A0A087XS80_POEFO Loading...

Microcephalin 1

AlphaFold DB , UniProt , Accession A0A087XS80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 808 aa.

						>A0A087XS80_POEFO|A0A087XS80
MTSSKSSVLKDVVAYVDVWSSDKRANYSKPFIQQLEEMGARVSKGFNKQVTHVVFSYGHQATWKKAKKRDVQLVSVLWVGRCYDDGVRADESLFPALNDEKNPVMKNRQHRCMLPKHSPERTIENDWRLKKKFEKLVKELPLSEPQVVDTSPIIIDQENGIIYSPALKRSDYMAQRLKDMKEKRENISPTASHVADSCSPTSLKPSLGSTPTFLKFISDDVSDEAFVAEPGGSPAKEEERSSDDEDHNLSGRDSTKPWLSPCQDVPKSSLHDEEVKKVKKQRKSRRLSVRKKSSETIRSGDFSQSPVQDTPSKSQILHKERRQSHGKPTRVLPKESENKLKIPVKKPSTDTKSQVSPNAVKSLNRRSSSATVVRAATETPNKSAPAKKTECRTPKKARLSFSALVRSFTVPSECKNVASSSTDGGTDVFEDYFSPSNHKRPVLPSLHVESKIEVPFELDPLPKRRKPRKSGICGSEKKKRKLEESHCDKYLKHESRRSSGRVQGDLEFPLLGPNSPTVDVKQVSQRQNSVEFSSSSKTTEDAEKLRPASTSGNPPLDKEDVTESEQQKNSDLTANCHSSESGGNECTVAAGFTEITSVAEENQNKQADGSLQKMVNKTKAPRTLVMTSMPSEKQQTVLQVVKALGGFSIIDRVCESTTHVVSGEHRRTLNILLGIARGCWILSFEWILWCLEQRQWIPEEPYELSDQFPAAQICRLQRHLSAGEHQQNLFQDQPPIFVSQRSQPPTQSLVELIELCGGTACKTVRQAGICIGKYSGRRPEGSRILSEQWILDSITNLKILPYDNYDLE
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	63.3	Low	244 Å²	244	102.7 Å²	102.7	100%	1.202	58%	0.582	S	S	*	*				0	129.5	0	-72	176.3	167	0	0	108.6
2	T	45.5	Very low	65.1	Low	130 Å²	130	94.3 Å²	94.3	80%	0.798	54%	0.535	S	S	*	.			trans	-143	1	-178.8	43.7	0	0	0	0	114	S4	T2-S4 VanDerWaalsContact C-N 3.28Å; T2-S4 PolarHBondContact O-N 2.73Å; T2-S4 VanDerWaalsContact O-N 3.13Å
3	S	48.9	Very low	66.9	Low	112 Å²	112	89 Å²	89	78%	0.783	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	20.2	-166	-165.4	0	0	0	0	115.6
4	S	55.1	Low	68.5	Low	89 Å²	89	82.6 Å²	82.6	62%	0.622	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-19.4	-176	53.4	0	0	0	0	115.2	T2 S7	T2-S4 VanDerWaalsContact C-N 3.28Å; T2-S4 PolarHBondContact O-N 2.73Å; T2-S4 VanDerWaalsContact O-N 3.13Å; S4-S7 PolarHBondContact O-OG 3.3Å
5	K	57.6	Low	70	Confident	82 Å²	82	80 Å²	80	36%	0.357	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-75.2	-26	-179	-70.4	-154.5	175.6	-159.9	0	114.1	S7 V8 M38 Y83	K5-S7 PolarHBondContact O-N 3.11Å; K5-V8 WeakPolarHBondContact O-CG2 3.26Å; K5-V8 PolarHBondContact O-N 3.47Å; K5-M38 CarbonylContact O-C 3.56Å; K5-M38 WeakPolarHBondContact O-CA 3.19Å; K5-Y83 PolarHBondContact NZ-O 3.24Å
6	S	61.1	Low	71.3	Confident	72 Å²	72	75.5 Å²	75.5	50%	0.503	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-77.7	3.3	-171.5	54.2	0	0	0	0	115.8	G39	S6-G39 WeakPolarHBondContact O-CA 3.35Å
7	S	70.9	Confident	72.4	Confident	78 Å²	78	71.2 Å²	71.2	55%	0.545	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-109.1	-7.5	176.9	53.3	0	0	0	0	114.2	S4 K5 L9	S4-S7 PolarHBondContact O-OG 3.3Å; K5-S7 PolarHBondContact O-N 3.11Å; S7-L9 PolarHBondContact O-N 3.46Å
8	V	76.9	Confident	73.2	Confident	28 Å²	28	67.6 Å²	67.6	17%	0.17	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-37.7	-167.3	-179.6	0	0	0	0	112.8	K5 M38 G86	K5-V8 WeakPolarHBondContact O-CG2 3.26Å; K5-V8 PolarHBondContact O-N 3.47Å; V8-M38 PolarHBondContact N-O 2.77Å; V8-G86 WeakPolarHBondContact CG2-O 3.37Å
9	L	81.1	Confident	73.9	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	26.9	-175	-60.3	-178.8	0	0	0	113.1	S7 D11 V12 L35 M38 A40 W78 C82 R88	S7-L9 PolarHBondContact O-N 3.46Å; L9-D11 VanDerWaalsContact C-N 3.25Å; L9-D11 PolarHBondContact O-N 3.4Å; L9-D11 VanDerWaalsContact O-N 3.07Å; L9-V12 HydrophobicContact CB-CB 4.18Å; L9-V12 HydrophobicContact CB-CG2 4.19Å; L9-V12 HydrophobicContact CD2-CG2 4.21Å; L9-V12 WeakPolarHBondContact O-CB 3.32Å; L9-V12 PolarHBondContact O-N 3.22Å; L9-L35 HydrophobicContact CD1-CD2 3.69Å; L9-M38 HydrophobicContact CB-CB 4.29Å; L9-M38 HydrophobicContact CD1-CB 3.83Å; L9-M38 HydrophobicContact CD1-CE 3.82Å; L9-M38 HydrophobicContact CD1-CG 4.46Å; L9-M38 HydrophobicContact CD1-SD 3.76Å; L9-M38 HydrophobicContact CG-CB 4.02Å; L9-M38 HydrophobicContact CG-SD 4.33Å; L9-M38 PolarHBondContact N-O 3.19Å; L9-A40 HydrophobicContact CB-CB 3.76Å; L9-A40 HydrophobicContact CD1-CB 4.36Å; L9-A40 WeakPolarHBondContact O-CA 3.17Å; L9-W78 HydrophobicContact CD1-CH2 4.16Å; L9-W78 HydrophobicContact CD1-CZ3 4.32Å; L9-W78 HydrophobicContact CD2-CH2 3.98Å; L9-W78 HydrophobicContact CD2-CZ2 4.22Å; L9-C82 HydrophobicContact CD1-CB 4.24Å; L9-C82 HydrophobicContact CD2-CB 4.41Å; L9-R88 HydrophobicContact CD2-CB 3.94Å; L9-R88 HydrophobicContact CD2-CG 3.85Å
10	K	77.1	Confident	74.3	Confident	154 Å²	154	64.6 Å²	64.6	67%	0.67	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-33.8	-170.3	-168.7	177.7	179.1	-176.2	0	115.6
11	D	81.8	Confident	74.3	Confident	139 Å²	139	64.9 Å²	64.9	74%	0.743	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	1.8	-179.3	-54.3	-53.7	0	0	0	113.5	L9	L9-D11 VanDerWaalsContact C-N 3.25Å; L9-D11 PolarHBondContact O-N 3.4Å; L9-D11 VanDerWaalsContact O-N 3.07Å
12	V	84.7	Confident	75.7	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.012	34%	0.338	C	S	.	.			trans	-86.1	123.7	177.9	173.1	0	0	0	0	110.2	L9 A14 A40 R41 H52 W78	L9-V12 HydrophobicContact CB-CB 4.18Å; L9-V12 HydrophobicContact CB-CG2 4.19Å; L9-V12 HydrophobicContact CD2-CG2 4.21Å; L9-V12 WeakPolarHBondContact O-CB 3.32Å; L9-V12 PolarHBondContact O-N 3.22Å; V12-A14 HydrophobicContact CG1-CB 4.15Å; V12-A40 HydrophobicContact CB-CB 4.17Å; V12-A40 HydrophobicContact CG1-CB 4.23Å; V12-R41 PolarHBondContact O-N 3.22Å; V12-H52 HydrophobicContact CG1-CB 3.99Å; V12-W78 HydrophobicContact CG1-CH2 4.41Å
13	V	88.1	Confident	77	Confident	25 Å²	25	57.1 Å²	57.1	15%	0.152	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	100.8	167.7	-175.5	0	0	0	0	107.8	R41 Q49 V50 T51 H52	V13-R41 VanDerWaalsContact CA-O 3.27Å; V13-R41 WeakPolarHBondContact CA-O 3.46Å; V13-R41 WeakPolarHBondContact CG1-O 3.14Å; V13-R41 HydrophobicContact CG2-CB 4.38Å; V13-Q49 WeakPolarHBondContact CB-O 3.46Å; V13-Q49 HydrophobicContact CG1-CB 4.48Å; V13-Q49 WeakPolarHBondContact CG1-O 3.04Å; V13-V50 CarbonylContact O-C 3.57Å; V13-V50 WeakPolarHBondContact O-CA 3.31Å; V13-T51 PolarHBondContact N-OG1 3.45Å; V13-T51 PolarHBondContact O-N 3.12Å; V13-H52 PolarHBondContact O-N 3.48Å; V13-H52 VanDerWaalsContact O-N 3.17Å
14	A	90.1	Very high	78	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	146.5	-172.3	0	0	0	0	0	112.8	V12 L35 R41 V42 S43 H52	V12-A14 HydrophobicContact CG1-CB 4.15Å; A14-L35 HydrophobicContact CB-CD1 3.83Å; A14-R41 PolarHBondContact N-O 3Å; A14-R41 VanDerWaalsContact N-O 3.16Å; A14-V42 HydrophobicContact CB-CG2 4.45Å; A14-V42 WeakPolarHBondContact O-CA 3.35Å; A14-S43 PolarHBondContact O-N 3.06Å; A14-H52 CarbonylContact C-O 3.6Å; A14-H52 WeakPolarHBondContact CA-O 3.44Å
15	Y	90.7	Very high	79.2	Confident	43 Å²	43	56.7 Å²	56.7	17%	0.169	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.5	162.3	179.6	-114.9	0	0	0	109.4	D17 S43 G45 F46 H52 V53 V54 T62	Y15-D17 HydrophobicContact CE1-CB 4.02Å; Y15-S43 WeakPolarHBondContact CD2-O 3.33Å; Y15-G45 VanDerWaalsContact CE2-CA 3.45Å; Y15-F46 HydrophobicContact CD1-CB 4.16Å; Y15-F46 HydrophobicContact CD1-CD2 4.14Å; Y15-F46 HydrophobicContact CE1-CB 4.24Å; Y15-H52 PolarHBondContact N-O 2.92Å; Y15-V53 HydrophobicContact CD1-CG1 4.48Å; Y15-V53 CarbonylContact O-C 3.49Å; Y15-V53 VanDerWaalsContact O-CA 3.32Å; Y15-V53 WeakPolarHBondContact O-CA 3.39Å; Y15-V54 PolarHBondContact O-N 2.88Å; Y15-T62 HydrophobicContact CD1-CG2 3.77Å; Y15-T62 HydrophobicContact CE1-CG2 3.56Å
16	V	90.6	Very high	80.6	Confident	8 Å²	8	56.4 Å²	56.4	5%	0.048	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.8	-173.2	-173.2	0	0	0	0	110.1	V18 F31 I32 L35 V42 V54	V16-V18 HydrophobicContact CG1-CB 4.16Å; V16-V18 HydrophobicContact CG1-CG2 3.66Å; V16-F31 HydrophobicContact CG1-CB 4.09Å; V16-I32 HydrophobicContact CB-CG1 3.9Å; V16-I32 HydrophobicContact CG1-CG1 4.41Å; V16-I32 HydrophobicContact CG2-CG1 3.8Å; V16-L35 HydrophobicContact CG2-CD1 3.63Å; V16-V42 HydrophobicContact CG2-CG1 4.44Å; V16-V54 HydrophobicContact CG1-CB 4.38Å; V16-V54 HydrophobicContact CG2-CB 4.37Å
17	D	89.1	Confident	81.7	Confident	3 Å²	3	59 Å²	59	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	73.6	178.6	-166.1	16.5	0	0	0	109.4	Y15 W19 V54 F55 S56 H59 T62	Y15-D17 HydrophobicContact CE1-CB 4.02Å; D17-W19 VanDerWaalsContact OD1-CD1 3.27Å; D17-W19 PolarHBondContact OD1-NE1 3.3Å; D17-V54 PolarHBondContact N-O 2.88Å; D17-F55 HydrophobicContact CB-CD2 4.43Å; D17-S56 PolarHBondContact O-N 3.4Å; D17-H59 IonicContact OD1-CD2 3.47Å; D17-H59 PolarHBondContact OD2-N 2.89Å; D17-T62 HydrophobicContact CB-CG2 4.06Å; D17-T62 WeakPolarHBondContact OD2-CB 3.36Å; D17-T62 PolarHBondContact OD2-OG1 3.32Å
18	V	88.1	Confident	82.5	Confident	6 Å²	6	56 Å²	56	4%	0.036	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.3	-171.4	174.3	0	0	0	0	109.7	V16 N26 Y27 S28 F31 V54 S56 V76	V16-V18 HydrophobicContact CG1-CB 4.16Å; V16-V18 HydrophobicContact CG1-CG2 3.66Å; V18-N26 PolarHBondContact O-OD1 3.22Å; V18-Y27 PolarHBondContact O-N 2.56Å; V18-S28 PolarHBondContact O-N 3Å; V18-F31 HydrophobicContact CB-CD2 4.31Å; V18-F31 HydrophobicContact CG1-CD2 3.94Å; V18-F31 HydrophobicContact CG1-CE2 3.77Å; V18-F31 HydrophobicContact CG2-CD2 4.38Å; V18-V54 HydrophobicContact CG2-CG1 3.96Å; V18-S56 WeakPolarHBondContact CA-O 3.32Å; V18-V76 HydrophobicContact CB-CG2 4.45Å; V18-V76 HydrophobicContact CG1-CG2 3.88Å; V18-V76 HydrophobicContact CG2-CG2 3.63Å
19	W	86.2	Confident	82.9	Confident	48 Å²	48	62.8 Å²	62.8	18%	0.182	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-131.5	166.1	-174.8	-66.5	72.8	0	0	0	111.5	D17 K23 A25 N26 S56 H59	D17-W19 VanDerWaalsContact OD1-CD1 3.27Å; D17-W19 PolarHBondContact OD1-NE1 3.3Å; W19-K23 WeakPolarHBondContact CZ3-O 3.32Å; W19-A25 WeakPolarHBondContact CA-O 3.24Å; W19-N26 HydrophobicContact CD2-CB 3.96Å; W19-N26 HydrophobicContact CE3-CB 3.89Å; W19-N26 HydrophobicContact CH2-CB 4.04Å; W19-N26 HydrophobicContact CZ2-CB 4.1Å; W19-N26 WeakPolarHBondContact CZ2-ND2 3.33Å; W19-N26 HydrophobicContact CZ3-CB 3.93Å; W19-S56 PolarHBondContact N-O 2.82Å; W19-H59 AromaticContact CE2-NE2 3.73Å; W19-H59 AromaticContact CH2-NE2 3.89Å; W19-H59 AromaticContact CZ2-CD2 3.95Å; W19-H59 AromaticContact CZ2-NE2 3.23Å; W19-H59 WeakPolarHBondContact CZ2-NE2 3.43Å; W19-H59 AromaticContact NE1-CD2 3.96Å
20	S	81.4	Confident	83.1	Confident	26 Å²	26	65.6 Å²	65.6	18%	0.182	32%	0.322	C	S	.	.			trans	-56.8	154.3	160.8	175	0	0	0	0	111.1	D22 K23 A25	S20-D22 PolarHBondContact O-N 3.08Å; S20-D22 VanDerWaalsContact O-N 3.08Å; S20-D22 PolarHBondContact OG-N 3.42Å; S20-K23 WeakPolarHBondContact O-CA 3.44Å; S20-K23 PolarHBondContact O-N 3.35Å; S20-A25 PolarHBondContact N-O 3.49Å
21	S	73.8	Confident	83.6	Confident	72 Å²	72	60.4 Å²	60.4	50%	0.503	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.5	-39.5	166.6	48.3	0	0	0	0	112.8	K23	S21-K23 VanDerWaalsContact C-N 3.28Å; S21-K23 PolarHBondContact O-N 2.95Å
22	D	70.1	Confident	84	Confident	110 Å²	110	56 Å²	56	59%	0.588	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5	-172.9	-57.4	6.9	0	0	0	112.2	S20 R24	S20-D22 PolarHBondContact O-N 3.08Å; S20-D22 VanDerWaalsContact O-N 3.08Å; S20-D22 PolarHBondContact OG-N 3.42Å; D22-R24 HydrophobicContact CB-CG 4.25Å; D22-R24 PolarHBondContact O-N 2.96Å; D22-R24 VanDerWaalsContact O-N 3.08Å
23	K	74.6	Confident	84.1	Confident	101 Å²	101	61.3 Å²	61.3	44%	0.439	30%	0.3	S	S	.	.	S	Bend	trans	56.4	21.9	-179.1	-43.7	-164.1	-175.5	-139.3	0	114.5	W19 S20 S21 Y57 G58	W19-K23 WeakPolarHBondContact CZ3-O 3.32Å; S20-K23 WeakPolarHBondContact O-CA 3.44Å; S20-K23 PolarHBondContact O-N 3.35Å; S21-K23 VanDerWaalsContact C-N 3.28Å; S21-K23 PolarHBondContact O-N 2.95Å; K23-Y57 VanDerWaalsContact CD-O 3.31Å; K23-Y57 WeakPolarHBondContact CD-O 3.46Å; K23-Y57 WeakPolarHBondContact CE-O 2.94Å; K23-Y57 PolarHBondContact NZ-O 2.81Å; K23-G58 PolarHBondContact NZ-O 3.03Å
24	R	70	Confident	84.1	Confident	157 Å²	157	62.6 Å²	62.6	59%	0.592	31%	0.305	S	S	*	.	S	Bend	trans	-87.4	-42	175.4	-64.9	-179.1	-176.8	-89.8	9.3	112.9	D22 H117	D22-R24 HydrophobicContact CB-CG 4.25Å; D22-R24 PolarHBondContact O-N 2.96Å; D22-R24 VanDerWaalsContact O-N 3.08Å; R24-H117 PolarHBondContact NH2-O 3.13Å
25	A	79.1	Confident	84	Confident	35 Å²	35	62.6 Å²	62.6	29%	0.289	31%	0.305	S	S	.	.	S	Bend	trans	-105.2	138.2	179.4	0	0	0	0	0	111.2	W19 S20 Y27	W19-A25 WeakPolarHBondContact CA-O 3.24Å; S20-A25 PolarHBondContact N-O 3.49Å; A25-Y27 HydrophobicContact CB-CE1 4.39Å; A25-Y27 HydrophobicContact CB-CE2 3.98Å
26	N	86.4	Confident	83.9	Confident	76 Å²	76	65.9 Å²	65.9	41%	0.406	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-105.2	119.4	176.6	-176.8	-24	0	0	0	109.1	V18 W19 S28	V18-N26 PolarHBondContact O-OD1 3.22Å; W19-N26 HydrophobicContact CD2-CB 3.96Å; W19-N26 HydrophobicContact CE3-CB 3.89Å; W19-N26 HydrophobicContact CH2-CB 4.04Å; W19-N26 HydrophobicContact CZ2-CB 4.1Å; W19-N26 WeakPolarHBondContact CZ2-ND2 3.33Å; W19-N26 HydrophobicContact CZ3-CB 3.93Å; N26-S28 VanDerWaalsContact OD1-CB 3.29Å; N26-S28 WeakPolarHBondContact OD1-CB 3.35Å; N26-S28 PolarHBondContact OD1-N 2.67Å; N26-S28 PolarHBondContact OD1-OG 3.18Å
27	Y	84.3	Confident	83.6	Confident	127 Å²	127	69.4 Å²	69.4	50%	0.498	34%	0.337	S	S	.	.			trans	-108.8	19.7	-177.6	-60.6	-69.1	0	0	0	112.4	V18 A25 K29 P30 F31	V18-Y27 PolarHBondContact O-N 2.56Å; A25-Y27 HydrophobicContact CB-CE1 4.39Å; A25-Y27 HydrophobicContact CB-CE2 3.98Å; Y27-K29 VanDerWaalsContact C-N 3.31Å; Y27-K29 PolarHBondContact O-N 3.38Å; Y27-P30 VanDerWaalsContact O-CD 3.3Å; Y27-P30 WeakPolarHBondContact O-CD 3.26Å; Y27-P30 WeakPolarHBondContact O-CG 3.49Å; Y27-F31 WeakPolarHBondContact O-CD2 3.1Å; Y27-F31 WeakPolarHBondContact O-CE2 3.32Å
28	S	87.4	Confident	83.3	Confident	14 Å²	14	69.3 Å²	69.3	10%	0.098	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-36.5	179.2	67.9	0	0	0	0	113.3	V18 N26 F31 I32	V18-S28 PolarHBondContact O-N 3Å; N26-S28 VanDerWaalsContact OD1-CB 3.29Å; N26-S28 WeakPolarHBondContact OD1-CB 3.35Å; N26-S28 PolarHBondContact OD1-N 2.67Å; N26-S28 PolarHBondContact OD1-OG 3.18Å; S28-F31 PolarHBondContact O-N 3.31Å; S28-I32 WeakPolarHBondContact O-CG1 3.47Å; S28-I32 PolarHBondContact O-N 3.05Å
29	K	86	Confident	83.1	Confident	170 Å²	170	70.3 Å²	70.3	74%	0.739	35%	0.349	S	S	*	.	H	α-helix	trans	-44.2	-56.5	-174	-68.3	-175.4	177.8	-176.9	0	115.5	Y27 F31 I32 Q33	Y27-K29 VanDerWaalsContact C-N 3.31Å; Y27-K29 PolarHBondContact O-N 3.38Å; K29-F31 PolarHBondContact O-N 2.92Å; K29-I32 WeakPolarHBondContact O-CB 3.09Å; K29-I32 PolarHBondContact O-N 3.13Å; K29-Q33 PolarHBondContact O-N 2.83Å; K29-Q33 VanDerWaalsContact O-N 3.1Å
30	P	86.6	Confident	83.1	Confident	62 Å²	62	68.3 Å²	68.3	40%	0.403	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-40.5	179	22.3	-35	0	0	0	113.1	Y27 Q33 Q34	Y27-P30 VanDerWaalsContact O-CD 3.3Å; Y27-P30 WeakPolarHBondContact O-CD 3.26Å; Y27-P30 WeakPolarHBondContact O-CG 3.49Å; P30-Q33 PolarHBondContact O-N 3.46Å; P30-Q34 WeakPolarHBondContact O-CG 3.44Å; P30-Q34 PolarHBondContact O-N 3.03Å
31	F	87.3	Confident	83.4	Confident	44 Å²	44	75.6 Å²	75.6	19%	0.193	37%	0.365	C	S	.	.	H	α-helix	trans	-72.4	-30.3	179.6	-52.3	-64.4	0	0	0	112.3	V16 V18 Y27 S28 K29 Q34 L35 V76 V79	V16-F31 HydrophobicContact CG1-CB 4.09Å; V18-F31 HydrophobicContact CB-CD2 4.31Å; V18-F31 HydrophobicContact CG1-CD2 3.94Å; V18-F31 HydrophobicContact CG1-CE2 3.77Å; V18-F31 HydrophobicContact CG2-CD2 4.38Å; Y27-F31 WeakPolarHBondContact O-CD2 3.1Å; Y27-F31 WeakPolarHBondContact O-CE2 3.32Å; S28-F31 PolarHBondContact O-N 3.31Å; K29-F31 PolarHBondContact O-N 2.92Å; F31-Q34 VanDerWaalsContact CD1-OE1 3.32Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 WeakPolarHBondContact O-CD1 3.33Å; F31-L35 WeakPolarHBondContact O-CG 3.31Å; F31-L35 PolarHBondContact O-N 3.33Å; F31-V76 HydrophobicContact CD1-CG1 3.91Å; F31-V76 HydrophobicContact CE1-CG1 3.37Å; F31-V76 HydrophobicContact CE2-CG1 4.06Å; F31-V76 HydrophobicContact CG-CG1 4.47Å; F31-V76 HydrophobicContact CZ-CG1 3.45Å; F31-V76 VanDerWaalsContact CZ-CG1 3.45Å; F31-V79 HydrophobicContact CB-CG1 4.5Å; F31-V79 HydrophobicContact CD1-CG1 4.38Å
32	I	88.9	Confident	84.1	Confident	46 Å²	46	73.3 Å²	73.3	24%	0.236	35%	0.348	C	S	.	.	H	α-helix	trans	-59.8	-50.8	169.1	-66.7	170.6	0	0	0	109.5	V16 S28 K29 L35 E36 V42	V16-I32 HydrophobicContact CB-CG1 3.9Å; V16-I32 HydrophobicContact CG1-CG1 4.41Å; V16-I32 HydrophobicContact CG2-CG1 3.8Å; S28-I32 WeakPolarHBondContact O-CG1 3.47Å; S28-I32 PolarHBondContact O-N 3.05Å; K29-I32 WeakPolarHBondContact O-CB 3.09Å; K29-I32 PolarHBondContact O-N 3.13Å; I32-L35 PolarHBondContact O-N 3.38Å; I32-E36 WeakPolarHBondContact O-CG 3.46Å; I32-E36 PolarHBondContact O-N 3.33Å; I32-V42 HydrophobicContact CB-CG1 4.35Å; I32-V42 HydrophobicContact CG1-CG1 4.01Å; I32-V42 HydrophobicContact CG2-CB 4.19Å; I32-V42 HydrophobicContact CG2-CG1 3.88Å; I32-V42 HydrophobicContact CG2-CG2 4.3Å
33	Q	88.3	Confident	84.9	Confident	115 Å²	115	69.5 Å²	69.5	54%	0.537	33%	0.331	S	S	.	.	H	α-helix	trans	-60.8	-47.2	179.1	-178	-177.9	-25.7	0	0	112	K29 P30 L35 E36 E37	K29-Q33 PolarHBondContact O-N 2.83Å; K29-Q33 VanDerWaalsContact O-N 3.1Å; P30-Q33 PolarHBondContact O-N 3.46Å; Q33-L35 VanDerWaalsContact C-N 3.28Å; Q33-L35 PolarHBondContact O-N 2.79Å; Q33-E36 PolarHBondContact O-N 3.4Å; Q33-E37 HydrophobicContact CG-CG 4.44Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.34Å; Q33-E37 PolarHBondContact NE2-OE1 3.47Å; Q33-E37 WeakPolarHBondContact O-CB 3.41Å; Q33-E37 WeakPolarHBondContact O-CG 3.34Å; Q33-E37 PolarHBondContact O-N 2.98Å
34	Q	86.6	Confident	85.3	Confident	52 Å²	52	75.1 Å²	75.1	24%	0.243	36%	0.355	C	S	.	.	H	α-helix	trans	-59.8	-36.8	177.8	-73.5	174.8	-34.3	0	0	112.8	P30 F31 M38 V79 Y83	P30-Q34 WeakPolarHBondContact O-CG 3.44Å; P30-Q34 PolarHBondContact O-N 3.03Å; F31-Q34 VanDerWaalsContact CD1-OE1 3.32Å; Q34-M38 HydrophobicContact CB-CE 4.43Å; Q34-M38 WeakPolarHBondContact O-CE 3.48Å; Q34-M38 WeakPolarHBondContact O-CG 3.32Å; Q34-M38 PolarHBondContact O-N 3.34Å; Q34-M38 VanDerWaalsContact O-N 3.16Å; Q34-V79 HydrophobicContact CB-CG1 4.06Å; Q34-Y83 HydrophobicContact CB-CD2 4.31Å; Q34-Y83 HydrophobicContact CG-CD2 4.35Å; Q34-Y83 HydrophobicContact CG-CE2 4.4Å
35	L	88.5	Confident	86	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-69.4	-41.7	175.6	-74.2	166.9	0	0	0	112	L9 A14 V16 F31 I32 Q33 M38 G39 A40 V42 V54 W78 V79	L9-L35 HydrophobicContact CD1-CD2 3.69Å; A14-L35 HydrophobicContact CB-CD1 3.83Å; V16-L35 HydrophobicContact CG2-CD1 3.63Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 WeakPolarHBondContact O-CD1 3.33Å; F31-L35 WeakPolarHBondContact O-CG 3.31Å; F31-L35 PolarHBondContact O-N 3.33Å; I32-L35 PolarHBondContact O-N 3.38Å; Q33-L35 VanDerWaalsContact C-N 3.28Å; Q33-L35 PolarHBondContact O-N 2.79Å; L35-M38 HydrophobicContact CD2-CE 4.21Å; L35-M38 PolarHBondContact O-N 3.27Å; L35-G39 PolarHBondContact O-N 3.4Å; L35-A40 HydrophobicContact CB-CB 4.11Å; L35-A40 HydrophobicContact CD2-CB 4.34Å; L35-A40 VanDerWaalsContact O-CB 3.27Å; L35-A40 WeakPolarHBondContact O-CB 3.47Å; L35-A40 PolarHBondContact O-N 2.92Å; L35-V42 HydrophobicContact CB-CG2 3.65Å; L35-V42 HydrophobicContact CD1-CG2 4.33Å; L35-V54 HydrophobicContact CD1-CG2 4.17Å; L35-W78 HydrophobicContact CD2-CZ3 4.04Å; L35-V79 HydrophobicContact CD1-CG2 4.44Å; L35-V79 HydrophobicContact CD2-CG1 4.18Å; L35-V79 HydrophobicContact CD2-CG2 4.32Å; L35-V79 HydrophobicContact CG-CG1 4.01Å; L35-V79 HydrophobicContact CG-CG2 4.46Å
36	E	88.6	Confident	86.2	Confident	112 Å²	112	68.7 Å²	68.7	52%	0.523	33%	0.333	S	S	.	.	H	α-helix	trans	-65.7	-38.9	175.5	-69.6	175.3	167.7	0	0	111.6	I32 Q33 M38 G39 V42	I32-E36 WeakPolarHBondContact O-CG 3.46Å; I32-E36 PolarHBondContact O-N 3.33Å; Q33-E36 PolarHBondContact O-N 3.4Å; E36-M38 VanDerWaalsContact C-N 3.28Å; E36-M38 PolarHBondContact O-N 2.75Å; E36-G39 PolarHBondContact O-N 3.23Å; E36-V42 HydrophobicContact CG-CB 4.17Å; E36-V42 HydrophobicContact CG-CG2 3.75Å
37	E	84.6	Confident	86.1	Confident	81 Å²	81	69 Å²	69	38%	0.379	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-31.9	172.4	-75	175.3	-164	0	0	113	Q33 G39 Y83	Q33-E37 HydrophobicContact CG-CG 4.44Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.34Å; Q33-E37 PolarHBondContact NE2-OE1 3.47Å; Q33-E37 WeakPolarHBondContact O-CB 3.41Å; Q33-E37 WeakPolarHBondContact O-CG 3.34Å; Q33-E37 PolarHBondContact O-N 2.98Å; E37-G39 VanDerWaalsContact C-N 3.27Å; E37-G39 PolarHBondContact O-N 3.46Å; E37-Y83 WeakPolarHBondContact OE2-CE2 3.39Å; E37-Y83 PolarHBondContact OE2-OH 3.45Å
38	M	83.4	Confident	86.1	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.01	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2.7	173.5	-72.5	-174.3	-81	0	0	114.2	K5 V8 L9 Q34 L35 E36 V79 C82 Y83	K5-M38 CarbonylContact O-C 3.56Å; K5-M38 WeakPolarHBondContact O-CA 3.19Å; V8-M38 PolarHBondContact N-O 2.77Å; L9-M38 HydrophobicContact CB-CB 4.29Å; L9-M38 HydrophobicContact CD1-CB 3.83Å; L9-M38 HydrophobicContact CD1-CE 3.82Å; L9-M38 HydrophobicContact CD1-CG 4.46Å; L9-M38 HydrophobicContact CD1-SD 3.76Å; L9-M38 HydrophobicContact CG-CB 4.02Å; L9-M38 HydrophobicContact CG-SD 4.33Å; L9-M38 PolarHBondContact N-O 3.19Å; Q34-M38 HydrophobicContact CB-CE 4.43Å; Q34-M38 WeakPolarHBondContact O-CE 3.48Å; Q34-M38 WeakPolarHBondContact O-CG 3.32Å; Q34-M38 PolarHBondContact O-N 3.34Å; Q34-M38 VanDerWaalsContact O-N 3.16Å; L35-M38 HydrophobicContact CD2-CE 4.21Å; L35-M38 PolarHBondContact O-N 3.27Å; E36-M38 VanDerWaalsContact C-N 3.28Å; E36-M38 PolarHBondContact O-N 2.75Å; M38-V79 HydrophobicContact CE-CG1 3.96Å; M38-C82 HydrophobicContact CE-CB 4.21Å; M38-C82 HydrophobicContact SD-CB 3.64Å; M38-Y83 HydrophobicContact CE-CD2 4.31Å; M38-Y83 HydrophobicContact CG-CD2 4.2Å; M38-Y83 VanDerWaalsContact SD-CA 3.54Å; M38-Y83 HydrophobicContact SD-CD2 4.35Å; M38-Y83 PolarHBondContact SD-N 3.41Å; M38-Y83 VanDerWaalsContact SD-N 3.39Å
39	G	82.6	Confident	85.9	Confident	27 Å²	27	77 Å²	77	28%	0.278	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	6.3	179.9	0	0	0	0	0	115.5	S6 L35 E36 E37	S6-G39 WeakPolarHBondContact O-CA 3.35Å; L35-G39 PolarHBondContact O-N 3.4Å; E36-G39 PolarHBondContact O-N 3.23Å; E37-G39 VanDerWaalsContact C-N 3.27Å; E37-G39 PolarHBondContact O-N 3.46Å
40	A	87.1	Confident	86	Confident	5 Å²	5	69.2 Å²	69.2	4%	0.041	34%	0.339	C	S	.	.			trans	-72.2	144	174.8	0	0	0	0	0	111.4	L9 V12 L35 V42	L9-A40 HydrophobicContact CB-CB 3.76Å; L9-A40 HydrophobicContact CD1-CB 4.36Å; L9-A40 WeakPolarHBondContact O-CA 3.17Å; V12-A40 HydrophobicContact CB-CB 4.17Å; V12-A40 HydrophobicContact CG1-CB 4.23Å; L35-A40 HydrophobicContact CB-CB 4.11Å; L35-A40 HydrophobicContact CD2-CB 4.34Å; L35-A40 VanDerWaalsContact O-CB 3.27Å; L35-A40 WeakPolarHBondContact O-CB 3.47Å; L35-A40 PolarHBondContact O-N 2.92Å; A40-V42 PolarHBondContact O-N 2.78Å
41	R	87.2	Confident	86	Confident	179 Å²	179	69 Å²	69	68%	0.675	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	95.7	176.9	-173.3	178.3	-61.3	178.4	3.9	110.4	V12 V13 A14	V12-R41 PolarHBondContact O-N 3.22Å; V13-R41 VanDerWaalsContact CA-O 3.27Å; V13-R41 WeakPolarHBondContact CA-O 3.46Å; V13-R41 WeakPolarHBondContact CG1-O 3.14Å; V13-R41 HydrophobicContact CG2-CB 4.38Å; A14-R41 PolarHBondContact N-O 3Å; A14-R41 VanDerWaalsContact N-O 3.16Å
42	V	88.9	Confident	86.1	Confident	24 Å²	24	67.3 Å²	67.3	15%	0.145	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.2	179.2	-174.5	0	0	0	0	111.4	A14 V16 I32 L35 E36 A40	A14-V42 HydrophobicContact CB-CG2 4.45Å; A14-V42 WeakPolarHBondContact O-CA 3.35Å; V16-V42 HydrophobicContact CG2-CG1 4.44Å; I32-V42 HydrophobicContact CB-CG1 4.35Å; I32-V42 HydrophobicContact CG1-CG1 4.01Å; I32-V42 HydrophobicContact CG2-CB 4.19Å; I32-V42 HydrophobicContact CG2-CG1 3.88Å; I32-V42 HydrophobicContact CG2-CG2 4.3Å; L35-V42 HydrophobicContact CB-CG2 3.65Å; L35-V42 HydrophobicContact CD1-CG2 4.33Å; E36-V42 HydrophobicContact CG-CB 4.17Å; E36-V42 HydrophobicContact CG-CG2 3.75Å; A40-V42 PolarHBondContact O-N 2.78Å
43	S	87.2	Confident	86.1	Confident	31 Å²	31	65.1 Å²	65.1	22%	0.217	32%	0.318	C	S	.	.			trans	-100.9	137.9	174.9	-153.7	0	0	0	0	111.2	A14 Y15 G45	A14-S43 PolarHBondContact O-N 3.06Å; Y15-S43 WeakPolarHBondContact CD2-O 3.33Å; S43-G45 WeakPolarHBondContact CB-O 3.27Å; S43-G45 PolarHBondContact O-N 2.86Å; S43-G45 PolarHBondContact OG-O 3.04Å
44	K	82.2	Confident	86.2	Confident	218 Å²	218	59.7 Å²	59.7	95%	0.948	29%	0.292	S	S	*	.	S	Bend	trans	-73	-5.1	176.8	-64.2	-179.6	-179.8	176.7	0	113.6
45	G	84.1	Confident	86.3	Confident	29 Å²	29	57.4 Å²	57.4	30%	0.299	28%	0.282	S	S	.	.	S	Bend	trans	-160.7	163	179.5	0	0	0	0	0	112.3	Y15 S43 N47	Y15-G45 VanDerWaalsContact CE2-CA 3.45Å; S43-G45 WeakPolarHBondContact CB-O 3.27Å; S43-G45 PolarHBondContact O-N 2.86Å; S43-G45 PolarHBondContact OG-O 3.04Å; G45-N47 VanDerWaalsContact C-N 3.3Å; G45-N47 PolarHBondContact O-N 2.83Å
46	F	84.9	Confident	86.2	Confident	29 Å²	29	59.1 Å²	59.1	13%	0.127	29%	0.294	C	S	.	.			trans	-74.7	74.3	-176.3	-170.6	-103.1	0	0	0	113.7	Y15 V50 V53 K65 A66 R69 V71	Y15-F46 HydrophobicContact CD1-CB 4.16Å; Y15-F46 HydrophobicContact CD1-CD2 4.14Å; Y15-F46 HydrophobicContact CE1-CB 4.24Å; F46-V50 HydrophobicContact CD2-CB 4.3Å; F46-V50 HydrophobicContact CD2-CG1 4.14Å; F46-V50 HydrophobicContact CD2-CG2 4.48Å; F46-V50 HydrophobicContact CE2-CB 4.24Å; F46-V50 HydrophobicContact CE2-CG1 4.05Å; F46-V53 HydrophobicContact CD2-CG2 3.94Å; F46-V53 HydrophobicContact CE2-CG2 3.59Å; F46-K65 HydrophobicContact CD1-CB 3.67Å; F46-K65 HydrophobicContact CD1-CD 4.03Å; F46-K65 HydrophobicContact CD1-CG 4.38Å; F46-K65 HydrophobicContact CE1-CB 3.52Å; F46-K65 HydrophobicContact CZ-CB 4.3Å; F46-A66 HydrophobicContact CE2-CB 4.38Å; F46-A66 HydrophobicContact CZ-CB 4.41Å; F46-R69 VanDerWaalsContact CD1-NH1 3.27Å; F46-R69 HydrophobicContact CE1-CG 4.36Å; F46-R69 HydrophobicContact CZ-CB 4.42Å; F46-R69 PolarHBondContact O-NH1 3.35Å; F46-V71 HydrophobicContact CE2-CG1 4.4Å; F46-V71 HydrophobicContact CE2-CG2 4.33Å; F46-V71 HydrophobicContact CZ-CG2 4.01Å
47	N	84.5	Confident	85.8	Confident	81 Å²	81	59 Å²	59	43%	0.433	29%	0.289	S	S	.	.			trans	-75.7	171.8	178.4	-159.8	-1	0	0	0	112.4	G45 Q49 V50 R69	G45-N47 VanDerWaalsContact C-N 3.3Å; G45-N47 PolarHBondContact O-N 2.83Å; N47-Q49 PolarHBondContact O-N 3.06Å; N47-V50 HydrophobicContact CB-CG2 4.41Å; N47-R69 VanDerWaalsContact C-NH1 3.33Å; N47-R69 PolarHBondContact O-NH1 2.89Å
48	K	83.6	Confident	85.6	Confident	181 Å²	181	55.1 Å²	55.1	79%	0.787	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.6	174.3	-67.8	-175.3	179.8	-179.1	0	113.7
49	Q	82.1	Confident	85.6	Confident	130 Å²	130	59.2 Å²	59.2	61%	0.607	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.1	-177.9	-70.5	173.1	-25.2	0	0	113.8	V13 N47 T51	V13-Q49 WeakPolarHBondContact CB-O 3.46Å; V13-Q49 HydrophobicContact CG1-CB 4.48Å; V13-Q49 WeakPolarHBondContact CG1-O 3.04Å; N47-Q49 PolarHBondContact O-N 3.06Å; Q49-T51 PolarHBondContact O-N 3.17Å
50	V	88.8	Confident	85.6	Confident	6 Å²	6	59.8 Å²	59.8	4%	0.036	29%	0.286	C	S	.	.			trans	-71.8	118.6	-176.8	177.3	0	0	0	0	109.7	V13 F46 N47 H52 V53 V71	V13-V50 CarbonylContact O-C 3.57Å; V13-V50 WeakPolarHBondContact O-CA 3.31Å; F46-V50 HydrophobicContact CD2-CB 4.3Å; F46-V50 HydrophobicContact CD2-CG1 4.14Å; F46-V50 HydrophobicContact CD2-CG2 4.48Å; F46-V50 HydrophobicContact CE2-CB 4.24Å; F46-V50 HydrophobicContact CE2-CG1 4.05Å; N47-V50 HydrophobicContact CB-CG2 4.41Å; V50-H52 WeakPolarHBondContact CG1-O 3.5Å; V50-V53 HydrophobicContact CG1-CG2 4.02Å; V50-V71 HydrophobicContact CG1-CG1 4.21Å; V50-V71 WeakPolarHBondContact O-CG1 3.49Å
51	T	86.8	Confident	85.4	Confident	57 Å²	57	62.3 Å²	62.3	35%	0.35	31%	0.306	S	S	.	.			trans	-96.6	-23.1	178.1	58.3	0	0	0	0	112.9	V13 Q49 V71 Q72	V13-T51 PolarHBondContact N-OG1 3.45Å; V13-T51 PolarHBondContact O-N 3.12Å; Q49-T51 PolarHBondContact O-N 3.17Å; T51-V71 VanDerWaalsContact C-CG1 3.46Å; T51-V71 WeakPolarHBondContact O-CG1 3.46Å; T51-Q72 PolarHBondContact O-N 3.28Å
52	H	88.6	Confident	85.4	Confident	9 Å²	9	54.2 Å²	54.2	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141	-179.5	-63.6	69.9	0	0	0	111.3	V12 V13 A14 Y15 V50 Q72 R88 E91	V12-H52 HydrophobicContact CG1-CB 3.99Å; V13-H52 PolarHBondContact O-N 3.48Å; V13-H52 VanDerWaalsContact O-N 3.17Å; A14-H52 CarbonylContact C-O 3.6Å; A14-H52 WeakPolarHBondContact CA-O 3.44Å; Y15-H52 PolarHBondContact N-O 2.92Å; V50-H52 WeakPolarHBondContact CG1-O 3.5Å; H52-Q72 CarbonylContact C-O 3.5Å; H52-Q72 WeakPolarHBondContact CA-O 3.23Å; H52-R88 PolarHBondContact CE1-NH2 3.08Å; H52-R88 PolarHBondContact NE2-NH2 3.44Å; H52-E91 IonicContact CD2-OE1 2.74Å; H52-E91 IonicContact NE2-OE1 2.79Å; H52-E91 PolarHBondContact NE2-OE1 3.3Å
53	V	90.6	Very high	85.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	114	173	175.7	0	0	0	0	109.2	Y15 F46 V50 F55 T62 A66 V71 Q72 L73 V74	Y15-V53 HydrophobicContact CD1-CG1 4.48Å; Y15-V53 CarbonylContact O-C 3.49Å; Y15-V53 VanDerWaalsContact O-CA 3.32Å; Y15-V53 WeakPolarHBondContact O-CA 3.39Å; F46-V53 HydrophobicContact CD2-CG2 3.94Å; F46-V53 HydrophobicContact CE2-CG2 3.59Å; V50-V53 HydrophobicContact CG1-CG2 4.02Å; V53-F55 HydrophobicContact CG1-CB 4.37Å; V53-T62 HydrophobicContact CG1-CG2 3.87Å; V53-A66 HydrophobicContact CB-CB 4.44Å; V53-A66 HydrophobicContact CG2-CB 4.03Å; V53-V71 HydrophobicContact CG2-CG1 3.84Å; V53-Q72 PolarHBondContact N-O 3.23Å; V53-L73 HydrophobicContact CB-CD1 3.83Å; V53-L73 HydrophobicContact CG1-CD1 3.78Å; V53-V74 PolarHBondContact O-N 3.12Å
54	V	89.4	Confident	85.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.7	171.4	-177.7	0	0	0	0	108	Y15 V16 D17 V18 L35 V74 V76 V79	Y15-V54 PolarHBondContact O-N 2.88Å; V16-V54 HydrophobicContact CG1-CB 4.38Å; V16-V54 HydrophobicContact CG2-CB 4.37Å; D17-V54 PolarHBondContact N-O 2.88Å; V18-V54 HydrophobicContact CG2-CG1 3.96Å; L35-V54 HydrophobicContact CD1-CG2 4.17Å; V54-V74 WeakPolarHBondContact CA-O 3.47Å; V54-V76 HydrophobicContact CG1-CG2 4.13Å; V54-V79 HydrophobicContact CB-CG2 4.44Å; V54-V79 HydrophobicContact CG1-CG2 3.83Å; V54-V79 HydrophobicContact CG2-CG2 3.72Å
55	F	89.6	Confident	85.3	Confident	5 Å²	5	54.1 Å²	54.1	2%	0.022	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.6	-172.3	-176.8	-89.7	0	0	0	112	D17 V53 W63 L73 V74 A96	D17-F55 HydrophobicContact CB-CD2 4.43Å; V53-F55 HydrophobicContact CG1-CB 4.37Å; F55-W63 AromaticContact CD1-CE3 3.65Å; F55-W63 HydrophobicContact CD1-CE3 3.65Å; F55-W63 AromaticContact CD1-CZ3 3.85Å; F55-W63 HydrophobicContact CD1-CZ3 3.85Å; F55-W63 HydrophobicContact CD2-CE3 4.44Å; F55-W63 AromaticContact CE1-CE3 3.62Å; F55-W63 HydrophobicContact CE1-CE3 3.62Å; F55-W63 HydrophobicContact CE1-CZ3 4.04Å; F55-W63 HydrophobicContact CE2-CB 4.25Å; F55-W63 HydrophobicContact CE2-CE3 4.4Å; F55-W63 HydrophobicContact CG-CE3 4.07Å; F55-W63 HydrophobicContact CZ-CB 4.41Å; F55-W63 HydrophobicContact CZ-CE3 4.01Å; F55-L73 HydrophobicContact CB-CD1 4.28Å; F55-V74 PolarHBondContact N-O 2.83Å; F55-A96 HydrophobicContact CB-CB 3.97Å; F55-A96 HydrophobicContact CD1-CB 4.28Å
56	S	85.2	Confident	85.5	Confident	35 Å²	35	52.7 Å²	52.7	25%	0.245	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	119.1	166.5	179	0	0	0	0	109.1	D17 V18 W19 G58	D17-S56 PolarHBondContact O-N 3.4Å; V18-S56 WeakPolarHBondContact CA-O 3.32Å; W19-S56 PolarHBondContact N-O 2.82Å; S56-G58 PolarHBondContact O-N 2.98Å
57	Y	79.5	Confident	85.6	Confident	109 Å²	109	57.5 Å²	57.5	43%	0.427	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	49.7	13.3	-174.7	-53.7	-70.3	0	0	0	116.6	K23	K23-Y57 VanDerWaalsContact CD-O 3.31Å; K23-Y57 WeakPolarHBondContact CD-O 3.46Å; K23-Y57 WeakPolarHBondContact CE-O 2.94Å; K23-Y57 PolarHBondContact NZ-O 2.81Å
58	G	82.1	Confident	85.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.295	C	S	.	.			trans	-70.3	-161.7	-171.3	0	0	0	0	0	116.2	K23 S56	K23-G58 PolarHBondContact NZ-O 3.03Å; S56-G58 PolarHBondContact O-N 2.98Å
59	H	81.9	Confident	85.8	Confident	89 Å²	89	59.8 Å²	59.8	41%	0.412	28%	0.279	S	S	.	.			trans	-77.6	128.9	-176.1	-69.8	-61.8	0	0	0	112	D17 W19 A61 T62 W63	D17-H59 IonicContact OD1-CD2 3.47Å; D17-H59 PolarHBondContact OD2-N 2.89Å; W19-H59 AromaticContact CE2-NE2 3.73Å; W19-H59 AromaticContact CH2-NE2 3.89Å; W19-H59 AromaticContact CZ2-CD2 3.95Å; W19-H59 AromaticContact CZ2-NE2 3.23Å; W19-H59 WeakPolarHBondContact CZ2-NE2 3.43Å; W19-H59 AromaticContact NE1-CD2 3.96Å; H59-A61 PolarHBondContact O-N 3.17Å; H59-T62 WeakPolarHBondContact O-CA 3.41Å; H59-T62 VanDerWaalsContact O-CB 3.26Å; H59-T62 WeakPolarHBondContact O-CB 3.48Å; H59-T62 PolarHBondContact O-N 3.33Å; H59-W63 PolarHBondContact O-N 2.88Å
60	Q	82.8	Confident	85.9	Confident	39 Å²	39	61 Å²	61	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-15.3	-179.5	-170.2	56.4	-6.5	0	0	113.6	W63 K64 E100	Q60-W63 VanDerWaalsContact OE1-CB 3.25Å; Q60-K64 HydrophobicContact CG-CD 4.36Å; Q60-K64 WeakPolarHBondContact O-CB 3.42Å; Q60-K64 WeakPolarHBondContact O-CG 3.19Å; Q60-K64 PolarHBondContact O-N 3.33Å; Q60-E100 VanDerWaalsContact NE2-CD 3.29Å; Q60-E100 PolarHBondContact NE2-OE1 3.18Å; Q60-E100 PolarHBondContact NE2-OE2 3.31Å
61	A	84.4	Confident	85.8	Confident	57 Å²	57	61.6 Å²	61.6	47%	0.471	29%	0.293	S	S	.	.	H	α-helix	trans	-68.2	-35.7	167.2	0	0	0	0	0	112.6	H59 K65	H59-A61 PolarHBondContact O-N 3.17Å; A61-K65 WeakPolarHBondContact O-CB 3.31Å; A61-K65 VanDerWaalsContact O-CD 3.31Å; A61-K65 WeakPolarHBondContact O-CD 3.27Å; A61-K65 WeakPolarHBondContact O-CG 3.45Å; A61-K65 PolarHBondContact O-N 2.8Å; A61-K65 VanDerWaalsContact O-N 3.12Å
62	T	85.9	Confident	85.8	Confident	9 Å²	9	63.6 Å²	63.6	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-67.3	-52.9	174.9	-53.4	0	0	0	0	110.2	Y15 D17 V53 H59 K64 K65 A66	Y15-T62 HydrophobicContact CD1-CG2 3.77Å; Y15-T62 HydrophobicContact CE1-CG2 3.56Å; D17-T62 HydrophobicContact CB-CG2 4.06Å; D17-T62 WeakPolarHBondContact OD2-CB 3.36Å; D17-T62 PolarHBondContact OD2-OG1 3.32Å; V53-T62 HydrophobicContact CG1-CG2 3.87Å; H59-T62 WeakPolarHBondContact O-CA 3.41Å; H59-T62 VanDerWaalsContact O-CB 3.26Å; H59-T62 WeakPolarHBondContact O-CB 3.48Å; H59-T62 PolarHBondContact O-N 3.33Å; T62-K64 VanDerWaalsContact C-N 3.34Å; T62-K64 PolarHBondContact O-N 3.03Å; T62-K65 CarbonylContact O-C 3.59Å; T62-K65 PolarHBondContact O-N 2.91Å; T62-A66 PolarHBondContact O-N 3.07Å
