2 3.8Å; A432-F436 WeakPolarHBondContact O-CB 3.46Å; A432-F436 PolarHBondContact O-N 3.46Å; M433-F436 WeakPolarHBondContact O-CB 3.45Å; M433-F436 PolarHBondContact O-N 3.13Å; V434-F436 VanDerWaalsContact C-N 3.3Å; V434-F436 PolarHBondContact O-N 3.31Å; F436-F439 PolarHBondContact O-N 3.07Å; F436-C440 VanDerWaalsContact O-CB 3.28Å; F436-C440 WeakPolarHBondContact O-CB 3.46Å; F436-C440 PolarHBondContact O-N 3.49Å; F436-C440 PolarHBondContact O-SG 3.17Å; F436-C440 VanDerWaalsContact O-SG 3.42Å
437	F	55.9	Low	58.2	Low	107 Å²	107	108 Å²	108	47%	0.469	49%	0.494	S	S	.	.	H	α-helix	trans	-70.3	-39.3	-177.9	-164.7	-93.9	0	0	0	113.1	M433 V434 S435 C440 Y441	M433-F437 WeakPolarHBondContact O-CB 3.23Å; M433-F437 PolarHBondContact O-N 3.48Å; V434-F437 PolarHBondContact O-N 3.24Å; S435-F437 PolarHBondContact O-N 3.42Å; F437-C440 PolarHBondContact O-N 2.82Å; F437-Y441 HydrophobicContact CD2-CD2 4.49Å; F437-Y441 HydrophobicContact CE1-CD1 4.47Å; F437-Y441 HydrophobicContact CE1-CG 4.04Å; F437-Y441 AromaticContact CE2-CD2 3.79Å; F437-Y441 HydrophobicContact CE2-CD2 3.79Å; F437-Y441 HydrophobicContact CE2-CE2 4.35Å; F437-Y441 HydrophobicContact CE2-CG 4.05Å; F437-Y441 HydrophobicContact CZ-CD1 4.09Å; F437-Y441 AromaticContact CZ-CD2 3.85Å; F437-Y441 HydrophobicContact CZ-CD2 3.85Å; F437-Y441 HydrophobicContact CZ-CE2 4.44Å; F437-Y441 AromaticContact CZ-CG 3.65Å; F437-Y441 HydrophobicContact CZ-CG 3.65Å; F437-Y441 VanDerWaalsContact O-CB 3.26Å; F437-Y441 WeakPolarHBondContact O-CB 3.48Å; F437-Y441 PolarHBondContact O-N 2.8Å
438	V	57.3	Low	57.1	Low	72 Å²	72	107.6 Å²	107.6	44%	0.436	49%	0.488	S	S	.	.	H	α-helix	trans	-67.7	-40	177.3	172	0	0	0	0	110.2	V434 S435 F442	V434-V438 HydrophobicContact CG1-CG2 3.87Å; V434-V438 VanDerWaalsContact O-CB 3.3Å; V434-V438 WeakPolarHBondContact O-CB 3.49Å; V434-V438 VanDerWaalsContact O-CG2 3.24Å; V434-V438 WeakPolarHBondContact O-CG2 3.25Å; V434-V438 PolarHBondContact O-N 3.3Å; S435-V438 PolarHBondContact O-N 3.2Å; V438-F442 HydrophobicContact CG1-CB 4.46Å; V438-F442 PolarHBondContact O-N 2.87Å
439	F	54.3	Low	56.2	Low	129 Å²	129	111.4 Å²	111.4	57%	0.566	50%	0.504	S	S	*	.	H	α-helix	trans	-68.9	-35.1	175.5	-85.3	-76.1	0	0	0	112.9	S435 F436	S435-F439 WeakPolarHBondContact O-CB 3.45Å; S435-F439 WeakPolarHBondContact O-CD2 3.21Å; S435-F439 PolarHBondContact O-N 3.31Å; F436-F439 PolarHBondContact O-N 3.07Å
440	C	49.7	Very low	55.2	Low	40 Å²	40	112 Å²	112	27%	0.27	51%	0.51	S	S	.	.	H	α-helix	trans	-86.9	-34.9	-178.8	-74.1	0	0	0	0	114.7	F436 F437	F436-C440 VanDerWaalsContact O-CB 3.28Å; F436-C440 WeakPolarHBondContact O-CB 3.46Å; F436-C440 PolarHBondContact O-N 3.49Å; F436-C440 PolarHBondContact O-SG 3.17Å; F436-C440 VanDerWaalsContact O-SG 3.42Å; F437-C440 PolarHBondContact O-N 2.82Å
