A0A087XZ61_POEFO Loading...

Transcription initiation factor IIF subunit alpha

TFIIF is a general transcription initiation factor that binds to RNA polymerase II and helps to recruit it to the initiation complex in collaboration with TFIIB. It promotes transcription elongation.

AlphaFold DB , UniProt , Accession A0A087XZ61, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 532 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	56.6	Low	247 Å²	247	124.5 Å²	124.5	100%	1.217	81%	0.812	S	S	*	*				0	118.8	0	-61.1	168.5	88.3	0	0	106.4
2	T	40.7	Very low	59.3	Low	143 Å²	143	121.6 Å²	121.6	88%	0.877	79%	0.79	S	S	*	*			trans	-79.8	137.6	179.1	34.8	0	0	0	0	110.3	L4	T2-L4 PolarHBondContact O-N 3.31Å
3	S	44.8	Very low	61.9	Low	117 Å²	117	126.2 Å²	126.2	82%	0.818	79%	0.794	S	S	*	*			trans	-75.2	122.7	-174.1	-172.2	0	0	0	0	111.6	G5	S3-G5 PolarHBondContact O-N 2.65Å; S3-G5 VanDerWaalsContact O-N 3.13Å
4	L	50.9	Low	64.1	Low	185 Å²	185	125.4 Å²	125.4	97%	0.969	77%	0.77	S	S	*	*			trans	-83.9	69.9	166.9	-78.7	165.7	0	0	0	109.4	T2	T2-L4 PolarHBondContact O-N 3.31Å
5	G	47.4	Very low	66.1	Low	61 Å²	61	123.5 Å²	123.5	63%	0.629	76%	0.758	S	S	*	*			trans	-101.6	112.1	-177.4	0	0	0	0	0	113.5	S3	S3-G5 PolarHBondContact O-N 2.65Å; S3-G5 VanDerWaalsContact O-N 3.13Å
6	G	49.4	Very low	67.9	Low	65 Å²	65	120.4 Å²	120.4	67%	0.67	74%	0.739	S	S	*	*			trans	60.7	67.8	150.8	0	0	0	0	0	118.3	S8	G6-S8 PolarHBondContact O-N 2.64Å
7	S	53.8	Low	69.4	Low	118 Å²	118	119.5 Å²	119.5	83%	0.825	72%	0.719	S	S	*	*			trans	-76.2	50.2	166.5	65.9	0	0	0	0	112.5
8	S	64.8	Low	70.7	Confident	95 Å²	95	117.5 Å²	117.5	66%	0.664	71%	0.707	S	S	*	*	S	Bend	trans	-99.4	104.7	176.7	52	0	0	0	0	110.2	G6	G6-S8 PolarHBondContact O-N 2.64Å
9	S	68.8	Low	71.7	Confident	121 Å²	121	113.3 Å²	113.3	85%	0.846	68%	0.683	S	S	*	*	S	Bend	trans	55.1	45.8	176.1	58.4	0	0	0	0	116.8
10	S	77.2	Confident	72.4	Confident	94 Å²	94	117.6 Å²	117.6	66%	0.657	69%	0.692	S	S	*	*			trans	-87.7	94	159.4	58.8	0	0	0	0	110.2
11	T	87.8	Confident	72.9	Confident	123 Å²	123	119.7 Å²	119.7	76%	0.755	70%	0.7	S	S	*	*			trans	-77	129.8	173.5	-53.4	0	0	0	0	109.8
12	T	89.1	Confident	75.2	Confident	90 Å²	90	110.7 Å²	110.7	55%	0.552	66%	0.659	S	S	*	*			trans	-129.2	129.5	171.1	47.7	0	0	0	0	110.5	Y14	T12-Y14 WeakPolarHBondContact CB-OH 3.11Å; T12-Y14 VanDerWaalsContact OG1-CE2 3.23Å; T12-Y14 WeakPolarHBondContact OG1-CE2 3.48Å; T12-Y14 PolarHBondContact OG1-OH 2.69Å
13	E	92	Very high	77.5	Confident	181 Å²	181	110.7 Å²	110.7	85%	0.846	66%	0.659	S	S	*	*			trans	-100.2	139.2	179.8	-64.8	-177.9	-175.9	0	0	110.1
14	Y	93.2	Very high	79.7	Confident	115 Å²	115	111.9 Å²	111.9	45%	0.451	65%	0.649	S	S	.	*			trans	-138.3	137.7	-179.2	-56.2	-82	0	0	0	110.7	T12 V16 G133 F135	T12-Y14 WeakPolarHBondContact CB-OH 3.11Å; T12-Y14 VanDerWaalsContact OG1-CE2 3.23Å; T12-Y14 WeakPolarHBondContact OG1-CE2 3.48Å; T12-Y14 PolarHBondContact OG1-OH 2.69Å; Y14-V16 PolarHBondContact O-N 3.12Å; Y14-G133 WeakPolarHBondContact CD1-O 3.42Å; Y14-F135 HydrophobicContact CD1-CE2 4.07Å; Y14-F135 AromaticContact CD2-CE2 3.85Å; Y14-F135 HydrophobicContact CD2-CE2 3.85Å; Y14-F135 HydrophobicContact CE2-CE2 4.41Å; Y14-F135 HydrophobicContact CG-CD2 4.05Å; Y14-F135 AromaticContact CG-CE2 3.66Å; Y14-F135 HydrophobicContact CG-CE2 3.66Å
15	T	93.8	Very high	81.5	Confident	97 Å²	97	108.6 Å²	108.6	60%	0.595	63%	0.627	S	S	*	*			trans	-73.8	124.6	174.2	-62.4	0	0	0	0	110	R17 A134 F135	T15-R17 HydrophobicContact CG2-CG 4.44Å; T15-A134 WeakPolarHBondContact O-CA 3.47Å; T15-A134 WeakPolarHBondContact O-CB 3.42Å; T15-F135 PolarHBondContact O-N 3.32Å
16	V	95.4	Very high	83.6	Confident	74 Å²	74	108.7 Å²	108.7	45%	0.448	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.4	126.5	173.5	-178.1	0	0	0	0	109.6	Y14 F127 F135 A137	Y14-V16 PolarHBondContact O-N 3.12Å; V16-F127 HydrophobicContact CG1-CD1 4.35Å; V16-F127 HydrophobicContact CG1-CE1 3.64Å; V16-F127 HydrophobicContact CG1-CZ 4.4Å; V16-F127 HydrophobicContact CG2-CE1 4.01Å; V16-F135 CarbonylContact C-O 3.57Å; V16-F135 WeakPolarHBondContact CA-O 3.33Å; V16-F135 HydrophobicContact CG2-CB 4.39Å; V16-A137 HydrophobicContact CG1-CB 4.03Å
17	R	93.1	Very high	85.6	Confident	105 Å²	105	108.6 Å²	108.6	40%	0.396	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.4	142.3	174	-55.1	178.6	-169.6	142.2	7.6	109.3	T15 D132 F135 E136 A137	T15-R17 HydrophobicContact CG2-CG 4.44Å; R17-D132 IonicContact CZ-OD2 3.76Å; R17-D132 IonicContact NH1-OD2 3.55Å; R17-D132 PolarHBondContact NH1-OD2 3.13Å; R17-D132 IonicContact NH2-OD2 2.66Å; R17-D132 PolarHBondContact NH2-OD2 2.91Å; R17-F135 PolarHBondContact N-O 3.07Å; R17-E136 HydrophobicContact CB-CG 4.29Å; R17-E136 WeakPolarHBondContact O-CA 3.5Å; R17-A137 PolarHBondContact O-N 3.36Å
18	V	93.1	Very high	87.5	Confident	84 Å²	84	105 Å²	105	51%	0.509	56%	0.564	S	S	.	*			trans	-119.2	94.2	175.1	-173.6	0	0	0	0	108.9	K20 Y125 A137	V18-K20 PolarHBondContact O-N 2.71Å; V18-K20 VanDerWaalsContact O-N 3.12Å; V18-Y125 HydrophobicContact CG1-CE1 4.18Å; V18-A137 HydrophobicContact CG2-CB 4.35Å
19	P	89.8	Confident	88.8	Confident	38 Å²	38	104 Å²	104	25%	0.247	55%	0.55	C	S	.	*			trans	-64.9	111.3	179.5	-22.8	35.3	0	0	0	111.3	E136 F138	P19-E136 HydrophobicContact CG-CB 4.43Å; P19-E136 HydrophobicContact CG-CG 4.33Å; P19-F138 HydrophobicContact CB-CE1 4.14Å; P19-F138 HydrophobicContact CG-CE1 3.8Å; P19-F138 HydrophobicContact CG-CZ 4.17Å
20	K	86	Confident	89.9	Confident	198 Å²	198	99.3 Å²	99.3	86%	0.861	52%	0.519	S	S	*	.	S	Bend	trans	-68.7	-39.6	-179.5	-64.3	-175.6	-180	-179.1	0	112.6	V18	V18-K20 PolarHBondContact O-N 2.71Å; V18-K20 VanDerWaalsContact O-N 3.12Å
21	N	82.7	Confident	90.6	Very high	162 Å²	162	97.6 Å²	97.6	87%	0.866	50%	0.499	S	S	*	.	S	Bend	trans	-109	97.8	-175.9	-62.8	3.4	0	0	0	108.8
22	T	85.4	Confident	90.7	Very high	58 Å²	58	96.4 Å²	96.4	36%	0.356	49%	0.489	S	S	.	.			trans	-115.6	138.1	172.9	-178.2	0	0	0	0	111.1	K24 Y26	T22-K24 WeakPolarHBondContact CG2-O 3.45Å; T22-K24 PolarHBondContact O-N 2.76Å; T22-K24 PolarHBondContact OG1-N 3.23Å; T22-Y26 HydrophobicContact CG2-CE2 4.25Å
23	T	88.9	Confident	90.7	Very high	143 Å²	143	96.5 Å²	96.5	88%	0.877	50%	0.498	S	S	*	.	S	Bend	trans	-78.5	-1.1	176.6	53.7	0	0	0	0	113.1
24	K	90.4	Very high	90.3	Very high	142 Å²	142	90.5 Å²	90.5	62%	0.617	49%	0.485	S	S	*	.	S	Bend	trans	-127.9	125.7	-173.2	-63.7	175.5	-175.9	172.4	0	111	T22 Y26	T22-K24 WeakPolarHBondContact CG2-O 3.45Å; T22-K24 PolarHBondContact O-N 2.76Å; T22-K24 PolarHBondContact OG1-N 3.23Å; K24-Y26 HydrophobicContact CB-CE2 4.16Å; K24-Y26 WeakPolarHBondContact O-CD2 3.43Å; K24-Y26 VanDerWaalsContact O-CE2 3.26Å; K24-Y26 WeakPolarHBondContact O-CE2 3.35Å; K24-Y26 PolarHBondContact O-N 2.88Å
25	K	89.8	Confident	89.7	Confident	116 Å²	116	86.9 Å²	86.9	50%	0.504	47%	0.473	S	S	.	.			trans	-76.3	116.1	171.2	-69.2	-178	171.6	-164.6	0	109.9	N27 E94 H141	K25-N27 PolarHBondContact O-ND2 2.8Å; K25-E94 VanDerWaalsContact NZ-CD 3.33Å; K25-E94 IonicContact NZ-OE1 2.65Å; K25-E94 PolarHBondContact NZ-OE1 3.45Å; K25-E94 IonicContact NZ-OE2 2.85Å; K25-E94 PolarHBondContact NZ-OE2 2.93Å; K25-E94 VanDerWaalsContact NZ-OE2 3.16Å; K25-H141 PolarHBondContact NZ-NE2 2.86Å
26	Y	91.6	Very high	89.2	Confident	63 Å²	63	92.6 Å²	92.6	25%	0.247	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.3	177.6	-67.9	-106.4	0	0	0	110.6	T22 K24 I126 F138 H141	T22-Y26 HydrophobicContact CG2-CE2 4.25Å; K24-Y26 HydrophobicContact CB-CE2 4.16Å; K24-Y26 WeakPolarHBondContact O-CD2 3.43Å; K24-Y26 VanDerWaalsContact O-CE2 3.26Å; K24-Y26 WeakPolarHBondContact O-CE2 3.35Å; K24-Y26 PolarHBondContact O-N 2.88Å; Y26-I126 HydrophobicContact CD1-CD1 4.39Å; Y26-F138 HydrophobicContact CD1-CB 3.79Å; Y26-F138 HydrophobicContact CD1-CD2 4.26Å; Y26-F138 HydrophobicContact CD1-CG 4.01Å; Y26-F138 HydrophobicContact CD2-CB 3.76Å; Y26-F138 HydrophobicContact CD2-CD1 4.01Å; Y26-F138 HydrophobicContact CD2-CG 4Å; Y26-F138 HydrophobicContact CE1-CB 3.95Å; Y26-F138 HydrophobicContact CE1-CD1 4.13Å; Y26-F138 AromaticContact CE1-CD2 3.63Å; Y26-F138 HydrophobicContact CE1-CD2 3.63Å; Y26-F138 HydrophobicContact CE1-CE2 4.13Å; Y26-F138 AromaticContact CE1-CG 3.62Å; Y26-F138 HydrophobicContact CE1-CG 3.62Å; Y26-F138 HydrophobicContact CE2-CB 3.98Å; Y26-F138 AromaticContact CE2-CD1 3.4Å; Y26-F138 HydrophobicContact CE2-CD1 3.4Å; Y26-F138 HydrophobicContact CE2-CD2 4.42Å; Y26-F138 AromaticContact CE2-CE1 3.94Å; Y26-F138 HydrophobicContact CE2-CE1 3.94Å; Y26-F138 AromaticContact CE2-CG 3.67Å; Y26-F138 HydrophobicContact CE2-CG 3.67Å; Y26-F138 HydrophobicContact CG-CB 3.69Å; Y26-F138 HydrophobicContact CG-CG 4.19Å; Y26-F138 AromaticContact CZ-CD1 3.45Å; Y26-F138 VanDerWaalsContact CZ-CD1 3.45Å; Y26-F138 AromaticContact CZ-CD2 3.74Å; Y26-F138 AromaticContact CZ-CE1 3.73Å; Y26-F138 AromaticContact CZ-CE2 3.99Å; Y26-F138 AromaticContact CZ-CG 3.46Å; Y26-F138 VanDerWaalsContact CZ-CG 3.46Å; Y26-F138 AromaticContact CZ-CZ 3.98Å; Y26-F138 WeakPolarHBondContact OH-CE1 3.46Å; Y26-F138 WeakPolarHBondContact OH-CZ 3.47Å; Y26-H141 PolarHBondContact O-N 2.72Å
27	N	91.8	Very high	88.8	Confident	64 Å²	64	90.8 Å²	90.8	34%	0.342	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.2	-174.3	-66.4	-90.5	0	0	0	110.4	K25 G142 Y144	K25-N27 PolarHBondContact O-ND2 2.8Å; N27-G142 CarbonylContact C-O 3.51Å; N27-G142 VanDerWaalsContact CA-O 3.26Å; N27-G142 WeakPolarHBondContact CA-O 3.34Å; N27-G142 WeakPolarHBondContact OD1-CA 3.34Å; N27-G142 PolarHBondContact OD1-N 3.09Å; N27-Y144 HydrophobicContact CB-CD2 4.39Å; N27-Y144 HydrophobicContact CB-CE2 4.12Å; N27-Y144 WeakPolarHBondContact OD1-CE2 3.33Å
28	I	92.4	Very high	88.5	Confident	42 Å²	42	90.3 Å²	90.3	22%	0.215	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.9	177.5	-62.8	-64.3	0	0	0	110.5	A30 I126 V140 G142 W143 Y144	I28-A30 HydrophobicContact CG2-CB 4.4Å; I28-I126 HydrophobicContact CD1-CD1 3.74Å; I28-I126 HydrophobicContact CD1-CG1 4.05Å; I28-V140 HydrophobicContact CB-CG1 4.5Å; I28-V140 HydrophobicContact CD1-CG2 4.12Å; I28-V140 HydrophobicContact CG1-CB 4.48Å; I28-V140 HydrophobicContact CG1-CG1 3.75Å; I28-V140 HydrophobicContact CG1-CG2 3.82Å; I28-G142 PolarHBondContact N-O 3.24Å; I28-W143 HydrophobicContact CB-CD2 4.06Å; I28-W143 HydrophobicContact CB-CE3 3.88Å; I28-W143 HydrophobicContact CB-CG 4.45Å; I28-W143 HydrophobicContact CB-CZ3 4.31Å; I28-W143 HydrophobicContact CG1-CE3 3.97Å; I28-W143 HydrophobicContact CG1-CZ3 4.18Å; I28-W143 HydrophobicContact CG2-CD2 3.85Å; I28-W143 HydrophobicContact CG2-CE3 3.82Å; I28-W143 HydrophobicContact CG2-CH2 4Å; I28-W143 HydrophobicContact CG2-CZ2 4.03Å; I28-W143 HydrophobicContact CG2-CZ3 3.89Å; I28-Y144 PolarHBondContact O-N 3.09Å
29	M	92.7	Very high	88	Confident	74 Å²	74	90.2 Å²	90.2	37%	0.365	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	100.3	168.9	172.5	-176.8	-72.7	0	0	108.3	F31 M47 L100 F146	M29-F31 HydrophobicContact CG-CD2 4.26Å; M29-F31 HydrophobicContact CG-CE2 3.47Å; M29-F31 VanDerWaalsContact CG-CE2 3.47Å; M29-F31 HydrophobicContact CG-CZ 3.63Å; M29-F31 HydrophobicContact SD-CE2 3.4Å; M29-F31 WeakPolarHBondContact SD-CE2 3.41Å; M29-F31 HydrophobicContact SD-CZ 3.44Å; M29-F31 WeakPolarHBondContact SD-CZ 3.1Å; M29-M47 HydrophobicContact CE-CE 3.16Å; M29-L100 HydrophobicContact CE-CD2 4.15Å; M29-L100 HydrophobicContact SD-CD2 4.43Å; M29-F146 HydrophobicContact CB-CD2 4.32Å; M29-F146 HydrophobicContact CB-CE2 4.08Å; M29-F146 HydrophobicContact CE-CE2 4.18Å; M29-F146 HydrophobicContact CE-CZ 4.1Å; M29-F146 HydrophobicContact CG-CD2 3.66Å; M29-F146 HydrophobicContact CG-CE2 3.71Å; M29-F146 HydrophobicContact CG-CG 4.41Å
30	A	92.4	Very high	88	Confident	22 Å²	22	94 Å²	94	18%	0.182	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.2	179.4	0	0	0	0	0	110.9	I28 W143 Y144 F146	I28-A30 HydrophobicContact CG2-CB 4.4Å; A30-W143 HydrophobicContact CB-CZ2 3.97Å; A30-Y144 PolarHBondContact N-O 2.63Å; A30-F146 PolarHBondContact O-N 2.9Å
31	F	92	Very high	88	Confident	58 Å²	58	87.6 Å²	87.6	25%	0.254	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	151.5	171.1	-67.2	-72.1	0	0	0	111.2	M29 V37 W42 L100 F110 F146	M29-F31 HydrophobicContact CG-CD2 4.26Å; M29-F31 HydrophobicContact CG-CE2 3.47Å; M29-F31 VanDerWaalsContact CG-CE2 3.47Å; M29-F31 HydrophobicContact CG-CZ 3.63Å; M29-F31 HydrophobicContact SD-CE2 3.4Å; M29-F31 WeakPolarHBondContact SD-CE2 3.41Å; M29-F31 HydrophobicContact SD-CZ 3.44Å; M29-F31 WeakPolarHBondContact SD-CZ 3.1Å; F31-V37 HydrophobicContact CB-CG2 4.15Å; F31-V37 HydrophobicContact CD1-CG2 3.84Å; F31-V37 HydrophobicContact CD2-CB 4.5Å; F31-V37 HydrophobicContact CD2-CG1 4.25Å; F31-V37 HydrophobicContact CE1-CG2 4.44Å; F31-V37 HydrophobicContact CE2-CG1 4.34Å; F31-V37 HydrophobicContact CG-CB 4.29Å; F31-V37 HydrophobicContact CG-CG1 4.42Å; F31-V37 HydrophobicContact CG-CG2 3.93Å; F31-W42 HydrophobicContact CE1-CH2 4.46Å; F31-W42 HydrophobicContact CE2-CH2 4.03Å; F31-W42 AromaticContact CZ-CH2 3.65Å; F31-W42 HydrophobicContact CZ-CH2 3.65Å; F31-W42 HydrophobicContact CZ-CZ2 4.38Å; F31-L100 HydrophobicContact CZ-CD2 4.04Å; F31-F110 HydrophobicContact CD1-CD1 4.15Å; F31-F110 HydrophobicContact CD1-CE1 4.24Å; F31-F110 AromaticContact CE1-CD1 3.87Å; F31-F110 HydrophobicContact CE1-CD1 3.87Å; F31-F110 HydrophobicContact CE1-CE1 4.13Å; F31-F110 HydrophobicContact CE1-CG 4.12Å; F31-F146 HydrophobicContact CD1-CB 3.65Å; F31-F146 HydrophobicContact CE1-CB 3.41Å; F31-F146 VanDerWaalsContact CE1-CB 3.41Å; F31-F146 HydrophobicContact CE1-CG 4.03Å; F31-F146 HydrophobicContact CZ-CB 4.22Å; F31-F146 HydrophobicContact CZ-CG 4.42Å
32	N	89.9	Confident	88.3	Confident	99 Å²	99	82.7 Å²	82.7	53%	0.529	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-71.8	133.2	167.7	-172.9	-7.9	0	0	0	110	G34 D35	N32-G34 PolarHBondContact O-N 2.83Å; N32-G34 PolarHBondContact OD1-N 2.93Å; N32-D35 WeakPolarHBondContact O-CB 3.23Å; N32-D35 PolarHBondContact O-N 3.04Å
33	A	87.9	Confident	88.5	Confident	91 Å²	91	86 Å²	86	75%	0.752	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-56.5	-31.1	173.5	0	0	0	0	0	112.5	D35 R36	A33-D35 VanDerWaalsContact C-N 3.3Å; A33-D35 PolarHBondContact O-N 3.39Å; A33-R36 PolarHBondContact O-N 3.37Å
34	G	83.1	Confident	88.4	Confident	55 Å²	55	84.4 Å²	84.4	57%	0.567	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-62.6	-30.2	175	0	0	0	0	0	114.5	N32 R36	N32-G34 PolarHBondContact O-N 2.83Å; N32-G34 PolarHBondContact OD1-N 2.93Å; G34-R36 PolarHBondContact O-N 3.35Å
35	D	81.4	Confident	88.4	Confident	39 Å²	39	80.3 Å²	80.3	21%	0.209	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-72.3	-11.8	-179.3	-70.9	17.9	0	0	0	112.1	N32 A33 V37 Q148	N32-D35 WeakPolarHBondContact O-CB 3.23Å; N32-D35 PolarHBondContact O-N 3.04Å; A33-D35 VanDerWaalsContact C-N 3.3Å; A33-D35 PolarHBondContact O-N 3.39Å; D35-V37 VanDerWaalsContact C-N 3.32Å; D35-V37 HydrophobicContact CB-CG2 3.96Å; D35-V37 PolarHBondContact O-N 3.11Å; D35-Q148 WeakPolarHBondContact OD2-CB 3.44Å; D35-Q148 PolarHBondContact OD2-N 2.97Å
36	R	84	Confident	88.4	Confident	217 Å²	217	83 Å²	83	82%	0.819	46%	0.46	S	S	*	.			trans	43.3	56.1	178.4	-69.6	-176	-71.7	172	-1.8	112.1	A33 G34 N38	A33-R36 PolarHBondContact O-N 3.37Å; G34-R36 PolarHBondContact O-N 3.35Å; R36-N38 PolarHBondContact O-N 3.14Å
37	V	86.3	Confident	88.4	Confident	36 Å²	36	84 Å²	84	22%	0.218	47%	0.468	C	S	.	.			trans	-73.7	117.5	-179.4	177.7	0	0	0	0	110.1	F31 D35 W42 F110	F31-V37 HydrophobicContact CB-CG2 4.15Å; F31-V37 HydrophobicContact CD1-CG2 3.84Å; F31-V37 HydrophobicContact CD2-CB 4.5Å; F31-V37 HydrophobicContact CD2-CG1 4.25Å; F31-V37 HydrophobicContact CE1-CG2 4.44Å; F31-V37 HydrophobicContact CE2-CG1 4.34Å; F31-V37 HydrophobicContact CG-CB 4.29Å; F31-V37 HydrophobicContact CG-CG1 4.42Å; F31-V37 HydrophobicContact CG-CG2 3.93Å; D35-V37 VanDerWaalsContact C-N 3.32Å; D35-V37 HydrophobicContact CB-CG2 3.96Å; D35-V37 PolarHBondContact O-N 3.11Å; V37-W42 HydrophobicContact CG1-CH2 4.04Å; V37-W42 HydrophobicContact CG1-CZ2 3.35Å; V37-F110 HydrophobicContact CG2-CE1 3.77Å; V37-F110 HydrophobicContact CG2-CZ 3.91Å
38	N	86.9	Confident	88.3	Confident	95 Å²	95	84.3 Å²	84.3	51%	0.508	47%	0.467	S	S	.	.			trans	-106.4	104.2	172.5	180	-9.3	0	0	0	109.4	R36 S40 S41 W42	R36-N38 PolarHBondContact O-N 3.14Å; N38-S40 PolarHBondContact O-N 2.82Å; N38-S40 WeakPolarHBondContact OD1-CB 3.37Å; N38-S40 PolarHBondContact OD1-N 2.89Å; N38-S41 PolarHBondContact O-N 3.21Å; N38-S41 VanDerWaalsContact O-N 3.13Å; N38-S41 PolarHBondContact O-OG 3.16Å; N38-W42 PolarHBondContact O-NE1 2.7Å
39	C	82.7	Confident	88.2	Confident	82 Å²	82	84.6 Å²	84.6	55%	0.554	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-61.5	-30.5	-178.2	-56.4	0	0	0	0	112.9	S41 W42	C39-S41 PolarHBondContact O-N 2.85Å; C39-S41 VanDerWaalsContact O-N 3.15Å; C39-W42 WeakPolarHBondContact O-CB 3.32Å; C39-W42 PolarHBondContact O-N 3.47Å; C39-W42 VanDerWaalsContact O-N 3.14Å
40	S	89.3	Confident	87.6	Confident	119 Å²	119	81.7 Å²	81.7	83%	0.832	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-69.4	-8.5	178.3	-46.4	0	0	0	0	113.7	N38	N38-S40 PolarHBondContact O-N 2.82Å; N38-S40 WeakPolarHBondContact OD1-CB 3.37Å; N38-S40 PolarHBondContact OD1-N 2.89Å
41	S	87.1	Confident	87	Confident	63 Å²	63	84.3 Å²	84.3	44%	0.441	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-90.5	3.9	173.3	70.1	0	0	0	0	114	N38 C39 N103	N38-S41 PolarHBondContact O-N 3.21Å; N38-S41 VanDerWaalsContact O-N 3.13Å; N38-S41 PolarHBondContact O-OG 3.16Å; C39-S41 PolarHBondContact O-N 2.85Å; C39-S41 VanDerWaalsContact O-N 3.15Å; S41-N103 PolarHBondContact O-ND2 3.11Å
42	W	88.6	Confident	86	Confident	59 Å²	59	84.6 Å²	84.6	22%	0.223	47%	0.47	C	S	.	.			trans	-101.7	105.4	-174.2	-61.1	5.8	0	0	0	109.8	F31 V37 N38 C39 L100 V102 F110	F31-W42 HydrophobicContact CE1-CH2 4.46Å; F31-W42 HydrophobicContact CE2-CH2 4.03Å; F31-W42 AromaticContact CZ-CH2 3.65Å; F31-W42 HydrophobicContact CZ-CH2 3.65Å; F31-W42 HydrophobicContact CZ-CZ2 4.38Å; V37-W42 HydrophobicContact CG1-CH2 4.04Å; V37-W42 HydrophobicContact CG1-CZ2 3.35Å; N38-W42 PolarHBondContact O-NE1 2.7Å; C39-W42 WeakPolarHBondContact O-CB 3.32Å; C39-W42 PolarHBondContact O-N 3.47Å; C39-W42 VanDerWaalsContact O-N 3.14Å; W42-L100 HydrophobicContact CH2-CD2 3.7Å; W42-L100 HydrophobicContact CZ3-CD2 3.99Å; W42-V102 HydrophobicContact CB-CG1 3.97Å; W42-V102 VanDerWaalsContact CD1-CG1 3.42Å; W42-V102 HydrophobicContact CD2-CG1 3.74Å; W42-V102 HydrophobicContact CD2-CG2 4.02Å; W42-V102 HydrophobicContact CE3-CG2 4.22Å; W42-V102 HydrophobicContact CG-CG1 3.44Å; W42-V102 VanDerWaalsContact CG-CG1 3.44Å; W42-V102 HydrophobicContact CH2-CG2 4.1Å; W42-V102 HydrophobicContact CZ2-CG2 3.87Å; W42-V102 HydrophobicContact CZ3-CG2 4.28Å; W42-F110 HydrophobicContact CZ2-CE2 4.08Å; W42-F110 HydrophobicContact CZ2-CZ 4.38Å
43	T	88.5	Confident	84.8	Confident	126 Å²	126	80.9 Å²	80.9	77%	0.773	45%	0.453	S	S	*	.	S	Bend	trans	-87.9	-26.4	177.1	55	0	0	0	0	112.3	N103	T43-N103 PolarHBondContact N-OD1 3.19Å; T43-N103 PolarHBondContact OG1-OD1 3.16Å
44	Q	88.2	Confident	83.6	Confident	111 Å²	111	84.4 Å²	84.4	52%	0.519	45%	0.447	S	S	.	.			trans	-148	142.8	173.7	58.3	175.4	-66.7	0	0	110.2	N103	Q44-N103 PolarHBondContact N-OD1 3.47Å; Q44-N103 PolarHBondContact O-N 3.36Å; Q44-N103 PolarHBondContact O-OD1 2.88Å
45	A	90.4	Very high	82.5	Confident	56 Å²	56	91.8 Å²	91.8	46%	0.463	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.1	173.2	0	0	0	0	0	110.1	L100 K101	A45-L100 HydrophobicContact CB-CD1 4.18Å; A45-K101 WeakPolarHBondContact CA-O 3.41Å
46	R	90.1	Very high	81.3	Confident	173 Å²	173	95.7 Å²	95.7	65%	0.653	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.6	166.9	-71.4	-170.1	176.4	-159.6	-0.7	109.3	L100 K101	R46-L100 WeakPolarHBondContact O-CA 3.21Å; R46-K101 HydrophobicContact CB-CB 4.49Å; R46-K101 PolarHBondContact N-O 3.44Å; R46-K101 PolarHBondContact O-N 3.34Å
47	M	90.1	Very high	79.8	Confident	82 Å²	82	91.6 Å²	91.6	40%	0.404	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.5	170.8	-176.8	-175.7	-67.5	0	0	108.6	M29 W98 I99 L100 F146	M29-M47 HydrophobicContact CE-CE 3.16Å; M47-W98 HydrophobicContact CG-CB 4.36Å; M47-W98 HydrophobicContact CG-CD2 3.95Å; M47-W98 HydrophobicContact CG-CE3 3.43Å; M47-W98 VanDerWaalsContact CG-CE3 3.43Å; M47-W98 HydrophobicContact CG-CG 4.38Å; M47-W98 HydrophobicContact CG-CZ3 3.92Å; M47-W98 HydrophobicContact SD-CD2 3.71Å; M47-W98 HydrophobicContact SD-CE3 3.67Å; M47-W98 HydrophobicContact SD-CG 4.14Å; M47-W98 HydrophobicContact SD-CH2 4.35Å; M47-W98 HydrophobicContact SD-CZ2 4.42Å; M47-W98 HydrophobicContact SD-CZ3 4Å; M47-I99 WeakPolarHBondContact CA-O 3.4Å; M47-L100 HydrophobicContact CB-CD1 4.17Å; M47-L100 HydrophobicContact CE-CD1 4.36Å; M47-F146 HydrophobicContact CE-CZ 4.17Å
48	E	89.8	Confident	78.1	Confident	71 Å²	71	92.7 Å²	92.7	33%	0.332	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.6	-176.7	-64.8	165.6	-144	0	0	108.8	I99 K101	E48-I99 PolarHBondContact N-O 2.87Å; E48-I99 PolarHBondContact O-N 2.9Å; E48-K101 IonicContact OE1-NZ 3.16Å; E48-K101 PolarHBondContact OE1-NZ 3.17Å; E48-K101 WeakPolarHBondContact OE2-CE 3.42Å; E48-K101 IonicContact OE2-NZ 2.76Å; E48-K101 PolarHBondContact OE2-NZ 3.35Å