63	W	84.8	Confident	85.8	Confident	27 Å²	27	64.4 Å²	64.4	10%	0.102	30%	0.303	C	S	.	.	H	α-helix	trans	-51.7	-49.6	178.1	-179	-85.6	0	0	0	112.4	F55 H59 Q60 K65 A66 K67 L73 A96 N98	F55-W63 AromaticContact CD1-CE3 3.65Å; F55-W63 HydrophobicContact CD1-CE3 3.65Å; F55-W63 AromaticContact CD1-CZ3 3.85Å; F55-W63 HydrophobicContact CD1-CZ3 3.85Å; F55-W63 HydrophobicContact CD2-CE3 4.44Å; F55-W63 AromaticContact CE1-CE3 3.62Å; F55-W63 HydrophobicContact CE1-CE3 3.62Å; F55-W63 HydrophobicContact CE1-CZ3 4.04Å; F55-W63 HydrophobicContact CE2-CB 4.25Å; F55-W63 HydrophobicContact CE2-CE3 4.4Å; F55-W63 HydrophobicContact CG-CE3 4.07Å; F55-W63 HydrophobicContact CZ-CB 4.41Å; F55-W63 HydrophobicContact CZ-CE3 4.01Å; H59-W63 PolarHBondContact O-N 2.88Å; Q60-W63 VanDerWaalsContact OE1-CB 3.25Å; W63-K65 PolarHBondContact O-N 3.01Å; W63-A66 PolarHBondContact O-N 2.79Å; W63-K67 PolarHBondContact O-N 2.86Å; W63-L73 HydrophobicContact CD2-CD2 3.83Å; W63-L73 HydrophobicContact CE3-CD1 4.38Å; W63-L73 HydrophobicContact CE3-CD2 3.65Å; W63-L73 HydrophobicContact CE3-CG 4.24Å; W63-L73 HydrophobicContact CH2-CD2 3.77Å; W63-L73 HydrophobicContact CZ2-CD2 3.97Å; W63-L73 HydrophobicContact CZ3-CD2 3.62Å; W63-L73 HydrophobicContact CZ3-CG 4.09Å; W63-A96 HydrophobicContact CH2-CB 4.49Å; W63-A96 VanDerWaalsContact CH2-O 3.32Å; W63-A96 WeakPolarHBondContact CH2-O 3.41Å; W63-A96 HydrophobicContact CZ3-CB 3.81Å; W63-N98 HydrophobicContact CD2-CB 3.93Å; W63-N98 HydrophobicContact CE3-CB 3.87Å; W63-N98 HydrophobicContact CH2-CB 3.38Å; W63-N98 HydrophobicContact CZ2-CB 3.4Å; W63-N98 VanDerWaalsContact CZ2-CB 3.4Å; W63-N98 HydrophobicContact CZ3-CB 3.6Å
64	K	84.9	Confident	85.8	Confident	132 Å²	132	64.4 Å²	64.4	57%	0.574	30%	0.303	S	S	*	.	H	α-helix	trans	-66.9	-33	178.2	-71.2	177.1	178.5	178.5	0	113.1	Q60 T62 K68	Q60-K64 HydrophobicContact CG-CD 4.36Å; Q60-K64 WeakPolarHBondContact O-CB 3.42Å; Q60-K64 WeakPolarHBondContact O-CG 3.19Å; Q60-K64 PolarHBondContact O-N 3.33Å; T62-K64 VanDerWaalsContact C-N 3.34Å; T62-K64 PolarHBondContact O-N 3.03Å; K64-K68 VanDerWaalsContact O-CB 3.26Å; K64-K68 WeakPolarHBondContact O-CB 3.35Å; K64-K68 PolarHBondContact O-N 2.87Å; K64-K68 VanDerWaalsContact O-N 3.11Å
65	K	87.2	Confident	85.7	Confident	112 Å²	112	65.3 Å²	65.3	49%	0.487	31%	0.31	S	S	.	.	H	α-helix	trans	-72.8	-38.1	175.1	-75.8	169.4	-175.2	176.6	0	112.6	F46 A61 T62 W63 K68 R69	F46-K65 HydrophobicContact CD1-CB 3.67Å; F46-K65 HydrophobicContact CD1-CD 4.03Å; F46-K65 HydrophobicContact CD1-CG 4.38Å; F46-K65 HydrophobicContact CE1-CB 3.52Å; F46-K65 HydrophobicContact CZ-CB 4.3Å; A61-K65 WeakPolarHBondContact O-CB 3.31Å; A61-K65 VanDerWaalsContact O-CD 3.31Å; A61-K65 WeakPolarHBondContact O-CD 3.27Å; A61-K65 WeakPolarHBondContact O-CG 3.45Å; A61-K65 PolarHBondContact O-N 2.8Å; A61-K65 VanDerWaalsContact O-N 3.12Å; T62-K65 CarbonylContact O-C 3.59Å; T62-K65 PolarHBondContact O-N 2.91Å; W63-K65 PolarHBondContact O-N 3.01Å; K65-K68 PolarHBondContact O-N 2.92Å; K65-R69 PolarHBondContact O-N 3.28Å
66	A	88	Confident	85.5	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-53.4	176.2	0	0	0	0	0	110.7	F46 V53 T62 W63 K68 R69 D70 V71 L73	F46-A66 HydrophobicContact CE2-CB 4.38Å; F46-A66 HydrophobicContact CZ-CB 4.41Å; V53-A66 HydrophobicContact CB-CB 4.44Å; V53-A66 HydrophobicContact CG2-CB 4.03Å; T62-A66 PolarHBondContact O-N 3.07Å; W63-A66 PolarHBondContact O-N 2.79Å; A66-K68 VanDerWaalsContact C-N 3.3Å; A66-K68 PolarHBondContact O-N 2.87Å; A66-R69 CarbonylContact O-C 3.59Å; A66-R69 PolarHBondContact O-N 2.62Å; A66-D70 PolarHBondContact O-N 3.22Å; A66-V71 HydrophobicContact CB-CB 4.41Å; A66-V71 PolarHBondContact O-N 3.23Å; A66-V71 VanDerWaalsContact O-N 3.13Å; A66-L73 HydrophobicContact CB-CD1 3.86Å
67	K	86.1	Confident	85.5	Confident	130 Å²	130	70.9 Å²	70.9	57%	0.565	34%	0.337	S	S	*	.	H	α-helix	trans	-60	-34.6	175.2	-70	-153.8	170.6	-153.9	0	113.7	W63 R69 D70 L73	W63-K67 PolarHBondContact O-N 2.86Å; K67-R69 VanDerWaalsContact C-N 3.26Å; K67-R69 PolarHBondContact O-N 2.74Å; K67-D70 PolarHBondContact O-N 2.81Å; K67-L73 HydrophobicContact CG-CD2 4.09Å
68	K	87	Confident	86	Confident	190 Å²	190	65.7 Å²	65.7	83%	0.826	32%	0.317	S	S	*	.	H	α-helix	trans	-73.1	-14.1	175.9	-177.2	163.5	-179.2	172.2	0	113.8	K64 K65 A66	K64-K68 VanDerWaalsContact O-CB 3.26Å; K64-K68 WeakPolarHBondContact O-CB 3.35Å; K64-K68 PolarHBondContact O-N 2.87Å; K64-K68 VanDerWaalsContact O-N 3.11Å; K65-K68 PolarHBondContact O-N 2.92Å; A66-K68 VanDerWaalsContact C-N 3.3Å; A66-K68 PolarHBondContact O-N 2.87Å
69	R	85.4	Confident	86.1	Confident	119 Å²	119	65.7 Å²	65.7	45%	0.449	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	7.1	175.8	-71.1	-167.7	-174.2	150.5	2.8	113.3	F46 N47 K65 A66 K67 V71	F46-R69 VanDerWaalsContact CD1-NH1 3.27Å; F46-R69 HydrophobicContact CE1-CG 4.36Å; F46-R69 HydrophobicContact CZ-CB 4.42Å; F46-R69 PolarHBondContact O-NH1 3.35Å; N47-R69 VanDerWaalsContact C-NH1 3.33Å; N47-R69 PolarHBondContact O-NH1 2.89Å; K65-R69 PolarHBondContact O-N 3.28Å; A66-R69 CarbonylContact O-C 3.59Å; A66-R69 PolarHBondContact O-N 2.62Å; K67-R69 VanDerWaalsContact C-N 3.26Å; K67-R69 PolarHBondContact O-N 2.74Å; R69-V71 HydrophobicContact CB-CG2 3.65Å; R69-V71 PolarHBondContact O-N 2.77Å
70	D	84.3	Confident	86.2	Confident	156 Å²	156	62.5 Å²	62.5	83%	0.834	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	43.6	-174.3	-146.5	33.1	0	0	0	113.8	A66 K67	A66-D70 PolarHBondContact O-N 3.22Å; K67-D70 PolarHBondContact O-N 2.81Å
71	V	87.7	Confident	86.3	Confident	18 Å²	18	66.3 Å²	66.3	11%	0.109	32%	0.321	C	S	.	.			trans	-88.9	133.7	-178.9	179.3	0	0	0	0	109.6	F46 V50 T51 V53 A66 R69 L73	F46-V71 HydrophobicContact CE2-CG1 4.4Å; F46-V71 HydrophobicContact CE2-CG2 4.33Å; F46-V71 HydrophobicContact CZ-CG2 4.01Å; V50-V71 HydrophobicContact CG1-CG1 4.21Å; V50-V71 WeakPolarHBondContact O-CG1 3.49Å; T51-V71 VanDerWaalsContact C-CG1 3.46Å; T51-V71 WeakPolarHBondContact O-CG1 3.46Å; V53-V71 HydrophobicContact CG2-CG1 3.84Å; A66-V71 HydrophobicContact CB-CB 4.41Å; A66-V71 PolarHBondContact O-N 3.23Å; A66-V71 VanDerWaalsContact O-N 3.13Å; R69-V71 HydrophobicContact CB-CG2 3.65Å; R69-V71 PolarHBondContact O-N 2.77Å; V71-L73 PolarHBondContact O-N 3.19Å
72	Q	86.6	Confident	86.3	Confident	100 Å²	100	63.6 Å²	63.6	47%	0.467	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	129.3	-177.8	-71.6	-63.8	-1.6	0	0	111.1	T51 H52 V53 V74 E91	T51-Q72 PolarHBondContact O-N 3.28Å; H52-Q72 CarbonylContact C-O 3.5Å; H52-Q72 WeakPolarHBondContact CA-O 3.23Å; V53-Q72 PolarHBondContact N-O 3.23Å; Q72-V74 HydrophobicContact CB-CG2 4.27Å; Q72-E91 HydrophobicContact CB-CG 4.3Å; Q72-E91 HydrophobicContact CG-CG 4.4Å
73	L	88.3	Confident	86.2	Confident	25 Å²	25	66.3 Å²	66.3	13%	0.131	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	96.5	-161.9	-170.5	63.5	0	0	0	110.2	V53 F55 W63 A66 K67 V71 A96	V53-L73 HydrophobicContact CB-CD1 3.83Å; V53-L73 HydrophobicContact CG1-CD1 3.78Å; F55-L73 HydrophobicContact CB-CD1 4.28Å; W63-L73 HydrophobicContact CD2-CD2 3.83Å; W63-L73 HydrophobicContact CE3-CD1 4.38Å; W63-L73 HydrophobicContact CE3-CD2 3.65Å; W63-L73 HydrophobicContact CE3-CG 4.24Å; W63-L73 HydrophobicContact CH2-CD2 3.77Å; W63-L73 HydrophobicContact CZ2-CD2 3.97Å; W63-L73 HydrophobicContact CZ3-CD2 3.62Å; W63-L73 HydrophobicContact CZ3-CG 4.09Å; A66-L73 HydrophobicContact CB-CD1 3.86Å; K67-L73 HydrophobicContact CG-CD2 4.09Å; V71-L73 PolarHBondContact O-N 3.19Å; L73-A96 HydrophobicContact CG-CB 4.08Å; L73-A96 PolarHBondContact O-N 3.46Å
74	V	90.1	Very high	86	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145	-154.5	-155.2	0	0	0	0	111.1	V53 V54 F55 Q72 W78 E91 F94	V53-V74 PolarHBondContact O-N 3.12Å; V54-V74 WeakPolarHBondContact CA-O 3.47Å; F55-V74 PolarHBondContact N-O 2.83Å; Q72-V74 HydrophobicContact CB-CG2 4.27Å; V74-W78 HydrophobicContact CG1-CB 3.35Å; V74-W78 HydrophobicContact CG1-CD2 3.89Å; V74-W78 HydrophobicContact CG1-CE3 4.46Å; V74-W78 HydrophobicContact CG1-CG 3.41Å; V74-W78 VanDerWaalsContact CG1-CG 3.41Å; V74-E91 HydrophobicContact CG2-CB 4.14Å; V74-E91 HydrophobicContact CG2-CG 4.03Å; V74-F94 HydrophobicContact CG1-CB 4.11Å; V74-F94 WeakPolarHBondContact CG1-O 3.42Å
75	S	88.1	Confident	85.6	Confident	20 Å²	20	68.7 Å²	68.7	14%	0.14	33%	0.329	C	S	.	.			trans	-76.7	162.9	178.1	69.8	0	0	0	0	112.3	L77 W78 F94	S75-L77 PolarHBondContact O-N 3.29Å; S75-W78 WeakPolarHBondContact O-CB 3.29Å; S75-W78 PolarHBondContact O-N 2.82Å; S75-F94 WeakPolarHBondContact CB-O 3.33Å; S75-F94 PolarHBondContact N-O 3.43Å; S75-F94 PolarHBondContact OG-O 3.32Å
76	V	86.1	Confident	85	Confident	33 Å²	33	64.8 Å²	64.8	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-58	-28.7	175.7	172.3	0	0	0	0	112.8	V18 F31 V54 W78 V79 G80	V18-V76 HydrophobicContact CB-CG2 4.45Å; V18-V76 HydrophobicContact CG1-CG2 3.88Å; V18-V76 HydrophobicContact CG2-CG2 3.63Å; F31-V76 HydrophobicContact CD1-CG1 3.91Å; F31-V76 HydrophobicContact CE1-CG1 3.37Å; F31-V76 HydrophobicContact CE2-CG1 4.06Å; F31-V76 HydrophobicContact CG-CG1 4.47Å; F31-V76 HydrophobicContact CZ-CG1 3.45Å; F31-V76 VanDerWaalsContact CZ-CG1 3.45Å; V54-V76 HydrophobicContact CG1-CG2 4.13Å; V76-W78 PolarHBondContact O-N 3.03Å; V76-V79 PolarHBondContact O-N 3.16Å; V76-V79 VanDerWaalsContact O-N 3.12Å; V76-G80 PolarHBondContact O-N 2.97Å
77	L	84.4	Confident	84.7	Confident	123 Å²	123	69.5 Å²	69.5	64%	0.644	35%	0.349	S	S	*	.	H	α-helix	trans	-64.1	-27.8	-178.8	-60.3	178	0	0	0	113.1	S75 G80 R81 F94	S75-L77 PolarHBondContact O-N 3.29Å; L77-G80 PolarHBondContact O-N 3.45Å; L77-R81 PolarHBondContact O-N 2.73Å; L77-F94 HydrophobicContact CB-CD1 3.93Å; L77-F94 HydrophobicContact CB-CE1 4.35Å
78	W	89.1	Confident	84.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.9	-38.1	174	-179.7	88.4	0	0	0	112.4	L9 V12 L35 V74 S75 V76 G80 R81 C82 R88 A89 E91 F94	L9-W78 HydrophobicContact CD1-CH2 4.16Å; L9-W78 HydrophobicContact CD1-CZ3 4.32Å; L9-W78 HydrophobicContact CD2-CH2 3.98Å; L9-W78 HydrophobicContact CD2-CZ2 4.22Å; V12-W78 HydrophobicContact CG1-CH2 4.41Å; L35-W78 HydrophobicContact CD2-CZ3 4.04Å; V74-W78 HydrophobicContact CG1-CB 3.35Å; V74-W78 HydrophobicContact CG1-CD2 3.89Å; V74-W78 HydrophobicContact CG1-CE3 4.46Å; V74-W78 HydrophobicContact CG1-CG 3.41Å; V74-W78 VanDerWaalsContact CG1-CG 3.41Å; S75-W78 WeakPolarHBondContact O-CB 3.29Å; S75-W78 PolarHBondContact O-N 2.82Å; V76-W78 PolarHBondContact O-N 3.03Å; W78-G80 VanDerWaalsContact C-N 3.34Å; W78-G80 PolarHBondContact O-N 3.14Å; W78-R81 PolarHBondContact O-N 3.06Å; W78-C82 VanDerWaalsContact CE2-SG 3.57Å; W78-C82 WeakPolarHBondContact O-CB 3.36Å; W78-C82 PolarHBondContact O-N 3.43Å; W78-C82 PolarHBondContact O-SG 3.41Å; W78-R88 HydrophobicContact CZ2-CG 4.36Å; W78-A89 PolarHBondContact NE1-O 3.08Å; W78-E91 HydrophobicContact CZ2-CG 4.26Å; W78-F94 HydrophobicContact CB-CB 3.76Å; W78-F94 HydrophobicContact CB-CD2 4.42Å; W78-F94 HydrophobicContact CB-CG 4.15Å; W78-F94 HydrophobicContact CG-CB 4.47Å
79	V	85.7	Confident	84	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-42.6	177.9	-174.8	0	0	0	0	110.2	F31 Q34 L35 M38 V54 V76 Y83	F31-V79 HydrophobicContact CB-CG1 4.5Å; F31-V79 HydrophobicContact CD1-CG1 4.38Å; Q34-V79 HydrophobicContact CB-CG1 4.06Å; L35-V79 HydrophobicContact CD1-CG2 4.44Å; L35-V79 HydrophobicContact CD2-CG1 4.18Å; L35-V79 HydrophobicContact CD2-CG2 4.32Å; L35-V79 HydrophobicContact CG-CG1 4.01Å; L35-V79 HydrophobicContact CG-CG2 4.46Å; M38-V79 HydrophobicContact CE-CG1 3.96Å; V54-V79 HydrophobicContact CB-CG2 4.44Å; V54-V79 HydrophobicContact CG1-CG2 3.83Å; V54-V79 HydrophobicContact CG2-CG2 3.72Å; V76-V79 PolarHBondContact O-N 3.16Å; V76-V79 VanDerWaalsContact O-N 3.12Å; V79-Y83 VanDerWaalsContact O-CB 3.31Å; V79-Y83 WeakPolarHBondContact O-CB 3.18Å; V79-Y83 PolarHBondContact O-N 3.49Å; V79-Y83 VanDerWaalsContact O-N 3.14Å
80	G	83.4	Confident	83.7	Confident	23 Å²	23	58.5 Å²	58.5	24%	0.237	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-50.6	172.2	0	0	0	0	0	111.8	V76 L77 W78 C82 Y83 D84	V76-G80 PolarHBondContact O-N 2.97Å; L77-G80 PolarHBondContact O-N 3.45Å; W78-G80 VanDerWaalsContact C-N 3.34Å; W78-G80 PolarHBondContact O-N 3.14Å; G80-C82 PolarHBondContact O-N 2.88Å; G80-Y83 CarbonylContact O-C 3.55Å; G80-Y83 WeakPolarHBondContact O-CA 3.32Å; G80-Y83 WeakPolarHBondContact O-CB 3.16Å; G80-Y83 PolarHBondContact O-N 3.31Å; G80-D84 WeakPolarHBondContact O-CB 3.35Å; G80-D84 VanDerWaalsContact O-CG 3.26Å; G80-D84 PolarHBondContact O-N 2.87Å
81	R	84.3	Confident	83.6	Confident	119 Å²	119	52.2 Å²	52.2	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-58.5	-46.9	179.4	-85.9	-75.2	-178.1	-172.2	-1.5	114	L77 W78 Y83 D84 D85 A89 F94	L77-R81 PolarHBondContact O-N 2.73Å; W78-R81 PolarHBondContact O-N 3.06Å; R81-Y83 PolarHBondContact O-N 3.41Å; R81-D84 PolarHBondContact O-N 2.95Å; R81-D85 WeakPolarHBondContact CD-OD2 3.45Å; R81-D85 IonicContact CZ-OD2 3.86Å; R81-D85 IonicContact NE-OD2 2.75Å; R81-D85 VanDerWaalsContact NH1-CG 3.3Å; R81-D85 IonicContact NH1-OD1 3.19Å; R81-D85 PolarHBondContact NH1-OD1 3.3Å; R81-D85 IonicContact NH1-OD2 2.77Å; R81-D85 PolarHBondContact NH1-OD2 3.39Å; R81-D85 WeakPolarHBondContact O-CB 3.42Å; R81-D85 PolarHBondContact O-N 3.47Å; R81-A89 HydrophobicContact CB-CB 4.28Å; R81-F94 HydrophobicContact CB-CE2 4.44Å; R81-F94 HydrophobicContact CB-CZ 4.43Å; R81-F94 HydrophobicContact CG-CE1 4.17Å; R81-F94 HydrophobicContact CG-CE2 4.18Å; R81-F94 HydrophobicContact CG-CZ 3.69Å
82	C	84.2	Confident	82.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.8	-32.8	174.7	-68.4	0	0	0	0	112.5	L9 M38 W78 G80 G86 V87 A89	L9-C82 HydrophobicContact CD1-CB 4.24Å; L9-C82 HydrophobicContact CD2-CB 4.41Å; M38-C82 HydrophobicContact CE-CB 4.21Å; M38-C82 HydrophobicContact SD-CB 3.64Å; W78-C82 VanDerWaalsContact CE2-SG 3.57Å; W78-C82 WeakPolarHBondContact O-CB 3.36Å; W78-C82 PolarHBondContact O-N 3.43Å; W78-C82 PolarHBondContact O-SG 3.41Å; G80-C82 PolarHBondContact O-N 2.88Å; C82-G86 WeakPolarHBondContact O-CA 3.21Å; C82-G86 PolarHBondContact O-N 3.29Å; C82-V87 WeakPolarHBondContact CA-O 3.46Å; C82-A89 PolarHBondContact SG-N 2.99Å
83	Y	83.8	Confident	82.3	Confident	66 Å²	66	56.3 Å²	56.3	26%	0.259	31%	0.305	S	S	.	.	H	α-helix	trans	-78.3	-39.9	-179.8	-172.5	-90	0	0	0	112.9	K5 Q34 E37 M38 V79 G80 R81	K5-Y83 PolarHBondContact NZ-O 3.24Å; Q34-Y83 HydrophobicContact CB-CD2 4.31Å; Q34-Y83 HydrophobicContact CG-CD2 4.35Å; Q34-Y83 HydrophobicContact CG-CE2 4.4Å; E37-Y83 WeakPolarHBondContact OE2-CE2 3.39Å; E37-Y83 PolarHBondContact OE2-OH 3.45Å; M38-Y83 HydrophobicContact CE-CD2 4.31Å; M38-Y83 HydrophobicContact CG-CD2 4.2Å; M38-Y83 VanDerWaalsContact SD-CA 3.54Å; M38-Y83 HydrophobicContact SD-CD2 4.35Å; M38-Y83 PolarHBondContact SD-N 3.41Å; M38-Y83 VanDerWaalsContact SD-N 3.39Å; V79-Y83 VanDerWaalsContact O-CB 3.31Å; V79-Y83 WeakPolarHBondContact O-CB 3.18Å; V79-Y83 PolarHBondContact O-N 3.49Å; V79-Y83 VanDerWaalsContact O-N 3.14Å; G80-Y83 CarbonylContact O-C 3.55Å; G80-Y83 WeakPolarHBondContact O-CA 3.32Å; G80-Y83 WeakPolarHBondContact O-CB 3.16Å; G80-Y83 PolarHBondContact O-N 3.31Å; R81-Y83 PolarHBondContact O-N 3.41Å
84	D	81.3	Confident	81.8	Confident	120 Å²	120	57.3 Å²	57.3	64%	0.642	31%	0.308	S	S	*	.	H	α-helix	trans	-79.1	-52.3	-176.3	-66.6	-26	0	0	0	111.4	G80 R81 G86	G80-D84 WeakPolarHBondContact O-CB 3.35Å; G80-D84 VanDerWaalsContact O-CG 3.26Å; G80-D84 PolarHBondContact O-N 2.87Å; R81-D84 PolarHBondContact O-N 2.95Å; D84-G86 VanDerWaalsContact C-N 3.28Å; D84-G86 PolarHBondContact O-N 3.37Å
85	D	77.4	Confident	81.3	Confident	89 Å²	89	60.7 Å²	60.7	48%	0.476	33%	0.331	S	S	.	.	S	Bend	trans	-78.1	-14.3	-179.4	-59.8	-49.1	0	0	0	112.2	R81 V87	R81-D85 WeakPolarHBondContact CD-OD2 3.45Å; R81-D85 IonicContact CZ-OD2 3.86Å; R81-D85 IonicContact NE-OD2 2.75Å; R81-D85 VanDerWaalsContact NH1-CG 3.3Å; R81-D85 IonicContact NH1-OD1 3.19Å; R81-D85 PolarHBondContact NH1-OD1 3.3Å; R81-D85 IonicContact NH1-OD2 2.77Å; R81-D85 PolarHBondContact NH1-OD2 3.39Å; R81-D85 WeakPolarHBondContact O-CB 3.42Å; R81-D85 PolarHBondContact O-N 3.47Å; D85-V87 PolarHBondContact O-N 3.18Å
86	G	74.5	Confident	80.9	Confident	30 Å²	30	60.2 Å²	60.2	31%	0.309	33%	0.328	S	S	.	.	S	Bend	trans	67.5	17	177.2	0	0	0	0	0	114.8	V8 C82 D84	V8-G86 WeakPolarHBondContact CG2-O 3.37Å; C82-G86 WeakPolarHBondContact O-CA 3.21Å; C82-G86 PolarHBondContact O-N 3.29Å; D84-G86 VanDerWaalsContact C-N 3.28Å; D84-G86 PolarHBondContact O-N 3.37Å
87	V	80.1	Confident	80.2	Confident	99 Å²	99	65.1 Å²	65.1	60%	0.6	35%	0.352	S	S	*	.	S	Bend	trans	-133.2	145.4	-179.1	178.2	0	0	0	0	108.1	C82 D85 A89	C82-V87 WeakPolarHBondContact CA-O 3.46Å; D85-V87 PolarHBondContact O-N 3.18Å; V87-A89 PolarHBondContact O-N 2.91Å
88	R	80	Confident	79.5	Confident	111 Å²	111	61.2 Å²	61.2	42%	0.419	33%	0.332	S	S	.	.			trans	-62.9	107.7	173.8	-179.1	175.2	173.6	-166.1	-8.2	109.8	L9 H52 W78 E91	L9-R88 HydrophobicContact CD2-CB 3.94Å; L9-R88 HydrophobicContact CD2-CG 3.85Å; H52-R88 PolarHBondContact CE1-NH2 3.08Å; H52-R88 PolarHBondContact NE2-NH2 3.44Å; W78-R88 HydrophobicContact CZ2-CG 4.36Å; R88-E91 IonicContact CZ-OE1 3.19Å; R88-E91 IonicContact NE-OE1 2.77Å; R88-E91 PolarHBondContact NE-OE1 2.94Å; R88-E91 IonicContact NH2-OE1 3.95Å; R88-E91 PolarHBondContact NH2-OE1 3Å; R88-E91 IonicContact NH2-OE2 2.66Å; R88-E91 PolarHBondContact NH2-OE2 2.86Å
89	A	79.9	Confident	78	Confident	20 Å²	20	66.1 Å²	66.1	17%	0.165	36%	0.358	C	S	.	.			trans	-67.4	148.6	172.9	0	0	0	0	0	110.6	W78 R81 C82 V87 E91 F94	W78-A89 PolarHBondContact NE1-O 3.08Å; R81-A89 HydrophobicContact CB-CB 4.28Å; C82-A89 PolarHBondContact SG-N 2.99Å; V87-A89 PolarHBondContact O-N 2.91Å; A89-E91 PolarHBondContact O-N 3.32Å; A89-F94 HydrophobicContact CB-CD2 4.46Å; A89-F94 HydrophobicContact CB-CE2 4.26Å
90	D	78.8	Confident	76.9	Confident	76 Å²	76	71.5 Å²	71.5	41%	0.406	38%	0.384	S	S	.	.			trans	-61.9	129.1	173	170.1	27.5	0	0	0	110.7	S92 L93	D90-S92 PolarHBondContact O-N 3.37Å; D90-S92 WeakPolarHBondContact OD1-CB 3.3Å; D90-S92 PolarHBondContact OD1-N 2.89Å; D90-S92 WeakPolarHBondContact OD2-CB 3.43Å; D90-S92 PolarHBondContact OD2-OG 3.05Å; D90-L93 HydrophobicContact CB-CD1 4.16Å; D90-L93 HydrophobicContact CB-CG 4.18Å; D90-L93 PolarHBondContact O-N 3.3Å
91	E	81.9	Confident	75.2	Confident	24 Å²	24	80.2 Å²	80.2	11%	0.112	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-64.4	-26.1	178.4	-63.1	80	-160.8	0	0	112.4	H52 Q72 V74 W78 R88 A89 L93 F94	H52-E91 IonicContact CD2-OE1 2.74Å; H52-E91 IonicContact NE2-OE1 2.79Å; H52-E91 PolarHBondContact NE2-OE1 3.3Å; Q72-E91 HydrophobicContact CB-CG 4.3Å; Q72-E91 HydrophobicContact CG-CG 4.4Å; V74-E91 HydrophobicContact CG2-CB 4.14Å; V74-E91 HydrophobicContact CG2-CG 4.03Å; W78-E91 HydrophobicContact CZ2-CG 4.26Å; R88-E91 IonicContact CZ-OE1 3.19Å; R88-E91 IonicContact NE-OE1 2.77Å; R88-E91 PolarHBondContact NE-OE1 2.94Å; R88-E91 IonicContact NH2-OE1 3.95Å; R88-E91 PolarHBondContact NH2-OE1 3Å; R88-E91 IonicContact NH2-OE2 2.66Å; R88-E91 PolarHBondContact NH2-OE2 2.86Å; A89-E91 PolarHBondContact O-N 3.32Å; E91-L93 VanDerWaalsContact C-N 3.29Å; E91-L93 PolarHBondContact O-N 2.93Å; E91-F94 PolarHBondContact O-N 3.06Å
92	S	73	Confident	73.2	Confident	85 Å²	85	80 Å²	80	59%	0.594	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-68.3	-25.9	-178.9	98.2	0	0	0	0	113.8	D90 F94 P95	D90-S92 PolarHBondContact O-N 3.37Å; D90-S92 WeakPolarHBondContact OD1-CB 3.3Å; D90-S92 PolarHBondContact OD1-N 2.89Å; D90-S92 WeakPolarHBondContact OD2-CB 3.43Å; D90-S92 PolarHBondContact OD2-OG 3.05Å; S92-F94 VanDerWaalsContact C-N 3.35Å; S92-P95 WeakPolarHBondContact O-CD 3.36Å
93	L	73.9	Confident	71.3	Confident	119 Å²	119	85.6 Å²	85.6	62%	0.623	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-77.6	-19.4	179.3	-62.6	177.7	0	0	0	113.2	D90 E91	D90-L93 HydrophobicContact CB-CD1 4.16Å; D90-L93 HydrophobicContact CB-CG 4.18Å; D90-L93 PolarHBondContact O-N 3.3Å; E91-L93 VanDerWaalsContact C-N 3.29Å; E91-L93 PolarHBondContact O-N 2.93Å
94	F	76.9	Confident	69.1	Low	46 Å²	46	87.4 Å²	87.4	20%	0.202	48%	0.477	C	S	.	.	S	Bend	trans	-128.6	45.3	-171.8	-64.3	-75.8	0	0	0	113.8	V74 S75 L77 W78 R81 A89 E91 S92 A96	V74-F94 HydrophobicContact CG1-CB 4.11Å; V74-F94 WeakPolarHBondContact CG1-O 3.42Å; S75-F94 WeakPolarHBondContact CB-O 3.33Å; S75-F94 PolarHBondContact N-O 3.43Å; S75-F94 PolarHBondContact OG-O 3.32Å; L77-F94 HydrophobicContact CB-CD1 3.93Å; L77-F94 HydrophobicContact CB-CE1 4.35Å; W78-F94 HydrophobicContact CB-CB 3.76Å; W78-F94 HydrophobicContact CB-CD2 4.42Å; W78-F94 HydrophobicContact CB-CG 4.15Å; W78-F94 HydrophobicContact CG-CB 4.47Å; R81-F94 HydrophobicContact CB-CE2 4.44Å; R81-F94 HydrophobicContact CB-CZ 4.43Å; R81-F94 HydrophobicContact CG-CE1 4.17Å; R81-F94 HydrophobicContact CG-CE2 4.18Å; R81-F94 HydrophobicContact CG-CZ 3.69Å; A89-F94 HydrophobicContact CB-CD2 4.46Å; A89-F94 HydrophobicContact CB-CE2 4.26Å; E91-F94 PolarHBondContact O-N 3.06Å; S92-F94 VanDerWaalsContact C-N 3.35Å; F94-A96 PolarHBondContact O-N 3.27Å
95	P	80.9	Confident	67.2	Low	72 Å²	72	88.4 Å²	88.4	47%	0.468	48%	0.479	S	S	.	.	B	Isolated β-bridge	trans	-60.7	139.4	-174.8	28.7	-36	0	0	0	111.1	S92 L97	S92-P95 WeakPolarHBondContact O-CD 3.36Å; P95-L97 PolarHBondContact O-N 3.16Å
96	A	79.1	Confident	65.7	Low	10 Å²	10	94.2 Å²	94.2	8%	0.083	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-63.6	136.4	172.8	0	0	0	0	0	110.5	F55 W63 L73 F94	F55-A96 HydrophobicContact CB-CB 3.97Å; F55-A96 HydrophobicContact CD1-CB 4.28Å; W63-A96 HydrophobicContact CH2-CB 4.49Å; W63-A96 VanDerWaalsContact CH2-O 3.32Å; W63-A96 WeakPolarHBondContact CH2-O 3.41Å; W63-A96 HydrophobicContact CZ3-CB 3.81Å; L73-A96 HydrophobicContact CG-CB 4.08Å; L73-A96 PolarHBondContact O-N 3.46Å; F94-A96 PolarHBondContact O-N 3.27Å
97	L	70.9	Confident	63.9	Low	135 Å²	135	97.7 Å²	97.7	71%	0.707	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-88.4	144.6	174.7	-61.4	178.1	0	0	0	110.7	P95	P95-L97 PolarHBondContact O-N 3.16Å
98	N	69.8	Low	62.3	Low	42 Å²	42	104.5 Å²	104.5	23%	0.225	53%	0.527	C	S	.	.			trans	-136.9	114	168.9	174.7	46	0	0	0	108.7	W63 E100	W63-N98 HydrophobicContact CD2-CB 3.93Å; W63-N98 HydrophobicContact CE3-CB 3.87Å; W63-N98 HydrophobicContact CH2-CB 3.38Å; W63-N98 HydrophobicContact CZ2-CB 3.4Å; W63-N98 VanDerWaalsContact CZ2-CB 3.4Å; W63-N98 HydrophobicContact CZ3-CB 3.6Å; N98-E100 PolarHBondContact ND2-OE2 3.25Å; N98-E100 PolarHBondContact O-N 2.99Å
99	D	59	Low	60.4	Low	103 Å²	103	104.6 Å²	104.6	55%	0.551	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-71.1	-2	-167.6	-53.2	-49	0	0	0	114.6	K101 N102	D99-K101 PolarHBondContact O-N 2.89Å; D99-N102 PolarHBondContact O-N 2.71Å
100	E	62.5	Low	59	Low	113 Å²	113	110.6 Å²	110.6	53%	0.528	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-62.3	-4.5	177.8	-65.9	-177.5	160.5	0	0	114.3	Q60 N98 N102	Q60-E100 VanDerWaalsContact NE2-CD 3.29Å; Q60-E100 PolarHBondContact NE2-OE1 3.18Å; Q60-E100 PolarHBondContact NE2-OE2 3.31Å; N98-E100 PolarHBondContact ND2-OE2 3.25Å; N98-E100 PolarHBondContact O-N 2.99Å; E100-N102 PolarHBondContact O-N 3.49Å
101	K	46.3	Very low	57.4	Low	205 Å²	205	119.2 Å²	119.2	89%	0.891	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-69.6	-11.9	165.4	-89.1	-165.6	175.3	-174	0	113.9	D99 P103	D99-K101 PolarHBondContact O-N 2.89Å; K101-P103 VanDerWaalsContact C-CD 3.48Å; K101-P103 VanDerWaalsContact O-CD 3.24Å; K101-P103 WeakPolarHBondContact O-CD 3.4Å
102	N	42.5	Very low	55.9	Low	116 Å²	116	123 Å²	123	62%	0.62	61%	0.611	S	S	*	*			trans	-111.7	83.3	171.7	-165.5	-3.2	0	0	0	111	D99 E100 V104	D99-N102 PolarHBondContact O-N 2.71Å; E100-N102 PolarHBondContact O-N 3.49Å; N102-V104 PolarHBondContact O-N 3.03Å; N102-V104 VanDerWaalsContact O-N 3.08Å; N102-V104 WeakPolarHBondContact OD1-CB 3.5Å; N102-V104 WeakPolarHBondContact OD1-CG2 3.46Å; N102-V104 PolarHBondContact OD1-N 3.39Å
103	P	45.9	Very low	54.2	Low	117 Å²	117	125.1 Å²	125.1	76%	0.76	61%	0.613	S	S	*	*			trans	-76.4	17	-179.5	34	-37.9	0	0	0	113.7	K101 M105	K101-P103 VanDerWaalsContact C-CD 3.48Å; K101-P103 VanDerWaalsContact O-CD 3.24Å; K101-P103 WeakPolarHBondContact O-CD 3.4Å; P103-M105 PolarHBondContact O-N 2.85Å
104	V	36.8	Very low	53.2	Low	104 Å²	104	124.9 Å²	124.9	63%	0.63	61%	0.612	S	S	*	*	S	Bend	trans	-67.9	103.8	-179.5	173	0	0	0	0	110.6	N102 K106	N102-V104 PolarHBondContact O-N 3.03Å; N102-V104 VanDerWaalsContact O-N 3.08Å; N102-V104 WeakPolarHBondContact OD1-CB 3.5Å; N102-V104 WeakPolarHBondContact OD1-CG2 3.46Å; N102-V104 PolarHBondContact OD1-N 3.39Å; V104-K106 VanDerWaalsContact C-N 3.33Å; V104-K106 PolarHBondContact O-N 3.34Å
105	M	41.4	Very low	51.7	Low	140 Å²	140	127.5 Å²	127.5	69%	0.69	63%	0.633	S	S	*	*			trans	55	35.5	148.5	-62.6	-99.2	-80.3	0	0	116.7	P103 N107	P103-M105 PolarHBondContact O-N 2.85Å; M105-N107 PolarHBondContact O-N 2.82Å
106	K	45.1	Very low	49.9	Very low	212 Å²	212	130.3 Å²	130.3	92%	0.922	64%	0.638	S	S	*	*			trans	-71.9	66.9	146.3	-73.3	-171.6	-179.9	177.6	0	108.9	V104	V104-K106 VanDerWaalsContact C-N 3.33Å; V104-K106 PolarHBondContact O-N 3.34Å
107	N	37.5	Very low	48	Very low	102 Å²	102	137.8 Å²	137.8	55%	0.545	67%	0.671	S	S	.	*			trans	-51.8	140.5	174.5	-76.7	-19.5	0	0	0	108.8	M105 Q109	M105-N107 PolarHBondContact O-N 2.82Å; N107-Q109 PolarHBondContact O-N 3.39Å
108	R	45.5	Very low	46.9	Very low	243 Å²	243	133.7 Å²	133.7	92%	0.917	65%	0.653	S	S	*	*			trans	-72.5	64.8	165.4	-76.9	-179.8	164.9	-172.6	-3.9	109.5	H110	R108-H110 PolarHBondContact O-N 2.96Å
109	Q	41.6	Very low	45.8	Very low	112 Å²	112	136.6 Å²	136.6	52%	0.523	68%	0.675	S	S	.	*			trans	-49.4	125.6	155.3	-81	177.5	-29.4	0	0	106.9	N107 M113	N107-Q109 PolarHBondContact O-N 3.39Å; Q109-M113 HydrophobicContact CB-CB 4.19Å
110	H	49.4	Very low	45.4	Very low	146 Å²	146	134.6 Å²	134.6	68%	0.676	66%	0.662	S	S	*	*			trans	-59.6	151.8	179.5	-75	-134.4	0	0	0	108.5	R108 C112 M113	R108-H110 PolarHBondContact O-N 2.96Å; H110-C112 PolarHBondContact O-N 3.28Å; H110-M113 PolarHBondContact O-N 3.1Å
111	R	44.8	Very low	44.8	Very low	257 Å²	257	136 Å²	136	97%	0.97	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-2.1	-167.4	-155.2	178.4	-176.2	177.7	1.6	115.1
112	C	51.3	Low	45.1	Very low	104 Å²	104	127.3 Å²	127.3	70%	0.703	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-16.4	170.9	45.6	0	0	0	0	114.9	H110	H110-C112 PolarHBondContact O-N 3.28Å
113	M	37.8	Very low	45.8	Very low	129 Å²	129	123.2 Å²	123.2	64%	0.635	60%	0.604	S	S	*	*	S	Bend	trans	-104	22.4	-167.7	-61.1	-60.8	-67.8	0	0	114.8	Q109 H110	Q109-M113 HydrophobicContact CB-CB 4.19Å; H110-M113 PolarHBondContact O-N 3.1Å
114	L	51.4	Low	46.2	Very low	114 Å²	114	125.5 Å²	125.5	60%	0.597	61%	0.605	S	S	*	*	S	Bend	trans	-130.3	130.5	177	-91.8	156.6	0	0	0	109.4	K116	L114-K116 PolarHBondContact O-N 2.86Å
115	P	47	Very low	47.2	Very low	101 Å²	101	126.5 Å²	126.5	66%	0.656	61%	0.607	S	S	*	*			trans	-54	130.1	172.9	-26.6	35.4	0	0	0	111.3	H117	P115-H117 VanDerWaalsContact C-N 3.27Å; P115-H117 PolarHBondContact O-N 2.79Å
116	K	42.8	Very low	49	Very low	132 Å²	132	121 Å²	121	57%	0.574	58%	0.581	S	S	*	*			trans	-74.7	70.5	-175.6	-66.7	-178.9	-173.9	166.5	0	112	L114 S118 E120	L114-K116 PolarHBondContact O-N 2.86Å; K116-S118 PolarHBondContact O-N 3.46Å; K116-S118 VanDerWaalsContact O-O 3.06Å; K116-E120 IonicContact NZ-OE1 3.19Å
117	H	38.2	Very low	50	Low	167 Å²	167	119.2 Å²	119.2	77%	0.773	57%	0.568	S	S	*	*			trans	-79.2	54.9	165.3	-62.3	-61.7	0	0	0	111.7	R24 P115	R24-H117 PolarHBondContact NH2-O 3.13Å; P115-H117 VanDerWaalsContact C-N 3.27Å; P115-H117 PolarHBondContact O-N 2.79Å
118	S	47.5	Very low	51.3	Low	48 Å²	48	122.2 Å²	122.2	34%	0.336	57%	0.572	S	S	.	*	S	Bend	trans	-103.4	152.6	145.1	44.4	0	0	0	0	107.3	K116 E120	K116-S118 PolarHBondContact O-N 3.46Å; K116-S118 VanDerWaalsContact O-O 3.06Å; S118-E120 PolarHBondContact O-N 3.26Å
119	P	47.3	Very low	52.3	Low	104 Å²	104	111.9 Å²	111.9	68%	0.675	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-52.3	141.5	161.2	25.9	-34.4	0	0	0	109.1
120	E	50	Low	53.8	Low	60 Å²	60	111.7 Å²	111.7	28%	0.28	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-56.1	145.5	179.1	-161.6	53.2	-129.1	0	0	109.3	K116 S118 T122	K116-E120 IonicContact NZ-OE1 3.19Å; S118-E120 PolarHBondContact O-N 3.26Å; E120-T122 PolarHBondContact O-N 2.89Å
121	R	49.7	Very low	55	Low	142 Å²	142	111.2 Å²	111.2	54%	0.536	53%	0.528	S	S	.	.			trans	-81.3	71.4	-178.7	-82.8	-170.1	174.2	-131.2	-8.3	110	D126 L129 W689	R121-D126 IonicContact CZ-OD2 3.73Å; R121-D126 IonicContact NH1-OD2 3.72Å; R121-D126 PolarHBondContact NH1-OD2 2.59Å; R121-L129 HydrophobicContact CB-CD2 4.44Å; R121-L129 WeakPolarHBondContact O-CD2 3.39Å; R121-W689 HydrophobicContact CB-CZ2 3.94Å
122	T	52.6	Low	56.4	Low	24 Å²	24	104.1 Å²	104.1	15%	0.147	50%	0.504	C	S	.	.			trans	-62	151	175.9	77.5	0	0	0	0	110.7	E120 E124 N125 D126 E685	E120-T122 PolarHBondContact O-N 2.89Å; T122-E124 PolarHBondContact O-N 2.68Å; T122-E124 PolarHBondContact OG1-N 3.03Å; T122-N125 PolarHBondContact O-N 3.41Å; T122-N125 VanDerWaalsContact O-N 3.16Å; T122-N125 WeakPolarHBondContact OG1-CB 3.32Å; T122-N125 PolarHBondContact OG1-N 2.86Å; T122-N125 VanDerWaalsContact OG1-N 3.13Å; T122-N125 PolarHBondContact OG1-ND2 3.41Å; T122-D126 PolarHBondContact O-N 2.9Å; T122-E685 WeakPolarHBondContact CA-OE1 3.47Å; T122-E685 WeakPolarHBondContact CA-OE2 3.27Å; T122-E685 WeakPolarHBondContact CB-OE1 2.75Å; T122-E685 WeakPolarHBondContact CG2-OE2 3.07Å
123	I	57.1	Low	57.3	Low	29 Å²	29	101.3 Å²	101.3	15%	0.149	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.7	174	-72.1	-162.5	0	0	0	111.4	L129 K130 F133 E685 L688	I123-L129 HydrophobicContact CG1-CB 4.48Å; I123-K130 HydrophobicContact CG2-CB 4.2Å; I123-F133 HydrophobicContact CD1-CB 3.77Å; I123-F133 HydrophobicContact CD1-CD1 4.18Å; I123-F133 HydrophobicContact CD1-CD2 3.9Å; I123-F133 HydrophobicContact CD1-CG 3.68Å; I123-E685 PolarHBondContact N-OE1 2.78Å; I123-L688 HydrophobicContact CD1-CB 3.97Å; I123-L688 HydrophobicContact CD1-CD1 3.66Å; I123-L688 HydrophobicContact CD1-CD2 3.81Å; I123-L688 HydrophobicContact CD1-CG 4.02Å; I123-L688 HydrophobicContact CG1-CD1 4.03Å
124	E	54.8	Low	58.9	Low	165 Å²	165	99.4 Å²	99.4	77%	0.771	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-32.6	177.9	-59.7	173.7	177.5	0	0	112.4	T122	T122-E124 PolarHBondContact O-N 2.68Å; T122-E124 PolarHBondContact OG1-N 3.03Å
125	N	57.3	Low	60.3	Low	126 Å²	126	99.4 Å²	99.4	67%	0.674	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-20.8	-173.1	-76.5	-55.2	0	0	0	115.7	T122	T122-N125 PolarHBondContact O-N 3.41Å; T122-N125 VanDerWaalsContact O-N 3.16Å; T122-N125 WeakPolarHBondContact OG1-CB 3.32Å; T122-N125 PolarHBondContact OG1-N 2.86Å; T122-N125 VanDerWaalsContact OG1-N 3.13Å; T122-N125 PolarHBondContact OG1-ND2 3.41Å
126	D	79.3	Confident	61.5	Low	25 Å²	25	96.1 Å²	96.1	13%	0.134	44%	0.441	C	S	.	.			trans	-116.4	104.2	177	-168.2	-26.1	0	0	0	111.7	R121 T122 R128 L129 K130	R121-D126 IonicContact CZ-OD2 3.73Å; R121-D126 IonicContact NH1-OD2 3.72Å; R121-D126 PolarHBondContact NH1-OD2 2.59Å; T122-D126 PolarHBondContact O-N 2.9Å; D126-R128 PolarHBondContact O-N 2.9Å; D126-R128 VanDerWaalsContact OD1-CB 3.27Å; D126-R128 WeakPolarHBondContact OD1-CB 3.4Å; D126-R128 PolarHBondContact OD1-N 3.09Å; D126-L129 HydrophobicContact CB-CB 4.25Å; D126-L129 HydrophobicContact CB-CD1 3.95Å; D126-L129 WeakPolarHBondContact O-CA 3.26Å; D126-L129 WeakPolarHBondContact O-CB 3.37Å; D126-L129 PolarHBondContact O-N 3.1Å; D126-K130 PolarHBondContact O-N 2.95Å
127	W	65.9	Low	62.8	Low	173 Å²	173	92.4 Å²	92.4	66%	0.655	43%	0.43	S	S	*	.	H	α-helix	trans	-56.5	-23.3	179.3	79.7	-92	0	0	0	113.9	K131	W127-K131 HydrophobicContact CE3-CB 4.49Å; W127-K131 HydrophobicContact CE3-CD 4.49Å; W127-K131 HydrophobicContact CZ3-CD 4.07Å; W127-K131 WeakPolarHBondContact O-CB 3.39Å; W127-K131 PolarHBondContact O-N 3.26Å
128	R	65.8	Low	64.5	Low	165 Å²	165	93 Å²	93	62%	0.623	43%	0.43	S	S	*	.	H	α-helix	trans	-78.1	-32.9	176.4	-58.5	179.7	173.4	-178.5	-1.5	111.6	D126 K132	D126-R128 PolarHBondContact O-N 2.9Å; D126-R128 VanDerWaalsContact OD1-CB 3.27Å; D126-R128 WeakPolarHBondContact OD1-CB 3.4Å; D126-R128 PolarHBondContact OD1-N 3.09Å; R128-K132 WeakPolarHBondContact O-CB 3.39Å; R128-K132 WeakPolarHBondContact O-CG 3.29Å; R128-K132 PolarHBondContact O-N 3.47Å
129	L	67.4	Low	65.1	Low	27 Å²	27	95.9 Å²	95.9	14%	0.141	44%	0.438	C	S	.	.	H	α-helix	trans	-68	-48.1	167.8	-91.5	76.6	0	0	0	110	R121 I123 D126 K131 K132 F133 W689	R121-L129 HydrophobicContact CB-CD2 4.44Å; R121-L129 WeakPolarHBondContact O-CD2 3.39Å; I123-L129 HydrophobicContact CG1-CB 4.48Å; D126-L129 HydrophobicContact CB-CB 4.25Å; D126-L129 HydrophobicContact CB-CD1 3.95Å; D126-L129 WeakPolarHBondContact O-CA 3.26Å; D126-L129 WeakPolarHBondContact O-CB 3.37Å; D126-L129 PolarHBondContact O-N 3.1Å; L129-K131 PolarHBondContact O-N 3.26Å; L129-K132 WeakPolarHBondContact O-CB 3.23Å; L129-K132 PolarHBondContact O-N 3.03Å; L129-K132 VanDerWaalsContact O-N 3.1Å; L129-F133 WeakPolarHBondContact O-CB 3.39Å; L129-F133 PolarHBondContact O-N 3.42Å; L129-W689 HydrophobicContact CD2-CH2 3.78Å; L129-W689 HydrophobicContact CD2-CZ2 3.56Å
130	K	72.4	Confident	65.6	Low	108 Å²	108	92.8 Å²	92.8	47%	0.47	42%	0.416	S	S	.	.	H	α-helix	trans	-54	-50	176.2	-178.2	165.5	178.3	167.8	0	112.4	I123 D126 K132 F133 E134	I123-K130 HydrophobicContact CG2-CB 4.2Å; D126-K130 PolarHBondContact O-N 2.95Å; K130-K132 VanDerWaalsContact C-N 3.33Å; K130-K132 PolarHBondContact O-N 2.89Å; K130-F133 PolarHBondContact O-N 3.24Å; K130-E134 WeakPolarHBondContact CE-OE1 3.36Å; K130-E134 HydrophobicContact CG-CG 4.45Å; K130-E134 WeakPolarHBondContact CG-OE1 3.38Å; K130-E134 WeakPolarHBondContact O-CB 3.45Å; K130-E134 WeakPolarHBondContact O-CG 3.08Å; K130-E134 PolarHBondContact O-N 2.73Å
131	K	75.2	Confident	65.6	Low	136 Å²	136	95.5 Å²	95.5	59%	0.591	44%	0.439	S	S	*	.	H	α-helix	trans	-68.9	-27	178.7	-169.2	166.7	-174.4	168.8	0	113.7	W127 L129 K135	W127-K131 HydrophobicContact CE3-CB 4.49Å; W127-K131 HydrophobicContact CE3-CD 4.49Å; W127-K131 HydrophobicContact CZ3-CD 4.07Å; W127-K131 WeakPolarHBondContact O-CB 3.39Å; W127-K131 PolarHBondContact O-N 3.26Å; L129-K131 PolarHBondContact O-N 3.26Å; K131-K135 WeakPolarHBondContact O-CB 3.42Å; K131-K135 PolarHBondContact O-N 3.09Å
132	K	73.8	Confident	65.2	Low	108 Å²	108	96.4 Å²	96.4	47%	0.47	45%	0.453	S	S	.	.	H	α-helix	trans	-68.6	-49.1	168.9	-88.8	-178.6	151.1	-154.1	0	111.2	R128 L129 K130 K135 L136 E692	R128-K132 WeakPolarHBondContact O-CB 3.39Å; R128-K132 WeakPolarHBondContact O-CG 3.29Å; R128-K132 PolarHBondContact O-N 3.47Å; L129-K132 WeakPolarHBondContact O-CB 3.23Å; L129-K132 PolarHBondContact O-N 3.03Å; L129-K132 VanDerWaalsContact O-N 3.1Å; K130-K132 VanDerWaalsContact C-N 3.33Å; K130-K132 PolarHBondContact O-N 2.89Å; K132-K135 CarbonylContact O-C 3.56Å; K132-K135 WeakPolarHBondContact O-CA 3.41Å; K132-K135 WeakPolarHBondContact O-CB 3.38Å; K132-K135 PolarHBondContact O-N 3.34Å; K132-K135 VanDerWaalsContact O-N 3.1Å; K132-L136 WeakPolarHBondContact O-CG 3.46Å; K132-L136 PolarHBondContact O-N 3.48Å; K132-E692 IonicContact NZ-OE1 2.82Å; K132-E692 PolarHBondContact NZ-OE1 3.17Å
