A0A5K4F4B7_SCHMA Loading...

PDZ domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F4B7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,139 aa.

						>A0A5K4F4B7_SCHMA|A0A5K4F4B7
MDFEIVRSSVLKLVQESKSKGNFSLNRLAEHVYSMLQSELLVRCYDIANIVNRPSILDELDSFIPYANISEVQTGLPPFSMDQLKKRISGLNLPYGTGIFTIQLPDYQPRFGYRRSGIVLRQAVIKGEVENLFVSGVEHGSPASNAMDLQMGDRIYSISGYPLDWHTLEQLRYKLIELDGLAPNSNIYDLANYLLNRPYQNTGISHDHNYNKNSSVFEIPSEQTNLTNFKPPVLVIFRYPKSNSLWSNQISNDETKELQVIENNSSFSCYETVLENEGNNNGLGLQIGSNQENTGIYIVSIFKNSQAERDGVLREGDRVTEVNYQNLEGLDTKQALKKVKSICRNTKYVQIKCSRNIQTNNNNSDLISSCNDKKKQFDDSNIPDPILNNEDINDIDNEKKSVLTRTSTPTMNNSETSIYDSQDDSVLFYNCKFNKPDDERMNKMDSNDKSLLEKWLDVFNPDVELLLVYYDIKNSNCGLGIGFGDTVGDEEIFGENQHHHYITEINPEGPIGKEGTLSIGDDLLEINNVVIVNKDHLEISSIFPTIPSEGYLICARYPNESSLIDVKEENENDESALANVVPFIRTPSDDEIPNVDFSGQISDDNLLSETNSGIKNNKNLAPLNNEEGIDQRSGSDIDESQYPVRLLTVTESVLQNQSSNSGFRTEDIQTDKMITEDIQPEIDKNNLIMSDQKSIESTVISSPQRLPMAVKLVKSMEKLPLHTTSPKVSSLISENNNSNHNDLIQSNEIINQNDDNDVLTVKVLKKAGEILGLELELESGDERGIKLAHITPGSPVDRLKYWNQYKSMDCIQSDSDYSKLSENYCINGDHLRIPTAGDRILSVSDYSFQNMSAFTALRLLRKLISYSGFIKTVKEYLINESNSIYSSMDTSYENEKLILKNELSNVKQKVDQFNKFAYNQMVKSHSSIPIIKLNNNEFPWINERIYLRPMNKIFNHWNSNEQLNSKSIGLPNITNLSNINNQHNHEGVIDSNYDSLSVKGIFKHIDHKSNKLKSNLPTDKQSKYHETKREQSFTISNHQNGSVKYSSQIEHNQLLINKKVGNQKEDNNNNNNRTANEFINNKIVRNCNLLYEQFTINIYRNSNENLGFSVSLEYIISEMQVHPADEFQIGRNVRPGFHC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.6	Low	79	Confident	206 Å²	206	75.6 Å²	75.6	100%	1.015	40%	0.399	S	S	*	.				0	128.4	0	-164.4	-168.1	-58.4	0	0	106.7	F3 V6 Y45	M1-F3 PolarHBondContact O-N 3.14Å; M1-V6 HydrophobicContact CG-CG2 4.19Å; M1-V6 HydrophobicContact SD-CG2 3.91Å; M1-Y45 PolarHBondContact O-OH 3.08Å
2	D	70	Confident	79.8	Confident	81 Å²	81	80.2 Å²	80.2	43%	0.433	41%	0.412	S	S	.	.			trans	-85.2	114.4	-174.5	-173.2	-12.7	0	0	0	111.3	E4 I5 V6	D2-E4 VanDerWaalsContact C-N 3.31Å; D2-E4 PolarHBondContact O-N 2.82Å; D2-E4 PolarHBondContact OD1-N 3.48Å; D2-E4 VanDerWaalsContact OD1-N 3.09Å; D2-I5 HydrophobicContact CB-CB 4.21Å; D2-I5 HydrophobicContact CB-CD1 3.87Å; D2-I5 HydrophobicContact CB-CG1 3.91Å; D2-I5 PolarHBondContact O-N 3.02Å; D2-V6 PolarHBondContact O-N 3.21Å; D2-V6 VanDerWaalsContact O-N 3.15Å