49	R	89.6	Confident	76.1	Confident	48 Å²	48	95.4 Å²	95.4	18%	0.181	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	143	171.7	-71.5	-69.6	-174.8	147.2	10	110.1	M51 V93 E94 Q96 W98	R49-M51 HydrophobicContact CB-SD 4.19Å; R49-M51 PolarHBondContact O-N 2.92Å; R49-V93 HydrophobicContact CG-CG1 4.47Å; R49-V93 PolarHBondContact NH1-O 3.02Å; R49-E94 PolarHBondContact NH1-O 2.92Å; R49-E94 PolarHBondContact NH2-O 2.9Å; R49-Q96 WeakPolarHBondContact CD-O 3.45Å; R49-Q96 PolarHBondContact NH1-O 3.19Å; R49-W98 HydrophobicContact CG-CE3 4Å; R49-W98 HydrophobicContact CG-CH2 4.31Å; R49-W98 HydrophobicContact CG-CZ3 3.83Å; R49-W98 VanDerWaalsContact CZ-CZ2 3.49Å; R49-W98 VanDerWaalsContact NE-CH2 3.34Å
50	D	81.7	Confident	74.2	Confident	13 Å²	13	97.1 Å²	97.1	7%	0.07	49%	0.491	C	S	.	.			trans	-76	90.7	176.6	-167	-9	0	0	0	111	S52 P97 I99 K111	D50-S52 VanDerWaalsContact CG-OG 3.3Å; D50-S52 PolarHBondContact O-N 3.25Å; D50-S52 VanDerWaalsContact OD1-CB 3.23Å; D50-S52 WeakPolarHBondContact OD1-CB 3.15Å; D50-S52 PolarHBondContact OD1-N 2.85Å; D50-S52 VanDerWaalsContact OD1-N 3.15Å; D50-S52 PolarHBondContact OD1-OG 3.11Å; D50-P97 HydrophobicContact CB-CG 3.86Å; D50-P97 WeakPolarHBondContact CB-O 3.26Å; D50-P97 PolarHBondContact N-O 2.64Å; D50-I99 HydrophobicContact CB-CD1 3.86Å; D50-I99 HydrophobicContact CB-CG1 3.94Å; D50-K111 VanDerWaalsContact OD2-CE 3.31Å; D50-K111 WeakPolarHBondContact OD2-CE 3.49Å; D50-K111 IonicContact OD2-NZ 2.6Å; D50-K111 PolarHBondContact OD2-NZ 3.14Å
51	M	78.5	Confident	72.1	Confident	78 Å²	78	100.3 Å²	100.3	38%	0.384	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	4.5	178.9	-55.7	-59	-76.7	0	0	113.3	R49 A53 R54 F91	R49-M51 HydrophobicContact CB-SD 4.19Å; R49-M51 PolarHBondContact O-N 2.92Å; M51-A53 VanDerWaalsContact C-N 3.32Å; M51-A53 PolarHBondContact O-N 2.96Å; M51-R54 WeakPolarHBondContact O-CB 2.92Å; M51-R54 PolarHBondContact O-N 3.17Å; M51-R54 VanDerWaalsContact O-N 3.07Å; M51-F91 HydrophobicContact CE-CE1 3.82Å; M51-F91 HydrophobicContact CE-CZ 3.9Å; M51-F91 HydrophobicContact SD-CE1 4.48Å; M51-F91 HydrophobicContact SD-CZ 4.07Å
52	S	71.9	Confident	70.5	Confident	63 Å²	63	100.4 Å²	100.4	44%	0.441	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-39.7	-179.5	60	0	0	0	0	112.7	D50 R54 R55	D50-S52 VanDerWaalsContact CG-OG 3.3Å; D50-S52 PolarHBondContact O-N 3.25Å; D50-S52 VanDerWaalsContact OD1-CB 3.23Å; D50-S52 WeakPolarHBondContact OD1-CB 3.15Å; D50-S52 PolarHBondContact OD1-N 2.85Å; D50-S52 VanDerWaalsContact OD1-N 3.15Å; D50-S52 PolarHBondContact OD1-OG 3.11Å; S52-R54 PolarHBondContact O-N 2.9Å; S52-R54 VanDerWaalsContact O-N 3.16Å; S52-R55 WeakPolarHBondContact O-CB 3.46Å; S52-R55 PolarHBondContact O-N 3.4Å; S52-R55 VanDerWaalsContact O-N 3.09Å
53	A	64	Low	68.8	Low	22 Å²	22	101.6 Å²	101.6	18%	0.182	51%	0.507	C	S	.	.	H	α-helix	trans	-61.8	-22.2	176.4	0	0	0	0	0	113.1	M51 R55 I56 Y57 F91	M51-A53 VanDerWaalsContact C-N 3.32Å; M51-A53 PolarHBondContact O-N 2.96Å; A53-R55 PolarHBondContact O-N 3.45Å; A53-I56 PolarHBondContact O-N 2.6Å; A53-I56 VanDerWaalsContact O-N 3.11Å; A53-Y57 VanDerWaalsContact O-CD2 3.3Å; A53-Y57 WeakPolarHBondContact O-CD2 3.38Å; A53-Y57 PolarHBondContact O-N 2.78Å; A53-F91 HydrophobicContact CB-CE2 4.25Å
54	R	62.8	Low	67	Low	165 Å²	165	102.4 Å²	102.4	62%	0.623	50%	0.502	S	S	*	.	H	α-helix	trans	-63.2	-21.5	175.9	-163.3	176.8	171	-159.4	-2.4	112.7	M51 S52 G58 F91	M51-R54 WeakPolarHBondContact O-CB 2.92Å; M51-R54 PolarHBondContact O-N 3.17Å; M51-R54 VanDerWaalsContact O-N 3.07Å; S52-R54 PolarHBondContact O-N 2.9Å; S52-R54 VanDerWaalsContact O-N 3.16Å; R54-G58 PolarHBondContact O-N 2.84Å; R54-G58 VanDerWaalsContact O-N 3.17Å; R54-F91 HydrophobicContact CB-CD1 4.48Å; R54-F91 HydrophobicContact CB-CD2 4.34Å; R54-F91 HydrophobicContact CB-CE1 3.95Å; R54-F91 HydrophobicContact CB-CE2 3.77Å; R54-F91 HydrophobicContact CB-CZ 3.58Å; R54-F91 HydrophobicContact CG-CD1 4.08Å; R54-F91 HydrophobicContact CG-CE1 3.82Å; R54-F91 HydrophobicContact CG-CE2 4.4Å; R54-F91 HydrophobicContact CG-CZ 4.01Å
55	R	59.5	Low	64.9	Low	209 Å²	209	102.1 Å²	102.1	79%	0.789	51%	0.512	S	S	*	.	H	α-helix	trans	-75.5	-43.4	172.7	-63.1	-176.8	177	-172.9	-4.6	111.5	S52 A53 Y57 G58 E59	S52-R55 WeakPolarHBondContact O-CB 3.46Å; S52-R55 PolarHBondContact O-N 3.4Å; S52-R55 VanDerWaalsContact O-N 3.09Å; A53-R55 PolarHBondContact O-N 3.45Å; R55-Y57 VanDerWaalsContact C-N 3.25Å; R55-Y57 PolarHBondContact O-N 3.17Å; R55-G58 CarbonylContact O-C 3.58Å; R55-G58 WeakPolarHBondContact O-CA 3.48Å; R55-G58 PolarHBondContact O-N 2.66Å; R55-E59 PolarHBondContact O-N 2.64Å; R55-E59 VanDerWaalsContact O-N 3.15Å
56	I	57.2	Low	63.6	Low	121 Å²	121	101.3 Å²	101.3	62%	0.621	51%	0.509	S	S	*	.	H	α-helix	trans	-67.3	-26.4	178.2	-51.9	173.4	0	0	0	111.7	A53	A53-I56 PolarHBondContact O-N 2.6Å; A53-I56 VanDerWaalsContact O-N 3.11Å
57	Y	53.1	Low	61.4	Low	131 Å²	131	98.9 Å²	98.9	51%	0.514	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	5	169.1	-69.7	-74.9	0	0	0	113.8	A53 R55 R89 F91	A53-Y57 VanDerWaalsContact O-CD2 3.3Å; A53-Y57 WeakPolarHBondContact O-CD2 3.38Å; A53-Y57 PolarHBondContact O-N 2.78Å; R55-Y57 VanDerWaalsContact C-N 3.25Å; R55-Y57 PolarHBondContact O-N 3.17Å; Y57-R89 WeakPolarHBondContact CE1-O 3.36Å; Y57-F91 HydrophobicContact CD2-CB 4.47Å; Y57-F91 AromaticContact CD2-CD2 3.95Å; Y57-F91 HydrophobicContact CD2-CD2 3.95Å
58	G	50.4	Low	59.7	Low	60 Å²	60	98.7 Å²	98.7	62%	0.619	55%	0.545	S	S	*	.	S	Bend	trans	-112.3	9.7	172.4	0	0	0	0	0	112.6	R54 R55	R54-G58 PolarHBondContact O-N 2.84Å; R54-G58 VanDerWaalsContact O-N 3.17Å; R55-G58 CarbonylContact O-C 3.58Å; R55-G58 WeakPolarHBondContact O-CA 3.48Å; R55-G58 PolarHBondContact O-N 2.66Å
59	E	43.5	Very low	57.9	Low	151 Å²	151	97.6 Å²	97.6	71%	0.706	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	115.9	174.2	-175.3	167.8	-129.8	0	0	103.4	R55	R55-E59 PolarHBondContact O-N 2.64Å; R55-E59 VanDerWaalsContact O-N 3.15Å
60	E	43.6	Very low	56.1	Low	118 Å²	118	101.3 Å²	101.3	55%	0.551	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	cis	-132.9	98.3	26.1	-177.4	-169.1	-172.6	0	0	111.4	T62 K73	E60-T62 HydrophobicContact CG-CG2 3.7Å; E60-T62 PolarHBondContact O-N 2.95Å; E60-T62 VanDerWaalsContact O-N 3.08Å; E60-T62 WeakPolarHBondContact OE1-CG2 3.49Å; E60-K73 IonicContact OE1-NZ 2.87Å; E60-K73 PolarHBondContact OE1-NZ 3.36Å; E60-K73 IonicContact OE2-NZ 2.64Å; E60-K73 PolarHBondContact OE2-NZ 2.73Å
61	E	46.2	Very low	54.3	Low	186 Å²	186	110.9 Å²	110.9	87%	0.869	61%	0.606	S	S	*	*			trans	-81.5	62.5	161.4	-165.3	176.2	-178	0	0	109.5
62	T	52.4	Low	53.4	Low	66 Å²	66	108.7 Å²	108.7	41%	0.405	60%	0.603	S	S	.	*			trans	-60.1	128.4	158.1	38.2	0	0	0	0	107.5	E60 E64 K73	E60-T62 HydrophobicContact CG-CG2 3.7Å; E60-T62 PolarHBondContact O-N 2.95Å; E60-T62 VanDerWaalsContact O-N 3.08Å; E60-T62 WeakPolarHBondContact OE1-CG2 3.49Å; T62-E64 PolarHBondContact O-N 2.84Å; T62-K73 PolarHBondContact OG1-NZ 2.59Å
63	P	52.9	Low	53.1	Low	84 Å²	84	107.9 Å²	107.9	55%	0.545	59%	0.592	S	S	.	*			trans	-57.6	125.3	-176.5	23	-33.3	0	0	0	109.9	S65	P63-S65 PolarHBondContact O-N 3.31Å
64	E	51.3	Low	53	Low	143 Å²	143	112.6 Å²	112.6	67%	0.668	61%	0.608	S	S	*	*	S	Bend	trans	-59.9	-21.7	-174.1	-175.7	165.7	152.1	0	0	112.8	T62 K74	T62-E64 PolarHBondContact O-N 2.84Å; E64-K74 HydrophobicContact CG-CD 4.43Å; E64-K74 WeakPolarHBondContact OE1-CD 3.26Å; E64-K74 IonicContact OE1-NZ 2.71Å; E64-K74 PolarHBondContact OE1-NZ 2.88Å; E64-K74 IonicContact OE2-NZ 3.18Å; E64-K74 PolarHBondContact OE2-NZ 3.21Å
65	S	43.2	Very low	53.1	Low	105 Å²	105	112 Å²	112	73%	0.734	61%	0.613	S	S	*	*	S	Bend	trans	-134.2	116.8	169.3	58.5	0	0	0	0	110.4	P63	P63-S65 PolarHBondContact O-N 3.31Å
66	G	62.9	Low	53.5	Low	38 Å²	38	109.7 Å²	109.7	39%	0.392	60%	0.604	S	S	.	*	S	Bend	trans	179.4	171.2	174.8	0	0	0	0	0	113.4	G68 S69	G66-G68 PolarHBondContact O-N 3.33Å; G66-S69 PolarHBondContact N-OG 3.29Å; G66-S69 VanDerWaalsContact N-OG 3.13Å; G66-S69 PolarHBondContact O-N 3.12Å; G66-S69 PolarHBondContact O-OG 3.39Å
67	A	45.5	Very low	53.8	Low	122 Å²	122	109 Å²	109	100%	1.008	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	106.1	172.2	0	0	0	0	0	109.5
68	G	53.1	Low	54.3	Low	79 Å²	79	106.8 Å²	106.8	81%	0.814	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	115.6	-7.7	-172.1	0	0	0	0	0	115.2	G66 E70	G66-G68 PolarHBondContact O-N 3.33Å; G68-E70 PolarHBondContact O-N 2.76Å
69	S	52.9	Low	54.8	Low	48 Å²	48	106.1 Å²	106.1	34%	0.336	58%	0.581	S	S	.	*			trans	-76.6	104.7	173	63.6	0	0	0	0	110.8	G66 F71	G66-S69 PolarHBondContact N-OG 3.29Å; G66-S69 VanDerWaalsContact N-OG 3.13Å; G66-S69 PolarHBondContact O-N 3.12Å; G66-S69 PolarHBondContact O-OG 3.39Å; S69-F71 PolarHBondContact O-N 3.2Å
70	E	51.8	Low	55.7	Low	125 Å²	125	106.3 Å²	106.3	58%	0.584	58%	0.575	S	S	*	*			trans	-57.7	119.7	175.5	-77.7	-167.2	153.4	0	0	111.8	G68 G72 K73	G68-E70 PolarHBondContact O-N 2.76Å; E70-G72 PolarHBondContact O-N 2.88Å; E70-K73 HydrophobicContact CB-CB 4.01Å; E70-K73 VanDerWaalsContact O-CB 3.3Å; E70-K73 WeakPolarHBondContact O-CB 3.47Å; E70-K73 PolarHBondContact O-N 3.03Å
71	F	42.9	Very low	56.7	Low	214 Å²	214	106.1 Å²	106.1	94%	0.939	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	124.9	177.8	-175.8	-99.6	0	0	0	110.9	S69	S69-F71 PolarHBondContact O-N 3.2Å
72	G	60.3	Low	57.6	Low	32 Å²	32	104.6 Å²	104.6	33%	0.33	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	81	1.2	-177.4	0	0	0	0	0	115.9	E70 K74 Q75 R76	E70-G72 PolarHBondContact O-N 2.88Å; G72-K74 VanDerWaalsContact C-N 3.29Å; G72-K74 PolarHBondContact O-N 2.85Å; G72-Q75 PolarHBondContact O-N 2.77Å; G72-Q75 VanDerWaalsContact O-N 3.15Å; G72-R76 WeakPolarHBondContact O-CB 3.44Å; G72-R76 PolarHBondContact O-N 3.36Å
73	K	65.8	Low	58.2	Low	47 Å²	47	110 Å²	110	20%	0.204	58%	0.578	C	S	.	*	H	α-helix	trans	-48.4	-51	174.4	-178.2	-179.5	175	-171.9	0	111.2	E60 T62 E70 Q75 R76 E77	E60-K73 IonicContact OE1-NZ 2.87Å; E60-K73 PolarHBondContact OE1-NZ 3.36Å; E60-K73 IonicContact OE2-NZ 2.64Å; E60-K73 PolarHBondContact OE2-NZ 2.73Å; T62-K73 PolarHBondContact OG1-NZ 2.59Å; E70-K73 HydrophobicContact CB-CB 4.01Å; E70-K73 VanDerWaalsContact O-CB 3.3Å; E70-K73 WeakPolarHBondContact O-CB 3.47Å; E70-K73 PolarHBondContact O-N 3.03Å; K73-Q75 PolarHBondContact O-N 3.18Å; K73-R76 PolarHBondContact O-N 2.93Å; K73-E77 WeakPolarHBondContact O-CB 3.2Å; K73-E77 PolarHBondContact O-N 3.26Å
74	K	62.6	Low	58.4	Low	121 Å²	121	112.9 Å²	112.9	53%	0.526	58%	0.582	S	S	.	*	H	α-helix	trans	-54.9	-46.7	179.1	-171.1	165.6	177	173	0	113.2	E64 G72 E78	E64-K74 HydrophobicContact CG-CD 4.43Å; E64-K74 WeakPolarHBondContact OE1-CD 3.26Å; E64-K74 IonicContact OE1-NZ 2.71Å; E64-K74 PolarHBondContact OE1-NZ 2.88Å; E64-K74 IonicContact OE2-NZ 3.18Å; E64-K74 PolarHBondContact OE2-NZ 3.21Å; G72-K74 VanDerWaalsContact C-N 3.29Å; G72-K74 PolarHBondContact O-N 2.85Å; K74-E78 VanDerWaalsContact O-CB 3.23Å; K74-E78 WeakPolarHBondContact O-CB 3.4Å; K74-E78 PolarHBondContact O-N 2.85Å
75	Q	63.9	Low	58.4	Low	152 Å²	152	108.7 Å²	108.7	71%	0.71	58%	0.577	S	S	*	*	H	α-helix	trans	-70.4	-41.6	176.7	-75.2	-174.4	-10.4	0	0	112.8	G72 K73 E77 E78 A79	G72-Q75 PolarHBondContact O-N 2.77Å; G72-Q75 VanDerWaalsContact O-N 3.15Å; K73-Q75 PolarHBondContact O-N 3.18Å; Q75-E77 VanDerWaalsContact C-N 3.31Å; Q75-E77 PolarHBondContact O-N 2.89Å; Q75-E78 PolarHBondContact O-N 3Å; Q75-A79 WeakPolarHBondContact O-CB 3.35Å; Q75-A79 PolarHBondContact O-N 3.41Å
76	R	67.1	Low	59.3	Low	161 Å²	161	108.4 Å²	108.4	61%	0.608	57%	0.566	S	S	*	*	H	α-helix	trans	-63.2	-39.5	177.7	-175.8	-177.1	-71.4	164.7	-4.2	111.2	G72 K73 R80	G72-R76 WeakPolarHBondContact O-CB 3.44Å; G72-R76 PolarHBondContact O-N 3.36Å; K73-R76 PolarHBondContact O-N 2.93Å; R76-R80 WeakPolarHBondContact O-CG 3.34Å; R76-R80 PolarHBondContact O-N 3.11Å
77	E	65.1	Low	59	Low	105 Å²	105	112.4 Å²	112.4	49%	0.491	58%	0.583	S	S	.	*	H	α-helix	trans	-75.4	-40.4	178.3	-175.4	153.4	-131.9	0	0	112.2	K73 Q75 A79 R80 R81	K73-E77 WeakPolarHBondContact O-CB 3.2Å; K73-E77 PolarHBondContact O-N 3.26Å; Q75-E77 VanDerWaalsContact C-N 3.31Å; Q75-E77 PolarHBondContact O-N 2.89Å; E77-A79 VanDerWaalsContact C-N 3.34Å; E77-R80 CarbonylContact O-C 3.52Å; E77-R80 PolarHBondContact O-N 2.74Å; E77-R81 WeakPolarHBondContact O-CB 3.36Å; E77-R81 PolarHBondContact O-N 2.94Å
78	E	63.9	Low	59.8	Low	86 Å²	86	110.4 Å²	110.4	40%	0.402	56%	0.558	S	S	.	*	H	α-helix	trans	-64.3	-39.2	171.6	-164	-166.7	147.1	0	0	111.5	K74 Q75 R81 K82	K74-E78 VanDerWaalsContact O-CB 3.23Å; K74-E78 WeakPolarHBondContact O-CB 3.4Å; K74-E78 PolarHBondContact O-N 2.85Å; Q75-E78 PolarHBondContact O-N 3Å; E78-R81 WeakPolarHBondContact O-CB 3.38Å; E78-R81 PolarHBondContact O-N 2.85Å; E78-K82 HydrophobicContact CG-CD 4.37Å; E78-K82 WeakPolarHBondContact O-CB 3.5Å; E78-K82 WeakPolarHBondContact O-CG 3.45Å; E78-K82 PolarHBondContact O-N 3.27Å; E78-K82 WeakPolarHBondContact OE1-CE 3.07Å; E78-K82 IonicContact OE1-NZ 2.69Å; E78-K82 PolarHBondContact OE1-NZ 3.46Å
79	A	60	Low	60.4	Low	46 Å²	46	116 Å²	116	38%	0.38	56%	0.555	S	S	.	*	H	α-helix	trans	-64.9	-40.5	172.8	0	0	0	0	0	112	Q75 E77 K83	Q75-A79 WeakPolarHBondContact O-CB 3.35Å; Q75-A79 PolarHBondContact O-N 3.41Å; E77-A79 VanDerWaalsContact C-N 3.34Å; A79-K83 WeakPolarHBondContact O-CB 3.48Å; A79-K83 WeakPolarHBondContact O-CG 3.39Å; A79-K83 PolarHBondContact O-N 2.91Å
80	R	62.3	Low	61.2	Low	155 Å²	155	120.3 Å²	120.3	59%	0.585	57%	0.57	S	S	*	*	H	α-helix	trans	-62.4	-45	169.7	-80.5	-178.8	65.6	152.5	-2.5	111.3	R76 E77 K82 K83 F84	R76-R80 WeakPolarHBondContact O-CG 3.34Å; R76-R80 PolarHBondContact O-N 3.11Å; E77-R80 CarbonylContact O-C 3.52Å; E77-R80 PolarHBondContact O-N 2.74Å; R80-K82 VanDerWaalsContact C-N 3.32Å; R80-K82 PolarHBondContact O-N 3.5Å; R80-K83 PolarHBondContact O-N 3.2Å; R80-F84 HydrophobicContact CB-CD2 4.15Å; R80-F84 HydrophobicContact CG-CD2 4.42Å; R80-F84 HydrophobicContact CG-CE2 4.3Å; R80-F84 WeakPolarHBondContact O-CB 3.43Å; R80-F84 VanDerWaalsContact O-CD2 3.3Å; R80-F84 WeakPolarHBondContact O-CD2 3.23Å; R80-F84 PolarHBondContact O-N 3.47Å
81	R	64.1	Low	62.2	Low	113 Å²	113	116.7 Å²	116.7	43%	0.426	55%	0.552	S	S	.	*	H	α-helix	trans	-60.1	-41.3	179.3	-177.5	178.1	175.9	137.4	0.4	111.8	E77 E78 G85 I86 T88	E77-R81 WeakPolarHBondContact O-CB 3.36Å; E77-R81 PolarHBondContact O-N 2.94Å; E78-R81 WeakPolarHBondContact O-CB 3.38Å; E78-R81 PolarHBondContact O-N 2.85Å; R81-G85 WeakPolarHBondContact O-CA 3.45Å; R81-G85 PolarHBondContact O-N 3.15Å; R81-I86 HydrophobicContact CG-CB 4.28Å; R81-I86 WeakPolarHBondContact CG-O 3.2Å; R81-I86 PolarHBondContact NE-O 3.37Å; R81-I86 PolarHBondContact O-N 3.37Å; R81-I86 VanDerWaalsContact O-N 3.11Å; R81-T88 VanDerWaalsContact NH1-CG2 3.32Å; R81-T88 PolarHBondContact NH2-OG1 2.78Å
82	K	66.5	Low	64	Low	154 Å²	154	111.6 Å²	111.6	67%	0.67	53%	0.529	S	S	*	.	H	α-helix	trans	-68	-43.8	172.2	-75	168.5	168.5	170.9	0	112.2	E78 R80	E78-K82 HydrophobicContact CG-CD 4.37Å; E78-K82 WeakPolarHBondContact O-CB 3.5Å; E78-K82 WeakPolarHBondContact O-CG 3.45Å; E78-K82 PolarHBondContact O-N 3.27Å; E78-K82 WeakPolarHBondContact OE1-CE 3.07Å; E78-K82 IonicContact OE1-NZ 2.69Å; E78-K82 PolarHBondContact OE1-NZ 3.46Å; R80-K82 VanDerWaalsContact C-N 3.32Å; R80-K82 PolarHBondContact O-N 3.5Å
83	K	63.1	Low	64.9	Low	181 Å²	181	113.6 Å²	113.6	79%	0.787	54%	0.535	S	S	*	.	H	α-helix	trans	-70.7	-32.3	178.2	-76.8	-176.4	175.7	-175.4	0	114.6	A79 R80	A79-K83 WeakPolarHBondContact O-CB 3.48Å; A79-K83 WeakPolarHBondContact O-CG 3.39Å; A79-K83 PolarHBondContact O-N 2.91Å; R80-K83 PolarHBondContact O-N 3.2Å
84	F	57.3	Low	65.6	Low	144 Å²	144	116.2 Å²	116.2	63%	0.632	55%	0.548	S	S	*	.	H	α-helix	trans	-103.2	0.2	-177.9	-70.4	-72.6	0	0	0	113.9	R80 I86	R80-F84 HydrophobicContact CB-CD2 4.15Å; R80-F84 HydrophobicContact CG-CD2 4.42Å; R80-F84 HydrophobicContact CG-CE2 4.3Å; R80-F84 WeakPolarHBondContact O-CB 3.43Å; R80-F84 VanDerWaalsContact O-CD2 3.3Å; R80-F84 WeakPolarHBondContact O-CD2 3.23Å; R80-F84 PolarHBondContact O-N 3.47Å; F84-I86 VanDerWaalsContact C-N 3.32Å; F84-I86 HydrophobicContact CB-CD1 4.02Å; F84-I86 HydrophobicContact CB-CG1 3.89Å; F84-I86 PolarHBondContact O-N 3.47Å
85	G	52.8	Low	66.6	Low	55 Å²	55	114 Å²	114	57%	0.567	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	31.8	176.7	0	0	0	0	0	114.4	R81 V87	R81-G85 WeakPolarHBondContact O-CA 3.45Å; R81-G85 PolarHBondContact O-N 3.15Å; G85-V87 PolarHBondContact O-N 2.87Å
86	I	60.9	Low	67.6	Low	98 Å²	98	107.9 Å²	107.9	50%	0.503	51%	0.513	S	S	.	.			trans	-76.8	90.6	-173.4	-57.1	175.3	0	0	0	109.8	R81 F84 T88	R81-I86 HydrophobicContact CG-CB 4.28Å; R81-I86 WeakPolarHBondContact CG-O 3.2Å; R81-I86 PolarHBondContact NE-O 3.37Å; R81-I86 PolarHBondContact O-N 3.37Å; R81-I86 VanDerWaalsContact O-N 3.11Å; F84-I86 VanDerWaalsContact C-N 3.32Å; F84-I86 HydrophobicContact CB-CD1 4.02Å; F84-I86 HydrophobicContact CB-CG1 3.89Å; F84-I86 PolarHBondContact O-N 3.47Å; I86-T88 PolarHBondContact O-N 3.28Å
87	V	56.7	Low	68.7	Low	123 Å²	123	101.4 Å²	101.4	75%	0.745	49%	0.492	S	S	*	.			trans	-75.1	111	170.9	-179	0	0	0	0	109.1	G85 R89	G85-V87 PolarHBondContact O-N 2.87Å; V87-R89 PolarHBondContact O-N 3.33Å; V87-R89 VanDerWaalsContact O-N 3.17Å
88	T	62.3	Low	70	Confident	79 Å²	79	99 Å²	99	49%	0.485	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-62.7	116.4	166.2	46.9	0	0	0	0	109.2	R81 I86	R81-T88 VanDerWaalsContact NH1-CG2 3.32Å; R81-T88 PolarHBondContact NH2-OG1 2.78Å; I86-T88 PolarHBondContact O-N 3.28Å
89	R	65.4	Low	71.3	Confident	197 Å²	197	96.4 Å²	96.4	74%	0.743	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-75.2	124.4	165.6	-74.5	-177.3	170.9	141.2	-0.9	108.7	Y57 V87	Y57-R89 WeakPolarHBondContact CE1-O 3.36Å; V87-R89 PolarHBondContact O-N 3.33Å; V87-R89 VanDerWaalsContact O-N 3.17Å
90	E	69.8	Low	72.8	Confident	139 Å²	139	94.5 Å²	94.5	65%	0.65	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-60.4	143.7	174.9	-58.3	164.7	148.3	0	0	110.7	K92	E90-K92 VanDerWaalsContact C-N 3.3Å; E90-K92 HydrophobicContact CB-CG 4.47Å; E90-K92 PolarHBondContact O-N 3.13Å; E90-K92 WeakPolarHBondContact OE2-CE 3.34Å; E90-K92 IonicContact OE2-NZ 3.9Å; E90-K92 PolarHBondContact OE2-NZ 2.85Å
91	F	74.1	Confident	74.2	Confident	49 Å²	49	90.5 Å²	90.5	22%	0.215	44%	0.438	C	S	.	.			trans	-72.9	80.4	177.3	180	-100.5	0	0	0	111.4	M51 A53 R54 Y57 V93 Q96	M51-F91 HydrophobicContact CE-CE1 3.82Å; M51-F91 HydrophobicContact CE-CZ 3.9Å; M51-F91 HydrophobicContact SD-CE1 4.48Å; M51-F91 HydrophobicContact SD-CZ 4.07Å; A53-F91 HydrophobicContact CB-CE2 4.25Å; R54-F91 HydrophobicContact CB-CD1 4.48Å; R54-F91 HydrophobicContact CB-CD2 4.34Å; R54-F91 HydrophobicContact CB-CE1 3.95Å; R54-F91 HydrophobicContact CB-CE2 3.77Å; R54-F91 HydrophobicContact CB-CZ 3.58Å; R54-F91 HydrophobicContact CG-CD1 4.08Å; R54-F91 HydrophobicContact CG-CE1 3.82Å; R54-F91 HydrophobicContact CG-CE2 4.4Å; R54-F91 HydrophobicContact CG-CZ 4.01Å; Y57-F91 HydrophobicContact CD2-CB 4.47Å; Y57-F91 AromaticContact CD2-CD2 3.95Å; Y57-F91 HydrophobicContact CD2-CD2 3.95Å; F91-V93 HydrophobicContact CD1-CG2 4.39Å; F91-V93 HydrophobicContact CE1-CG2 3.91Å; F91-V93 PolarHBondContact O-N 3.24Å; F91-Q96 HydrophobicContact CD2-CG 4.49Å; F91-Q96 HydrophobicContact CE2-CG 3.64Å; F91-Q96 HydrophobicContact CZ-CG 3.67Å
92	K	79.7	Confident	75.5	Confident	106 Å²	106	85.2 Å²	85.2	46%	0.461	42%	0.418	S	S	.	.			trans	-79.2	114	177.4	-69.3	-177.3	179.4	171.2	0	110.7	E90 E94 D95 Q96	E90-K92 VanDerWaalsContact C-N 3.3Å; E90-K92 HydrophobicContact CB-CG 4.47Å; E90-K92 PolarHBondContact O-N 3.13Å; E90-K92 WeakPolarHBondContact OE2-CE 3.34Å; E90-K92 IonicContact OE2-NZ 3.9Å; E90-K92 PolarHBondContact OE2-NZ 2.85Å; K92-E94 VanDerWaalsContact C-N 3.28Å; K92-E94 PolarHBondContact O-N 3.46Å; K92-D95 HydrophobicContact CB-CB 4.16Å; K92-D95 WeakPolarHBondContact CB-OD2 3.45Å; K92-D95 PolarHBondContact O-N 2.9Å; K92-D95 VanDerWaalsContact O-N 3.12Å; K92-Q96 WeakPolarHBondContact O-CG 3.2Å; K92-Q96 PolarHBondContact O-N 2.91Å; K92-Q96 PolarHBondContact O-NE2 3.08Å
93	V	78.8	Confident	76.5	Confident	74 Å²	74	80.6 Å²	80.6	45%	0.448	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-61.7	-36.1	179	-176.7	0	0	0	0	111.5	R49 F91 D95 Q96	R49-V93 HydrophobicContact CG-CG1 4.47Å; R49-V93 PolarHBondContact NH1-O 3.02Å; F91-V93 HydrophobicContact CD1-CG2 4.39Å; F91-V93 HydrophobicContact CE1-CG2 3.91Å; F91-V93 PolarHBondContact O-N 3.24Å; V93-D95 PolarHBondContact O-N 2.81Å; V93-Q96 PolarHBondContact O-N 3.13Å
94	E	81.5	Confident	77.5	Confident	102 Å²	102	73.3 Å²	73.3	48%	0.477	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-68.3	-16.9	176.8	-70.6	-146	128.1	0	0	114.2	K25 R49 K92	K25-E94 VanDerWaalsContact NZ-CD 3.33Å; K25-E94 IonicContact NZ-OE1 2.65Å; K25-E94 PolarHBondContact NZ-OE1 3.45Å; K25-E94 IonicContact NZ-OE2 2.85Å; K25-E94 PolarHBondContact NZ-OE2 2.93Å; K25-E94 VanDerWaalsContact NZ-OE2 3.16Å; R49-E94 PolarHBondContact NH1-O 2.92Å; R49-E94 PolarHBondContact NH2-O 2.9Å; K92-E94 VanDerWaalsContact C-N 3.28Å; K92-E94 PolarHBondContact O-N 3.46Å
95	D	82.3	Confident	78.5	Confident	76 Å²	76	77 Å²	77	41%	0.406	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-99.5	-12	177	-70.3	-51	0	0	0	113.8	K92 V93 K114	K92-D95 HydrophobicContact CB-CB 4.16Å; K92-D95 WeakPolarHBondContact CB-OD2 3.45Å; K92-D95 PolarHBondContact O-N 2.9Å; K92-D95 VanDerWaalsContact O-N 3.12Å; V93-D95 PolarHBondContact O-N 2.81Å; D95-K114 IonicContact OD1-NZ 2.64Å; D95-K114 PolarHBondContact OD1-NZ 2.91Å