133	F	69.8	Low	64.7	Low	44 Å²	44	100.7 Å²	100.7	19%	0.193	48%	0.484	C	S	.	.	H	α-helix	trans	-60.7	-48.9	179.2	177.3	-105.2	0	0	0	111.5	I123 L129 K130 K135 L136 V137 T636 L688 L691	I123-F133 HydrophobicContact CD1-CB 3.77Å; I123-F133 HydrophobicContact CD1-CD1 4.18Å; I123-F133 HydrophobicContact CD1-CD2 3.9Å; I123-F133 HydrophobicContact CD1-CG 3.68Å; L129-F133 WeakPolarHBondContact O-CB 3.39Å; L129-F133 PolarHBondContact O-N 3.42Å; K130-F133 PolarHBondContact O-N 3.24Å; F133-K135 PolarHBondContact O-N 2.86Å; F133-L136 PolarHBondContact O-N 3.3Å; F133-L136 VanDerWaalsContact O-N 3.12Å; F133-V137 HydrophobicContact CD1-CG2 4.25Å; F133-V137 HydrophobicContact CD2-CG2 4.02Å; F133-V137 HydrophobicContact CE1-CG2 3.88Å; F133-V137 HydrophobicContact CE2-CG2 3.61Å; F133-V137 HydrophobicContact CG-CG2 4.32Å; F133-V137 HydrophobicContact CZ-CG2 3.54Å; F133-V137 WeakPolarHBondContact O-CB 3.35Å; F133-V137 WeakPolarHBondContact O-CG2 3.33Å; F133-V137 PolarHBondContact O-N 3.36Å; F133-T636 HydrophobicContact CE2-CG2 4.11Å; F133-T636 HydrophobicContact CZ-CG2 4.07Å; F133-L688 HydrophobicContact CD2-CD2 3.83Å; F133-L688 HydrophobicContact CE1-CD2 4.48Å; F133-L688 HydrophobicContact CE2-CD2 3.27Å; F133-L688 HydrophobicContact CZ-CD2 3.65Å; F133-L691 HydrophobicContact CD2-CD2 4.15Å; F133-L691 HydrophobicContact CE2-CD2 3.86Å
134	E	72	Confident	63.8	Low	90 Å²	90	106.2 Å²	106.2	42%	0.421	51%	0.51	S	S	.	.	H	α-helix	trans	-55.3	-33.9	173	-73.9	172.1	-167.9	0	0	113	K130 K138	K130-E134 WeakPolarHBondContact CE-OE1 3.36Å; K130-E134 HydrophobicContact CG-CG 4.45Å; K130-E134 WeakPolarHBondContact CG-OE1 3.38Å; K130-E134 WeakPolarHBondContact O-CB 3.45Å; K130-E134 WeakPolarHBondContact O-CG 3.08Å; K130-E134 PolarHBondContact O-N 2.73Å; E134-K138 WeakPolarHBondContact O-CB 3.49Å; E134-K138 WeakPolarHBondContact O-CD 3.33Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.4Å; E134-K138 PolarHBondContact O-N 2.86Å
135	K	80.9	Confident	62.8	Low	114 Å²	114	104.1 Å²	104.1	50%	0.496	51%	0.51	S	S	.	.	H	α-helix	trans	-76.6	-43.9	175.9	-174.9	174.7	178.6	-71	0	111.7	K131 K132 F133 K138 E139	K131-K135 WeakPolarHBondContact O-CB 3.42Å; K131-K135 PolarHBondContact O-N 3.09Å; K132-K135 CarbonylContact O-C 3.56Å; K132-K135 WeakPolarHBondContact O-CA 3.41Å; K132-K135 WeakPolarHBondContact O-CB 3.38Å; K132-K135 PolarHBondContact O-N 3.34Å; K132-K135 VanDerWaalsContact O-N 3.1Å; F133-K135 PolarHBondContact O-N 2.86Å; K135-K138 CarbonylContact O-C 3.46Å; K135-K138 PolarHBondContact O-N 3.43Å; K135-E139 WeakPolarHBondContact CE-OE1 3.2Å; K135-E139 IonicContact NZ-OE1 3.46Å; K135-E139 PolarHBondContact NZ-OE1 2.77Å; K135-E139 IonicContact NZ-OE2 2.79Å; K135-E139 PolarHBondContact NZ-OE2 3.31Å; K135-E139 WeakPolarHBondContact O-CB 3.43Å; K135-E139 VanDerWaalsContact O-CG 3.31Å; K135-E139 WeakPolarHBondContact O-CG 3.33Å; K135-E139 PolarHBondContact O-N 2.92Å
136	L	71.9	Confident	61.6	Low	31 Å²	31	106.9 Å²	106.9	16%	0.162	52%	0.519	C	S	.	.	H	α-helix	trans	-66.6	-37.4	178.5	-70.9	174.3	0	0	0	112.3	K132 F133 K138 E139 L140 E692	K132-L136 WeakPolarHBondContact O-CG 3.46Å; K132-L136 PolarHBondContact O-N 3.48Å; F133-L136 PolarHBondContact O-N 3.3Å; F133-L136 VanDerWaalsContact O-N 3.12Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-E139 CarbonylContact O-C 3.52Å; L136-E139 PolarHBondContact O-N 2.96Å; L136-E139 VanDerWaalsContact O-N 3.14Å; L136-L140 PolarHBondContact O-N 3.1Å; L136-E692 VanDerWaalsContact CD1-OE2 3.29Å; L136-E692 WeakPolarHBondContact CD1-OE2 3.33Å
137	V	70.3	Confident	59.4	Low	54 Å²	54	111.7 Å²	111.7	33%	0.327	55%	0.549	S	S	.	.	H	α-helix	trans	-65.3	-36.1	172.6	171.3	0	0	0	0	111.1	F133 E139	F133-V137 HydrophobicContact CD1-CG2 4.25Å; F133-V137 HydrophobicContact CD2-CG2 4.02Å; F133-V137 HydrophobicContact CE1-CG2 3.88Å; F133-V137 HydrophobicContact CE2-CG2 3.61Å; F133-V137 HydrophobicContact CG-CG2 4.32Å; F133-V137 HydrophobicContact CZ-CG2 3.54Å; F133-V137 WeakPolarHBondContact O-CB 3.35Å; F133-V137 WeakPolarHBondContact O-CG2 3.33Å; F133-V137 PolarHBondContact O-N 3.36Å; V137-E139 VanDerWaalsContact C-N 3.3Å
138	K	72.8	Confident	58.2	Low	179 Å²	179	109.2 Å²	109.2	78%	0.778	55%	0.553	S	S	*	*	H	α-helix	trans	-75.5	-14.8	171.6	-75.1	175.7	177.8	176.3	0	114.4	E134 K135 L136	E134-K138 WeakPolarHBondContact O-CB 3.49Å; E134-K138 WeakPolarHBondContact O-CD 3.33Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.4Å; E134-K138 PolarHBondContact O-N 2.86Å; K135-K138 CarbonylContact O-C 3.46Å; K135-K138 PolarHBondContact O-N 3.43Å; L136-K138 VanDerWaalsContact C-N 3.32Å
139	E	60.8	Low	56.7	Low	110 Å²	110	107.2 Å²	107.2	51%	0.514	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.5	-2	176	-73.2	175.5	156.2	0	0	112.7	K135 L136 V137	K135-E139 WeakPolarHBondContact CE-OE1 3.2Å; K135-E139 IonicContact NZ-OE1 3.46Å; K135-E139 PolarHBondContact NZ-OE1 2.77Å; K135-E139 IonicContact NZ-OE2 2.79Å; K135-E139 PolarHBondContact NZ-OE2 3.31Å; K135-E139 WeakPolarHBondContact O-CB 3.43Å; K135-E139 VanDerWaalsContact O-CG 3.31Å; K135-E139 WeakPolarHBondContact O-CG 3.33Å; K135-E139 PolarHBondContact O-N 2.92Å; L136-E139 CarbonylContact O-C 3.52Å; L136-E139 PolarHBondContact O-N 2.96Å; L136-E139 VanDerWaalsContact O-N 3.14Å; V137-E139 VanDerWaalsContact C-N 3.3Å
140	L	56.8	Low	55.9	Low	38 Å²	38	111.9 Å²	111.9	20%	0.199	58%	0.584	C	S	.	*	S	Bend	trans	-74.2	139.2	161.6	-70.3	173.6	0	0	0	109.2	L136 L142 Q639	L136-L140 PolarHBondContact O-N 3.1Å; L140-L142 PolarHBondContact O-N 3.11Å; L140-Q639 HydrophobicContact CD1-CB 4.35Å
141	P	50.6	Low	54.1	Low	118 Å²	118	110.8 Å²	110.8	77%	0.766	59%	0.59	S	S	*	*			trans	-65.3	120.2	-179.2	26.3	-33.6	0	0	0	110.3	S143	P141-S143 PolarHBondContact O-N 3.43Å
142	L	42	Very low	52.5	Low	160 Å²	160	109.8 Å²	109.8	84%	0.838	60%	0.598	S	S	*	*			trans	-70	92	175.5	-155	87.4	0	0	0	109.1	L140 E144	L140-L142 PolarHBondContact O-N 3.11Å; L142-E144 PolarHBondContact O-N 2.75Å; L142-E144 VanDerWaalsContact O-N 3.09Å
143	S	41.7	Very low	51.1	Low	114 Å²	114	110.4 Å²	110.4	80%	0.797	61%	0.605	S	S	*	*			trans	-74.1	97.2	166.7	-169.6	0	0	0	0	108.1	P141	P141-S143 PolarHBondContact O-N 3.43Å
144	E	38.2	Very low	49.9	Very low	146 Å²	146	115 Å²	115	68%	0.682	63%	0.63	S	S	*	*			trans	-52.3	148.7	162	-65.3	175.1	145.4	0	0	109.6	L142 Q146	L142-E144 PolarHBondContact O-N 2.75Å; L142-E144 VanDerWaalsContact O-N 3.09Å; E144-Q146 PolarHBondContact O-N 2.82Å
145	P	34.8	Very low	48.7	Very low	120 Å²	120	116.7 Å²	116.7	78%	0.779	64%	0.641	S	S	*	*			trans	-62.2	127.5	-177.5	25.3	-33.8	0	0	0	110.6	V147	P145-V147 PolarHBondContact O-N 3.09Å
146	Q	31.1	Very low	46.9	Very low	184 Å²	184	117.2 Å²	117.2	86%	0.86	65%	0.649	S	S	*	*			trans	-69.4	98	177.7	-177	175.3	-6.7	0	0	109.4	E144 V148	E144-Q146 PolarHBondContact O-N 2.82Å; Q146-V148 PolarHBondContact O-N 2.57Å
147	V	33.9	Very low	45.9	Very low	126 Å²	126	124.5 Å²	124.5	76%	0.764	68%	0.682	S	S	*	*			trans	-58.5	126.1	168.1	178.2	0	0	0	0	108.1	P145 D149	P145-V147 PolarHBondContact O-N 3.09Å; V147-D149 VanDerWaalsContact C-N 3.3Å; V147-D149 PolarHBondContact O-N 3.35Å
148	V	40.2	Very low	44.9	Very low	121 Å²	121	130.2 Å²	130.2	73%	0.733	71%	0.705	S	S	*	*			trans	-81	81.9	177	-175.7	0	0	0	0	108.3	Q146 T150	Q146-V148 PolarHBondContact O-N 2.57Å; V148-T150 PolarHBondContact O-N 2.93Å; V148-T150 VanDerWaalsContact O-N 3.15Å
149	D	34.7	Very low	43.8	Very low	123 Å²	123	128 Å²	128	66%	0.658	70%	0.702	S	S	*	*			trans	-79	87.1	171	-170	-13.8	0	0	0	109.6	V147 S151	V147-D149 VanDerWaalsContact C-N 3.3Å; V147-D149 PolarHBondContact O-N 3.35Å; D149-S151 PolarHBondContact O-N 2.8Å; D149-S151 WeakPolarHBondContact OD1-CB 3.35Å; D149-S151 PolarHBondContact OD1-OG 3.1Å
150	T	49.1	Very low	43.2	Very low	126 Å²	126	126 Å²	126	77%	0.773	71%	0.71	S	S	*	*			trans	-80.6	70.9	174.1	-50.2	0	0	0	0	110.1	V148	V148-T150 PolarHBondContact O-N 2.93Å; V148-T150 VanDerWaalsContact O-N 3.15Å
151	S	35.3	Very low	42.6	Very low	85 Å²	85	128.9 Å²	128.9	59%	0.594	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-99.6	136.3	173.3	-72.6	0	0	0	0	111.3	D149	D149-S151 PolarHBondContact O-N 2.8Å; D149-S151 WeakPolarHBondContact OD1-CB 3.35Å; D149-S151 PolarHBondContact OD1-OG 3.1Å
152	P	41	Very low	42.2	Very low	115 Å²	115	129.7 Å²	129.7	75%	0.747	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-77.8	150.3	-167.2	30.8	-36.3	0	0	0	113.9	I154	P152-I154 PolarHBondContact O-N 3.16Å
153	I	44.2	Very low	42.4	Very low	120 Å²	120	129.9 Å²	129.9	62%	0.615	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-73.8	116.6	168.9	-58.1	172	0	0	0	108.2	I155	I153-I155 HydrophobicContact CG2-CG1 4.1Å
154	I	46.1	Very low	42.3	Very low	142 Å²	142	128.5 Å²	128.5	73%	0.728	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-86.4	117.8	169.4	-58.2	177	0	0	0	107.7	P152	P152-I154 PolarHBondContact O-N 3.16Å
155	I	45.2	Very low	42.8	Very low	125 Å²	125	126.4 Å²	126.4	64%	0.641	70%	0.702	S	S	*	*			trans	-99.9	113.6	171.4	-57.3	176	0	0	0	106.9	I153	I153-I155 HydrophobicContact CG2-CG1 4.1Å
156	D	44.9	Very low	43.3	Very low	125 Å²	125	123.8 Å²	123.8	67%	0.668	69%	0.69	S	S	*	*			trans	-90.4	120.1	172.3	-154.9	-15.1	0	0	0	109.1	E158	D156-E158 PolarHBondContact O-N 3.22Å
157	Q	50	Low	44.3	Very low	183 Å²	183	120.9 Å²	120.9	86%	0.855	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-11.5	-160	-78.3	-173.8	-30.6	0	0	114.6
158	E	48.6	Very low	45.4	Very low	174 Å²	174	123.6 Å²	123.6	81%	0.813	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-19.5	-172.3	-162.9	164.6	-173.6	0	0	114.4	D156	D156-E158 PolarHBondContact O-N 3.22Å
159	N	50.8	Low	45.9	Very low	134 Å²	134	127.3 Å²	127.3	72%	0.717	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	-3.6	-177.5	-65.6	121.1	0	0	0	116.4	I161	N159-I161 PolarHBondContact O-N 2.85Å; N159-I161 VanDerWaalsContact O-N 3.1Å
160	G	47.5	Very low	47.2	Very low	66 Å²	66	123.9 Å²	123.9	68%	0.68	67%	0.668	S	S	*	*			trans	66.5	11.1	171.7	0	0	0	0	0	116.5	I162	G160-I162 PolarHBondContact O-N 3.29Å
161	I	43.7	Very low	48.1	Very low	99 Å²	99	122.3 Å²	122.3	51%	0.508	66%	0.655	S	S	.	*			trans	-86.4	108.5	179.7	-55.9	179	0	0	0	110.1	N159 Y163	N159-I161 PolarHBondContact O-N 2.85Å; N159-I161 VanDerWaalsContact O-N 3.1Å; I161-Y163 HydrophobicContact CB-CD2 4.4Å; I161-Y163 HydrophobicContact CB-CE2 3.92Å; I161-Y163 HydrophobicContact CG2-CD2 3.89Å; I161-Y163 HydrophobicContact CG2-CE1 4.25Å; I161-Y163 HydrophobicContact CG2-CE2 3.45Å; I161-Y163 VanDerWaalsContact CG2-CE2 3.45Å; I161-Y163 HydrophobicContact CG2-CG 4.47Å; I161-Y163 PolarHBondContact O-N 3.1Å
162	I	42.4	Very low	49.9	Very low	136 Å²	136	124.6 Å²	124.6	70%	0.697	65%	0.651	S	S	*	*			trans	-75.6	103.2	173.9	-56.5	172.7	0	0	0	109.5	G160	G160-I162 PolarHBondContact O-N 3.29Å
163	Y	47.9	Very low	50.6	Low	163 Å²	163	124 Å²	124	64%	0.639	64%	0.639	S	S	*	*			trans	-84.5	114.7	170.1	-74.2	-79.6	0	0	0	110.8	I161	I161-Y163 HydrophobicContact CB-CD2 4.4Å; I161-Y163 HydrophobicContact CB-CE2 3.92Å; I161-Y163 HydrophobicContact CG2-CD2 3.89Å; I161-Y163 HydrophobicContact CG2-CE1 4.25Å; I161-Y163 HydrophobicContact CG2-CE2 3.45Å; I161-Y163 VanDerWaalsContact CG2-CE2 3.45Å; I161-Y163 HydrophobicContact CG2-CG 4.47Å; I161-Y163 PolarHBondContact O-N 3.1Å
164	S	39.1	Very low	52.1	Low	86 Å²	86	121 Å²	121	60%	0.601	63%	0.632	S	S	*	*			trans	-127.7	78.7	170.3	-60	0	0	0	0	110.7	A166	S164-A166 PolarHBondContact O-N 3.06Å
165	P	48.2	Very low	53.4	Low	102 Å²	102	119 Å²	119	66%	0.662	62%	0.62	S	S	*	*			trans	-77.7	87	-172.5	-12.6	30.8	0	0	0	112.1	L167	P165-L167 PolarHBondContact O-N 2.98Å
166	A	45.6	Very low	55	Low	64 Å²	64	119.4 Å²	119.4	53%	0.529	61%	0.614	S	S	.	*			trans	-64.3	104.1	161.1	0	0	0	0	0	108.5	S164 K168 R169	S164-A166 PolarHBondContact O-N 3.06Å; A166-K168 PolarHBondContact O-N 3.4Å; A166-R169 WeakPolarHBondContact O-CB 3.29Å; A166-R169 PolarHBondContact O-N 3.36Å
167	L	52.4	Low	56.7	Low	124 Å²	124	119.2 Å²	119.2	65%	0.649	61%	0.612	S	S	*	*	H	α-helix	trans	-40.1	-43.6	-169.2	-172.9	63.2	0	0	0	114.6	P165 R169 S170 D171	P165-L167 PolarHBondContact O-N 2.98Å; L167-R169 VanDerWaalsContact C-N 3.28Å; L167-R169 PolarHBondContact O-N 2.9Å; L167-S170 PolarHBondContact O-N 3.11Å; L167-S170 PolarHBondContact O-OG 2.75Å; L167-D171 VanDerWaalsContact O-CG 3.23Å; L167-D171 PolarHBondContact O-N 3.2Å; L167-D171 VanDerWaalsContact O-N 3.15Å
168	K	57.2	Low	58.2	Low	182 Å²	182	116.9 Å²	116.9	79%	0.791	60%	0.599	S	S	*	*	H	α-helix	trans	-69.6	-16.2	-178.1	-59.4	-178.5	-179.5	179.5	0	114.5	A166	A166-K168 PolarHBondContact O-N 3.4Å
169	R	50.3	Low	59.6	Low	199 Å²	199	111.4 Å²	111.4	75%	0.751	58%	0.575	S	S	*	*	H	α-helix	trans	-86.2	-38.9	171.8	-94.2	-174	179.1	142.6	-0	112.6	A166 L167 D171 Y172 M173	A166-R169 WeakPolarHBondContact O-CB 3.29Å; A166-R169 PolarHBondContact O-N 3.36Å; L167-R169 VanDerWaalsContact C-N 3.28Å; L167-R169 PolarHBondContact O-N 2.9Å; R169-D171 VanDerWaalsContact C-N 3.3Å; R169-Y172 PolarHBondContact O-N 2.9Å; R169-M173 WeakPolarHBondContact O-CG 3.27Å; R169-M173 PolarHBondContact O-N 3.01Å
170	S	61.2	Low	60.6	Low	51 Å²	51	109.6 Å²	109.6	36%	0.357	56%	0.564	S	S	.	*	H	α-helix	trans	-60.7	-42.6	172.9	31.5	0	0	0	0	110.7	L167 M173 A174	L167-S170 PolarHBondContact O-N 3.11Å; L167-S170 PolarHBondContact O-OG 2.75Å; S170-M173 PolarHBondContact O-N 3.29Å; S170-A174 VanDerWaalsContact O-CB 3.25Å; S170-A174 WeakPolarHBondContact O-CB 3.35Å; S170-A174 PolarHBondContact O-N 3.04Å
171	D	68.2	Low	61.9	Low	94 Å²	94	112.2 Å²	112.2	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-64.2	-43.5	178.6	-59.7	-19.2	0	0	0	112.2	L167 R169 M173 A174 Q175	L167-D171 VanDerWaalsContact O-CG 3.23Å; L167-D171 PolarHBondContact O-N 3.2Å; L167-D171 VanDerWaalsContact O-N 3.15Å; R169-D171 VanDerWaalsContact C-N 3.3Å; D171-M173 PolarHBondContact O-N 3.37Å; D171-A174 PolarHBondContact O-N 3.33Å; D171-Q175 WeakPolarHBondContact O-CB 3.39Å; D171-Q175 PolarHBondContact O-N 3.31Å
172	Y	73.7	Confident	63.2	Low	133 Å²	133	112.4 Å²	112.4	52%	0.522	56%	0.555	S	S	.	*	H	α-helix	trans	-62.3	-42.1	175.4	176	-94.2	0	0	0	112.2	R169 R176	R169-Y172 PolarHBondContact O-N 2.9Å; Y172-R176 VanDerWaalsContact O-CB 3.28Å; Y172-R176 WeakPolarHBondContact O-CB 3.34Å; Y172-R176 PolarHBondContact O-N 3.44Å; Y172-R176 PolarHBondContact OH-NH1 2.9Å
173	M	56	Low	64.5	Low	101 Å²	101	112.6 Å²	112.6	50%	0.498	55%	0.551	S	S	.	*	H	α-helix	trans	-72.9	-36.2	177.7	-69.6	-59.4	178	0	0	112.4	R169 S170 D171 R176 L177	R169-M173 WeakPolarHBondContact O-CG 3.27Å; R169-M173 PolarHBondContact O-N 3.01Å; S170-M173 PolarHBondContact O-N 3.29Å; D171-M173 PolarHBondContact O-N 3.37Å; M173-R176 PolarHBondContact O-N 3.03Å; M173-L177 VanDerWaalsContact O-CB 3.29Å; M173-L177 WeakPolarHBondContact O-CB 3.42Å; M173-L177 WeakPolarHBondContact O-CG 3.49Å; M173-L177 PolarHBondContact O-N 3.19Å
174	A	74.5	Confident	65.3	Low	57 Å²	57	113.5 Å²	113.5	47%	0.471	55%	0.553	S	S	.	*	H	α-helix	trans	-63.3	-43.7	172.9	0	0	0	0	0	111.3	S170 D171 L177 K178	S170-A174 VanDerWaalsContact O-CB 3.25Å; S170-A174 WeakPolarHBondContact O-CB 3.35Å; S170-A174 PolarHBondContact O-N 3.04Å; D171-A174 PolarHBondContact O-N 3.33Å; A174-L177 PolarHBondContact O-N 2.82Å; A174-K178 VanDerWaalsContact O-CB 3.26Å; A174-K178 WeakPolarHBondContact O-CB 3.47Å; A174-K178 PolarHBondContact O-N 3.07Å
175	Q	74.1	Confident	66.2	Low	101 Å²	101	115.5 Å²	115.5	47%	0.472	55%	0.553	S	S	.	*	H	α-helix	trans	-63.4	-45.8	173.4	-173.1	61.1	52.8	0	0	111.1	D171 L177 K178 D179	D171-Q175 WeakPolarHBondContact O-CB 3.39Å; D171-Q175 PolarHBondContact O-N 3.31Å; Q175-L177 VanDerWaalsContact C-N 3.34Å; Q175-L177 PolarHBondContact O-N 2.92Å; Q175-K178 CarbonylContact O-C 2.91Å; Q175-K178 WeakPolarHBondContact O-CB 3.48Å; Q175-K178 PolarHBondContact O-N 2.91Å; Q175-K178 VanDerWaalsContact O-N 3.12Å; Q175-D179 PolarHBondContact NE2-OD1 2.87Å; Q175-D179 PolarHBondContact O-N 3.11Å
176	R	77.8	Confident	66.7	Low	134 Å²	134	116.4 Å²	116.4	51%	0.506	55%	0.552	S	S	.	*	H	α-helix	trans	-62.4	-37.6	177.2	-174.2	174.4	178.5	136.4	-4.5	113	Y172 M173 M180	Y172-R176 VanDerWaalsContact O-CB 3.28Å; Y172-R176 WeakPolarHBondContact O-CB 3.34Å; Y172-R176 PolarHBondContact O-N 3.44Å; Y172-R176 PolarHBondContact OH-NH1 2.9Å; M173-R176 PolarHBondContact O-N 3.03Å; R176-M180 WeakPolarHBondContact O-CB 2.96Å; R176-M180 WeakPolarHBondContact O-CG 3.44Å; R176-M180 PolarHBondContact O-N 2.88Å
177	L	82.1	Confident	67.2	Low	120 Å²	120	119.3 Å²	119.3	63%	0.628	56%	0.558	S	S	*	*	H	α-helix	trans	-69.4	-36.7	173.3	-74.8	167.2	0	0	0	111.6	M173 A174 Q175 M180 K181	M173-L177 VanDerWaalsContact O-CB 3.29Å; M173-L177 WeakPolarHBondContact O-CB 3.42Å; M173-L177 WeakPolarHBondContact O-CG 3.49Å; M173-L177 PolarHBondContact O-N 3.19Å; A174-L177 PolarHBondContact O-N 2.82Å; Q175-L177 VanDerWaalsContact C-N 3.34Å; Q175-L177 PolarHBondContact O-N 2.92Å; L177-M180 PolarHBondContact O-N 2.92Å; L177-K181 VanDerWaalsContact O-CB 3.3Å; L177-K181 WeakPolarHBondContact O-CB 3.48Å; L177-K181 PolarHBondContact O-N 3.4Å
178	K	80.9	Confident	67	Low	134 Å²	134	118.2 Å²	118.2	58%	0.583	56%	0.56	S	S	*	*	H	α-helix	trans	-65.1	-48	174	-168.8	177.5	-179.3	-177	0	111.3	A174 Q175 M180 K181 E182	A174-K178 VanDerWaalsContact O-CB 3.26Å; A174-K178 WeakPolarHBondContact O-CB 3.47Å; A174-K178 PolarHBondContact O-N 3.07Å; Q175-K178 CarbonylContact O-C 2.91Å; Q175-K178 WeakPolarHBondContact O-CB 3.48Å; Q175-K178 PolarHBondContact O-N 2.91Å; Q175-K178 VanDerWaalsContact O-N 3.12Å; K178-M180 VanDerWaalsContact C-N 3.28Å; K178-M180 PolarHBondContact O-N 3.47Å; K178-K181 PolarHBondContact O-N 3.29Å; K178-K181 VanDerWaalsContact O-N 3.15Å; K178-E182 VanDerWaalsContact O-CB 3.29Å; K178-E182 WeakPolarHBondContact O-CB 3.44Å; K178-E182 PolarHBondContact O-N 2.98Å
179	D	79.2	Confident	66.4	Low	59 Å²	59	115.3 Å²	115.3	32%	0.316	56%	0.56	S	S	.	*	H	α-helix	trans	-57	-39.4	172.2	-74.5	28	0	0	0	112.1	Q175 K183	Q175-D179 PolarHBondContact NE2-OD1 2.87Å; Q175-D179 PolarHBondContact O-N 3.11Å; D179-K183 WeakPolarHBondContact O-CB 3.45Å; D179-K183 WeakPolarHBondContact O-CD 3.37Å; D179-K183 WeakPolarHBondContact O-CG 3.28Å; D179-K183 PolarHBondContact O-N 2.93Å
180	M	70.1	Confident	66	Low	96 Å²	96	112 Å²	112	47%	0.473	56%	0.562	S	S	.	*	H	α-helix	trans	-74.5	-32	177	-76.7	-171.3	70.5	0	0	113.2	R176 L177 K178 R184	R176-M180 WeakPolarHBondContact O-CB 2.96Å; R176-M180 WeakPolarHBondContact O-CG 3.44Å; R176-M180 PolarHBondContact O-N 2.88Å; L177-M180 PolarHBondContact O-N 2.92Å; K178-M180 VanDerWaalsContact C-N 3.28Å; K178-M180 PolarHBondContact O-N 3.47Å; M180-R184 WeakPolarHBondContact O-CG 3.28Å; M180-R184 PolarHBondContact O-N 3.44Å
181	K	75.4	Confident	64.5	Low	121 Å²	121	113.5 Å²	113.5	53%	0.526	58%	0.578	S	S	.	*	H	α-helix	trans	-70.6	-46.7	173	178.7	172.9	172.3	174.2	0	110.6	L177 K178 K183 R184 E185	L177-K181 VanDerWaalsContact O-CB 3.3Å; L177-K181 WeakPolarHBondContact O-CB 3.48Å; L177-K181 PolarHBondContact O-N 3.4Å; K178-K181 PolarHBondContact O-N 3.29Å; K178-K181 VanDerWaalsContact O-N 3.15Å; K181-K183 VanDerWaalsContact C-N 3.27Å; K181-K183 PolarHBondContact O-N 3.48Å; K181-R184 CarbonylContact O-C 3.59Å; K181-R184 WeakPolarHBondContact O-CA 3.44Å; K181-R184 WeakPolarHBondContact O-CB 3.5Å; K181-R184 PolarHBondContact O-N 2.89Å; K181-E185 WeakPolarHBondContact CE-OE1 3.44Å; K181-E185 HydrophobicContact CG-CG 4.36Å; K181-E185 IonicContact NZ-OE1 2.64Å; K181-E185 PolarHBondContact O-N 3.19Å
182	E	70.8	Confident	63.1	Low	103 Å²	103	113.7 Å²	113.7	48%	0.481	59%	0.587	S	S	.	*	H	α-helix	trans	-58.4	-38.4	174.3	-178.2	171.1	-173.4	0	0	111.6	K178 R184 E185 N186	K178-E182 VanDerWaalsContact O-CB 3.29Å; K178-E182 WeakPolarHBondContact O-CB 3.44Å; K178-E182 PolarHBondContact O-N 2.98Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 PolarHBondContact O-N 3.42Å; E182-E185 PolarHBondContact O-N 3.22Å; E182-N186 VanDerWaalsContact CG-ND2 3.27Å; E182-N186 WeakPolarHBondContact CG-ND2 3.42Å; E182-N186 WeakPolarHBondContact O-CB 3.32Å; E182-N186 PolarHBondContact O-N 3.44Å; E182-N186 PolarHBondContact O-ND2 3Å
183	K	70.5	Confident	61.4	Low	141 Å²	141	115.6 Å²	115.6	61%	0.613	60%	0.6	S	S	*	*	H	α-helix	trans	-70.6	-15	172.7	-75.8	165.7	-173.7	160.1	0	114.7	D179 K181 I187	D179-K183 WeakPolarHBondContact O-CB 3.45Å; D179-K183 WeakPolarHBondContact O-CD 3.37Å; D179-K183 WeakPolarHBondContact O-CG 3.28Å; D179-K183 PolarHBondContact O-N 2.93Å; K181-K183 VanDerWaalsContact C-N 3.27Å; K181-K183 PolarHBondContact O-N 3.48Å; K183-I187 VanDerWaalsContact O-CD1 3.29Å; K183-I187 WeakPolarHBondContact O-CD1 3.31Å; K183-I187 WeakPolarHBondContact O-CG1 3.29Å
184	R	63.8	Low	60.4	Low	182 Å²	182	116.8 Å²	116.8	69%	0.687	61%	0.613	S	S	*	*	H	α-helix	trans	-91.6	-36.5	170.4	-71.1	170.8	176.6	179.7	-1.8	111.6	M180 K181 E182 I187	M180-R184 WeakPolarHBondContact O-CG 3.28Å; M180-R184 PolarHBondContact O-N 3.44Å; K181-R184 CarbonylContact O-C 3.59Å; K181-R184 WeakPolarHBondContact O-CA 3.44Å; K181-R184 WeakPolarHBondContact O-CB 3.5Å; K181-R184 PolarHBondContact O-N 2.89Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 PolarHBondContact O-N 3.42Å; R184-I187 PolarHBondContact O-N 2.89Å
185	E	59.2	Low	58.4	Low	127 Å²	127	118 Å²	118	59%	0.593	62%	0.623	S	S	*	*	H	α-helix	trans	-76.5	-26.6	179.3	-69	176.2	156.6	0	0	113	K181 E182 I187	K181-E185 WeakPolarHBondContact CE-OE1 3.44Å; K181-E185 HydrophobicContact CG-CG 4.36Å; K181-E185 IonicContact NZ-OE1 2.64Å; K181-E185 PolarHBondContact O-N 3.19Å; E182-E185 PolarHBondContact O-N 3.22Å; E185-I187 PolarHBondContact O-N 3.41Å
186	N	58.4	Low	56.4	Low	121 Å²	121	120.2 Å²	120.2	65%	0.647	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	2.5	169.8	-76.1	-75.9	0	0	0	113.9	E182	E182-N186 VanDerWaalsContact CG-ND2 3.27Å; E182-N186 WeakPolarHBondContact CG-ND2 3.42Å; E182-N186 WeakPolarHBondContact O-CB 3.32Å; E182-N186 PolarHBondContact O-N 3.44Å; E182-N186 PolarHBondContact O-ND2 3Å
187	I	55.3	Low	54.1	Low	126 Å²	126	118.1 Å²	118.1	65%	0.646	64%	0.643	S	S	*	*	S	Bend	trans	-98.6	113.9	166.9	-61.3	170.7	0	0	0	106.6	K183 R184 E185 P189	K183-I187 VanDerWaalsContact O-CD1 3.29Å; K183-I187 WeakPolarHBondContact O-CD1 3.31Å; K183-I187 WeakPolarHBondContact O-CG1 3.29Å; R184-I187 PolarHBondContact O-N 2.89Å; E185-I187 PolarHBondContact O-N 3.41Å; I187-P189 WeakPolarHBondContact O-CD 3.48Å
188	S	47.4	Very low	51.5	Low	101 Å²	101	118.2 Å²	118.2	71%	0.706	65%	0.653	S	S	*	*			trans	-57.9	124.4	-165.8	-54.4	0	0	0	0	114	T190	S188-T190 PolarHBondContact O-N 3.45Å
189	P	46.3	Very low	49.4	Very low	120 Å²	120	116.8 Å²	116.8	78%	0.779	66%	0.66	S	S	*	*			trans	-78.1	85.6	168.4	31.6	-33.1	0	0	0	110.2	I187	I187-P189 WeakPolarHBondContact O-CD 3.48Å
190	T	42.1	Very low	48	Very low	129 Å²	129	119 Å²	119	79%	0.791	68%	0.678	S	S	*	*			trans	-80.5	119.9	160.6	-65.1	0	0	0	0	108.5	S188	S188-T190 PolarHBondContact O-N 3.45Å
191	A	29	Very low	46	Very low	84 Å²	84	120 Å²	120	69%	0.694	69%	0.689	S	S	*	*			trans	67.6	149.1	-179	0	0	0	0	0	115.3
192	S	39.1	Very low	43.8	Very low	98 Å²	98	118.8 Å²	118.8	69%	0.685	70%	0.696	S	S	*	*			cis	-170.5	151.2	-19.1	47.8	0	0	0	0	111.6
193	H	37	Very low	41.8	Very low	172 Å²	172	122 Å²	122	80%	0.796	72%	0.716	S	S	*	*			trans	72.4	149.4	154.3	-84.4	-134.1	0	0	0	120.3
194	V	35.2	Very low	40	Very low	127 Å²	127	124.7 Å²	124.7	77%	0.77	73%	0.727	S	S	*	*			trans	52.5	117.4	166.8	-62.8	0	0	0	0	117.3
195	A	33.7	Very low	39.6	Very low	83 Å²	83	121.1 Å²	121.1	69%	0.686	73%	0.727	S	S	*	*				72.9	141.3	63.6	0	0	0	0	0	112.3
196	D	31.9	Very low	38.1	Very low	147 Å²	147	119.4 Å²	119.4	79%	0.786	73%	0.73	S	S	*	*			cis	-153	170.1	7.4	-140.7	-32.8	0	0	0	113.6
197	S	29.7	Very low	36.8	Very low	89 Å²	89	122.2 Å²	122.2	62%	0.622	74%	0.744	S	S	*	*			trans	53.6	127.4	147.7	69.1	0	0	0	0	122.6
198	C	26.9	Very low	35.4	Very low	123 Å²	123	119.6 Å²	119.6	83%	0.831	75%	0.748	S	S	*	*				68	107.3	129.7	-62.9	0	0	0	0	121.9
199	S	36.2	Very low	34.9	Very low	104 Å²	104	119.7 Å²	119.7	73%	0.727	75%	0.748	S	S	*	*			trans	-62.9	175.8	131	62.1	0	0	0	0	110.5
200	P	50.5	Low	34.2	Very low	106 Å²	106	120 Å²	120	69%	0.688	75%	0.749	S	S	*	*			cis	-152.4	-162.1	28.3	36	-8.9	0	0	0	117.5
201	T	28	Very low	34.8	Very low	115 Å²	115	118.8 Å²	118.8	71%	0.706	74%	0.743	S	S	*	*			trans	72.3	99.2	148.3	30.8	0	0	0	0	121.8
202	S	28.7	Very low	35.1	Very low	97 Å²	97	119.9 Å²	119.9	68%	0.678	74%	0.741	S	S	*	*				74.1	156.2	114.9	71.9	0	0	0	0	122.7
203	L	29.9	Very low	34.6	Very low	171 Å²	171	124 Å²	124	90%	0.895	75%	0.747	S	S	*	*			trans	93.7	120.3	164.5	-54.2	-176.6	0	0	0	118.7
204	K	32	Very low	34.3	Very low	197 Å²	197	122.7 Å²	122.7	86%	0.857	75%	0.745	S	S	*	*			trans	-56.4	173.3	156.9	-78.6	-179.6	177.4	-175.6	0	112.9
205	P	55.5	Low	34.6	Very low	106 Å²	106	124.2 Å²	124.2	69%	0.688	74%	0.741	S	S	*	*			cis	-138.8	-164.6	-20.1	31.5	-8.5	0	0	0	113.8
206	S	27.5	Very low	34.6	Very low	92 Å²	92	129 Å²	129	64%	0.643	75%	0.747	S	S	*	*			trans	73.3	124.3	139.7	59.3	0	0	0	0	121.9
207	L	30.1	Very low	35.2	Very low	179 Å²	179	127.3 Å²	127.3	94%	0.937	74%	0.737	S	S	*	*			trans	56.1	123.7	139.8	-58.2	172.1	0	0	0	119.1
208	G	26	Very low	35.6	Very low	72 Å²	72	127.5 Å²	127.5	74%	0.742	74%	0.738	S	S	*	*			trans	173.9	45.1	169	0	0	0	0	0	120.7
209	S	37.8	Very low	36.4	Very low	102 Å²	102	128.5 Å²	128.5	71%	0.713	74%	0.735	S	S	*	*			trans	53.1	126.9	137.9	-50.1	0	0	0	0	122.7
210	T	32.2	Very low	36.7	Very low	128 Å²	128	130.4 Å²	130.4	79%	0.785	74%	0.737	S	S	*	*				75.7	164.2	127.6	60.2	0	0	0	0	121
211	P	53.3	Low	36.2	Very low	103 Å²	103	130.8 Å²	130.8	67%	0.669	74%	0.737	S	S	*	*			cis	-149.3	-171.4	-41.3	41.1	-22.5	0	0	0	116.9
212	T	35.9	Very low	36.8	Very low	107 Å²	107	129.8 Å²	129.8	66%	0.656	74%	0.735	S	S	*	*				103.1	129.1	126	-81.7	0	0	0	0	125.2
213	F	28.6	Very low	37.4	Very low	183 Å²	183	131.7 Å²	131.7	80%	0.803	74%	0.738	S	S	*	*			trans	98.6	132.6	142.6	-87.1	-29.5	0	0	0	127.8
214	L	30.4	Very low	37.9	Very low	145 Å²	145	131.3 Å²	131.3	76%	0.759	73%	0.731	S	S	*	*			trans	74.4	91.8	141.2	-65.3	179.1	0	0	0	125.6
215	K	42.3	Very low	38.6	Very low	160 Å²	160	125.3 Å²	125.3	70%	0.696	72%	0.718	S	S	*	*				-0.9	140.4	124.9	-177.3	179.4	-177.6	177	0	121.3
216	F	33	Very low	37.6	Very low	183 Å²	183	129.7 Å²	129.7	80%	0.803	73%	0.727	S	S	*	*				168	175.7	129.9	-108.5	-98.6	0	0	0	109.3
217	I	44.9	Very low	37.9	Very low	111 Å²	111	131.4 Å²	131.4	57%	0.569	73%	0.733	S	S	*	*				-156.8	-179.2	-81.2	-103.8	167	0	0	0	108.6
218	S	38.7	Very low	38.2	Very low	94 Å²	94	127 Å²	127	66%	0.657	72%	0.723	S	S	*	*			trans	90.5	145.1	166.7	-65.8	0	0	0	0	119.6
219	D	42.1	Very low	38.4	Very low	143 Å²	143	132 Å²	132	77%	0.765	73%	0.727	S	S	*	*			cis	-176.7	171.4	-13.9	-90.2	-24.5	0	0	0	107.4
220	D	42.9	Very low	39.5	Very low	145 Å²	145	132.5 Å²	132.5	78%	0.775	73%	0.727	S	S	*	*			cis	-175.3	-164.6	-20.8	179.9	32.3	0	0	0	108.6
221	V	39.4	Very low	39.2	Very low	113 Å²	113	130.3 Å²	130.3	69%	0.685	73%	0.73	S	S	*	*			trans	108.9	114.5	148.2	-179.1	0	0	0	0	122.2
222	S	40.7	Very low	37.8	Very low	95 Å²	95	129.3 Å²	129.3	66%	0.664	74%	0.739	S	S	*	*			trans	57.3	150.9	141.7	-66.5	0	0	0	0	126.3
223	D	42.3	Very low	37.4	Very low	136 Å²	136	129.7 Å²	129.7	73%	0.727	75%	0.746	S	S	*	*			cis	-166	153.4	-7.6	-102	7.1	0	0	0	113.7
224	E	40.9	Very low	38.5	Very low	164 Å²	164	126.9 Å²	126.9	77%	0.766	75%	0.746	S	S	*	*			trans	45.7	162.4	148.2	-57	-59.8	103.1	0	0	125.2
225	A	46	Very low	38.7	Very low	70 Å²	70	123.9 Å²	123.9	58%	0.579	74%	0.742	S	S	*	*			cis	-174	165.8	-43.6	0	0	0	0	0	114.7
226	F	34.1	Very low	38.4	Very low	198 Å²	198	123.6 Å²	123.6	87%	0.868	74%	0.741	S	S	*	*			trans	93.1	138.1	150.8	-89.1	-74.4	0	0	0	127.4
227	V	35.1	Very low	38.3	Very low	129 Å²	129	121 Å²	121	78%	0.782	73%	0.731	S	S	*	*			trans	89.1	100.2	156.6	-155.7	0	0	0	0	124.6
228	A	35.8	Very low	37.6	Very low	87 Å²	87	123.5 Å²	123.5	72%	0.719	74%	0.741	S	S	*	*			trans	47.7	129.3	135.1	0	0	0	0	0	127.5
229	E	29.3	Very low	37.1	Very low	177 Å²	177	125 Å²	125	83%	0.827	74%	0.737	S	S	*	*				37.8	155.4	126.1	-69	-84.6	98.6	0	0	123.4
230	P	62.3	Low	36.4	Very low	111 Å²	111	127.8 Å²	127.8	72%	0.721	74%	0.737	S	S	*	*			cis	-143.8	178.7	-35.3	39.2	-21.8	0	0	0	115.8
231	G	24.3	Very low	35.5	Very low	82 Å²	82	125 Å²	125	85%	0.845	73%	0.729	S	S	*	*			trans	154.4	127.3	147.4	0	0	0	0	0	118.2
232	G	23.9	Very low	34.8	Very low	83 Å²	83	123.4 Å²	123.4	86%	0.856	72%	0.723	S	S	*	*			trans	103.5	58	148	0	0	0	0	0	120.4
233	S	27.8	Very low	34.1	Very low	114 Å²	114	126 Å²	126	80%	0.797	73%	0.73	S	S	*	*			trans	-75	-172.3	153.6	-28.2	0	0	0	0	110.8
234	P	51.8	Low	33.5	Very low	125 Å²	125	126.8 Å²	126.8	81%	0.812	73%	0.734	S	S	*	*			cis	-119	-150.3	-14.7	29	-4.4	0	0	0	109.3
235	A	35.3	Very low	32.9	Very low	82 Å²	82	126.5 Å²	126.5	68%	0.678	73%	0.732	S	S	*	*			cis	-179	159.9	29.3	0	0	0	0	0	107.1
236	K	36.3	Very low	32.2	Very low	153 Å²	153	128.8 Å²	128.8	67%	0.665	74%	0.735	S	S	*	*			cis	-152.3	127.4	-5.8	-109.5	-170.5	179.1	-70.3	0	106.6
237	E	30.4	Very low	32	Very low	129 Å²	129	126.2 Å²	126.2	60%	0.603	73%	0.725	S	S	*	*				76.6	124.8	104.5	-71.7	168.6	-152.3	0	0	114.5
238	E	30.5	Very low	31.4	Very low	164 Å²	164	126.3 Å²	126.3	77%	0.766	72%	0.721	S	S	*	*				74.8	148.7	55.3	-66.8	178.9	161.7	0	0	112
239	E	28.7	Very low	30.9	Very low	125 Å²	125	129.8 Å²	129.8	58%	0.584	73%	0.727	S	S	*	*			cis	-152.9	-163.6	0.3	-126	-178.7	139.2	0	0	106.5
240	R	25.9	Very low	30.5	Very low	201 Å²	201	126.6 Å²	126.6	76%	0.758	72%	0.724	S	S	*	*			cis	-158.1	-177.3	5.1	-133	165.9	-158	157.2	28.1	106.9
241	S	24.2	Very low	28.9	Very low	88 Å²	88	124.7 Å²	124.7	62%	0.615	73%	0.725	S	S	*	*			cis	-158.8	166.4	1.5	53.6	0	0	0	0	110.5
242	S	25.4	Very low	29.1	Very low	79 Å²	79	131.4 Å²	131.4	55%	0.552	72%	0.724	S	S	*	*			trans	47.2	125.2	141	64.3	0	0	0	0	120.7
243	D	25.7	Very low	29.3	Very low	150 Å²	150	132.8 Å²	132.8	80%	0.802	71%	0.712	S	S	*	*				64.4	142.9	81.6	-39.8	-45.2	0	0	0	112.3
244	D	29.9	Very low	29.4	Very low	151 Å²	151	132.4 Å²	132.4	81%	0.807	71%	0.709	S	S	*	*			cis	-152.7	-170.2	26.7	-141.4	-34.4	0	0	0	112.7
245	E	28.5	Very low	28.1	Very low	159 Å²	159	132.3 Å²	132.3	74%	0.743	71%	0.707	S	S	*	*			trans	-60.6	176.8	178.8	-83.6	-80.9	-170.7	0	0	117.4
246	D	30.2	Very low	27.7	Very low	118 Å²	118	135.9 Å²	135.9	63%	0.631	71%	0.707	S	S	*	*				105.4	144.3	127.5	-105.6	-15	0	0	0	126.7
247	H	30.4	Very low	27.7	Very low	143 Å²	143	134.5 Å²	134.5	66%	0.662	71%	0.714	S	S	*	*			trans	57	113.4	141.9	-77.9	24.8	0	0	0	124.8
248	N	22.9	Very low	27.4	Very low	131 Å²	131	137.1 Å²	137.1	70%	0.701	72%	0.718	S	S	*	*				37.7	124.9	112	-70.6	-55.3	0	0	0	122.6
249	L	24.4	Very low	27.2	Very low	161 Å²	161	136.3 Å²	136.3	84%	0.843	72%	0.719	S	S	*	*			trans	68.4	159.3	147.9	-57.1	167.2	0	0	0	118.4
250	S	22.8	Very low	27.2	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	73%	0.726	S	S	*	*			cis	-171.4	135	-36.6	59.9	0	0	0	0	111.6
251	G	27.8	Very low	27.8	Very low	71 Å²	71	131.1 Å²	131.1	73%	0.732	72%	0.724	S	S	*	*			trans	147.9	123.7	171.3	0	0	0	0	0	111.8
252	R	27.7	Very low	27.8	Very low	223 Å²	223	131.8 Å²	131.8	84%	0.842	73%	0.727	S	S	*	*				68.5	136.8	72.4	-82	-171.2	174.2	-117.4	14.5	114.2
253	D	28.6	Very low	27.7	Very low	112 Å²	112	136 Å²	136	60%	0.599	74%	0.738	S	S	*	*			cis	-146.6	165.3	19.2	-118.5	-29.1	0	0	0	114.7
254	S	30.9	Very low	27.4	Very low	106 Å²	106	134.9 Å²	134.9	74%	0.741	73%	0.733	S	S	*	*			trans	57.6	131.9	162.1	-57.1	0	0	0	0	119.7
255	T	23.5	Very low	27.4	Very low	124 Å²	124	133.8 Å²	133.8	76%	0.761	73%	0.731	S	S	*	*			cis	-149.6	129.1	15.5	-28	0	0	0	0	106.7
256	K	28.1	Very low	27.9	Very low	157 Å²	157	130.8 Å²	130.8	68%	0.683	73%	0.726	S	S	*	*				37.7	142	84.8	-70.6	177.3	176.4	175.6	0	114.2
257	P	36	Very low	27.6	Very low	124 Å²	124	134 Å²	134	81%	0.805	73%	0.734	S	S	*	*			cis	-115.4	178.9	9.8	11.6	13.4	0	0	0	113.8
258	W	22.9	Very low	27.4	Very low	184 Å²	184	132.1 Å²	132.1	70%	0.697	74%	0.737	S	S	*	*			cis	-179.2	165	-37.3	-113.4	109.8	0	0	0	107.5
259	L	26	Very low	27.5	Very low	147 Å²	147	130.6 Å²	130.6	77%	0.77	74%	0.736	S	S	*	*			trans	67.4	120.1	152.8	-73	173.3	0	0	0	121.3
260	S	30.4	Very low	27.6	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	73%	0.73	S	S	*	*			trans	-59.8	167.5	141.5	-17.2	0	0	0	0	110.9
261	P	36.8	Very low	27.7	Very low	111 Å²	111	131.1 Å²	131.1	72%	0.721	73%	0.726	S	S	*	*			cis	-155.8	-163.8	41.6	44.2	-21.2	0	0	0	116.8
262	C	24	Very low	27.7	Very low	101 Å²	101	134 Å²	134	68%	0.682	73%	0.725	S	S	*	*			trans	55.1	136	145.6	-69.3	0	0	0	0	123.7
263	Q	24.3	Very low	27.7	Very low	167 Å²	167	130.3 Å²	130.3	78%	0.78	72%	0.717	S	S	*	*			trans	67	148.1	134.8	-71.6	178.7	-54.2	0	0	122.4
264	D	20.4	Very low	27.7	Very low	128 Å²	128	129.8 Å²	129.8	68%	0.684	71%	0.711	S	S	*	*			trans	25.2	115.1	148.8	-59.2	-73.1	0	0	0	122
265	V	28.1	Very low	27.7	Very low	127 Å²	127	129.9 Å²	129.9	77%	0.77	71%	0.707	S	S	*	*				32.4	124.6	106.5	174.8	0	0	0	0	116.1
266	P	39.7	Very low	28	Very low	97 Å²	97	130.3 Å²	130.3	63%	0.63	70%	0.698	S	S	*	*			cis	-154.8	-166.1	42.3	40	-16.8	0	0	0	118.3
267	K	24.3	Very low	27.9	Very low	184 Å²	184	129 Å²	129	80%	0.8	69%	0.692	S	S	*	*			trans	76.2	114.3	147.6	-84.2	170.9	-169.8	173.8	0	118.7
268	S	25	Very low	27.4	Very low	104 Å²	104	129.4 Å²	129.4	73%	0.727	69%	0.692	S	S	*	*				86.2	144.7	76.9	77.7	0	0	0	0	112.6
269	S	26.4	Very low	27.5	Very low	99 Å²	99	129.3 Å²	129.3	69%	0.692	70%	0.697	S	S	*	*			cis	-153.7	-173	33.1	46.7	0	0	0	0	110.8
270	L	25.4	Very low	27.4	Very low	134 Å²	134	131.3 Å²	131.3	70%	0.702	70%	0.699	S	S	*	*			cis	-151.5	156.2	30.3	-75.1	165.8	0	0	0	113.5
271	H	25.7	Very low	27.3	Very low	148 Å²	148	134.4 Å²	134.4	69%	0.685	70%	0.702	S	S	*	*			trans	55.8	128.1	154.8	-61.5	-45.6	0	0	0	120.4
272	D	26.7	Very low	26.8	Very low	132 Å²	132	139.1 Å²	139.1	71%	0.706	71%	0.705	S	S	*	*			cis	95.4	141.5	38.7	-68.8	-33.1	0	0	0	112.5
273	E	28.3	Very low	26.8	Very low	145 Å²	145	142.1 Å²	142.1	68%	0.678	71%	0.707	S	S	*	*			cis	-125.9	146.3	-2.1	-99.1	-121.1	125.6	0	0	110.4
274	E	29.5	Very low	26.8	Very low	100 Å²	100	138.9 Å²	138.9	47%	0.467	70%	0.702	S	S	.	*				52.5	132.2	94.9	-122.1	-160.7	-138.1	0	0	116	K276 K277	E274-K276 WeakPolarHBondContact OE2-CE 3.25Å; E274-K276 WeakPolarHBondContact OE2-CG 3.44Å; E274-K276 IonicContact OE2-NZ 3.02Å; E274-K276 PolarHBondContact OE2-NZ 3.13Å; E274-K277 IonicContact OE1-NZ 3.22Å; E274-K277 PolarHBondContact OE1-NZ 2.94Å; E274-K277 IonicContact OE2-NZ 2.56Å; E274-K277 PolarHBondContact OE2-NZ 3.34Å
275	V	31.1	Very low	27.1	Very low	109 Å²	109	144.1 Å²	144.1	66%	0.661	71%	0.712	S	S	*	*				-179.8	142.3	86.5	155.2	0	0	0	0	108.9
276	K	29	Very low	26.9	Very low	132 Å²	132	149.4 Å²	149.4	57%	0.574	72%	0.719	S	S	*	*			cis	-155.6	138	-15.9	-102.1	173.2	-176.8	58	0	110.1	E274	E274-K276 WeakPolarHBondContact OE2-CE 3.25Å; E274-K276 WeakPolarHBondContact OE2-CG 3.44Å; E274-K276 IonicContact OE2-NZ 3.02Å; E274-K276 PolarHBondContact OE2-NZ 3.13Å
277	K	25.4	Very low	26.2	Very low	131 Å²	131	152.1 Å²	152.1	57%	0.57	73%	0.727	S	S	*	*			trans	43.2	117.5	133.5	-55.4	174.7	176.3	97.3	0	118.8	E274	E274-K277 IonicContact OE1-NZ 3.22Å; E274-K277 PolarHBondContact OE1-NZ 2.94Å; E274-K277 IonicContact OE2-NZ 2.56Å; E274-K277 PolarHBondContact OE2-NZ 3.34Å