3	F	75.6	Confident	80.3	Confident	22 Å²	22	80.2 Å²	80.2	10%	0.096	41%	0.413	C	S	.	.	H	α-helix	trans	-58.9	-36.8	-177.6	-172.6	-96.3	0	0	0	113.3	M1 V6 R7 L36 L41 V42 Y45	M1-F3 PolarHBondContact O-N 3.14Å; F3-V6 PolarHBondContact O-N 2.77Å; F3-R7 VanDerWaalsContact O-CB 3.24Å; F3-R7 WeakPolarHBondContact O-CB 3.31Å; F3-R7 PolarHBondContact O-N 3.49Å; F3-L36 HydrophobicContact CD2-CD2 4.43Å; F3-L36 HydrophobicContact CE2-CD2 3.83Å; F3-L36 HydrophobicContact CZ-CD2 4.22Å; F3-L36 WeakPolarHBondContact CZ-O 3.38Å; F3-L41 HydrophobicContact CE2-CD2 3.98Å; F3-L41 HydrophobicContact CE2-CG 4.07Å; F3-L41 HydrophobicContact CZ-CD2 4.47Å; F3-V42 HydrophobicContact CE1-CG2 4.1Å; F3-V42 HydrophobicContact CZ-CG2 4.04Å; F3-Y45 HydrophobicContact CB-CD1 3.67Å; F3-Y45 HydrophobicContact CB-CD2 4.09Å; F3-Y45 HydrophobicContact CB-CE1 3.31Å; F3-Y45 HydrophobicContact CB-CE2 3.76Å; F3-Y45 HydrophobicContact CB-CG 4.04Å; F3-Y45 HydrophobicContact CD1-CD1 4.43Å; F3-Y45 HydrophobicContact CD2-CD1 4.41Å; F3-Y45 HydrophobicContact CD2-CD2 4.39Å; F3-Y45 HydrophobicContact CD2-CG 4.17Å; F3-Y45 AromaticContact CG-CD1 3.97Å; F3-Y45 HydrophobicContact CG-CD1 3.97Å; F3-Y45 HydrophobicContact CG-CE1 4.1Å; F3-Y45 HydrophobicContact CG-CG 4.18Å; F3-Y45 PolarHBondContact N-OH 2.88Å
4	E	75.1	Confident	80.8	Confident	90 Å²	90	75.5 Å²	75.5	42%	0.421	39%	0.39	S	S	.	.	H	α-helix	trans	-74.6	-27.2	-179.7	-76.2	-61.1	149	0	0	112.3	D2 R7 S8	D2-E4 VanDerWaalsContact C-N 3.31Å; D2-E4 PolarHBondContact O-N 2.82Å; D2-E4 PolarHBondContact OD1-N 3.48Å; D2-E4 VanDerWaalsContact OD1-N 3.09Å; E4-R7 WeakPolarHBondContact OE1-CD 2.96Å; E4-R7 IonicContact OE1-CZ 2.72Å; E4-R7 IonicContact OE1-NH1 3.22Å; E4-R7 PolarHBondContact OE1-NH1 3.37Å; E4-R7 WeakPolarHBondContact OE2-CD 3.37Å; E4-R7 IonicContact OE2-NH1 2.68Å; E4-S8 WeakPolarHBondContact O-CB 3.48Å; E4-S8 PolarHBondContact O-N 2.68Å; E4-S8 PolarHBondContact O-OG 2.76Å
5	I	81	Confident	81.3	Confident	105 Å²	105	78.3 Å²	78.3	54%	0.538	40%	0.401	S	S	.	.	H	α-helix	trans	-69	-43.6	170.3	-61.1	-177.7	0	0	0	110.4	D2 S8 S9	D2-I5 HydrophobicContact CB-CB 4.21Å; D2-I5 HydrophobicContact CB-CD1 3.87Å; D2-I5 HydrophobicContact CB-CG1 3.91Å; D2-I5 PolarHBondContact O-N 3.02Å; I5-S8 PolarHBondContact O-N 2.9Å; I5-S9 WeakPolarHBondContact O-CB 3.46Å; I5-S9 PolarHBondContact O-N 2.98Å; I5-S9 PolarHBondContact O-OG 2.82Å
6	V	81.6	Confident	81.7	Confident	47 Å²	47	79.4 Å²	79.4	29%	0.285	40%	0.404	S	S	.	.	H	α-helix	trans	-62.3	-49.7	176.2	177.1	0	0	0	0	110.5	M1 D2 F3 S8 S9 V10 L36	M1-V6 HydrophobicContact CG-CG2 4.19Å; M1-V6 HydrophobicContact SD-CG2 3.91Å; D2-V6 PolarHBondContact O-N 3.21Å; D2-V6 VanDerWaalsContact O-N 3.15Å; F3-V6 PolarHBondContact O-N 2.77Å; V6-S8 PolarHBondContact O-N 2.77Å; V6-S9 PolarHBondContact O-N 2.87Å; V6-S9 VanDerWaalsContact O-N 3.14Å; V6-V10 WeakPolarHBondContact O-CG2 3.43Å; V6-V10 PolarHBondContact O-N 3.47Å; V6-L36 HydrophobicContact CG1-CD1 4.02Å; V6-L36 HydrophobicContact CG1-CD2 4.22Å