96	Q	86.3	Confident	79.6	Confident	22 Å²	22	78.3 Å²	78.3	10%	0.103	40%	0.398	C	S	.	.	S	Bend	trans	-63.1	138.7	177.4	-61	-45.2	-59.6	0	0	111.1	R49 F91 K92 V93	R49-Q96 WeakPolarHBondContact CD-O 3.45Å; R49-Q96 PolarHBondContact NH1-O 3.19Å; F91-Q96 HydrophobicContact CD2-CG 4.49Å; F91-Q96 HydrophobicContact CE2-CG 3.64Å; F91-Q96 HydrophobicContact CZ-CG 3.67Å; K92-Q96 WeakPolarHBondContact O-CG 3.2Å; K92-Q96 PolarHBondContact O-N 2.91Å; K92-Q96 PolarHBondContact O-NE2 3.08Å; V93-Q96 PolarHBondContact O-N 3.13Å
97	P	90.3	Very high	80.6	Confident	25 Å²	25	74.2 Å²	74.2	16%	0.162	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-62.4	152.1	179.5	24.2	-29.9	0	0	0	111	D50 K111 G112 I113	D50-P97 HydrophobicContact CB-CG 3.86Å; D50-P97 WeakPolarHBondContact CB-O 3.26Å; D50-P97 PolarHBondContact N-O 2.64Å; P97-K111 HydrophobicContact CB-CG 4.31Å; P97-K111 VanDerWaalsContact CG-CE 3.46Å; P97-G112 CarbonylContact C-O 3.58Å; P97-G112 VanDerWaalsContact CA-O 3.3Å; P97-G112 WeakPolarHBondContact CA-O 3.39Å; P97-G112 WeakPolarHBondContact CB-O 3.39Å; P97-I113 HydrophobicContact CB-CG1 4.46Å
98	W	91.7	Very high	82.1	Confident	55 Å²	55	72 Å²	72	21%	0.208	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	145.1	174.7	-66.8	104.4	0	0	0	110.7	M47 R49 K111 G112 Y144 F146	M47-W98 HydrophobicContact CG-CB 4.36Å; M47-W98 HydrophobicContact CG-CD2 3.95Å; M47-W98 HydrophobicContact CG-CE3 3.43Å; M47-W98 VanDerWaalsContact CG-CE3 3.43Å; M47-W98 HydrophobicContact CG-CG 4.38Å; M47-W98 HydrophobicContact CG-CZ3 3.92Å; M47-W98 HydrophobicContact SD-CD2 3.71Å; M47-W98 HydrophobicContact SD-CE3 3.67Å; M47-W98 HydrophobicContact SD-CG 4.14Å; M47-W98 HydrophobicContact SD-CH2 4.35Å; M47-W98 HydrophobicContact SD-CZ2 4.42Å; M47-W98 HydrophobicContact SD-CZ3 4Å; R49-W98 HydrophobicContact CG-CE3 4Å; R49-W98 HydrophobicContact CG-CH2 4.31Å; R49-W98 HydrophobicContact CG-CZ3 3.83Å; R49-W98 VanDerWaalsContact CZ-CZ2 3.49Å; R49-W98 VanDerWaalsContact NE-CH2 3.34Å; W98-K111 CarbonylContact O-C 3.55Å; W98-K111 WeakPolarHBondContact O-CA 3.41Å; W98-G112 PolarHBondContact N-O 2.57Å; W98-G112 PolarHBondContact O-N 3.15Å; W98-Y144 AromaticContact CD1-CD1 3.42Å; W98-Y144 VanDerWaalsContact CD1-CD1 3.42Å; W98-Y144 AromaticContact CD1-CE1 3.45Å; W98-Y144 VanDerWaalsContact CD1-CE1 3.45Å; W98-Y144 AromaticContact CD1-CG 3.82Å; W98-Y144 AromaticContact CD1-CZ 3.9Å; W98-Y144 AromaticContact NE1-CD1 3.81Å; W98-Y144 AromaticContact NE1-CE1 3.39Å; W98-Y144 AromaticContact NE1-CE2 3.76Å; W98-Y144 AromaticContact NE1-CZ 3.37Å; W98-F146 HydrophobicContact CB-CE1 3.98Å; W98-F146 HydrophobicContact CB-CZ 3.84Å; W98-F146 HydrophobicContact CG-CZ 4.39Å
99	I	91.9	Very high	83.4	Confident	32 Å²	32	72.4 Å²	72.4	16%	0.164	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.3	163.8	-63.3	175.2	0	0	0	107.6	M47 E48 D50 K101	M47-I99 WeakPolarHBondContact CA-O 3.4Å; E48-I99 PolarHBondContact N-O 2.87Å; E48-I99 PolarHBondContact O-N 2.9Å; D50-I99 HydrophobicContact CB-CD1 3.86Å; D50-I99 HydrophobicContact CB-CG1 3.94Å; I99-K101 HydrophobicContact CG2-CG 4Å
100	L	91.4	Very high	84.6	Confident	5 Å²	5	63 Å²	63	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	114.5	173.1	-178.4	68.7	0	0	0	109	M29 F31 W42 A45 R46 M47 V102 R109 F110 F146	M29-L100 HydrophobicContact CE-CD2 4.15Å; M29-L100 HydrophobicContact SD-CD2 4.43Å; F31-L100 HydrophobicContact CZ-CD2 4.04Å; W42-L100 HydrophobicContact CH2-CD2 3.7Å; W42-L100 HydrophobicContact CZ3-CD2 3.99Å; A45-L100 HydrophobicContact CB-CD1 4.18Å; R46-L100 WeakPolarHBondContact O-CA 3.21Å; M47-L100 HydrophobicContact CB-CD1 4.17Å; M47-L100 HydrophobicContact CE-CD1 4.36Å; L100-V102 HydrophobicContact CD2-CG2 4.05Å; L100-V102 HydrophobicContact CG-CG2 3.9Å; L100-R109 CarbonylContact O-C 3.56Å; L100-R109 WeakPolarHBondContact O-CA 3.3Å; L100-F110 HydrophobicContact CB-CB 4.3Å; L100-F110 HydrophobicContact CD2-CD2 4.21Å; L100-F110 PolarHBondContact N-O 2.81Å; L100-F110 PolarHBondContact O-N 2.97Å; L100-F146 HydrophobicContact CB-CD1 4.2Å; L100-F146 HydrophobicContact CB-CE1 3.86Å
101	K	91.4	Very high	85.7	Confident	72 Å²	72	59.5 Å²	59.5	31%	0.313	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	102.3	176.2	-56.3	172.5	-167.8	163.8	0	108.3	A45 R46 E48 I99	A45-K101 WeakPolarHBondContact CA-O 3.41Å; R46-K101 HydrophobicContact CB-CB 4.49Å; R46-K101 PolarHBondContact N-O 3.44Å; R46-K101 PolarHBondContact O-N 3.34Å; E48-K101 IonicContact OE1-NZ 3.16Å; E48-K101 PolarHBondContact OE1-NZ 3.17Å; E48-K101 WeakPolarHBondContact OE2-CE 3.42Å; E48-K101 IonicContact OE2-NZ 2.76Å; E48-K101 PolarHBondContact OE2-NZ 3.35Å; I99-K101 HydrophobicContact CG2-CG 4Å
102	V	91.6	Very high	86.6	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.8	179	-179.9	0	0	0	0	109.4	W42 L100 G104 G107 K108 F110	W42-V102 HydrophobicContact CB-CG1 3.97Å; W42-V102 VanDerWaalsContact CD1-CG1 3.42Å; W42-V102 HydrophobicContact CD2-CG1 3.74Å; W42-V102 HydrophobicContact CD2-CG2 4.02Å; W42-V102 HydrophobicContact CE3-CG2 4.22Å; W42-V102 HydrophobicContact CG-CG1 3.44Å; W42-V102 VanDerWaalsContact CG-CG1 3.44Å; W42-V102 HydrophobicContact CH2-CG2 4.1Å; W42-V102 HydrophobicContact CZ2-CG2 3.87Å; W42-V102 HydrophobicContact CZ3-CG2 4.28Å; L100-V102 HydrophobicContact CD2-CG2 4.05Å; L100-V102 HydrophobicContact CG-CG2 3.9Å; V102-G104 PolarHBondContact O-N 3.07Å; V102-G107 CarbonylContact O-C 3.57Å; V102-G107 VanDerWaalsContact O-C 3.3Å; V102-G107 WeakPolarHBondContact O-CA 3.35Å; V102-K108 HydrophobicContact CB-CB 4.38Å; V102-K108 WeakPolarHBondContact CB-O 3.3Å; V102-K108 PolarHBondContact N-O 2.78Å; V102-K108 PolarHBondContact O-N 3.04Å; V102-F110 HydrophobicContact CG2-CD2 4.16Å; V102-F110 HydrophobicContact CG2-CE2 3.94Å
103	N	87.8	Confident	87.1	Confident	56 Å²	56	56.7 Å²	56.7	30%	0.299	29%	0.291	S	S	.	.	S	Bend	trans	55.6	45.3	177.5	-59.7	-4.9	0	0	0	113.5	S41 T43 Q44 G107	S41-N103 PolarHBondContact O-ND2 3.11Å; T43-N103 PolarHBondContact N-OD1 3.19Å; T43-N103 PolarHBondContact OG1-OD1 3.16Å; Q44-N103 PolarHBondContact N-OD1 3.47Å; Q44-N103 PolarHBondContact O-N 3.36Å; Q44-N103 PolarHBondContact O-OD1 2.88Å; N103-G107 WeakPolarHBondContact O-CA 3.15Å; N103-G107 PolarHBondContact O-N 2.79Å
104	G	82.9	Confident	87.6	Confident	28 Å²	28	56.9 Å²	56.9	29%	0.289	29%	0.286	S	S	.	.	S	Bend	trans	72.4	-166.4	170.8	0	0	0	0	0	115.7	V102 A106 G107	V102-G104 PolarHBondContact O-N 3.07Å; G104-A106 VanDerWaalsContact C-N 3.25Å; G104-A106 PolarHBondContact O-N 3.39Å; G104-G107 PolarHBondContact O-N 3.31Å; G104-G107 VanDerWaalsContact O-N 3.14Å
105	K	78.2	Confident	87.9	Confident	223 Å²	223	56.5 Å²	56.5	97%	0.97	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-31.5	-176.9	-168.1	178.3	-179.4	-176.2	0	112.8
106	A	76.7	Confident	88	Confident	81 Å²	81	56 Å²	56	67%	0.669	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-9	178.5	0	0	0	0	0	114.1	G104 K151	G104-A106 VanDerWaalsContact C-N 3.25Å; G104-A106 PolarHBondContact O-N 3.39Å; A106-K151 WeakPolarHBondContact O-CE 3.43Å; A106-K151 PolarHBondContact O-NZ 2.83Å
107	G	82.8	Confident	87.7	Confident	12 Å²	12	56.8 Å²	56.8	12%	0.124	31%	0.309	C	S	.	.	S	Bend	trans	-87.3	-162.1	-175.2	0	0	0	0	0	114.7	V102 N103 G104 K151	V102-G107 CarbonylContact O-C 3.57Å; V102-G107 VanDerWaalsContact O-C 3.3Å; V102-G107 WeakPolarHBondContact O-CA 3.35Å; N103-G107 WeakPolarHBondContact O-CA 3.15Å; N103-G107 PolarHBondContact O-N 2.79Å; G104-G107 PolarHBondContact O-N 3.31Å; G104-G107 VanDerWaalsContact O-N 3.14Å; G107-K151 WeakPolarHBondContact O-CE 3.3Å
108	K	86.9	Confident	86.8	Confident	76 Å²	76	56.3 Å²	56.3	33%	0.33	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	134.2	-178.1	-72.2	-169.8	173.4	-155.8	0	110.4	V102 F110 Q148	V102-K108 HydrophobicContact CB-CB 4.38Å; V102-K108 WeakPolarHBondContact CB-O 3.3Å; V102-K108 PolarHBondContact N-O 2.78Å; V102-K108 PolarHBondContact O-N 3.04Å; K108-F110 HydrophobicContact CB-CD2 4.37Å; K108-F110 HydrophobicContact CB-CE2 3.61Å; K108-F110 HydrophobicContact CB-CZ 4.09Å; K108-F110 HydrophobicContact CD-CE2 4.1Å; K108-F110 HydrophobicContact CD-CZ 3.74Å; K108-Q148 VanDerWaalsContact CD-OE1 3.27Å
109	R	89.4	Confident	85.9	Confident	88 Å²	88	57.5 Å²	57.5	33%	0.332	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.6	167.9	-63.5	-173.2	-61.4	-163.4	-1.3	109.5	L100 Q149 A150 K151	L100-R109 CarbonylContact O-C 3.56Å; L100-R109 WeakPolarHBondContact O-CA 3.3Å; R109-Q149 HydrophobicContact CB-CB 4.01Å; R109-Q149 PolarHBondContact O-N 3.41Å; R109-A150 PolarHBondContact NH2-O 2.98Å; R109-A150 VanDerWaalsContact NH2-O 3.11Å; R109-K151 PolarHBondContact NH2-O 3.03Å; R109-K151 VanDerWaalsContact NH2-O 3.07Å
110	F	91.4	Very high	85.3	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.6	170.6	-55.7	-101.2	0	0	0	110	F31 V37 W42 L100 V102 K108 F146 T147 Q148	F31-F110 HydrophobicContact CD1-CD1 4.15Å; F31-F110 HydrophobicContact CD1-CE1 4.24Å; F31-F110 AromaticContact CE1-CD1 3.87Å; F31-F110 HydrophobicContact CE1-CD1 3.87Å; F31-F110 HydrophobicContact CE1-CE1 4.13Å; F31-F110 HydrophobicContact CE1-CG 4.12Å; V37-F110 HydrophobicContact CG2-CE1 3.77Å; V37-F110 HydrophobicContact CG2-CZ 3.91Å; W42-F110 HydrophobicContact CZ2-CE2 4.08Å; W42-F110 HydrophobicContact CZ2-CZ 4.38Å; L100-F110 HydrophobicContact CB-CB 4.3Å; L100-F110 HydrophobicContact CD2-CD2 4.21Å; L100-F110 PolarHBondContact N-O 2.81Å; L100-F110 PolarHBondContact O-N 2.97Å; V102-F110 HydrophobicContact CG2-CD2 4.16Å; V102-F110 HydrophobicContact CG2-CE2 3.94Å; K108-F110 HydrophobicContact CB-CD2 4.37Å; K108-F110 HydrophobicContact CB-CE2 3.61Å; K108-F110 HydrophobicContact CB-CZ 4.09Å; K108-F110 HydrophobicContact CD-CE2 4.1Å; K108-F110 HydrophobicContact CD-CZ 3.74Å; F110-F146 HydrophobicContact CB-CB 4.31Å; F110-F146 HydrophobicContact CB-CD1 3.94Å; F110-T147 CarbonylContact C-O 3.58Å; F110-T147 WeakPolarHBondContact CA-O 3.33Å; F110-Q148 VanDerWaalsContact CD1-CA 3.48Å; F110-Q148 HydrophobicContact CD1-CB 3.8Å; F110-Q148 HydrophobicContact CD1-CG 4.08Å; F110-Q148 HydrophobicContact CE1-CB 3.73Å; F110-Q148 HydrophobicContact CE1-CG 3.79Å; F110-Q148 HydrophobicContact CZ-CG 4.24Å
111	K	91.8	Very high	85	Confident	65 Å²	65	70.4 Å²	70.4	28%	0.283	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.3	173.1	-175.9	158.9	175.3	160.3	0	109.4	D50 P97 W98 I113 F146 T147	D50-K111 VanDerWaalsContact OD2-CE 3.31Å; D50-K111 WeakPolarHBondContact OD2-CE 3.49Å; D50-K111 IonicContact OD2-NZ 2.6Å; D50-K111 PolarHBondContact OD2-NZ 3.14Å; P97-K111 HydrophobicContact CB-CG 4.31Å; P97-K111 VanDerWaalsContact CG-CE 3.46Å; W98-K111 CarbonylContact O-C 3.55Å; W98-K111 WeakPolarHBondContact O-CA 3.41Å; K111-I113 HydrophobicContact CG-CG1 4.42Å; K111-F146 WeakPolarHBondContact O-CA 3.27Å; K111-T147 PolarHBondContact N-O 3.15Å; K111-T147 PolarHBondContact O-N 2.98Å; K111-T147 VanDerWaalsContact O-N 3.09Å
112	G	92.9	Very high	84.8	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	102.5	-179.1	0	0	0	0	0	111.5	P97 W98 N145 F146	P97-G112 CarbonylContact C-O 3.58Å; P97-G112 VanDerWaalsContact CA-O 3.3Å; P97-G112 WeakPolarHBondContact CA-O 3.39Å; P97-G112 WeakPolarHBondContact CB-O 3.39Å; W98-G112 PolarHBondContact N-O 2.57Å; W98-G112 PolarHBondContact O-N 3.15Å; G112-N145 WeakPolarHBondContact CA-O 3.3Å; G112-F146 VanDerWaalsContact CA-CD1 3.42Å
113	I	90.5	Very high	84.7	Confident	96 Å²	96	73.7 Å²	73.7	49%	0.492	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130.1	179.5	-58.3	177	0	0	0	109.3	P97 K111 K115 Y144 N145	P97-I113 HydrophobicContact CB-CG1 4.46Å; K111-I113 HydrophobicContact CG-CG1 4.42Å; I113-K115 PolarHBondContact O-N 2.82Å; I113-Y144 WeakPolarHBondContact O-CA 3.4Å; I113-N145 PolarHBondContact N-O 2.89Å; I113-N145 PolarHBondContact O-N 2.56Å
114	K	90.2	Very high	84.9	Confident	78 Å²	78	76 Å²	76	34%	0.339	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	121.6	175.9	-169.2	174	176.7	178.9	0	109.3	D95 G116 Y144	D95-K114 IonicContact OD1-NZ 2.64Å; D95-K114 PolarHBondContact OD1-NZ 2.91Å; K114-G116 PolarHBondContact O-N 3.32Å; K114-Y144 HydrophobicContact CB-CD1 3.87Å; K114-Y144 HydrophobicContact CB-CE1 3.66Å; K114-Y144 HydrophobicContact CD-CE1 4.24Å; K114-Y144 HydrophobicContact CG-CD1 4.34Å; K114-Y144 HydrophobicContact CG-CE1 3.86Å
115	K	87.8	Confident	85.4	Confident	94 Å²	94	79.9 Å²	79.9	41%	0.409	43%	0.431	S	S	.	.			trans	-83.4	110.2	177.4	-173.8	-173	163.1	-159.5	0	108.3	I113 V118 W143	I113-K115 PolarHBondContact O-N 2.82Å; K115-V118 HydrophobicContact CB-CG2 3.82Å; K115-V118 HydrophobicContact CD-CG2 3.4Å; K115-V118 HydrophobicContact CG-CG2 3.48Å; K115-V118 VanDerWaalsContact CG-CG2 3.48Å; K115-V118 WeakPolarHBondContact O-CG2 3.18Å; K115-W143 HydrophobicContact CB-CB 4.35Å; K115-W143 HydrophobicContact CB-CG 4.26Å; K115-W143 HydrophobicContact CD-CG 4.22Å; K115-W143 PolarHBondContact N-O 2.98Å
116	G	84.4	Confident	86.1	Confident	65 Å²	65	71.5 Å²	71.5	67%	0.67	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	165.6	172.1	0	0	0	0	0	112.4	K114 V118	K114-G116 PolarHBondContact O-N 3.32Å; G116-V118 PolarHBondContact O-N 3.41Å; G116-V118 VanDerWaalsContact O-N 3.17Å
117	G	78.8	Confident	87	Confident	39 Å²	39	73.1 Å²	73.1	40%	0.402	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	-8	175.3	0	0	0	0	0	116.7	T119 E120	G117-T119 PolarHBondContact O-N 3.33Å; G117-E120 WeakPolarHBondContact CA-OE1 3.44Å
118	V	72.1	Confident	87.5	Confident	16 Å²	16	75.2 Å²	75.2	10%	0.097	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-34.7	-167.4	-179.9	0	0	0	0	113.2	K115 G116 Y124 W143	K115-V118 HydrophobicContact CB-CG2 3.82Å; K115-V118 HydrophobicContact CD-CG2 3.4Å; K115-V118 HydrophobicContact CG-CG2 3.48Å; K115-V118 VanDerWaalsContact CG-CG2 3.48Å; K115-V118 WeakPolarHBondContact O-CG2 3.18Å; G116-V118 PolarHBondContact O-N 3.41Å; G116-V118 VanDerWaalsContact O-N 3.17Å; V118-Y124 HydrophobicContact CG1-CD2 3.75Å; V118-Y124 HydrophobicContact CG1-CE2 3.52Å; V118-Y124 WeakPolarHBondContact O-CE2 3.39Å; V118-W143 HydrophobicContact CB-CB 4.29Å; V118-W143 HydrophobicContact CG1-CB 4.01Å; V118-W143 HydrophobicContact CG1-CD2 4.37Å; V118-W143 HydrophobicContact CG1-CE3 4.11Å; V118-W143 HydrophobicContact CG1-CG 4.35Å; V118-W143 HydrophobicContact CG2-CB 4.01Å; V118-W143 HydrophobicContact CG2-CG 4.25Å
119	T	72.2	Confident	87.8	Confident	79 Å²	79	77.4 Å²	77.4	49%	0.485	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	5	-174.6	53.1	0	0	0	0	113.7	G117 A122	G117-T119 PolarHBondContact O-N 3.33Å; T119-A122 WeakPolarHBondContact CA-O 3.43Å
120	E	79.4	Confident	87.9	Confident	147 Å²	147	74.4 Å²	74.4	69%	0.687	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-43.6	-173.7	-72.5	164.7	-155.1	0	0	112.3	G117	G117-E120 WeakPolarHBondContact CA-OE1 3.44Å
121	N	85.9	Confident	87.9	Confident	162 Å²	162	81.4 Å²	81.4	87%	0.866	45%	0.449	S	S	*	.	S	Bend	trans	-103.8	-14.5	-177.1	-64.1	-27.5	0	0	0	113.9
122	A	87.8	Confident	87.9	Confident	53 Å²	53	82.8 Å²	82.8	44%	0.438	46%	0.459	S	S	.	.			trans	-156.6	141.2	-178.9	0	0	0	0	0	111.2	T119	T119-A122 WeakPolarHBondContact CA-O 3.43Å
123	S	88.8	Confident	87.7	Confident	90 Å²	90	84.2 Å²	84.2	63%	0.629	47%	0.473	S	S	*	.			trans	-94.6	122.1	172.5	-67.4	0	0	0	0	110.4
124	Y	91.8	Very high	87.8	Confident	104 Å²	104	79.9 Å²	79.9	41%	0.408	45%	0.452	S	S	.	.			trans	-85.4	137.7	174.8	-69	-92.7	0	0	0	110.5	V118 V140 W143	V118-Y124 HydrophobicContact CG1-CD2 3.75Å; V118-Y124 HydrophobicContact CG1-CE2 3.52Å; V118-Y124 WeakPolarHBondContact O-CE2 3.39Å; Y124-V140 WeakPolarHBondContact O-CB 3.5Å; Y124-V140 WeakPolarHBondContact O-CG2 3.36Å; Y124-V140 PolarHBondContact O-N 3.25Å; Y124-W143 HydrophobicContact CD1-CZ3 4.49Å
125	Y	93	Very high	88.1	Confident	109 Å²	109	78.4 Å²	78.4	43%	0.427	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.4	175	-75.1	-98.8	0	0	0	110.7	V18 A137 F138 P139	V18-Y125 HydrophobicContact CG1-CE1 4.18Å; Y125-A137 HydrophobicContact CD1-CB 4.2Å; Y125-F138 CarbonylContact C-O 3.54Å; Y125-F138 VanDerWaalsContact CA-O 3.32Å; Y125-F138 WeakPolarHBondContact CA-O 3.41Å; Y125-P139 HydrophobicContact CD1-CB 4.24Å; Y125-P139 HydrophobicContact CE1-CB 3.86Å; Y125-P139 HydrophobicContact CE1-CG 4.41Å
126	I	93.4	Very high	88.3	Confident	48 Å²	48	76.4 Å²	76.4	25%	0.246	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.5	171.4	-53.2	-178.2	0	0	0	107.7	Y26 I28 T128 A137 F138 V140	Y26-I126 HydrophobicContact CD1-CD1 4.39Å; I28-I126 HydrophobicContact CD1-CD1 3.74Å; I28-I126 HydrophobicContact CD1-CG1 4.05Å; I126-T128 HydrophobicContact CG2-CG2 4.32Å; I126-A137 WeakPolarHBondContact O-CA 3.48Å; I126-F138 PolarHBondContact N-O 3.44Å; I126-F138 PolarHBondContact O-N 3.48Å; I126-V140 HydrophobicContact CD1-CG2 4.12Å; I126-V140 HydrophobicContact CG1-CG2 3.71Å
127	F	94.9	Very high	88.8	Confident	115 Å²	115	73.5 Å²	73.5	50%	0.504	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.2	174.1	-74.6	-110.3	0	0	0	109.4	V16 F135 E136 A137	V16-F127 HydrophobicContact CG1-CD1 4.35Å; V16-F127 HydrophobicContact CG1-CE1 3.64Å; V16-F127 HydrophobicContact CG1-CZ 4.4Å; V16-F127 HydrophobicContact CG2-CE1 4.01Å; F127-F135 HydrophobicContact CB-CD1 4.06Å; F127-F135 HydrophobicContact CD1-CB 4.06Å; F127-F135 HydrophobicContact CD1-CD1 4.46Å; F127-F135 HydrophobicContact CD1-CG 4.39Å; F127-E136 WeakPolarHBondContact CA-O 3.4Å; F127-A137 HydrophobicContact CD1-CB 4.19Å; F127-A137 HydrophobicContact CD2-CB 4.39Å; F127-A137 HydrophobicContact CE1-CB 4Å; F127-A137 HydrophobicContact CE2-CB 4.19Å; F127-A137 HydrophobicContact CG-CB 4.38Å; F127-A137 HydrophobicContact CZ-CB 3.98Å
128	T	93.4	Very high	89.5	Confident	56 Å²	56	72.2 Å²	72.2	34%	0.344	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.8	172.1	53.1	0	0	0	0	109.5	I126 C130 F135 E136 F138	I126-T128 HydrophobicContact CG2-CG2 4.32Å; T128-C130 PolarHBondContact O-N 3.22Å; T128-F135 WeakPolarHBondContact O-CA 3.49Å; T128-E136 PolarHBondContact N-O 3.31Å; T128-E136 PolarHBondContact O-N 3.44Å; T128-E136 PolarHBondContact OG1-O 2.81Å; T128-F138 WeakPolarHBondContact OG1-CE2 3.15Å
129	Q	94.1	Very high	90.5	Very high	121 Å²	121	74.2 Å²	74.2	57%	0.565	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	121.2	173	-165.7	174.6	19.1	0	0	109.2	F135	Q129-F135 HydrophobicContact CB-CD1 4.06Å; Q129-F135 HydrophobicContact CB-CE1 3.64Å; Q129-F135 HydrophobicContact CB-CZ 4.12Å; Q129-F135 HydrophobicContact CG-CE1 4.13Å; Q129-F135 HydrophobicContact CG-CZ 4.13Å
130	C	91.2	Very high	91.4	Very high	26 Å²	26	71 Å²	71	18%	0.176	38%	0.384	C	S	.	.			trans	-83.5	159.2	174.5	-72.2	0	0	0	0	110.6	T128 D132 G133 A134	T128-C130 PolarHBondContact O-N 3.22Å; C130-D132 WeakPolarHBondContact CB-OD1 3.22Å; C130-D132 PolarHBondContact O-N 2.99Å; C130-D132 VanDerWaalsContact O-N 3.11Å; C130-G133 PolarHBondContact O-N 3.25Å; C130-A134 PolarHBondContact N-O 2.98Å
131	P	92.1	Very high	91.8	Very high	147 Å²	147	68.4 Å²	68.4	96%	0.955	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-16	179.9	-23.8	35.3	0	0	0	114.9
132	D	90.6	Very high	92	Very high	94 Å²	94	60.9 Å²	60.9	50%	0.503	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	2.2	173.3	66.9	-7.6	0	0	0	113.4	R17 C130 A134	R17-D132 IonicContact CZ-OD2 3.76Å; R17-D132 IonicContact NH1-OD2 3.55Å; R17-D132 PolarHBondContact NH1-OD2 3.13Å; R17-D132 IonicContact NH2-OD2 2.66Å; R17-D132 PolarHBondContact NH2-OD2 2.91Å; C130-D132 WeakPolarHBondContact CB-OD1 3.22Å; C130-D132 PolarHBondContact O-N 2.99Å; C130-D132 VanDerWaalsContact O-N 3.11Å; D132-A134 VanDerWaalsContact C-N 3.26Å; D132-A134 PolarHBondContact O-N 3.12Å; D132-A134 WeakPolarHBondContact OD1-CB 3.49Å; D132-A134 PolarHBondContact OD1-N 3.28Å
133	G	88.5	Confident	92.2	Very high	29 Å²	29	61.2 Å²	61.2	30%	0.299	32%	0.323	S	S	.	.	S	Bend	trans	81.3	-5.5	-179	0	0	0	0	0	114.7	Y14 C130	Y14-G133 WeakPolarHBondContact CD1-O 3.42Å; C130-G133 PolarHBondContact O-N 3.25Å
134	A	93.9	Very high	92.4	Very high	5 Å²	5	57.4 Å²	57.4	4%	0.041	29%	0.294	C	S	.	.			trans	-76.9	160.8	172.5	0	0	0	0	0	111.3	T15 C130 D132	T15-A134 WeakPolarHBondContact O-CA 3.47Å; T15-A134 WeakPolarHBondContact O-CB 3.42Å; C130-A134 PolarHBondContact N-O 2.98Å; D132-A134 VanDerWaalsContact C-N 3.26Å; D132-A134 PolarHBondContact O-N 3.12Å; D132-A134 WeakPolarHBondContact OD1-CB 3.49Å; D132-A134 PolarHBondContact OD1-N 3.28Å
135	F	95.3	Very high	92.4	Very high	47 Å²	47	55.8 Å²	55.8	21%	0.206	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.8	168.1	-76	-84.3	0	0	0	110.7	Y14 T15 V16 R17 F127 T128 Q129	Y14-F135 HydrophobicContact CD1-CE2 4.07Å; Y14-F135 AromaticContact CD2-CE2 3.85Å; Y14-F135 HydrophobicContact CD2-CE2 3.85Å; Y14-F135 HydrophobicContact CE2-CE2 4.41Å; Y14-F135 HydrophobicContact CG-CD2 4.05Å; Y14-F135 AromaticContact CG-CE2 3.66Å; Y14-F135 HydrophobicContact CG-CE2 3.66Å; T15-F135 PolarHBondContact O-N 3.32Å; V16-F135 CarbonylContact C-O 3.57Å; V16-F135 WeakPolarHBondContact CA-O 3.33Å; V16-F135 HydrophobicContact CG2-CB 4.39Å; R17-F135 PolarHBondContact N-O 3.07Å; F127-F135 HydrophobicContact CB-CD1 4.06Å; F127-F135 HydrophobicContact CD1-CB 4.06Å; F127-F135 HydrophobicContact CD1-CD1 4.46Å; F127-F135 HydrophobicContact CD1-CG 4.39Å; T128-F135 WeakPolarHBondContact O-CA 3.49Å; Q129-F135 HydrophobicContact CB-CD1 4.06Å; Q129-F135 HydrophobicContact CB-CE1 3.64Å; Q129-F135 HydrophobicContact CB-CZ 4.12Å; Q129-F135 HydrophobicContact CG-CE1 4.13Å; Q129-F135 HydrophobicContact CG-CZ 4.13Å