278	V	25.8	Very low	26.2	Very low	132 Å²	132	148.5 Å²	148.5	80%	0.8	73%	0.725	S	S	*	*			cis	71.6	126.9	43.1	-175.4	0	0	0	0	115.4
279	K	25.2	Very low	26.2	Very low	182 Å²	182	149.3 Å²	149.3	79%	0.791	73%	0.725	S	S	*	*			trans	165	152.1	139.8	-91.4	160.2	-173.7	179	0	111.7
280	K	24.5	Very low	26.1	Very low	188 Å²	188	155.5 Å²	155.5	82%	0.817	73%	0.734	S	S	*	*			cis	-167.2	153.6	-25.3	-154.5	172	-174.7	171.5	0	109.7
281	Q	27.9	Very low	26.3	Very low	172 Å²	172	158.1 Å²	158.1	80%	0.804	74%	0.739	S	S	*	*			trans	-67.3	152.1	164.6	-61.5	174.1	-22.3	0	0	112.4
282	R	26	Very low	26.5	Very low	210 Å²	210	159 Å²	159	79%	0.792	74%	0.741	S	S	*	*				171.2	150.1	114.7	-101.3	-180	155.1	-176	-5.1	117
283	K	24.5	Very low	26.6	Very low	164 Å²	164	156.9 Å²	156.9	71%	0.713	74%	0.737	S	S	*	*			trans	75	106.9	140.9	-79.5	-176.6	173.9	-170.2	0	122.9
284	S	24.3	Very low	26.8	Very low	98 Å²	98	154.5 Å²	154.5	69%	0.685	74%	0.736	S	S	*	*				70.7	131.7	117.9	71.7	0	0	0	0	124.5
285	R	26.5	Very low	26.8	Very low	238 Å²	238	156.5 Å²	156.5	90%	0.898	75%	0.746	S	S	*	*			trans	55.9	110.1	144	-69	177.9	168.4	-178.4	-4.4	119.2
286	R	24.2	Very low	26.6	Very low	239 Å²	239	157.7 Å²	157.7	90%	0.902	75%	0.753	S	S	*	*				176.6	156.6	110.4	-99.1	174.7	179.5	-178.1	1.1	116
287	L	24.8	Very low	26.6	Very low	153 Å²	153	158.1 Å²	158.1	80%	0.801	76%	0.76	S	S	*	*			trans	-18	129.2	158	-59.3	158.7	0	0	0	120.2
288	S	24.7	Very low	26.9	Very low	108 Å²	108	163.1 Å²	163.1	76%	0.755	78%	0.775	S	S	*	*				60.8	156	113.2	-150.8	0	0	0	0	124.1
289	V	24	Very low	27.2	Very low	122 Å²	122	162.1 Å²	162.1	74%	0.739	77%	0.774	S	S	*	*			trans	85.1	86	159.8	-161.6	0	0	0	0	121.2
290	R	23.9	Very low	27.1	Very low	229 Å²	229	157 Å²	157	86%	0.864	77%	0.774	S	S	*	*				38.5	115.8	113.8	-174.2	-160.3	-169.7	-173	6.6	121.5
291	K	29.6	Very low	27.5	Very low	188 Å²	188	155 Å²	155	82%	0.817	77%	0.772	S	S	*	*				-174.7	135.8	123.5	-100.7	175.9	179.8	179.7	0	109.2
292	K	30.6	Very low	27.5	Very low	166 Å²	166	155.6 Å²	155.6	72%	0.722	77%	0.772	S	S	*	*				58.5	142.2	89.2	-82.2	-148.3	169.3	-142.7	0	114.5	E295	K292-E295 IonicContact NZ-OE1 3.55Å; K292-E295 PolarHBondContact NZ-OE1 3.38Å; K292-E295 IonicContact NZ-OE2 2.57Å
293	S	29.2	Very low	27.8	Very low	89 Å²	89	149.8 Å²	149.8	62%	0.622	76%	0.764	S	S	*	*			cis	-151.5	173.7	31	58.6	0	0	0	0	117.8
294	S	31.3	Very low	27.9	Very low	95 Å²	95	150.1 Å²	150.1	66%	0.664	77%	0.768	S	S	*	*			trans	85.1	121	135.5	54.1	0	0	0	0	125.4
295	E	30.3	Very low	28.2	Very low	142 Å²	142	150.3 Å²	150.3	66%	0.664	77%	0.77	S	S	*	*			cis	-147.3	-76.5	-32.7	-136.3	81	-154.5	0	0	115.4	K292	K292-E295 IonicContact NZ-OE1 3.55Å; K292-E295 PolarHBondContact NZ-OE1 3.38Å; K292-E295 IonicContact NZ-OE2 2.57Å
296	T	27.3	Very low	28.8	Very low	133 Å²	133	144.5 Å²	144.5	82%	0.816	76%	0.762	S	S	*	*			cis	-143.9	-114.3	-4.1	-177.4	0	0	0	0	114.6
297	I	28.8	Very low	29	Very low	142 Å²	142	138.8 Å²	138.8	73%	0.728	75%	0.754	S	S	*	*			trans	-125.8	126.8	-157.2	-71.7	171.2	0	0	0	118.3
298	R	30.7	Very low	29.2	Very low	235 Å²	235	139.8 Å²	139.8	89%	0.887	76%	0.755	S	S	*	*			trans	38.6	155.6	138.6	-72.7	-174.9	175.7	-170	-2.5	124.2
299	S	32.8	Very low	29.3	Very low	111 Å²	111	142 Å²	142	78%	0.776	76%	0.758	S	S	*	*			cis	-166.7	142.2	1.4	34.7	0	0	0	0	116.6
300	G	24.3	Very low	29.7	Very low	76 Å²	76	142.6 Å²	142.6	78%	0.784	76%	0.762	S	S	*	*			trans	85.3	154.6	136.1	0	0	0	0	0	121.3
301	D	32.8	Very low	30.5	Very low	146 Å²	146	137 Å²	137	78%	0.781	76%	0.755	S	S	*	*			cis	-165.7	-179.1	-25.7	-146.5	-20.8	0	0	0	112.4
302	F	27.8	Very low	30.4	Very low	183 Å²	183	132.9 Å²	132.9	80%	0.803	75%	0.75	S	S	*	*			trans	77.4	105.4	179.2	-59.6	-83.6	0	0	0	115.5
303	S	31.2	Very low	30.2	Very low	89 Å²	89	134.7 Å²	134.7	62%	0.622	76%	0.758	S	S	*	*			cis	91.7	142	43.5	80.9	0	0	0	0	112.8
304	Q	28	Very low	30.1	Very low	170 Å²	170	135.9 Å²	135.9	79%	0.794	77%	0.767	S	S	*	*			cis	-137.8	145.3	15.4	-65.4	171	-10.2	0	0	108.1
305	S	29.7	Very low	29.9	Very low	103 Å²	103	139.8 Å²	139.8	72%	0.72	77%	0.774	S	S	*	*			cis	74.7	157.6	45.6	88.2	0	0	0	0	115.1
306	P	39.4	Very low	29.8	Very low	115 Å²	115	139.6 Å²	139.6	75%	0.747	78%	0.776	S	S	*	*			cis	-107	-141.2	-22.4	16.6	8.2	0	0	0	110.5
307	V	28.9	Very low	29.6	Very low	119 Å²	119	140.6 Å²	140.6	72%	0.721	78%	0.776	S	S	*	*			cis	-148.4	117.4	6.4	-179.4	0	0	0	0	112.3
308	Q	27.4	Very low	29.5	Very low	175 Å²	175	142.1 Å²	142.1	82%	0.818	78%	0.779	S	S	*	*			trans	37.2	128.3	137.6	-50.1	-176.2	20.5	0	0	125.6
309	D	27.4	Very low	29.3	Very low	155 Å²	155	139.5 Å²	139.5	83%	0.829	77%	0.774	S	S	*	*			trans	-73.4	169	145.7	-60.7	-81.7	0	0	0	113
310	T	32.1	Very low	29	Very low	134 Å²	134	140.3 Å²	140.3	82%	0.822	77%	0.766	S	S	*	*			trans	-173.1	162.9	137.1	19.8	0	0	0	0	112
311	P	42.1	Very low	29.1	Very low	110 Å²	110	145.4 Å²	145.4	71%	0.714	76%	0.762	S	S	*	*			trans	-139.6	-169.7	-135.1	38.4	-15.9	0	0	0	117.4
312	S	25.8	Very low	29	Very low	103 Å²	103	147.1 Å²	147.1	72%	0.72	76%	0.757	S	S	*	*			trans	115.8	102.1	144.2	-53.9	0	0	0	0	120.7
313	K	26.5	Very low	29.3	Very low	203 Å²	203	145.3 Å²	145.3	88%	0.883	75%	0.751	S	S	*	*				37.6	113.7	129.4	-61.7	178.5	178.3	177.3	0	121.4
314	S	27.3	Very low	29.3	Very low	115 Å²	115	145.7 Å²	145.7	80%	0.804	75%	0.754	S	S	*	*				-175.1	123.3	115.6	33.8	0	0	0	0	109
315	Q	28.3	Very low	29.3	Very low	176 Å²	176	146.6 Å²	146.6	82%	0.822	76%	0.758	S	S	*	*				89	135.6	73	-129.9	-169.9	12.7	0	0	114.1
316	I	26.4	Very low	29.2	Very low	139 Å²	139	144.7 Å²	144.7	71%	0.713	75%	0.754	S	S	*	*			trans	93.8	127.9	155.4	-64.8	161.7	0	0	0	120.8
317	L	24.3	Very low	28.9	Very low	153 Å²	153	148.8 Å²	148.8	80%	0.801	76%	0.76	S	S	*	*			trans	82.2	149.8	156.7	-117.8	66.8	0	0	0	124.7
318	H	27.1	Very low	29.5	Very low	174 Å²	174	148.7 Å²	148.7	81%	0.806	76%	0.762	S	S	*	*			trans	-80.4	167.5	-179	-49.7	-112.1	0	0	0	113
319	K	26.5	Very low	29.5	Very low	180 Å²	180	146.7 Å²	146.7	78%	0.783	76%	0.762	S	S	*	*				164	152	104.9	-172.2	165.4	175.1	-179.4	0	113.6
320	E	26.3	Very low	29.4	Very low	129 Å²	129	149.7 Å²	149.7	60%	0.603	76%	0.762	S	S	*	*			trans	22.1	128.6	162.5	-73.1	-171.4	97.6	0	0	122.2
321	R	26.5	Very low	29.2	Very low	183 Å²	183	149.6 Å²	149.6	69%	0.691	76%	0.761	S	S	*	*				81.4	134.7	63.9	-168.5	-154.1	-179.7	176	5.2	113.5
322	R	30.8	Very low	28.7	Very low	181 Å²	181	151.3 Å²	151.3	68%	0.683	76%	0.763	S	S	*	*			trans	89.9	150.5	169.9	-62.3	-164.9	-172.8	-115.1	15.7	117
323	Q	33.3	Very low	29.2	Very low	145 Å²	145	152.3 Å²	152.3	68%	0.678	77%	0.767	S	S	*	*			cis	-170.9	179.1	-27.6	-157.3	159.5	-0.6	0	0	109.9
324	S	31.3	Very low	29.6	Very low	98 Å²	98	151.3 Å²	151.3	69%	0.685	76%	0.763	S	S	*	*			trans	76.3	147.8	170.9	86	0	0	0	0	115.8
325	H	28.9	Very low	29.7	Very low	189 Å²	189	154.1 Å²	154.1	88%	0.875	76%	0.763	S	S	*	*			cis	-133.3	-171.4	-3.5	-99.7	-63.5	0	0	0	108.7
326	G	27.5	Very low	29.6	Very low	62 Å²	62	150.9 Å²	150.9	64%	0.639	76%	0.76	S	S	*	*			cis	179.4	-173.2	2.8	0	0	0	0	0	110.6
327	K	32.1	Very low	29.8	Very low	201 Å²	201	152.4 Å²	152.4	87%	0.874	76%	0.764	S	S	*	*			trans	-155.1	156.2	175.6	-80.1	-165.4	-176	178.5	0	113.2
328	P	42.3	Very low	29.9	Very low	117 Å²	117	150 Å²	150	76%	0.76	75%	0.752	S	S	*	*				-118.4	-143.7	121.8	-8.1	29.3	0	0	0	113.5
329	T	26.1	Very low	30	Very low	133 Å²	133	149.4 Å²	149.4	82%	0.816	75%	0.747	S	S	*	*				-176.6	142.2	-79.2	-73.8	0	0	0	0	108.9
330	R	25.3	Very low	30.3	Very low	218 Å²	218	147 Å²	147	82%	0.823	74%	0.742	S	S	*	*			cis	-174.3	137.4	-16	168.7	-178.7	169.1	-133.1	-0.6	110.7
331	V	28	Very low	30.4	Very low	132 Å²	132	148.8 Å²	148.8	80%	0.8	75%	0.748	S	S	*	*			trans	82.6	154.9	155.1	158.5	0	0	0	0	122.5
332	L	32.8	Very low	30.5	Very low	147 Å²	147	147 Å²	147	77%	0.77	75%	0.75	S	S	*	*			trans	-83.4	164.3	178.4	-96.3	148.5	0	0	0	113.7
333	P	36.4	Very low	31.3	Very low	124 Å²	124	143.7 Å²	143.7	81%	0.805	75%	0.753	S	S	*	*				-152.8	-163.5	96.2	41	-21.4	0	0	0	115.6
334	K	34.1	Very low	31	Very low	182 Å²	182	142.5 Å²	142.5	79%	0.791	76%	0.755	S	S	*	*			trans	-119.9	170.3	174.3	-73.6	-177.5	174.4	-179.2	0	111.7
335	E	28.6	Very low	30.9	Very low	174 Å²	174	146.9 Å²	146.9	81%	0.813	76%	0.761	S	S	*	*			trans	110.9	148	145.8	-53.9	-151.3	143.7	0	0	121.3
336	S	28.1	Very low	31.1	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	75%	0.751	S	S	*	*			trans	60.9	111.2	153.5	59.8	0	0	0	0	124.4
337	E	29.9	Very low	32.2	Very low	172 Å²	172	147 Å²	147	80%	0.804	75%	0.752	S	S	*	*				74.3	131.9	120.6	-64	-143.6	145.3	0	0	126.7
338	N	26.6	Very low	32	Very low	103 Å²	103	141.5 Å²	141.5	55%	0.551	74%	0.739	S	S	*	*			trans	81.9	115.3	131	-84.8	-41.8	0	0	0	125.6
339	K	29.8	Very low	31.5	Very low	160 Å²	160	141.5 Å²	141.5	70%	0.696	74%	0.737	S	S	*	*				95.3	120	122.9	-78.7	167.4	-174.8	159.7	0	125
340	L	31	Very low	31.8	Very low	129 Å²	129	142.1 Å²	142.1	68%	0.675	74%	0.735	S	S	*	*			trans	74.2	155.3	134	-61.1	169.6	0	0	0	118.7
341	K	28.8	Very low	31.9	Very low	167 Å²	167	137 Å²	137	73%	0.726	73%	0.729	S	S	*	*			cis	-153	149.5	2.2	-107.8	148.9	-179.8	178	0	107.7
342	I	29.7	Very low	32	Very low	146 Å²	146	139.4 Å²	139.4	75%	0.749	73%	0.728	S	S	*	*				63.6	140	69	-64.3	171.9	0	0	0	112.8
343	P	47.5	Very low	31.9	Very low	112 Å²	112	137 Å²	137	73%	0.727	72%	0.724	S	S	*	*			cis	-126.8	-163.6	24.2	26.1	1	0	0	0	114.5
344	V	26.6	Very low	31.5	Very low	120 Å²	120	139.9 Å²	139.9	73%	0.727	73%	0.726	S	S	*	*			cis	-160.4	119.3	47.4	166	0	0	0	0	108.8
345	K	29.9	Very low	31.3	Very low	189 Å²	189	137.1 Å²	137.1	82%	0.822	73%	0.725	S	S	*	*				59.9	149.1	94.9	-83	-174.1	-178.4	-179.1	0	115.7
346	K	31.6	Very low	31.1	Very low	153 Å²	153	133.8 Å²	133.8	67%	0.665	72%	0.72	S	S	*	*			cis	-166.3	-173.5	-24.6	-128.4	-140.3	133.9	-161.6	0	105.2	S348	K346-S348 PolarHBondContact NZ-O 3.19Å
347	P	50.7	Low	32.2	Very low	100 Å²	100	133.6 Å²	133.6	65%	0.649	72%	0.717	S	S	*	*			cis	-91	-129.7	7	41.1	-32.6	0	0	0	111.3
348	S	27.9	Very low	32	Very low	87 Å²	87	132.5 Å²	132.5	61%	0.608	72%	0.717	S	S	*	*			cis	-111.6	-149.9	9.8	-56.3	0	0	0	0	112.6	K346	K346-S348 PolarHBondContact NZ-O 3.19Å
349	T	33.4	Very low	32	Very low	117 Å²	117	131.7 Å²	131.7	72%	0.718	72%	0.724	S	S	*	*			trans	-166.7	149.6	-153.4	26.8	0	0	0	0	107
350	D	30.6	Very low	31.9	Very low	145 Å²	145	130.1 Å²	130.1	78%	0.775	73%	0.727	S	S	*	*			cis	-155.6	-161.2	-5.9	-149.1	-128.3	0	0	0	106.5
351	T	27.3	Very low	31.8	Very low	111 Å²	111	132.7 Å²	132.7	68%	0.681	73%	0.733	S	S	*	*			cis	-155.4	-157.7	10.9	-159.8	0	0	0	0	113.5
352	K	30.7	Very low	31.7	Very low	182 Å²	182	129.1 Å²	129.1	79%	0.791	73%	0.729	S	S	*	*			trans	-35	149.7	176	-72.6	-179.6	179.5	178.5	0	117.7
353	S	30.3	Very low	31.6	Very low	96 Å²	96	129.5 Å²	129.5	67%	0.671	73%	0.732	S	S	*	*			cis	-172.6	144.9	-6.3	45	0	0	0	0	113.5
354	Q	28.9	Very low	30.5	Very low	185 Å²	185	130.1 Å²	130.1	86%	0.864	73%	0.729	S	S	*	*			trans	50.5	149.1	148.2	-63.2	-166.8	-1.4	0	0	120.3
355	V	29.2	Very low	30.5	Very low	125 Å²	125	133.4 Å²	133.4	76%	0.758	73%	0.728	S	S	*	*			cis	-152.3	168	-12.1	125.2	0	0	0	0	108.2
356	S	24.8	Very low	30.4	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	73%	0.727	S	S	*	*			trans	-86.3	-176.2	-173.7	61.9	0	0	0	0	114
357	P	50.8	Low	30.7	Very low	104 Å²	104	132.2 Å²	132.2	68%	0.675	73%	0.73	S	S	*	*			cis	-138.7	-164.7	2.4	41.9	-21.7	0	0	0	116.6
358	N	26.1	Very low	29.7	Very low	149 Å²	149	133 Å²	133	80%	0.797	74%	0.738	S	S	*	*			trans	85.7	99.4	157.1	-72.2	-5.7	0	0	0	123.3
359	A	27	Very low	29.7	Very low	85 Å²	85	134 Å²	134	70%	0.702	75%	0.745	S	S	*	*				71.6	118	104.1	0	0	0	0	0	123.9
360	V	28.3	Very low	29.5	Very low	127 Å²	127	132.6 Å²	132.6	77%	0.77	75%	0.746	S	S	*	*			trans	70.7	133.8	146.6	-114.8	0	0	0	0	124.7
361	K	28.2	Very low	29.5	Very low	184 Å²	184	131.9 Å²	131.9	80%	0.8	75%	0.747	S	S	*	*			trans	68.2	96.5	142.1	-88	166.4	-177.3	178.4	0	122.7
362	S	26	Very low	29.7	Very low	91 Å²	91	132.5 Å²	132.5	64%	0.636	75%	0.75	S	S	*	*				56.2	132	110.9	69.1	0	0	0	0	123.7
363	L	28	Very low	29.6	Very low	155 Å²	155	129.8 Å²	129.8	81%	0.812	75%	0.748	S	S	*	*			trans	68	148.4	164.6	-81.8	73.7	0	0	0	114.5
364	N	24.6	Very low	29.4	Very low	124 Å²	124	136.8 Å²	136.8	66%	0.663	76%	0.76	S	S	*	*			cis	-167.5	167.8	39.7	-135.9	-24.6	0	0	0	113.7
365	R	26.2	Very low	29.3	Very low	190 Å²	190	132.5 Å²	132.5	72%	0.717	76%	0.756	S	S	*	*			trans	48	131.6	146.3	-77.5	176.5	-178.3	-135.6	-0.9	124.3
366	R	28.3	Very low	29.1	Very low	212 Å²	212	130.3 Å²	130.3	80%	0.8	75%	0.752	S	S	*	*			trans	65.4	171.5	131.1	-69.6	-167.4	172.2	-169.2	-4.2	119.1
367	S	38.5	Very low	29.2	Very low	104 Å²	104	131.9 Å²	131.9	73%	0.727	76%	0.757	S	S	*	*			cis	-175.2	134.4	-39.7	-84.4	0	0	0	0	109.6
368	S	28.3	Very low	28	Very low	117 Å²	117	135.4 Å²	135.4	82%	0.818	76%	0.764	S	S	*	*			trans	-170.3	155.3	173.5	43.8	0	0	0	0	111.2
369	S	29.1	Very low	28.2	Very low	108 Å²	108	134.9 Å²	134.9	76%	0.755	77%	0.767	S	S	*	*			cis	-170.5	130.3	-22.4	49.1	0	0	0	0	112.6
370	A	29.4	Very low	29.1	Very low	88 Å²	88	135.5 Å²	135.5	73%	0.727	76%	0.764	S	S	*	*			trans	55.9	148.5	141.3	0	0	0	0	0	124.9
371	T	29.6	Very low	29	Very low	130 Å²	130	136.3 Å²	136.3	80%	0.798	76%	0.764	S	S	*	*			trans	73.6	152.4	148.2	17.3	0	0	0	0	119.8
372	V	31	Very low	29	Very low	123 Å²	123	136.5 Å²	136.5	75%	0.745	77%	0.765	S	S	*	*			cis	-149.2	165	3.1	-151.9	0	0	0	0	111.4
373	V	28.3	Very low	29.1	Very low	125 Å²	125	137.5 Å²	137.5	76%	0.758	77%	0.771	S	S	*	*			trans	66.7	122.8	162.8	-165.6	0	0	0	0	116.5
374	R	27.7	Very low	29.1	Very low	243 Å²	243	134.6 Å²	134.6	92%	0.917	77%	0.77	S	S	*	*				64.4	157.9	68.3	-103.6	-175.6	168	177.9	-4.1	113.9
375	A	25.5	Very low	29.5	Very low	95 Å²	95	134.5 Å²	134.5	79%	0.785	78%	0.776	S	S	*	*			cis	-131.9	-140	7.3	0	0	0	0	0	113.6
376	A	26.5	Very low	29.6	Very low	80 Å²	80	129.7 Å²	129.7	66%	0.661	78%	0.777	S	S	*	*			trans	-159.5	164.6	-163.9	0	0	0	0	0	114.5
377	T	26.2	Very low	29.4	Very low	136 Å²	136	128.5 Å²	128.5	83%	0.834	78%	0.778	S	S	*	*			trans	63	156.8	153.7	44.7	0	0	0	0	118.5
378	E	25.7	Very low	28.9	Very low	177 Å²	177	133.3 Å²	133.3	83%	0.827	79%	0.786	S	S	*	*			cis	-131.7	-168.9	10.4	-72.4	-169.4	143.2	0	0	113
379	T	30	Very low	28.8	Very low	138 Å²	138	132.5 Å²	132.5	85%	0.847	78%	0.776	S	S	*	*			trans	-126.5	-112	168.3	56	0	0	0	0	109.9
380	P	45.6	Very low	28.6	Very low	99 Å²	99	135.8 Å²	135.8	64%	0.643	78%	0.779	S	S	*	*			cis	-119.5	174.9	-31.8	41.5	-28.5	0	0	0	113.4
381	N	26.4	Very low	28.3	Very low	144 Å²	144	137.1 Å²	137.1	77%	0.77	78%	0.782	S	S	*	*			trans	-168.7	137.1	138.7	-108.8	-60.7	0	0	0	114.9
382	K	28.1	Very low	28	Very low	188 Å²	188	143 Å²	143	82%	0.817	79%	0.789	S	S	*	*			trans	15.3	144.8	156.4	-62.5	173.4	-176.5	176.8	0	121.2
383	S	28.5	Very low	27.8	Very low	111 Å²	111	143.1 Å²	143.1	78%	0.776	79%	0.79	S	S	*	*			cis	-173.4	146	-14	46.1	0	0	0	0	109.2
384	A	26.7	Very low	27.9	Very low	95 Å²	95	143 Å²	143	79%	0.785	79%	0.792	S	S	*	*			trans	-77.5	163.4	-178.9	0	0	0	0	0	112.7
385	P	34.5	Very low	27.8	Very low	122 Å²	122	141.2 Å²	141.2	79%	0.792	79%	0.791	S	S	*	*				-148.4	157.3	68.2	40	-20.9	0	0	0	118.7
386	A	27	Very low	27.9	Very low	89 Å²	89	146.3 Å²	146.3	74%	0.736	80%	0.795	S	S	*	*			trans	43.3	146.6	139.4	0	0	0	0	0	124.9
387	K	25.6	Very low	27.8	Very low	186 Å²	186	145.7 Å²	145.7	81%	0.809	79%	0.79	S	S	*	*			trans	77.1	109	157.7	-63.6	179.2	-177.7	177.3	0	120.4
388	K	27.6	Very low	27.9	Very low	206 Å²	206	147.7 Å²	147.7	90%	0.896	78%	0.783	S	S	*	*			trans	-125.3	115.2	131.5	-69.4	-179	-178.7	175.9	0	104.6
389	T	26.5	Very low	28	Very low	99 Å²	99	146.5 Å²	146.5	61%	0.607	78%	0.781	S	S	*	*			cis	60.2	93.8	38.8	-16.1	0	0	0	0	108.9
390	E	23.9	Very low	27.9	Very low	178 Å²	178	143.8 Å²	143.8	83%	0.832	77%	0.767	S	S	*	*				41.8	110.1	86.3	-72.8	-155.6	113	0	0	113.4
391	C	22.7	Very low	27.1	Very low	115 Å²	115	148.1 Å²	148.1	78%	0.777	78%	0.777	S	S	*	*				166.3	109.4	117.3	-91.4	0	0	0	0	111.1
392	R	24.7	Very low	27.3	Very low	255 Å²	255	146 Å²	146	96%	0.962	77%	0.773	S	S	*	*			trans	-152.3	99.8	139.7	-114.2	173.6	-167.8	-160.9	2.1	111.6
393	T	25.7	Very low	27.4	Very low	124 Å²	124	141.1 Å²	141.1	76%	0.761	77%	0.768	S	S	*	*			trans	-73.7	175.7	168	48.8	0	0	0	0	111.8
394	P	31.1	Very low	27.2	Very low	123 Å²	123	143.9 Å²	143.9	80%	0.799	77%	0.773	S	S	*	*			cis	-132.8	-177.2	-27.8	28.3	-6.9	0	0	0	113.5
395	K	26.2	Very low	27.3	Very low	206 Å²	206	144.5 Å²	144.5	90%	0.896	77%	0.767	S	S	*	*			trans	-69.2	133.3	-179.9	-58.6	163.8	-178.6	174.1	0	114.1
396	K	26.4	Very low	27	Very low	201 Å²	201	148.6 Å²	148.6	87%	0.874	77%	0.767	S	S	*	*			trans	-90.9	125	139.4	-75.8	177.7	179.3	172.7	0	106.5
397	A	24.3	Very low	27	Very low	67 Å²	67	149.7 Å²	149.7	55%	0.554	77%	0.769	S	S	*	*				46.4	128.1	103.9	0	0	0	0	0	113.6
398	R	28.3	Very low	27.1	Very low	179 Å²	179	149.8 Å²	149.8	68%	0.675	77%	0.769	S	S	*	*			cis	-156.1	156.2	40.7	-174.1	175.9	-179.9	175.2	-2	111.5
399	L	28	Very low	27.2	Very low	152 Å²	152	146.3 Å²	146.3	80%	0.796	77%	0.766	S	S	*	*			trans	-102.5	156	166.6	-94.1	171.5	0	0	0	109.9
400	S	28.8	Very low	27.3	Very low	80 Å²	80	148 Å²	148	56%	0.559	78%	0.776	S	S	*	*			trans	68.7	147.4	157.6	77.7	0	0	0	0	117.8
401	F	29.1	Very low	27.9	Very low	191 Å²	191	145.3 Å²	145.3	84%	0.838	77%	0.773	S	S	*	*			cis	-139.8	178.4	15.9	-108.7	-58.5	0	0	0	115
402	S	29.8	Very low	28	Very low	98 Å²	98	145.7 Å²	145.7	69%	0.685	78%	0.778	S	S	*	*			trans	-33.8	167.9	164.3	39.5	0	0	0	0	118.6
403	A	29.4	Very low	28.1	Very low	87 Å²	87	140.5 Å²	140.5	72%	0.719	76%	0.764	S	S	*	*			cis	-175	172	-15.1	0	0	0	0	0	109.7
404	L	24.9	Very low	28.1	Very low	168 Å²	168	141 Å²	141	88%	0.88	77%	0.772	S	S	*	*			trans	169.9	155.9	150.1	-111.7	88.3	0	0	0	107.6
405	V	29	Very low	28	Very low	108 Å²	108	142.4 Å²	142.4	66%	0.655	77%	0.765	S	S	*	*			cis	-164.6	160.9	-31.8	107.6	0	0	0	0	109.9
406	R	28.8	Very low	28	Very low	209 Å²	209	139.5 Å²	139.5	79%	0.789	76%	0.759	S	S	*	*			trans	56.5	115.3	165.3	-84.7	175.1	174	106.3	1.1	120
407	S	26.6	Very low	28	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	76%	0.758	S	S	*	*			trans	-63.7	157.4	140.3	43.9	0	0	0	0	111.6
408	F	26.3	Very low	28.1	Very low	187 Å²	187	137.8 Å²	137.8	82%	0.82	77%	0.768	S	S	*	*			trans	-109.4	138.7	170.9	-82.9	-90.4	0	0	0	111.5
409	T	29.9	Very low	28.1	Very low	134 Å²	134	135.2 Å²	135.2	82%	0.822	78%	0.777	S	S	*	*			trans	-138.5	125.8	167.6	49.8	0	0	0	0	108.4
410	V	29.7	Very low	28.1	Very low	135 Å²	135	133.6 Å²	133.6	82%	0.818	78%	0.778	S	S	*	*			trans	-147.8	158.5	176	-98.7	0	0	0	0	108.8
411	P	36	Very low	28	Very low	120 Å²	120	134.2 Å²	134.2	78%	0.779	78%	0.783	S	S	*	*			trans	-124.6	-171.7	-133.9	43.6	-32.5	0	0	0	113.9
412	S	25.5	Very low	28.1	Very low	124 Å²	124	131.4 Å²	131.4	87%	0.867	78%	0.782	S	S	*	*			trans	-155.5	127.1	146.8	-127.6	0	0	0	0	110.9
413	E	26	Very low	28	Very low	146 Å²	146	134.6 Å²	134.6	68%	0.682	79%	0.791	S	S	*	*			trans	-85.9	152.7	166.3	-73.1	-170.4	91	0	0	110.5	K415	E413-K415 WeakPolarHBondContact OE1-CE 3.39Å; E413-K415 IonicContact OE1-NZ 3.89Å; E413-K415 PolarHBondContact OE1-NZ 3.38Å
414	C	25.3	Very low	28	Very low	135 Å²	135	133.6 Å²	133.6	91%	0.912	79%	0.789	S	S	*	*			trans	-151.1	107	147.7	-129.5	0	0	0	0	111.3
415	K	30.3	Very low	28.3	Very low	152 Å²	152	129.5 Å²	129.5	66%	0.661	79%	0.787	S	S	*	*			trans	-82.3	160.4	162	-71.1	164.4	179.6	133.8	0	107.6	E413	E413-K415 WeakPolarHBondContact OE1-CE 3.39Å; E413-K415 IonicContact OE1-NZ 3.89Å; E413-K415 PolarHBondContact OE1-NZ 3.38Å
416	N	26.5	Very low	28.6	Very low	145 Å²	145	131 Å²	131	78%	0.775	80%	0.797	S	S	*	*			cis	-162.9	-169.7	4	-126.4	-2.8	0	0	0	109.9
417	V	26.2	Very low	29	Very low	139 Å²	139	128 Å²	128	84%	0.842	80%	0.796	S	S	*	*			trans	106.6	127.9	159.6	-176.2	0	0	0	0	115.1
418	A	26.4	Very low	29.5	Very low	93 Å²	93	128.2 Å²	128.2	77%	0.769	79%	0.793	S	S	*	*			trans	-130.2	154.8	174.7	0	0	0	0	0	109.9
419	S	28.4	Very low	30.2	Very low	124 Å²	124	128.7 Å²	128.7	87%	0.867	80%	0.795	S	S	*	*			trans	-152.4	153.2	163.1	-83.3	0	0	0	0	110.2
420	S	26.5	Very low	30.8	Very low	118 Å²	118	130.2 Å²	130.2	83%	0.825	79%	0.793	S	S	*	*			trans	-73.9	169.8	178.5	51.2	0	0	0	0	112
421	S	26.6	Very low	31.8	Very low	94 Å²	94	126.1 Å²	126.1	66%	0.657	77%	0.766	S	S	*	*			cis	-168.2	167.1	38.9	53.2	0	0	0	0	114.1
422	T	31.1	Very low	32.1	Very low	131 Å²	131	126.6 Å²	126.6	80%	0.804	75%	0.753	S	S	*	*			trans	18.5	141.5	145	60.2	0	0	0	0	119.8
423	D	28.8	Very low	33.2	Very low	166 Å²	166	123.7 Å²	123.7	89%	0.888	73%	0.725	S	S	*	*			cis	-155.5	157.6	15.9	-159.6	19.3	0	0	0	105.5
424	G	29.3	Very low	34.2	Very low	66 Å²	66	118.9 Å²	118.9	68%	0.68	71%	0.708	S	S	*	*			cis	141.8	129.1	39.8	0	0	0	0	0	106
425	G	31	Very low	35	Very low	81 Å²	81	118.5 Å²	118.5	84%	0.835	70%	0.704	S	S	*	*			trans	162	104.5	-173.7	0	0	0	0	0	112.6
426	T	34.6	Very low	35.6	Very low	140 Å²	140	116.2 Å²	116.2	86%	0.859	71%	0.707	S	S	*	*			trans	-100.7	123.7	-167.3	51.4	0	0	0	0	113.2
427	D	38	Very low	36.3	Very low	145 Å²	145	114.1 Å²	114.1	78%	0.775	70%	0.696	S	S	*	*			trans	-150	119.6	137.5	-159.4	1.8	0	0	0	108.6
428	V	37.7	Very low	37.2	Very low	118 Å²	118	115.3 Å²	115.3	72%	0.715	69%	0.692	S	S	*	*			trans	-129.1	100.7	-168.9	-178.9	0	0	0	0	110	E430	V428-E430 PolarHBondContact O-N 3.47Å
429	F	41.4	Very low	37.6	Very low	196 Å²	196	120.8 Å²	120.8	86%	0.86	70%	0.698	S	S	*	*			trans	-78.5	111.2	164.8	-94	-99.7	0	0	0	109.9	D431	F429-D431 PolarHBondContact O-N 2.82Å
430	E	41	Very low	37.9	Very low	166 Å²	166	125.9 Å²	125.9	78%	0.776	70%	0.699	S	S	*	*			trans	-71.8	112.9	173.5	-72.8	-167.9	113.9	0	0	111.5	V428 Y432	V428-E430 PolarHBondContact O-N 3.47Å; E430-Y432 PolarHBondContact O-N 3.04Å; E430-Y432 VanDerWaalsContact O-N 3.09Å
431	D	50.6	Low	38.2	Very low	49 Å²	49	126.4 Å²	126.4	26%	0.262	70%	0.699	S	S	.	*			trans	-81	84	170.5	-172	-8.9	0	0	0	110.8	F429 F433 S434 N437 R666	F429-D431 PolarHBondContact O-N 2.82Å; D431-F433 PolarHBondContact O-N 3.14Å; D431-F433 PolarHBondContact OD1-N 2.93Å; D431-S434 PolarHBondContact OD1-N 3.19Å; D431-S434 PolarHBondContact OD2-OG 2.89Å; D431-N437 PolarHBondContact O-ND2 2.9Å; D431-R666 IonicContact OD2-CZ 3.76Å; D431-R666 IonicContact OD2-NH1 2.73Å; D431-R666 PolarHBondContact OD2-NH1 3.39Å
432	Y	42.7	Very low	38.4	Very low	130 Å²	130	128.3 Å²	128.3	51%	0.51	71%	0.707	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.5	-12.3	-178.5	-149.3	-91.6	0	0	0	114	E430 Q743	E430-Y432 PolarHBondContact O-N 3.04Å; E430-Y432 VanDerWaalsContact O-N 3.09Å; Y432-Q743 HydrophobicContact CD1-CB 4.44Å; Y432-Q743 HydrophobicContact CE1-CB 4.06Å; Y432-Q743 HydrophobicContact CE1-CG 4.44Å; Y432-Q743 VanDerWaalsContact CE1-OE1 3.26Å; Y432-Q743 VanDerWaalsContact CZ-OE1 3.3Å
433	F	48.2	Very low	38.3	Very low	63 Å²	63	129.8 Å²	129.8	28%	0.276	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107	1.9	-173.8	-68	-76.2	0	0	0	114.4	D431 P744 L791	D431-F433 PolarHBondContact O-N 3.14Å; D431-F433 PolarHBondContact OD1-N 2.93Å; F433-P744 HydrophobicContact CZ-CB 4.11Å; F433-P744 HydrophobicContact CZ-CG 4.24Å; F433-L791 HydrophobicContact CD1-CD1 3.97Å; F433-L791 HydrophobicContact CE1-CD1 3.62Å
434	S	48	Very low	38.5	Very low	45 Å²	45	127.6 Å²	127.6	32%	0.315	70%	0.703	S	S	.	*			trans	-71.4	129.8	172.1	-90.9	0	0	0	0	112.1	D431 S436 N437	D431-S434 PolarHBondContact OD1-N 3.19Å; D431-S434 PolarHBondContact OD2-OG 2.89Å; S434-S436 PolarHBondContact O-N 3.38Å; S434-N437 PolarHBondContact O-N 3.43Å
435	P	42	Very low	38.5	Very low	127 Å²	127	129.5 Å²	129.5	83%	0.825	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-57.9	-15.7	-178.1	-28	35.6	0	0	0	116.3	N437	P435-N437 VanDerWaalsContact C-N 3.26Å; P435-N437 PolarHBondContact O-N 2.88Å
436	S	42.7	Very low	38.3	Very low	105 Å²	105	134.4 Å²	134.4	73%	0.734	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-69.8	-14.5	-176.2	-49.6	0	0	0	0	114.9	S434 H438	S434-S436 PolarHBondContact O-N 3.38Å; S436-H438 VanDerWaalsContact C-N 3.34Å; S436-H438 PolarHBondContact O-N 3.08Å
437	N	42	Very low	38	Very low	101 Å²	101	135.4 Å²	135.4	54%	0.54	71%	0.707	S	S	.	*	G	3₁₀ helix	trans	-88.4	18.2	-165.3	-72.9	-26	0	0	0	115.5	D431 S434 P435	D431-N437 PolarHBondContact O-ND2 2.9Å; S434-N437 PolarHBondContact O-N 3.43Å; P435-N437 VanDerWaalsContact C-N 3.26Å; P435-N437 PolarHBondContact O-N 2.88Å
438	H	44.5	Very low	37.5	Very low	163 Å²	163	135.5 Å²	135.5	76%	0.755	71%	0.712	S	S	*	*			trans	-120.4	85.6	-178.7	-68.2	-11.1	0	0	0	112.8	S436 R440	S436-H438 VanDerWaalsContact C-N 3.34Å; S436-H438 PolarHBondContact O-N 3.08Å; H438-R440 PolarHBondContact O-N 2.94Å
439	K	35.4	Very low	37	Very low	208 Å²	208	137.9 Å²	137.9	90%	0.904	72%	0.716	S	S	*	*			trans	-73.6	115.3	169.7	-68.4	-177.5	179.6	177.2	0	110.5
440	R	33.6	Very low	36.5	Very low	232 Å²	232	134.1 Å²	134.1	88%	0.875	71%	0.714	S	S	*	*			trans	-75.6	141.4	159.8	-68	-177.3	177.4	-176	-2	109.5	H438	H438-R440 PolarHBondContact O-N 2.94Å
441	P	32.8	Very low	35.7	Very low	129 Å²	129	136.2 Å²	136.2	84%	0.838	72%	0.72	S	S	*	*			trans	-73.2	141.6	170.1	31.1	-33.5	0	0	0	110.5
442	V	30.3	Very low	34.9	Very low	134 Å²	134	141 Å²	141	81%	0.812	75%	0.745	S	S	*	*			trans	-135.1	132.1	171.5	177.7	0	0	0	0	108.2
443	L	28.9	Very low	34.1	Very low	161 Å²	161	143.9 Å²	143.9	84%	0.843	76%	0.762	S	S	*	*			trans	-110.4	164.9	172	-84.7	173.2	0	0	0	109.7
444	P	33.2	Very low	33.4	Very low	120 Å²	120	147 Å²	147	78%	0.779	79%	0.787	S	S	*	*			trans	-85.2	163.7	-130.6	30.7	-37.9	0	0	0	117
445	S	30.5	Very low	33.1	Very low	107 Å²	107	150 Å²	150	75%	0.748	81%	0.805	S	S	*	*			trans	-71	150.2	178.1	53.5	0	0	0	0	114.9
446	L	26.7	Very low	32.4	Very low	183 Å²	183	152.9 Å²	152.9	96%	0.958	81%	0.805	S	S	*	*			trans	-128.2	166.3	144.1	-81	-179.5	0	0	0	110.7
447	H	26.9	Very low	31.7	Very low	162 Å²	162	155 Å²	155	75%	0.75	80%	0.803	S	S	*	*			trans	-132.7	130.4	-147.9	-168.3	-68.2	0	0	0	110.9
448	V	29	Very low	31.1	Very low	146 Å²	146	157.7 Å²	157.7	89%	0.885	82%	0.817	S	S	*	*			trans	-140.5	136.4	169.7	-177.8	0	0	0	0	109.1
449	E	27.4	Very low	30.2	Very low	169 Å²	169	156.5 Å²	156.5	79%	0.79	82%	0.816	S	S	*	*			trans	-87	157.2	-176.9	-61	173.5	112.8	0	0	112.5
450	S	29.7	Very low	30.4	Very low	117 Å²	117	151.9 Å²	151.9	82%	0.818	81%	0.807	S	S	*	*			trans	-87.4	143.6	170.2	54.8	0	0	0	0	111.5
451	K	25.7	Very low	30.2	Very low	210 Å²	210	146.2 Å²	146.2	91%	0.913	79%	0.794	S	S	*	*			trans	-134.1	145.3	162.6	-134.4	170.3	-173.5	174.5	0	111.6
452	I	33.2	Very low	30.5	Very low	150 Å²	150	144.2 Å²	144.2	77%	0.769	78%	0.781	S	S	*	*			trans	-89.5	146.3	-159.8	-64.1	151.6	0	0	0	110.8
453	E	25.6	Very low	30.5	Very low	189 Å²	189	146.4 Å²	146.4	88%	0.883	78%	0.78	S	S	*	*			trans	-167.7	156.3	130	-108.7	164.8	-149.3	0	0	114
454	V	34	Very low	30.5	Very low	130 Å²	130	146.6 Å²	146.6	79%	0.788	77%	0.769	S	S	*	*			trans	-152.9	138	-177.6	-174.4	0	0	0	0	108.8
455	P	40.2	Very low	30.3	Very low	108 Å²	108	151.1 Å²	151.1	70%	0.701	77%	0.771	S	S	*	*			trans	-141.5	137.9	146.9	33	-16.7	0	0	0	115.7
456	F	28.6	Very low	30.4	Very low	186 Å²	186	155.5 Å²	155.5	82%	0.816	78%	0.776	S	S	*	*			trans	37.7	160.2	139.7	-66.7	-100.2	0	0	0	122.7
457	E	28	Very low	31.1	Very low	149 Å²	149	152.2 Å²	152.2	70%	0.696	77%	0.765	S	S	*	*			cis	-172.5	173.3	-33	-168.9	172.6	-137.1	0	0	107.8
458	L	29.8	Very low	31.1	Very low	159 Å²	159	155.8 Å²	155.8	83%	0.832	77%	0.772	S	S	*	*			trans	93.7	131.9	159.9	-55.2	174.6	0	0	0	120.5
459	D	24	Very low	30.9	Very low	137 Å²	137	158.1 Å²	158.1	73%	0.733	77%	0.771	S	S	*	*			trans	-84.9	-178.1	169.2	-121.2	-29.2	0	0	0	109.8
460	P	41.2	Very low	30.9	Very low	112 Å²	112	155.3 Å²	155.3	73%	0.727	77%	0.769	S	S	*	*			cis	-137	156	14.8	35	-12.9	0	0	0	119.5
461	L	28	Very low	30.7	Very low	112 Å²	112	152.9 Å²	152.9	59%	0.586	76%	0.763	S	S	*	*			trans	8.7	144	134.3	-67.2	166.8	0	0	0	119.1
462	P	38.8	Very low	30.8	Very low	88 Å²	88	151 Å²	151	57%	0.571	76%	0.761	S	S	*	*				-163.9	161.3	59.4	43.6	-22.1	0	0	0	121.6
463	K	31.2	Very low	30.4	Very low	180 Å²	180	150 Å²	150	78%	0.783	77%	0.766	S	S	*	*			trans	65.4	159.4	148.3	-65.6	152.1	-168.7	165.7	0	118.6
464	R	29	Very low	30.4	Very low	164 Å²	164	144 Å²	144	62%	0.619	76%	0.755	S	S	*	*			cis	-167.8	158.7	-40.4	-149.1	-175.3	-178.8	-147.9	-3.2	109.8
465	R	27.9	Very low	30	Very low	216 Å²	216	142.5 Å²	142.5	82%	0.815	75%	0.75	S	S	*	*			trans	84.1	113.7	156.8	-75.6	178.9	153.6	143.2	-9.4	120.6
466	K	33.6	Very low	29.5	Very low	199 Å²	199	144.4 Å²	144.4	87%	0.865	75%	0.75	S	S	*	*			trans	-65.2	175.5	144.9	-51.3	-175.3	179.9	-174.5	0	109.8
467	P	40.8	Very low	29.5	Very low	113 Å²	113	142.2 Å²	142.2	73%	0.734	74%	0.74	S	S	*	*			cis	-153.7	172	23.3	45.2	-24	0	0	0	121.2
468	R	26.7	Very low	29.6	Very low	237 Å²	237	143.7 Å²	143.7	89%	0.894	74%	0.744	S	S	*	*			trans	25.5	121.7	142.1	-66.7	176	165.4	164	-6.8	120.8
469	K	26.3	Very low	29.5	Very low	196 Å²	196	142.9 Å²	142.9	85%	0.852	73%	0.734	S	S	*	*				-175.9	124.4	113.2	-105.8	-170.6	175	-171.7	0	109.7
470	S	26.5	Very low	29.8	Very low	109 Å²	109	146.5 Å²	146.5	76%	0.762	74%	0.737	S	S	*	*				74.7	108.6	88.9	77.9	0	0	0	0	116
471	G	26.4	Very low	29.1	Very low	67 Å²	67	149 Å²	149	69%	0.691	74%	0.737	S	S	*	*			trans	173.1	102	173.4	0	0	0	0	0	106.7
472	I	27.6	Very low	29	Very low	170 Å²	170	149.5 Å²	149.5	87%	0.872	74%	0.74	S	S	*	*				78.3	111.2	76.9	-67.7	171.7	0	0	0	112.5
473	C	23.3	Very low	28.3	Very low	128 Å²	128	152.2 Å²	152.2	87%	0.865	75%	0.745	S	S	*	*			trans	36.4	142.9	147.3	-145.3	0	0	0	0	122.2
474	G	26.3	Very low	27.9	Very low	64 Å²	64	151.8 Å²	151.8	66%	0.66	75%	0.745	S	S	*	*			trans	131.6	61.8	175.2	0	0	0	0	0	112.5
475	S	26.6	Very low	27.7	Very low	98 Å²	98	148 Å²	148	69%	0.685	74%	0.744	S	S	*	*				69.1	128.1	70	82.6	0	0	0	0	114.6
476	E	28.2	Very low	27.6	Very low	148 Å²	148	145.6 Å²	145.6	69%	0.692	74%	0.742	S	S	*	*			trans	72.2	154.2	164.9	-47.9	-146.7	142	0	0	116.4
477	K	30.3	Very low	27.1	Very low	140 Å²	140	140.9 Å²	140.9	61%	0.609	73%	0.733	S	S	*	*			cis	-163.4	151.9	-17	-115	171.6	-166.9	146.4	0	107.7
478	K	28.4	Very low	26.4	Very low	180 Å²	180	140.6 Å²	140.6	78%	0.783	73%	0.725	S	S	*	*			trans	62.1	171.9	155	-71.9	173.8	-178.6	173.9	0	115.2
479	K	28.8	Very low	26.5	Very low	143 Å²	143	136.1 Å²	136.1	62%	0.622	71%	0.712	S	S	*	*			cis	-162.3	146.1	-43.3	-114.6	-175.1	175.3	-179.4	0	105.5
480	R	30	Very low	26.4	Very low	212 Å²	212	137 Å²	137	80%	0.8	71%	0.712	S	S	*	*			trans	66.3	165.4	152.8	-70.8	171.8	179.3	176.7	-5.1	115
481	K	25.7	Very low	26.6	Very low	164 Å²	164	137.3 Å²	137.3	71%	0.713	70%	0.704	S	S	*	*			cis	-177.2	121.2	-26.4	162.6	-179.1	175.1	-162	0	106.3
482	L	25.6	Very low	26.6	Very low	124 Å²	124	141.9 Å²	141.9	65%	0.649	71%	0.705	S	S	*	*			trans	63.3	152.4	150.4	-126.4	57.3	0	0	0	115.1
483	E	24.2	Very low	26.6	Very low	144 Å²	144	139.5 Å²	139.5	67%	0.673	69%	0.69	S	S	*	*			cis	-159.3	179	-5.6	-140.1	158	-156.4	0	0	108.5
484	E	24	Very low	26.7	Very low	171 Å²	171	140.6 Å²	140.6	80%	0.799	68%	0.682	S	S	*	*			trans	59.6	159.7	146.7	-74.8	-155.9	129.2	0	0	121.1
485	S	25.4	Very low	26.9	Very low	85 Å²	85	141 Å²	141	59%	0.594	68%	0.675	S	S	*	*			cis	-162.9	179.7	-20.9	53.7	0	0	0	0	109.8
486	H	24.4	Very low	26.9	Very low	165 Å²	165	146 Å²	146	76%	0.764	68%	0.679	S	S	*	*			trans	67.3	117.9	168.3	-92.7	-119.1	0	0	0	117.2
487	C	23.5	Very low	26.9	Very low	100 Å²	100	148.6 Å²	148.6	68%	0.676	68%	0.683	S	S	*	*				82.7	152.5	80.9	-70.3	0	0	0	0	112.8
488	D	27.3	Very low	27	Very low	107 Å²	107	146.7 Å²	146.7	57%	0.572	69%	0.687	S	S	*	*			cis	-155.2	168.9	24.2	-147.7	-13.8	0	0	0	114.2
489	K	27.8	Very low	27.2	Very low	143 Å²	143	144 Å²	144	62%	0.622	69%	0.69	S	S	*	*			trans	16.2	146.4	162.7	-69.4	138.6	-161.1	151	0	122.7
490	Y	25	Very low	27.3	Very low	215 Å²	215	140.4 Å²	140.4	84%	0.843	69%	0.694	S	S	*	*				163.4	156.1	108.4	-99.5	-93.4	0	0	0	109.9
491	L	29.2	Very low	27.1	Very low	115 Å²	115	141.9 Å²	141.9	60%	0.602	70%	0.7	S	S	*	*				-170.4	139.3	-51.1	-141.5	81.1	0	0	0	108.2
492	K	27.3	Very low	27.6	Very low	164 Å²	164	140.1 Å²	140.1	71%	0.713	70%	0.702	S	S	*	*			trans	68.3	159.3	157.9	-59.4	-160.6	164.1	-144.7	0	118.7
493	H	26.8	Very low	28	Very low	119 Å²	119	142.3 Å²	142.3	55%	0.551	71%	0.709	S	S	*	*			cis	-159.2	149.7	-7.1	-126	-145.2	0	0	0	112.8
494	E	27	Very low	28.3	Very low	152 Å²	152	138.3 Å²	138.3	71%	0.71	71%	0.707	S	S	*	*			trans	58.1	161.4	137.5	-75.4	-173.9	138.8	0	0	122.5
495	S	28.7	Very low	28.5	Very low	73 Å²	73	137.2 Å²	137.2	51%	0.51	71%	0.707	S	S	.	*			cis	-158.4	151.2	5.6	-133.1	0	0	0	0	114.4
496	R	27.7	Very low	28.9	Very low	202 Å²	202	140.2 Å²	140.2	76%	0.762	72%	0.715	S	S	*	*			trans	70.9	149.2	147.1	-65.5	164.8	-170.8	-146.3	-2.5	119.1
497	R	28.2	Very low	29	Very low	203 Å²	203	140.5 Å²	140.5	77%	0.766	72%	0.717	S	S	*	*			cis	-159.3	141	-1	-128.5	176.3	-174.9	-172.3	-1.5	114.1
498	S	33	Very low	29.1	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	72%	0.723	S	S	*	*			trans	36.3	145.1	137.4	60	0	0	0	0	122.3
499	S	31.8	Very low	30	Very low	122 Å²	122	144.5 Å²	144.5	85%	0.853	73%	0.729	S	S	*	*			cis	-168.7	169.9	15.7	41.2	0	0	0	0	110.6
500	G	31.3	Very low	30	Very low	69 Å²	69	144.7 Å²	144.7	71%	0.711	74%	0.736	S	S	*	*			cis	168.4	-178.1	-3.4	0	0	0	0	0	113.9
501	R	26.2	Very low	30.2	Very low	243 Å²	243	142.9 Å²	142.9	92%	0.917	74%	0.74	S	S	*	*			trans	90.2	127.1	-169.9	-63.3	-172.2	173.3	-130.8	-0.7	115.2
502	V	35.3	Very low	30.1	Very low	126 Å²	126	140.6 Å²	140.6	76%	0.764	74%	0.744	S	S	*	*			cis	96.7	126.1	22.3	176.5	0	0	0	0	112.1
503	Q	33.6	Very low	31.3	Very low	170 Å²	170	138 Å²	138	79%	0.794	74%	0.744	S	S	*	*			cis	-155.3	159.3	13.4	-155.7	159.5	-40.8	0	0	114.9
504	G	30.9	Very low	31.3	Very low	60 Å²	60	139.2 Å²	139.2	62%	0.619	75%	0.754	S	S	*	*			trans	74.9	150	142.3	0	0	0	0	0	120.9
505	D	29	Very low	31.3	Very low	149 Å²	149	137.3 Å²	137.3	80%	0.797	76%	0.758	S	S	*	*			cis	-155.9	177.5	-10.3	-92.3	-44.5	0	0	0	112.2
506	L	34.1	Very low	32.5	Very low	148 Å²	148	139 Å²	139	78%	0.775	77%	0.768	S	S	*	*			trans	-44.1	168.5	-176.3	-58.5	160.9	0	0	0	117.6
507	E	25.6	Very low	32.3	Very low	170 Å²	170	135.5 Å²	135.5	79%	0.794	77%	0.769	S	S	*	*			cis	-160.2	178.3	23.1	-147	163.6	-139.2	0	0	114.4
508	F	26.3	Very low	32.4	Very low	184 Å²	184	131.7 Å²	131.7	81%	0.807	77%	0.768	S	S	*	*			trans	-129.9	164.7	174.2	-91.4	-81	0	0	0	108.4
509	P	46.3	Very low	32.1	Very low	107 Å²	107	133.9 Å²	133.9	70%	0.695	77%	0.771	S	S	*	*				-154.1	160.6	51.2	44.2	-21.3	0	0	0	117.8
510	L	27.9	Very low	31.9	Very low	148 Å²	148	133.5 Å²	133.5	78%	0.775	76%	0.764	S	S	*	*				66	149.8	101	-53.4	173.3	0	0	0	121
511	L	28.3	Very low	31.8	Very low	177 Å²	177	138.5 Å²	138.5	93%	0.927	77%	0.766	S	S	*	*			trans	72.5	152.5	169.9	-48.3	-179.7	0	0	0	116.1
512	G	27	Very low	32	Very low	67 Å²	67	134.1 Å²	134.1	69%	0.691	76%	0.756	S	S	*	*			cis	-171.4	167	-4.8	0	0	0	0	0	111.2
513	P	52.2	Low	31.8	Very low	109 Å²	109	133.8 Å²	133.8	71%	0.708	75%	0.754	S	S	*	*			trans	-97.3	158.5	-168.8	37.3	-35.8	0	0	0	115.1