441	Y	47.2	Very low	53.9	Low	138 Å²	138	113.4 Å²	113.4	54%	0.541	51%	0.513	S	S	.	.	H	α-helix	trans	-108.5	-36.8	-167.7	-125.9	-89.1	0	0	0	114.2	F437 R443 Y444	F437-Y441 HydrophobicContact CD2-CD2 4.49Å; F437-Y441 HydrophobicContact CE1-CD1 4.47Å; F437-Y441 HydrophobicContact CE1-CG 4.04Å; F437-Y441 AromaticContact CE2-CD2 3.79Å; F437-Y441 HydrophobicContact CE2-CD2 3.79Å; F437-Y441 HydrophobicContact CE2-CE2 4.35Å; F437-Y441 HydrophobicContact CE2-CG 4.05Å; F437-Y441 HydrophobicContact CZ-CD1 4.09Å; F437-Y441 AromaticContact CZ-CD2 3.85Å; F437-Y441 HydrophobicContact CZ-CD2 3.85Å; F437-Y441 HydrophobicContact CZ-CE2 4.44Å; F437-Y441 AromaticContact CZ-CG 3.65Å; F437-Y441 HydrophobicContact CZ-CG 3.65Å; F437-Y441 VanDerWaalsContact O-CB 3.26Å; F437-Y441 WeakPolarHBondContact O-CB 3.48Å; F437-Y441 PolarHBondContact O-N 2.8Å; Y441-R443 VanDerWaalsContact C-N 3.27Å; Y441-R443 PolarHBondContact O-N 3.48Å; Y441-Y444 PolarHBondContact O-N 3.44Å
442	F	47.1	Very low	52.5	Low	144 Å²	144	110.1 Å²	110.1	63%	0.632	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-11.1	-172.1	-109.3	-86.3	0	0	0	114.3	V438	V438-F442 HydrophobicContact CG1-CB 4.46Å; V438-F442 PolarHBondContact O-N 2.87Å
443	R	41.5	Very low	51.5	Low	101 Å²	101	115.8 Å²	115.8	38%	0.381	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-5.1	174.2	-131.4	173.5	-171.3	-165.8	1.2	114.4	R178 Y441 Y445	R178-R443 WeakPolarHBondContact O-CD 3.37Å; R178-R443 PolarHBondContact O-NH1 3.4Å; Y441-R443 VanDerWaalsContact C-N 3.27Å; Y441-R443 PolarHBondContact O-N 3.48Å; R443-Y445 VanDerWaalsContact C-N 3.34Å
444	Y	43.4	Very low	50.1	Low	137 Å²	137	115.1 Å²	115.1	54%	0.537	52%	0.52	S	S	.	.	S	Bend	trans	-83	-8.9	176.8	-126.6	-86.7	0	0	0	113.6	Y441	Y441-Y444 PolarHBondContact O-N 3.44Å
445	Y	42.2	Very low	48.7	Very low	196 Å²	196	118.4 Å²	118.4	77%	0.769	53%	0.526	S	S	*	.	S	Bend	trans	-119.8	-0.3	-178.9	-86.5	-84.4	0	0	0	114.9	R443	R443-Y445 VanDerWaalsContact C-N 3.34Å
446	Y	40	Very low	47.6	Very low	191 Å²	191	125.1 Å²	125.1	75%	0.749	55%	0.548	S	S	*	.			trans	-129.5	69.3	173.9	-86.4	-86.8	0	0	0	109.6
447	L	35.3	Very low	46.7	Very low	170 Å²	170	129.5 Å²	129.5	89%	0.89	57%	0.567	S	S	*	*			trans	167.2	0	160.1	-93.4	163.3	0	0	0	107.6	R178	R178-L447 VanDerWaalsContact NH2-CB 3.27Å; R178-L447 PolarHBondContact NH2-OXT 3.44Å

Retrieved 447 of 447 residues in 232.6 ms (Link to these results)

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