136	E	93.5	Very high	92.4	Very high	53 Å²	53	50.8 Å²	50.8	25%	0.248	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.9	163.9	-72.6	-178	-173.4	0	0	109.6	R17 P19 F127 T128 F138	R17-E136 HydrophobicContact CB-CG 4.29Å; R17-E136 WeakPolarHBondContact O-CA 3.5Å; P19-E136 HydrophobicContact CG-CB 4.43Å; P19-E136 HydrophobicContact CG-CG 4.33Å; F127-E136 WeakPolarHBondContact CA-O 3.4Å; T128-E136 PolarHBondContact N-O 3.31Å; T128-E136 PolarHBondContact O-N 3.44Å; T128-E136 PolarHBondContact OG1-O 2.81Å; E136-F138 HydrophobicContact CB-CD2 4.49Å; E136-F138 HydrophobicContact CB-CE2 3.7Å; E136-F138 HydrophobicContact CB-CZ 3.92Å; E136-F138 WeakPolarHBondContact OE2-CZ 3.35Å
137	A	94.1	Very high	92.2	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.025	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	110.4	-177.6	0	0	0	0	0	110.7	V16 R17 V18 Y125 I126 F127	V16-A137 HydrophobicContact CG1-CB 4.03Å; R17-A137 PolarHBondContact O-N 3.36Å; V18-A137 HydrophobicContact CG2-CB 4.35Å; Y125-A137 HydrophobicContact CD1-CB 4.2Å; I126-A137 WeakPolarHBondContact O-CA 3.48Å; F127-A137 HydrophobicContact CD1-CB 4.19Å; F127-A137 HydrophobicContact CD2-CB 4.39Å; F127-A137 HydrophobicContact CE1-CB 4Å; F127-A137 HydrophobicContact CE2-CB 4.19Å; F127-A137 HydrophobicContact CG-CB 4.38Å; F127-A137 HydrophobicContact CZ-CB 3.98Å
138	F	93.2	Very high	91.9	Very high	12 Å²	12	50.8 Å²	50.8	5%	0.053	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.9	-177.1	-63.4	-76.2	0	0	0	112	P19 Y26 Y125 I126 T128 E136	P19-F138 HydrophobicContact CB-CE1 4.14Å; P19-F138 HydrophobicContact CG-CE1 3.8Å; P19-F138 HydrophobicContact CG-CZ 4.17Å; Y26-F138 HydrophobicContact CD1-CB 3.79Å; Y26-F138 HydrophobicContact CD1-CD2 4.26Å; Y26-F138 HydrophobicContact CD1-CG 4.01Å; Y26-F138 HydrophobicContact CD2-CB 3.76Å; Y26-F138 HydrophobicContact CD2-CD1 4.01Å; Y26-F138 HydrophobicContact CD2-CG 4Å; Y26-F138 HydrophobicContact CE1-CB 3.95Å; Y26-F138 HydrophobicContact CE1-CD1 4.13Å; Y26-F138 AromaticContact CE1-CD2 3.63Å; Y26-F138 HydrophobicContact CE1-CD2 3.63Å; Y26-F138 HydrophobicContact CE1-CE2 4.13Å; Y26-F138 AromaticContact CE1-CG 3.62Å; Y26-F138 HydrophobicContact CE1-CG 3.62Å; Y26-F138 HydrophobicContact CE2-CB 3.98Å; Y26-F138 AromaticContact CE2-CD1 3.4Å; Y26-F138 HydrophobicContact CE2-CD1 3.4Å; Y26-F138 HydrophobicContact CE2-CD2 4.42Å; Y26-F138 AromaticContact CE2-CE1 3.94Å; Y26-F138 HydrophobicContact CE2-CE1 3.94Å; Y26-F138 AromaticContact CE2-CG 3.67Å; Y26-F138 HydrophobicContact CE2-CG 3.67Å; Y26-F138 HydrophobicContact CG-CB 3.69Å; Y26-F138 HydrophobicContact CG-CG 4.19Å; Y26-F138 AromaticContact CZ-CD1 3.45Å; Y26-F138 VanDerWaalsContact CZ-CD1 3.45Å; Y26-F138 AromaticContact CZ-CD2 3.74Å; Y26-F138 AromaticContact CZ-CE1 3.73Å; Y26-F138 AromaticContact CZ-CE2 3.99Å; Y26-F138 AromaticContact CZ-CG 3.46Å; Y26-F138 VanDerWaalsContact CZ-CG 3.46Å; Y26-F138 AromaticContact CZ-CZ 3.98Å; Y26-F138 WeakPolarHBondContact OH-CE1 3.46Å; Y26-F138 WeakPolarHBondContact OH-CZ 3.47Å; Y125-F138 CarbonylContact C-O 3.54Å; Y125-F138 VanDerWaalsContact CA-O 3.32Å; Y125-F138 WeakPolarHBondContact CA-O 3.41Å; I126-F138 PolarHBondContact N-O 3.44Å; I126-F138 PolarHBondContact O-N 3.48Å; T128-F138 WeakPolarHBondContact OG1-CE2 3.15Å; E136-F138 HydrophobicContact CB-CD2 4.49Å; E136-F138 HydrophobicContact CB-CE2 3.7Å; E136-F138 HydrophobicContact CB-CZ 3.92Å; E136-F138 WeakPolarHBondContact OE2-CZ 3.35Å
139	P	92.4	Very high	91.4	Very high	59 Å²	59	51.7 Å²	51.7	38%	0.383	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.6	178.5	28.3	-34.1	0	0	0	111.9	Y125 H141	Y125-P139 HydrophobicContact CD1-CB 4.24Å; Y125-P139 HydrophobicContact CE1-CB 3.86Å; Y125-P139 HydrophobicContact CE1-CG 4.41Å; P139-H141 PolarHBondContact O-N 3.23Å
140	V	91.9	Very high	90.7	Very high	11 Å²	11	48.2 Å²	48.2	7%	0.067	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.2	176.1	175.6	0	0	0	0	110	I28 Y124 I126	I28-V140 HydrophobicContact CB-CG1 4.5Å; I28-V140 HydrophobicContact CD1-CG2 4.12Å; I28-V140 HydrophobicContact CG1-CB 4.48Å; I28-V140 HydrophobicContact CG1-CG1 3.75Å; I28-V140 HydrophobicContact CG1-CG2 3.82Å; Y124-V140 WeakPolarHBondContact O-CB 3.5Å; Y124-V140 WeakPolarHBondContact O-CG2 3.36Å; Y124-V140 PolarHBondContact O-N 3.25Å; I126-V140 HydrophobicContact CD1-CG2 4.12Å; I126-V140 HydrophobicContact CG1-CG2 3.71Å
141	H	89	Confident	89.5	Confident	93 Å²	93	52.8 Å²	52.8	43%	0.431	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-31.5	177.2	-180	67	0	0	0	113.2	K25 Y26 P139	K25-H141 PolarHBondContact NZ-NE2 2.86Å; Y26-H141 PolarHBondContact O-N 2.72Å; P139-H141 PolarHBondContact O-N 3.23Å
142	G	88.8	Confident	87.6	Confident	4 Å²	4	54.4 Å²	54.4	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	139.3	-176.2	0	0	0	0	0	113.1	N27 I28	N27-G142 CarbonylContact C-O 3.51Å; N27-G142 VanDerWaalsContact CA-O 3.26Å; N27-G142 WeakPolarHBondContact CA-O 3.34Å; N27-G142 WeakPolarHBondContact OD1-CA 3.34Å; N27-G142 PolarHBondContact OD1-N 3.09Å; I28-G142 PolarHBondContact N-O 3.24Å
143	W	92.1	Very high	85.7	Confident	60 Å²	60	60.1 Å²	60.1	23%	0.227	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.6	175	-173.9	-65.3	0	0	0	109.6	I28 A30 K115 V118 Y124 N145	I28-W143 HydrophobicContact CB-CD2 4.06Å; I28-W143 HydrophobicContact CB-CE3 3.88Å; I28-W143 HydrophobicContact CB-CG 4.45Å; I28-W143 HydrophobicContact CB-CZ3 4.31Å; I28-W143 HydrophobicContact CG1-CE3 3.97Å; I28-W143 HydrophobicContact CG1-CZ3 4.18Å; I28-W143 HydrophobicContact CG2-CD2 3.85Å; I28-W143 HydrophobicContact CG2-CE3 3.82Å; I28-W143 HydrophobicContact CG2-CH2 4Å; I28-W143 HydrophobicContact CG2-CZ2 4.03Å; I28-W143 HydrophobicContact CG2-CZ3 3.89Å; A30-W143 HydrophobicContact CB-CZ2 3.97Å; K115-W143 HydrophobicContact CB-CB 4.35Å; K115-W143 HydrophobicContact CB-CG 4.26Å; K115-W143 HydrophobicContact CD-CG 4.22Å; K115-W143 PolarHBondContact N-O 2.98Å; V118-W143 HydrophobicContact CB-CB 4.29Å; V118-W143 HydrophobicContact CG1-CB 4.01Å; V118-W143 HydrophobicContact CG1-CD2 4.37Å; V118-W143 HydrophobicContact CG1-CE3 4.11Å; V118-W143 HydrophobicContact CG1-CG 4.35Å; V118-W143 HydrophobicContact CG2-CB 4.01Å; V118-W143 HydrophobicContact CG2-CG 4.25Å; Y124-W143 HydrophobicContact CD1-CZ3 4.49Å; W143-N145 PolarHBondContact NE1-OD1 3.15Å
144	Y	92.6	Very high	83.4	Confident	9 Å²	9	62.8 Å²	62.8	4%	0.035	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.4	-178.1	-59.4	-90.9	0	0	0	110.6	N27 I28 A30 W98 I113 K114	N27-Y144 HydrophobicContact CB-CD2 4.39Å; N27-Y144 HydrophobicContact CB-CE2 4.12Å; N27-Y144 WeakPolarHBondContact OD1-CE2 3.33Å; I28-Y144 PolarHBondContact O-N 3.09Å; A30-Y144 PolarHBondContact N-O 2.63Å; W98-Y144 AromaticContact CD1-CD1 3.42Å; W98-Y144 VanDerWaalsContact CD1-CD1 3.42Å; W98-Y144 AromaticContact CD1-CE1 3.45Å; W98-Y144 VanDerWaalsContact CD1-CE1 3.45Å; W98-Y144 AromaticContact CD1-CG 3.82Å; W98-Y144 AromaticContact CD1-CZ 3.9Å; W98-Y144 AromaticContact NE1-CD1 3.81Å; W98-Y144 AromaticContact NE1-CE1 3.39Å; W98-Y144 AromaticContact NE1-CE2 3.76Å; W98-Y144 AromaticContact NE1-CZ 3.37Å; I113-Y144 WeakPolarHBondContact O-CA 3.4Å; K114-Y144 HydrophobicContact CB-CD1 3.87Å; K114-Y144 HydrophobicContact CB-CE1 3.66Å; K114-Y144 HydrophobicContact CD-CE1 4.24Å; K114-Y144 HydrophobicContact CG-CD1 4.34Å; K114-Y144 HydrophobicContact CG-CE1 3.86Å
145	N	92.8	Very high	81.3	Confident	70 Å²	70	66.7 Å²	66.7	37%	0.374	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	114	174	-70.1	-18.1	0	0	0	108.8	G112 I113 W143	G112-N145 WeakPolarHBondContact CA-O 3.3Å; I113-N145 PolarHBondContact N-O 2.89Å; I113-N145 PolarHBondContact O-N 2.56Å; W143-N145 PolarHBondContact NE1-OD1 3.15Å
146	F	92.3	Very high	78.8	Confident	5 Å²	5	68.8 Å²	68.8	2%	0.022	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.2	178.1	-75.8	-97.8	0	0	0	111.1	M29 A30 F31 M47 W98 L100 F110 K111 G112	M29-F146 HydrophobicContact CB-CD2 4.32Å; M29-F146 HydrophobicContact CB-CE2 4.08Å; M29-F146 HydrophobicContact CE-CE2 4.18Å; M29-F146 HydrophobicContact CE-CZ 4.1Å; M29-F146 HydrophobicContact CG-CD2 3.66Å; M29-F146 HydrophobicContact CG-CE2 3.71Å; M29-F146 HydrophobicContact CG-CG 4.41Å; A30-F146 PolarHBondContact O-N 2.9Å; F31-F146 HydrophobicContact CD1-CB 3.65Å; F31-F146 HydrophobicContact CE1-CB 3.41Å; F31-F146 VanDerWaalsContact CE1-CB 3.41Å; F31-F146 HydrophobicContact CE1-CG 4.03Å; F31-F146 HydrophobicContact CZ-CB 4.22Å; F31-F146 HydrophobicContact CZ-CG 4.42Å; M47-F146 HydrophobicContact CE-CZ 4.17Å; W98-F146 HydrophobicContact CB-CE1 3.98Å; W98-F146 HydrophobicContact CB-CZ 3.84Å; W98-F146 HydrophobicContact CG-CZ 4.39Å; L100-F146 HydrophobicContact CB-CD1 4.2Å; L100-F146 HydrophobicContact CB-CE1 3.86Å; F110-F146 HydrophobicContact CB-CB 4.31Å; F110-F146 HydrophobicContact CB-CD1 3.94Å; K111-F146 WeakPolarHBondContact O-CA 3.27Å; G112-F146 VanDerWaalsContact CA-CD1 3.42Å
147	T	90.5	Very high	76.7	Confident	80 Å²	80	69.5 Å²	69.5	49%	0.491	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.3	173.1	56.9	0	0	0	0	110.2	F110 K111 Q149	F110-T147 CarbonylContact C-O 3.58Å; F110-T147 WeakPolarHBondContact CA-O 3.33Å; K111-T147 PolarHBondContact N-O 3.15Å; K111-T147 PolarHBondContact O-N 2.98Å; K111-T147 VanDerWaalsContact O-N 3.09Å; T147-Q149 PolarHBondContact O-N 2.9Å; T147-Q149 VanDerWaalsContact O-N 3.17Å
148	Q	88.3	Confident	74.9	Confident	83 Å²	83	76.7 Å²	76.7	39%	0.388	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	115.4	178.1	-162.3	-172.3	-91.6	0	0	111.2	D35 K108 F110 A150	D35-Q148 WeakPolarHBondContact OD2-CB 3.44Å; D35-Q148 PolarHBondContact OD2-N 2.97Å; K108-Q148 VanDerWaalsContact CD-OE1 3.27Å; F110-Q148 VanDerWaalsContact CD1-CA 3.48Å; F110-Q148 HydrophobicContact CD1-CB 3.8Å; F110-Q148 HydrophobicContact CD1-CG 4.08Å; F110-Q148 HydrophobicContact CE1-CB 3.73Å; F110-Q148 HydrophobicContact CE1-CG 3.79Å; F110-Q148 HydrophobicContact CZ-CG 4.24Å; Q148-A150 PolarHBondContact O-N 2.9Å
149	Q	82.7	Confident	73.1	Confident	75 Å²	75	81.4 Å²	81.4	35%	0.35	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120	175.2	-174	-175.5	13.1	0	0	109.1	R109 T147	R109-Q149 HydrophobicContact CB-CB 4.01Å; R109-Q149 PolarHBondContact O-N 3.41Å; T147-Q149 PolarHBondContact O-N 2.9Å; T147-Q149 VanDerWaalsContact O-N 3.17Å
150	A	78.5	Confident	71.4	Confident	48 Å²	48	80.1 Å²	80.1	40%	0.397	41%	0.41	S	S	.	.			trans	-54.2	142.6	174.9	0	0	0	0	0	111.5	R109 Q148 R153	R109-A150 PolarHBondContact NH2-O 2.98Å; R109-A150 VanDerWaalsContact NH2-O 3.11Å; Q148-A150 PolarHBondContact O-N 2.9Å; A150-R153 HydrophobicContact CB-CB 4.27Å
151	K	66.4	Low	69.6	Low	122 Å²	122	86.6 Å²	86.6	53%	0.53	44%	0.439	S	S	.	.	S	Bend	trans	-67.1	-47.4	177.4	-64	-175.1	-170.7	-178	0	110.4	A106 G107 R109	A106-K151 WeakPolarHBondContact O-CE 3.43Å; A106-K151 PolarHBondContact O-NZ 2.83Å; G107-K151 WeakPolarHBondContact O-CE 3.3Å; R109-K151 PolarHBondContact NH2-O 3.03Å; R109-K151 VanDerWaalsContact NH2-O 3.07Å
152	H	52.4	Low	68.1	Low	181 Å²	181	88 Å²	88	84%	0.838	45%	0.446	S	S	*	.			trans	-116.4	126.4	167.6	-63.8	-104.4	0	0	0	108.6
153	R	51.1	Low	66.4	Low	214 Å²	214	92 Å²	92	81%	0.808	46%	0.464	S	S	*	.			trans	-134.4	98.3	158.8	-176.8	172.6	71.7	105	0.8	106.4	A150	A150-R153 HydrophobicContact CB-CB 4.27Å
154	T	40.4	Very low	64.3	Low	84 Å²	84	98.4 Å²	98.4	52%	0.515	49%	0.488	S	S	.	.			trans	21.6	122.4	150.3	57.7	0	0	0	0	117.7
155	L	49.8	Very low	62.3	Low	88 Å²	88	101.2 Å²	101.2	46%	0.461	52%	0.519	S	S	.	.			trans	43.2	112.5	146	-151	70.4	0	0	0	116.2	A157 E159 A160	L155-A157 PolarHBondContact O-N 2.85Å; L155-E159 HydrophobicContact CD1-CB 4.27Å; L155-E159 HydrophobicContact CD1-CG 3.89Å; L155-E159 WeakPolarHBondContact CD1-OE2 3.11Å; L155-E159 HydrophobicContact CG-CB 4.38Å; L155-E159 HydrophobicContact CG-CG 4.49Å; L155-A160 HydrophobicContact CD2-CB 3.63Å; L155-A160 HydrophobicContact CG-CB 4.13Å
156	T	42.1	Very low	60.6	Low	90 Å²	90	104.4 Å²	104.4	55%	0.552	53%	0.526	S	S	*	.			trans	-54.1	136	170.4	-53.1	0	0	0	0	108.8	E158 E159 A160	T156-E158 HydrophobicContact CG2-CB 3.9Å; T156-E158 PolarHBondContact O-N 3.13Å; T156-E158 VanDerWaalsContact O-N 3.11Å; T156-E159 PolarHBondContact O-N 3.3Å; T156-E159 VanDerWaalsContact O-N 3.08Å; T156-A160 PolarHBondContact O-N 3.14Å
157	A	50.2	Low	58.7	Low	69 Å²	69	110.7 Å²	110.7	57%	0.57	55%	0.549	S	S	*	.	H	α-helix	trans	-58.3	-30.8	-173.4	0	0	0	0	0	112.6	L155 A160 E161	L155-A157 PolarHBondContact O-N 2.85Å; A157-A160 CarbonylContact O-C 3.57Å; A157-A160 WeakPolarHBondContact O-CA 3.33Å; A157-A160 WeakPolarHBondContact O-CB 3.43Å; A157-A160 PolarHBondContact O-N 3.44Å; A157-E161 PolarHBondContact O-N 2.65Å
158	E	54.8	Low	56.5	Low	154 Å²	154	114.7 Å²	114.7	72%	0.72	57%	0.568	S	S	*	*	H	α-helix	trans	-56.5	-55	171.6	-169	171.3	-154.1	0	0	113.1	T156 A160 E161 E162	T156-E158 HydrophobicContact CG2-CB 3.9Å; T156-E158 PolarHBondContact O-N 3.13Å; T156-E158 VanDerWaalsContact O-N 3.11Å; E158-A160 PolarHBondContact O-N 3.04Å; E158-E161 PolarHBondContact O-N 3.46Å; E158-E162 PolarHBondContact O-N 3.3Å
159	E	56.9	Low	55.4	Low	110 Å²	110	118.1 Å²	118.1	51%	0.514	58%	0.581	S	S	.	*	H	α-helix	trans	-63.8	-26.8	173.4	-169.2	-173.6	176.1	0	0	111.7	L155 T156	L155-E159 HydrophobicContact CD1-CB 4.27Å; L155-E159 HydrophobicContact CD1-CG 3.89Å; L155-E159 WeakPolarHBondContact CD1-OE2 3.11Å; L155-E159 HydrophobicContact CG-CB 4.38Å; L155-E159 HydrophobicContact CG-CG 4.49Å; T156-E159 PolarHBondContact O-N 3.3Å; T156-E159 VanDerWaalsContact O-N 3.08Å
160	A	56	Low	54.2	Low	33 Å²	33	121.7 Å²	121.7	27%	0.273	61%	0.608	S	S	.	*	H	α-helix	trans	-76.9	-38.9	175.8	0	0	0	0	0	113	L155 T156 A157 E158 W164	L155-A160 HydrophobicContact CD2-CB 3.63Å; L155-A160 HydrophobicContact CG-CB 4.13Å; T156-A160 PolarHBondContact O-N 3.14Å; A157-A160 CarbonylContact O-C 3.57Å; A157-A160 WeakPolarHBondContact O-CA 3.33Å; A157-A160 WeakPolarHBondContact O-CB 3.43Å; A157-A160 PolarHBondContact O-N 3.44Å; E158-A160 PolarHBondContact O-N 3.04Å; A160-W164 VanDerWaalsContact O-CB 3.24Å; A160-W164 WeakPolarHBondContact O-CB 3.31Å; A160-W164 PolarHBondContact O-N 3.39Å
161	E	53.6	Low	53.4	Low	147 Å²	147	122.9 Å²	122.9	69%	0.687	61%	0.61	S	S	*	*	H	α-helix	trans	-67.9	-37.4	179.8	-82.5	-175.5	123.5	0	0	111.8	A157 E158 E163 W164 G165	A157-E161 PolarHBondContact O-N 2.65Å; E158-E161 PolarHBondContact O-N 3.46Å; E161-E163 PolarHBondContact O-N 3Å; E161-W164 PolarHBondContact O-N 2.93Å; E161-G165 PolarHBondContact O-N 3Å
162	E	58	Low	53.8	Low	123 Å²	123	122.2 Å²	122.2	58%	0.575	61%	0.612	S	S	*	*	H	α-helix	trans	-62.7	-43.2	177.5	-154.9	-159.7	133	0	0	112.3	E158 R166	E158-E162 PolarHBondContact O-N 3.3Å; E162-R166 PolarHBondContact O-N 3.09Å; E162-R166 IonicContact OE1-CZ 3.52Å; E162-R166 IonicContact OE1-NH1 2.63Å; E162-R166 IonicContact OE1-NH2 2.86Å; E162-R166 PolarHBondContact OE1-NH2 3.02Å
163	E	52.1	Low	54.5	Low	87 Å²	87	118.5 Å²	118.5	41%	0.407	60%	0.595	S	S	.	*	H	α-helix	trans	-75.1	-32.8	173.7	-97.3	-64.6	109.8	0	0	113.3	E161 G165 R166 R167	E161-E163 PolarHBondContact O-N 3Å; E163-G165 VanDerWaalsContact C-N 3.31Å; E163-G165 PolarHBondContact O-N 2.98Å; E163-R166 WeakPolarHBondContact O-CB 3.5Å; E163-R166 PolarHBondContact O-N 3.26Å; E163-R166 VanDerWaalsContact O-N 3.08Å; E163-R166 VanDerWaalsContact OE1-CD 3.3Å; E163-R166 WeakPolarHBondContact OE1-CD 3.23Å; E163-R166 IonicContact OE1-CZ 2.72Å; E163-R166 IonicContact OE1-NE 2.83Å; E163-R166 IonicContact OE1-NH1 3.59Å; E163-R166 PolarHBondContact OE1-NH1 3.31Å; E163-R167 PolarHBondContact O-N 2.9Å; E163-R167 IonicContact OE2-NH1 2.83Å
164	W	47.9	Very low	55.1	Low	195 Å²	195	114.7 Å²	114.7	74%	0.739	59%	0.585	S	S	*	*	H	α-helix	trans	-66.3	-36.7	176.9	-158.6	82.3	0	0	0	111.3	A160 E161 R166 R167	A160-W164 VanDerWaalsContact O-CB 3.24Å; A160-W164 WeakPolarHBondContact O-CB 3.31Å; A160-W164 PolarHBondContact O-N 3.39Å; E161-W164 PolarHBondContact O-N 2.93Å; W164-R166 VanDerWaalsContact C-N 3.27Å; W164-R166 PolarHBondContact O-N 2.98Å; W164-R167 PolarHBondContact O-N 3.18Å
165	G	51.7	Low	56.6	Low	67 Å²	67	113.5 Å²	113.5	69%	0.691	58%	0.58	S	S	*	*	H	α-helix	trans	-60.4	-31.8	169.4	0	0	0	0	0	113.5	E161 E163	E161-G165 PolarHBondContact O-N 3Å; E163-G165 VanDerWaalsContact C-N 3.31Å; E163-G165 PolarHBondContact O-N 2.98Å
166	R	57.5	Low	57.7	Low	137 Å²	137	113 Å²	113	52%	0.517	58%	0.577	S	S	.	*	H	α-helix	trans	-69.3	-36	178.7	-66.9	-153.8	-178.7	81	13.2	113.4	E162 E163 W164	E162-R166 PolarHBondContact O-N 3.09Å; E162-R166 IonicContact OE1-CZ 3.52Å; E162-R166 IonicContact OE1-NH1 2.63Å; E162-R166 IonicContact OE1-NH2 2.86Å; E162-R166 PolarHBondContact OE1-NH2 3.02Å; E163-R166 WeakPolarHBondContact O-CB 3.5Å; E163-R166 PolarHBondContact O-N 3.26Å; E163-R166 VanDerWaalsContact O-N 3.08Å; E163-R166 VanDerWaalsContact OE1-CD 3.3Å; E163-R166 WeakPolarHBondContact OE1-CD 3.23Å; E163-R166 IonicContact OE1-CZ 2.72Å; E163-R166 IonicContact OE1-NE 2.83Å; E163-R166 IonicContact OE1-NH1 3.59Å; E163-R166 PolarHBondContact OE1-NH1 3.31Å; W164-R166 VanDerWaalsContact C-N 3.27Å; W164-R166 PolarHBondContact O-N 2.98Å
167	R	50.8	Low	59	Low	137 Å²	137	113.8 Å²	113.8	52%	0.517	58%	0.576	S	S	.	*			trans	-150.8	125.6	-177.8	-57.4	-177.4	-169.2	81.8	4.3	114.1	E163 W164 K169	E163-R167 PolarHBondContact O-N 2.9Å; E163-R167 IonicContact OE2-NH1 2.83Å; W164-R167 PolarHBondContact O-N 3.18Å; R167-K169 HydrophobicContact CB-CB 3.83Å; R167-K169 PolarHBondContact O-N 3.03Å
168	N	45.8	Very low	60	Low	164 Å²	164	114.4 Å²	114.4	88%	0.877	57%	0.569	S	S	*	*	S	Bend	trans	-71.1	53.6	162	-167.3	14.5	0	0	0	111.8
169	K	63.8	Low	60.7	Low	155 Å²	155	113.2 Å²	113.2	67%	0.674	56%	0.564	S	S	*	*	S	Bend	trans	-138.5	117.5	-170.7	-176.6	178.7	-177.6	178.5	0	109	R167 V171	R167-K169 HydrophobicContact CB-CB 3.83Å; R167-K169 PolarHBondContact O-N 3.03Å; K169-V171 PolarHBondContact O-N 2.87Å
170	V	57.8	Low	61.2	Low	150 Å²	150	114.7 Å²	114.7	91%	0.909	56%	0.564	S	S	*	*			trans	-66.6	101.2	179.6	-176.5	0	0	0	0	109.9
171	V	61.3	Low	61.7	Low	73 Å²	73	121.7 Å²	121.7	44%	0.442	58%	0.584	S	S	.	*			trans	-79	134.8	172.1	-176.8	0	0	0	0	109	K169 H173 I176	K169-V171 PolarHBondContact O-N 2.87Å; V171-H173 PolarHBondContact O-N 2.89Å; V171-I176 HydrophobicContact CB-CD1 4.23Å; V171-I176 HydrophobicContact CG1-CD1 3.78Å; V171-I176 HydrophobicContact CG1-CG1 3.73Å
172	N	75.4	Confident	62.1	Low	108 Å²	108	120.2 Å²	120.2	58%	0.578	58%	0.58	S	S	*	*			trans	-69.6	123.1	176.9	-175	-12.4	0	0	0	109.9	F174 S175 I176	N172-F174 PolarHBondContact O-N 2.95Å; N172-F174 WeakPolarHBondContact OD1-CB 3.22Å; N172-F174 PolarHBondContact OD1-N 3.07Å; N172-S175 PolarHBondContact O-N 3.29Å; N172-S175 PolarHBondContact O-OG 2.85Å; N172-I176 PolarHBondContact O-N 3.41Å
173	H	66.9	Low	62.5	Low	103 Å²	103	121.8 Å²	121.8	48%	0.477	58%	0.581	S	S	.	*	H	α-helix	trans	-53.4	-30	177.8	-176.9	51.5	0	0	0	112.9	V171 I176 M177	V171-H173 PolarHBondContact O-N 2.89Å; H173-I176 PolarHBondContact O-N 3.33Å; H173-M177 WeakPolarHBondContact O-CB 3.39Å; H173-M177 VanDerWaalsContact O-CG 3.24Å; H173-M177 WeakPolarHBondContact O-CG 3.15Å; H173-M177 PolarHBondContact O-N 2.88Å
174	F	64.4	Low	62.5	Low	134 Å²	134	123.3 Å²	123.3	59%	0.588	59%	0.587	S	S	*	*	H	α-helix	trans	-65.5	-38.5	177.3	-170.1	-101.8	0	0	0	113.7	N172 M177 L178	N172-F174 PolarHBondContact O-N 2.95Å; N172-F174 WeakPolarHBondContact OD1-CB 3.22Å; N172-F174 PolarHBondContact OD1-N 3.07Å; F174-M177 PolarHBondContact O-N 2.83Å; F174-L178 HydrophobicContact CD1-CD1 4.16Å; F174-L178 HydrophobicContact CD2-CD1 4.41Å; F174-L178 HydrophobicContact CE1-CD1 3.65Å; F174-L178 HydrophobicContact CE1-CD2 3.89Å; F174-L178 HydrophobicContact CE1-CG 4.41Å; F174-L178 HydrophobicContact CE2-CD1 3.93Å; F174-L178 HydrophobicContact CZ-CD1 3.52Å; F174-L178 HydrophobicContact CZ-CD2 4.4Å; F174-L178 PolarHBondContact O-N 3.12Å
175	S	72.8	Confident	62.6	Low	59 Å²	59	120.5 Å²	120.5	41%	0.413	58%	0.583	S	S	.	*	H	α-helix	trans	-71.8	-34.2	177.7	51.5	0	0	0	0	111.9	N172 L178 Q179	N172-S175 PolarHBondContact O-N 3.29Å; N172-S175 PolarHBondContact O-OG 2.85Å; S175-L178 PolarHBondContact O-N 3.13Å; S175-Q179 VanDerWaalsContact O-CB 3.29Å; S175-Q179 WeakPolarHBondContact O-CB 3.49Å; S175-Q179 PolarHBondContact O-N 3.24Å
176	I	71.9	Confident	62.7	Low	77 Å²	77	124.4 Å²	124.4	40%	0.395	58%	0.583	S	S	.	*	H	α-helix	trans	-63.5	-44.5	172.2	-58	173.1	0	0	0	110.1	V171 N172 H173 L178 Q179 R180	V171-I176 HydrophobicContact CB-CD1 4.23Å; V171-I176 HydrophobicContact CG1-CD1 3.78Å; V171-I176 HydrophobicContact CG1-CG1 3.73Å; N172-I176 PolarHBondContact O-N 3.41Å; H173-I176 PolarHBondContact O-N 3.33Å; I176-L178 PolarHBondContact O-N 2.98Å; I176-Q179 PolarHBondContact O-N 3.46Å; I176-R180 VanDerWaalsContact O-CB 3.32Å; I176-R180 WeakPolarHBondContact O-CB 3.38Å; I176-R180 PolarHBondContact O-N 3.46Å
177	M	70.3	Confident	62.3	Low	107 Å²	107	128.8 Å²	128.8	53%	0.527	60%	0.599	S	S	.	*	H	α-helix	trans	-62.2	-40.1	176.4	-74	-90.8	-73.9	0	0	112.8	H173 F174 R181	H173-M177 WeakPolarHBondContact O-CB 3.39Å; H173-M177 VanDerWaalsContact O-CG 3.24Å; H173-M177 WeakPolarHBondContact O-CG 3.15Å; H173-M177 PolarHBondContact O-N 2.88Å; F174-M177 PolarHBondContact O-N 2.83Å; M177-R181 WeakPolarHBondContact O-CB 3.47Å; M177-R181 PolarHBondContact O-N 3.19Å