514	N	27.1	Very low	31.5	Very low	144 Å²	144	130.7 Å²	130.7	77%	0.77	75%	0.751	S	S	*	*				162.5	121	120.2	-82.9	-29.8	0	0	0	116.2
515	S	26.3	Very low	31.5	Very low	113 Å²	113	135 Å²	135	79%	0.79	76%	0.755	S	S	*	*			trans	69.9	-177.6	139.1	84.2	0	0	0	0	117.5
516	P	54.1	Low	31.6	Very low	109 Å²	109	136.7 Å²	136.7	71%	0.708	75%	0.75	S	S	*	*				-132.1	-162.7	-117.4	35.2	-11.3	0	0	0	115
517	T	24.7	Very low	31.6	Very low	127 Å²	127	136.6 Å²	136.6	78%	0.779	75%	0.746	S	S	*	*			trans	111.6	124.1	159.9	67	0	0	0	0	118.8
518	V	29	Very low	31.8	Very low	124 Å²	124	136 Å²	136	75%	0.752	75%	0.748	S	S	*	*			trans	70.6	102.8	131.3	177.6	0	0	0	0	120.4
519	D	26.2	Very low	32.1	Very low	145 Å²	145	132 Å²	132	78%	0.775	74%	0.743	S	S	*	*			trans	79.6	150.5	133.6	-92.9	-48	0	0	0	126.5
520	V	29	Very low	31.5	Very low	115 Å²	115	132.4 Å²	132.4	70%	0.697	74%	0.743	S	S	*	*			trans	65.3	109.2	143.8	166.2	0	0	0	0	120.9
521	K	28.4	Very low	31.5	Very low	174 Å²	174	132.4 Å²	132.4	76%	0.757	74%	0.739	S	S	*	*				17.5	144.8	120.4	-71.6	175.1	174.9	-179.7	0	117.6
522	Q	31.3	Very low	31.5	Very low	151 Å²	151	132.7 Å²	132.7	71%	0.706	73%	0.733	S	S	*	*			cis	-175.1	170	25.3	-130.1	174.4	-82.9	0	0	110.7
523	V	30.1	Very low	31.7	Very low	118 Å²	118	134 Å²	134	72%	0.715	73%	0.732	S	S	*	*			trans	65.3	123.3	148.6	166.6	0	0	0	0	116.2
524	S	26.6	Very low	30.8	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	73%	0.732	S	S	*	*			cis	-160.3	-172.9	49.5	-32.7	0	0	0	0	110.4
525	Q	32.8	Very low	30.9	Very low	150 Å²	150	132.1 Å²	132.1	70%	0.701	73%	0.733	S	S	*	*			cis	-160.7	142.8	-9.9	-161.6	-173.2	91.8	0	0	108.9
526	R	29.6	Very low	31.1	Very low	186 Å²	186	132.2 Å²	132.2	70%	0.702	73%	0.733	S	S	*	*			trans	138.5	129.6	130.8	-78.7	-166.2	169	-166.5	-5.4	117.9
527	Q	35.7	Very low	30	Very low	146 Å²	146	135.8 Å²	135.8	68%	0.682	74%	0.737	S	S	*	*			trans	66.6	108.7	145.3	-66.8	162.5	-37.3	0	0	117
528	N	29.4	Very low	30.2	Very low	158 Å²	158	135.6 Å²	135.6	85%	0.845	74%	0.736	S	S	*	*				71	126.3	70	-66	29.2	0	0	0	112
529	S	31.8	Very low	30.1	Very low	98 Å²	98	134 Å²	134	69%	0.685	73%	0.727	S	S	*	*			cis	-150.7	-161.6	-3.3	-144.7	0	0	0	0	108.1
530	V	34.8	Very low	30.3	Very low	116 Å²	116	135.4 Å²	135.4	70%	0.703	73%	0.729	S	S	*	*			cis	-149.5	146.3	12.6	-116.9	0	0	0	0	107.6
531	E	27.1	Very low	30.2	Very low	148 Å²	148	137.3 Å²	137.3	69%	0.692	74%	0.735	S	S	*	*				57.8	128.7	93.3	-63.6	-175.2	-162.9	0	0	117
532	F	28.5	Very low	30.2	Very low	184 Å²	184	132.7 Å²	132.7	81%	0.807	73%	0.729	S	S	*	*			cis	-167.1	179.4	-2.1	-124.3	177.2	0	0	0	111.3
533	S	30.8	Very low	30	Very low	95 Å²	95	133.1 Å²	133.1	66%	0.664	73%	0.731	S	S	*	*			cis	-156	-45.3	0.4	45.9	0	0	0	0	116.1
534	S	32.8	Very low	29.9	Very low	100 Å²	100	135 Å²	135	70%	0.699	73%	0.73	S	S	*	*			trans	-129.2	160.1	-142.8	56.7	0	0	0	0	115.1
535	S	29.8	Very low	30.1	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	74%	0.735	S	S	*	*			cis	-165.5	160.4	-14.4	46.3	0	0	0	0	107.3
536	S	30.8	Very low	29.9	Very low	114 Å²	114	141.6 Å²	141.6	80%	0.797	74%	0.744	S	S	*	*			cis	-151.5	167.9	4.4	37.4	0	0	0	0	111
537	K	30.1	Very low	30.7	Very low	184 Å²	184	138.5 Å²	138.5	80%	0.8	75%	0.748	S	S	*	*			trans	-84.8	-179.7	164.6	-64.3	-179.8	179.3	-179.2	0	109.8
538	T	29.3	Very low	30.3	Very low	123 Å²	123	136.4 Å²	136.4	76%	0.755	76%	0.755	S	S	*	*				-175	126.5	60.1	20.9	0	0	0	0	108.9
539	T	28.4	Very low	30.4	Very low	91 Å²	91	134.2 Å²	134.2	56%	0.558	75%	0.752	S	S	*	*				79.2	132.1	83.7	59.9	0	0	0	0	117.9
540	E	29.9	Very low	30.1	Very low	175 Å²	175	136.3 Å²	136.3	82%	0.818	76%	0.761	S	S	*	*			trans	68.9	147.6	141.6	-75.7	144.6	-129.2	0	0	120.1
541	D	26.4	Very low	29.8	Very low	154 Å²	154	136.3 Å²	136.3	82%	0.824	77%	0.766	S	S	*	*			cis	-165.3	-177.7	-13.9	-158.5	-4.3	0	0	0	111.1
542	A	29	Very low	29.6	Very low	77 Å²	77	132.7 Å²	132.7	64%	0.636	77%	0.769	S	S	*	*			trans	82.8	113.7	148.2	0	0	0	0	0	124.3
543	E	27.1	Very low	29.4	Very low	160 Å²	160	131.9 Å²	131.9	75%	0.748	77%	0.773	S	S	*	*				71.8	146.8	127.4	-71.9	-149.5	155.7	0	0	127.6
544	K	28.5	Very low	30.7	Very low	158 Å²	158	132.8 Å²	132.8	69%	0.687	78%	0.776	S	S	*	*			trans	92.4	103.1	141.3	-90.7	-173.8	-176.7	80.8	0	124
545	L	29.2	Very low	31.2	Very low	161 Å²	161	133.4 Å²	133.4	84%	0.843	78%	0.778	S	S	*	*				54.6	137.9	124.9	-62	177	0	0	0	124.1
546	R	29	Very low	31.2	Very low	233 Å²	233	135.4 Å²	135.4	88%	0.879	78%	0.779	S	S	*	*			trans	-56	169.5	158.6	-70	179.6	176.4	177.1	-1.8	112.6
547	P	46.4	Very low	31.2	Very low	121 Å²	121	135.4 Å²	135.4	79%	0.786	77%	0.77	S	S	*	*			cis	-154.2	-168.5	32.7	44.9	-22.8	0	0	0	119.6
548	A	26.8	Very low	31.1	Very low	102 Å²	102	133.7 Å²	133.7	84%	0.843	76%	0.763	S	S	*	*			trans	96.3	137.1	147	0	0	0	0	0	121
549	S	31.7	Very low	31	Very low	111 Å²	111	134.9 Å²	134.9	78%	0.776	76%	0.76	S	S	*	*			trans	-104.2	172.4	-171.7	49.7	0	0	0	0	113.7
550	T	26.8	Very low	30.8	Very low	142 Å²	142	137 Å²	137	87%	0.871	77%	0.767	S	S	*	*			trans	-168.2	164.3	138.8	-77.1	0	0	0	0	111.7
551	S	27.2	Very low	30.8	Very low	116 Å²	116	133.9 Å²	133.9	81%	0.811	76%	0.76	S	S	*	*			trans	-90.3	170.1	-162.9	54.6	0	0	0	0	119.2
552	G	22.8	Very low	30.7	Very low	73 Å²	73	132 Å²	132	75%	0.753	75%	0.754	S	S	*	*			trans	176.7	138.7	154.6	0	0	0	0	0	116.7
553	N	23.8	Very low	30.6	Very low	166 Å²	166	136.9 Å²	136.9	89%	0.888	76%	0.764	S	S	*	*			trans	-145.3	-172.3	176	-82.1	-10.8	0	0	0	108.6
554	P	58.6	Low	30.6	Very low	114 Å²	114	134.4 Å²	134.4	74%	0.74	76%	0.764	S	S	*	*				-109.5	-157.9	-66.6	42	-26.6	0	0	0	110.6
555	P	43.4	Very low	30.4	Very low	113 Å²	113	134.2 Å²	134.2	73%	0.734	77%	0.766	S	S	*	*				-133.7	159.9	60.7	12.9	14.8	0	0	0	115
556	L	30.8	Very low	30.2	Very low	155 Å²	155	133 Å²	133	81%	0.812	76%	0.756	S	S	*	*				56.3	132.4	80.1	-71	163.7	0	0	0	115.8
557	D	29	Very low	30.1	Very low	114 Å²	114	130.3 Å²	130.3	61%	0.61	75%	0.754	S	S	*	*			cis	-145.2	-159.7	5.2	-151.8	-149.2	0	0	0	109.1
558	K	28.8	Very low	29.1	Very low	148 Å²	148	133.1 Å²	133.1	64%	0.643	75%	0.753	S	S	*	*			cis	-153	-113.6	12.5	-168.5	133	-155.5	57.4	0	115.5
559	E	28.2	Very low	29.1	Very low	148 Å²	148	135 Å²	135	69%	0.692	75%	0.749	S	S	*	*			trans	-134.7	171.2	-159	-68.8	146.6	-170	0	0	111.6
560	D	23.9	Very low	28.9	Very low	135 Å²	135	133.9 Å²	133.9	72%	0.722	74%	0.741	S	S	*	*			cis	-156.7	168.4	11.4	-150.7	3.7	0	0	0	115
561	V	28.7	Very low	28.8	Very low	110 Å²	110	133.4 Å²	133.4	67%	0.667	73%	0.733	S	S	*	*			trans	17.5	139	143.9	153.9	0	0	0	0	121
562	T	25.8	Very low	28.9	Very low	114 Å²	114	135.8 Å²	135.8	70%	0.699	74%	0.736	S	S	*	*			cis	-156.5	166.9	13.2	2.1	0	0	0	0	113.7
563	E	25.7	Very low	29	Very low	180 Å²	180	139.3 Å²	139.3	84%	0.841	74%	0.743	S	S	*	*			trans	10.1	143.9	150	-67.5	176.8	160.2	0	0	121.2
564	S	26.4	Very low	29.2	Very low	108 Å²	108	136.2 Å²	136.2	76%	0.755	74%	0.741	S	S	*	*				-159.6	-167.6	51.1	-155.5	0	0	0	0	116.1
565	E	25.6	Very low	27.7	Very low	155 Å²	155	137 Å²	137	72%	0.724	74%	0.739	S	S	*	*			trans	-61.3	170.7	-169.4	-49.1	-173.8	74.8	0	0	116
566	Q	25.4	Very low	26.7	Very low	136 Å²	136	136.3 Å²	136.3	64%	0.636	74%	0.736	S	S	*	*			cis	-161.5	144.8	21.2	-152.3	163.7	69.2	0	0	113.2
567	Q	26.3	Very low	26.5	Very low	176 Å²	176	136.6 Å²	136.6	82%	0.822	73%	0.732	S	S	*	*			trans	51.3	132.8	160.6	-74.3	174.7	21.6	0	0	121.6
568	K	25.3	Very low	26.2	Very low	180 Å²	180	137.2 Å²	137.2	78%	0.783	75%	0.745	S	S	*	*				169	138.6	103.7	-179.6	165.3	-176.9	176.8	0	113.7
569	N	26.1	Very low	26.2	Very low	142 Å²	142	135.2 Å²	135.2	76%	0.759	75%	0.75	S	S	*	*			trans	66.7	154.7	169	-72.5	10.7	0	0	0	116.8
570	S	28.2	Very low	26.1	Very low	86 Å²	86	136.6 Å²	136.6	60%	0.601	76%	0.757	S	S	*	*			cis	-162	178.1	-13.3	50.5	0	0	0	0	112.9
571	D	25.1	Very low	26.3	Very low	132 Å²	132	136.2 Å²	136.2	71%	0.706	77%	0.765	S	S	*	*			trans	77	113.8	148.6	-57.9	-44.8	0	0	0	124.3
572	L	28.8	Very low	26.2	Very low	167 Å²	167	134.5 Å²	134.5	87%	0.874	77%	0.769	S	S	*	*				50.5	108.8	126.5	-60.4	174.7	0	0	0	121
573	T	25.5	Very low	26.2	Very low	147 Å²	147	132.2 Å²	132.2	90%	0.902	77%	0.768	S	S	*	*			trans	-97.9	139.2	170.2	46.1	0	0	0	0	114.2
574	A	28.6	Very low	26.5	Very low	101 Å²	101	131.4 Å²	131.4	84%	0.835	77%	0.77	S	S	*	*			trans	-168	138.6	155.6	0	0	0	0	0	108.7
575	N	25.6	Very low	26.9	Very low	131 Å²	131	135 Å²	135	70%	0.701	77%	0.774	S	S	*	*			cis	-158	178.2	-7.7	-179.3	38.4	0	0	0	108.9
576	C	22.4	Very low	27	Very low	98 Å²	98	134.2 Å²	134.2	66%	0.662	78%	0.784	S	S	*	*			trans	115.7	90.7	152.5	-63.1	0	0	0	0	118.8
577	H	27	Very low	27.2	Very low	160 Å²	160	133.7 Å²	133.7	74%	0.741	79%	0.791	S	S	*	*				47.3	117.5	129.9	-53.2	-67.7	0	0	0	121.3
578	S	24.1	Very low	27.2	Very low	127 Å²	127	132 Å²	132	89%	0.888	79%	0.792	S	S	*	*				-152.3	160.9	125	-82.6	0	0	0	0	111.3
579	S	27.6	Very low	27.2	Very low	107 Å²	107	127.4 Å²	127.4	75%	0.748	79%	0.787	S	S	*	*			trans	-80.5	179.8	-175.8	51.6	0	0	0	0	112.6
580	E	27.3	Very low	27.4	Very low	177 Å²	177	126 Å²	126	83%	0.827	80%	0.796	S	S	*	*			cis	-151.6	167.2	24.4	-62.8	-177.6	102.7	0	0	113.9
581	S	27.2	Very low	27.2	Very low	127 Å²	127	125.1 Å²	125.1	89%	0.888	80%	0.801	S	S	*	*			trans	50.4	135.8	136.5	-160.5	0	0	0	0	123.3
582	G	25.6	Very low	27.4	Very low	73 Å²	73	128.7 Å²	128.7	75%	0.753	81%	0.81	S	S	*	*			trans	166	135.2	161.3	0	0	0	0	0	114
583	G	27.3	Very low	27.4	Very low	66 Å²	66	125.9 Å²	125.9	68%	0.68	80%	0.8	S	S	*	*			trans	-77.5	-169.6	166.5	0	0	0	0	0	112.4
584	N	32.4	Very low	27.4	Very low	164 Å²	164	126.9 Å²	126.9	88%	0.877	79%	0.794	S	S	*	*			cis	-149.7	168.6	29.2	-58	-51	0	0	0	112.6
585	E	33.5	Very low	27.6	Very low	182 Å²	182	129.2 Å²	129.2	85%	0.85	79%	0.791	S	S	*	*			trans	-69.8	157.1	167.9	-59.4	173.9	92.6	0	0	112.7
586	C	28.8	Very low	27.6	Very low	139 Å²	139	128.9 Å²	128.9	94%	0.939	79%	0.794	S	S	*	*				-163.9	145.2	129.7	-114.3	0	0	0	0	112.6
587	T	28.4	Very low	27.9	Very low	126 Å²	126	129.9 Å²	129.9	77%	0.773	80%	0.803	S	S	*	*			trans	-119.1	124.7	-174	-64.4	0	0	0	0	112.1
588	V	26.3	Very low	28	Very low	141 Å²	141	128.4 Å²	128.4	86%	0.855	80%	0.804	S	S	*	*			trans	-158.6	132.2	156.3	-175.9	0	0	0	0	106.1
589	A	25.3	Very low	28.4	Very low	82 Å²	82	127.1 Å²	127.1	68%	0.678	80%	0.802	S	S	*	*			cis	125.9	99.2	5.9	0	0	0	0	0	111.7
590	A	29.5	Very low	28.5	Very low	113 Å²	113	130.4 Å²	130.4	93%	0.934	81%	0.805	S	S	*	*			trans	48.5	140.4	144.7	0	0	0	0	0	124.7
591	G	24.7	Very low	28.7	Very low	68 Å²	68	129.9 Å²	129.9	70%	0.701	80%	0.803	S	S	*	*			trans	145	129.7	167	0	0	0	0	0	110.8
592	F	29.3	Very low	28.8	Very low	206 Å²	206	128.5 Å²	128.5	90%	0.904	79%	0.785	S	S	*	*			cis	56.9	130.3	13.5	-84.6	-98.9	0	0	0	114.2
593	T	29.3	Very low	29.1	Very low	109 Å²	109	132.5 Å²	132.5	67%	0.669	78%	0.784	S	S	*	*			cis	-112.1	-152.9	1.7	46.8	0	0	0	0	110.8
594	E	25	Very low	29.1	Very low	167 Å²	167	135.3 Å²	135.3	78%	0.78	78%	0.784	S	S	*	*			cis	-154.4	-164.5	2.6	-156.1	132	122	0	0	111.6
595	I	32.3	Very low	29.1	Very low	150 Å²	150	135.8 Å²	135.8	77%	0.769	78%	0.778	S	S	*	*			trans	-137.9	158.9	-180	-55.7	175.3	0	0	0	109.5
596	T	26.9	Very low	28.9	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	78%	0.781	S	S	*	*			trans	101.1	118.8	153.4	-28.7	0	0	0	0	118.1
597	S	27.9	Very low	28.9	Very low	120 Å²	120	134.4 Å²	134.4	84%	0.839	78%	0.775	S	S	*	*				-155.9	147.7	129	58.3	0	0	0	0	109.7
598	V	28.9	Very low	28.9	Very low	128 Å²	128	136.6 Å²	136.6	78%	0.776	78%	0.781	S	S	*	*			trans	-118.5	141	178.9	174.9	0	0	0	0	108.7	E600	V598-E600 HydrophobicContact CG1-CG 4.46Å
599	A	31.9	Very low	29	Very low	101 Å²	101	132.7 Å²	132.7	84%	0.835	77%	0.77	S	S	*	*			trans	-142.3	139.2	163.8	0	0	0	0	0	109.2
600	E	30.3	Very low	29.2	Very low	175 Å²	175	134.2 Å²	134.2	82%	0.818	78%	0.776	S	S	*	*			trans	-122.2	173.5	179.4	-70.7	-166.8	118.6	0	0	111.2	V598	V598-E600 HydrophobicContact CG1-CG 4.46Å
601	E	31.6	Very low	29.6	Very low	166 Å²	166	136 Å²	136	78%	0.776	77%	0.769	S	S	*	*			trans	74.8	138.1	169.2	-55.9	-145.2	126.6	0	0	117.2
602	N	29.4	Very low	30.2	Very low	98 Å²	98	141.7 Å²	141.7	52%	0.524	78%	0.777	S	S	.	*			cis	-163.3	138.4	-9.9	-118	-26.4	0	0	0	113.8
603	Q	32.3	Very low	30.6	Very low	157 Å²	157	141.5 Å²	141.5	73%	0.734	78%	0.776	S	S	*	*			trans	65.7	157.2	150.7	-55	168.8	46.2	0	0	117
604	N	27.2	Very low	30.7	Very low	126 Å²	126	144.8 Å²	144.8	67%	0.674	79%	0.786	S	S	*	*			cis	-158.6	162.1	12.3	-148.2	-25.3	0	0	0	113.5
605	K	31.4	Very low	31.2	Very low	173 Å²	173	142.7 Å²	142.7	75%	0.752	78%	0.784	S	S	*	*			trans	70	110.1	158.7	-56.6	-170.8	-176.9	177.8	0	123.7
606	Q	31	Very low	31.3	Very low	196 Å²	196	142.8 Å²	142.8	92%	0.916	79%	0.786	S	S	*	*			trans	21	116.8	134.1	-60.1	177.6	-85.7	0	0	123.1
607	A	27.8	Very low	31.9	Very low	97 Å²	97	145.3 Å²	145.3	80%	0.802	79%	0.787	S	S	*	*				-161.7	122.8	122.9	0	0	0	0	0	106.5
608	D	27.8	Very low	32.5	Very low	171 Å²	171	146.3 Å²	146.3	91%	0.914	79%	0.788	S	S	*	*				53.4	140.3	88.1	-161.8	29.8	0	0	0	116.4
609	G	29.6	Very low	34	Very low	60 Å²	60	149.2 Å²	149.2	62%	0.619	79%	0.79	S	S	*	*			trans	89.2	93.5	156.6	0	0	0	0	0	120.1
610	S	28.7	Very low	35.6	Very low	114 Å²	114	148.2 Å²	148.2	80%	0.797	78%	0.782	S	S	*	*				90.7	145.1	126	-144.4	0	0	0	0	122.8
611	L	37.3	Very low	37.7	Very low	151 Å²	151	143.4 Å²	143.4	79%	0.791	77%	0.765	S	S	*	*			trans	59.3	87.4	157.8	-72.7	164	0	0	0	120.8
612	Q	38.4	Very low	40.4	Very low	187 Å²	187	142.5 Å²	142.5	87%	0.874	76%	0.755	S	S	*	*			trans	-50.8	140	140.8	-58.7	168.9	-2.9	0	0	111.2
613	K	37.4	Very low	43.6	Very low	202 Å²	202	138.1 Å²	138.1	88%	0.878	73%	0.732	S	S	*	*			trans	-148.5	43.5	158.3	-140.1	173.9	-173.2	-179.9	0	113.6
614	M	32.4	Very low	46.6	Very low	177 Å²	177	130.6 Å²	130.6	87%	0.872	70%	0.697	S	S	*	*			trans	-71	142.4	169.6	-161.7	166	72.8	0	0	109.9	N616	M614-N616 PolarHBondContact O-N 3.3Å
615	V	35.3	Very low	50	Low	123 Å²	123	124.6 Å²	124.6	75%	0.745	67%	0.665	S	S	*	*			trans	-69.4	105.3	-165.8	-178.7	0	0	0	0	111.9	K617	V615-K617 HydrophobicContact CG1-CG 4.27Å; V615-K617 PolarHBondContact O-N 3.23Å
616	N	34.2	Very low	53.1	Low	152 Å²	152	117.6 Å²	117.6	81%	0.813	64%	0.635	S	S	*	*			trans	-68	80.4	163.7	-77.1	-17.2	0	0	0	109.8	M614 T618	M614-N616 PolarHBondContact O-N 3.3Å; N616-T618 PolarHBondContact O-N 3.32Å; N616-T618 VanDerWaalsContact O-N 3.11Å
617	K	38.8	Very low	56.2	Low	178 Å²	178	109 Å²	109	77%	0.774	60%	0.596	S	S	*	*			trans	-59.1	113.2	156.1	-77.7	-170.8	175.3	-175.5	0	106.6	V615 K619	V615-K617 HydrophobicContact CG1-CG 4.27Å; V615-K617 PolarHBondContact O-N 3.23Å; K617-K619 PolarHBondContact O-N 3.07Å
618	T	41.8	Very low	59.3	Low	140 Å²	140	106.1 Å²	106.1	86%	0.859	57%	0.57	S	S	*	*			trans	-66.9	81.2	-177.8	-43.7	0	0	0	0	110.3	N616 A620	N616-T618 PolarHBondContact O-N 3.32Å; N616-T618 VanDerWaalsContact O-N 3.11Å; T618-A620 PolarHBondContact O-N 2.87Å
619	K	59.8	Low	62.4	Low	190 Å²	190	98.6 Å²	98.6	83%	0.826	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-58.1	133.2	172	-66.4	-174.4	178.5	-175.5	0	107.9	K617	K617-K619 PolarHBondContact O-N 3.07Å
620	A	64.7	Low	65.5	Low	80 Å²	80	98.8 Å²	98.8	66%	0.661	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-52.2	142.7	177.6	0	0	0	0	0	110.4	T618 R622	T618-A620 PolarHBondContact O-N 2.87Å; A620-R622 PolarHBondContact O-N 3.18Å
621	P	74.6	Confident	68.6	Low	73 Å²	73	97.8 Å²	97.8	47%	0.474	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-58.3	133.9	179.3	25.4	-34	0	0	0	109.5	T623 S648	P621-T623 PolarHBondContact O-N 3.12Å; P621-S648 WeakPolarHBondContact CG-OG 3.41Å
622	R	89.3	Confident	71.2	Confident	147 Å²	147	98.6 Å²	98.6	56%	0.555	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	137.3	176.4	-74.2	179.2	175.2	173.9	-4.5	108.6	A620 F647 S648 T658	A620-R622 PolarHBondContact O-N 3.18Å; R622-F647 HydrophobicContact CB-CD1 3.76Å; R622-F647 HydrophobicContact CB-CE1 3.72Å; R622-F647 VanDerWaalsContact O-CA 3.23Å; R622-F647 WeakPolarHBondContact O-CA 3.47Å; R622-F647 WeakPolarHBondContact O-CD1 3.39Å; R622-S648 PolarHBondContact O-N 3.12Å; R622-T658 HydrophobicContact CG-CG2 4.21Å
623	T	95.1	Very high	73.9	Confident	6 Å²	6	92.4 Å²	92.4	4%	0.037	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	142	180	72	0	0	0	0	111.7	P621 S648 I650 S656 T657 T658	P621-T623 PolarHBondContact O-N 3.12Å; T623-S648 CarbonylContact C-O 3.31Å; T623-S648 VanDerWaalsContact CA-O 3.25Å; T623-S648 WeakPolarHBondContact CA-O 3.4Å; T623-I650 HydrophobicContact CG2-CD1 3.55Å; T623-I650 HydrophobicContact CG2-CG1 4.26Å; T623-S656 VanDerWaalsContact CG2-OG 3.24Å; T623-S656 WeakPolarHBondContact CG2-OG 2.86Å; T623-S656 PolarHBondContact N-O 3.03Å; T623-S656 PolarHBondContact OG1-O 3.48Å; T623-S656 PolarHBondContact OG1-OG 3.44Å; T623-T657 WeakPolarHBondContact O-CA 3.45Å; T623-T657 WeakPolarHBondContact OG1-CA 2.98Å; T623-T657 PolarHBondContact OG1-N 2.84Å; T623-T657 PolarHBondContact OG1-OG1 2.8Å; T623-T658 PolarHBondContact O-N 3.24Å; T623-T658 VanDerWaalsContact O-N 3.11Å
624	L	96.6	Very high	76.7	Confident	0 Å²	0	86.3 Å²	86.3	0%	0	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.2	-178.5	-176.7	153.3	0	0	0	108.8	M626 V637 V641 F647 S648 I649 I650 H659 V661 W686 I687	L624-M626 HydrophobicContact CD2-CG 4.25Å; L624-V637 HydrophobicContact CD2-CG1 3.93Å; L624-V641 HydrophobicContact CD1-CG2 4.41Å; L624-F647 HydrophobicContact CB-CB 4.25Å; L624-F647 HydrophobicContact CB-CD1 3.94Å; L624-F647 HydrophobicContact CB-CG 4.29Å; L624-F647 HydrophobicContact CD1-CD1 4.47Å; L624-F647 HydrophobicContact CD1-CG 4.44Å; L624-S648 PolarHBondContact N-O 3.28Å; L624-I649 HydrophobicContact CD2-CG1 4.31Å; L624-I649 WeakPolarHBondContact O-CA 3.49Å; L624-I650 PolarHBondContact O-N 3.24Å; L624-I650 VanDerWaalsContact O-N 3.07Å; L624-H659 WeakPolarHBondContact CA-O 3.44Å; L624-H659 HydrophobicContact CB-CB 4.49Å; L624-H659 HydrophobicContact CD1-CB 4.29Å; L624-H659 HydrophobicContact CG-CB 4.18Å; L624-V661 HydrophobicContact CD1-CG2 4.1Å; L624-V661 HydrophobicContact CD2-CG2 4.13Å; L624-V661 HydrophobicContact CG-CG2 4.2Å; L624-W686 HydrophobicContact CD1-CZ3 3.96Å; L624-I687 HydrophobicContact CD1-CD1 4.41Å
625	V	97.6	Very high	79.7	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.1	-179	178	0	0	0	0	109.8	I650 V653 T657 H659 V660 V661 N670	V625-I650 WeakPolarHBondContact CA-O 3.33Å; V625-I650 WeakPolarHBondContact CG2-O 3.44Å; V625-V653 HydrophobicContact CB-CG2 4.24Å; V625-V653 HydrophobicContact CG1-CG2 4.13Å; V625-V653 HydrophobicContact CG2-CG2 4.07Å; V625-T657 HydrophobicContact CB-CG2 4.45Å; V625-T657 HydrophobicContact CG2-CG2 3.72Å; V625-H659 PolarHBondContact N-O 2.85Å; V625-V660 HydrophobicContact CB-CG1 4.49Å; V625-V660 HydrophobicContact CB-CG2 4.44Å; V625-V660 CarbonylContact O-C 3.59Å; V625-V660 WeakPolarHBondContact O-CA 3.49Å; V625-V661 PolarHBondContact O-N 3.02Å; V625-N670 HydrophobicContact CG1-CB 4.14Å; V625-N670 WeakPolarHBondContact CG1-ND2 3.43Å
626	M	96.3	Very high	82.5	Confident	26 Å²	26	77.8 Å²	77.8	13%	0.128	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	144.2	173.2	-61.8	-176	-66.2	0	0	110	L624 M629 Q634 V637 I649	L624-M626 HydrophobicContact CD2-CG 4.25Å; M626-M629 HydrophobicContact CB-CG 4.38Å; M626-M629 HydrophobicContact SD-CE 4.4Å; M626-Q634 HydrophobicContact CE-CB 4.02Å; M626-Q634 HydrophobicContact CE-CG 4.1Å; M626-Q634 HydrophobicContact SD-CB 3.98Å; M626-Q634 HydrophobicContact SD-CG 4.08Å; M626-V637 HydrophobicContact CG-CG1 4.26Å; M626-V637 HydrophobicContact SD-CB 3.65Å; M626-V637 HydrophobicContact SD-CG1 3.89Å; M626-V637 HydrophobicContact SD-CG2 3.9Å; M626-I649 HydrophobicContact CE-CG2 4.02Å
627	T	96.3	Very high	85.5	Confident	15 Å²	15	70.6 Å²	70.6	9%	0.092	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	147.3	174.4	-158	0	0	0	0	112.7	M629 V660 V661 S662 G663 T668 N670 I671	T627-M629 WeakPolarHBondContact O-CG 3.36Å; T627-M629 PolarHBondContact O-N 3.29Å; T627-M629 VanDerWaalsContact O-N 3.14Å; T627-V660 HydrophobicContact CG2-CG1 3.98Å; T627-V661 PolarHBondContact N-O 3.06Å; T627-S662 WeakPolarHBondContact CG2-OG 3.47Å; T627-S662 WeakPolarHBondContact O-CA 3.32Å; T627-G663 PolarHBondContact O-N 2.94Å; T627-T668 WeakPolarHBondContact OG1-CB 3.49Å; T627-T668 WeakPolarHBondContact OG1-CG2 3.33Å; T627-T668 PolarHBondContact OG1-OG1 3.14Å; T627-N670 HydrophobicContact CG2-CB 4.49Å; T627-I671 HydrophobicContact CG2-CD1 3.66Å; T627-I671 HydrophobicContact CG2-CG1 3.86Å
628	S	93.8	Very high	88.2	Confident	36 Å²	36	65.6 Å²	65.6	25%	0.252	35%	0.351	S	S	.	.	S	Bend	trans	43.7	45.3	-171.5	-67.5	0	0	0	0	113.7	G663 E664 T668	S628-G663 CarbonylContact O-C 3.55Å; S628-G663 VanDerWaalsContact O-C 3.29Å; S628-G663 WeakPolarHBondContact O-CA 3.38Å; S628-G663 PolarHBondContact O-N 2.84Å; S628-E664 PolarHBondContact O-N 3.16Å; S628-T668 VanDerWaalsContact OG-CG2 3.27Å; S628-T668 WeakPolarHBondContact OG-CG2 3.33Å
629	M	93.2	Very high	90.6	Very high	13 Å²	13	62 Å²	62	6%	0.064	32%	0.324	C	S	.	.			trans	-113.6	117	-173.8	-82.6	-83.3	-80.9	0	0	110.7	M626 T627 K633 Q634 V637 G663 F684	M626-M629 HydrophobicContact CB-CG 4.38Å; M626-M629 HydrophobicContact SD-CE 4.4Å; T627-M629 WeakPolarHBondContact O-CG 3.36Å; T627-M629 PolarHBondContact O-N 3.29Å; T627-M629 VanDerWaalsContact O-N 3.14Å; M629-K633 HydrophobicContact CE-CB 3.55Å; M629-K633 HydrophobicContact SD-CB 3.61Å; M629-K633 HydrophobicContact SD-CD 3.95Å; M629-K633 HydrophobicContact SD-CG 4.44Å; M629-Q634 HydrophobicContact CB-CG 3.74Å; M629-Q634 WeakPolarHBondContact O-CG 3.45Å; M629-Q634 PolarHBondContact O-NE2 3.46Å; M629-V637 HydrophobicContact CE-CG2 3.32Å; M629-G663 WeakPolarHBondContact SD-CA 3.5Å; M629-F684 HydrophobicContact CE-CD2 3.55Å; M629-F684 HydrophobicContact CE-CE2 3.86Å; M629-F684 HydrophobicContact CE-CG 4.39Å; M629-F684 HydrophobicContact SD-CB 4.2Å; M629-F684 HydrophobicContact SD-CD2 3.92Å; M629-F684 HydrophobicContact SD-CG 4.19Å
630	P	93.6	Very high	92.3	Very high	64 Å²	64	53 Å²	53	42%	0.416	29%	0.286	S	S	.	.			trans	-59.9	150.3	168.9	-24.7	34.9	0	0	0	112.3	E632 K633 Q634	P630-E632 VanDerWaalsContact C-N 3.25Å; P630-E632 PolarHBondContact O-N 3.44Å; P630-E632 VanDerWaalsContact O-N 3.12Å; P630-K633 WeakPolarHBondContact O-CA 3.49Å; P630-K633 WeakPolarHBondContact O-CB 3.28Å; P630-K633 PolarHBondContact O-N 3.33Å; P630-Q634 PolarHBondContact O-N 3.36Å
631	S	93.8	Very high	93.8	Very high	93 Å²	93	49.8 Å²	49.8	65%	0.65	26%	0.257	S	S	*	.	H	α-helix	trans	-55	-34.9	-172.6	-45.1	0	0	0	0	114.2	Q634 Q635	S631-Q634 PolarHBondContact O-N 2.94Å; S631-Q635 WeakPolarHBondContact O-CB 3.31Å; S631-Q635 PolarHBondContact O-N 3.4Å
632	E	93.1	Very high	94.7	Very high	168 Å²	168	55.3 Å²	55.3	79%	0.785	27%	0.274	S	S	*	.	H	α-helix	trans	-61.3	-44.3	173.8	-58.3	-178.1	166.1	0	0	112.5	P630 T636	P630-E632 VanDerWaalsContact C-N 3.25Å; P630-E632 PolarHBondContact O-N 3.44Å; P630-E632 VanDerWaalsContact O-N 3.12Å; E632-T636 PolarHBondContact O-N 2.91Å; E632-T636 PolarHBondContact O-OG1 3.34Å
633	K	94.3	Very high	94.9	Very high	58 Å²	58	51.6 Å²	51.6	25%	0.252	28%	0.275	S	S	.	.	H	α-helix	trans	-68.7	-41.8	175.7	-60.6	-167.8	-175.9	179	0	110.1	M629 P630 Q635 T636 V637 G663 F684	M629-K633 HydrophobicContact CE-CB 3.55Å; M629-K633 HydrophobicContact SD-CB 3.61Å; M629-K633 HydrophobicContact SD-CD 3.95Å; M629-K633 HydrophobicContact SD-CG 4.44Å; P630-K633 WeakPolarHBondContact O-CA 3.49Å; P630-K633 WeakPolarHBondContact O-CB 3.28Å; P630-K633 PolarHBondContact O-N 3.33Å; K633-Q635 PolarHBondContact O-N 3.15Å; K633-T636 WeakPolarHBondContact O-CB 3.42Å; K633-T636 PolarHBondContact O-N 3.26Å; K633-T636 VanDerWaalsContact O-N 3.16Å; K633-V637 WeakPolarHBondContact O-CG2 3.35Å; K633-V637 PolarHBondContact O-N 3.36Å; K633-G663 PolarHBondContact NZ-O 2.91Å; K633-G663 VanDerWaalsContact NZ-O 3.16Å; K633-F684 HydrophobicContact CB-CD1 4.46Å; K633-F684 HydrophobicContact CB-CD2 4.26Å; K633-F684 HydrophobicContact CB-CE1 4.08Å; K633-F684 HydrophobicContact CB-CE2 3.89Å; K633-F684 HydrophobicContact CB-CZ 3.78Å; K633-F684 HydrophobicContact CD-CD1 3.64Å; K633-F684 HydrophobicContact CD-CE1 3.84Å; K633-F684 HydrophobicContact CD-CG 4.02Å; K633-F684 HydrophobicContact CD-CZ 4.4Å; K633-F684 HydrophobicContact CG-CD1 4.1Å; K633-F684 HydrophobicContact CG-CE1 3.75Å; K633-F684 HydrophobicContact CG-CE2 4.47Å; K633-F684 HydrophobicContact CG-CZ 3.96Å
634	Q	95.6	Very high	94.8	Very high	74 Å²	74	53.5 Å²	53.5	35%	0.346	29%	0.285	S	S	.	.	H	α-helix	trans	-58	-47.8	176.6	-63.6	-175.9	22	0	0	112.2	M626 M629 P630 S631 T636 V637 L638	M626-Q634 HydrophobicContact CE-CB 4.02Å; M626-Q634 HydrophobicContact CE-CG 4.1Å; M626-Q634 HydrophobicContact SD-CB 3.98Å; M626-Q634 HydrophobicContact SD-CG 4.08Å; M629-Q634 HydrophobicContact CB-CG 3.74Å; M629-Q634 WeakPolarHBondContact O-CG 3.45Å; M629-Q634 PolarHBondContact O-NE2 3.46Å; P630-Q634 PolarHBondContact O-N 3.36Å; S631-Q634 PolarHBondContact O-N 2.94Å; Q634-T636 PolarHBondContact O-N 3.13Å; Q634-V637 WeakPolarHBondContact O-CB 3.11Å; Q634-V637 PolarHBondContact O-N 3.02Å; Q634-L638 PolarHBondContact O-N 3.43Å
635	Q	95.4	Very high	94.5	Very high	104 Å²	104	55 Å²	55	49%	0.486	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-33.6	178.1	-176.9	64.9	-11.4	0	0	111.9	S631 K633 Q639	S631-Q635 WeakPolarHBondContact O-CB 3.31Å; S631-Q635 PolarHBondContact O-N 3.4Å; K633-Q635 PolarHBondContact O-N 3.15Å; Q635-Q639 WeakPolarHBondContact O-CB 2.97Å; Q635-Q639 VanDerWaalsContact O-CG 3.29Å; Q635-Q639 WeakPolarHBondContact O-CG 3.36Å; Q635-Q639 PolarHBondContact O-N 3.4Å
636	T	95.6	Very high	94.1	Very high	17 Å²	17	57.9 Å²	57.9	10%	0.104	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-44.2	172.4	-53.2	0	0	0	0	111.4	F133 E632 K633 Q634 Q639 V640 F684 L688	F133-T636 HydrophobicContact CE2-CG2 4.11Å; F133-T636 HydrophobicContact CZ-CG2 4.07Å; E632-T636 PolarHBondContact O-N 2.91Å; E632-T636 PolarHBondContact O-OG1 3.34Å; K633-T636 WeakPolarHBondContact O-CB 3.42Å; K633-T636 PolarHBondContact O-N 3.26Å; K633-T636 VanDerWaalsContact O-N 3.16Å; Q634-T636 PolarHBondContact O-N 3.13Å; T636-Q639 PolarHBondContact O-N 2.81Å; T636-V640 VanDerWaalsContact O-CG2 3.29Å; T636-V640 WeakPolarHBondContact O-CG2 3.47Å; T636-V640 PolarHBondContact O-N 2.79Å; T636-F684 HydrophobicContact CG2-CE2 4.38Å; T636-F684 HydrophobicContact CG2-CZ 4.02Å; T636-L688 HydrophobicContact CG2-CD2 4.44Å
637	V	96	Very high	94	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-46.3	175.3	-176.5	0	0	0	0	111.3	L624 M626 M629 K633 Q634 Q639 V640 V641 I649 F684 I687	L624-V637 HydrophobicContact CD2-CG1 3.93Å; M626-V637 HydrophobicContact CG-CG1 4.26Å; M626-V637 HydrophobicContact SD-CB 3.65Å; M626-V637 HydrophobicContact SD-CG1 3.89Å; M626-V637 HydrophobicContact SD-CG2 3.9Å; M629-V637 HydrophobicContact CE-CG2 3.32Å; K633-V637 WeakPolarHBondContact O-CG2 3.35Å; K633-V637 PolarHBondContact O-N 3.36Å; Q634-V637 WeakPolarHBondContact O-CB 3.11Å; Q634-V637 PolarHBondContact O-N 3.02Å; V637-Q639 VanDerWaalsContact C-N 3.3Å; V637-Q639 PolarHBondContact O-N 3.34Å; V637-V640 PolarHBondContact O-N 2.82Å; V637-V640 VanDerWaalsContact O-N 3.16Å; V637-V641 HydrophobicContact CG1-CG2 4.12Å; V637-V641 WeakPolarHBondContact O-CG2 3.4Å; V637-V641 PolarHBondContact O-N 2.86Å; V637-I649 HydrophobicContact CG1-CD1 4.2Å; V637-F684 HydrophobicContact CG2-CD2 4.18Å; V637-F684 HydrophobicContact CG2-CE2 3.96Å; V637-I687 HydrophobicContact CG1-CD1 4.18Å; V637-I687 HydrophobicContact CG2-CG1 4.13Å; V637-I687 HydrophobicContact CG2-CG2 4.18Å
638	L	95.3	Very high	93.9	Very high	73 Å²	73	59.4 Å²	59.4	38%	0.382	34%	0.341	S	S	.	.	H	α-helix	trans	-57.1	-43.6	177.9	-75.6	158.8	0	0	0	111.5	Q634 K642 I649	Q634-L638 PolarHBondContact O-N 3.43Å; L638-K642 WeakPolarHBondContact O-CB 3.28Å; L638-K642 PolarHBondContact O-N 3.39Å; L638-I649 HydrophobicContact CD2-CD1 3.65Å; L638-I649 HydrophobicContact CG-CD1 4.13Å
639	Q	93.8	Very high	93.9	Very high	65 Å²	65	60 Å²	60	30%	0.304	34%	0.341	S	S	.	.	H	α-helix	trans	-65.8	-42.7	175	-73.6	175	-8.1	0	0	112.7	L140 Q635 T636 V637 K642 A643	L140-Q639 HydrophobicContact CD1-CB 4.35Å; Q635-Q639 WeakPolarHBondContact O-CB 2.97Å; Q635-Q639 VanDerWaalsContact O-CG 3.29Å; Q635-Q639 WeakPolarHBondContact O-CG 3.36Å; Q635-Q639 PolarHBondContact O-N 3.4Å; T636-Q639 PolarHBondContact O-N 2.81Å; V637-Q639 VanDerWaalsContact C-N 3.3Å; V637-Q639 PolarHBondContact O-N 3.34Å; Q639-K642 PolarHBondContact O-N 3.34Å; Q639-A643 VanDerWaalsContact O-CB 3.28Å; Q639-A643 WeakPolarHBondContact O-CB 3.34Å; Q639-A643 PolarHBondContact O-N 2.76Å
640	V	95.2	Very high	94	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-66.5	-47.5	179.2	172.6	0	0	0	0	111.5	T636 V637 K642 A643 L644 I687 L691 W696	T636-V640 VanDerWaalsContact O-CG2 3.29Å; T636-V640 WeakPolarHBondContact O-CG2 3.47Å; T636-V640 PolarHBondContact O-N 2.79Å; V637-V640 PolarHBondContact O-N 2.82Å; V637-V640 VanDerWaalsContact O-N 3.16Å; V640-K642 VanDerWaalsContact C-N 3.33Å; V640-K642 PolarHBondContact O-N 3.48Å; V640-A643 PolarHBondContact O-N 2.82Å; V640-A643 VanDerWaalsContact O-N 3.14Å; V640-L644 HydrophobicContact CG1-CD1 3.73Å; V640-L644 HydrophobicContact CG1-CG 4.21Å; V640-L644 WeakPolarHBondContact O-CB 3.45Å; V640-L644 WeakPolarHBondContact O-CG 3.3Å; V640-L644 PolarHBondContact O-N 3.44Å; V640-I687 HydrophobicContact CB-CG2 4.01Å; V640-I687 HydrophobicContact CG1-CG2 4.15Å; V640-I687 HydrophobicContact CG2-CG2 3.86Å; V640-L691 HydrophobicContact CG2-CB 3.83Å; V640-L691 HydrophobicContact CG2-CD1 4.06Å; V640-L691 HydrophobicContact CG2-CD2 4.25Å; V640-L691 HydrophobicContact CG2-CG 4.25Å; V640-W696 HydrophobicContact CG1-CH2 3.91Å; V640-W696 HydrophobicContact CG1-CZ3 4.18Å
641	V	95.1	Very high	94	Very high	11 Å²	11	65.7 Å²	65.7	7%	0.067	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-40.5	176.9	171.1	0	0	0	0	111.1	L624 V637 A643 G645 F647 I649 W696	L624-V641 HydrophobicContact CD1-CG2 4.41Å; V637-V641 HydrophobicContact CG1-CG2 4.12Å; V637-V641 WeakPolarHBondContact O-CG2 3.4Å; V637-V641 PolarHBondContact O-N 2.86Å; V641-A643 VanDerWaalsContact C-N 3.3Å; V641-A643 PolarHBondContact O-N 3.15Å; V641-G645 WeakPolarHBondContact O-CA 3.42Å; V641-G645 PolarHBondContact O-N 3.31Å; V641-F647 HydrophobicContact CG1-CB 3.99Å; V641-F647 WeakPolarHBondContact CG1-O 3.37Å; V641-F647 HydrophobicContact CG2-CB 4.46Å; V641-I649 HydrophobicContact CB-CD1 3.86Å; V641-I649 HydrophobicContact CB-CG1 4.42Å; V641-I649 HydrophobicContact CG1-CD1 4.08Å; V641-I649 HydrophobicContact CG1-CG1 4.22Å; V641-I649 HydrophobicContact CG2-CD1 3.89Å; V641-I649 HydrophobicContact CG2-CG1 4.21Å; V641-W696 HydrophobicContact CG2-CH2 3.8Å; V641-W696 HydrophobicContact CG2-CZ2 4.26Å
642	K	93.6	Very high	93.9	Very high	189 Å²	189	68 Å²	68	82%	0.822	36%	0.362	S	S	*	.	H	α-helix	trans	-65.8	-29.9	175.1	-173.8	172.8	-179.1	176.4	0	113.3	L638 Q639 V640	L638-K642 WeakPolarHBondContact O-CB 3.28Å; L638-K642 PolarHBondContact O-N 3.39Å; Q639-K642 PolarHBondContact O-N 3.34Å; V640-K642 VanDerWaalsContact C-N 3.33Å; V640-K642 PolarHBondContact O-N 3.48Å
643	A	93.4	Very high	94	Very high	70 Å²	70	60.2 Å²	60.2	58%	0.579	33%	0.326	S	S	*	.	H	α-helix	trans	-86	-33.8	-179.6	0	0	0	0	0	114	Q639 V640 V641	Q639-A643 VanDerWaalsContact O-CB 3.28Å; Q639-A643 WeakPolarHBondContact O-CB 3.34Å; Q639-A643 PolarHBondContact O-N 2.76Å; V640-A643 PolarHBondContact O-N 2.82Å; V640-A643 VanDerWaalsContact O-N 3.14Å; V641-A643 VanDerWaalsContact C-N 3.3Å; V641-A643 PolarHBondContact O-N 3.15Å
644	L	92.9	Very high	93.8	Very high	45 Å²	45	59.4 Å²	59.4	24%	0.236	33%	0.327	C	S	.	.	H	α-helix	trans	-97.8	-21.7	-177.9	-58.6	-174.2	0	0	0	113.5	V640 C690 R694 W696	V640-L644 HydrophobicContact CG1-CD1 3.73Å; V640-L644 HydrophobicContact CG1-CG 4.21Å; V640-L644 WeakPolarHBondContact O-CB 3.45Å; V640-L644 WeakPolarHBondContact O-CG 3.3Å; V640-L644 PolarHBondContact O-N 3.44Å; L644-C690 HydrophobicContact CD1-CB 4.04Å; L644-R694 VanDerWaalsContact CD2-C 3.44Å; L644-R694 WeakPolarHBondContact CD2-O 3.38Å; L644-W696 HydrophobicContact CB-CD2 4.49Å; L644-W696 HydrophobicContact CB-CH2 4.47Å; L644-W696 HydrophobicContact CB-CZ2 3.64Å; L644-W696 HydrophobicContact CD1-CD2 4.04Å; L644-W696 HydrophobicContact CD1-CE3 4.19Å; L644-W696 HydrophobicContact CD1-CH2 4.17Å; L644-W696 HydrophobicContact CD1-CZ2 4.03Å; L644-W696 HydrophobicContact CD1-CZ3 4.26Å; L644-W696 HydrophobicContact CG-CZ2 4.39Å
645	G	91.4	Very high	93.5	Very high	31 Å²	31	62.4 Å²	62.4	32%	0.32	34%	0.341	S	S	.	.			trans	65	-164	-176.9	0	0	0	0	0	113.7	V641 F647 W696	V641-G645 WeakPolarHBondContact O-CA 3.42Å; V641-G645 PolarHBondContact O-N 3.31Å; G645-F647 PolarHBondContact O-N 2.79Å; G645-F647 VanDerWaalsContact O-N 3.11Å; G645-W696 WeakPolarHBondContact O-CZ2 3.41Å; G645-W696 PolarHBondContact O-NE1 3.31Å
646	G	88.7	Confident	93.3	Very high	62 Å²	62	59.9 Å²	59.9	64%	0.639	34%	0.335	S	S	*	.	S	Bend	trans	78.9	-19.8	176.2	0	0	0	0	0	116.1
647	F	93.6	Very high	93.2	Very high	23 Å²	23	59.1 Å²	59.1	10%	0.101	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	150.1	177	-69.4	-83.9	0	0	0	113.4	R622 L624 V641 G645 H659 W686 W696	R622-F647 HydrophobicContact CB-CD1 3.76Å; R622-F647 HydrophobicContact CB-CE1 3.72Å; R622-F647 VanDerWaalsContact O-CA 3.23Å; R622-F647 WeakPolarHBondContact O-CA 3.47Å; R622-F647 WeakPolarHBondContact O-CD1 3.39Å; L624-F647 HydrophobicContact CB-CB 4.25Å; L624-F647 HydrophobicContact CB-CD1 3.94Å; L624-F647 HydrophobicContact CB-CG 4.29Å; L624-F647 HydrophobicContact CD1-CD1 4.47Å; L624-F647 HydrophobicContact CD1-CG 4.44Å; V641-F647 HydrophobicContact CG1-CB 3.99Å; V641-F647 WeakPolarHBondContact CG1-O 3.37Å; V641-F647 HydrophobicContact CG2-CB 4.46Å; G645-F647 PolarHBondContact O-N 2.79Å; G645-F647 VanDerWaalsContact O-N 3.11Å; F647-H659 HydrophobicContact CE1-CB 4.42Å; F647-H659 AromaticContact CE1-CE1 3.67Å; F647-H659 AromaticContact CE1-CG 3.83Å; F647-H659 AromaticContact CE1-ND1 3.39Å; F647-H659 WeakPolarHBondContact CE1-ND1 3.29Å; F647-H659 AromaticContact CZ-CE1 3.51Å; F647-H659 AromaticContact CZ-ND1 3.7Å; F647-H659 AromaticContact CZ-NE2 3.69Å; F647-W686 HydrophobicContact CE2-CH2 4.17Å; F647-W686 HydrophobicContact CZ-CH2 4.22Å; F647-W696 HydrophobicContact CD2-CD2 4.13Å; F647-W696 AromaticContact CD2-CE2 3.58Å; F647-W696 HydrophobicContact CD2-CH2 4.06Å; F647-W696 AromaticContact CD2-CZ2 3.55Å; F647-W696 HydrophobicContact CD2-CZ2 3.55Å; F647-W696 AromaticContact CD2-NE1 3.88Å; F647-W696 AromaticContact CE2-CD2 3.75Å; F647-W696 HydrophobicContact CE2-CD2 3.75Å; F647-W696 AromaticContact CE2-CE2 3.68Å; F647-W696 HydrophobicContact CE2-CE3 4.13Å; F647-W696 HydrophobicContact CE2-CG 4.14Å; F647-W696 HydrophobicContact CE2-CH2 4.43Å; F647-W696 HydrophobicContact CE2-CZ2 4.05Å; F647-W696 HydrophobicContact CE2-CZ3 4.45Å; F647-W696 AromaticContact CE2-NE1 3.95Å