7	R	83.3	Confident	81.9	Confident	72 Å²	72	74.8 Å²	74.8	27%	0.272	38%	0.38	S	S	.	.	H	α-helix	trans	-56.3	-46.4	176.7	-168.7	-174.2	-164.1	176	5.1	112.3	F3 E4 S9 L11 Y33	F3-R7 VanDerWaalsContact O-CB 3.24Å; F3-R7 WeakPolarHBondContact O-CB 3.31Å; F3-R7 PolarHBondContact O-N 3.49Å; E4-R7 WeakPolarHBondContact OE1-CD 2.96Å; E4-R7 IonicContact OE1-CZ 2.72Å; E4-R7 IonicContact OE1-NH1 3.22Å; E4-R7 PolarHBondContact OE1-NH1 3.37Å; E4-R7 WeakPolarHBondContact OE2-CD 3.37Å; E4-R7 IonicContact OE2-NH1 2.68Å; R7-S9 VanDerWaalsContact C-N 3.33Å; R7-S9 PolarHBondContact O-N 3Å; R7-L11 WeakPolarHBondContact O-CB 3.3Å; R7-L11 PolarHBondContact O-N 3.26Å; R7-Y33 HydrophobicContact CG-CE2 4.32Å
8	S	85.7	Confident	81.9	Confident	59 Å²	59	78.4 Å²	78.4	41%	0.413	39%	0.393	S	S	.	.	H	α-helix	trans	-65.3	-35	177.3	-64	0	0	0	0	112.9	E4 I5 V6 K12	E4-S8 WeakPolarHBondContact O-CB 3.48Å; E4-S8 PolarHBondContact O-N 2.68Å; E4-S8 PolarHBondContact O-OG 2.76Å; I5-S8 PolarHBondContact O-N 2.9Å; V6-S8 PolarHBondContact O-N 2.77Å; S8-K12 WeakPolarHBondContact O-CG 3.45Å; S8-K12 PolarHBondContact O-N 2.86Å
9	S	87	Confident	82	Confident	60 Å²	60	79.4 Å²	79.4	42%	0.42	41%	0.408	S	S	.	.	H	α-helix	trans	-72	-42.5	179.3	-58.5	0	0	0	0	111.6	I5 V6 R7 K12 L13	I5-S9 WeakPolarHBondContact O-CB 3.46Å; I5-S9 PolarHBondContact O-N 2.98Å; I5-S9 PolarHBondContact O-OG 2.82Å; V6-S9 PolarHBondContact O-N 2.87Å; V6-S9 VanDerWaalsContact O-N 3.14Å; R7-S9 VanDerWaalsContact C-N 3.33Å; R7-S9 PolarHBondContact O-N 3Å; S9-K12 PolarHBondContact O-N 3.43Å; S9-L13 PolarHBondContact O-N 3.24Å; S9-L13 VanDerWaalsContact O-N 3.12Å
10	V	86.6	Confident	82	Confident	25 Å²	25	82.6 Å²	82.6	15%	0.152	42%	0.419	C	S	.	.	H	α-helix	trans	-66.2	-38.3	174.5	178	0	0	0	0	111.2	V6 K12 L13 V14 V32 Y33 L36	V6-V10 WeakPolarHBondContact O-CG2 3.43Å; V6-V10 PolarHBondContact O-N 3.47Å; V10-K12 PolarHBondContact O-N 3.31Å; V10-L13 PolarHBondContact O-N 3.31Å; V10-L13 VanDerWaalsContact O-N 3.08Å; V10-V14 WeakPolarHBondContact O-CG2 3.49Å; V10-V14 PolarHBondContact O-N 3.48Å; V10-V32 HydrophobicContact CG1-CB 4.23Å; V10-V32 HydrophobicContact CG1-CG1 4.05Å; V10-V32 HydrophobicContact CG2-CG1 3.99Å; V10-Y33 HydrophobicContact CG1-CD2 4.37Å; V10-L36 HydrophobicContact CB-CD1 4.02Å; V10-L36 HydrophobicContact CG1-CD1 4.37Å; V10-L36 HydrophobicContact CG2-CD1 3.71Å