178	L	69.9	Low	61.7	Low	82 Å²	82	125.1 Å²	125.1	43%	0.429	60%	0.604	S	S	.	*	H	α-helix	trans	-69.1	-46.8	175.3	-105	64.7	0	0	0	112.2	F174 S175 I176 R180 R181 L182	F174-L178 HydrophobicContact CD1-CD1 4.16Å; F174-L178 HydrophobicContact CD2-CD1 4.41Å; F174-L178 HydrophobicContact CE1-CD1 3.65Å; F174-L178 HydrophobicContact CE1-CD2 3.89Å; F174-L178 HydrophobicContact CE1-CG 4.41Å; F174-L178 HydrophobicContact CE2-CD1 3.93Å; F174-L178 HydrophobicContact CZ-CD1 3.52Å; F174-L178 HydrophobicContact CZ-CD2 4.4Å; F174-L178 PolarHBondContact O-N 3.12Å; S175-L178 PolarHBondContact O-N 3.13Å; I176-L178 PolarHBondContact O-N 2.98Å; L178-R180 VanDerWaalsContact C-N 3.31Å; L178-R180 PolarHBondContact O-N 2.98Å; L178-R181 PolarHBondContact O-N 3.17Å; L178-R181 VanDerWaalsContact O-N 3.08Å; L178-L182 WeakPolarHBondContact O-CD1 3.38Å; L178-L182 PolarHBondContact O-N 2.91Å
179	Q	70.6	Confident	61.3	Low	130 Å²	130	124.7 Å²	124.7	61%	0.607	60%	0.602	S	S	*	*	H	α-helix	trans	-64.3	-37.2	179.7	-170.2	176.8	5.7	0	0	111.6	S175 I176 R183	S175-Q179 VanDerWaalsContact O-CB 3.29Å; S175-Q179 WeakPolarHBondContact O-CB 3.49Å; S175-Q179 PolarHBondContact O-N 3.24Å; I176-Q179 PolarHBondContact O-N 3.46Å; Q179-R183 WeakPolarHBondContact O-CB 3.2Å; Q179-R183 PolarHBondContact O-N 3.04Å
180	R	66.3	Low	60.1	Low	140 Å²	140	124.8 Å²	124.8	53%	0.528	61%	0.61	S	S	.	*	H	α-helix	trans	-62.3	-47.8	168.5	-179.1	178	173.6	122.1	8.8	111.2	I176 L178 L182 R183 E184	I176-R180 VanDerWaalsContact O-CB 3.32Å; I176-R180 WeakPolarHBondContact O-CB 3.38Å; I176-R180 PolarHBondContact O-N 3.46Å; L178-R180 VanDerWaalsContact C-N 3.31Å; L178-R180 PolarHBondContact O-N 2.98Å; R180-L182 VanDerWaalsContact C-N 3.3Å; R180-L182 PolarHBondContact O-N 3.26Å; R180-R183 CarbonylContact O-C 3.57Å; R180-R183 PolarHBondContact O-N 3.22Å; R180-R183 VanDerWaalsContact O-N 3.16Å; R180-E184 WeakPolarHBondContact CG-OE2 3.27Å; R180-E184 IonicContact CZ-OE1 2.57Å; R180-E184 IonicContact CZ-OE2 3.78Å; R180-E184 IonicContact NE-OE1 2.89Å; R180-E184 IonicContact NE-OE2 2.6Å; R180-E184 PolarHBondContact NE-OE2 3.07Å; R180-E184 IonicContact NH2-OE1 2.64Å; R180-E184 PolarHBondContact NH2-OE1 3.03Å; R180-E184 IonicContact NH2-OE2 2.66Å; R180-E184 WeakPolarHBondContact O-CB 3.14Å; R180-E184 PolarHBondContact O-N 3.39Å
181	R	68.1	Low	59.2	Low	181 Å²	181	125.4 Å²	125.4	68%	0.683	61%	0.608	S	S	*	*	H	α-helix	trans	-62.5	-35.1	-178.8	-173.7	174.2	-178.1	169.6	2.6	113	M177 L178 Q185	M177-R181 WeakPolarHBondContact O-CB 3.47Å; M177-R181 PolarHBondContact O-N 3.19Å; L178-R181 PolarHBondContact O-N 3.17Å; L178-R181 VanDerWaalsContact O-N 3.08Å; R181-Q185 WeakPolarHBondContact O-CB 3.47Å; R181-Q185 PolarHBondContact O-N 3.11Å; R181-Q185 VanDerWaalsContact O-N 3.15Å
182	L	61.8	Low	58	Low	115 Å²	115	131.1 Å²	131.1	60%	0.602	63%	0.63	S	S	*	*	H	α-helix	trans	-65.6	-51.6	171	-93.9	69.3	0	0	0	110.5	L178 R180 E184 Q185 E186	L178-L182 WeakPolarHBondContact O-CD1 3.38Å; L178-L182 PolarHBondContact O-N 2.91Å; R180-L182 VanDerWaalsContact C-N 3.3Å; R180-L182 PolarHBondContact O-N 3.26Å; L182-E184 PolarHBondContact O-N 3.28Å; L182-Q185 CarbonylContact O-C 3.3Å; L182-Q185 WeakPolarHBondContact O-CA 3.43Å; L182-Q185 PolarHBondContact O-N 3.24Å; L182-E186 VanDerWaalsContact O-CB 3.28Å; L182-E186 WeakPolarHBondContact O-CB 3.34Å; L182-E186 PolarHBondContact O-N 2.83Å
183	R	64.6	Low	55.8	Low	157 Å²	157	133.8 Å²	133.8	59%	0.592	64%	0.644	S	S	*	*	H	α-helix	trans	-60.7	-30.2	178.4	-165.2	-170.3	-67.6	-82.3	11.3	113.6	Q179 R180 Q185 R187	Q179-R183 WeakPolarHBondContact O-CB 3.2Å; Q179-R183 PolarHBondContact O-N 3.04Å; R180-R183 CarbonylContact O-C 3.57Å; R180-R183 PolarHBondContact O-N 3.22Å; R180-R183 VanDerWaalsContact O-N 3.16Å; R183-Q185 VanDerWaalsContact C-N 3.34Å; R183-R187 WeakPolarHBondContact O-CB 3.35Å; R183-R187 PolarHBondContact O-N 3.45Å; R183-R187 VanDerWaalsContact O-N 3.11Å
184	E	53	Low	54.3	Low	118 Å²	118	138 Å²	138	55%	0.551	66%	0.664	S	S	*	*	H	α-helix	trans	-86.3	-6.1	178.8	-161.2	156.7	-142.8	0	0	112.1	R180 L182	R180-E184 WeakPolarHBondContact CG-OE2 3.27Å; R180-E184 IonicContact CZ-OE1 2.57Å; R180-E184 IonicContact CZ-OE2 3.78Å; R180-E184 IonicContact NE-OE1 2.89Å; R180-E184 IonicContact NE-OE2 2.6Å; R180-E184 PolarHBondContact NE-OE2 3.07Å; R180-E184 IonicContact NH2-OE1 2.64Å; R180-E184 PolarHBondContact NH2-OE1 3.03Å; R180-E184 IonicContact NH2-OE2 2.66Å; R180-E184 WeakPolarHBondContact O-CB 3.14Å; R180-E184 PolarHBondContact O-N 3.39Å; L182-E184 PolarHBondContact O-N 3.28Å
185	Q	50.7	Low	52.7	Low	136 Å²	136	138 Å²	138	64%	0.636	68%	0.675	S	S	*	*	H	α-helix	trans	-100.1	-37.5	166.5	-177.4	171.3	-10.5	0	0	111.4	R181 L182 R183 R187 G188	R181-Q185 WeakPolarHBondContact O-CB 3.47Å; R181-Q185 PolarHBondContact O-N 3.11Å; R181-Q185 VanDerWaalsContact O-N 3.15Å; L182-Q185 CarbonylContact O-C 3.3Å; L182-Q185 WeakPolarHBondContact O-CA 3.43Å; L182-Q185 PolarHBondContact O-N 3.24Å; R183-Q185 VanDerWaalsContact C-N 3.34Å; Q185-R187 PolarHBondContact O-N 2.68Å; Q185-G188 PolarHBondContact O-N 3.01Å
186	E	52.7	Low	50.7	Low	149 Å²	149	143 Å²	143	70%	0.696	69%	0.692	S	S	*	*	H	α-helix	trans	-63.7	-26.5	172.2	-178.5	178.7	-131.2	0	0	112.7	L182	L182-E186 VanDerWaalsContact O-CB 3.28Å; L182-E186 WeakPolarHBondContact O-CB 3.34Å; L182-E186 PolarHBondContact O-N 2.83Å
187	R	50.6	Low	48.8	Very low	229 Å²	229	149 Å²	149	86%	0.864	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	33.3	173.6	-156.7	-166.2	177.4	179.5	0.7	112.7	R183 Q185	R183-R187 WeakPolarHBondContact O-CB 3.35Å; R183-R187 PolarHBondContact O-N 3.45Å; R183-R187 VanDerWaalsContact O-N 3.11Å; Q185-R187 PolarHBondContact O-N 2.68Å
188	G	37	Very low	46.8	Very low	60 Å²	60	148.1 Å²	148.1	62%	0.619	73%	0.734	S	S	*	*	S	Bend	trans	-135.9	17.4	-178.4	0	0	0	0	0	114.2	Q185	Q185-G188 PolarHBondContact O-N 3.01Å
189	D	38.5	Very low	44.8	Very low	156 Å²	156	148 Å²	148	83%	0.834	75%	0.752	S	S	*	*	S	Bend	trans	-138.4	31.8	-169.8	-149.9	46.8	0	0	0	111
190	D	37.6	Very low	43.2	Very low	156 Å²	156	152 Å²	152	83%	0.834	77%	0.768	S	S	*	*	S	Bend	trans	-147.6	35.5	-174.2	-161.8	29.1	0	0	0	112
191	D	39.1	Very low	41.7	Very low	164 Å²	164	155.5 Å²	155.5	88%	0.877	79%	0.787	S	S	*	*	S	Bend	trans	-141.4	9.9	-175.9	-106.3	-45	0	0	0	113.5
192	E	35.5	Very low	40	Very low	192 Å²	192	156.6 Å²	156.6	90%	0.897	80%	0.796	S	S	*	*	S	Bend	trans	-137.8	62.7	177.9	-73	-161.7	156.2	0	0	114
193	D	30.2	Very low	38.6	Very low	164 Å²	164	160.6 Å²	160.6	88%	0.877	81%	0.809	S	S	*	*			trans	-153.8	40.1	159	-132	-17	0	0	0	116
194	E	35.5	Very low	37	Very low	193 Å²	193	163.2 Å²	163.2	90%	0.902	82%	0.824	S	S	*	*			trans	-104.5	84.4	162.4	-105.6	-123.2	129	0	0	111
195	T	30	Very low	35.8	Very low	132 Å²	132	161.3 Å²	161.3	81%	0.81	84%	0.836	S	S	*	*			trans	-164.8	144.1	140.3	5.7	0	0	0	0	114.4
196	E	31.5	Very low	35	Very low	165 Å²	165	159 Å²	159	77%	0.771	85%	0.85	S	S	*	*			trans	58.4	99.6	167.5	-59.3	-151.9	149	0	0	120.3
197	K	32	Very low	34.1	Very low	204 Å²	204	157.2 Å²	157.2	89%	0.887	85%	0.854	S	S	*	*				-163.5	121.6	107.7	-99	153.6	-146.2	78.7	0	113.5
198	G	27.7	Very low	33.4	Very low	88 Å²	88	155.9 Å²	155.9	91%	0.907	85%	0.854	S	S	*	*			trans	-92.3	138.7	172.3	0	0	0	0	0	113.3
199	G	28.5	Very low	33.2	Very low	80 Å²	80	157 Å²	157	83%	0.825	87%	0.865	S	S	*	*			trans	-153.1	102.8	179.9	0	0	0	0	0	114.2
200	K	35.6	Very low	33.2	Very low	214 Å²	214	153.2 Å²	153.2	93%	0.93	86%	0.864	S	S	*	*			trans	-68.5	135.7	-175.9	-66	167.9	-179.9	164.1	0	113.5
201	K	35	Very low	33	Very low	213 Å²	213	152.8 Å²	152.8	93%	0.926	86%	0.861	S	S	*	*			trans	-139.6	156.7	145	-101.3	175.3	-175.9	172.4	0	110.8
202	K	34	Very low	33.5	Very low	204 Å²	204	152.9 Å²	152.9	89%	0.887	86%	0.861	S	S	*	*			trans	-117.9	158.1	-172.1	-87.3	-173	173.8	-179.4	0	112.2
203	K	32.5	Very low	33.9	Very low	199 Å²	199	150.6 Å²	150.6	87%	0.865	85%	0.854	S	S	*	*			trans	88.9	143.8	143.2	-117.8	-177.7	-178.8	-175.6	0	118.8
204	K	30.6	Very low	34.6	Very low	211 Å²	211	151.1 Å²	151.1	92%	0.917	86%	0.855	S	S	*	*			trans	66.2	144.3	-176.9	-62.6	-174.3	174.2	-174.1	0	114
205	G	28.2	Very low	34.7	Very low	78 Å²	78	148.7 Å²	148.7	80%	0.804	84%	0.843	S	S	*	*			cis	-175.7	147.8	-7.1	0	0	0	0	0	110.3
206	G	33.9	Very low	35.1	Very low	89 Å²	89	149.1 Å²	149.1	92%	0.918	84%	0.84	S	S	*	*			trans	-87.3	133.5	-170.1	0	0	0	0	0	115.3
207	S	32.8	Very low	35.9	Very low	111 Å²	111	149.6 Å²	149.6	78%	0.776	85%	0.847	S	S	*	*			trans	-159.5	106.9	155.3	-172.3	0	0	0	0	105.8
208	K	36.3	Very low	36.5	Very low	201 Å²	201	146.7 Å²	146.7	87%	0.874	84%	0.842	S	S	*	*				75.3	89.4	74.5	-168.9	-168.9	175.9	-177.2	0	113.3
209	G	32.7	Very low	37.3	Very low	83 Å²	83	150 Å²	150	86%	0.856	84%	0.839	S	S	*	*			trans	82.9	152	148.8	0	0	0	0	0	117.2
210	G	38	Very low	38	Very low	77 Å²	77	154 Å²	154	79%	0.794	84%	0.841	S	S	*	*			trans	123.8	94.8	161.3	0	0	0	0	0	116.4
211	D	34.1	Very low	38.5	Very low	146 Å²	146	151.4 Å²	151.4	78%	0.781	84%	0.837	S	S	*	*			trans	83.6	153.4	131.2	-140	1.5	0	0	0	121.8
212	L	48.6	Very low	38.6	Very low	166 Å²	166	149.4 Å²	149.4	87%	0.869	83%	0.83	S	S	*	*			trans	-120.1	78.4	-171.5	-74	166.2	0	0	0	110.5
213	L	44.3	Very low	38.6	Very low	145 Å²	145	147.2 Å²	147.2	76%	0.759	83%	0.825	S	S	*	*			trans	-104.8	110.4	174.2	-102	68.7	0	0	0	112
214	I	45.8	Very low	38.6	Very low	174 Å²	174	143.1 Å²	143.1	89%	0.892	82%	0.822	S	S	*	*			trans	-96	97.4	160.9	-59.8	172.8	0	0	0	106.8
215	H	37.1	Very low	38.8	Very low	143 Å²	143	137.2 Å²	137.2	66%	0.662	81%	0.807	S	S	*	*			trans	-158.5	109.8	163	-150.9	-82.4	0	0	0	111.1
216	D	38.4	Very low	39	Very low	140 Å²	140	139.9 Å²	139.9	75%	0.749	80%	0.803	S	S	*	*				-169.6	115	116.2	-104.1	0.6	0	0	0	109.4
217	L	47.5	Very low	39	Very low	175 Å²	175	143 Å²	143	92%	0.916	80%	0.799	S	S	*	*			trans	-148.9	46.8	174.3	-164.8	75.3	0	0	0	109.1
218	D	45.7	Very low	39	Very low	144 Å²	144	142.6 Å²	142.6	77%	0.77	80%	0.796	S	S	*	*			trans	-138.3	28.5	-173.5	-145.7	-135.8	0	0	0	111.6
219	D	43.4	Very low	38.6	Very low	157 Å²	157	139.9 Å²	139.9	84%	0.84	79%	0.791	S	S	*	*			trans	-131.1	50.1	-174.1	-164.7	36.6	0	0	0	113
220	D	44.3	Very low	38.5	Very low	165 Å²	165	141.4 Å²	141.4	88%	0.882	79%	0.788	S	S	*	*	S	Bend	trans	-147.2	33.5	164.5	-164.2	33	0	0	0	111.6
221	L	45.5	Very low	38.1	Very low	159 Å²	159	142.4 Å²	142.4	83%	0.832	78%	0.783	S	S	*	*	S	Bend	trans	-135.1	27.2	-179.6	-156.7	99.4	0	0	0	114.9
222	E	37.7	Very low	38	Very low	170 Å²	170	144.2 Å²	144.2	79%	0.794	79%	0.789	S	S	*	*			trans	-164.4	119.1	159.5	-117.2	168.1	-130.8	0	0	111.7
223	M	34.2	Very low	37.2	Very low	158 Å²	158	139.9 Å²	139.9	78%	0.778	78%	0.784	S	S	*	*			trans	173.8	105.3	133.3	-95.8	-54.7	107.4	0	0	114.1
224	S	30.9	Very low	36.5	Very low	114 Å²	114	142.4 Å²	142.4	80%	0.797	79%	0.793	S	S	*	*			trans	-177.2	85	145.1	-169	0	0	0	0	104.8
225	S	35.8	Very low	35.6	Very low	87 Å²	87	141.1 Å²	141.1	61%	0.608	79%	0.787	S	S	*	*				38.9	97.6	83.4	-153.7	0	0	0	0	109.7
226	D	31.7	Very low	35.3	Very low	133 Å²	133	137.7 Å²	137.7	71%	0.711	79%	0.791	S	S	*	*				54.7	98	74	-166.5	47.5	0	0	0	111.3	S228	D226-S228 PolarHBondContact OD1-OG 3.24Å
227	D	33.6	Very low	35	Very low	156 Å²	156	137.6 Å²	137.6	83%	0.834	79%	0.786	S	S	*	*			trans	-138.2	122.9	159.2	-167.8	-65.5	0	0	0	105.5
228	S	32.4	Very low	34.4	Very low	101 Å²	101	135 Å²	135	71%	0.706	78%	0.783	S	S	*	*			trans	-113.8	102.3	-169.8	-80.4	0	0	0	0	110.6	D226	D226-S228 PolarHBondContact OD1-OG 3.24Å
229	D	28.9	Very low	33.8	Very low	144 Å²	144	135.9 Å²	135.9	77%	0.77	78%	0.779	S	S	*	*			trans	-109	134.3	162.5	-160	-33.7	0	0	0	110.6
230	S	30.1	Very low	33.4	Very low	116 Å²	116	132.2 Å²	132.2	81%	0.811	77%	0.771	S	S	*	*			trans	-150	95.7	175.3	55.3	0	0	0	0	110.9
231	S	29.8	Very low	32.8	Very low	97 Å²	97	133.9 Å²	133.9	68%	0.678	77%	0.77	S	S	*	*			trans	-153.4	116.9	174.7	-158.6	0	0	0	0	115.6
232	M	33.2	Very low	32.3	Very low	184 Å²	184	132.7 Å²	132.7	91%	0.906	77%	0.77	S	S	*	*			trans	70.7	137	149.6	-65.5	-65.5	164.1	0	0	122.8
233	G	30.8	Very low	32.1	Very low	75 Å²	75	134 Å²	134	77%	0.773	77%	0.773	S	S	*	*			trans	92.3	134.2	167.7	0	0	0	0	0	115
234	E	28.8	Very low	31.9	Very low	199 Å²	199	136.4 Å²	136.4	93%	0.93	78%	0.779	S	S	*	*			cis	-150	177.9	-11	-170.3	164.4	96.6	0	0	109.2
235	D	27.5	Very low	31.8	Very low	147 Å²	147	134.8 Å²	134.8	79%	0.786	77%	0.773	S	S	*	*			trans	-58.8	163.2	-172.4	-158.4	-86.2	0	0	0	116.3
236	G	30.2	Very low	31.6	Very low	71 Å²	71	137.1 Å²	137.1	73%	0.732	78%	0.783	S	S	*	*			trans	172.3	52.8	-179.8	0	0	0	0	0	116.1	S238	G236-S238 PolarHBondContact O-N 3.08Å
237	E	32.2	Very low	31.9	Very low	137 Å²	137	134.4 Å²	134.4	64%	0.64	79%	0.787	S	S	*	*			trans	-60	132	178.6	-76.5	-139.5	92.4	0	0	114.8	K239	E237-K239 WeakPolarHBondContact OE1-CE 3.5Å; E237-K239 IonicContact OE1-NZ 3.68Å; E237-K239 PolarHBondContact OE1-NZ 3.07Å; E237-K239 IonicContact OE2-NZ 2.87Å; E237-K239 PolarHBondContact OE2-NZ 3.38Å
238	S	35.5	Very low	31.9	Very low	122 Å²	122	137.4 Å²	137.4	85%	0.853	79%	0.792	S	S	*	*			trans	-150.2	124.3	144.4	51.6	0	0	0	0	113.9	G236	G236-S238 PolarHBondContact O-N 3.08Å
239	K	33.9	Very low	31.9	Very low	161 Å²	161	135.9 Å²	135.9	70%	0.7	79%	0.793	S	S	*	*			trans	-95.3	159.6	178.6	-63.5	169	175.9	100.3	0	109.3	E237	E237-K239 WeakPolarHBondContact OE1-CE 3.5Å; E237-K239 IonicContact OE1-NZ 3.68Å; E237-K239 PolarHBondContact OE1-NZ 3.07Å; E237-K239 IonicContact OE2-NZ 2.87Å; E237-K239 PolarHBondContact OE2-NZ 3.38Å
240	A	33.2	Very low	32.1	Very low	80 Å²	80	138.5 Å²	138.5	66%	0.661	80%	0.797	S	S	*	*			cis	-178	176.4	-20.3	0	0	0	0	0	109.1
241	K	32.8	Very low	32.3	Very low	200 Å²	200	137.6 Å²	137.6	87%	0.87	79%	0.791	S	S	*	*			trans	74.4	153.8	169.3	-41.9	175.7	-174.5	175.2	0	113.9
242	T	35.6	Very low	32.6	Very low	135 Å²	135	142.2 Å²	142.2	83%	0.828	80%	0.799	S	S	*	*			cis	-138.6	155.6	16	-62.3	0	0	0	0	111.7
243	K	31.9	Very low	32.7	Very low	196 Å²	196	142.4 Å²	142.4	85%	0.852	80%	0.795	S	S	*	*			trans	-107.1	163.4	175.7	-73.1	-177.8	177.1	176.9	0	112.6
244	K	30.6	Very low	32.9	Very low	210 Å²	210	147.5 Å²	147.5	91%	0.913	80%	0.796	S	S	*	*			trans	75.8	153.4	172.8	-70.8	-178.4	173.8	177.9	0	115
245	A	29.8	Very low	33.3	Very low	80 Å²	80	145.6 Å²	145.6	66%	0.661	78%	0.784	S	S	*	*			cis	-139.1	144.4	15.9	0	0	0	0	0	116.6
246	T	30.9	Very low	33.7	Very low	135 Å²	135	146.4 Å²	146.4	83%	0.828	78%	0.783	S	S	*	*			trans	47.2	114.3	143.7	53.7	0	0	0	0	121.7
247	G	38	Very low	33.9	Very low	77 Å²	77	151.6 Å²	151.6	79%	0.794	79%	0.786	S	S	*	*			trans	-95.7	169	137.2	0	0	0	0	0	112.5
248	K	32.6	Very low	33.7	Very low	218 Å²	218	150.8 Å²	150.8	95%	0.948	80%	0.795	S	S	*	*			trans	-151.7	146.1	164.9	-89.2	177.8	175.7	174.6	0	105.8
249	G	33.7	Very low	33.4	Very low	69 Å²	69	151.7 Å²	151.7	71%	0.711	79%	0.79	S	S	*	*			cis	166.5	145.2	-2	0	0	0	0	0	106.8
250	K	33.3	Very low	33.3	Very low	199 Å²	199	151.5 Å²	151.5	87%	0.865	80%	0.797	S	S	*	*				179	130.6	76.7	-84.3	171.1	-179.2	176.3	0	106.4
251	S	34.7	Very low	33.5	Very low	98 Å²	98	156.2 Å²	156.2	69%	0.685	80%	0.803	S	S	*	*				59.4	132.7	82.5	83.5	0	0	0	0	114.8
252	K	34.8	Very low	33.5	Very low	193 Å²	193	155.9 Å²	155.9	84%	0.839	80%	0.804	S	S	*	*			cis	-144.7	144.9	23.6	-74.9	177.6	179.9	174.7	0	111
253	K	35.9	Very low	33.9	Very low	188 Å²	188	153.9 Å²	153.9	82%	0.817	80%	0.802	S	S	*	*				56.6	116.7	87.7	-95.9	-163.6	175.5	-177.5	0	115
254	K	35.6	Very low	33.9	Very low	182 Å²	182	152.7 Å²	152.7	79%	0.791	80%	0.804	S	S	*	*				78.7	147.7	79.3	-90.2	-161	172.8	-179.9	0	114.1
255	K	36.5	Very low	34.5	Very low	160 Å²	160	151.7 Å²	151.7	70%	0.696	80%	0.802	S	S	*	*			cis	-172	168.8	-8.3	-170.4	-158.3	166.9	-169.5	0	108.5
256	Q	36.2	Very low	34.9	Very low	164 Å²	164	155 Å²	155	77%	0.766	81%	0.809	S	S	*	*			trans	99.1	132	161.2	-62	175.1	-125.7	0	0	114
257	K	35.1	Very low	35.5	Very low	180 Å²	180	153.5 Å²	153.5	78%	0.783	80%	0.804	S	S	*	*			cis	82.3	93.7	32.1	-166.7	-175.8	177.4	176.9	0	114.6
258	S	27	Very low	36	Very low	120 Å²	120	157.5 Å²	157.5	84%	0.839	81%	0.807	S	S	*	*			trans	-119.1	174.9	138.6	48.8	0	0	0	0	108.1
259	N	30.5	Very low	36.2	Very low	140 Å²	140	154.7 Å²	154.7	75%	0.749	80%	0.803	S	S	*	*			trans	-154	129.8	179.1	176.8	81.8	0	0	0	107.4
260	D	30.3	Very low	36.7	Very low	158 Å²	158	154.4 Å²	154.4	85%	0.845	80%	0.8	S	S	*	*			trans	-149.6	163.5	173.7	-133.7	-36.3	0	0	0	111.9
261	K	37.5	Very low	37	Very low	178 Å²	178	152.7 Å²	152.7	77%	0.774	80%	0.8	S	S	*	*			trans	-100.1	150.2	179.1	-66.3	178	175.2	-179.1	0	110.4
262	E	34	Very low	37.2	Very low	193 Å²	193	157.2 Å²	157.2	90%	0.902	80%	0.803	S	S	*	*				-176	-178.3	96.9	-94.3	-172.9	171.3	0	0	110.1
263	A	42.5	Very low	37.9	Very low	94 Å²	94	157.2 Å²	157.2	78%	0.777	81%	0.806	S	S	*	*			trans	-100.5	149.8	-168.4	0	0	0	0	0	112.9
264	L	32.7	Very low	38.6	Very low	171 Å²	171	151.6 Å²	151.6	90%	0.895	80%	0.801	S	S	*	*			trans	-151.1	154.6	147.4	-148.6	70.7	0	0	0	110.1
265	E	43.7	Very low	38.9	Very low	188 Å²	188	149.3 Å²	149.3	88%	0.879	80%	0.797	S	S	*	*			trans	-94.9	123.1	172	-62.5	171.7	128.9	0	0	109.2
266	D	36.9	Very low	39.3	Very low	150 Å²	150	150.9 Å²	150.9	80%	0.802	81%	0.807	S	S	*	*			trans	-150.9	125.4	156.1	-110.6	-20.5	0	0	0	103.4
267	S	43.6	Very low	39.7	Very low	104 Å²	104	149.2 Å²	149.2	73%	0.727	81%	0.808	S	S	*	*			cis	76.3	126.1	38.6	-158	0	0	0	0	113.4
268	D	48.7	Very low	40.1	Very low	160 Å²	160	149 Å²	149	86%	0.856	82%	0.815	S	S	*	*			trans	70.2	159.7	171.6	-140.8	0.1	0	0	0	119.3
269	D	36.4	Very low	41	Very low	160 Å²	160	152 Å²	152	86%	0.856	81%	0.81	S	S	*	*			trans	58.4	126.8	171.8	-143.5	35.1	0	0	0	118
270	G	44.8	Very low	41.3	Very low	63 Å²	63	153.2 Å²	153.2	65%	0.649	81%	0.812	S	S	*	*			cis	165	109.4	-4.2	0	0	0	0	0	109.9
271	D	40	Very low	41.8	Very low	163 Å²	163	151 Å²	151	87%	0.872	81%	0.81	S	S	*	*			trans	-153.3	57.5	-173.3	-150.2	3.7	0	0	0	113
272	Y	39.6	Very low	42.2	Very low	193 Å²	193	150.5 Å²	150.5	76%	0.757	81%	0.81	S	S	*	*			trans	-126.5	45.8	169.3	-163.2	-101.3	0	0	0	112.1
273	E	48.9	Very low	42.4	Very low	193 Å²	193	149.9 Å²	149.9	90%	0.902	81%	0.807	S	S	*	*			trans	-89.4	113.4	161.9	-65.4	-162.4	151.1	0	0	109.2
274	G	49.7	Very low	42.1	Very low	69 Å²	69	150.5 Å²	150.5	71%	0.711	81%	0.806	S	S	*	*			trans	162.6	4.3	177.6	0	0	0	0	0	119.3
275	L	42.8	Very low	42.3	Very low	134 Å²	134	147.9 Å²	147.9	70%	0.702	80%	0.802	S	S	*	*			trans	-126.1	82.8	170.6	-139.5	81.5	0	0	0	111.1	V277	L275-V277 PolarHBondContact O-N 2.88Å
276	E	44.5	Very low	41.5	Very low	193 Å²	193	144.9 Å²	144.9	90%	0.902	80%	0.802	S	S	*	*			trans	-55.2	130	173.9	-64.7	170	175.9	0	0	110.4
277	V	44.3	Very low	41.3	Very low	130 Å²	130	144.7 Å²	144.7	79%	0.788	80%	0.801	S	S	*	*			trans	-101	114.8	172.7	-82.1	0	0	0	0	109.4	L275 Y279	L275-V277 PolarHBondContact O-N 2.88Å; V277-Y279 VanDerWaalsContact C-N 3.3Å; V277-Y279 PolarHBondContact O-N 3.37Å
278	D	44.3	Very low	41	Very low	176 Å²	176	147.4 Å²	147.4	94%	0.941	80%	0.802	S	S	*	*			trans	-64	92	166.3	-75.7	-45.1	0	0	0	108.9
279	Y	45.3	Very low	40.4	Very low	183 Å²	183	147.2 Å²	147.2	72%	0.718	80%	0.796	S	S	*	*			trans	-102.1	151.6	169.9	-159.1	-101.6	0	0	0	109.3	V277	V277-Y279 VanDerWaalsContact C-N 3.3Å; V277-Y279 PolarHBondContact O-N 3.37Å
280	M	36.9	Very low	41	Very low	164 Å²	164	144.2 Å²	144.2	81%	0.808	79%	0.785	S	S	*	*			trans	71.9	144.3	-165.4	-44.7	-177.6	-174.4	0	0	113.7
281	S	40.2	Very low	40.4	Very low	113 Å²	113	146.7 Å²	146.7	79%	0.79	79%	0.788	S	S	*	*			cis	-121.9	133.5	5.5	-60.6	0	0	0	0	112.9
282	E	46.4	Very low	39.9	Very low	167 Å²	167	145.1 Å²	145.1	78%	0.78	78%	0.779	S	S	*	*			trans	-84.1	124.3	144.8	60.3	-154.5	118.4	0	0	108.3
283	E	37.1	Very low	39.5	Very low	179 Å²	179	144 Å²	144	84%	0.836	78%	0.781	S	S	*	*			trans	-160.4	148.7	166.5	-171.2	56.2	-84.4	0	0	108.9
284	S	36.8	Very low	38.8	Very low	108 Å²	108	144.4 Å²	144.4	76%	0.755	78%	0.78	S	S	*	*			trans	-88.2	151.4	-170.5	-171.8	0	0	0	0	114.2
285	S	37.4	Very low	38.6	Very low	116 Å²	116	146.2 Å²	146.2	81%	0.811	78%	0.779	S	S	*	*			trans	151.2	125.1	135.5	-175.4	0	0	0	0	114.3
286	S	27.6	Very low	38	Very low	125 Å²	125	145 Å²	145	87%	0.874	78%	0.781	S	S	*	*			trans	-163.3	152.2	141.2	-168.7	0	0	0	0	109.8
287	D	32.6	Very low	37.4	Very low	145 Å²	145	145 Å²	145	78%	0.775	78%	0.779	S	S	*	*			trans	-121.9	175.2	-166.4	-165.8	-166.3	0	0	0	113.2
288	E	35.7	Very low	36.8	Very low	161 Å²	161	143.1 Å²	143.1	75%	0.752	78%	0.776	S	S	*	*			trans	71.2	115.6	168.5	-62.9	-141.9	112.3	0	0	121.1
289	E	37.9	Very low	36.2	Very low	156 Å²	156	143 Å²	143	73%	0.729	77%	0.77	S	S	*	*				43.9	159.5	112.3	-81.3	-77.2	117.9	0	0	121	T291	E289-T291 PolarHBondContact OE2-N 2.9Å
290	P	47.2	Very low	35.5	Very low	97 Å²	97	143.7 Å²	143.7	63%	0.63	78%	0.78	S	S	*	*			cis	-143.5	166.4	24.9	44.7	-26	0	0	0	120.9
291	T	33	Very low	35.1	Very low	116 Å²	116	144.2 Å²	144.2	71%	0.712	78%	0.78	S	S	*	*			trans	74.1	148.9	159.7	79.3	0	0	0	0	118.1	E289	E289-T291 PolarHBondContact OE2-N 2.9Å
292	N	29.9	Very low	35.6	Very low	129 Å²	129	143 Å²	143	69%	0.69	77%	0.77	S	S	*	*			cis	-150.6	156.1	3.2	-154.3	13.1	0	0	0	114.1
293	E	31.5	Very low	34.9	Very low	170 Å²	170	144.9 Å²	144.9	79%	0.794	78%	0.775	S	S	*	*			trans	71.2	156.9	161.6	-39.6	-155.2	172.2	0	0	121.8