648	S	94.4	Very high	93.1	Very high	49 Å²	49	60.5 Å²	60.5	34%	0.343	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.2	163.6	-59.2	0	0	0	0	109.6	P621 R622 T623 L624	P621-S648 WeakPolarHBondContact CG-OG 3.41Å; R622-S648 PolarHBondContact O-N 3.12Å; T623-S648 CarbonylContact C-O 3.31Å; T623-S648 VanDerWaalsContact CA-O 3.25Å; T623-S648 WeakPolarHBondContact CA-O 3.4Å; L624-S648 PolarHBondContact N-O 3.28Å
649	I	94.6	Very high	93.1	Very high	48 Å²	48	57.1 Å²	57.1	25%	0.246	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	135.7	-179.5	-70.4	163.5	0	0	0	110	L624 M626 V637 L638 V641	L624-I649 HydrophobicContact CD2-CG1 4.31Å; L624-I649 WeakPolarHBondContact O-CA 3.49Å; M626-I649 HydrophobicContact CE-CG2 4.02Å; V637-I649 HydrophobicContact CG1-CD1 4.2Å; L638-I649 HydrophobicContact CD2-CD1 3.65Å; L638-I649 HydrophobicContact CG-CD1 4.13Å; V641-I649 HydrophobicContact CB-CD1 3.86Å; V641-I649 HydrophobicContact CB-CG1 4.42Å; V641-I649 HydrophobicContact CG1-CD1 4.08Å; V641-I649 HydrophobicContact CG1-CG1 4.22Å; V641-I649 HydrophobicContact CG2-CD1 3.89Å; V641-I649 HydrophobicContact CG2-CG1 4.21Å
650	I	94.9	Very high	93.3	Very high	63 Å²	63	54 Å²	54	32%	0.323	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.9	177.9	-55.5	-173.5	0	0	0	109.4	T623 L624 V625 R652	T623-I650 HydrophobicContact CG2-CD1 3.55Å; T623-I650 HydrophobicContact CG2-CG1 4.26Å; L624-I650 PolarHBondContact O-N 3.24Å; L624-I650 VanDerWaalsContact O-N 3.07Å; V625-I650 WeakPolarHBondContact CA-O 3.33Å; V625-I650 WeakPolarHBondContact CG2-O 3.44Å; I650-R652 WeakPolarHBondContact CG2-O 3.37Å
651	D	92.5	Very high	93.4	Very high	135 Å²	135	54 Å²	54	72%	0.722	31%	0.306	S	S	*	.	S	Bend	trans	-77.7	-23.2	-175.8	-53.2	-43.3	0	0	0	114.2	N670	D651-N670 PolarHBondContact O-ND2 3.03Å
652	R	92.8	Very high	93.4	Very high	140 Å²	140	53.6 Å²	53.6	53%	0.528	30%	0.304	S	S	.	.	S	Bend	trans	-125	147	178.9	-75.8	-176.8	171	-118.1	1.7	110.9	I650 S748	I650-R652 WeakPolarHBondContact CG2-O 3.37Å; R652-S748 PolarHBondContact NH1-OG 3.11Å
653	V	94.8	Very high	93.4	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.036	27%	0.27	C	S	.	.			trans	-67.9	131.8	172.8	-179.8	0	0	0	0	110.4	V625 T657 V660 N670 L673 R677	V625-V653 HydrophobicContact CB-CG2 4.24Å; V625-V653 HydrophobicContact CG1-CG2 4.13Å; V625-V653 HydrophobicContact CG2-CG2 4.07Å; V653-T657 HydrophobicContact CG1-CG2 4.04Å; V653-T657 HydrophobicContact CG2-CG2 4.44Å; V653-V660 HydrophobicContact CG2-CG2 3.83Å; V653-N670 HydrophobicContact CG2-CB 4.01Å; V653-N670 WeakPolarHBondContact CG2-O 3.33Å; V653-L673 HydrophobicContact CB-CB 3.8Å; V653-L673 HydrophobicContact CB-CD1 4.5Å; V653-L673 HydrophobicContact CG1-CB 4.02Å; V653-L673 HydrophobicContact CG2-CB 4.25Å; V653-R677 PolarHBondContact O-NH1 3.31Å
654	C	91.1	Very high	93.2	Very high	41 Å²	41	45.6 Å²	45.6	28%	0.277	26%	0.26	S	S	.	.			trans	-132.7	-178.7	173.7	62.7	0	0	0	0	110.6	S656 T657 R677	C654-S656 VanDerWaalsContact C-N 3.33Å; C654-S656 PolarHBondContact O-N 3.14Å; C654-S656 PolarHBondContact SG-OG 3.41Å; C654-T657 PolarHBondContact N-OG1 3.09Å; C654-T657 WeakPolarHBondContact O-CB 3.23Å; C654-T657 PolarHBondContact O-N 3.13Å; C654-T657 PolarHBondContact O-OG1 3.02Å; C654-T657 PolarHBondContact SG-OG1 2.98Å; C654-R677 WeakPolarHBondContact O-CD 3.19Å
655	E	88.8	Confident	92.9	Very high	137 Å²	137	48.7 Å²	48.7	64%	0.64	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-41.8	-177.8	-169.1	-156.6	126.5	0	0	113.5	T657 R718	E655-T657 PolarHBondContact O-N 2.9Å; E655-R718 PolarHBondContact O-NH2 3.04Å
656	S	90.3	Very high	92.9	Very high	51 Å²	51	52.3 Å²	52.3	36%	0.357	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.7	177.2	64.5	0	0	0	0	113.9	T623 C654	T623-S656 VanDerWaalsContact CG2-OG 3.24Å; T623-S656 WeakPolarHBondContact CG2-OG 2.86Å; T623-S656 PolarHBondContact N-O 3.03Å; T623-S656 PolarHBondContact OG1-O 3.48Å; T623-S656 PolarHBondContact OG1-OG 3.44Å; C654-S656 VanDerWaalsContact C-N 3.33Å; C654-S656 PolarHBondContact O-N 3.14Å; C654-S656 PolarHBondContact SG-OG 3.41Å
657	T	94.6	Very high	93.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	136	174.8	-56	0	0	0	0	110.2	T623 V625 V653 C654 E655 V660 C679 R718	T623-T657 WeakPolarHBondContact O-CA 3.45Å; T623-T657 WeakPolarHBondContact OG1-CA 2.98Å; T623-T657 PolarHBondContact OG1-N 2.84Å; T623-T657 PolarHBondContact OG1-OG1 2.8Å; V625-T657 HydrophobicContact CB-CG2 4.45Å; V625-T657 HydrophobicContact CG2-CG2 3.72Å; V653-T657 HydrophobicContact CG1-CG2 4.04Å; V653-T657 HydrophobicContact CG2-CG2 4.44Å; C654-T657 PolarHBondContact N-OG1 3.09Å; C654-T657 WeakPolarHBondContact O-CB 3.23Å; C654-T657 PolarHBondContact O-N 3.13Å; C654-T657 PolarHBondContact O-OG1 3.02Å; C654-T657 PolarHBondContact SG-OG1 2.98Å; E655-T657 PolarHBondContact O-N 2.9Å; T657-V660 HydrophobicContact CG2-CG2 4.23Å; T657-C679 PolarHBondContact O-SG 2.33Å; T657-R718 PolarHBondContact O-NH1 2.68Å; T657-R718 VanDerWaalsContact O-NH1 3.12Å
658	T	93.9	Very high	93.1	Very high	29 Å²	29	52.1 Å²	52.1	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	-21.4	178.5	54.5	0	0	0	0	112.4	R622 T623 W680	R622-T658 HydrophobicContact CG-CG2 4.21Å; T623-T658 PolarHBondContact O-N 3.24Å; T623-T658 VanDerWaalsContact O-N 3.11Å; T658-W680 PolarHBondContact O-N 3.16Å
659	H	95.8	Very high	93.1	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.014	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.6	-176.4	-65.1	61.1	0	0	0	110	L624 V625 F647 W680 W686 E699	L624-H659 WeakPolarHBondContact CA-O 3.44Å; L624-H659 HydrophobicContact CB-CB 4.49Å; L624-H659 HydrophobicContact CD1-CB 4.29Å; L624-H659 HydrophobicContact CG-CB 4.18Å; V625-H659 PolarHBondContact N-O 2.85Å; F647-H659 HydrophobicContact CE1-CB 4.42Å; F647-H659 AromaticContact CE1-CE1 3.67Å; F647-H659 AromaticContact CE1-CG 3.83Å; F647-H659 AromaticContact CE1-ND1 3.39Å; F647-H659 WeakPolarHBondContact CE1-ND1 3.29Å; F647-H659 AromaticContact CZ-CE1 3.51Å; F647-H659 AromaticContact CZ-ND1 3.7Å; F647-H659 AromaticContact CZ-NE2 3.69Å; H659-W680 AromaticContact CD2-CD1 3.99Å; H659-W680 AromaticContact CE1-CD1 3.55Å; H659-W680 AromaticContact ND1-CD1 3.97Å; H659-W680 AromaticContact NE2-CD1 3.58Å; H659-W686 AromaticContact CD2-CH2 3.44Å; H659-W686 VanDerWaalsContact CD2-CH2 3.44Å; H659-W686 WeakPolarHBondContact CD2-CH2 3.37Å; H659-W686 AromaticContact CD2-CZ2 3.85Å; H659-W686 AromaticContact CD2-CZ3 3.94Å; H659-W686 AromaticContact NE2-CH2 3.83Å; H659-W686 AromaticContact NE2-CZ2 3.9Å; H659-E699 IonicContact CE1-OE1 3.88Å; H659-E699 IonicContact NE2-OE1 3.22Å; H659-E699 PolarHBondContact NE2-OE1 3.12Å
660	V	97	Very high	93.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.8	170.2	-173.2	0	0	0	0	107.4	V625 T627 V653 T657 N670 I671 C679 W680 I681 L682	V625-V660 HydrophobicContact CB-CG1 4.49Å; V625-V660 HydrophobicContact CB-CG2 4.44Å; V625-V660 CarbonylContact O-C 3.59Å; V625-V660 WeakPolarHBondContact O-CA 3.49Å; T627-V660 HydrophobicContact CG2-CG1 3.98Å; V653-V660 HydrophobicContact CG2-CG2 3.83Å; T657-V660 HydrophobicContact CG2-CG2 4.23Å; V660-N670 HydrophobicContact CG1-CB 4.45Å; V660-I671 HydrophobicContact CG1-CD1 4.25Å; V660-C679 HydrophobicContact CG2-CB 4.27Å; V660-W680 PolarHBondContact N-O 2.94Å; V660-I681 HydrophobicContact CB-CD1 3.86Å; V660-I681 HydrophobicContact CG2-CD1 4Å; V660-L682 PolarHBondContact O-N 3.16Å
661	V	96.9	Very high	93.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.6	-178.8	-178.7	0	0	0	0	109.2	L624 V625 T627 L682 W686 I687	L624-V661 HydrophobicContact CD1-CG2 4.1Å; L624-V661 HydrophobicContact CD2-CG2 4.13Å; L624-V661 HydrophobicContact CG-CG2 4.2Å; V625-V661 PolarHBondContact O-N 3.02Å; T627-V661 PolarHBondContact N-O 3.06Å; V661-L682 WeakPolarHBondContact CA-O 3.47Å; V661-W686 HydrophobicContact CG2-CE3 4.29Å; V661-W686 HydrophobicContact CG2-CZ3 4.41Å; V661-I687 HydrophobicContact CG1-CG1 3.99Å; V661-I687 HydrophobicContact CG2-CD1 4.28Å; V661-I687 HydrophobicContact CG2-CG1 4.25Å
662	S	95.8	Very high	93.4	Very high	4 Å²	4	41 Å²	41	3%	0.028	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.9	179.7	-145.2	0	0	0	0	112.4	T627 E664 L682 F684	T627-S662 WeakPolarHBondContact CG2-OG 3.47Å; T627-S662 WeakPolarHBondContact O-CA 3.32Å; S662-E664 WeakPolarHBondContact CB-O 3.19Å; S662-E664 PolarHBondContact OG-O 2.9Å; S662-L682 PolarHBondContact N-O 2.81Å; S662-F684 PolarHBondContact O-N 3.25Å; S662-F684 VanDerWaalsContact O-N 3.09Å
663	G	92.8	Very high	93.5	Very high	11 Å²	11	34.3 Å²	34.3	11%	0.113	17%	0.173	C	C	.	.	S	Bend	trans	-89.3	-20.1	175.9	0	0	0	0	0	114.2	T627 S628 M629 K633	T627-G663 PolarHBondContact O-N 2.94Å; S628-G663 CarbonylContact O-C 3.55Å; S628-G663 VanDerWaalsContact O-C 3.29Å; S628-G663 WeakPolarHBondContact O-CA 3.38Å; S628-G663 PolarHBondContact O-N 2.84Å; M629-G663 WeakPolarHBondContact SD-CA 3.5Å; K633-G663 PolarHBondContact NZ-O 2.91Å; K633-G663 VanDerWaalsContact NZ-O 3.16Å
664	E	89	Confident	93.5	Very high	79 Å²	79	34 Å²	34	37%	0.369	17%	0.171	S	C	.	.	S	Bend	trans	-143.7	160.4	172.8	-61	-176.1	170.5	0	0	109.6	S628 S662 R666	S628-E664 PolarHBondContact O-N 3.16Å; S662-E664 WeakPolarHBondContact CB-O 3.19Å; S662-E664 PolarHBondContact OG-O 2.9Å; E664-R666 HydrophobicContact CB-CG 4.36Å; E664-R666 PolarHBondContact O-N 2.96Å; E664-R666 IonicContact OE1-NH2 3.66Å; E664-R666 IonicContact OE2-CZ 2.68Å; E664-R666 VanDerWaalsContact OE2-CZ 3.22Å; E664-R666 IonicContact OE2-NE 3.32Å; E664-R666 PolarHBondContact OE2-NE 3.01Å; E664-R666 IonicContact OE2-NH2 3.31Å; E664-R666 PolarHBondContact OE2-NH2 3.38Å
665	H	87.7	Confident	93.7	Very high	111 Å²	111	32.1 Å²	32.1	51%	0.514	16%	0.158	S	C	.	.			trans	-83.9	37.8	-175.6	-50	99.7	0	0	0	114	Q707	H665-Q707 HydrophobicContact CB-CB 4.4Å; H665-Q707 HydrophobicContact CB-CG 4Å; H665-Q707 PolarHBondContact CD2-OE1 2.98Å
666	R	90.8	Very high	93.9	Very high	107 Å²	107	25.6 Å²	25.6	40%	0.404	13%	0.127	S	C	.	.			trans	-85.9	143.3	-178.8	-59.4	-162.6	-159.7	-131	3.7	112	D431 E664 T668	D431-R666 IonicContact OD2-CZ 3.76Å; D431-R666 IonicContact OD2-NH1 2.73Å; D431-R666 PolarHBondContact OD2-NH1 3.39Å; E664-R666 HydrophobicContact CB-CG 4.36Å; E664-R666 PolarHBondContact O-N 2.96Å; E664-R666 IonicContact OE1-NH2 3.66Å; E664-R666 IonicContact OE2-CZ 2.68Å; E664-R666 VanDerWaalsContact OE2-CZ 3.22Å; E664-R666 IonicContact OE2-NE 3.32Å; E664-R666 PolarHBondContact OE2-NE 3.01Å; E664-R666 IonicContact OE2-NH2 3.31Å; E664-R666 PolarHBondContact OE2-NH2 3.38Å; R666-T668 VanDerWaalsContact C-N 3.32Å; R666-T668 HydrophobicContact CB-CG2 4.29Å; R666-T668 PolarHBondContact O-N 2.91Å
667	R	92.3	Very high	94	Very high	53 Å²	53	24.9 Å²	24.9	20%	0.2	12%	0.117	C	C	.	.			trans	-74.6	82.7	171.2	-175.1	172.9	71.1	178.6	1.7	110.7	L672 F708 L791 D792 T795	R667-L672 HydrophobicContact CG-CD1 4.03Å; R667-L672 HydrophobicContact CG-CD2 4.21Å; R667-L672 HydrophobicContact CG-CG 3.99Å; R667-F708 HydrophobicContact CB-CE1 4.22Å; R667-L791 VanDerWaalsContact NH1-C 3.35Å; R667-L791 PolarHBondContact NH1-O 3.48Å; R667-D792 IonicContact CZ-OD1 3.12Å; R667-D792 IonicContact NH1-OD1 3.47Å; R667-D792 PolarHBondContact NH1-OD1 3.19Å; R667-D792 IonicContact NH2-OD1 3.03Å; R667-D792 PolarHBondContact NH2-OD1 3.22Å; R667-T795 WeakPolarHBondContact CD-OG1 3.46Å; R667-T795 PolarHBondContact NH1-OG1 3.31Å
668	T	94.8	Very high	93.9	Very high	27 Å²	27	25.1 Å²	25.1	17%	0.166	12%	0.119	C	C	.	.			trans	-86.6	165.9	172.3	76.6	0	0	0	0	111.6	T627 S628 R666 N670 I671 L672	T627-T668 WeakPolarHBondContact OG1-CB 3.49Å; T627-T668 WeakPolarHBondContact OG1-CG2 3.33Å; T627-T668 PolarHBondContact OG1-OG1 3.14Å; S628-T668 VanDerWaalsContact OG-CG2 3.27Å; S628-T668 WeakPolarHBondContact OG-CG2 3.33Å; R666-T668 VanDerWaalsContact C-N 3.32Å; R666-T668 HydrophobicContact CB-CG2 4.29Å; R666-T668 PolarHBondContact O-N 2.91Å; T668-N670 VanDerWaalsContact C-N 3.27Å; T668-N670 PolarHBondContact O-N 3.09Å; T668-N670 PolarHBondContact OG1-N 3.44Å; T668-I671 WeakPolarHBondContact O-CB 3.31Å; T668-I671 PolarHBondContact O-N 3.1Å; T668-I671 VanDerWaalsContact O-N 3.16Å; T668-I671 PolarHBondContact OG1-N 2.84Å; T668-L672 PolarHBondContact O-N 3.1Å; T668-L672 VanDerWaalsContact O-N 3.11Å
669	L	94.5	Very high	93.9	Very high	37 Å²	37	23.8 Å²	23.8	19%	0.194	11%	0.111	C	C	.	.	H	α-helix	trans	-59.7	-36.2	172.7	-179	62.6	0	0	0	112.5	I671 L672 L673 L752	L669-I671 VanDerWaalsContact C-N 3.35Å; L669-L672 PolarHBondContact O-N 3.2Å; L669-L673 HydrophobicContact CD1-CD1 4.18Å; L669-L673 HydrophobicContact CD1-CG 4.13Å; L669-L673 HydrophobicContact CD2-CD1 4.47Å; L669-L673 HydrophobicContact CG-CD1 3.9Å; L669-L673 HydrophobicContact CG-CG 4.3Å; L669-L673 WeakPolarHBondContact O-CB 3.49Å; L669-L673 WeakPolarHBondContact O-CG 3.46Å; L669-L673 PolarHBondContact O-N 2.87Å; L669-L752 HydrophobicContact CD1-CD1 3.88Å
670	N	95.9	Very high	93.9	Very high	20 Å²	20	25.7 Å²	25.7	11%	0.107	12%	0.118	C	C	.	.	H	α-helix	trans	-68	-32.5	176.1	-78.1	-11	0	0	0	112.1	V625 T627 D651 V653 V660 T668 G674	V625-N670 HydrophobicContact CG1-CB 4.14Å; V625-N670 WeakPolarHBondContact CG1-ND2 3.43Å; T627-N670 HydrophobicContact CG2-CB 4.49Å; D651-N670 PolarHBondContact O-ND2 3.03Å; V653-N670 HydrophobicContact CG2-CB 4.01Å; V653-N670 WeakPolarHBondContact CG2-O 3.33Å; V660-N670 HydrophobicContact CG1-CB 4.45Å; T668-N670 VanDerWaalsContact C-N 3.27Å; T668-N670 PolarHBondContact O-N 3.09Å; T668-N670 PolarHBondContact OG1-N 3.44Å; N670-G674 PolarHBondContact O-N 3.29Å
671	I	96.1	Very high	93.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-48.5	170.7	-62.8	-65.6	0	0	0	110.2	T627 V660 T668 L669 G674 I675 I681 F708	T627-I671 HydrophobicContact CG2-CD1 3.66Å; T627-I671 HydrophobicContact CG2-CG1 3.86Å; V660-I671 HydrophobicContact CG1-CD1 4.25Å; T668-I671 WeakPolarHBondContact O-CB 3.31Å; T668-I671 PolarHBondContact O-N 3.1Å; T668-I671 VanDerWaalsContact O-N 3.16Å; T668-I671 PolarHBondContact OG1-N 2.84Å; L669-I671 VanDerWaalsContact C-N 3.35Å; I671-G674 PolarHBondContact O-N 2.82Å; I671-I675 HydrophobicContact CG2-CD1 3.79Å; I671-I675 HydrophobicContact CG2-CG1 4.43Å; I671-I675 WeakPolarHBondContact O-CG1 3.35Å; I671-I675 PolarHBondContact O-N 2.88Å; I671-I681 HydrophobicContact CD1-CG2 3.63Å; I671-I681 HydrophobicContact CG2-CG2 4.44Å; I671-F708 HydrophobicContact CD1-CE2 4.45Å; I671-F708 HydrophobicContact CG2-CD1 3.93Å; I671-F708 HydrophobicContact CG2-CD2 4.05Å; I671-F708 HydrophobicContact CG2-CE1 3.91Å; I671-F708 HydrophobicContact CG2-CE2 4.02Å; I671-F708 HydrophobicContact CG2-CG 4.01Å; I671-F708 HydrophobicContact CG2-CZ 3.96Å
672	L	95.5	Very high	93.8	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-44.7	-178.7	-72.6	171	0	0	0	113.1	R667 T668 L669 G674 I675 A676 L752 L791 I794	R667-L672 HydrophobicContact CG-CD1 4.03Å; R667-L672 HydrophobicContact CG-CD2 4.21Å; R667-L672 HydrophobicContact CG-CG 3.99Å; T668-L672 PolarHBondContact O-N 3.1Å; T668-L672 VanDerWaalsContact O-N 3.11Å; L669-L672 PolarHBondContact O-N 3.2Å; L672-G674 VanDerWaalsContact C-N 3.27Å; L672-G674 PolarHBondContact O-N 3.26Å; L672-I675 PolarHBondContact O-N 2.83Å; L672-A676 WeakPolarHBondContact O-CB 3.5Å; L672-A676 PolarHBondContact O-N 3.04Å; L672-L752 HydrophobicContact CB-CD1 4.24Å; L672-L752 HydrophobicContact CB-CD2 3.99Å; L672-L791 HydrophobicContact CD1-CB 4.14Å; L672-L791 HydrophobicContact CD1-CD2 3.55Å; L672-L791 HydrophobicContact CD1-CG 4.32Å; L672-I794 HydrophobicContact CD2-CB 4.25Å; L672-I794 HydrophobicContact CD2-CG2 3.89Å
673	L	95.1	Very high	93.8	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-65	-32.3	174.4	-71.1	172.2	0	0	0	111.9	V653 L669 R677 E751 L752 L755	V653-L673 HydrophobicContact CB-CB 3.8Å; V653-L673 HydrophobicContact CB-CD1 4.5Å; V653-L673 HydrophobicContact CG1-CB 4.02Å; V653-L673 HydrophobicContact CG2-CB 4.25Å; L669-L673 HydrophobicContact CD1-CD1 4.18Å; L669-L673 HydrophobicContact CD1-CG 4.13Å; L669-L673 HydrophobicContact CD2-CD1 4.47Å; L669-L673 HydrophobicContact CG-CD1 3.9Å; L669-L673 HydrophobicContact CG-CG 4.3Å; L669-L673 WeakPolarHBondContact O-CB 3.49Å; L669-L673 WeakPolarHBondContact O-CG 3.46Å; L669-L673 PolarHBondContact O-N 2.87Å; L673-R677 WeakPolarHBondContact O-CB 3.46Å; L673-R677 WeakPolarHBondContact O-CG 3.25Å; L673-R677 PolarHBondContact O-N 3.21Å; L673-R677 VanDerWaalsContact O-N 3.07Å; L673-E751 HydrophobicContact CD2-CB 4.45Å; L673-E751 VanDerWaalsContact CD2-CD 3.44Å; L673-E751 HydrophobicContact CD2-CG 3.86Å; L673-L752 HydrophobicContact CD2-CD2 3.69Å; L673-L752 HydrophobicContact CD2-CG 3.82Å; L673-L752 HydrophobicContact CG-CD2 4.17Å; L673-L752 HydrophobicContact CG-CG 4.47Å; L673-L755 HydrophobicContact CD2-CD1 4.1Å
674	G	95.1	Very high	94	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67	-43.1	172.5	0	0	0	0	0	112.5	N670 I671 L672 R677 G678 C679	N670-G674 PolarHBondContact O-N 3.29Å; I671-G674 PolarHBondContact O-N 2.82Å; L672-G674 VanDerWaalsContact C-N 3.27Å; L672-G674 PolarHBondContact O-N 3.26Å; G674-R677 CarbonylContact O-C 3.29Å; G674-R677 PolarHBondContact O-N 3.32Å; G674-G678 PolarHBondContact O-N 2.94Å; G674-C679 WeakPolarHBondContact O-CB 3.29Å; G674-C679 PolarHBondContact O-N 2.83Å
675	I	94.6	Very high	94.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.3	-47.9	174.5	-67.8	165.1	0	0	0	110.4	I671 L672 R677 G678 I681 F708 A710 A711 C714 Q727 I794	I671-I675 HydrophobicContact CG2-CD1 3.79Å; I671-I675 HydrophobicContact CG2-CG1 4.43Å; I671-I675 WeakPolarHBondContact O-CG1 3.35Å; I671-I675 PolarHBondContact O-N 2.88Å; L672-I675 PolarHBondContact O-N 2.83Å; I675-R677 VanDerWaalsContact C-N 3.26Å; I675-R677 PolarHBondContact O-N 2.99Å; I675-G678 PolarHBondContact O-N 3.27Å; I675-I681 HydrophobicContact CG1-CG1 4.2Å; I675-F708 HydrophobicContact CD1-CB 4.11Å; I675-F708 HydrophobicContact CD1-CD1 4.47Å; I675-F708 HydrophobicContact CD1-CG 4.46Å; I675-A710 HydrophobicContact CG2-CB 3.65Å; I675-A711 HydrophobicContact CG1-CB 4.08Å; I675-C714 HydrophobicContact CG2-CB 4.45Å; I675-C714 WeakPolarHBondContact O-CB 3.43Å; I675-Q727 PolarHBondContact O-NE2 3.32Å; I675-I794 HydrophobicContact CG2-CG2 4.05Å
676	A	93.9	Very high	94.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-60.2	-34.7	178.8	0	0	0	0	0	112.5	L672 H725 Q727 L752 L755	L672-A676 WeakPolarHBondContact O-CB 3.5Å; L672-A676 PolarHBondContact O-N 3.04Å; A676-H725 PolarHBondContact O-NE2 2.91Å; A676-Q727 PolarHBondContact O-NE2 3.06Å; A676-Q727 VanDerWaalsContact O-NE2 3.09Å; A676-L752 HydrophobicContact CB-CD2 3.99Å; A676-L755 HydrophobicContact CB-CB 3.95Å; A676-L755 HydrophobicContact CB-CD1 4.12Å
677	R	92.3	Very high	95	Very high	35 Å²	35	14.3 Å²	14.3	13%	0.132	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	9	174.1	-68.4	-172.9	173.3	97.2	-3.6	114.8	V653 C654 L673 G674 I675 C679 R718 E751 L755	V653-R677 PolarHBondContact O-NH1 3.31Å; C654-R677 WeakPolarHBondContact O-CD 3.19Å; L673-R677 WeakPolarHBondContact O-CB 3.46Å; L673-R677 WeakPolarHBondContact O-CG 3.25Å; L673-R677 PolarHBondContact O-N 3.21Å; L673-R677 VanDerWaalsContact O-N 3.07Å; G674-R677 CarbonylContact O-C 3.29Å; G674-R677 PolarHBondContact O-N 3.32Å; I675-R677 VanDerWaalsContact C-N 3.26Å; I675-R677 PolarHBondContact O-N 2.99Å; R677-C679 PolarHBondContact O-N 3.09Å; R677-C679 VanDerWaalsContact O-N 3.16Å; R677-R718 WeakPolarHBondContact O-CD 3.23Å; R677-R718 PolarHBondContact O-NH1 2.8Å; R677-E751 IonicContact CZ-OE1 2.68Å; R677-E751 VanDerWaalsContact CZ-OE1 3.22Å; R677-E751 IonicContact NH1-OE1 2.9Å; R677-E751 PolarHBondContact NH1-OE1 2.95Å; R677-E751 IonicContact NH2-OE1 3.94Å; R677-E751 PolarHBondContact NH2-OE1 3.18Å; R677-L755 HydrophobicContact CG-CD1 3.99Å; R677-L755 HydrophobicContact CG-CD2 3.98Å
678	G	92.8	Very high	95.1	Very high	5 Å²	5	12.5 Å²	12.5	5%	0.052	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	33.1	-179.9	0	0	0	0	0	114.6	G674 I675 R715	G674-G678 PolarHBondContact O-N 2.94Å; I675-G678 PolarHBondContact O-N 3.27Å; G678-R715 WeakPolarHBondContact O-CA 3.21Å
679	C	94.1	Very high	95.1	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.007	6%	0.064	C	C	.	.			trans	-74.3	156.4	175.9	-63.6	0	0	0	0	111.3	T657 V660 G674 R677 I681	T657-C679 PolarHBondContact O-SG 2.33Å; V660-C679 HydrophobicContact CG2-CB 4.27Å; G674-C679 WeakPolarHBondContact O-CB 3.29Å; G674-C679 PolarHBondContact O-N 2.83Å; R677-C679 PolarHBondContact O-N 3.09Å; R677-C679 VanDerWaalsContact O-N 3.16Å; C679-I681 PolarHBondContact O-N 3.01Å
680	W	95.5	Very high	95.2	Very high	44 Å²	44	12 Å²	12	17%	0.167	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	121.9	164.4	-71.2	115.2	0	0	0	110.2	T658 H659 V660 L682 E699 E700 E703 R715	T658-W680 PolarHBondContact O-N 3.16Å; H659-W680 AromaticContact CD2-CD1 3.99Å; H659-W680 AromaticContact CE1-CD1 3.55Å; H659-W680 AromaticContact ND1-CD1 3.97Å; H659-W680 AromaticContact NE2-CD1 3.58Å; V660-W680 PolarHBondContact N-O 2.94Å; W680-L682 HydrophobicContact CB-CD1 4.13Å; W680-L682 HydrophobicContact CB-CD2 3.97Å; W680-L682 HydrophobicContact CB-CG 3.88Å; W680-L682 HydrophobicContact CE3-CD2 4.04Å; W680-E699 HydrophobicContact CD2-CB 3.49Å; W680-E699 VanDerWaalsContact CD2-CB 3.49Å; W680-E699 HydrophobicContact CD2-CG 4.02Å; W680-E699 HydrophobicContact CE3-CB 3.59Å; W680-E699 HydrophobicContact CG-CB 4.09Å; W680-E699 HydrophobicContact CG-CG 4.25Å; W680-E699 HydrophobicContact CH2-CB 3.89Å; W680-E699 HydrophobicContact CZ2-CB 3.77Å; W680-E699 HydrophobicContact CZ2-CG 4.18Å; W680-E699 HydrophobicContact CZ3-CB 3.79Å; W680-E699 PolarHBondContact NE1-OE1 3.39Å; W680-E700 HydrophobicContact CH2-CB 4.01Å; W680-E700 HydrophobicContact CZ3-CB 4.01Å; W680-E703 HydrophobicContact CE3-CG 4.48Å; W680-R715 VanDerWaalsContact CH2-CZ 3.4Å
681	I	96.4	Very high	95.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	100.1	173.2	-53.4	-56.5	0	0	0	108.2	V660 I671 I675 C679 E703 L704 F708 A711	V660-I681 HydrophobicContact CB-CD1 3.86Å; V660-I681 HydrophobicContact CG2-CD1 4Å; I671-I681 HydrophobicContact CD1-CG2 3.63Å; I671-I681 HydrophobicContact CG2-CG2 4.44Å; I675-I681 HydrophobicContact CG1-CG1 4.2Å; C679-I681 PolarHBondContact O-N 3.01Å; I681-E703 CarbonylContact O-C 3.5Å; I681-E703 WeakPolarHBondContact O-CA 3.48Å; I681-L704 HydrophobicContact CG2-CB 4.26Å; I681-L704 HydrophobicContact CG2-CD1 4.28Å; I681-L704 PolarHBondContact O-N 3.42Å; I681-F708 HydrophobicContact CG2-CD2 4.17Å; I681-A711 HydrophobicContact CB-CB 3.93Å; I681-A711 HydrophobicContact CG1-CB 3.6Å
682	L	96	Very high	94.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	150.5	-166.3	-54.3	-177.5	0	0	0	112.8	V660 V661 S662 W680 W686 E699 Y702 E703	V660-L682 PolarHBondContact O-N 3.16Å; V661-L682 WeakPolarHBondContact CA-O 3.47Å; S662-L682 PolarHBondContact N-O 2.81Å; W680-L682 HydrophobicContact CB-CD1 4.13Å; W680-L682 HydrophobicContact CB-CD2 3.97Å; W680-L682 HydrophobicContact CB-CG 3.88Å; W680-L682 HydrophobicContact CE3-CD2 4.04Å; L682-W686 HydrophobicContact CB-CB 4.43Å; L682-W686 HydrophobicContact CD1-CB 4.3Å; L682-W686 HydrophobicContact CD1-CD2 3.53Å; L682-W686 HydrophobicContact CD1-CE3 3.72Å; L682-W686 HydrophobicContact CD1-CG 3.8Å; L682-W686 HydrophobicContact CD1-CZ2 4.4Å; L682-W686 HydrophobicContact CD1-CZ3 4.25Å; L682-E699 HydrophobicContact CD1-CB 3.94Å; L682-E699 HydrophobicContact CD1-CG 4.17Å; L682-E699 HydrophobicContact CD2-CB 4.05Å; L682-Y702 WeakPolarHBondContact CA-O 3.39Å; L682-E703 HydrophobicContact CD2-CB 4.21Å
683	S	95.8	Very high	94.7	Very high	20 Å²	20	18.4 Å²	18.4	14%	0.14	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	156.8	165.8	73.9	0	0	0	0	111.7	E685 W686 Y702	S683-E685 PolarHBondContact O-N 3.43Å; S683-E685 WeakPolarHBondContact OG-CB 3.26Å; S683-E685 PolarHBondContact OG-N 3Å; S683-W686 PolarHBondContact O-N 3.4Å; S683-Y702 PolarHBondContact N-O 2.9Å
684	F	95.6	Very high	94.6	Very high	22 Å²	22	24 Å²	24	10%	0.096	11%	0.106	C	C	.	.	H	α-helix	trans	-55.4	-20.4	169.1	179.4	-119.8	0	0	0	113.8	M629 K633 T636 V637 S662 W686 I687 L688	M629-F684 HydrophobicContact CE-CD2 3.55Å; M629-F684 HydrophobicContact CE-CE2 3.86Å; M629-F684 HydrophobicContact CE-CG 4.39Å; M629-F684 HydrophobicContact SD-CB 4.2Å; M629-F684 HydrophobicContact SD-CD2 3.92Å; M629-F684 HydrophobicContact SD-CG 4.19Å; K633-F684 HydrophobicContact CB-CD1 4.46Å; K633-F684 HydrophobicContact CB-CD2 4.26Å; K633-F684 HydrophobicContact CB-CE1 4.08Å; K633-F684 HydrophobicContact CB-CE2 3.89Å; K633-F684 HydrophobicContact CB-CZ 3.78Å; K633-F684 HydrophobicContact CD-CD1 3.64Å; K633-F684 HydrophobicContact CD-CE1 3.84Å; K633-F684 HydrophobicContact CD-CG 4.02Å; K633-F684 HydrophobicContact CD-CZ 4.4Å; K633-F684 HydrophobicContact CG-CD1 4.1Å; K633-F684 HydrophobicContact CG-CE1 3.75Å; K633-F684 HydrophobicContact CG-CE2 4.47Å; K633-F684 HydrophobicContact CG-CZ 3.96Å; T636-F684 HydrophobicContact CG2-CE2 4.38Å; T636-F684 HydrophobicContact CG2-CZ 4.02Å; V637-F684 HydrophobicContact CG2-CD2 4.18Å; V637-F684 HydrophobicContact CG2-CE2 3.96Å; S662-F684 PolarHBondContact O-N 3.25Å; S662-F684 VanDerWaalsContact O-N 3.09Å; F684-W686 VanDerWaalsContact C-N 3.25Å; F684-W686 PolarHBondContact O-N 3.29Å; F684-I687 HydrophobicContact CD2-CB 4.24Å; F684-I687 HydrophobicContact CE2-CB 4.35Å; F684-I687 HydrophobicContact CE2-CG2 4.21Å; F684-I687 WeakPolarHBondContact O-CB 3.17Å; F684-I687 PolarHBondContact O-N 2.85Å; F684-L688 HydrophobicContact CD1-CD1 3.55Å; F684-L688 HydrophobicContact CD1-CD2 4.42Å; F684-L688 HydrophobicContact CD1-CG 3.97Å; F684-L688 HydrophobicContact CE1-CD1 3.56Å; F684-L688 HydrophobicContact CE1-CD2 3.66Å; F684-L688 HydrophobicContact CE1-CG 3.71Å; F684-L688 HydrophobicContact CG-CD1 4.42Å; F684-L688 HydrophobicContact CZ-CD1 4.39Å; F684-L688 HydrophobicContact CZ-CD2 3.75Å; F684-L688 HydrophobicContact CZ-CG 4.05Å; F684-L688 PolarHBondContact O-N 2.86Å
685	E	94.9	Very high	94.5	Very high	30 Å²	30	29.5 Å²	29.5	14%	0.14	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-31.8	179.2	-55.5	-125.2	118.7	0	0	112.6	T122 I123 S683 I687 L688 W689 Y702	T122-E685 WeakPolarHBondContact CA-OE1 3.47Å; T122-E685 WeakPolarHBondContact CA-OE2 3.27Å; T122-E685 WeakPolarHBondContact CB-OE1 2.75Å; T122-E685 WeakPolarHBondContact CG2-OE2 3.07Å; I123-E685 PolarHBondContact N-OE1 2.78Å; S683-E685 PolarHBondContact O-N 3.43Å; S683-E685 WeakPolarHBondContact OG-CB 3.26Å; S683-E685 PolarHBondContact OG-N 3Å; E685-I687 VanDerWaalsContact C-N 3.31Å; E685-I687 PolarHBondContact O-N 3.12Å; E685-L688 WeakPolarHBondContact O-CB 3.42Å; E685-L688 PolarHBondContact O-N 3.28Å; E685-L688 VanDerWaalsContact O-N 3.13Å; E685-W689 VanDerWaalsContact O-CD1 3.23Å; E685-W689 PolarHBondContact O-N 3.04Å; E685-Y702 HydrophobicContact CB-CD1 3.99Å; E685-Y702 HydrophobicContact CB-CE1 4.34Å
686	W	96.5	Very high	94.5	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-57	-44.9	175.3	179.2	71.9	0	0	0	111.7	L624 F647 H659 V661 L682 S683 F684 L688 W689 C690 W696 I697 E699 Y702	L624-W686 HydrophobicContact CD1-CZ3 3.96Å; F647-W686 HydrophobicContact CE2-CH2 4.17Å; F647-W686 HydrophobicContact CZ-CH2 4.22Å; H659-W686 AromaticContact CD2-CH2 3.44Å; H659-W686 VanDerWaalsContact CD2-CH2 3.44Å; H659-W686 WeakPolarHBondContact CD2-CH2 3.37Å; H659-W686 AromaticContact CD2-CZ2 3.85Å; H659-W686 AromaticContact CD2-CZ3 3.94Å; H659-W686 AromaticContact NE2-CH2 3.83Å; H659-W686 AromaticContact NE2-CZ2 3.9Å; V661-W686 HydrophobicContact CG2-CE3 4.29Å; V661-W686 HydrophobicContact CG2-CZ3 4.41Å; L682-W686 HydrophobicContact CB-CB 4.43Å; L682-W686 HydrophobicContact CD1-CB 4.3Å; L682-W686 HydrophobicContact CD1-CD2 3.53Å; L682-W686 HydrophobicContact CD1-CE3 3.72Å; L682-W686 HydrophobicContact CD1-CG 3.8Å; L682-W686 HydrophobicContact CD1-CZ2 4.4Å; L682-W686 HydrophobicContact CD1-CZ3 4.25Å; S683-W686 PolarHBondContact O-N 3.4Å; F684-W686 VanDerWaalsContact C-N 3.25Å; F684-W686 PolarHBondContact O-N 3.29Å; W686-L688 VanDerWaalsContact C-N 3.34Å; W686-L688 PolarHBondContact O-N 3Å; W686-W689 PolarHBondContact O-N 3.49Å; W686-C690 WeakPolarHBondContact O-CB 3.24Å; W686-C690 PolarHBondContact O-N 3.25Å; W686-C690 PolarHBondContact O-SG 2.91Å; W686-W696 HydrophobicContact CH2-CD2 4.33Å; W686-W696 AromaticContact CH2-CE3 3.38Å; W686-W696 HydrophobicContact CH2-CE3 3.38Å; W686-W696 AromaticContact CH2-CZ3 3.6Å; W686-W696 HydrophobicContact CH2-CZ3 3.6Å; W686-W696 AromaticContact CZ2-CE3 3.69Å; W686-W696 HydrophobicContact CZ2-CE3 3.69Å; W686-W696 HydrophobicContact CZ2-CZ3 4.3Å; W686-W696 AromaticContact CZ3-CE3 3.98Å; W686-W696 HydrophobicContact CZ3-CE3 3.98Å; W686-W696 AromaticContact CZ3-CZ3 3.73Å; W686-W696 HydrophobicContact CZ3-CZ3 3.73Å; W686-I697 PolarHBondContact NE1-O 3.07Å; W686-E699 HydrophobicContact CZ2-CG 4.01Å; W686-Y702 HydrophobicContact CB-CD2 4.16Å; W686-Y702 HydrophobicContact CB-CG 3.91Å; W686-Y702 AromaticContact CD1-CD2 3.69Å; W686-Y702 HydrophobicContact CG-CD2 4.34Å
687	I	96.6	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-41.7	176.7	-62.6	-66.3	0	0	0	111.1	L624 V637 V640 V661 F684 E685 C690 L691 W696	L624-I687 HydrophobicContact CD1-CD1 4.41Å; V637-I687 HydrophobicContact CG1-CD1 4.18Å; V637-I687 HydrophobicContact CG2-CG1 4.13Å; V637-I687 HydrophobicContact CG2-CG2 4.18Å; V640-I687 HydrophobicContact CB-CG2 4.01Å; V640-I687 HydrophobicContact CG1-CG2 4.15Å; V640-I687 HydrophobicContact CG2-CG2 3.86Å; V661-I687 HydrophobicContact CG1-CG1 3.99Å; V661-I687 HydrophobicContact CG2-CD1 4.28Å; V661-I687 HydrophobicContact CG2-CG1 4.25Å; F684-I687 HydrophobicContact CD2-CB 4.24Å; F684-I687 HydrophobicContact CE2-CB 4.35Å; F684-I687 HydrophobicContact CE2-CG2 4.21Å; F684-I687 WeakPolarHBondContact O-CB 3.17Å; F684-I687 PolarHBondContact O-N 2.85Å; E685-I687 VanDerWaalsContact C-N 3.31Å; E685-I687 PolarHBondContact O-N 3.12Å; I687-C690 PolarHBondContact O-N 3.29Å; I687-L691 PolarHBondContact O-N 3.15Å; I687-W696 HydrophobicContact CD1-CZ3 4.07Å
688	L	94.6	Very high	94.7	Very high	15 Å²	15	36.6 Å²	36.6	8%	0.079	17%	0.171	C	C	.	.	H	α-helix	trans	-65.3	-40.4	-179.7	-65.1	170.2	0	0	0	112	I123 F133 T636 F684 E685 W686 L691 E692	I123-L688 HydrophobicContact CD1-CB 3.97Å; I123-L688 HydrophobicContact CD1-CD1 3.66Å; I123-L688 HydrophobicContact CD1-CD2 3.81Å; I123-L688 HydrophobicContact CD1-CG 4.02Å; I123-L688 HydrophobicContact CG1-CD1 4.03Å; F133-L688 HydrophobicContact CD2-CD2 3.83Å; F133-L688 HydrophobicContact CE1-CD2 4.48Å; F133-L688 HydrophobicContact CE2-CD2 3.27Å; F133-L688 HydrophobicContact CZ-CD2 3.65Å; T636-L688 HydrophobicContact CG2-CD2 4.44Å; F684-L688 HydrophobicContact CD1-CD1 3.55Å; F684-L688 HydrophobicContact CD1-CD2 4.42Å; F684-L688 HydrophobicContact CD1-CG 3.97Å; F684-L688 HydrophobicContact CE1-CD1 3.56Å; F684-L688 HydrophobicContact CE1-CD2 3.66Å; F684-L688 HydrophobicContact CE1-CG 3.71Å; F684-L688 HydrophobicContact CG-CD1 4.42Å; F684-L688 HydrophobicContact CZ-CD1 4.39Å; F684-L688 HydrophobicContact CZ-CD2 3.75Å; F684-L688 HydrophobicContact CZ-CG 4.05Å; F684-L688 PolarHBondContact O-N 2.86Å; E685-L688 WeakPolarHBondContact O-CB 3.42Å; E685-L688 PolarHBondContact O-N 3.28Å; E685-L688 VanDerWaalsContact O-N 3.13Å; W686-L688 VanDerWaalsContact C-N 3.34Å; W686-L688 PolarHBondContact O-N 3Å; L688-L691 PolarHBondContact O-N 3.35Å; L688-E692 PolarHBondContact O-N 2.98Å; L688-E692 VanDerWaalsContact O-N 3.11Å
689	W	95.9	Very high	94.8	Very high	53 Å²	53	38.4 Å²	38.4	20%	0.201	18%	0.179	C	C	.	.	H	α-helix	trans	-74.4	-34.8	174.5	-76	105.1	0	0	0	112.7	R121 L129 E685 W686 L691 E692 Q693 I697 Y702	R121-W689 HydrophobicContact CB-CZ2 3.94Å; L129-W689 HydrophobicContact CD2-CH2 3.78Å; L129-W689 HydrophobicContact CD2-CZ2 3.56Å; E685-W689 VanDerWaalsContact O-CD1 3.23Å; E685-W689 PolarHBondContact O-N 3.04Å; W686-W689 PolarHBondContact O-N 3.49Å; W689-L691 VanDerWaalsContact C-N 3.28Å; W689-L691 PolarHBondContact O-N 3.35Å; W689-E692 HydrophobicContact CE3-CG 4.5Å; W689-E692 PolarHBondContact O-N 3.47Å; W689-Q693 WeakPolarHBondContact O-CB 3.32Å; W689-Q693 WeakPolarHBondContact O-CG 3.42Å; W689-Q693 PolarHBondContact O-N 3.3Å; W689-I697 HydrophobicContact CB-CD1 3.27Å; W689-I697 HydrophobicContact CG-CD1 4.38Å; W689-Y702 AromaticContact CD1-CE1 3.36Å; W689-Y702 AromaticContact CD1-CZ 3.65Å; W689-Y702 HydrophobicContact CG-CE1 4.12Å; W689-Y702 AromaticContact CG-CZ 3.96Å; W689-Y702 VanDerWaalsContact CG-OH 3.32Å; W689-Y702 AromaticContact NE1-CE1 3.88Å
690	C	95.3	Very high	94.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-39.3	170.2	-69.2	0	0	0	0	111.7	L644 W686 I687 R694 Q695 W696 I697	L644-C690 HydrophobicContact CD1-CB 4.04Å; W686-C690 WeakPolarHBondContact O-CB 3.24Å; W686-C690 PolarHBondContact O-N 3.25Å; W686-C690 PolarHBondContact O-SG 2.91Å; I687-C690 PolarHBondContact O-N 3.29Å; C690-R694 WeakPolarHBondContact O-CA 3.25Å; C690-R694 PolarHBondContact O-N 2.93Å; C690-Q695 VanDerWaalsContact CA-O 3.26Å; C690-Q695 WeakPolarHBondContact CA-O 3.48Å; C690-Q695 WeakPolarHBondContact CB-O 3.18Å; C690-Q695 PolarHBondContact O-N 3.07Å; C690-W696 HydrophobicContact CB-CE3 4.04Å; C690-W696 HydrophobicContact CB-CZ3 4.2Å; C690-I697 PolarHBondContact SG-N 3.4Å
691	L	93.6	Very high	94.6	Very high	8 Å²	8	45 Å²	45	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-48.3	174	178.7	60.6	0	0	0	112.1	F133 V640 I687 L688 W689 Q693 R694	F133-L691 HydrophobicContact CD2-CD2 4.15Å; F133-L691 HydrophobicContact CE2-CD2 3.86Å; V640-L691 HydrophobicContact CG2-CB 3.83Å; V640-L691 HydrophobicContact CG2-CD1 4.06Å; V640-L691 HydrophobicContact CG2-CD2 4.25Å; V640-L691 HydrophobicContact CG2-CG 4.25Å; I687-L691 PolarHBondContact O-N 3.15Å; L688-L691 PolarHBondContact O-N 3.35Å; W689-L691 VanDerWaalsContact C-N 3.28Å; W689-L691 PolarHBondContact O-N 3.35Å; L691-Q693 VanDerWaalsContact C-N 3.32Å; L691-Q693 PolarHBondContact O-N 3.33Å; L691-R694 WeakPolarHBondContact O-CD 3.2Å; L691-R694 PolarHBondContact O-N 3.18Å; L691-R694 PolarHBondContact O-NH1 3.03Å
692	E	92.6	Very high	94.5	Very high	56 Å²	56	46.1 Å²	46.1	26%	0.262	22%	0.221	S	C	.	.	H	α-helix	trans	-62.1	-37	177.9	175.6	76.6	-175.7	0	0	111.9	K132 L136 L688 W689	K132-E692 IonicContact NZ-OE1 2.82Å; K132-E692 PolarHBondContact NZ-OE1 3.17Å; L136-E692 VanDerWaalsContact CD1-OE2 3.29Å; L136-E692 WeakPolarHBondContact CD1-OE2 3.33Å; L688-E692 PolarHBondContact O-N 2.98Å; L688-E692 VanDerWaalsContact O-N 3.11Å; W689-E692 HydrophobicContact CE3-CG 4.5Å; W689-E692 PolarHBondContact O-N 3.47Å
693	Q	91.6	Very high	94.4	Very high	94 Å²	94	47 Å²	47	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-87.2	-9.1	178.4	-61.4	-52.7	-73	0	0	114.6	W689 L691 Q695 I697	W689-Q693 WeakPolarHBondContact O-CB 3.32Å; W689-Q693 WeakPolarHBondContact O-CG 3.42Å; W689-Q693 PolarHBondContact O-N 3.3Å; L691-Q693 VanDerWaalsContact C-N 3.32Å; L691-Q693 PolarHBondContact O-N 3.33Å; Q693-Q695 HydrophobicContact CB-CG 3.99Å; Q693-Q695 PolarHBondContact O-N 3.18Å; Q693-I697 HydrophobicContact CB-CG2 3.96Å; Q693-I697 HydrophobicContact CG-CG2 4Å
694	R	92.7	Very high	94.3	Very high	120 Å²	120	46.5 Å²	46.5	45%	0.453	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	32.5	-174.8	-62.4	-63.9	-159.1	-99.7	8.1	114.2	L644 C690 L691	L644-R694 VanDerWaalsContact CD2-C 3.44Å; L644-R694 WeakPolarHBondContact CD2-O 3.38Å; C690-R694 WeakPolarHBondContact O-CA 3.25Å; C690-R694 PolarHBondContact O-N 2.93Å; L691-R694 WeakPolarHBondContact O-CD 3.2Å; L691-R694 PolarHBondContact O-N 3.18Å; L691-R694 PolarHBondContact O-NH1 3.03Å
695	Q	94.1	Very high	93.9	Very high	114 Å²	114	46.6 Å²	46.6	53%	0.533	23%	0.225	S	C	.	.	S	Bend	trans	-158.4	159.6	178.4	64.9	-170.8	-37	0	0	110.2	C690 Q693 I697	C690-Q695 VanDerWaalsContact CA-O 3.26Å; C690-Q695 WeakPolarHBondContact CA-O 3.48Å; C690-Q695 WeakPolarHBondContact CB-O 3.18Å; C690-Q695 PolarHBondContact O-N 3.07Å; Q693-Q695 HydrophobicContact CB-CG 3.99Å; Q693-Q695 PolarHBondContact O-N 3.18Å; Q695-I697 HydrophobicContact CG-CG2 4.38Å; Q695-I697 PolarHBondContact O-N 2.98Å
696	W	94.7	Very high	93.5	Very high	69 Å²	69	52.5 Å²	52.5	26%	0.261	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-69.3	123.5	169.2	-59.6	115.8	0	0	0	109.9	V640 V641 L644 G645 F647 W686 I687 C690	V640-W696 HydrophobicContact CG1-CH2 3.91Å; V640-W696 HydrophobicContact CG1-CZ3 4.18Å; V641-W696 HydrophobicContact CG2-CH2 3.8Å; V641-W696 HydrophobicContact CG2-CZ2 4.26Å; L644-W696 HydrophobicContact CB-CD2 4.49Å; L644-W696 HydrophobicContact CB-CH2 4.47Å; L644-W696 HydrophobicContact CB-CZ2 3.64Å; L644-W696 HydrophobicContact CD1-CD2 4.04Å; L644-W696 HydrophobicContact CD1-CE3 4.19Å; L644-W696 HydrophobicContact CD1-CH2 4.17Å; L644-W696 HydrophobicContact CD1-CZ2 4.03Å; L644-W696 HydrophobicContact CD1-CZ3 4.26Å; L644-W696 HydrophobicContact CG-CZ2 4.39Å; G645-W696 WeakPolarHBondContact O-CZ2 3.41Å; G645-W696 PolarHBondContact O-NE1 3.31Å; F647-W696 HydrophobicContact CD2-CD2 4.13Å; F647-W696 AromaticContact CD2-CE2 3.58Å; F647-W696 HydrophobicContact CD2-CH2 4.06Å; F647-W696 AromaticContact CD2-CZ2 3.55Å; F647-W696 HydrophobicContact CD2-CZ2 3.55Å; F647-W696 AromaticContact CD2-NE1 3.88Å; F647-W696 AromaticContact CE2-CD2 3.75Å; F647-W696 HydrophobicContact CE2-CD2 3.75Å; F647-W696 AromaticContact CE2-CE2 3.68Å; F647-W696 HydrophobicContact CE2-CE3 4.13Å; F647-W696 HydrophobicContact CE2-CG 4.14Å; F647-W696 HydrophobicContact CE2-CH2 4.43Å; F647-W696 HydrophobicContact CE2-CZ2 4.05Å; F647-W696 HydrophobicContact CE2-CZ3 4.45Å; F647-W696 AromaticContact CE2-NE1 3.95Å; W686-W696 HydrophobicContact CH2-CD2 4.33Å; W686-W696 AromaticContact CH2-CE3 3.38Å; W686-W696 HydrophobicContact CH2-CE3 3.38Å; W686-W696 AromaticContact CH2-CZ3 3.6Å; W686-W696 HydrophobicContact CH2-CZ3 3.6Å; W686-W696 AromaticContact CZ2-CE3 3.69Å; W686-W696 HydrophobicContact CZ2-CE3 3.69Å; W686-W696 HydrophobicContact CZ2-CZ3 4.3Å; W686-W696 AromaticContact CZ3-CE3 3.98Å; W686-W696 HydrophobicContact CZ3-CE3 3.98Å; W686-W696 AromaticContact CZ3-CZ3 3.73Å; W686-W696 HydrophobicContact CZ3-CZ3 3.73Å; I687-W696 HydrophobicContact CD1-CZ3 4.07Å; C690-W696 HydrophobicContact CB-CE3 4.04Å; C690-W696 HydrophobicContact CB-CZ3 4.2Å
697	I	94.7	Very high	93.2	Very high	22 Å²	22	56.2 Å²	56.2	11%	0.113	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-101.6	162	-177.5	73.7	-170	0	0	0	110.7	W686 W689 C690 Q693 Q695 E699 Y702	W686-I697 PolarHBondContact NE1-O 3.07Å; W689-I697 HydrophobicContact CB-CD1 3.27Å; W689-I697 HydrophobicContact CG-CD1 4.38Å; C690-I697 PolarHBondContact SG-N 3.4Å; Q693-I697 HydrophobicContact CB-CG2 3.96Å; Q693-I697 HydrophobicContact CG-CG2 4Å; Q695-I697 HydrophobicContact CG-CG2 4.38Å; Q695-I697 PolarHBondContact O-N 2.98Å; I697-E699 PolarHBondContact O-N 2.92Å; I697-Y702 HydrophobicContact CD1-CD2 4.36Å; I697-Y702 HydrophobicContact CD1-CE2 3.5Å; I697-Y702 VanDerWaalsContact CD1-CE2 3.5Å; I697-Y702 HydrophobicContact CG1-CE2 4.08Å
698	P	94.2	Very high	92.9	Very high	94 Å²	94	56.6 Å²	56.6	61%	0.61	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-51.7	131.8	173.5	-27.8	36.3	0	0	0	112.6	P701	P698-P701 WeakPolarHBondContact O-CD 3.38Å
699	E	95.2	Very high	92.5	Very high	44 Å²	44	59.3 Å²	59.3	21%	0.206	30%	0.295	C	S	.	.	S	Bend	trans	-81.8	-35.7	-167.6	-53.9	94.9	135.4	0	0	112.3	H659 W680 L682 W686 I697 P701 Y702	H659-E699 IonicContact CE1-OE1 3.88Å; H659-E699 IonicContact NE2-OE1 3.22Å; H659-E699 PolarHBondContact NE2-OE1 3.12Å; W680-E699 HydrophobicContact CD2-CB 3.49Å; W680-E699 VanDerWaalsContact CD2-CB 3.49Å; W680-E699 HydrophobicContact CD2-CG 4.02Å; W680-E699 HydrophobicContact CE3-CB 3.59Å; W680-E699 HydrophobicContact CG-CB 4.09Å; W680-E699 HydrophobicContact CG-CG 4.25Å; W680-E699 HydrophobicContact CH2-CB 3.89Å; W680-E699 HydrophobicContact CZ2-CB 3.77Å; W680-E699 HydrophobicContact CZ2-CG 4.18Å; W680-E699 HydrophobicContact CZ3-CB 3.79Å; W680-E699 PolarHBondContact NE1-OE1 3.39Å; L682-E699 HydrophobicContact CD1-CB 3.94Å; L682-E699 HydrophobicContact CD1-CG 4.17Å; L682-E699 HydrophobicContact CD2-CB 4.05Å; W686-E699 HydrophobicContact CZ2-CG 4.01Å; I697-E699 PolarHBondContact O-N 2.92Å; E699-P701 VanDerWaalsContact C-CD 3.41Å; E699-Y702 PolarHBondContact O-N 3.09Å
700	E	92.8	Very high	92.3	Very high	113 Å²	113	56.8 Å²	56.8	53%	0.528	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-49.9	-40.2	-174	-177.1	169.1	-124.7	0	0	116.5	W680 Y702 E703 R715	W680-E700 HydrophobicContact CH2-CB 4.01Å; W680-E700 HydrophobicContact CZ3-CB 4.01Å; E700-Y702 PolarHBondContact O-N 3.38Å; E700-Y702 VanDerWaalsContact O-N 3.09Å; E700-E703 PolarHBondContact O-N 2.88Å; E700-R715 IonicContact OE1-NH2 2.72Å
701	P	93.1	Very high	92.1	Very high	70 Å²	70	56.8 Å²	56.8	46%	0.455	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-66.6	-10	177.6	-19.3	33.4	0	0	0	114.6	P698 E699	P698-P701 WeakPolarHBondContact O-CD 3.38Å; E699-P701 VanDerWaalsContact C-CD 3.41Å
702	Y	94.7	Very high	92	Very high	23 Å²	23	59.7 Å²	59.7	9%	0.09	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-119.8	7.3	-174.4	-52	-80.2	0	0	0	112.5	L682 S683 E685 W686 W689 I697 E699 E700	L682-Y702 WeakPolarHBondContact CA-O 3.39Å; S683-Y702 PolarHBondContact N-O 2.9Å; E685-Y702 HydrophobicContact CB-CD1 3.99Å; E685-Y702 HydrophobicContact CB-CE1 4.34Å; W686-Y702 HydrophobicContact CB-CD2 4.16Å; W686-Y702 HydrophobicContact CB-CG 3.91Å; W686-Y702 AromaticContact CD1-CD2 3.69Å; W686-Y702 HydrophobicContact CG-CD2 4.34Å; W689-Y702 AromaticContact CD1-CE1 3.36Å; W689-Y702 AromaticContact CD1-CZ 3.65Å; W689-Y702 HydrophobicContact CG-CE1 4.12Å; W689-Y702 AromaticContact CG-CZ 3.96Å; W689-Y702 VanDerWaalsContact CG-OH 3.32Å; W689-Y702 AromaticContact NE1-CE1 3.88Å; I697-Y702 HydrophobicContact CD1-CD2 4.36Å; I697-Y702 HydrophobicContact CD1-CE2 3.5Å; I697-Y702 VanDerWaalsContact CD1-CE2 3.5Å; I697-Y702 HydrophobicContact CG1-CE2 4.08Å; E699-Y702 PolarHBondContact O-N 3.09Å; E700-Y702 PolarHBondContact O-N 3.38Å; E700-Y702 VanDerWaalsContact O-N 3.09Å
703	E	94.3	Very high	91.9	Very high	18 Å²	18	61 Å²	61	8%	0.084	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-71.7	132.5	178	-168	168.9	-150.8	0	0	110.9	W680 I681 L682 E700 S705 R715	W680-E703 HydrophobicContact CE3-CG 4.48Å; I681-E703 CarbonylContact O-C 3.5Å; I681-E703 WeakPolarHBondContact O-CA 3.48Å; L682-E703 HydrophobicContact CD2-CB 4.21Å; E700-E703 PolarHBondContact O-N 2.88Å; E703-S705 PolarHBondContact O-N 2.88Å; E703-R715 VanDerWaalsContact CD-NE 3.3Å; E703-R715 VanDerWaalsContact OE1-CD 3.32Å; E703-R715 WeakPolarHBondContact OE1-CD 3.31Å; E703-R715 IonicContact OE1-CZ 2.73Å; E703-R715 IonicContact OE1-NE 2.59Å; E703-R715 PolarHBondContact OE1-NE 3.45Å; E703-R715 IonicContact OE1-NH2 3.62Å; E703-R715 IonicContact OE2-CZ 3.62Å; E703-R715 VanDerWaalsContact OE2-CZ 3.32Å; E703-R715 IonicContact OE2-NE 3.87Å; E703-R715 PolarHBondContact OE2-NE 3.14Å; E703-R715 VanDerWaalsContact OE2-NE 3.09Å; E703-R715 IonicContact OE2-NH2 3.06Å; E703-R715 PolarHBondContact OE2-NH2 2.98Å
704	L	92.2	Very high	91.9	Very high	11 Å²	11	56.5 Å²	56.5	6%	0.058	29%	0.286	C	S	.	.			trans	-80	39.9	-173.8	-63	-178.9	0	0	0	113.3	I681 D706 Q707 F708	I681-L704 HydrophobicContact CG2-CB 4.26Å; I681-L704 HydrophobicContact CG2-CD1 4.28Å; I681-L704 PolarHBondContact O-N 3.42Å; L704-D706 VanDerWaalsContact C-N 3.27Å; L704-D706 PolarHBondContact O-N 3.26Å; L704-Q707 PolarHBondContact O-N 3.16Å; L704-Q707 VanDerWaalsContact O-N 3.15Å; L704-F708 HydrophobicContact CB-CD2 3.98Å; L704-F708 HydrophobicContact CD1-CE2 4.39Å; L704-F708 PolarHBondContact O-N 3.19Å
705	S	88.4	Confident	91.8	Very high	24 Å²	24	51.8 Å²	51.8	17%	0.168	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-31.7	-173.2	-51.9	0	0	0	0	113.6	E703 Q707 F708 P709	E703-S705 PolarHBondContact O-N 2.88Å; S705-Q707 VanDerWaalsContact C-N 3.31Å; S705-Q707 PolarHBondContact O-N 3.01Å; S705-F708 CarbonylContact O-C 3.59Å; S705-P709 VanDerWaalsContact O-CA 3.31Å; S705-P709 WeakPolarHBondContact O-CA 3.36Å
706	D	87	Confident	91.6	Very high	153 Å²	153	50 Å²	50	82%	0.818	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.3	178.5	-78.8	-12.7	0	0	0	112.9	L704	L704-D706 VanDerWaalsContact C-N 3.27Å; L704-D706 PolarHBondContact O-N 3.26Å
707	Q	89.4	Confident	91.3	Very high	80 Å²	80	50.6 Å²	50.6	37%	0.374	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-26.3	179.2	-57.4	83.6	35	0	0	112.5	H665 L704 S705	H665-Q707 HydrophobicContact CB-CB 4.4Å; H665-Q707 HydrophobicContact CB-CG 4Å; H665-Q707 PolarHBondContact CD2-OE1 2.98Å; L704-Q707 PolarHBondContact O-N 3.16Å; L704-Q707 VanDerWaalsContact O-N 3.15Å; S705-Q707 VanDerWaalsContact C-N 3.31Å; S705-Q707 PolarHBondContact O-N 3.01Å
708	F	90.1	Very high	91	Very high	7 Å²	7	53.3 Å²	53.3	3%	0.031	28%	0.276	C	S	.	.			trans	-130.3	73.8	178.6	-53.3	-64.3	0	0	0	111.1	R667 I671 I675 I681 L704 S705 A710 A711 T795	R667-F708 HydrophobicContact CB-CE1 4.22Å; I671-F708 HydrophobicContact CD1-CE2 4.45Å; I671-F708 HydrophobicContact CG2-CD1 3.93Å; I671-F708 HydrophobicContact CG2-CD2 4.05Å; I671-F708 HydrophobicContact CG2-CE1 3.91Å; I671-F708 HydrophobicContact CG2-CE2 4.02Å; I671-F708 HydrophobicContact CG2-CG 4.01Å; I671-F708 HydrophobicContact CG2-CZ 3.96Å; I675-F708 HydrophobicContact CD1-CB 4.11Å; I675-F708 HydrophobicContact CD1-CD1 4.47Å; I675-F708 HydrophobicContact CD1-CG 4.46Å; I681-F708 HydrophobicContact CG2-CD2 4.17Å; L704-F708 HydrophobicContact CB-CD2 3.98Å; L704-F708 HydrophobicContact CD1-CE2 4.39Å; L704-F708 PolarHBondContact O-N 3.19Å; S705-F708 CarbonylContact O-C 3.59Å; F708-A710 PolarHBondContact O-N 3.29Å; F708-A710 VanDerWaalsContact O-N 3.08Å; F708-A711 HydrophobicContact CB-CB 4.2Å; F708-A711 VanDerWaalsContact O-CB 3.25Å; F708-A711 WeakPolarHBondContact O-CB 3.4Å; F708-A711 PolarHBondContact O-N 3.16Å; F708-T795 HydrophobicContact CD1-CG2 4.48Å
709	P	86.9	Confident	90.5	Very high	72 Å²	72	56.1 Å²	56.1	47%	0.468	28%	0.281	S	S	.	.	H	α-helix	trans	-58.1	-28	-175.6	-26.6	35.8	0	0	0	114.3	S705 A711	S705-P709 VanDerWaalsContact O-CA 3.31Å; S705-P709 WeakPolarHBondContact O-CA 3.36Å; P709-A711 VanDerWaalsContact C-N 3.3Å; P709-A711 PolarHBondContact O-N 3.47Å
710	A	90.4	Very high	89.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-34.5	173.2	0	0	0	0	0	113.1	I675 F708 Q712 I713 C714 I794 T795 L797	I675-A710 HydrophobicContact CG2-CB 3.65Å; F708-A710 PolarHBondContact O-N 3.29Å; F708-A710 VanDerWaalsContact O-N 3.08Å; A710-Q712 PolarHBondContact O-N 2.92Å; A710-I713 PolarHBondContact O-N 3.3Å; A710-C714 WeakPolarHBondContact O-CB 3.29Å; A710-C714 PolarHBondContact O-N 3.49Å; A710-C714 PolarHBondContact O-SG 2.65Å; A710-I794 VanDerWaalsContact CB-O 3.31Å; A710-I794 WeakPolarHBondContact CB-O 3.26Å; A710-T795 WeakPolarHBondContact CB-O 3.47Å; A710-L797 HydrophobicContact CB-CB 3.89Å
711	A	91.6	Very high	89.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-55.3	-52.6	-174.1	0	0	0	0	0	112.4	I675 I681 F708 P709 I713 C714 R715	I675-A711 HydrophobicContact CG1-CB 4.08Å; I681-A711 HydrophobicContact CB-CB 3.93Å; I681-A711 HydrophobicContact CG1-CB 3.6Å; F708-A711 HydrophobicContact CB-CB 4.2Å; F708-A711 VanDerWaalsContact O-CB 3.25Å; F708-A711 WeakPolarHBondContact O-CB 3.4Å; F708-A711 PolarHBondContact O-N 3.16Å; P709-A711 VanDerWaalsContact C-N 3.3Å; P709-A711 PolarHBondContact O-N 3.47Å; A711-I713 VanDerWaalsContact C-N 3.34Å; A711-I713 PolarHBondContact O-N 3.25Å; A711-C714 PolarHBondContact O-N 3.11Å; A711-R715 VanDerWaalsContact O-CB 3.28Å; A711-R715 WeakPolarHBondContact O-CB 3.33Å; A711-R715 PolarHBondContact O-N 2.98Å
712	Q	91.3	Very high	87.9	Confident	69 Å²	69	60.1 Å²	60.1	32%	0.322	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-38.8	-179.5	-169.5	177.4	26.7	0	0	112.1	A710 L716	A710-Q712 PolarHBondContact O-N 2.92Å; Q712-L716 HydrophobicContact CG-CD1 4.2Å; Q712-L716 WeakPolarHBondContact O-CB 3.2Å; Q712-L716 VanDerWaalsContact O-CG 3.23Å; Q712-L716 WeakPolarHBondContact O-CG 3.24Å; Q712-L716 PolarHBondContact O-N 3.33Å
713	I	89.9	Confident	86.7	Confident	83 Å²	83	61.8 Å²	61.8	43%	0.426	35%	0.347	S	S	.	.	H	α-helix	trans	-68.2	-49.1	179.7	-55.8	169.3	0	0	0	110.1	A710 A711 R715 L716 Q717 L797	A710-I713 PolarHBondContact O-N 3.3Å; A711-I713 VanDerWaalsContact C-N 3.34Å; A711-I713 PolarHBondContact O-N 3.25Å; I713-R715 VanDerWaalsContact C-N 3.33Å; I713-R715 PolarHBondContact O-N 2.97Å; I713-L716 PolarHBondContact O-N 2.93Å; I713-Q717 WeakPolarHBondContact O-CG 3.33Å; I713-Q717 PolarHBondContact O-N 2.9Å; I713-L797 HydrophobicContact CB-CD2 3.77Å; I713-L797 HydrophobicContact CD1-CD2 4.29Å; I713-L797 HydrophobicContact CG2-CD2 3.49Å; I713-L797 VanDerWaalsContact CG2-CD2 3.49Å
714	C	91.4	Very high	85.6	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-61.9	-39.2	178.6	-65	0	0	0	0	112.3	I675 A710 A711 Q717 R718 H725 Q727	I675-C714 HydrophobicContact CG2-CB 4.45Å; I675-C714 WeakPolarHBondContact O-CB 3.43Å; A710-C714 WeakPolarHBondContact O-CB 3.29Å; A710-C714 PolarHBondContact O-N 3.49Å; A710-C714 PolarHBondContact O-SG 2.65Å; A711-C714 PolarHBondContact O-N 3.11Å; C714-Q717 WeakPolarHBondContact O-CB 3.45Å; C714-Q717 PolarHBondContact O-N 2.84Å; C714-R718 PolarHBondContact O-N 3.29Å; C714-H725 PolarHBondContact O-CE1 3.29Å; C714-Q727 VanDerWaalsContact CB-NE2 3.27Å; C714-Q727 PolarHBondContact SG-NE2 3.28Å
715	R	92.4	Very high	84.9	Confident	22 Å²	22	68 Å²	68	8%	0.083	38%	0.375	C	S	.	.	H	α-helix	trans	-63.9	-45.2	173.3	178.6	-171.7	60.4	87.4	-18.5	112.2	G678 W680 E700 E703 A711 I713 Q717 R718 H719	G678-R715 WeakPolarHBondContact O-CA 3.21Å; W680-R715 VanDerWaalsContact CH2-CZ 3.4Å; E700-R715 IonicContact OE1-NH2 2.72Å; E703-R715 VanDerWaalsContact CD-NE 3.3Å; E703-R715 VanDerWaalsContact OE1-CD 3.32Å; E703-R715 WeakPolarHBondContact OE1-CD 3.31Å; E703-R715 IonicContact OE1-CZ 2.73Å; E703-R715 IonicContact OE1-NE 2.59Å; E703-R715 PolarHBondContact OE1-NE 3.45Å; E703-R715 IonicContact OE1-NH2 3.62Å; E703-R715 IonicContact OE2-CZ 3.62Å; E703-R715 VanDerWaalsContact OE2-CZ 3.32Å; E703-R715 IonicContact OE2-NE 3.87Å; E703-R715 PolarHBondContact OE2-NE 3.14Å; E703-R715 VanDerWaalsContact OE2-NE 3.09Å; E703-R715 IonicContact OE2-NH2 3.06Å; E703-R715 PolarHBondContact OE2-NH2 2.98Å; A711-R715 VanDerWaalsContact O-CB 3.28Å; A711-R715 WeakPolarHBondContact O-CB 3.33Å; A711-R715 PolarHBondContact O-N 2.98Å; I713-R715 VanDerWaalsContact C-N 3.33Å; I713-R715 PolarHBondContact O-N 2.97Å; R715-Q717 VanDerWaalsContact C-N 3.3Å; R715-Q717 PolarHBondContact O-N 3.28Å; R715-R718 PolarHBondContact O-N 3.41Å; R715-H719 PolarHBondContact O-N 2.6Å
716	L	89.1	Confident	84.4	Confident	76 Å²	76	72.7 Å²	72.7	40%	0.398	40%	0.395	S	S	.	.	H	α-helix	trans	-64.2	-37.5	177.7	-73.6	169.6	0	0	0	111.2	Q712 I713 H719 L720	Q712-L716 HydrophobicContact CG-CD1 4.2Å; Q712-L716 WeakPolarHBondContact O-CB 3.2Å; Q712-L716 VanDerWaalsContact O-CG 3.23Å; Q712-L716 WeakPolarHBondContact O-CG 3.24Å; Q712-L716 PolarHBondContact O-N 3.33Å; I713-L716 PolarHBondContact O-N 2.93Å; L716-H719 PolarHBondContact O-N 3.12Å; L716-L720 WeakPolarHBondContact O-CG 3.47Å; L716-L720 PolarHBondContact O-N 3.04Å; L716-L720 VanDerWaalsContact O-N 3.09Å
717	Q	88	Confident	84.2	Confident	82 Å²	82	65.6 Å²	65.6	38%	0.383	36%	0.357	S	S	.	.	H	α-helix	trans	-59.1	-47.9	169.8	-71.3	170	-13.8	0	0	111.6	I713 C714 R715 H719 L720 S721 H725	I713-Q717 WeakPolarHBondContact O-CG 3.33Å; I713-Q717 PolarHBondContact O-N 2.9Å; C714-Q717 WeakPolarHBondContact O-CB 3.45Å; C714-Q717 PolarHBondContact O-N 2.84Å; R715-Q717 VanDerWaalsContact C-N 3.3Å; R715-Q717 PolarHBondContact O-N 3.28Å; Q717-H719 PolarHBondContact O-N 3.33Å; Q717-L720 PolarHBondContact O-N 2.66Å; Q717-L720 VanDerWaalsContact O-N 3.1Å; Q717-S721 PolarHBondContact O-N 3.05Å; Q717-S721 PolarHBondContact O-OG 3.25Å; Q717-H725 WeakPolarHBondContact CB-CE1 3.35Å; Q717-H725 PolarHBondContact OE1-CE1 2.74Å
718	R	89.4	Confident	84.3	Confident	79 Å²	79	66.6 Å²	66.6	30%	0.298	37%	0.365	S	S	.	.	H	α-helix	trans	-62.4	-27.1	176.1	-176.8	159.6	-172	-165.5	4.3	114.1	E655 T657 R677 C714 R715 S721 H725	E655-R718 PolarHBondContact O-NH2 3.04Å; T657-R718 PolarHBondContact O-NH1 2.68Å; T657-R718 VanDerWaalsContact O-NH1 3.12Å; R677-R718 WeakPolarHBondContact O-CD 3.23Å; R677-R718 PolarHBondContact O-NH1 2.8Å; C714-R718 PolarHBondContact O-N 3.29Å; R715-R718 PolarHBondContact O-N 3.41Å; R718-S721 WeakPolarHBondContact CA-OG 3.15Å; R718-S721 PolarHBondContact O-OG 2.97Å; R718-S721 VanDerWaalsContact O-OG 3.07Å; R718-H725 WeakPolarHBondContact CA-ND1 3.21Å; R718-H725 HydrophobicContact CB-CB 3.72Å; R718-H725 VanDerWaalsContact CB-CG 3.49Å; R718-H725 HydrophobicContact CG-CB 3.58Å; R718-H725 PolarHBondContact N-ND1 2.74Å
719	H	83.3	Confident	84.4	Confident	153 Å²	153	67.3 Å²	67.3	71%	0.708	37%	0.369	S	S	*	.	H	α-helix	trans	-80.1	-27.3	176.2	-166.6	74.4	0	0	0	112.9	R715 L716 Q717	R715-H719 PolarHBondContact O-N 2.6Å; L716-H719 PolarHBondContact O-N 3.12Å; Q717-H719 PolarHBondContact O-N 3.33Å
720	L	82.9	Confident	84.7	Confident	148 Å²	148	63.9 Å²	63.9	78%	0.775	35%	0.346	S	S	*	.	H	α-helix	trans	-92.8	-19.8	179.5	-66.1	172	0	0	0	113.2	L716 Q717 A722	L716-L720 WeakPolarHBondContact O-CG 3.47Å; L716-L720 PolarHBondContact O-N 3.04Å; L716-L720 VanDerWaalsContact O-N 3.09Å; Q717-L720 PolarHBondContact O-N 2.66Å; Q717-L720 VanDerWaalsContact O-N 3.1Å; L720-A722 PolarHBondContact O-N 3Å
721	S	81	Confident	84.8	Confident	43 Å²	43	69.4 Å²	69.4	30%	0.301	37%	0.372	S	S	.	.			trans	-68.9	121.5	174.9	57.5	0	0	0	0	111.5	Q717 R718 G723	Q717-S721 PolarHBondContact O-N 3.05Å; Q717-S721 PolarHBondContact O-OG 3.25Å; R718-S721 WeakPolarHBondContact CA-OG 3.15Å; R718-S721 PolarHBondContact O-OG 2.97Å; R718-S721 VanDerWaalsContact O-OG 3.07Å; S721-G723 PolarHBondContact O-N 2.94Å
722	A	63.3	Low	84.8	Confident	119 Å²	119	76.3 Å²	76.3	98%	0.983	41%	0.409	S	S	*	.	S	Bend	trans	-75.3	4.1	178.3	0	0	0	0	0	114.6	L720	L720-A722 PolarHBondContact O-N 3Å
723	G	69.3	Low	84.8	Confident	59 Å²	59	74.2 Å²	74.2	61%	0.608	40%	0.399	S	S	*	.	S	Bend	trans	-143.8	-152.1	-178.8	0	0	0	0	0	111.3	S721	S721-G723 PolarHBondContact O-N 2.94Å
724	E	70.7	Confident	85	Confident	139 Å²	139	72.9 Å²	72.9	65%	0.65	40%	0.396	S	S	*	.			trans	-65.7	135.5	172.8	-165.1	178.8	169.8	0	0	110.6	Q726	E724-Q726 PolarHBondContact O-N 2.94Å
725	H	77.6	Confident	85.1	Confident	19 Å²	19	75 Å²	75	9%	0.088	41%	0.41	C	S	.	.			trans	-84.9	112	-179.7	169	78.2	0	0	0	110.3	A676 C714 Q717 R718 Q727	A676-H725 PolarHBondContact O-NE2 2.91Å; C714-H725 PolarHBondContact O-CE1 3.29Å; Q717-H725 WeakPolarHBondContact CB-CE1 3.35Å; Q717-H725 PolarHBondContact OE1-CE1 2.74Å; R718-H725 WeakPolarHBondContact CA-ND1 3.21Å; R718-H725 HydrophobicContact CB-CB 3.72Å; R718-H725 VanDerWaalsContact CB-CG 3.49Å; R718-H725 HydrophobicContact CG-CB 3.58Å; R718-H725 PolarHBondContact N-ND1 2.74Å; H725-Q727 VanDerWaalsContact CE1-CG 3.44Å; H725-Q727 WeakPolarHBondContact CE1-CG 3.5Å; H725-Q727 WeakPolarHBondContact NE2-CG 3.46Å; H725-Q727 PolarHBondContact NE2-NE2 3.34Å
726	Q	76.6	Confident	85.3	Confident	124 Å²	124	74 Å²	74	58%	0.579	41%	0.406	S	S	*	.			trans	-116.1	151.3	166.7	-64.9	-175	-13.4	0	0	109.2	E724	E724-Q726 PolarHBondContact O-N 2.94Å
727	Q	84.8	Confident	85.6	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.019	39%	0.392	C	S	.	.			trans	-104	151.1	174.8	-72.9	165.5	13.4	0	0	109.9	I675 A676 C714 H725 L755 C756 G757	I675-Q727 PolarHBondContact O-NE2 3.32Å; A676-Q727 PolarHBondContact O-NE2 3.06Å; A676-Q727 VanDerWaalsContact O-NE2 3.09Å; C714-Q727 VanDerWaalsContact CB-NE2 3.27Å; C714-Q727 PolarHBondContact SG-NE2 3.28Å; H725-Q727 VanDerWaalsContact CE1-CG 3.44Å; H725-Q727 WeakPolarHBondContact CE1-CG 3.5Å; H725-Q727 WeakPolarHBondContact NE2-CG 3.46Å; H725-Q727 PolarHBondContact NE2-NE2 3.34Å; Q727-L755 PolarHBondContact N-O 3.02Å; Q727-L755 VanDerWaalsContact N-O 3.13Å; Q727-C756 CarbonylContact O-C 3.48Å; Q727-C756 VanDerWaalsContact O-O 3.11Å; Q727-C756 PolarHBondContact OE1-SG 3.19Å; Q727-G757 WeakPolarHBondContact O-CA 3.33Å; Q727-G757 PolarHBondContact O-N 2.95Å
728	N	89.5	Confident	85.9	Confident	100 Å²	100	67.9 Å²	67.9	54%	0.535	38%	0.375	S	S	.	.			trans	-108.1	20.9	-177.8	-62.3	14.1	0	0	0	112	F730 Q731 C756	N728-F730 PolarHBondContact O-N 3.09Å; N728-Q731 HydrophobicContact CB-CB 4Å; N728-Q731 VanDerWaalsContact CG-OE1 3.28Å; N728-Q731 PolarHBondContact ND2-OE1 3.37Å; N728-Q731 WeakPolarHBondContact O-CB 3.33Å; N728-Q731 PolarHBondContact O-N 2.77Å; N728-Q731 VanDerWaalsContact O-N 3.14Å; N728-C756 CarbonylContact C-O 3.56Å
729	L	92.1	Very high	86	Confident	22 Å²	22	64.5 Å²	64.5	12%	0.115	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-32.7	-172.2	177.1	64.8	0	0	0	113.1	C756 I794 L797 I799	L729-C756 HydrophobicContact CB-CB 4.2Å; L729-C756 PolarHBondContact N-O 3.48Å; L729-C756 VanDerWaalsContact N-O 3.09Å; L729-I794 HydrophobicContact CD2-CB 4.49Å; L729-I794 HydrophobicContact CD2-CG1 3.93Å; L729-L797 HydrophobicContact CD2-CD1 4.42Å; L729-I799 HydrophobicContact CD1-CG1 4.21Å; L729-I799 VanDerWaalsContact O-CD1 3.31Å; L729-I799 WeakPolarHBondContact O-CD1 3.39Å; L729-I799 WeakPolarHBondContact O-CG1 3.34Å
730	F	94.2	Very high	86.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	16.7	178	-56.5	-52.7	0	0	0	113.1	N728 D732 Q733 C756 G758 W789 I790 I794	N728-F730 PolarHBondContact O-N 3.09Å; F730-D732 VanDerWaalsContact C-N 3.34Å; F730-D732 PolarHBondContact O-N 3.38Å; F730-Q733 HydrophobicContact CB-CB 4.35Å; F730-Q733 HydrophobicContact CB-CG 4.01Å; F730-Q733 HydrophobicContact CD1-CG 4.14Å; F730-Q733 WeakPolarHBondContact O-CB 3.16Å; F730-Q733 PolarHBondContact O-N 3.29Å; F730-Q733 VanDerWaalsContact O-N 3.12Å; F730-C756 HydrophobicContact CD2-CB 3.45Å; F730-C756 VanDerWaalsContact CD2-CB 3.45Å; F730-C756 HydrophobicContact CE2-CB 3.73Å; F730-C756 HydrophobicContact CG-CB 4.44Å; F730-C756 PolarHBondContact N-O 2.86Å; F730-G758 WeakPolarHBondContact O-CA 3.44Å; F730-W789 HydrophobicContact CD1-CH2 4.06Å; F730-W789 AromaticContact CE1-CH2 3.93Å; F730-W789 HydrophobicContact CE1-CH2 3.93Å; F730-W789 HydrophobicContact CE1-CZ2 4.45Å; F730-W789 HydrophobicContact CE1-CZ3 4.15Å; F730-I790 HydrophobicContact CE2-CG2 4.13Å; F730-I790 HydrophobicContact CZ-CG2 4.16Å; F730-I794 HydrophobicContact CE2-CD1 4.17Å; F730-I794 HydrophobicContact CE2-CG1 4.03Å; F730-I794 HydrophobicContact CZ-CG1 4.09Å
731	Q	92.1	Very high	86.4	Confident	117 Å²	117	69.1 Å²	69.1	55%	0.547	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-40.3	-176.6	-174	173.6	24.8	0	0	112.7	N728 Q733 G757	N728-Q731 HydrophobicContact CB-CB 4Å; N728-Q731 VanDerWaalsContact CG-OE1 3.28Å; N728-Q731 PolarHBondContact ND2-OE1 3.37Å; N728-Q731 WeakPolarHBondContact O-CB 3.33Å; N728-Q731 PolarHBondContact O-N 2.77Å; N728-Q731 VanDerWaalsContact O-N 3.14Å; Q731-Q733 PolarHBondContact O-N 2.94Å; Q731-G757 WeakPolarHBondContact CA-O 3.42Å
732	D	91.3	Very high	86.8	Confident	145 Å²	145	67.4 Å²	67.4	78%	0.775	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	19.4	177.9	-59.5	-45.5	0	0	0	113.1	F730	F730-D732 VanDerWaalsContact C-N 3.34Å; F730-D732 PolarHBondContact O-N 3.38Å
733	Q	92.9	Very high	87.9	Confident	25 Å²	25	66.2 Å²	66.2	12%	0.117	34%	0.335	C	S	.	.	S	Bend	trans	-101.3	142.4	-179.6	-58.4	-65.5	-99.5	0	0	111.6	F730 Q731 W789 I799 Y802	F730-Q733 HydrophobicContact CB-CB 4.35Å; F730-Q733 HydrophobicContact CB-CG 4.01Å; F730-Q733 HydrophobicContact CD1-CG 4.14Å; F730-Q733 WeakPolarHBondContact O-CB 3.16Å; F730-Q733 PolarHBondContact O-N 3.29Å; F730-Q733 VanDerWaalsContact O-N 3.12Å; Q731-Q733 PolarHBondContact O-N 2.94Å; Q733-W789 HydrophobicContact CG-CH2 4.49Å; Q733-I799 HydrophobicContact CG-CD1 4.33Å; Q733-Y802 PolarHBondContact OE1-OH 2.83Å
734	P	93.4	Very high	88.9	Confident	54 Å²	54	64 Å²	64	35%	0.351	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-65.6	157.4	174.2	32.2	-37.4	0	0	0	110	I736 I769	P734-I736 WeakPolarHBondContact O-CG1 3.17Å; P734-I736 PolarHBondContact O-N 3.1Å; P734-I769 HydrophobicContact CG-CD1 3.85Å; P734-I769 HydrophobicContact CG-CG1 3.96Å
735	P	94.3	Very high	89.9	Confident	45 Å²	45	60.9 Å²	60.9	29%	0.292	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-57.4	138	-172.1	-24.1	32.7	0	0	0	113.1	T759 C761 A767 G768 I769	P735-T759 WeakPolarHBondContact CA-O 3.43Å; P735-T759 WeakPolarHBondContact CA-OG1 3.27Å; P735-C761 HydrophobicContact CB-CB 4.45Å; P735-C761 WeakPolarHBondContact CB-SG 3.47Å; P735-A767 CarbonylContact O-C 3.57Å; P735-A767 WeakPolarHBondContact O-CA 3.46Å; P735-A767 WeakPolarHBondContact O-CB 3.35Å; P735-G768 PolarHBondContact O-N 2.9Å; P735-I769 PolarHBondContact O-N 3.24Å
736	I	95.4	Very high	90.6	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.1	-167	-51.9	-176.9	0	0	0	109.5	P734 I753 T759 A760 C761 I769 I771 W789	P734-I736 WeakPolarHBondContact O-CG1 3.17Å; P734-I736 PolarHBondContact O-N 3.1Å; I736-I753 HydrophobicContact CB-CD1 4.19Å; I736-I753 HydrophobicContact CD1-CG1 4.47Å; I736-I753 HydrophobicContact CD1-CG2 4.08Å; I736-I753 HydrophobicContact CG2-CD1 3.77Å; I736-T759 PolarHBondContact N-O 3.41Å; I736-A760 CarbonylContact O-C 3.59Å; I736-A760 WeakPolarHBondContact O-CA 3.45Å; I736-C761 PolarHBondContact O-N 3.35Å; I736-I769 WeakPolarHBondContact CA-O 3.43Å; I736-I769 HydrophobicContact CG1-CB 4.45Å; I736-I769 HydrophobicContact CG2-CG2 4.29Å; I736-I771 HydrophobicContact CG2-CD1 4.13Å; I736-I771 HydrophobicContact CG2-CG1 3.37Å; I736-W789 HydrophobicContact CD1-CZ3 4.26Å
737	F	94.7	Very high	91.4	Very high	23 Å²	23	63.8 Å²	63.8	10%	0.101	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.4	169.5	172	-91.1	0	0	0	110.1	C761 V764 A767 I769 C770 I771 Y774	F737-C761 WeakPolarHBondContact CD2-O 3.37Å; F737-V764 HydrophobicContact CD1-CG2 3.51Å; F737-V764 HydrophobicContact CD2-CG2 3.87Å; F737-V764 HydrophobicContact CE1-CG2 3.45Å; F737-V764 VanDerWaalsContact CE1-CG2 3.45Å; F737-V764 HydrophobicContact CE2-CG2 3.82Å; F737-V764 HydrophobicContact CG-CG2 3.72Å; F737-V764 HydrophobicContact CZ-CG2 3.61Å; F737-A767 HydrophobicContact CB-CB 3.48Å; F737-A767 VanDerWaalsContact CB-CB 3.48Å; F737-I769 PolarHBondContact N-O 3.09Å; F737-C770 CarbonylContact O-C 3.49Å; F737-C770 WeakPolarHBondContact O-CA 3.23Å; F737-I771 PolarHBondContact O-N 3.36Å; F737-Y774 HydrophobicContact CE1-CD2 4.24Å
738	V	94.8	Very high	91.9	Very high	6 Å²	6	63.9 Å²	63.9	4%	0.036	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.6	174.7	-171.7	0	0	0	0	110.1	T746 L749 V750 I753 I771	V738-T746 HydrophobicContact CB-CG2 3.86Å; V738-T746 HydrophobicContact CG1-CG2 3.85Å; V738-L749 HydrophobicContact CG1-CB 3.94Å; V738-L749 HydrophobicContact CG1-CD1 3.67Å; V738-L749 HydrophobicContact CG1-CG 4.46Å; V738-L749 HydrophobicContact CG2-CB 4.24Å; V738-V750 HydrophobicContact CB-CG2 4.4Å; V738-V750 HydrophobicContact CG2-CG2 4.07Å; V738-I753 HydrophobicContact CG2-CD1 3.57Å; V738-I771 HydrophobicContact CG1-CB 4.48Å; V738-I771 HydrophobicContact CG1-CG2 4.49Å; V738-I771 HydrophobicContact CG2-CB 4.35Å
739	S	92	Very high	92.1	Very high	8 Å²	8	59.1 Å²	59.1	6%	0.056	29%	0.293	C	S	.	.			trans	-64.3	135.1	178.5	-175.3	0	0	0	0	111.5	R741 S742 T746 I771 K773	S739-R741 PolarHBondContact O-N 3.24Å; S739-S742 VanDerWaalsContact O-CB 3.26Å; S739-S742 WeakPolarHBondContact O-CB 3.45Å; S739-S742 PolarHBondContact O-N 3.38Å; S739-S742 PolarHBondContact O-OG 3.24Å; S739-T746 PolarHBondContact O-OG1 2.98Å; S739-I771 VanDerWaalsContact CB-O 3.26Å; S739-I771 WeakPolarHBondContact CB-O 3.33Å; S739-I771 PolarHBondContact N-O 3.37Å; S739-K773 WeakPolarHBondContact CB-O 3.18Å; S739-K773 PolarHBondContact OG-O 3.21Å
740	Q	88.8	Confident	92.3	Very high	175 Å²	175	59.9 Å²	59.9	82%	0.818	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-14.5	179.2	-67.3	-179.4	-5.6	0	0	114.4	T746	Q740-T746 WeakPolarHBondContact CA-OG1 3.33Å
741	R	86.5	Confident	92.3	Very high	223 Å²	223	62 Å²	62	84%	0.842	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	13.4	178.9	-60.9	-176.2	179.3	-175.8	-0.6	113	S739	S739-R741 PolarHBondContact O-N 3.24Å
742	S	88.4	Confident	92.5	Very high	8 Å²	8	56.5 Å²	56.5	6%	0.056	28%	0.282	C	S	.	.			trans	-63.8	151.5	-178.7	70.2	0	0	0	0	112.7	S739 P744 T746 E787	S739-S742 VanDerWaalsContact O-CB 3.26Å; S739-S742 WeakPolarHBondContact O-CB 3.45Å; S739-S742 PolarHBondContact O-N 3.38Å; S739-S742 PolarHBondContact O-OG 3.24Å; S742-P744 CarbonylContact C-O 3.48Å; S742-P744 VanDerWaalsContact C-O 3.29Å; S742-P744 PolarHBondContact OG-O 2.78Å; S742-T746 WeakPolarHBondContact OG-CA 3.16Å; S742-T746 PolarHBondContact OG-N 2.8Å; S742-T746 VanDerWaalsContact OG-N 3.16Å; S742-E787 WeakPolarHBondContact CA-OE1 3.36Å
743	Q	87.1	Confident	92.7	Very high	94 Å²	94	49.6 Å²	49.6	44%	0.439	25%	0.246	S	C	.	.	S	Bend	trans	-126.8	116.8	163.5	-59.9	-158.7	26.1	0	0	109.5	Y432 E787	Y432-Q743 HydrophobicContact CD1-CB 4.44Å; Y432-Q743 HydrophobicContact CE1-CB 4.06Å; Y432-Q743 HydrophobicContact CE1-CG 4.44Å; Y432-Q743 VanDerWaalsContact CE1-OE1 3.26Å; Y432-Q743 VanDerWaalsContact CZ-OE1 3.3Å; Q743-E787 PolarHBondContact N-OE1 2.95Å; Q743-E787 WeakPolarHBondContact O-CB 3.4Å; Q743-E787 WeakPolarHBondContact O-CG 3.45Å
744	P	89.1	Confident	92.7	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.071	26%	0.264	C	S	.	.	S	Bend	cis	-72.7	170.9	9.6	29.8	-33	0	0	0	114.1	F433 S742 L749 L791	F433-P744 HydrophobicContact CZ-CB 4.11Å; F433-P744 HydrophobicContact CZ-CG 4.24Å; S742-P744 CarbonylContact C-O 3.48Å; S742-P744 VanDerWaalsContact C-O 3.29Å; S742-P744 PolarHBondContact OG-O 2.78Å; P744-L749 HydrophobicContact CG-CD1 4.47Å; P744-L749 HydrophobicContact CG-CD2 3.75Å; P744-L749 HydrophobicContact CG-CG 3.95Å; P744-L749 WeakPolarHBondContact O-CD1 3.44Å; P744-L791 HydrophobicContact CG-CD1 4.49Å; P744-L791 HydrophobicContact CG-CD2 4.02Å
745	P	92.9	Very high	92.7	Very high	75 Å²	75	52.3 Å²	52.3	49%	0.487	25%	0.254	S	S	.	.			trans	-59	137.6	-171.6	-27.2	35.9	0	0	0	114.4	Q747 S748 L749	P745-Q747 VanDerWaalsContact C-N 3.28Å; P745-Q747 PolarHBondContact O-N 2.79Å; P745-S748 PolarHBondContact O-N 2.72Å; P745-L749 PolarHBondContact O-N 2.97Å
746	T	92.7	Very high	92.7	Very high	36 Å²	36	50.1 Å²	50.1	22%	0.221	24%	0.24	C	C	.	.	H	α-helix	trans	-38.2	-50.1	-177.2	-38.2	0	0	0	0	114.7	V738 S739 Q740 S742 S748 L749 V750	V738-T746 HydrophobicContact CB-CG2 3.86Å; V738-T746 HydrophobicContact CG1-CG2 3.85Å; S739-T746 PolarHBondContact O-OG1 2.98Å; Q740-T746 WeakPolarHBondContact CA-OG1 3.33Å; S742-T746 WeakPolarHBondContact OG-CA 3.16Å; S742-T746 PolarHBondContact OG-N 2.8Å; S742-T746 VanDerWaalsContact OG-N 3.16Å; T746-S748 VanDerWaalsContact C-N 3.33Å; T746-S748 PolarHBondContact O-N 2.82Å; T746-L749 PolarHBondContact O-N 3.38Å; T746-V750 WeakPolarHBondContact O-CG2 3.49Å; T746-V750 PolarHBondContact O-N 3.05Å
747	Q	93.2	Very high	92.5	Very high	168 Å²	168	51.3 Å²	51.3	79%	0.785	25%	0.253	S	S	*	.	H	α-helix	trans	-58.5	-42.2	-178	-70.5	173.6	-22.1	0	0	112.6	P745 V750 E751	P745-Q747 VanDerWaalsContact C-N 3.28Å; P745-Q747 PolarHBondContact O-N 2.79Å; Q747-V750 PolarHBondContact O-N 2.81Å; Q747-E751 WeakPolarHBondContact O-CB 3.38Å; Q747-E751 PolarHBondContact O-N 2.6Å
748	S	94.3	Very high	92.5	Very high	5 Å²	5	50.5 Å²	50.5	4%	0.035	25%	0.251	C	S	.	.	H	α-helix	trans	-83.9	-17	-178.5	-62	0	0	0	0	113.1	R652 P745 T746 L752	R652-S748 PolarHBondContact NH1-OG 3.11Å; P745-S748 PolarHBondContact O-N 2.72Å; T746-S748 VanDerWaalsContact C-N 3.33Å; T746-S748 PolarHBondContact O-N 2.82Å; S748-L752 WeakPolarHBondContact O-CB 3.43Å; S748-L752 WeakPolarHBondContact O-CD1 3.48Å; S748-L752 VanDerWaalsContact O-CG 3.24Å; S748-L752 WeakPolarHBondContact O-CG 3.26Å; S748-L752 PolarHBondContact O-N 2.79Å
749	L	94.7	Very high	92.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-74.4	-41.1	164.4	-77.7	178.7	0	0	0	111.5	V738 P744 P745 T746 L752 I753 I771 E787 I790 L791	V738-L749 HydrophobicContact CG1-CB 3.94Å; V738-L749 HydrophobicContact CG1-CD1 3.67Å; V738-L749 HydrophobicContact CG1-CG 4.46Å; V738-L749 HydrophobicContact CG2-CB 4.24Å; P744-L749 HydrophobicContact CG-CD1 4.47Å; P744-L749 HydrophobicContact CG-CD2 3.75Å; P744-L749 HydrophobicContact CG-CG 3.95Å; P744-L749 WeakPolarHBondContact O-CD1 3.44Å; P745-L749 PolarHBondContact O-N 2.97Å; T746-L749 PolarHBondContact O-N 3.38Å; L749-L752 HydrophobicContact CD2-CD1 4.49Å; L749-L752 PolarHBondContact O-N 2.64Å; L749-I753 WeakPolarHBondContact O-CD1 3.24Å; L749-I753 VanDerWaalsContact O-CG1 3.26Å; L749-I753 WeakPolarHBondContact O-CG1 3.45Å; L749-I753 PolarHBondContact O-N 3.1Å; L749-I771 HydrophobicContact CD1-CG2 4.48Å; L749-E787 HydrophobicContact CD1-CB 4.26Å; L749-E787 HydrophobicContact CD1-CG 3.93Å; L749-I790 HydrophobicContact CD2-CD1 4.41Å; L749-L791 HydrophobicContact CD2-CD2 3.92Å
750	V	95.4	Very high	92.6	Very high	38 Å²	38	55.1 Å²	55.1	23%	0.23	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-48.7	172.7	167.1	0	0	0	0	110.5	V738 T746 Q747 L752 I753 E754 A760	V738-V750 HydrophobicContact CB-CG2 4.4Å; V738-V750 HydrophobicContact CG2-CG2 4.07Å; T746-V750 WeakPolarHBondContact O-CG2 3.49Å; T746-V750 PolarHBondContact O-N 3.05Å; Q747-V750 PolarHBondContact O-N 2.81Å; V750-L752 VanDerWaalsContact C-N 3.31Å; V750-L752 PolarHBondContact O-N 3.43Å; V750-I753 PolarHBondContact O-N 2.79Å; V750-I753 VanDerWaalsContact O-N 3.09Å; V750-E754 HydrophobicContact CG1-CG 4.34Å; V750-E754 WeakPolarHBondContact CG1-OE1 3.43Å; V750-E754 WeakPolarHBondContact O-CG 3.38Å; V750-E754 PolarHBondContact O-N 3.18Å; V750-A760 HydrophobicContact CB-CB 4.47Å; V750-A760 HydrophobicContact CG1-CB 3.81Å; V750-A760 HydrophobicContact CG2-CB 4.31Å