294	K	33.9	Very low	34.5	Very low	201 Å²	201	139.3 Å²	139.3	87%	0.874	77%	0.765	S	S	*	*			trans	-139.2	178.7	-166.2	-98.4	179.1	-179.3	170.2	0	108.4
295	P	45.6	Very low	34.2	Very low	108 Å²	108	141.8 Å²	141.8	70%	0.701	77%	0.769	S	S	*	*			cis	-140.5	177.6	14.4	39.7	-19.7	0	0	0	118
296	S	30	Very low	34.1	Very low	107 Å²	107	143 Å²	143	75%	0.748	77%	0.766	S	S	*	*			trans	51.2	126.9	149.9	53.9	0	0	0	0	121
297	K	32.8	Very low	34.4	Very low	195 Å²	195	145.2 Å²	145.2	85%	0.848	76%	0.763	S	S	*	*			cis	90.4	102.6	28.9	-165	-161.7	173.5	-170.1	0	116.5
298	A	30.1	Very low	34.6	Very low	89 Å²	89	142.9 Å²	142.9	74%	0.736	76%	0.763	S	S	*	*			trans	-150.8	128.6	145.7	0	0	0	0	0	105.7
299	E	32.1	Very low	34.3	Very low	174 Å²	174	139.7 Å²	139.7	81%	0.813	76%	0.759	S	S	*	*				55.1	100.9	83.9	-67.4	-165.5	160	0	0	115
300	E	31.2	Very low	33.7	Very low	198 Å²	198	140.4 Å²	140.4	93%	0.925	76%	0.762	S	S	*	*				-168.8	167.6	108.8	-116.5	-173.8	140.7	0	0	114.2
301	H	28.8	Very low	32.8	Very low	175 Å²	175	140.5 Å²	140.5	81%	0.81	77%	0.765	S	S	*	*			trans	-109.8	-175.7	168	-104.5	-97.5	0	0	0	107.1
302	P	50.8	Low	32.7	Very low	88 Å²	88	143.2 Å²	143.2	57%	0.571	77%	0.77	S	S	*	*			cis	-135.9	-164.4	-29.1	37.8	-18.5	0	0	0	112.6
303	K	31.3	Very low	32.4	Very low	206 Å²	206	145.3 Å²	145.3	90%	0.896	78%	0.775	S	S	*	*			trans	68	166.4	161.2	-64.9	167.8	-174.6	176.3	0	115.1
304	G	28.9	Very low	32.1	Very low	61 Å²	61	144.2 Å²	144.2	63%	0.629	78%	0.775	S	S	*	*			cis	142.5	159.9	-2	0	0	0	0	0	110.6
305	I	31.2	Very low	31.9	Very low	160 Å²	160	139.2 Å²	139.2	82%	0.821	77%	0.765	S	S	*	*			trans	72.1	134.8	-162	-117.5	79.9	0	0	0	110.9
306	D	33.4	Very low	31.3	Very low	142 Å²	142	143.8 Å²	143.8	76%	0.759	78%	0.777	S	S	*	*			cis	77.3	145.2	8.8	-146.2	9.1	0	0	0	117.6
307	E	35.5	Very low	31.3	Very low	172 Å²	172	145.6 Å²	145.6	80%	0.804	77%	0.774	S	S	*	*			trans	60.1	130.3	-169.9	-56.1	-172.3	130.4	0	0	114.3
308	A	35.4	Very low	31.3	Very low	95 Å²	95	143.1 Å²	143.1	79%	0.785	77%	0.765	S	S	*	*			cis	98.6	100.8	30.2	0	0	0	0	0	114.3
309	S	30.3	Very low	31.4	Very low	95 Å²	95	144.7 Å²	144.7	66%	0.664	76%	0.756	S	S	*	*			trans	-160	141.8	157	-89.6	0	0	0	0	105.8
310	E	26.1	Very low	31.3	Very low	171 Å²	171	143.9 Å²	143.9	80%	0.799	75%	0.752	S	S	*	*				60.4	137.7	65.1	-53.4	160.6	130.5	0	0	112
311	S	26.6	Very low	31	Very low	98 Å²	98	140.4 Å²	140.4	69%	0.685	74%	0.739	S	S	*	*			cis	-170.5	-165	-20.4	43.9	0	0	0	0	106.4
312	E	30.6	Very low	31.2	Very low	174 Å²	174	139 Å²	139	81%	0.813	73%	0.733	S	S	*	*			trans	68.6	164.1	170.6	-55	175.7	174.3	0	0	116.1
313	E	24.5	Very low	30.3	Very low	173 Å²	173	143.3 Å²	143.3	81%	0.808	75%	0.746	S	S	*	*			cis	-161.5	-177.3	-45.7	-167.4	153.1	-173.6	0	0	107.5
314	D	26.1	Very low	30.4	Very low	147 Å²	147	141.5 Å²	141.5	79%	0.786	74%	0.741	S	S	*	*			trans	65.3	124.7	176.3	-103.7	14.5	0	0	0	116.8
315	S	29.3	Very low	30.5	Very low	96 Å²	96	141.7 Å²	141.7	67%	0.671	74%	0.736	S	S	*	*			cis	98.3	118	26.7	-169.1	0	0	0	0	113.8
316	E	31.5	Very low	30.5	Very low	203 Å²	203	141.4 Å²	141.4	95%	0.949	73%	0.729	S	S	*	*			trans	-152.3	143	138.9	-120.3	179.3	-179.3	0	0	108
317	E	30.7	Very low	30.3	Very low	146 Å²	146	141.3 Å²	141.3	68%	0.682	72%	0.724	S	S	*	*			trans	-119.8	-165.6	-167.2	-136.7	-147.2	132.5	0	0	112.5	K319	E317-K319 IonicContact OE1-NZ 3.31Å; E317-K319 PolarHBondContact OE1-NZ 3.43Å; E317-K319 IonicContact OE2-NZ 3.65Å; E317-K319 PolarHBondContact OE2-NZ 2.89Å
318	E	33.8	Very low	30.1	Very low	143 Å²	143	141.3 Å²	141.3	67%	0.668	72%	0.724	S	S	*	*			trans	85.3	110.3	176.1	-54.8	-73.5	88.5	0	0	115.7
319	K	32.1	Very low	29.8	Very low	121 Å²	121	145.7 Å²	145.7	53%	0.526	73%	0.728	S	S	.	*				81.3	150.3	52.9	-72.1	-163.7	-161.1	70.3	0	113.5	E317	E317-K319 IonicContact OE1-NZ 3.31Å; E317-K319 PolarHBondContact OE1-NZ 3.43Å; E317-K319 IonicContact OE2-NZ 3.65Å; E317-K319 PolarHBondContact OE2-NZ 2.89Å
320	Q	28.5	Very low	29.7	Very low	158 Å²	158	149.9 Å²	149.9	74%	0.738	74%	0.737	S	S	*	*			cis	-171.3	-169.9	-31.2	-121.2	173.4	-26.8	0	0	107.5
321	N	26.3	Very low	29.9	Very low	124 Å²	124	151.5 Å²	151.5	66%	0.663	75%	0.745	S	S	*	*			trans	96.9	139.6	164.2	-69.3	46.5	0	0	0	119.4
322	E	32.4	Very low	30.1	Very low	145 Å²	145	155.2 Å²	155.2	68%	0.678	75%	0.752	S	S	*	*			cis	-170.5	155.8	-26.5	-125	168.2	-167.2	0	0	109.8
323	E	32.5	Very low	30	Very low	180 Å²	180	153.1 Å²	153.1	84%	0.841	74%	0.742	S	S	*	*			trans	37.4	166.1	153.1	-68.2	-177.7	153.7	0	0	121.3
324	E	33.1	Very low	30.1	Very low	168 Å²	168	147.5 Å²	147.5	79%	0.785	73%	0.73	S	S	*	*			cis	-129.1	-176.2	10.8	-144.7	-152.9	134.7	0	0	107.4
325	A	30.8	Very low	30.4	Very low	65 Å²	65	148.1 Å²	148.1	54%	0.537	73%	0.726	S	S	.	*			cis	-163.7	168.9	8.9	0	0	0	0	0	111.5
326	K	31.1	Very low	30.4	Very low	153 Å²	153	152 Å²	152	67%	0.665	73%	0.731	S	S	*	*			trans	49	140.3	143.2	-75	-170.1	176.4	-69	0	121.5
327	E	29.9	Very low	30.2	Very low	140 Å²	140	148.8 Å²	148.8	65%	0.654	73%	0.725	S	S	*	*			cis	-164.2	-170.8	-12.9	-146.2	146.6	-129.7	0	0	110
328	E	31.1	Very low	30.6	Very low	172 Å²	172	146.8 Å²	146.8	80%	0.804	73%	0.725	S	S	*	*			trans	-54.5	172.2	-172.9	-67.8	162	148.2	0	0	116.1
329	E	29.1	Very low	30.4	Very low	187 Å²	187	145.9 Å²	145.9	87%	0.874	73%	0.729	S	S	*	*			cis	-162.7	165.6	38.3	-160.1	172.1	-153.1	0	0	112.9
330	E	27.8	Very low	30.3	Very low	183 Å²	183	148.1 Å²	148.1	86%	0.855	74%	0.741	S	S	*	*			trans	-96.3	150.3	168.5	-66.7	-171.3	124.8	0	0	111.7
331	E	30.4	Very low	30.4	Very low	206 Å²	206	148.4 Å²	148.4	96%	0.963	75%	0.745	S	S	*	*			trans	-159.9	169.3	130.5	-124.9	-172	-175.3	0	0	113.1
332	E	29.9	Very low	30.5	Very low	176 Å²	176	148.5 Å²	148.5	82%	0.822	74%	0.741	S	S	*	*			trans	-113.2	-156.3	-165.2	-148.7	-146.7	155.3	0	0	113.6
333	E	28.5	Very low	30.7	Very low	129 Å²	129	148.4 Å²	148.4	60%	0.603	74%	0.738	S	S	*	*			trans	68.1	145	175.7	-69.6	-90.2	74.5	0	0	117.8	K335	E333-K335 WeakPolarHBondContact OE1-CD 3.37Å; E333-K335 WeakPolarHBondContact OE1-CE 3.42Å; E333-K335 IonicContact OE1-NZ 3.5Å; E333-K335 PolarHBondContact OE1-NZ 3.44Å; E333-K335 IonicContact OE2-NZ 3.61Å; E333-K335 PolarHBondContact OE2-NZ 3.41Å
334	G	27.6	Very low	30.9	Very low	55 Å²	55	148.4 Å²	148.4	57%	0.567	74%	0.736	S	S	*	*			cis	155.4	134.7	-10.6	0	0	0	0	0	114.9
335	K	31.2	Very low	30.9	Very low	160 Å²	160	149.9 Å²	149.9	70%	0.696	74%	0.739	S	S	*	*			trans	68.1	165.4	159.7	-56.5	133.5	-179.4	167	0	117	E333	E333-K335 WeakPolarHBondContact OE1-CD 3.37Å; E333-K335 WeakPolarHBondContact OE1-CE 3.42Å; E333-K335 IonicContact OE1-NZ 3.5Å; E333-K335 PolarHBondContact OE1-NZ 3.44Å; E333-K335 IonicContact OE2-NZ 3.61Å; E333-K335 PolarHBondContact OE2-NZ 3.41Å
336	K	30.7	Very low	31.2	Very low	178 Å²	178	156.2 Å²	156.2	77%	0.774	76%	0.755	S	S	*	*				-170.7	116.4	-56.2	-108.8	163.7	-177.4	172.4	0	110.3
337	T	27.3	Very low	31.4	Very low	135 Å²	135	156.6 Å²	156.6	83%	0.828	76%	0.756	S	S	*	*			trans	62.9	-175.7	156	70.3	0	0	0	0	115.7
338	P	37.8	Very low	31.4	Very low	105 Å²	105	155.6 Å²	155.6	68%	0.682	76%	0.756	S	S	*	*			cis	-138.9	151.8	-2.5	41.8	-23	0	0	0	119
339	V	29.7	Very low	31.5	Very low	124 Å²	124	152.2 Å²	152.2	75%	0.752	75%	0.751	S	S	*	*				64.5	140.8	128.6	177.9	0	0	0	0	123.3
340	Q	30.6	Very low	31.8	Very low	167 Å²	167	148.5 Å²	148.5	78%	0.78	75%	0.746	S	S	*	*			trans	95.4	114.3	151.2	-96	166.2	49.8	0	0	124.1
341	M	29.9	Very low	32	Very low	165 Å²	165	143.2 Å²	143.2	81%	0.813	74%	0.74	S	S	*	*				66.2	139.5	124.2	-88.8	-173.5	162.1	0	0	125.9
342	E	29.7	Very low	32.1	Very low	125 Å²	125	142.4 Å²	142.4	58%	0.584	74%	0.736	S	S	*	*			trans	68.2	103.8	139.5	-68.1	-74.6	86.8	0	0	122.9
343	K	36.3	Very low	32.5	Very low	143 Å²	143	139.2 Å²	139.2	62%	0.622	73%	0.733	S	S	*	*				55	115.2	127.1	-66.9	-174.9	-177.2	86.8	0	122
344	K	36.3	Very low	33	Very low	181 Å²	181	139.6 Å²	139.6	79%	0.787	74%	0.74	S	S	*	*				85.7	131.9	125.7	-70.4	177.4	178	178.8	0	122
345	K	33.4	Very low	33.4	Very low	199 Å²	199	141.9 Å²	141.9	87%	0.865	75%	0.747	S	S	*	*			trans	84.8	134.9	147.6	-78.6	-176.4	173.4	-174.8	0	120.4
346	K	37	Very low	33.9	Very low	197 Å²	197	139.3 Å²	139.3	86%	0.857	75%	0.749	S	S	*	*			trans	-0.8	150.7	143.8	-52.7	-170.8	175.8	-167.4	0	117
347	K	34.5	Very low	34.5	Very low	162 Å²	162	138 Å²	138	70%	0.704	75%	0.75	S	S	*	*				-172.9	178.9	53.3	-167	178.8	153	-87	0	111.1
348	D	30.1	Very low	35	Very low	119 Å²	119	137.7 Å²	137.7	64%	0.636	74%	0.744	S	S	*	*			trans	76.2	154.7	159.7	-64.2	-49.2	0	0	0	116.7
349	S	34.1	Very low	35.3	Very low	100 Å²	100	137 Å²	137	70%	0.699	74%	0.742	S	S	*	*			cis	-176.6	160.4	-22.7	-159.1	0	0	0	0	107.1
350	S	35.6	Very low	35.7	Very low	110 Å²	110	138 Å²	138	77%	0.769	74%	0.742	S	S	*	*			cis	-170.6	157.5	-7.8	22.3	0	0	0	0	110.1
351	G	31.2	Very low	36.2	Very low	71 Å²	71	137 Å²	137	73%	0.732	74%	0.741	S	S	*	*			trans	101.7	151.5	144.5	0	0	0	0	0	118.4
352	E	33.1	Very low	36.6	Very low	189 Å²	189	138.3 Å²	138.3	88%	0.883	75%	0.745	S	S	*	*			cis	-153.8	152.5	-8	-60.1	-168.7	117	0	0	110.9
353	S	37.1	Very low	36.8	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	75%	0.753	S	S	*	*			trans	60.2	151.2	152.5	-79.1	0	0	0	0	122.3
354	D	40.2	Very low	37	Very low	138 Å²	138	137.8 Å²	137.8	74%	0.738	77%	0.765	S	S	*	*			cis	-159.4	-178.9	-2.6	-136.7	-87.6	0	0	0	115.3
355	S	35.3	Very low	36.8	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	77%	0.766	S	S	*	*			trans	78.5	96.3	168.1	-151.8	0	0	0	0	117.4
356	S	42.8	Very low	36.9	Very low	105 Å²	105	131 Å²	131	73%	0.734	77%	0.765	S	S	*	*				82.6	140.4	78.1	-66.7	0	0	0	0	113.9
357	D	41.6	Very low	36.7	Very low	150 Å²	150	127.1 Å²	127.1	80%	0.802	76%	0.764	S	S	*	*			cis	-150.5	153.7	26.6	-159.4	-146.2	0	0	0	114.4
358	D	37.7	Very low	36.7	Very low	130 Å²	130	123.8 Å²	123.8	70%	0.695	77%	0.766	S	S	*	*			trans	10.4	131.6	169.6	-105.8	10.2	0	0	0	123.6
359	S	45.3	Very low	37.1	Very low	91 Å²	91	125.6 Å²	125.6	64%	0.636	78%	0.775	S	S	*	*				70.4	140.9	74	-45.7	0	0	0	0	113.5
360	D	38.2	Very low	37	Very low	144 Å²	144	130.1 Å²	130.1	77%	0.77	78%	0.783	S	S	*	*			cis	-161.1	167.1	30.7	-124.5	-15.7	0	0	0	108.2
361	I	40.4	Very low	37.1	Very low	145 Å²	145	133 Å²	133	74%	0.744	79%	0.786	S	S	*	*			cis	-160.4	151.6	-0.8	-168.8	160.3	0	0	0	110.3
362	E	38.2	Very low	37.3	Very low	193 Å²	193	138.2 Å²	138.2	90%	0.902	79%	0.788	S	S	*	*			trans	-90.7	163.6	169.9	-65.2	-172.8	141.4	0	0	111.5
363	G	35.2	Very low	37.5	Very low	74 Å²	74	138.4 Å²	138.4	76%	0.763	79%	0.786	S	S	*	*			cis	174.1	-138.4	6	0	0	0	0	0	111.8
364	E	39.4	Very low	37.4	Very low	183 Å²	183	145 Å²	145	86%	0.855	79%	0.794	S	S	*	*			trans	-29.3	148.4	-176.5	-47.9	-173.1	121.1	0	0	120.1
365	T	31.7	Very low	37.5	Very low	135 Å²	135	144 Å²	144	83%	0.828	79%	0.793	S	S	*	*				173.4	153.3	108.7	33.6	0	0	0	0	115.5
366	A	35.8	Very low	38.8	Very low	102 Å²	102	144.4 Å²	144.4	84%	0.843	79%	0.794	S	S	*	*			trans	65.3	154.8	144.7	0	0	0	0	0	122.3
367	S	33.4	Very low	39.7	Very low	117 Å²	117	144.3 Å²	144.3	82%	0.818	79%	0.791	S	S	*	*			trans	-104.7	158.9	-168	-53.8	0	0	0	0	114.8
368	A	35	Very low	39.6	Very low	92 Å²	92	145.3 Å²	145.3	76%	0.76	79%	0.788	S	S	*	*			trans	87.9	163.7	142.7	0	0	0	0	0	121.1
369	L	38.2	Very low	40.1	Very low	157 Å²	157	149.5 Å²	149.5	82%	0.822	79%	0.794	S	S	*	*			trans	81.7	97.9	163.8	-64.1	162.6	0	0	0	120.1
370	F	31.1	Very low	40.2	Very low	195 Å²	195	150 Å²	150	86%	0.855	80%	0.795	S	S	*	*				49	113.2	123.6	-102.5	-97.1	0	0	0	120.6
371	M	39.3	Very low	39.8	Very low	170 Å²	170	147.2 Å²	147.2	84%	0.837	80%	0.8	S	S	*	*				178.8	159.2	120.6	-95.5	179	68.8	0	0	109.2
372	K	35.2	Very low	39.5	Very low	181 Å²	181	143.8 Å²	143.8	79%	0.787	80%	0.801	S	S	*	*			cis	-168.3	134.5	-31.9	179.6	169.6	-178.3	174.5	0	107.1
373	K	35.8	Very low	39.5	Very low	192 Å²	192	147.3 Å²	147.3	84%	0.835	81%	0.806	S	S	*	*			trans	-45	142.1	-174.9	-63.4	173.5	176.9	175.3	0	115.2
374	R	36.2	Very low	39.3	Very low	247 Å²	247	147.6 Å²	147.6	93%	0.932	81%	0.809	S	S	*	*				-154.8	150.4	125	-112.4	170.3	-179.3	-169.5	-1.7	112.8
375	T	42.8	Very low	39.1	Very low	117 Å²	117	145 Å²	145	72%	0.718	81%	0.811	S	S	*	*			trans	-165.8	-174.8	-162.3	54	0	0	0	0	107.8
376	P	62.2	Low	39.2	Very low	112 Å²	112	143.7 Å²	143.7	73%	0.727	81%	0.814	S	S	*	*				-119.6	-127.2	-50.4	31	-7.9	0	0	0	106.8
377	P	60.6	Low	38.9	Very low	104 Å²	104	142.5 Å²	142.5	68%	0.675	81%	0.811	S	S	*	*			cis	-121.8	-130.6	-25.3	24	3.3	0	0	0	112.5
378	K	40.2	Very low	39	Very low	171 Å²	171	142.2 Å²	142.2	74%	0.743	81%	0.81	S	S	*	*			cis	-169.9	114.8	11	-152.6	175.5	-159.9	174.6	0	115.7
379	R	47.9	Very low	39.1	Very low	218 Å²	218	142.7 Å²	142.7	82%	0.823	81%	0.807	S	S	*	*			trans	69.8	170.5	143.2	-75.8	-173.9	79.5	-168.3	6.6	120.2
380	P	47.9	Very low	39.1	Very low	101 Å²	101	146 Å²	146	66%	0.656	81%	0.808	S	S	*	*			cis	-147.4	162.2	-37.1	38.4	-20.9	0	0	0	118.4
381	G	29.7	Very low	39.3	Very low	85 Å²	85	143.5 Å²	143.5	88%	0.876	81%	0.81	S	S	*	*			trans	77.1	170.3	135.5	0	0	0	0	0	120.3
382	G	33.1	Very low	38.8	Very low	74 Å²	74	139.3 Å²	139.3	76%	0.763	81%	0.81	S	S	*	*			cis	153.3	121.2	-17.5	0	0	0	0	0	117.4
383	R	38.6	Very low	38.9	Very low	266 Å²	266	136.1 Å²	136.1	100%	1.004	81%	0.811	S	S	*	*			trans	67	142.7	167.6	-73	-179.2	165.6	-177.2	-5.3	119.7
384	G	30.7	Very low	39.3	Very low	80 Å²	80	138.2 Å²	138.2	83%	0.825	81%	0.813	S	S	*	*			trans	161.1	133.4	163.8	0	0	0	0	0	113.1
385	S	36.7	Very low	39.4	Very low	128 Å²	128	132.8 Å²	132.8	90%	0.895	81%	0.81	S	S	*	*			trans	-120.1	148.3	-171.5	-53.3	0	0	0	0	113.8
386	A	33.7	Very low	38.8	Very low	109 Å²	109	131 Å²	131	90%	0.901	81%	0.814	S	S	*	*			trans	169.9	148.3	131.6	0	0	0	0	0	113.6
387	G	29.5	Very low	37.7	Very low	76 Å²	76	131.8 Å²	131.8	78%	0.784	82%	0.817	S	S	*	*			trans	120.8	90.9	144.7	0	0	0	0	0	121.4
388	S	34.1	Very low	36.7	Very low	112 Å²	112	133 Å²	133	78%	0.783	83%	0.826	S	S	*	*			trans	58.2	103.3	136.4	-157.9	0	0	0	0	123.8
389	S	38.8	Very low	36.4	Very low	101 Å²	101	130 Å²	130	71%	0.706	83%	0.826	S	S	*	*				56.7	157.5	122.8	84.3	0	0	0	0	125.2
390	R	36.8	Very low	36	Very low	226 Å²	226	127.6 Å²	127.6	85%	0.853	83%	0.828	S	S	*	*			trans	77.9	83.1	163.4	-68.4	-175.3	145.2	162.7	-3.9	120.4
391	T	36.5	Very low	35.2	Very low	143 Å²	143	129.8 Å²	129.8	88%	0.877	83%	0.834	S	S	*	*				30.5	107.2	125.4	57	0	0	0	0	118.8
392	G	29	Very low	35.5	Very low	82 Å²	82	130.6 Å²	130.6	85%	0.845	83%	0.826	S	S	*	*			trans	-156.1	135.5	174.6	0	0	0	0	0	115.1
393	S	36.3	Very low	35.6	Very low	115 Å²	115	131.5 Å²	131.5	80%	0.804	83%	0.827	S	S	*	*			trans	-62.3	157.6	-175.1	-51.7	0	0	0	0	117.8
394	R	43.2	Very low	35.9	Very low	235 Å²	235	124.3 Å²	124.3	89%	0.887	82%	0.817	S	S	*	*			trans	56.8	129.8	149.8	-72.6	178.7	171.5	-172	-3.1	119.8
395	P	39.8	Very low	36.5	Very low	134 Å²	134	127.1 Å²	127.1	87%	0.87	82%	0.818	S	S	*	*			trans	-71.9	149.3	156.1	32.6	-33	0	0	0	111.1
396	G	29.8	Very low	37.2	Very low	78 Å²	78	125.9 Å²	125.9	80%	0.804	81%	0.81	S	S	*	*			trans	-98.7	174.5	-173	0	0	0	0	0	115.9
397	T	38.9	Very low	38.1	Very low	129 Å²	129	125.4 Å²	125.4	79%	0.791	80%	0.8	S	S	*	*			trans	-87.4	148.7	175	48.5	0	0	0	0	112.4
398	P	40.5	Very low	39.6	Very low	131 Å²	131	127.5 Å²	127.5	85%	0.851	80%	0.797	S	S	*	*			trans	-72	151.5	151	33.6	-32.6	0	0	0	109.9
399	S	32.1	Very low	40.5	Very low	106 Å²	106	129 Å²	129	74%	0.741	80%	0.796	S	S	*	*			trans	-141	125.4	-178.4	177.3	0	0	0	0	111.1
400	I	40.4	Very low	41.5	Very low	169 Å²	169	133.8 Å²	133.8	87%	0.867	80%	0.798	S	S	*	*			trans	-143.5	161.3	150.6	57.2	170.9	0	0	0	109.8
401	D	31.5	Very low	42.4	Very low	146 Å²	146	126.2 Å²	126.2	78%	0.781	78%	0.784	S	S	*	*			trans	-68.7	178	-164.8	-75.2	-81.9	0	0	0	118.7
402	S	36.3	Very low	43.2	Very low	102 Å²	102	122.8 Å²	122.8	71%	0.713	77%	0.771	S	S	*	*			cis	173	107	-37.2	-84.9	0	0	0	0	108.5
403	A	35.4	Very low	44.4	Very low	94 Å²	94	122.1 Å²	122.1	78%	0.777	76%	0.757	S	S	*	*			trans	-163.5	149.4	163.3	0	0	0	0	0	113.5
404	S	44.1	Very low	45.4	Very low	115 Å²	115	120.9 Å²	120.9	80%	0.804	75%	0.748	S	S	*	*	S	Bend	trans	70.3	45	151.9	-57.3	0	0	0	0	121.9
405	T	42.5	Very low	45.9	Very low	138 Å²	138	119 Å²	119	85%	0.847	75%	0.747	S	S	*	*			trans	-147.4	61.1	153.3	52.1	0	0	0	0	114.2
406	S	52.3	Low	46.3	Very low	103 Å²	103	120 Å²	120	72%	0.72	74%	0.744	S	S	*	*			trans	-115.1	-11.9	-176	56.2	0	0	0	0	116.6
407	S	52.6	Low	47	Very low	98 Å²	98	124.5 Å²	124.5	69%	0.685	74%	0.744	S	S	*	*	H	α-helix	trans	-74.7	-55.6	-174.1	-177.9	0	0	0	0	113.5	L409 R410	S407-L409 PolarHBondContact O-N 3.47Å; S407-R410 PolarHBondContact O-N 2.94Å
408	T	60.3	Low	47.2	Very low	120 Å²	120	127.1 Å²	127.1	74%	0.736	75%	0.747	S	S	*	*	H	α-helix	trans	-64.4	-34.5	-164.1	-29	0	0	0	0	114.1
409	L	53.6	Low	47	Very low	143 Å²	143	124.1 Å²	124.1	75%	0.749	74%	0.74	S	S	*	*	H	α-helix	trans	-74.7	-32.5	-175.5	-63.8	175.3	0	0	0	112.8	S407 A412	S407-L409 PolarHBondContact O-N 3.47Å; L409-A412 PolarHBondContact O-N 3.29Å
410	R	59.2	Low	47	Very low	202 Å²	202	128.2 Å²	128.2	76%	0.762	74%	0.744	S	S	*	*	H	α-helix	trans	-70.5	-32.8	179.8	-172.6	171.1	-79.1	-172.9	-4.5	111.9	S407 A412	S407-R410 PolarHBondContact O-N 2.94Å; R410-A412 VanDerWaalsContact C-N 3.32Å; R410-A412 PolarHBondContact O-N 3.48Å
411	A	56.4	Low	46.8	Very low	68 Å²	68	130.3 Å²	130.3	56%	0.562	74%	0.741	S	S	*	*	H	α-helix	trans	-69	-25.3	178.1	0	0	0	0	0	114.2
412	A	53.1	Low	46.9	Very low	71 Å²	71	129.8 Å²	129.8	59%	0.587	73%	0.734	S	S	*	*	H	α-helix	trans	-76.5	-41.1	177.7	0	0	0	0	0	112.3	L409 R410 S414 K415	L409-A412 PolarHBondContact O-N 3.29Å; R410-A412 VanDerWaalsContact C-N 3.32Å; R410-A412 PolarHBondContact O-N 3.48Å; A412-S414 PolarHBondContact O-N 3.22Å; A412-K415 PolarHBondContact O-N 3.33Å
413	A	54.3	Low	46.6	Very low	67 Å²	67	131.4 Å²	131.4	55%	0.554	73%	0.733	S	S	*	*	H	α-helix	trans	-62.2	-42.1	-178	0	0	0	0	0	112.8	K415 L416	A413-K415 PolarHBondContact O-N 2.6Å; A413-L416 PolarHBondContact O-N 3.05Å
414	S	57.2	Low	46.4	Very low	90 Å²	90	134.3 Å²	134.3	63%	0.629	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-7.5	-177.1	-57.3	0	0	0	0	115.3	A412	A412-S414 PolarHBondContact O-N 3.22Å
415	K	54.4	Low	45.6	Very low	196 Å²	196	135.3 Å²	135.3	85%	0.852	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	3	179.3	-75	-167.4	173.1	-174.1	0	115	A412 A413	A412-K415 PolarHBondContact O-N 3.33Å; A413-K415 PolarHBondContact O-N 2.6Å
416	L	46.9	Very low	45	Very low	155 Å²	155	133.7 Å²	133.7	81%	0.812	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-16.5	-179.7	-165.7	57.9	0	0	0	114	A413	A413-L416 PolarHBondContact O-N 3.05Å
417	E	44.5	Very low	43.8	Very low	171 Å²	171	132.2 Å²	132.2	80%	0.799	73%	0.734	S	S	*	*	S	Bend	trans	-96	17	-169.4	-90.9	-74.9	89.2	0	0	115.5
418	Q	43.8	Very low	42.7	Very low	185 Å²	185	134 Å²	134	86%	0.864	74%	0.74	S	S	*	*			trans	-137.5	110.3	176.3	-67	-172.7	-9.8	0	0	111
419	G	36.2	Very low	41.3	Very low	67 Å²	67	135.5 Å²	135.5	69%	0.691	74%	0.744	S	S	*	*			trans	173.2	17.9	-179.5	0	0	0	0	0	118.8
420	K	32.5	Very low	40.3	Very low	192 Å²	192	133.9 Å²	133.9	84%	0.835	75%	0.745	S	S	*	*			trans	-153.5	141.1	170.1	-72.3	97.1	-165.9	178	0	108.9
421	R	35	Very low	39.8	Very low	214 Å²	214	130.4 Å²	130.4	81%	0.808	75%	0.748	S	S	*	*			cis	-134.6	-117.8	-22.1	-96.9	179.6	165.3	178.4	-5.7	105.4
422	Q	33.9	Very low	38.4	Very low	134 Å²	134	132.2 Å²	132.2	63%	0.626	76%	0.763	S	S	*	*			cis	-164.8	136.3	-15.8	-156.6	147.8	-106	0	0	110.2
423	I	30.5	Very low	37.7	Very low	137 Å²	137	133.2 Å²	133.2	70%	0.703	77%	0.772	S	S	*	*			trans	66.9	137.4	160.3	-71.8	166.7	0	0	0	116.6
424	Q	31.5	Very low	36.9	Very low	155 Å²	155	140.3 Å²	140.3	72%	0.724	79%	0.79	S	S	*	*			cis	-155	153.5	-16.3	-105.1	172.7	47.4	0	0	107
425	T	28	Very low	36	Very low	135 Å²	135	147.3 Å²	147.3	83%	0.828	80%	0.803	S	S	*	*				-171	174	87.5	31.8	0	0	0	0	111.5
426	A	28.6	Very low	35.1	Very low	105 Å²	105	145.8 Å²	145.8	87%	0.868	80%	0.803	S	S	*	*			trans	-64.8	164.6	-173.3	0	0	0	0	0	115.2
427	G	26.5	Very low	34.4	Very low	71 Å²	71	147.2 Å²	147.2	73%	0.732	80%	0.803	S	S	*	*			cis	-164.3	-171.9	0.4	0	0	0	0	0	109
428	T	31.4	Very low	34.1	Very low	135 Å²	135	148 Å²	148	83%	0.828	81%	0.809	S	S	*	*			cis	-151.4	155.4	9.5	31.8	0	0	0	0	110.4
429	D	30.6	Very low	33.3	Very low	153 Å²	153	147.3 Å²	147.3	82%	0.818	81%	0.806	S	S	*	*			trans	50.8	148.2	158.7	-88.6	-79.4	0	0	0	125.8
430	S	31.2	Very low	33.5	Very low	109 Å²	109	149.4 Å²	149.4	76%	0.762	81%	0.807	S	S	*	*			trans	179.8	162.7	175.4	-85.2	0	0	0	0	109.4
431	P	49.1	Very low	33.5	Very low	128 Å²	128	146.2 Å²	146.2	83%	0.831	81%	0.809	S	S	*	*			cis	-129.7	179.3	-8.4	39.7	-24.3	0	0	0	113.6
432	A	28	Very low	33.3	Very low	106 Å²	106	141.1 Å²	141.1	88%	0.876	81%	0.806	S	S	*	*			trans	-142.5	140.6	159.2	0	0	0	0	0	111.4
433	A	37.6	Very low	33.3	Very low	93 Å²	93	144.4 Å²	144.4	77%	0.769	82%	0.821	S	S	*	*			trans	-99.2	155.2	-174.9	0	0	0	0	0	113.4
434	K	37.9	Very low	33.5	Very low	215 Å²	215	142.7 Å²	142.7	94%	0.935	82%	0.821	S	S	*	*			trans	-163.1	155.5	147.2	-107.1	145.5	-170.4	176.2	0	113.2
435	R	38.8	Very low	34.1	Very low	237 Å²	237	141.5 Å²	141.5	89%	0.894	83%	0.827	S	S	*	*			trans	-111.3	131.1	178.4	-66.3	155.7	56.8	-160	0.6	109.4
436	L	35.2	Very low	34.4	Very low	164 Å²	164	141 Å²	141	86%	0.859	82%	0.824	S	S	*	*			trans	-142.8	131.8	160.4	-64.5	174.7	0	0	0	105.5
437	K	32.7	Very low	35.2	Very low	185 Å²	185	141.3 Å²	141.3	80%	0.804	82%	0.816	S	S	*	*			cis	68.9	95.6	30.9	-157.7	-171.4	178.8	-166.3	0	113
438	M	36.2	Very low	35.4	Very low	188 Å²	188	143.4 Å²	143.4	93%	0.926	82%	0.82	S	S	*	*			trans	-97.7	157.9	164.5	-75	-173.4	173.1	0	0	111.2
439	E	27.6	Very low	35.2	Very low	171 Å²	171	140.8 Å²	140.8	80%	0.799	82%	0.82	S	S	*	*			trans	-133.7	155.8	164.2	-127.1	-154.3	99.6	0	0	107.4
440	P	41.1	Very low	35.3	Very low	110 Å²	110	143.2 Å²	143.2	71%	0.714	82%	0.823	S	S	*	*			trans	-86.8	140.3	-173.8	34.1	-31.5	0	0	0	112.4
441	S	31.4	Very low	35.3	Very low	125 Å²	125	144 Å²	144	87%	0.874	83%	0.828	S	S	*	*			trans	-92.5	149.9	168.5	-168.4	0	0	0	0	111.1
442	S	32.3	Very low	35	Very low	107 Å²	107	144.4 Å²	144.4	75%	0.748	83%	0.828	S	S	*	*			trans	-119.7	122.3	-177.2	-64.6	0	0	0	0	111.7
443	Q	33.7	Very low	35.3	Very low	204 Å²	204	145.2 Å²	145.2	95%	0.953	83%	0.825	S	S	*	*			trans	-163.6	152.6	148	-112.8	164.7	8.6	0	0	111.6
444	S	33.7	Very low	35	Very low	100 Å²	100	149.6 Å²	149.6	70%	0.699	83%	0.829	S	S	*	*			trans	-120.5	166.2	-179.3	66.9	0	0	0	0	109.4
445	P	43.6	Very low	35.1	Very low	130 Å²	130	144.1 Å²	144.1	84%	0.844	82%	0.816	S	S	*	*				-139.8	179.3	78.2	30.3	-9.5	0	0	0	115.4
446	V	34.3	Very low	35.1	Very low	126 Å²	126	139 Å²	139	76%	0.764	81%	0.813	S	S	*	*			trans	-103.3	168.6	-172.7	-139.8	0	0	0	0	110.9
447	P	45.4	Very low	35.5	Very low	110 Å²	110	137.1 Å²	137.1	71%	0.714	81%	0.814	S	S	*	*				-150.4	157.2	81.6	39	-19.7	0	0	0	119
448	S	30.9	Very low	35.6	Very low	116 Å²	116	131 Å²	131	81%	0.811	80%	0.803	S	S	*	*			trans	60.6	117.5	148.6	56.2	0	0	0	0	121.6
449	G	28.5	Very low	36	Very low	79 Å²	79	132.2 Å²	132.2	81%	0.814	80%	0.803	S	S	*	*			trans	-166.1	14.5	177	0	0	0	0	0	120.2
450	K	32.9	Very low	36.3	Very low	205 Å²	205	129.2 Å²	129.2	89%	0.891	80%	0.801	S	S	*	*			trans	41.9	101.4	162	-171.4	-177.2	-178.9	178.6	0	119.7
451	S	31	Very low	36.2	Very low	124 Å²	124	130.1 Å²	130.1	87%	0.867	81%	0.805	S	S	*	*			trans	-171.5	148.9	136.7	-84	0	0	0	0	112.8
452	T	41.3	Very low	36.5	Very low	137 Å²	137	128.6 Å²	128.6	84%	0.84	79%	0.792	S	S	*	*			trans	-95.7	152.7	-177.1	-17.1	0	0	0	0	112.3
453	P	34.3	Very low	36.5	Very low	124 Å²	124	127.6 Å²	127.6	81%	0.805	79%	0.785	S	S	*	*				-141.5	160.7	124.1	36.9	-24.2	0	0	0	115.1
454	Q	31.8	Very low	36.9	Very low	184 Å²	184	122.9 Å²	122.9	86%	0.86	78%	0.775	S	S	*	*			trans	-91.8	174.4	173	-110.6	-170.5	-69.3	0	0	112
455	P	40.8	Very low	37.3	Very low	101 Å²	101	121 Å²	121	66%	0.656	76%	0.761	S	S	*	*			trans	-88.7	156.4	-152.9	34.7	-38.9	0	0	0	116.2	S457	P455-S457 PolarHBondContact O-N 3.17Å
456	P	38.9	Very low	37.4	Very low	129 Å²	129	120 Å²	120	84%	0.838	75%	0.749	S	S	*	*			trans	-83.3	96.8	168	33.4	-32.5	0	0	0	111.7	G458	P456-G458 VanDerWaalsContact C-N 3.29Å; P456-G458 PolarHBondContact O-N 3.1Å
457	S	42.8	Very low	38.5	Very low	125 Å²	125	115.9 Å²	115.9	87%	0.874	72%	0.724	S	S	*	*			trans	-75.1	76.7	168.9	57.3	0	0	0	0	111.4	P455	P455-S457 PolarHBondContact O-N 3.17Å
458	G	35	Very low	39.4	Very low	55 Å²	55	116.2 Å²	116.2	57%	0.567	72%	0.716	S	S	*	*			trans	-110.2	104.6	-179.4	0	0	0	0	0	113.2	P456 S460	P456-G458 VanDerWaalsContact C-N 3.29Å; P456-G458 PolarHBondContact O-N 3.1Å; G458-S460 PolarHBondContact O-N 3.1Å
459	K	44.8	Very low	41.3	Very low	214 Å²	214	111.7 Å²	111.7	93%	0.93	68%	0.683	S	S	*	*			trans	-78.3	61.9	178.6	-164.4	168.3	-175.9	168.9	0	112.1	T461	K459-T461 PolarHBondContact O-N 2.88Å
460	S	34.5	Very low	43.7	Very low	108 Å²	108	111 Å²	111	76%	0.755	66%	0.663	S	S	*	*			trans	-67.3	109.9	-179.8	-64.1	0	0	0	0	111.7	G458 P462	G458-S460 PolarHBondContact O-N 3.1Å; S460-P462 WeakPolarHBondContact O-CD 3.1Å
461	T	38.1	Very low	46	Very low	129 Å²	129	104.8 Å²	104.8	79%	0.791	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-65	116.7	166.5	50.4	0	0	0	0	109.4	K459 S463	K459-T461 PolarHBondContact O-N 2.88Å; T461-S463 PolarHBondContact O-N 3.05Å
462	P	38.8	Very low	48.4	Very low	93 Å²	93	103.4 Å²	103.4	60%	0.604	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-70.5	132	-177	27	-32.8	0	0	0	111.2	S460	S460-P462 WeakPolarHBondContact O-CD 3.1Å
463	S	31.6	Very low	50.4	Low	87 Å²	87	97.2 Å²	97.2	61%	0.608	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-54.7	142.8	170.6	172.2	0	0	0	0	111.3	T461 S465	T461-S463 PolarHBondContact O-N 3.05Å; S463-S465 WeakPolarHBondContact CB-OG 3.49Å; S463-S465 PolarHBondContact O-N 3.35Å; S463-S465 PolarHBondContact OG-OG 3.13Å
464	S	42.6	Very low	52.7	Low	105 Å²	105	91.3 Å²	91.3	73%	0.734	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	19.2	-179.8	-159.2	0	0	0	0	114.4	R496	S464-R496 PolarHBondContact O-NH2 3.02Å; S464-R496 VanDerWaalsContact O-NH2 3.07Å
465	S	41.7	Very low	55.1	Low	60 Å²	60	86.7 Å²	86.7	42%	0.42	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-40.2	-176.5	48.9	0	0	0	0	113.5	S463 R496	S463-S465 WeakPolarHBondContact CB-OG 3.49Å; S463-S465 PolarHBondContact O-N 3.35Å; S463-S465 PolarHBondContact OG-OG 3.13Å; S465-R496 PolarHBondContact O-NE 3.21Å
466	D	45.1	Very low	57.3	Low	110 Å²	110	87.2 Å²	87.2	59%	0.588	51%	0.505	S	S	*	.			trans	-115.2	89.2	-168.9	-115.5	-80.4	0	0	0	111.7	Q468	D466-Q468 WeakPolarHBondContact OD1-CG 3.47Å; D466-Q468 PolarHBondContact OD1-NE2 2.83Å
467	V	58.1	Low	59.5	Low	39 Å²	39	85.2 Å²	85.2	24%	0.236	48%	0.481	C	S	.	.			trans	-101.9	76	172.9	-174.1	0	0	0	0	108.7	F492 T497	V467-F492 HydrophobicContact CG1-CD1 4.04Å; V467-F492 HydrophobicContact CG1-CE1 3.75Å; V467-T497 WeakPolarHBondContact O-CG2 3.42Å
468	Q	63.3	Low	61.6	Low	117 Å²	117	79.3 Å²	79.3	55%	0.547	44%	0.44	S	S	.	.			trans	-71.9	147.1	169.4	-60.2	178.8	12.3	0	0	109.4	D466 T470	D466-Q468 WeakPolarHBondContact OD1-CG 3.47Å; D466-Q468 PolarHBondContact OD1-NE2 2.83Å; Q468-T470 HydrophobicContact CB-CG2 4.09Å; Q468-T470 PolarHBondContact O-N 3.07Å
469	L	71.3	Confident	64.1	Low	21 Å²	21	79.9 Å²	79.9	11%	0.11	43%	0.429	C	S	.	.			trans	-77.7	71.7	179.4	-177.5	63.6	0	0	0	110.3	V474 F492 T497 L499 T504 V507 I511	L469-V474 HydrophobicContact CD1-CG2 4.46Å; L469-F492 HydrophobicContact CD1-CB 3.85Å; L469-F492 HydrophobicContact CD1-CD1 3.63Å; L469-F492 HydrophobicContact CD1-CD2 3.86Å; L469-F492 HydrophobicContact CD1-CE1 4.1Å; L469-F492 HydrophobicContact CD1-CE2 4.33Å; L469-F492 HydrophobicContact CD1-CG 3.5Å; L469-F492 HydrophobicContact CD1-CZ 4.43Å; L469-T497 HydrophobicContact CB-CG2 4.21Å; L469-L499 HydrophobicContact CB-CD1 4.31Å; L469-L499 HydrophobicContact CD2-CD1 3.74Å; L469-T504 HydrophobicContact CD2-CG2 4.07Å; L469-V507 HydrophobicContact CD2-CB 3.69Å; L469-V507 HydrophobicContact CD2-CG1 3.58Å; L469-V507 HydrophobicContact CG-CG1 3.87Å; L469-I511 HydrophobicContact CD1-CD1 4.46Å; L469-I511 HydrophobicContact CG-CD1 4.3Å
470	T	79.6	Confident	65.9	Low	64 Å²	64	79.8 Å²	79.8	39%	0.393	42%	0.423	S	S	.	.			trans	-102	154.1	178.8	59.7	0	0	0	0	111.6	Q468 E472 A473 V474	Q468-T470 HydrophobicContact CB-CG2 4.09Å; Q468-T470 PolarHBondContact O-N 3.07Å; T470-E472 VanDerWaalsContact C-N 3.26Å; T470-E472 PolarHBondContact O-N 2.94Å; T470-A473 WeakPolarHBondContact O-CB 3.21Å; T470-A473 PolarHBondContact O-N 3.06Å; T470-A473 PolarHBondContact OG1-N 2.98Å; T470-V474 PolarHBondContact O-N 3.33Å
471	E	80.3	Confident	68.3	Low	74 Å²	74	80.7 Å²	80.7	35%	0.346	41%	0.413	S	S	.	.	H	α-helix	trans	-53.9	-44.6	177.7	-173	156.8	161.8	0	0	111.8	A473 V474 R475 I511 R514 L515	E471-A473 VanDerWaalsContact C-N 3.29Å; E471-A473 PolarHBondContact O-N 3.43Å; E471-V474 PolarHBondContact O-N 2.91Å; E471-V474 VanDerWaalsContact O-N 3.13Å; E471-R475 WeakPolarHBondContact O-CB 3.42Å; E471-R475 PolarHBondContact O-N 2.83Å; E471-I511 HydrophobicContact CB-CG1 4.39Å; E471-I511 HydrophobicContact CB-CG2 4.36Å; E471-I511 HydrophobicContact CG-CG2 4.19Å; E471-R514 WeakPolarHBondContact OE1-CB 3.32Å; E471-R514 WeakPolarHBondContact OE2-CD 3.24Å; E471-L515 HydrophobicContact CG-CD1 4.35Å; E471-L515 HydrophobicContact CG-CD2 3.83Å; E471-L515 HydrophobicContact CG-CG 4.01Å
472	E	81.7	Confident	70.5	Confident	95 Å²	95	77.5 Å²	77.5	44%	0.444	40%	0.395	S	S	.	.	H	α-helix	trans	-68.2	-21.9	177.1	-174.3	51	-146.9	0	0	113.8	T470 R476	T470-E472 VanDerWaalsContact C-N 3.26Å; T470-E472 PolarHBondContact O-N 2.94Å; E472-R476 WeakPolarHBondContact O-CG 3.34Å; E472-R476 PolarHBondContact O-N 3.28Å; E472-R476 PolarHBondContact O-NE 2.8Å; E472-R476 PolarHBondContact O-NH2 3.36Å; E472-R476 WeakPolarHBondContact OE1-CD 3.22Å; E472-R476 VanDerWaalsContact OE1-CG 3.27Å; E472-R476 WeakPolarHBondContact OE1-CG 3.39Å; E472-R476 IonicContact OE1-NE 2.7Å
473	A	83.8	Confident	72.7	Confident	8 Å²	8	74.3 Å²	74.3	7%	0.066	37%	0.372	C	S	.	.	H	α-helix	trans	-73	-41.3	169.9	0	0	0	0	0	111.5	T470 E471 Y477 F492	T470-A473 WeakPolarHBondContact O-CB 3.21Å; T470-A473 PolarHBondContact O-N 3.06Å; T470-A473 PolarHBondContact OG1-N 2.98Å; E471-A473 VanDerWaalsContact C-N 3.29Å; E471-A473 PolarHBondContact O-N 3.43Å; A473-Y477 WeakPolarHBondContact O-CD2 3.31Å; A473-Y477 PolarHBondContact O-N 2.97Å; A473-F492 HydrophobicContact CB-CE1 3.93Å; A473-F492 HydrophobicContact CB-CZ 3.87Å
474	V	82.3	Confident	75.4	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-69.9	-43.4	176.8	-177.4	0	0	0	0	110.8	L469 T470 E471 R476 Y477 L478 L488 F492 L508 I511 L512 L515	L469-V474 HydrophobicContact CD1-CG2 4.46Å; T470-V474 PolarHBondContact O-N 3.33Å; E471-V474 PolarHBondContact O-N 2.91Å; E471-V474 VanDerWaalsContact O-N 3.13Å; V474-R476 PolarHBondContact O-N 2.96Å; V474-Y477 PolarHBondContact O-N 3.47Å; V474-Y477 VanDerWaalsContact O-N 3.12Å; V474-L478 HydrophobicContact CG1-CD1 3.84Å; V474-L478 HydrophobicContact CG1-CG 4.34Å; V474-L478 WeakPolarHBondContact O-CG 3.13Å; V474-L478 PolarHBondContact O-N 2.92Å; V474-L478 VanDerWaalsContact O-N 3.07Å; V474-L488 HydrophobicContact CG1-CD1 4.33Å; V474-L488 HydrophobicContact CG1-CD2 4.43Å; V474-F492 HydrophobicContact CG2-CE2 3.77Å; V474-F492 HydrophobicContact CG2-CZ 3.95Å; V474-L508 HydrophobicContact CG1-CD1 4.17Å; V474-L508 HydrophobicContact CG2-CD1 3.85Å; V474-I511 HydrophobicContact CB-CG2 3.64Å; V474-I511 HydrophobicContact CG1-CG2 3.91Å; V474-I511 HydrophobicContact CG2-CD1 4.23Å; V474-I511 HydrophobicContact CG2-CG2 3.73Å; V474-L512 HydrophobicContact CG1-CD2 4.37Å; V474-L515 HydrophobicContact CB-CD1 4.23Å; V474-L515 HydrophobicContact CG1-CD1 4.13Å
475	R	83.3	Confident	77.4	Confident	86 Å²	86	69 Å²	69	33%	0.325	33%	0.332	S	S	.	.	H	α-helix	trans	-53.6	-51.3	177.2	-166.5	-178.1	-178.6	-178.6	-1.5	111.7	E471 Y477 L478 I479 L515 L530 E532	E471-R475 WeakPolarHBondContact O-CB 3.42Å; E471-R475 PolarHBondContact O-N 2.83Å; R475-Y477 VanDerWaalsContact C-N 3.28Å; R475-Y477 PolarHBondContact O-N 2.85Å; R475-L478 PolarHBondContact O-N 3.24Å; R475-L478 VanDerWaalsContact O-N 3.12Å; R475-I479 HydrophobicContact CG-CD1 3.84Å; R475-I479 HydrophobicContact CG-CG1 4.43Å; R475-I479 WeakPolarHBondContact O-CG1 3.45Å; R475-I479 PolarHBondContact O-N 3.35Å; R475-L515 HydrophobicContact CB-CD1 4.08Å; R475-L515 HydrophobicContact CB-CD2 4.15Å; R475-L515 HydrophobicContact CG-CD2 4.17Å; R475-L530 HydrophobicContact CG-CD2 3.6Å; R475-E532 PolarHBondContact NH2-OXT 2.83Å; R475-E532 VanDerWaalsContact NH2-OXT 3.11Å
476	R	85.8	Confident	79.4	Confident	113 Å²	113	74.5 Å²	74.5	43%	0.426	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-27.6	178.9	-74.1	176.9	-67.1	142.4	-1.6	114.3	E472 V474 R480	E472-R476 WeakPolarHBondContact O-CG 3.34Å; E472-R476 PolarHBondContact O-N 3.28Å; E472-R476 PolarHBondContact O-NE 2.8Å; E472-R476 PolarHBondContact O-NH2 3.36Å; E472-R476 WeakPolarHBondContact OE1-CD 3.22Å; E472-R476 VanDerWaalsContact OE1-CG 3.27Å; E472-R476 WeakPolarHBondContact OE1-CG 3.39Å; E472-R476 IonicContact OE1-NE 2.7Å; V474-R476 PolarHBondContact O-N 2.96Å; R476-R480 WeakPolarHBondContact O-CB 3.42Å; R476-R480 PolarHBondContact O-N 3.22Å
477	Y	85.7	Confident	81.3	Confident	86 Å²	86	72 Å²	72	34%	0.337	34%	0.335	S	S	.	.	H	α-helix	trans	-73.9	-42.9	171.6	-76.4	-59.9	0	0	0	111.9	A473 V474 R475 R480 K481 F492	A473-Y477 WeakPolarHBondContact O-CD2 3.31Å; A473-Y477 PolarHBondContact O-N 2.97Å; V474-Y477 PolarHBondContact O-N 3.47Å; V474-Y477 VanDerWaalsContact O-N 3.12Å; R475-Y477 VanDerWaalsContact C-N 3.28Å; R475-Y477 PolarHBondContact O-N 2.85Å; Y477-R480 PolarHBondContact O-N 3.31Å; Y477-K481 PolarHBondContact O-N 3.34Å; Y477-K481 VanDerWaalsContact O-N 3.07Å; Y477-K481 VanDerWaalsContact O-O 3.04Å; Y477-F492 HydrophobicContact CD2-CE2 4.14Å; Y477-F492 AromaticContact CD2-CZ 3.91Å; Y477-F492 HydrophobicContact CD2-CZ 3.91Å; Y477-F492 HydrophobicContact CE2-CE2 4.32Å; Y477-F492 AromaticContact CE2-CZ 3.84Å; Y477-F492 HydrophobicContact CE2-CZ 3.84Å
478	L	87.4	Confident	82.6	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-69.1	-33.6	-177.9	-70.5	171.9	0	0	0	114	V474 R475 L488 L512 L515 P517 F528 L530	V474-L478 HydrophobicContact CG1-CD1 3.84Å; V474-L478 HydrophobicContact CG1-CG 4.34Å; V474-L478 WeakPolarHBondContact O-CG 3.13Å; V474-L478 PolarHBondContact O-N 2.92Å; V474-L478 VanDerWaalsContact O-N 3.07Å; R475-L478 PolarHBondContact O-N 3.24Å; R475-L478 VanDerWaalsContact O-N 3.12Å; L478-L488 HydrophobicContact CD2-CD1 4.18Å; L478-L512 HydrophobicContact CD1-CD2 3.96Å; L478-L515 HydrophobicContact CD1-CD1 4.26Å; L478-P517 HydrophobicContact CD1-CB 4.04Å; L478-P517 HydrophobicContact CD1-CG 4.03Å; L478-F528 HydrophobicContact CD2-CB 3.62Å; L478-F528 VanDerWaalsContact CD2-O 3.27Å; L478-F528 WeakPolarHBondContact CD2-O 3.36Å; L478-L530 HydrophobicContact CB-CB 4.05Å; L478-L530 PolarHBondContact O-N 2.6Å
479	I	85.9	Confident	83.7	Confident	67 Å²	67	66.2 Å²	66.2	34%	0.344	31%	0.306	S	S	.	.	H	α-helix	trans	-69.9	-41.2	172.4	-63.4	170.3	0	0	0	110.5	R475 L530	R475-I479 HydrophobicContact CG-CD1 3.84Å; R475-I479 HydrophobicContact CG-CG1 4.43Å; R475-I479 WeakPolarHBondContact O-CG1 3.45Å; R475-I479 PolarHBondContact O-N 3.35Å; I479-L530 WeakPolarHBondContact CA-O 3.29Å; I479-L530 HydrophobicContact CD1-CD2 4.44Å; I479-L530 HydrophobicContact CG1-CB 4.08Å; I479-L530 HydrophobicContact CG1-CD2 4.19Å; I479-L530 HydrophobicContact CG1-CG 4.49Å; I479-L530 WeakPolarHBondContact CG1-O 3.32Å
480	R	83.9	Confident	84.3	Confident	212 Å²	212	72.8 Å²	72.8	80%	0.8	33%	0.334	S	S	*	.	H	α-helix	trans	-80.7	-23.2	-172.2	-148.8	-166.9	85.1	81.4	-4.1	114.6	R476 Y477	R476-R480 WeakPolarHBondContact O-CB 3.42Å; R476-R480 PolarHBondContact O-N 3.22Å; Y477-R480 PolarHBondContact O-N 3.31Å
481	K	83.6	Confident	84.4	Confident	127 Å²	127	74.9 Å²	74.9	55%	0.552	34%	0.338	S	S	*	.	S	Bend	trans	-161.6	140.5	173.8	-167.9	176.6	174.9	168.5	0	110.6	Y477 M483	Y477-K481 PolarHBondContact O-N 3.34Å; Y477-K481 VanDerWaalsContact O-N 3.07Å; Y477-K481 VanDerWaalsContact O-O 3.04Å; K481-M483 HydrophobicContact CD-CE 4.1Å; K481-M483 HydrophobicContact CG-CE 4.43Å; K481-M483 WeakPolarHBondContact O-CG 3.42Å; K481-M483 PolarHBondContact O-N 2.74Å
482	P	84.8	Confident	84.4	Confident	63 Å²	63	71.4 Å²	71.4	41%	0.409	32%	0.321	S	S	.	.			trans	-56.1	127.4	164.6	22.7	-33.7	0	0	0	111	H527 F528	P482-H527 HydrophobicContact CB-CB 4.13Å; P482-F528 WeakPolarHBondContact CA-O 3.32Å
483	M	85.6	Confident	83.8	Confident	26 Å²	26	71.6 Å²	71.6	13%	0.128	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-128.4	144.2	-176.8	-67.5	-88	76.3	0	0	111	K481 D487 L488 F528	K481-M483 HydrophobicContact CD-CE 4.1Å; K481-M483 HydrophobicContact CG-CE 4.43Å; K481-M483 WeakPolarHBondContact O-CG 3.42Å; K481-M483 PolarHBondContact O-N 2.74Å; M483-D487 HydrophobicContact CB-CB 4.39Å; M483-D487 HydrophobicContact CE-CB 4.03Å; M483-D487 HydrophobicContact SD-CB 3.86Å; M483-L488 HydrophobicContact CB-CD2 4.05Å; M483-L488 HydrophobicContact CB-CG 4.03Å; M483-L488 HydrophobicContact CG-CD2 4.31Å; M483-F528 PolarHBondContact N-O 3.46Å; M483-F528 PolarHBondContact O-N 3.4Å
484	T	88.8	Confident	82.8	Confident	16 Å²	16	74.5 Å²	74.5	10%	0.098	34%	0.339	C	S	.	.			trans	-81.7	161.7	168.6	75.2	0	0	0	0	110.6	K486 D487 L488 K525	T484-K486 PolarHBondContact O-N 2.8Å; T484-K486 VanDerWaalsContact O-N 3.17Å; T484-K486 PolarHBondContact OG1-N 3.31Å; T484-D487 WeakPolarHBondContact CB-OD2 3.46Å; T484-D487 WeakPolarHBondContact CG2-OD2 3.34Å; T484-D487 PolarHBondContact N-OD2 3.16Å; T484-D487 VanDerWaalsContact N-OD2 3.1Å; T484-D487 PolarHBondContact O-N 3.19Å; T484-D487 PolarHBondContact OG1-N 3.29Å; T484-D487 PolarHBondContact OG1-OD2 3.11Å; T484-L488 PolarHBondContact O-N 3.08Å; T484-L488 VanDerWaalsContact O-N 3.1Å; T484-K525 HydrophobicContact CG2-CB 4.2Å
485	T	82.8	Confident	81.6	Confident	65 Å²	65	84.8 Å²	84.8	40%	0.399	38%	0.384	S	S	.	.	H	α-helix	trans	-56.1	-32.2	172.2	-37.1	0	0	0	0	112.1	L489 L512 F528	T485-L489 WeakPolarHBondContact O-CB 3.22Å; T485-L489 PolarHBondContact O-N 3.3Å; T485-L512 HydrophobicContact CG2-CD1 4.29Å; T485-F528 VanDerWaalsContact OG1-CE2 3.22Å; T485-F528 WeakPolarHBondContact OG1-CE2 3.5Å
486	K	84.6	Confident	80.5	Confident	174 Å²	174	87.9 Å²	87.9	76%	0.757	40%	0.396	S	S	*	.	H	α-helix	trans	-68.5	-38.1	177.6	-65	-177.6	178.8	179.2	0	111.6	T484 K490	T484-K486 PolarHBondContact O-N 2.8Å; T484-K486 VanDerWaalsContact O-N 3.17Å; T484-K486 PolarHBondContact OG1-N 3.31Å; K486-K490 VanDerWaalsContact O-CB 3.27Å; K486-K490 WeakPolarHBondContact O-CB 3.44Å; K486-K490 PolarHBondContact O-N 3.06Å
487	D	85.5	Confident	79.4	Confident	58 Å²	58	83.6 Å²	83.6	31%	0.31	38%	0.382	S	S	.	.	H	α-helix	trans	-69.2	-47.4	177.6	-60.1	-59.3	0	0	0	111.6	M483 T484 L489 K490 K491	M483-D487 HydrophobicContact CB-CB 4.39Å; M483-D487 HydrophobicContact CE-CB 4.03Å; M483-D487 HydrophobicContact SD-CB 3.86Å; T484-D487 WeakPolarHBondContact CB-OD2 3.46Å; T484-D487 WeakPolarHBondContact CG2-OD2 3.34Å; T484-D487 PolarHBondContact N-OD2 3.16Å; T484-D487 VanDerWaalsContact N-OD2 3.1Å; T484-D487 PolarHBondContact O-N 3.19Å; T484-D487 PolarHBondContact OG1-N 3.29Å; T484-D487 PolarHBondContact OG1-OD2 3.11Å; D487-L489 VanDerWaalsContact C-N 3.35Å; D487-L489 PolarHBondContact O-N 2.9Å; D487-K490 PolarHBondContact O-N 3.37Å; D487-K491 WeakPolarHBondContact O-CG 3.49Å; D487-K491 PolarHBondContact O-N 2.83Å
488	L	85.6	Confident	78.3	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-56.8	-50.3	174.5	-67.3	174.5	0	0	0	110.5	V474 L478 M483 T484 K490 K491 F492 L508 L512	V474-L488 HydrophobicContact CG1-CD1 4.33Å; V474-L488 HydrophobicContact CG1-CD2 4.43Å; L478-L488 HydrophobicContact CD2-CD1 4.18Å; M483-L488 HydrophobicContact CB-CD2 4.05Å; M483-L488 HydrophobicContact CB-CG 4.03Å; M483-L488 HydrophobicContact CG-CD2 4.31Å; T484-L488 PolarHBondContact O-N 3.08Å; T484-L488 VanDerWaalsContact O-N 3.1Å; L488-K490 VanDerWaalsContact C-N 3.31Å; L488-K490 PolarHBondContact O-N 3.42Å; L488-K491 WeakPolarHBondContact O-CB 3.35Å; L488-K491 PolarHBondContact O-N 3.21Å; L488-F492 VanDerWaalsContact O-CD2 3.22Å; L488-F492 WeakPolarHBondContact O-CD2 3.48Å; L488-F492 PolarHBondContact O-N 3.36Å; L488-F492 VanDerWaalsContact O-N 3.13Å; L488-L508 HydrophobicContact CB-CD1 4.22Å; L488-L508 HydrophobicContact CB-CD2 3.93Å; L488-L508 HydrophobicContact CD1-CD1 4.36Å; L488-L512 HydrophobicContact CD1-CD1 4.33Å; L488-L512 HydrophobicContact CD1-CD2 3.96Å
489	L	85	Confident	77.6	Confident	34 Å²	34	86.5 Å²	86.5	18%	0.178	42%	0.421	C	S	.	.	H	α-helix	trans	-59.1	-41.8	178	-173.3	61.7	0	0	0	111.4	T485 D487 K491 F492 Q493 T504 V505 L508	T485-L489 WeakPolarHBondContact O-CB 3.22Å; T485-L489 PolarHBondContact O-N 3.3Å; D487-L489 VanDerWaalsContact C-N 3.35Å; D487-L489 PolarHBondContact O-N 2.9Å; L489-K491 VanDerWaalsContact C-N 3.3Å; L489-K491 PolarHBondContact O-N 2.89Å; L489-F492 PolarHBondContact O-N 3.48Å; L489-Q493 HydrophobicContact CD1-CG 3.92Å; L489-Q493 HydrophobicContact CG-CG 3.93Å; L489-Q493 WeakPolarHBondContact O-CB 3.48Å; L489-Q493 VanDerWaalsContact O-CG 3.27Å; L489-Q493 WeakPolarHBondContact O-CG 3.47Å; L489-Q493 PolarHBondContact O-N 2.87Å; L489-T504 HydrophobicContact CD1-CG2 3.91Å; L489-V505 HydrophobicContact CD1-CG2 3.71Å; L489-V505 HydrophobicContact CD2-CG2 3.89Å; L489-V505 HydrophobicContact CG-CG2 4.48Å; L489-L508 HydrophobicContact CB-CD2 4.16Å; L489-L508 HydrophobicContact CD1-CD2 4.42Å
490	K	84.6	Confident	77.1	Confident	159 Å²	159	86 Å²	86	69%	0.691	42%	0.424	S	S	*	.	H	α-helix	trans	-63.5	-29.1	175.4	-174	174.2	-179.1	177.6	0	113.5	K486 D487 L488	K486-K490 VanDerWaalsContact O-CB 3.27Å; K486-K490 WeakPolarHBondContact O-CB 3.44Å; K486-K490 PolarHBondContact O-N 3.06Å; D487-K490 PolarHBondContact O-N 3.37Å; L488-K490 VanDerWaalsContact C-N 3.31Å; L488-K490 PolarHBondContact O-N 3.42Å
491	K	82.6	Confident	76.6	Confident	109 Å²	109	79 Å²	79	47%	0.474	41%	0.407	S	S	.	.	H	α-helix	trans	-71.9	-42.6	172.6	-63.1	-60.5	179.6	179.8	0	112	D487 L488 L489	D487-K491 WeakPolarHBondContact O-CG 3.49Å; D487-K491 PolarHBondContact O-N 2.83Å; L488-K491 WeakPolarHBondContact O-CB 3.35Å; L488-K491 PolarHBondContact O-N 3.21Å; L489-K491 VanDerWaalsContact C-N 3.3Å; L489-K491 PolarHBondContact O-N 2.89Å