751	E	95	Very high	92.8	Very high	46 Å²	46	48 Å²	48	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-54.1	-44.4	173.9	-173.9	-172.9	176.7	0	0	112.3	L673 R677 Q747 L755	L673-E751 HydrophobicContact CD2-CB 4.45Å; L673-E751 VanDerWaalsContact CD2-CD 3.44Å; L673-E751 HydrophobicContact CD2-CG 3.86Å; R677-E751 IonicContact CZ-OE1 2.68Å; R677-E751 VanDerWaalsContact CZ-OE1 3.22Å; R677-E751 IonicContact NH1-OE1 2.9Å; R677-E751 PolarHBondContact NH1-OE1 2.95Å; R677-E751 IonicContact NH2-OE1 3.94Å; R677-E751 PolarHBondContact NH2-OE1 3.18Å; Q747-E751 WeakPolarHBondContact O-CB 3.38Å; Q747-E751 PolarHBondContact O-N 2.6Å; E751-L755 HydrophobicContact CG-CD1 3.93Å; E751-L755 WeakPolarHBondContact O-CB 3.49Å; E751-L755 WeakPolarHBondContact O-CD1 3.48Å; E751-L755 WeakPolarHBondContact O-CG 3.47Å; E751-L755 PolarHBondContact O-N 3.31Å
752	L	95.3	Very high	93	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-38.6	176.3	-78.3	169	0	0	0	113	L669 L672 L673 A676 S748 L749 V750 C756 L791 I794	L669-L752 HydrophobicContact CD1-CD1 3.88Å; L672-L752 HydrophobicContact CB-CD1 4.24Å; L672-L752 HydrophobicContact CB-CD2 3.99Å; L673-L752 HydrophobicContact CD2-CD2 3.69Å; L673-L752 HydrophobicContact CD2-CG 3.82Å; L673-L752 HydrophobicContact CG-CD2 4.17Å; L673-L752 HydrophobicContact CG-CG 4.47Å; A676-L752 HydrophobicContact CB-CD2 3.99Å; S748-L752 WeakPolarHBondContact O-CB 3.43Å; S748-L752 WeakPolarHBondContact O-CD1 3.48Å; S748-L752 VanDerWaalsContact O-CG 3.24Å; S748-L752 WeakPolarHBondContact O-CG 3.26Å; S748-L752 PolarHBondContact O-N 2.79Å; L749-L752 HydrophobicContact CD2-CD1 4.49Å; L749-L752 PolarHBondContact O-N 2.64Å; V750-L752 VanDerWaalsContact C-N 3.31Å; V750-L752 PolarHBondContact O-N 3.43Å; L752-C756 VanDerWaalsContact O-CB 3.24Å; L752-C756 WeakPolarHBondContact O-CB 3.27Å; L752-C756 PolarHBondContact O-N 3.28Å; L752-C756 PolarHBondContact O-SG 2.85Å; L752-C756 VanDerWaalsContact O-SG 3.38Å; L752-L791 HydrophobicContact CD1-CD2 4.37Å; L752-I794 HydrophobicContact CB-CD1 3.92Å; L752-I794 HydrophobicContact CD2-CD1 3.95Å; L752-I794 HydrophobicContact CG-CD1 4.36Å
753	I	95	Very high	93	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-48.3	176.6	-68.7	158.7	0	0	0	110.2	I736 V738 L749 V750 C756 G757 G758 A760 I790	I736-I753 HydrophobicContact CB-CD1 4.19Å; I736-I753 HydrophobicContact CD1-CG1 4.47Å; I736-I753 HydrophobicContact CD1-CG2 4.08Å; I736-I753 HydrophobicContact CG2-CD1 3.77Å; V738-I753 HydrophobicContact CG2-CD1 3.57Å; L749-I753 WeakPolarHBondContact O-CD1 3.24Å; L749-I753 VanDerWaalsContact O-CG1 3.26Å; L749-I753 WeakPolarHBondContact O-CG1 3.45Å; L749-I753 PolarHBondContact O-N 3.1Å; V750-I753 PolarHBondContact O-N 2.79Å; V750-I753 VanDerWaalsContact O-N 3.09Å; I753-C756 CarbonylContact O-C 3.52Å; I753-C756 VanDerWaalsContact O-C 3.31Å; I753-C756 WeakPolarHBondContact O-CA 3.48Å; I753-C756 PolarHBondContact O-N 2.84Å; I753-G757 PolarHBondContact O-N 3.47Å; I753-G758 PolarHBondContact O-N 2.92Å; I753-A760 HydrophobicContact CG2-CB 4.4Å; I753-I790 HydrophobicContact CD1-CD1 3.72Å; I753-I790 HydrophobicContact CG1-CD1 3.75Å
754	E	94.4	Very high	93.1	Very high	108 Å²	108	45.6 Å²	45.6	51%	0.505	25%	0.251	S	S	.	.	H	α-helix	trans	-66.7	-43.4	-175.9	-69.5	171.4	167.1	0	0	111.8	V750 C756 G757 A760	V750-E754 HydrophobicContact CG1-CG 4.34Å; V750-E754 WeakPolarHBondContact CG1-OE1 3.43Å; V750-E754 WeakPolarHBondContact O-CG 3.38Å; V750-E754 PolarHBondContact O-N 3.18Å; E754-C756 PolarHBondContact O-N 2.97Å; E754-G757 PolarHBondContact O-N 3.35Å; E754-A760 HydrophobicContact CG-CB 4.11Å
755	L	93.4	Very high	93.1	Very high	28 Å²	28	55.8 Å²	55.8	15%	0.147	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-29.7	172.9	-70	167.5	0	0	0	113	L673 A676 R677 Q727 E751 G757	L673-L755 HydrophobicContact CD2-CD1 4.1Å; A676-L755 HydrophobicContact CB-CB 3.95Å; A676-L755 HydrophobicContact CB-CD1 4.12Å; R677-L755 HydrophobicContact CG-CD1 3.99Å; R677-L755 HydrophobicContact CG-CD2 3.98Å; Q727-L755 PolarHBondContact N-O 3.02Å; Q727-L755 VanDerWaalsContact N-O 3.13Å; E751-L755 HydrophobicContact CG-CD1 3.93Å; E751-L755 WeakPolarHBondContact O-CB 3.49Å; E751-L755 WeakPolarHBondContact O-CD1 3.48Å; E751-L755 WeakPolarHBondContact O-CG 3.47Å; E751-L755 PolarHBondContact O-N 3.31Å; L755-G757 VanDerWaalsContact C-N 3.28Å
756	C	93.1	Very high	93	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	14.3	174.3	-70.4	0	0	0	0	113.7	Q727 N728 L729 F730 L752 I753 E754 G758	Q727-C756 CarbonylContact O-C 3.48Å; Q727-C756 VanDerWaalsContact O-O 3.11Å; Q727-C756 PolarHBondContact OE1-SG 3.19Å; N728-C756 CarbonylContact C-O 3.56Å; L729-C756 HydrophobicContact CB-CB 4.2Å; L729-C756 PolarHBondContact N-O 3.48Å; L729-C756 VanDerWaalsContact N-O 3.09Å; F730-C756 HydrophobicContact CD2-CB 3.45Å; F730-C756 VanDerWaalsContact CD2-CB 3.45Å; F730-C756 HydrophobicContact CE2-CB 3.73Å; F730-C756 HydrophobicContact CG-CB 4.44Å; F730-C756 PolarHBondContact N-O 2.86Å; L752-C756 VanDerWaalsContact O-CB 3.24Å; L752-C756 WeakPolarHBondContact O-CB 3.27Å; L752-C756 PolarHBondContact O-N 3.28Å; L752-C756 PolarHBondContact O-SG 2.85Å; L752-C756 VanDerWaalsContact O-SG 3.38Å; I753-C756 CarbonylContact O-C 3.52Å; I753-C756 VanDerWaalsContact O-C 3.31Å; I753-C756 WeakPolarHBondContact O-CA 3.48Å; I753-C756 PolarHBondContact O-N 2.84Å; E754-C756 PolarHBondContact O-N 2.97Å; C756-G758 VanDerWaalsContact C-N 3.27Å; C756-G758 PolarHBondContact O-N 2.88Å
757	G	92.1	Very high	92.9	Very high	26 Å²	26	56.6 Å²	56.6	27%	0.268	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	8.5	169.8	0	0	0	0	0	114.7	Q727 Q731 I753 E754 L755	Q727-G757 WeakPolarHBondContact O-CA 3.33Å; Q727-G757 PolarHBondContact O-N 2.95Å; Q731-G757 WeakPolarHBondContact CA-O 3.42Å; I753-G757 PolarHBondContact O-N 3.47Å; E754-G757 PolarHBondContact O-N 3.35Å; L755-G757 VanDerWaalsContact C-N 3.28Å
758	G	93.9	Very high	92.8	Very high	6 Å²	6	49.8 Å²	49.8	6%	0.062	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-85.2	153.8	175.7	0	0	0	0	0	112.3	F730 I753 C756	F730-G758 WeakPolarHBondContact O-CA 3.44Å; I753-G758 PolarHBondContact O-N 2.92Å; C756-G758 VanDerWaalsContact C-N 3.27Å; C756-G758 PolarHBondContact O-N 2.88Å
759	T	94.6	Very high	92.7	Very high	80 Å²	80	49.8 Å²	49.8	49%	0.491	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-91.7	117.1	177.9	51.3	0	0	0	0	111.1	P735 I736	P735-T759 WeakPolarHBondContact CA-O 3.43Å; P735-T759 WeakPolarHBondContact CA-OG1 3.27Å; I736-T759 PolarHBondContact N-O 3.41Å
760	A	94.6	Very high	92.6	Very high	30 Å²	30	49.8 Å²	49.8	25%	0.248	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	129.4	177.7	0	0	0	0	0	111.9	I736 V750 I753 E754	I736-A760 CarbonylContact O-C 3.59Å; I736-A760 WeakPolarHBondContact O-CA 3.45Å; V750-A760 HydrophobicContact CB-CB 4.47Å; V750-A760 HydrophobicContact CG1-CB 3.81Å; V750-A760 HydrophobicContact CG2-CB 4.31Å; I753-A760 HydrophobicContact CG2-CB 4.4Å; E754-A760 HydrophobicContact CG-CB 4.11Å
761	C	92.8	Very high	92.5	Very high	27 Å²	27	48 Å²	48	18%	0.182	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134	179.5	-87.9	0	0	0	0	112.8	P735 I736 F737 T763 Q766 A767	P735-C761 HydrophobicContact CB-CB 4.45Å; P735-C761 WeakPolarHBondContact CB-SG 3.47Å; I736-C761 PolarHBondContact O-N 3.35Å; F737-C761 WeakPolarHBondContact CD2-O 3.37Å; C761-T763 VanDerWaalsContact C-N 3.3Å; C761-T763 PolarHBondContact O-N 2.92Å; C761-Q766 HydrophobicContact CB-CB 4.36Å; C761-A767 HydrophobicContact CB-CB 4.37Å
762	K	90.1	Very high	92.3	Very high	201 Å²	201	45.9 Å²	45.9	87%	0.874	24%	0.237	S	C	*	.	S	Bend	trans	-76	-14.4	173.6	-63.5	177.6	-176.8	173.9	0	113.3
763	T	89.6	Confident	91.9	Very high	63 Å²	63	53.8 Å²	53.8	39%	0.387	27%	0.271	S	S	.	.	S	Bend	trans	-132.4	141.1	-179.6	82.4	0	0	0	0	112.5	C761 R765 Q766	C761-T763 VanDerWaalsContact C-N 3.3Å; C761-T763 PolarHBondContact O-N 2.92Å; T763-R765 PolarHBondContact O-N 3.22Å; T763-Q766 PolarHBondContact O-N 3.21Å; T763-Q766 PolarHBondContact OG1-OE1 3.36Å
764	V	89.8	Confident	91.4	Very high	10 Å²	10	57.8 Å²	57.8	6%	0.061	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-62.6	-28.3	178.6	177.8	0	0	0	0	112.5	F737 Q766 A767 Y774 R778 P779	F737-V764 HydrophobicContact CD1-CG2 3.51Å; F737-V764 HydrophobicContact CD2-CG2 3.87Å; F737-V764 HydrophobicContact CE1-CG2 3.45Å; F737-V764 VanDerWaalsContact CE1-CG2 3.45Å; F737-V764 HydrophobicContact CE2-CG2 3.82Å; F737-V764 HydrophobicContact CG-CG2 3.72Å; F737-V764 HydrophobicContact CZ-CG2 3.61Å; V764-Q766 PolarHBondContact O-N 2.92Å; V764-A767 PolarHBondContact O-N 3.19Å; V764-Y774 HydrophobicContact CB-CE1 4.4Å; V764-Y774 HydrophobicContact CG1-CD1 4.44Å; V764-Y774 HydrophobicContact CG1-CE1 3.92Å; V764-Y774 HydrophobicContact CG2-CD1 4.42Å; V764-Y774 HydrophobicContact CG2-CD2 4.39Å; V764-Y774 HydrophobicContact CG2-CE1 3.93Å; V764-Y774 HydrophobicContact CG2-CE2 3.9Å; V764-R778 HydrophobicContact CG1-CB 4.04Å; V764-P779 VanDerWaalsContact O-CD 3.31Å; V764-P779 WeakPolarHBondContact O-CD 3.13Å; V764-P779 WeakPolarHBondContact O-CG 3.32Å
765	R	89	Confident	90.7	Very high	225 Å²	225	58.9 Å²	58.9	85%	0.849	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-65.8	-19.2	-178.6	-66.4	-172.2	-177.4	-173.4	2.3	113.9	T763	T763-R765 PolarHBondContact O-N 3.22Å
766	Q	89.4	Confident	90.2	Very high	125 Å²	125	59.3 Å²	59.3	58%	0.584	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-101.7	-5.3	-178.5	-66	166	-52	0	0	112.5	C761 T763 V764	C761-Q766 HydrophobicContact CB-CB 4.36Å; T763-Q766 PolarHBondContact O-N 3.21Å; T763-Q766 PolarHBondContact OG1-OE1 3.36Å; V764-Q766 PolarHBondContact O-N 2.92Å
767	A	91.6	Very high	89.6	Confident	3 Å²	3	70.6 Å²	70.6	3%	0.025	36%	0.36	C	S	.	.			trans	-102.9	129.5	-166.9	0	0	0	0	0	113	P735 F737 C761 V764 S782	P735-A767 CarbonylContact O-C 3.57Å; P735-A767 WeakPolarHBondContact O-CA 3.46Å; P735-A767 WeakPolarHBondContact O-CB 3.35Å; F737-A767 HydrophobicContact CB-CB 3.48Å; F737-A767 VanDerWaalsContact CB-CB 3.48Å; C761-A767 HydrophobicContact CB-CB 4.37Å; V764-A767 PolarHBondContact O-N 3.19Å; A767-S782 WeakPolarHBondContact O-CB 3.38Å; A767-S782 PolarHBondContact O-OG 3.15Å
768	G	90.3	Very high	89	Confident	25 Å²	25	74.2 Å²	74.2	26%	0.258	37%	0.366	S	S	.	.	S	Bend	trans	-82.7	-23.9	169.9	0	0	0	0	0	112.9	P735 S782 R783	P735-G768 PolarHBondContact O-N 2.9Å; G768-S782 WeakPolarHBondContact O-CA 3.43Å; G768-R783 PolarHBondContact O-N 3.12Å
769	I	93	Very high	88.5	Confident	4 Å²	4	76 Å²	76	2%	0.021	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.8	175.4	-66.6	166.1	0	0	0	109	P734 P735 I736 F737 I771 L785 W789 Y802	P734-I769 HydrophobicContact CG-CD1 3.85Å; P734-I769 HydrophobicContact CG-CG1 3.96Å; P735-I769 PolarHBondContact O-N 3.24Å; I736-I769 WeakPolarHBondContact CA-O 3.43Å; I736-I769 HydrophobicContact CG1-CB 4.45Å; I736-I769 HydrophobicContact CG2-CG2 4.29Å; F737-I769 PolarHBondContact N-O 3.09Å; I769-I771 HydrophobicContact CG2-CD1 3.52Å; I769-I771 HydrophobicContact CG2-CG1 4.13Å; I769-L785 HydrophobicContact CG2-CD1 3.74Å; I769-L785 HydrophobicContact CG2-CG 4.1Å; I769-W789 HydrophobicContact CD1-CH2 4.27Å; I769-Y802 HydrophobicContact CD1-CE1 4.03Å
770	C	92.6	Very high	87.7	Confident	1 Å²	1	82 Å²	82	1%	0.007	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.5	170.5	-67.1	0	0	0	0	109.4	F737 R783 I784 L785	F737-C770 CarbonylContact O-C 3.49Å; F737-C770 WeakPolarHBondContact O-CA 3.23Å; C770-R783 PolarHBondContact N-O 2.94Å; C770-I784 HydrophobicContact CB-CG1 4.15Å; C770-I784 CarbonylContact O-C 3.6Å; C770-I784 WeakPolarHBondContact O-CA 3.4Å; C770-L785 PolarHBondContact O-N 2.82Å
771	I	93.8	Very high	87.1	Confident	1 Å²	1	84.1 Å²	84.1	1%	0.005	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.4	-174.9	-56.7	-66.3	0	0	0	110.4	I736 F737 V738 S739 L749 I769 L785 E787 W789 I790	I736-I771 HydrophobicContact CG2-CD1 4.13Å; I736-I771 HydrophobicContact CG2-CG1 3.37Å; F737-I771 PolarHBondContact O-N 3.36Å; V738-I771 HydrophobicContact CG1-CB 4.48Å; V738-I771 HydrophobicContact CG1-CG2 4.49Å; V738-I771 HydrophobicContact CG2-CB 4.35Å; S739-I771 VanDerWaalsContact CB-O 3.26Å; S739-I771 WeakPolarHBondContact CB-O 3.33Å; S739-I771 PolarHBondContact N-O 3.37Å; L749-I771 HydrophobicContact CD1-CG2 4.48Å; I769-I771 HydrophobicContact CG2-CD1 3.52Å; I769-I771 HydrophobicContact CG2-CG1 4.13Å; I771-L785 CarbonylContact C-O 3.58Å; I771-L785 WeakPolarHBondContact CA-O 3.41Å; I771-L785 HydrophobicContact CD1-CB 4.05Å; I771-L785 HydrophobicContact CD1-CD1 4.36Å; I771-E787 HydrophobicContact CG2-CB 4.43Å; I771-E787 HydrophobicContact CG2-CG 4.18Å; I771-W789 HydrophobicContact CD1-CE3 3.98Å; I771-W789 HydrophobicContact CD1-CZ3 4.38Å; I771-I790 HydrophobicContact CD1-CD1 4.19Å; I771-I790 HydrophobicContact CD1-CG1 4.3Å; I771-I790 HydrophobicContact CG1-CD1 3.99Å; I771-I790 HydrophobicContact CG2-CD1 3.98Å
772	G	90.2	Very high	86.7	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	42%	0.417	C	S	.	.	S	Bend	trans	75.3	168	-173.3	0	0	0	0	0	112.4	Y774 L785 E787	G772-Y774 PolarHBondContact O-N 3.21Å; G772-L785 PolarHBondContact N-O 3.36Å; G772-E787 WeakPolarHBondContact CA-OE1 3.4Å
773	K	85.8	Confident	86.6	Confident	167 Å²	167	77.9 Å²	77.9	73%	0.726	39%	0.392	S	S	*	.			trans	-62.9	127.2	-172.3	-66.1	178.9	-179.3	177.1	0	111.8	S739 L807	S739-K773 WeakPolarHBondContact CB-O 3.18Å; S739-K773 PolarHBondContact OG-O 3.21Å; K773-L807 HydrophobicContact CG-CD1 4.07Å
774	Y	85.9	Confident	86.7	Confident	84 Å²	84	75.8 Å²	75.8	33%	0.329	38%	0.378	S	S	.	.			trans	-137.5	138.5	176.3	-176.2	-103.6	0	0	0	110.4	F737 V764 G772 G776	F737-Y774 HydrophobicContact CE1-CD2 4.24Å; V764-Y774 HydrophobicContact CB-CE1 4.4Å; V764-Y774 HydrophobicContact CG1-CD1 4.44Å; V764-Y774 HydrophobicContact CG1-CE1 3.92Å; V764-Y774 HydrophobicContact CG2-CD1 4.42Å; V764-Y774 HydrophobicContact CG2-CD2 4.39Å; V764-Y774 HydrophobicContact CG2-CE1 3.93Å; V764-Y774 HydrophobicContact CG2-CE2 3.9Å; G772-Y774 PolarHBondContact O-N 3.21Å; Y774-G776 VanDerWaalsContact CE1-N 3.26Å
775	S	79.6	Confident	86.9	Confident	131 Å²	131	75.3 Å²	75.3	92%	0.916	38%	0.375	S	S	*	.			trans	-125.7	18.1	-171.7	67.7	0	0	0	0	114
776	G	82.3	Confident	87.2	Confident	37 Å²	37	65.7 Å²	65.7	38%	0.381	34%	0.342	S	S	.	.	S	Bend	trans	-99.8	-179.3	179.9	0	0	0	0	0	113.7	Y774 R778	Y774-G776 VanDerWaalsContact CE1-N 3.26Å; G776-R778 PolarHBondContact O-N 3.09Å
777	R	80.4	Confident	87.4	Confident	236 Å²	236	61 Å²	61	89%	0.891	32%	0.32	S	S	*	.			trans	-64.8	128.1	169.8	-67.8	-75.2	-144.9	-88.3	-3.3	109.6
778	R	80.6	Confident	87.5	Confident	103 Å²	103	63.1 Å²	63.1	39%	0.389	33%	0.329	S	S	.	.			trans	-115.8	161.9	174.9	56.3	169.4	169.8	-179.5	-7.3	111.2	V764 G776 S782 E808	V764-R778 HydrophobicContact CG1-CB 4.04Å; G776-R778 PolarHBondContact O-N 3.09Å; R778-S782 WeakPolarHBondContact CD-O 3.48Å; R778-S782 PolarHBondContact NH1-O 3.43Å; R778-E808 IonicContact CZ-OE1 2.68Å; R778-E808 IonicContact CZ-OE2 3.73Å; R778-E808 VanDerWaalsContact CZ-OE2 3.31Å; R778-E808 IonicContact NH1-OE1 3.85Å; R778-E808 PolarHBondContact NH1-OE1 2.68Å; R778-E808 IonicContact NH1-OE2 2.72Å; R778-E808 PolarHBondContact NH1-OE2 3.02Å; R778-E808 IonicContact NH2-OE1 2.66Å; R778-E808 IonicContact NH2-OE2 3.85Å; R778-E808 PolarHBondContact NH2-OE2 2.56Å
779	P	82	Confident	87.7	Confident	43 Å²	43	61.9 Å²	61.9	28%	0.279	32%	0.317	S	S	.	.			trans	-59.1	157.2	164	-17.6	30	0	0	0	111.8	V764 S782	V764-P779 VanDerWaalsContact O-CD 3.31Å; V764-P779 WeakPolarHBondContact O-CD 3.13Å; V764-P779 WeakPolarHBondContact O-CG 3.32Å; P779-S782 WeakPolarHBondContact CB-OG 3.45Å; P779-S782 WeakPolarHBondContact CD-OG 3.33Å; P779-S782 WeakPolarHBondContact CG-OG 3.4Å; P779-S782 PolarHBondContact O-N 3.06Å
780	E	78.5	Confident	87.8	Confident	205 Å²	205	61.7 Å²	61.7	96%	0.958	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	129.8	174.5	-167.9	162.7	-158.2	0	0	109.7
781	G	81	Confident	87.9	Confident	75 Å²	75	61.8 Å²	61.8	77%	0.773	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-10.5	-174.2	0	0	0	0	0	116.2	R783	G781-R783 PolarHBondContact O-N 3.45Å
782	S	84.4	Confident	87.9	Confident	6 Å²	6	63.3 Å²	63.3	4%	0.042	33%	0.325	C	S	.	.			trans	-71.8	114.5	177.2	-60	0	0	0	0	112	A767 G768 R778 P779	A767-S782 WeakPolarHBondContact O-CB 3.38Å; A767-S782 PolarHBondContact O-OG 3.15Å; G768-S782 WeakPolarHBondContact O-CA 3.43Å; R778-S782 WeakPolarHBondContact CD-O 3.48Å; R778-S782 PolarHBondContact NH1-O 3.43Å; P779-S782 WeakPolarHBondContact CB-OG 3.45Å; P779-S782 WeakPolarHBondContact CD-OG 3.33Å; P779-S782 WeakPolarHBondContact CG-OG 3.4Å; P779-S782 PolarHBondContact O-N 3.06Å
783	R	88.6	Confident	88.1	Confident	92 Å²	92	63.3 Å²	63.3	35%	0.347	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	152	178.2	-70.2	-175.1	173.3	-124.1	9.2	112.8	G768 C770 G781 L785 D803 D806	G768-R783 PolarHBondContact O-N 3.12Å; C770-R783 PolarHBondContact N-O 2.94Å; G781-R783 PolarHBondContact O-N 3.45Å; R783-L785 HydrophobicContact CB-CD2 4.36Å; R783-D803 IonicContact NH1-OD1 3.09Å; R783-D806 IonicContact NH1-OD1 2.82Å; R783-D806 PolarHBondContact NH1-OD1 3.31Å; R783-D806 VanDerWaalsContact NH1-OD1 3.12Å; R783-D806 IonicContact NH1-OD2 2.77Å; R783-D806 PolarHBondContact NH1-OD2 3.3Å
784	I	91.5	Very high	88.5	Confident	19 Å²	19	55.4 Å²	55.4	10%	0.097	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.2	169.9	-52.9	172.1	0	0	0	109.7	C770 D806 L807 E808	C770-I784 HydrophobicContact CB-CG1 4.15Å; C770-I784 CarbonylContact O-C 3.6Å; C770-I784 WeakPolarHBondContact O-CA 3.4Å; I784-D806 CarbonylContact O-C 3.56Å; I784-D806 WeakPolarHBondContact O-CA 3.37Å; I784-L807 HydrophobicContact CG2-CB 4.09Å; I784-L807 HydrophobicContact CG2-CD1 4.44Å; I784-L807 PolarHBondContact O-N 3.31Å; I784-E808 HydrophobicContact CB-CG 4.14Å; I784-E808 PolarHBondContact N-OE1 2.66Å
785	L	94.1	Very high	88.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	158.3	179.3	-47	177.9	0	0	0	111.6	I769 C770 I771 G772 R783 W789 Y802 Y805 D806	I769-L785 HydrophobicContact CG2-CD1 3.74Å; I769-L785 HydrophobicContact CG2-CG 4.1Å; C770-L785 PolarHBondContact O-N 2.82Å; I771-L785 CarbonylContact C-O 3.58Å; I771-L785 WeakPolarHBondContact CA-O 3.41Å; I771-L785 HydrophobicContact CD1-CB 4.05Å; I771-L785 HydrophobicContact CD1-CD1 4.36Å; G772-L785 PolarHBondContact N-O 3.36Å; R783-L785 HydrophobicContact CB-CD2 4.36Å; L785-W789 HydrophobicContact CB-CB 4.42Å; L785-W789 HydrophobicContact CD1-CB 4.44Å; L785-W789 HydrophobicContact CD1-CD2 3.67Å; L785-W789 HydrophobicContact CD1-CE3 3.88Å; L785-W789 HydrophobicContact CD1-CG 3.91Å; L785-W789 HydrophobicContact CD1-CZ3 4.44Å; L785-Y802 HydrophobicContact CD1-CD1 3.58Å; L785-Y802 HydrophobicContact CD1-CE1 4.11Å; L785-Y802 HydrophobicContact CD1-CG 4.43Å; L785-Y802 HydrophobicContact CD2-CD1 4.27Å; L785-Y802 HydrophobicContact CD2-CG 4.37Å; L785-Y805 CarbonylContact C-O 3.29Å; L785-Y805 WeakPolarHBondContact CA-O 3.4Å; L785-D806 WeakPolarHBondContact CD2-OD1 3.07Å
786	S	94.7	Very high	89.3	Confident	22 Å²	22	50.2 Å²	50.2	15%	0.154	26%	0.259	C	S	.	.			trans	-72.5	148.7	167.3	-177.3	0	0	0	0	112.1	Q788 W789 Y805	S786-Q788 PolarHBondContact O-N 3.43Å; S786-Q788 VanDerWaalsContact O-N 3.09Å; S786-Q788 PolarHBondContact OG-N 2.63Å; S786-W789 WeakPolarHBondContact O-CB 3.41Å; S786-W789 PolarHBondContact O-N 3.04Å; S786-Y805 PolarHBondContact N-O 3.28Å
787	E	94.5	Very high	89.6	Confident	27 Å²	27	50.1 Å²	50.1	13%	0.126	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.7	-38.4	165.7	-56.6	88.8	157.3	0	0	112.5	S742 Q743 L749 I771 G772 W789 I790 L791	S742-E787 WeakPolarHBondContact CA-OE1 3.36Å; Q743-E787 PolarHBondContact N-OE1 2.95Å; Q743-E787 WeakPolarHBondContact O-CB 3.4Å; Q743-E787 WeakPolarHBondContact O-CG 3.45Å; L749-E787 HydrophobicContact CD1-CB 4.26Å; L749-E787 HydrophobicContact CD1-CG 3.93Å; I771-E787 HydrophobicContact CG2-CB 4.43Å; I771-E787 HydrophobicContact CG2-CG 4.18Å; G772-E787 WeakPolarHBondContact CA-OE1 3.4Å; E787-W789 PolarHBondContact O-N 3.38Å; E787-W789 VanDerWaalsContact O-N 3.15Å; E787-I790 PolarHBondContact O-N 3.15Å; E787-I790 VanDerWaalsContact O-N 3.1Å; E787-L791 WeakPolarHBondContact O-CG 3.48Å; E787-L791 PolarHBondContact O-N 2.8Å
788	Q	93.9	Very high	90.2	Very high	47 Å²	47	45.5 Å²	45.5	22%	0.22	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-28.2	-179.8	-56.4	-59.5	-29.9	0	0	113	S786 I790 L791 D792 Y805	S786-Q788 PolarHBondContact O-N 3.43Å; S786-Q788 VanDerWaalsContact O-N 3.09Å; S786-Q788 PolarHBondContact OG-N 2.63Å; Q788-I790 VanDerWaalsContact C-N 3.3Å; Q788-I790 PolarHBondContact O-N 3.03Å; Q788-L791 PolarHBondContact O-N 3.28Å; Q788-D792 VanDerWaalsContact O-CB 3.23Å; Q788-D792 WeakPolarHBondContact O-CB 3.26Å; Q788-D792 PolarHBondContact O-N 2.69Å; Q788-Y805 HydrophobicContact CB-CD1 4.05Å; Q788-Y805 HydrophobicContact CB-CE1 3.95Å
789	W	95.3	Very high	90.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.6	-41.6	176.6	176.6	77	0	0	0	112	F730 Q733 I736 I769 I771 L785 S786 E787 S793 I799 L800 Y802 Y805	F730-W789 HydrophobicContact CD1-CH2 4.06Å; F730-W789 AromaticContact CE1-CH2 3.93Å; F730-W789 HydrophobicContact CE1-CH2 3.93Å; F730-W789 HydrophobicContact CE1-CZ2 4.45Å; F730-W789 HydrophobicContact CE1-CZ3 4.15Å; Q733-W789 HydrophobicContact CG-CH2 4.49Å; I736-W789 HydrophobicContact CD1-CZ3 4.26Å; I769-W789 HydrophobicContact CD1-CH2 4.27Å; I771-W789 HydrophobicContact CD1-CE3 3.98Å; I771-W789 HydrophobicContact CD1-CZ3 4.38Å; L785-W789 HydrophobicContact CB-CB 4.42Å; L785-W789 HydrophobicContact CD1-CB 4.44Å; L785-W789 HydrophobicContact CD1-CD2 3.67Å; L785-W789 HydrophobicContact CD1-CE3 3.88Å; L785-W789 HydrophobicContact CD1-CG 3.91Å; L785-W789 HydrophobicContact CD1-CZ3 4.44Å; S786-W789 WeakPolarHBondContact O-CB 3.41Å; S786-W789 PolarHBondContact O-N 3.04Å; E787-W789 PolarHBondContact O-N 3.38Å; E787-W789 VanDerWaalsContact O-N 3.15Å; W789-S793 WeakPolarHBondContact O-CB 3.37Å; W789-S793 PolarHBondContact O-N 2.85Å; W789-S793 PolarHBondContact O-OG 2.79Å; W789-I799 HydrophobicContact CZ2-CG2 3.88Å; W789-L800 PolarHBondContact NE1-O 2.68Å; W789-Y802 AromaticContact CE2-CE1 3.95Å; W789-Y802 HydrophobicContact CH2-CE1 4.38Å; W789-Y802 HydrophobicContact CZ2-CD1 4.17Å; W789-Y802 AromaticContact CZ2-CE1 3.63Å; W789-Y802 HydrophobicContact CZ2-CE1 3.63Å; W789-Y802 AromaticContact NE1-CD1 3.79Å; W789-Y805 HydrophobicContact CB-CD1 3.91Å; W789-Y805 HydrophobicContact CB-CD2 4.16Å; W789-Y805 HydrophobicContact CB-CG 3.71Å; W789-Y805 AromaticContact CD1-CD2 3.69Å; W789-Y805 HydrophobicContact CG-CD2 4.33Å; W789-Y805 HydrophobicContact CG-CG 4.33Å
790	I	95.1	Very high	91.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.5	-51.9	175.1	-61.8	179.2	0	0	0	109.8	F730 L749 I753 I771 E787 Q788 D792 S793 I794	F730-I790 HydrophobicContact CE2-CG2 4.13Å; F730-I790 HydrophobicContact CZ-CG2 4.16Å; L749-I790 HydrophobicContact CD2-CD1 4.41Å; I753-I790 HydrophobicContact CD1-CD1 3.72Å; I753-I790 HydrophobicContact CG1-CD1 3.75Å; I771-I790 HydrophobicContact CD1-CD1 4.19Å; I771-I790 HydrophobicContact CD1-CG1 4.3Å; I771-I790 HydrophobicContact CG1-CD1 3.99Å; I771-I790 HydrophobicContact CG2-CD1 3.98Å; E787-I790 PolarHBondContact O-N 3.15Å; E787-I790 VanDerWaalsContact O-N 3.1Å; Q788-I790 VanDerWaalsContact C-N 3.3Å; Q788-I790 PolarHBondContact O-N 3.03Å; I790-D792 VanDerWaalsContact C-N 3.33Å; I790-D792 PolarHBondContact O-N 3.19Å; I790-S793 PolarHBondContact O-N 3.32Å; I790-I794 HydrophobicContact CG2-CD1 3.68Å; I790-I794 HydrophobicContact CG2-CG1 4.35Å; I790-I794 WeakPolarHBondContact O-CG1 3.42Å; I790-I794 PolarHBondContact O-N 3.3Å
791	L	94.6	Very high	92	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-44.2	-173.4	-49	177.8	0	0	0	110.9	F433 R667 L672 P744 L749 L752 E787 Q788 T795	F433-L791 HydrophobicContact CD1-CD1 3.97Å; F433-L791 HydrophobicContact CE1-CD1 3.62Å; R667-L791 VanDerWaalsContact NH1-C 3.35Å; R667-L791 PolarHBondContact NH1-O 3.48Å; L672-L791 HydrophobicContact CD1-CB 4.14Å; L672-L791 HydrophobicContact CD1-CD2 3.55Å; L672-L791 HydrophobicContact CD1-CG 4.32Å; P744-L791 HydrophobicContact CG-CD1 4.49Å; P744-L791 HydrophobicContact CG-CD2 4.02Å; L749-L791 HydrophobicContact CD2-CD2 3.92Å; L752-L791 HydrophobicContact CD1-CD2 4.37Å; E787-L791 WeakPolarHBondContact O-CG 3.48Å; E787-L791 PolarHBondContact O-N 2.8Å; Q788-L791 PolarHBondContact O-N 3.28Å; L791-T795 WeakPolarHBondContact O-CB 3.37Å; L791-T795 PolarHBondContact O-N 3.36Å; L791-T795 PolarHBondContact O-OG1 3.05Å
792	D	93.8	Very high	92.6	Very high	34 Å²	34	37.3 Å²	37.3	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-69.1	-41.6	177.8	-66.6	-1.9	0	0	0	111.4	R667 Q788 I790 I794 T795 N796 L800 Y805	R667-D792 IonicContact CZ-OD1 3.12Å; R667-D792 IonicContact NH1-OD1 3.47Å; R667-D792 PolarHBondContact NH1-OD1 3.19Å; R667-D792 IonicContact NH2-OD1 3.03Å; R667-D792 PolarHBondContact NH2-OD1 3.22Å; Q788-D792 VanDerWaalsContact O-CB 3.23Å; Q788-D792 WeakPolarHBondContact O-CB 3.26Å; Q788-D792 PolarHBondContact O-N 2.69Å; I790-D792 VanDerWaalsContact C-N 3.33Å; I790-D792 PolarHBondContact O-N 3.19Å; D792-I794 PolarHBondContact O-N 2.95Å; D792-T795 PolarHBondContact O-N 3.16Å; D792-N796 WeakPolarHBondContact O-CB 3.34Å; D792-N796 PolarHBondContact O-N 2.73Å; D792-N796 PolarHBondContact O-ND2 3.49Å; D792-L800 HydrophobicContact CB-CD1 3.47Å; D792-L800 VanDerWaalsContact CB-CD1 3.47Å; D792-Y805 HydrophobicContact CB-CE1 4.46Å; D792-Y805 WeakPolarHBondContact CB-OH 3.35Å; D792-Y805 VanDerWaalsContact OD2-CE1 3.27Å; D792-Y805 WeakPolarHBondContact OD2-CE1 3.17Å; D792-Y805 PolarHBondContact OD2-OH 2.75Å
793	S	94.3	Very high	92.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-41.7	177.7	-63.1	0	0	0	0	112	W789 I790 L797 K798 L800	W789-S793 WeakPolarHBondContact O-CB 3.37Å; W789-S793 PolarHBondContact O-N 2.85Å; W789-S793 PolarHBondContact O-OG 2.79Å; I790-S793 PolarHBondContact O-N 3.32Å; S793-L797 WeakPolarHBondContact O-CA 3.41Å; S793-L797 PolarHBondContact O-N 2.82Å; S793-K798 WeakPolarHBondContact CA-O 3.31Å; S793-K798 WeakPolarHBondContact CB-O 3.39Å; S793-K798 PolarHBondContact O-N 3.31Å; S793-K798 PolarHBondContact OG-O 2.79Å; S793-L800 PolarHBondContact OG-N 3.37Å
794	I	93.6	Very high	92.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-44.1	174.4	-65.1	175.2	0	0	0	110.9	L672 I675 A710 L729 F730 L752 I790 D792 N796 L797	L672-I794 HydrophobicContact CD2-CB 4.25Å; L672-I794 HydrophobicContact CD2-CG2 3.89Å; I675-I794 HydrophobicContact CG2-CG2 4.05Å; A710-I794 VanDerWaalsContact CB-O 3.31Å; A710-I794 WeakPolarHBondContact CB-O 3.26Å; L729-I794 HydrophobicContact CD2-CB 4.49Å; L729-I794 HydrophobicContact CD2-CG1 3.93Å; F730-I794 HydrophobicContact CE2-CD1 4.17Å; F730-I794 HydrophobicContact CE2-CG1 4.03Å; F730-I794 HydrophobicContact CZ-CG1 4.09Å; L752-I794 HydrophobicContact CB-CD1 3.92Å; L752-I794 HydrophobicContact CD2-CD1 3.95Å; L752-I794 HydrophobicContact CG-CD1 4.36Å; I790-I794 HydrophobicContact CG2-CD1 3.68Å; I790-I794 HydrophobicContact CG2-CG1 4.35Å; I790-I794 WeakPolarHBondContact O-CG1 3.42Å; I790-I794 PolarHBondContact O-N 3.3Å; D792-I794 PolarHBondContact O-N 2.95Å; I794-N796 PolarHBondContact O-N 2.94Å; I794-L797 PolarHBondContact O-N 2.82Å
795	T	91.9	Very high	93	Very high	19 Å²	19	45.6 Å²	45.6	12%	0.117	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-34.7	179.8	-53.7	0	0	0	0	112.2	R667 F708 A710 L791 D792	R667-T795 WeakPolarHBondContact CD-OG1 3.46Å; R667-T795 PolarHBondContact NH1-OG1 3.31Å; F708-T795 HydrophobicContact CD1-CG2 4.48Å; A710-T795 WeakPolarHBondContact CB-O 3.47Å; L791-T795 WeakPolarHBondContact O-CB 3.37Å; L791-T795 PolarHBondContact O-N 3.36Å; L791-T795 PolarHBondContact O-OG1 3.05Å; D792-T795 PolarHBondContact O-N 3.16Å
796	N	89.4	Confident	92.8	Very high	88 Å²	88	48.3 Å²	48.3	47%	0.471	25%	0.248	S	C	.	.	H	α-helix	trans	-96.7	-4.3	-179.8	-68.8	-78.6	0	0	0	114.1	D792 I794 K798	D792-N796 WeakPolarHBondContact O-CB 3.34Å; D792-N796 PolarHBondContact O-N 2.73Å; D792-N796 PolarHBondContact O-ND2 3.49Å; I794-N796 PolarHBondContact O-N 2.94Å; N796-K798 PolarHBondContact O-N 2.83Å
797	L	90.3	Very high	92.3	Very high	34 Å²	34	50.6 Å²	50.6	18%	0.178	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	40.5	-170.2	-161.4	59.7	0	0	0	113.7	A710 I713 L729 S793 I794	A710-L797 HydrophobicContact CB-CB 3.89Å; I713-L797 HydrophobicContact CB-CD2 3.77Å; I713-L797 HydrophobicContact CD1-CD2 4.29Å; I713-L797 HydrophobicContact CG2-CD2 3.49Å; I713-L797 VanDerWaalsContact CG2-CD2 3.49Å; L729-L797 HydrophobicContact CD2-CD1 4.42Å; S793-L797 WeakPolarHBondContact O-CA 3.41Å; S793-L797 PolarHBondContact O-N 2.82Å; I794-L797 PolarHBondContact O-N 2.82Å
798	K	92.3	Very high	91.1	Very high	140 Å²	140	56.7 Å²	56.7	61%	0.609	29%	0.287	S	S	*	.	S	Bend	trans	-148.3	135.6	-176.8	-70	173.4	-171.6	168.5	0	110.5	S793 N796 L800	S793-K798 WeakPolarHBondContact CA-O 3.31Å; S793-K798 WeakPolarHBondContact CB-O 3.39Å; S793-K798 PolarHBondContact O-N 3.31Å; S793-K798 PolarHBondContact OG-O 2.79Å; N796-K798 PolarHBondContact O-N 2.83Å; K798-L800 PolarHBondContact O-N 3.03Å
799	I	93.3	Very high	91	Very high	74 Å²	74	57.2 Å²	57.2	38%	0.379	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-63.3	121.7	169.7	-51	176.3	0	0	0	108.4	L729 Q733 W789	L729-I799 HydrophobicContact CD1-CG1 4.21Å; L729-I799 VanDerWaalsContact O-CD1 3.31Å; L729-I799 WeakPolarHBondContact O-CD1 3.39Å; L729-I799 WeakPolarHBondContact O-CG1 3.34Å; Q733-I799 HydrophobicContact CG-CD1 4.33Å; W789-I799 HydrophobicContact CZ2-CG2 3.88Å
800	L	93.3	Very high	90.8	Very high	38 Å²	38	60.2 Å²	60.2	20%	0.199	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-92.3	152.1	179.1	-62.1	178.3	0	0	0	111.9	W789 D792 S793 K798 Y805	W789-L800 PolarHBondContact NE1-O 2.68Å; D792-L800 HydrophobicContact CB-CD1 3.47Å; D792-L800 VanDerWaalsContact CB-CD1 3.47Å; S793-L800 PolarHBondContact OG-N 3.37Å; K798-L800 PolarHBondContact O-N 3.03Å; L800-Y805 HydrophobicContact CB-CE2 4.08Å; L800-Y805 HydrophobicContact CD1-CE2 4.24Å; L800-Y805 WeakPolarHBondContact CD1-OH 3.47Å
801	P	93	Very high	90.5	Very high	81 Å²	81	63.6 Å²	63.6	53%	0.526	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-59.4	137.7	175.1	-22.8	33.8	0	0	0	112.2	D803 Y805	P801-D803 VanDerWaalsContact C-N 3.31Å; P801-D803 PolarHBondContact O-N 3.45Å; P801-Y805 WeakPolarHBondContact O-CD2 3.46Å
802	Y	92.3	Very high	90.3	Very high	60 Å²	60	67.2 Å²	67.2	24%	0.235	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-62.7	-34.9	-177.8	-54.2	-48.4	0	0	0	113.3	Q733 I769 L785 W789 N804 Y805 D806	Q733-Y802 PolarHBondContact OE1-OH 2.83Å; I769-Y802 HydrophobicContact CD1-CE1 4.03Å; L785-Y802 HydrophobicContact CD1-CD1 3.58Å; L785-Y802 HydrophobicContact CD1-CE1 4.11Å; L785-Y802 HydrophobicContact CD1-CG 4.43Å; L785-Y802 HydrophobicContact CD2-CD1 4.27Å; L785-Y802 HydrophobicContact CD2-CG 4.37Å; W789-Y802 AromaticContact CE2-CE1 3.95Å; W789-Y802 HydrophobicContact CH2-CE1 4.38Å; W789-Y802 HydrophobicContact CZ2-CD1 4.17Å; W789-Y802 AromaticContact CZ2-CE1 3.63Å; W789-Y802 HydrophobicContact CZ2-CE1 3.63Å; W789-Y802 AromaticContact NE1-CD1 3.79Å; Y802-N804 PolarHBondContact O-N 3.39Å; Y802-Y805 CarbonylContact O-C 3.58Å; Y802-Y805 WeakPolarHBondContact O-CA 3.49Å; Y802-Y805 PolarHBondContact O-N 2.72Å; Y802-D806 PolarHBondContact O-N 2.91Å
803	D	89.9	Confident	90.1	Very high	119 Å²	119	69.3 Å²	69.3	64%	0.636	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-60.1	-19.2	-166.8	-41.2	-34.6	0	0	0	115	R783 P801 D806	R783-D803 IonicContact NH1-OD1 3.09Å; P801-D803 VanDerWaalsContact C-N 3.31Å; P801-D803 PolarHBondContact O-N 3.45Å; D803-D806 WeakPolarHBondContact CA-OD2 3.46Å
804	N	90.4	Very high	89.8	Confident	135 Å²	135	73.9 Å²	73.9	72%	0.722	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-87.9	-8.4	175.1	-68.8	-40.7	0	0	0	113.6	Y802	Y802-N804 PolarHBondContact O-N 3.39Å
805	Y	92.2	Very high	89.5	Confident	38 Å²	38	79.1 Å²	79.1	15%	0.149	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-8.5	-170.1	-58.8	-85.8	0	0	0	113.9	L785 S786 Q788 W789 D792 L800 P801 Y802 L807	L785-Y805 CarbonylContact C-O 3.29Å; L785-Y805 WeakPolarHBondContact CA-O 3.4Å; S786-Y805 PolarHBondContact N-O 3.28Å; Q788-Y805 HydrophobicContact CB-CD1 4.05Å; Q788-Y805 HydrophobicContact CB-CE1 3.95Å; W789-Y805 HydrophobicContact CB-CD1 3.91Å; W789-Y805 HydrophobicContact CB-CD2 4.16Å; W789-Y805 HydrophobicContact CB-CG 3.71Å; W789-Y805 AromaticContact CD1-CD2 3.69Å; W789-Y805 HydrophobicContact CG-CD2 4.33Å; W789-Y805 HydrophobicContact CG-CG 4.33Å; D792-Y805 HydrophobicContact CB-CE1 4.46Å; D792-Y805 WeakPolarHBondContact CB-OH 3.35Å; D792-Y805 VanDerWaalsContact OD2-CE1 3.27Å; D792-Y805 WeakPolarHBondContact OD2-CE1 3.17Å; D792-Y805 PolarHBondContact OD2-OH 2.75Å; L800-Y805 HydrophobicContact CB-CE2 4.08Å; L800-Y805 HydrophobicContact CD1-CE2 4.24Å; L800-Y805 WeakPolarHBondContact CD1-OH 3.47Å; P801-Y805 WeakPolarHBondContact O-CD2 3.46Å; Y802-Y805 CarbonylContact O-C 3.58Å; Y802-Y805 WeakPolarHBondContact O-CA 3.49Å; Y802-Y805 PolarHBondContact O-N 2.72Å; Y805-L807 PolarHBondContact O-N 3.45Å
806	D	89.7	Confident	89.3	Confident	56 Å²	56	83.8 Å²	83.8	30%	0.299	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-52.6	134.9	171.9	-68.5	-50.4	0	0	0	109.9	R783 I784 L785 Y802 D803	R783-D806 IonicContact NH1-OD1 2.82Å; R783-D806 PolarHBondContact NH1-OD1 3.31Å; R783-D806 VanDerWaalsContact NH1-OD1 3.12Å; R783-D806 IonicContact NH1-OD2 2.77Å; R783-D806 PolarHBondContact NH1-OD2 3.3Å; I784-D806 CarbonylContact O-C 3.56Å; I784-D806 WeakPolarHBondContact O-CA 3.37Å; L785-D806 WeakPolarHBondContact CD2-OD1 3.07Å; Y802-D806 PolarHBondContact O-N 2.91Å; D803-D806 WeakPolarHBondContact CA-OD2 3.46Å
807	L	84.7	Confident	89.3	Confident	70 Å²	70	83.4 Å²	83.4	37%	0.366	42%	0.419	S	S	.	.			trans	-106.6	21.9	-177.3	-74.5	-179.2	0	0	0	113	K773 I784 Y805	K773-L807 HydrophobicContact CG-CD1 4.07Å; I784-L807 HydrophobicContact CG2-CB 4.09Å; I784-L807 HydrophobicContact CG2-CD1 4.44Å; I784-L807 PolarHBondContact O-N 3.31Å; Y805-L807 PolarHBondContact O-N 3.45Å
808	E	70.3	Confident	89.2	Confident	156 Å²	156	87.9 Å²	87.9	73%	0.729	44%	0.441	S	S	*	.			trans	-101.1	0	-171.6	-56.6	-170.9	-150	0	0	113.1	R778 I784	R778-E808 IonicContact CZ-OE1 2.68Å; R778-E808 IonicContact CZ-OE2 3.73Å; R778-E808 VanDerWaalsContact CZ-OE2 3.31Å; R778-E808 IonicContact NH1-OE1 3.85Å; R778-E808 PolarHBondContact NH1-OE1 2.68Å; R778-E808 IonicContact NH1-OE2 2.72Å; R778-E808 PolarHBondContact NH1-OE2 3.02Å; R778-E808 IonicContact NH2-OE1 2.66Å; R778-E808 IonicContact NH2-OE2 3.85Å; R778-E808 PolarHBondContact NH2-OE2 2.56Å; I784-E808 HydrophobicContact CB-CG 4.14Å; I784-E808 PolarHBondContact N-OE1 2.66Å

Retrieved 808 of 808 residues in 948.6 ms (Link to these results)

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