492	F	79.1	Confident	76.4	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-92.7	-12.3	-173.8	-64.9	-72.5	0	0	0	115.2	V467 L469 A473 V474 Y477 L488 L489 T494 T497 T504	V467-F492 HydrophobicContact CG1-CD1 4.04Å; V467-F492 HydrophobicContact CG1-CE1 3.75Å; L469-F492 HydrophobicContact CD1-CB 3.85Å; L469-F492 HydrophobicContact CD1-CD1 3.63Å; L469-F492 HydrophobicContact CD1-CD2 3.86Å; L469-F492 HydrophobicContact CD1-CE1 4.1Å; L469-F492 HydrophobicContact CD1-CE2 4.33Å; L469-F492 HydrophobicContact CD1-CG 3.5Å; L469-F492 HydrophobicContact CD1-CZ 4.43Å; A473-F492 HydrophobicContact CB-CE1 3.93Å; A473-F492 HydrophobicContact CB-CZ 3.87Å; V474-F492 HydrophobicContact CG2-CE2 3.77Å; V474-F492 HydrophobicContact CG2-CZ 3.95Å; Y477-F492 HydrophobicContact CD2-CE2 4.14Å; Y477-F492 AromaticContact CD2-CZ 3.91Å; Y477-F492 HydrophobicContact CD2-CZ 3.91Å; Y477-F492 HydrophobicContact CE2-CE2 4.32Å; Y477-F492 AromaticContact CE2-CZ 3.84Å; Y477-F492 HydrophobicContact CE2-CZ 3.84Å; L488-F492 VanDerWaalsContact O-CD2 3.22Å; L488-F492 WeakPolarHBondContact O-CD2 3.48Å; L488-F492 PolarHBondContact O-N 3.36Å; L488-F492 VanDerWaalsContact O-N 3.13Å; L489-F492 PolarHBondContact O-N 3.48Å; F492-T494 PolarHBondContact O-N 3.22Å; F492-T497 HydrophobicContact CB-CG2 4.26Å; F492-T497 HydrophobicContact CD1-CG2 4.22Å; F492-T497 WeakPolarHBondContact O-CG2 3.18Å; F492-T497 PolarHBondContact O-OG1 3.26Å; F492-T504 HydrophobicContact CB-CG2 4.05Å
493	Q	69.8	Low	76.1	Confident	100 Å²	100	81.7 Å²	81.7	47%	0.467	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-8.3	171.3	-89.4	-179.9	-19.6	0	0	114.5	L489	L489-Q493 HydrophobicContact CD1-CG 3.92Å; L489-Q493 HydrophobicContact CG-CG 3.93Å; L489-Q493 WeakPolarHBondContact O-CB 3.48Å; L489-Q493 VanDerWaalsContact O-CG 3.27Å; L489-Q493 WeakPolarHBondContact O-CG 3.47Å; L489-Q493 PolarHBondContact O-N 2.87Å
494	T	62.3	Low	75.9	Confident	68 Å²	68	80.6 Å²	80.6	42%	0.417	41%	0.411	S	S	.	.	S	Bend	trans	-63.8	145.6	174.3	65.9	0	0	0	0	110.1	F492 R496 T497	F492-T494 PolarHBondContact O-N 3.22Å; T494-R496 PolarHBondContact O-N 3.43Å; T494-T497 PolarHBondContact O-N 3.45Å; T494-T497 PolarHBondContact O-OG1 3.33Å
495	K	57	Low	75.7	Confident	217 Å²	217	82.9 Å²	82.9	94%	0.943	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	4.1	-175.8	-61.5	-175.5	179.2	-178.7	0	115.4
496	R	59.6	Low	75.9	Confident	151 Å²	151	84.6 Å²	84.6	57%	0.57	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-26.3	175.6	-87.2	-179.7	152.9	142.4	-1.7	114.3	S464 S465 T494	S464-R496 PolarHBondContact O-NH2 3.02Å; S464-R496 VanDerWaalsContact O-NH2 3.07Å; S465-R496 PolarHBondContact O-NE 3.21Å; T494-R496 PolarHBondContact O-N 3.43Å
497	T	63.1	Low	75.8	Confident	23 Å²	23	78.6 Å²	78.6	14%	0.141	41%	0.409	C	S	.	.	S	Bend	trans	-78.6	-16.8	-175.5	47.7	0	0	0	0	114	V467 L469 F492 T494 L499	V467-T497 WeakPolarHBondContact O-CG2 3.42Å; L469-T497 HydrophobicContact CB-CG2 4.21Å; F492-T497 HydrophobicContact CB-CG2 4.26Å; F492-T497 HydrophobicContact CD1-CG2 4.22Å; F492-T497 WeakPolarHBondContact O-CG2 3.18Å; F492-T497 PolarHBondContact O-OG1 3.26Å; T494-T497 PolarHBondContact O-N 3.45Å; T494-T497 PolarHBondContact O-OG1 3.33Å; T497-L499 PolarHBondContact O-N 3.24Å; T497-L499 VanDerWaalsContact O-N 3.16Å
498	G	62.9	Low	75.8	Confident	76 Å²	76	76 Å²	76	78%	0.784	40%	0.395	S	S	*	.			trans	70.2	2.5	178.1	0	0	0	0	0	115.7
499	L	71.9	Confident	75.8	Confident	71 Å²	71	78.6 Å²	78.6	37%	0.372	42%	0.417	S	S	.	.	S	Bend	trans	-99.6	156	-177.4	-65.9	173.5	0	0	0	111.8	L469 T497 Q503	L469-L499 HydrophobicContact CB-CD1 4.31Å; L469-L499 HydrophobicContact CD2-CD1 3.74Å; T497-L499 PolarHBondContact O-N 3.24Å; T497-L499 VanDerWaalsContact O-N 3.16Å; L499-Q503 HydrophobicContact CB-CB 4.14Å; L499-Q503 HydrophobicContact CD2-CB 4.38Å
500	S	76.3	Confident	75.9	Confident	58 Å²	58	82.4 Å²	82.4	41%	0.406	43%	0.433	S	S	.	.			trans	-62.8	157	164.4	-178.9	0	0	0	0	110.9	E502 Q503 T504	S500-E502 VanDerWaalsContact C-N 3.29Å; S500-E502 PolarHBondContact O-N 3.48Å; S500-Q503 PolarHBondContact O-N 3.39Å; S500-T504 WeakPolarHBondContact O-CB 3.27Å; S500-T504 PolarHBondContact O-N 3.08Å; S500-T504 PolarHBondContact O-OG1 3.41Å
501	S	73.2	Confident	76	Confident	64 Å²	64	75.1 Å²	75.1	45%	0.448	40%	0.402	S	S	.	.	H	α-helix	trans	-55.6	-45	175.2	-169.6	0	0	0	0	111.4	T504 V505	S501-T504 WeakPolarHBondContact O-CB 3.48Å; S501-T504 PolarHBondContact O-N 2.78Å; S501-V505 WeakPolarHBondContact O-CG2 3.38Å; S501-V505 PolarHBondContact O-N 3.49Å
502	E	79.8	Confident	76.1	Confident	146 Å²	146	71 Å²	71	68%	0.682	39%	0.385	S	S	*	.	H	α-helix	trans	-64.6	-41.4	178	-63.7	166.1	-179	0	0	112.3	S500 T504 V505 N506	S500-E502 VanDerWaalsContact C-N 3.29Å; S500-E502 PolarHBondContact O-N 3.48Å; E502-T504 VanDerWaalsContact C-N 3.33Å; E502-V505 PolarHBondContact O-N 3.49Å; E502-N506 WeakPolarHBondContact O-CB 3.19Å; E502-N506 PolarHBondContact O-N 3.34Å; E502-N506 PolarHBondContact O-ND2 2.85Å
503	Q	78.6	Confident	76.4	Confident	101 Å²	101	79.6 Å²	79.6	47%	0.472	42%	0.423	S	S	.	.	H	α-helix	trans	-65.4	-39	175.5	-69.6	172.9	-38.9	0	0	111.1	L499 S500 N506 V507	L499-Q503 HydrophobicContact CB-CB 4.14Å; L499-Q503 HydrophobicContact CD2-CB 4.38Å; S500-Q503 PolarHBondContact O-N 3.39Å; Q503-N506 PolarHBondContact O-N 2.66Å; Q503-V507 WeakPolarHBondContact O-CB 3.27Å; Q503-V507 WeakPolarHBondContact O-CG2 3.22Å; Q503-V507 PolarHBondContact O-N 2.89Å
504	T	81.5	Confident	77.1	Confident	2 Å²	2	82.7 Å²	82.7	1%	0.012	43%	0.43	C	S	.	.	H	α-helix	trans	-61.6	-44.5	175	-55.1	0	0	0	0	110.9	L469 L489 F492 S500 S501 E502 L508	L469-T504 HydrophobicContact CD2-CG2 4.07Å; L489-T504 HydrophobicContact CD1-CG2 3.91Å; F492-T504 HydrophobicContact CB-CG2 4.05Å; S500-T504 WeakPolarHBondContact O-CB 3.27Å; S500-T504 PolarHBondContact O-N 3.08Å; S500-T504 PolarHBondContact O-OG1 3.41Å; S501-T504 WeakPolarHBondContact O-CB 3.48Å; S501-T504 PolarHBondContact O-N 2.78Å; E502-T504 VanDerWaalsContact C-N 3.33Å; T504-L508 WeakPolarHBondContact O-CB 3.33Å; T504-L508 PolarHBondContact O-N 3.48Å
505	V	84.4	Confident	78.1	Confident	64 Å²	64	80.8 Å²	80.8	39%	0.388	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-48	174.7	172.5	0	0	0	0	111.4	L489 S501 E502 L508 A509	L489-V505 HydrophobicContact CD1-CG2 3.71Å; L489-V505 HydrophobicContact CD2-CG2 3.89Å; L489-V505 HydrophobicContact CG-CG2 4.48Å; S501-V505 WeakPolarHBondContact O-CG2 3.38Å; S501-V505 PolarHBondContact O-N 3.49Å; E502-V505 PolarHBondContact O-N 3.49Å; V505-L508 PolarHBondContact O-N 3.04Å; V505-A509 WeakPolarHBondContact O-CB 3.47Å; V505-A509 PolarHBondContact O-N 3.05Å
506	N	85.8	Confident	79.3	Confident	101 Å²	101	76 Å²	76	54%	0.54	40%	0.402	S	S	.	.	H	α-helix	trans	-64.3	-43.9	-178.4	-73.7	-22.7	0	0	0	112.7	E502 Q503 A509 Q510	E502-N506 WeakPolarHBondContact O-CB 3.19Å; E502-N506 PolarHBondContact O-N 3.34Å; E502-N506 PolarHBondContact O-ND2 2.85Å; Q503-N506 PolarHBondContact O-N 2.66Å; N506-A509 PolarHBondContact O-N 3.01Å; N506-Q510 WeakPolarHBondContact O-CG 3.34Å; N506-Q510 PolarHBondContact O-N 2.99Å
507	V	83.8	Confident	80.5	Confident	48 Å²	48	69.1 Å²	69.1	29%	0.291	38%	0.376	S	S	.	.	H	α-helix	trans	-69.5	-40.4	177.4	173.9	0	0	0	0	111	L469 Q503 A509 Q510 I511	L469-V507 HydrophobicContact CD2-CB 3.69Å; L469-V507 HydrophobicContact CD2-CG1 3.58Å; L469-V507 HydrophobicContact CG-CG1 3.87Å; Q503-V507 WeakPolarHBondContact O-CB 3.27Å; Q503-V507 WeakPolarHBondContact O-CG2 3.22Å; Q503-V507 PolarHBondContact O-N 2.89Å; V507-A509 VanDerWaalsContact C-N 3.33Å; V507-A509 PolarHBondContact O-N 3.38Å; V507-Q510 PolarHBondContact O-N 2.87Å; V507-I511 HydrophobicContact CG1-CD1 3.82Å; V507-I511 HydrophobicContact CG1-CG1 4.43Å; V507-I511 WeakPolarHBondContact O-CG1 3.44Å; V507-I511 PolarHBondContact O-N 3.45Å
508	L	85.7	Confident	81.3	Confident	4 Å²	4	72.8 Å²	72.8	2%	0.021	39%	0.392	C	S	.	.	H	α-helix	trans	-61.9	-40	174.4	-178.5	61.7	0	0	0	111.8	V474 L488 L489 T504 V505 I511 L512	V474-L508 HydrophobicContact CG1-CD1 4.17Å; V474-L508 HydrophobicContact CG2-CD1 3.85Å; L488-L508 HydrophobicContact CB-CD1 4.22Å; L488-L508 HydrophobicContact CB-CD2 3.93Å; L488-L508 HydrophobicContact CD1-CD1 4.36Å; L489-L508 HydrophobicContact CB-CD2 4.16Å; L489-L508 HydrophobicContact CD1-CD2 4.42Å; T504-L508 WeakPolarHBondContact O-CB 3.33Å; T504-L508 PolarHBondContact O-N 3.48Å; V505-L508 PolarHBondContact O-N 3.04Å; L508-I511 PolarHBondContact O-N 3.49Å; L508-L512 HydrophobicContact CD1-CD1 4.36Å; L508-L512 HydrophobicContact CD1-CG 4.4Å; L508-L512 HydrophobicContact CG-CD1 4.12Å; L508-L512 WeakPolarHBondContact O-CB 3.24Å; L508-L512 VanDerWaalsContact O-CG 3.31Å; L508-L512 WeakPolarHBondContact O-CG 3.48Å; L508-L512 PolarHBondContact O-N 3.44Å
509	A	85.4	Confident	82.3	Confident	55 Å²	55	77 Å²	77	46%	0.455	38%	0.384	S	S	.	.	H	α-helix	trans	-65.8	-38.7	175.1	0	0	0	0	0	112.5	V505 N506 V507 K513	V505-A509 WeakPolarHBondContact O-CB 3.47Å; V505-A509 PolarHBondContact O-N 3.05Å; N506-A509 PolarHBondContact O-N 3.01Å; V507-A509 VanDerWaalsContact C-N 3.33Å; V507-A509 PolarHBondContact O-N 3.38Å; A509-K513 WeakPolarHBondContact O-CB 3.3Å; A509-K513 PolarHBondContact O-N 2.97Å
510	Q	86.3	Confident	82.8	Confident	113 Å²	113	79.6 Å²	79.6	53%	0.528	39%	0.393	S	S	.	.	H	α-helix	trans	-65.2	-41.5	173	-73.4	-179.9	8.2	0	0	112.3	N506 V507 K513 R514	N506-Q510 WeakPolarHBondContact O-CG 3.34Å; N506-Q510 PolarHBondContact O-N 2.99Å; V507-Q510 PolarHBondContact O-N 2.87Å; Q510-K513 PolarHBondContact O-N 3.08Å; Q510-R514 PolarHBondContact O-N 2.78Å
511	I	86.8	Confident	83	Confident	6 Å²	6	83.9 Å²	83.9	3%	0.031	41%	0.408	C	S	.	.	H	α-helix	trans	-64.5	-46.6	176.5	-71.7	166.6	0	0	0	110.8	L469 E471 V474 V507 L508 K513 R514 L515	L469-I511 HydrophobicContact CD1-CD1 4.46Å; L469-I511 HydrophobicContact CG-CD1 4.3Å; E471-I511 HydrophobicContact CB-CG1 4.39Å; E471-I511 HydrophobicContact CB-CG2 4.36Å; E471-I511 HydrophobicContact CG-CG2 4.19Å; V474-I511 HydrophobicContact CB-CG2 3.64Å; V474-I511 HydrophobicContact CG1-CG2 3.91Å; V474-I511 HydrophobicContact CG2-CD1 4.23Å; V474-I511 HydrophobicContact CG2-CG2 3.73Å; V507-I511 HydrophobicContact CG1-CD1 3.82Å; V507-I511 HydrophobicContact CG1-CG1 4.43Å; V507-I511 WeakPolarHBondContact O-CG1 3.44Å; V507-I511 PolarHBondContact O-N 3.45Å; L508-I511 PolarHBondContact O-N 3.49Å; I511-K513 PolarHBondContact O-N 2.98Å; I511-R514 PolarHBondContact O-N 3.16Å; I511-R514 VanDerWaalsContact O-N 3.09Å; I511-L515 HydrophobicContact CG2-CD1 3.73Å; I511-L515 HydrophobicContact CG2-CG 4.27Å; I511-L515 PolarHBondContact O-N 3.36Å
512	L	85.1	Confident	83.2	Confident	23 Å²	23	83.6 Å²	83.6	12%	0.12	40%	0.404	C	S	.	.	H	α-helix	trans	-61.9	-30.9	174.9	-71.7	169.7	0	0	0	112.2	V474 L478 T485 L488 L508 N516 P517	V474-L512 HydrophobicContact CG1-CD2 4.37Å; L478-L512 HydrophobicContact CD1-CD2 3.96Å; T485-L512 HydrophobicContact CG2-CD1 4.29Å; L488-L512 HydrophobicContact CD1-CD1 4.33Å; L488-L512 HydrophobicContact CD1-CD2 3.96Å; L508-L512 HydrophobicContact CD1-CD1 4.36Å; L508-L512 HydrophobicContact CD1-CG 4.4Å; L508-L512 HydrophobicContact CG-CD1 4.12Å; L508-L512 WeakPolarHBondContact O-CB 3.24Å; L508-L512 VanDerWaalsContact O-CG 3.31Å; L508-L512 WeakPolarHBondContact O-CG 3.48Å; L508-L512 PolarHBondContact O-N 3.44Å; L512-N516 PolarHBondContact O-N 3.43Å; L512-P517 HydrophobicContact CD2-CG 3.89Å; L512-P517 WeakPolarHBondContact O-CD 3.5Å
513	K	86	Confident	82.8	Confident	181 Å²	181	82.9 Å²	82.9	79%	0.787	40%	0.404	S	S	*	.	H	α-helix	trans	-73.9	-30.1	173.3	-171.1	174.1	-179.9	-178.9	0	113.3	A509 Q510 I511	A509-K513 WeakPolarHBondContact O-CB 3.3Å; A509-K513 PolarHBondContact O-N 2.97Å; Q510-K513 PolarHBondContact O-N 3.08Å; I511-K513 PolarHBondContact O-N 2.98Å
514	R	84.4	Confident	82.9	Confident	165 Å²	165	86 Å²	86	62%	0.623	42%	0.424	S	S	*	.	H	α-helix	trans	-75.3	-47.5	173.6	-77.7	-169.4	177.8	104.7	3.7	112.7	E471 Q510 I511 N516	E471-R514 WeakPolarHBondContact OE1-CB 3.32Å; E471-R514 WeakPolarHBondContact OE2-CD 3.24Å; Q510-R514 PolarHBondContact O-N 2.78Å; I511-R514 PolarHBondContact O-N 3.16Å; I511-R514 VanDerWaalsContact O-N 3.09Å; R514-N516 PolarHBondContact O-N 3.06Å
515	L	82.9	Confident	82.9	Confident	27 Å²	27	91.8 Å²	91.8	14%	0.141	45%	0.449	C	S	.	.	H	α-helix	trans	-71	-17.6	-178.3	-67.6	176.1	0	0	0	113.4	E471 V474 R475 L478 I511 P517	E471-L515 HydrophobicContact CG-CD1 4.35Å; E471-L515 HydrophobicContact CG-CD2 3.83Å; E471-L515 HydrophobicContact CG-CG 4.01Å; V474-L515 HydrophobicContact CB-CD1 4.23Å; V474-L515 HydrophobicContact CG1-CD1 4.13Å; R475-L515 HydrophobicContact CB-CD1 4.08Å; R475-L515 HydrophobicContact CB-CD2 4.15Å; R475-L515 HydrophobicContact CG-CD2 4.17Å; L478-L515 HydrophobicContact CD1-CD1 4.26Å; I511-L515 HydrophobicContact CG2-CD1 3.73Å; I511-L515 HydrophobicContact CG2-CG 4.27Å; I511-L515 PolarHBondContact O-N 3.36Å; L515-P517 VanDerWaalsContact C-CD 3.43Å; L515-P517 VanDerWaalsContact C-N 3.32Å; L515-P517 VanDerWaalsContact O-N 3.16Å
516	N	81.9	Confident	82.9	Confident	118 Å²	118	92.9 Å²	92.9	63%	0.631	45%	0.451	S	S	*	.			trans	36.6	52.7	-175.9	-166.1	50.4	0	0	0	114.8	L512 R514	L512-N516 PolarHBondContact O-N 3.43Å; R514-N516 PolarHBondContact O-N 3.06Å
517	P	83.8	Confident	82.8	Confident	5 Å²	5	89.7 Å²	89.7	3%	0.032	43%	0.433	C	S	.	.			trans	-66.3	147.5	-174.1	27.6	-33.5	0	0	0	112.3	L478 L512 L515 F528 Y529 L530	L478-P517 HydrophobicContact CD1-CB 4.04Å; L478-P517 HydrophobicContact CD1-CG 4.03Å; L512-P517 HydrophobicContact CD2-CG 3.89Å; L512-P517 WeakPolarHBondContact O-CD 3.5Å; L515-P517 VanDerWaalsContact C-CD 3.43Å; L515-P517 VanDerWaalsContact C-N 3.32Å; L515-P517 VanDerWaalsContact O-N 3.16Å; P517-F528 HydrophobicContact CB-CB 4.24Å; P517-F528 HydrophobicContact CG-CB 4.09Å; P517-F528 HydrophobicContact CG-CD1 3.94Å; P517-F528 HydrophobicContact CG-CG 4.4Å; P517-Y529 CarbonylContact C-O 3.4Å; P517-Y529 WeakPolarHBondContact CA-O 3.28Å; P517-Y529 WeakPolarHBondContact CB-O 3.41Å; P517-L530 HydrophobicContact CB-CD1 4.26Å
518	E	81.1	Confident	83	Confident	101 Å²	101	88.2 Å²	88.2	47%	0.472	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	146.6	176.9	-65.1	-162.7	169.9	0	0	111.1	F528 Y529	E518-F528 WeakPolarHBondContact O-CA 3.48Å; E518-Y529 HydrophobicContact CB-CD1 4.25Å; E518-Y529 HydrophobicContact CB-CD2 4.2Å; E518-Y529 HydrophobicContact CB-CE1 3.67Å; E518-Y529 HydrophobicContact CB-CE2 3.63Å; E518-Y529 HydrophobicContact CB-CG 4.47Å; E518-Y529 WeakPolarHBondContact CB-OH 3.43Å; E518-Y529 HydrophobicContact CG-CE2 4.24Å; E518-Y529 PolarHBondContact N-O 3.48Å; E518-Y529 PolarHBondContact O-N 2.9Å; E518-Y529 VanDerWaalsContact O-N 3.13Å; E518-Y529 WeakPolarHBondContact OE2-CE2 3.15Å; E518-Y529 PolarHBondContact OE2-OH 3.11Å
519	R	83.1	Confident	83	Confident	163 Å²	163	91.1 Å²	91.1	62%	0.615	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	109.1	-170.7	-53.3	-174.6	-166.5	173.7	6.2	109.8	M526 H527 F528	R519-M526 HydrophobicContact CB-CG 4.46Å; R519-H527 WeakPolarHBondContact CA-O 3.43Å; R519-F528 HydrophobicContact CG-CD1 3.86Å; R519-F528 HydrophobicContact CG-CE1 3.76Å
520	K	83.3	Confident	82.9	Confident	126 Å²	126	89.9 Å²	89.9	55%	0.548	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.1	175.1	-171.8	167	-174.8	170.2	0	109.6	V522 H527 Y529	K520-V522 HydrophobicContact CB-CG2 4.46Å; K520-V522 HydrophobicContact CD-CG2 4.37Å; K520-V522 HydrophobicContact CG-CG2 3.95Å; K520-H527 PolarHBondContact N-O 2.98Å; K520-H527 PolarHBondContact O-N 2.95Å; K520-Y529 HydrophobicContact CB-CD1 4.42Å; K520-Y529 HydrophobicContact CB-CE1 3.65Å
521	M	79.5	Confident	82.1	Confident	148 Å²	148	89 Å²	89	73%	0.729	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.3	167.1	-66.1	-169.4	-177.6	0	0	108.2
522	V	77.8	Confident	80.8	Confident	59 Å²	59	98.6 Å²	98.6	36%	0.358	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	124	174.9	-174.2	0	0	0	0	106.6	K520 D524 K525 H527	K520-V522 HydrophobicContact CB-CG2 4.46Å; K520-V522 HydrophobicContact CD-CG2 4.37Å; K520-V522 HydrophobicContact CG-CG2 3.95Å; V522-D524 VanDerWaalsContact C-N 3.35Å; V522-D524 PolarHBondContact O-N 3.33Å; V522-K525 PolarHBondContact N-O 3.15Å; V522-K525 PolarHBondContact O-N 3.39Å; V522-K525 VanDerWaalsContact O-N 3.07Å; V522-K525 VanDerWaalsContact O-O 3.14Å; V522-H527 PolarHBondContact O-CE1 2.8Å; V522-H527 VanDerWaalsContact O-CE1 3.29Å; V522-H527 PolarHBondContact O-ND1 3.23Å
523	N	71.6	Confident	80.6	Confident	130 Å²	130	102.4 Å²	102.4	70%	0.695	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	53.4	-179.6	-53.3	6.7	0	0	0	112	K525	N523-K525 WeakPolarHBondContact O-CD 3.44Å; N523-K525 PolarHBondContact O-N 3.45Å; N523-K525 VanDerWaalsContact O-N 3.08Å; N523-K525 PolarHBondContact O-NZ 3.41Å
524	D	80.4	Confident	80.3	Confident	166 Å²	166	98.3 Å²	98.3	89%	0.888	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	19.7	-176.8	-55	-33.6	0	0	0	116.1	V522	V522-D524 VanDerWaalsContact C-N 3.35Å; V522-D524 PolarHBondContact O-N 3.33Å
525	K	82.3	Confident	80.1	Confident	125 Å²	125	94.6 Å²	94.6	54%	0.543	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131	-179.7	-69.1	147.7	-166.9	137.3	0	110.1	T484 V522 N523 H527	T484-K525 HydrophobicContact CG2-CB 4.2Å; V522-K525 PolarHBondContact N-O 3.15Å; V522-K525 PolarHBondContact O-N 3.39Å; V522-K525 VanDerWaalsContact O-N 3.07Å; V522-K525 VanDerWaalsContact O-O 3.14Å; N523-K525 WeakPolarHBondContact O-CD 3.44Å; N523-K525 PolarHBondContact O-N 3.45Å; N523-K525 VanDerWaalsContact O-N 3.08Å; N523-K525 PolarHBondContact O-NZ 3.41Å; K525-H527 PolarHBondContact O-N 2.89Å; K525-H527 PolarHBondContact O-ND1 3.06Å
526	M	83.3	Confident	79.9	Confident	87 Å²	87	98.5 Å²	98.5	43%	0.429	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	111.4	171.2	-173.6	179.2	-65	0	0	109.2	R519 F528	R519-M526 HydrophobicContact CB-CG 4.46Å; M526-F528 HydrophobicContact CG-CE2 4.13Å; M526-F528 HydrophobicContact CG-CZ 3.96Å; M526-F528 HydrophobicContact SD-CE1 4.12Å; M526-F528 HydrophobicContact SD-CE2 4.28Å; M526-F528 HydrophobicContact SD-CZ 3.58Å; M526-F528 VanDerWaalsContact SD-CZ 3.58Å
527	H	85.3	Confident	79.8	Confident	34 Å²	34	97.3 Å²	97.3	16%	0.157	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	141.1	172.5	-68.2	76.9	0	0	0	109.5	P482 R519 K520 V522 K525	P482-H527 HydrophobicContact CB-CB 4.13Å; R519-H527 WeakPolarHBondContact CA-O 3.43Å; K520-H527 PolarHBondContact N-O 2.98Å; K520-H527 PolarHBondContact O-N 2.95Å; V522-H527 PolarHBondContact O-CE1 2.8Å; V522-H527 VanDerWaalsContact O-CE1 3.29Å; V522-H527 PolarHBondContact O-ND1 3.23Å; K525-H527 PolarHBondContact O-N 2.89Å; K525-H527 PolarHBondContact O-ND1 3.06Å
528	F	86.6	Confident	79.6	Confident	17 Å²	17	103.5 Å²	103.5	8%	0.075	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.8	173.2	-57.6	-89.5	0	0	0	108.7	L478 P482 M483 T485 P517 E518 R519 M526	L478-F528 HydrophobicContact CD2-CB 3.62Å; L478-F528 VanDerWaalsContact CD2-O 3.27Å; L478-F528 WeakPolarHBondContact CD2-O 3.36Å; P482-F528 WeakPolarHBondContact CA-O 3.32Å; M483-F528 PolarHBondContact N-O 3.46Å; M483-F528 PolarHBondContact O-N 3.4Å; T485-F528 VanDerWaalsContact OG1-CE2 3.22Å; T485-F528 WeakPolarHBondContact OG1-CE2 3.5Å; P517-F528 HydrophobicContact CB-CB 4.24Å; P517-F528 HydrophobicContact CG-CB 4.09Å; P517-F528 HydrophobicContact CG-CD1 3.94Å; P517-F528 HydrophobicContact CG-CG 4.4Å; E518-F528 WeakPolarHBondContact O-CA 3.48Å; R519-F528 HydrophobicContact CG-CD1 3.86Å; R519-F528 HydrophobicContact CG-CE1 3.76Å; M526-F528 HydrophobicContact CG-CE2 4.13Å; M526-F528 HydrophobicContact CG-CZ 3.96Å; M526-F528 HydrophobicContact SD-CE1 4.12Å; M526-F528 HydrophobicContact SD-CE2 4.28Å; M526-F528 HydrophobicContact SD-CZ 3.58Å; M526-F528 VanDerWaalsContact SD-CZ 3.58Å
529	Y	85.5	Confident	79.4	Confident	65 Å²	65	103.6 Å²	103.6	26%	0.255	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	164.4	172.7	61.4	-77.1	0	0	0	109.4	P517 E518 K520	P517-Y529 CarbonylContact C-O 3.4Å; P517-Y529 WeakPolarHBondContact CA-O 3.28Å; P517-Y529 WeakPolarHBondContact CB-O 3.41Å; E518-Y529 HydrophobicContact CB-CD1 4.25Å; E518-Y529 HydrophobicContact CB-CD2 4.2Å; E518-Y529 HydrophobicContact CB-CE1 3.67Å; E518-Y529 HydrophobicContact CB-CE2 3.63Å; E518-Y529 HydrophobicContact CB-CG 4.47Å; E518-Y529 WeakPolarHBondContact CB-OH 3.43Å; E518-Y529 HydrophobicContact CG-CE2 4.24Å; E518-Y529 PolarHBondContact N-O 3.48Å; E518-Y529 PolarHBondContact O-N 2.9Å; E518-Y529 VanDerWaalsContact O-N 3.13Å; E518-Y529 WeakPolarHBondContact OE2-CE2 3.15Å; E518-Y529 PolarHBondContact OE2-OH 3.11Å; K520-Y529 HydrophobicContact CB-CD1 4.42Å; K520-Y529 HydrophobicContact CB-CE1 3.65Å
530	L	83.2	Confident	79.2	Confident	28 Å²	28	99.1 Å²	99.1	15%	0.147	49%	0.491	C	S	.	.			trans	-137.9	120.1	177.7	-165	75.4	0	0	0	108.2	R475 L478 I479 P517	R475-L530 HydrophobicContact CG-CD2 3.6Å; L478-L530 HydrophobicContact CB-CB 4.05Å; L478-L530 PolarHBondContact O-N 2.6Å; I479-L530 WeakPolarHBondContact CA-O 3.29Å; I479-L530 HydrophobicContact CD1-CD2 4.44Å; I479-L530 HydrophobicContact CG1-CB 4.08Å; I479-L530 HydrophobicContact CG1-CD2 4.19Å; I479-L530 HydrophobicContact CG1-CG 4.49Å; I479-L530 WeakPolarHBondContact CG1-O 3.32Å; P517-L530 HydrophobicContact CB-CD1 4.26Å
531	T	71	Confident	78.8	Confident	95 Å²	95	96.8 Å²	96.8	58%	0.583	49%	0.486	S	S	*	.			trans	-70.5	152.5	163.5	49.5	0	0	0	0	109.2
532	E	59.5	Low	78.8	Confident	208 Å²	208	92.2 Å²	92.2	97%	0.972	46%	0.464	S	S	*	.			trans	-65	0	-171.1	-171.7	162.1	176	0	0	114.2	R475	R475-E532 PolarHBondContact NH2-OXT 2.83Å; R475-E532 VanDerWaalsContact NH2-OXT 3.11Å

Retrieved 532 of 532 residues in 135.7 ms (Link to these results)

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