11	L	88.5	Confident	81.9	Confident	65 Å²	65	80.8 Å²	80.8	34%	0.34	42%	0.421	S	S	.	.	H	α-helix	trans	-57.6	-45.1	173.4	-173.2	93.1	0	0	0	112.2	R7 L13 V14 Q15 Y33	R7-L11 WeakPolarHBondContact O-CB 3.3Å; R7-L11 PolarHBondContact O-N 3.26Å; L11-L13 VanDerWaalsContact C-N 3.28Å; L11-L13 PolarHBondContact O-N 3.18Å; L11-V14 PolarHBondContact O-N 2.91Å; L11-Q15 WeakPolarHBondContact O-CG 3.24Å; L11-Q15 PolarHBondContact O-N 3Å; L11-Y33 HydrophobicContact CB-CE2 4.16Å; L11-Y33 HydrophobicContact CD1-CE1 4.19Å; L11-Y33 HydrophobicContact CD1-CE2 3.71Å; L11-Y33 VanDerWaalsContact CD1-CZ 3.5Å; L11-Y33 WeakPolarHBondContact CD1-OH 3.21Å
12	K	89	Confident	83.1	Confident	130 Å²	130	74.3 Å²	74.3	57%	0.565	39%	0.39	S	S	*	.	H	α-helix	trans	-59.4	-40.8	174.1	-72.5	175.5	-179.3	178.6	0	111.4	S8 S9 V10 Q15 E16	S8-K12 WeakPolarHBondContact O-CG 3.45Å; S8-K12 PolarHBondContact O-N 2.86Å; S9-K12 PolarHBondContact O-N 3.43Å; V10-K12 PolarHBondContact O-N 3.31Å; K12-Q15 WeakPolarHBondContact O-CB 3.4Å; K12-Q15 PolarHBondContact O-N 3.01Å; K12-Q15 VanDerWaalsContact O-N 3.15Å; K12-E16 PolarHBondContact O-N 3.13Å
13	L	86.5	Confident	83.4	Confident	80 Å²	80	78.9 Å²	78.9	42%	0.419	41%	0.407	S	S	.	.	H	α-helix	trans	-69.7	-33.1	-179.1	-157.6	144.2	0	0	0	112.6	S9 V10 L11 S17 L25 A29	S9-L13 PolarHBondContact O-N 3.24Å; S9-L13 VanDerWaalsContact O-N 3.12Å; V10-L13 PolarHBondContact O-N 3.31Å; V10-L13 VanDerWaalsContact O-N 3.08Å; L11-L13 VanDerWaalsContact C-N 3.28Å; L11-L13 PolarHBondContact O-N 3.18Å; L13-S17 VanDerWaalsContact O-CB 3.24Å; L13-S17 WeakPolarHBondContact O-CB 3.35Å; L13-S17 PolarHBondContact O-N 2.8Å; L13-S17 PolarHBondContact O-OG 3.18Å; L13-L25 HydrophobicContact CD2-CD1 4.01Å; L13-L25 HydrophobicContact CD2-CD2 4.43Å; L13-L25 HydrophobicContact CD2-CG 4.01Å; L13-A29 HydrophobicContact CD2-CB 3.63Å
14	V	87.2	Confident	83.5	Confident	15 Å²	15	82 Å²	82	9%	0.091	43%	0.432	C	S	.	.	H	α-helix	trans	-62	-46.5	166.2	175.1	0	0	0	0	110.7	V10 L11 S17 K18 A29 E30	V10-V14 WeakPolarHBondContact O-CG2 3.49Å; V10-V14 PolarHBondContact O-N 3.48Å; L11-V14 PolarHBondContact O-N 2.91Å; V14-S17 PolarHBondContact O-OG 2.87Å; V14-S17 VanDerWaalsContact O-OG 3.08Å; V14-K18 WeakPolarHBondContact O-CB 3.42Å; V14-K18 PolarHBondContact O-N 2.79Å; V14-K18 VanDerWaalsContact O-N 3.1Å; V14-A29 HydrophobicContact CB-CB 4.42Å; V14-A29 HydrophobicContact CG2-CB 3.58Å; V14-E30 HydrophobicContact CG1-CG 4.32Å
15	Q	88.3	Confident	83.6	Confident	118 Å²	118	81 Å²	81	55%	0.551	43%	0.429	S	S	*	.	H	α-helix	trans	-64.1	-42.9	179.6	-69	173.5	0.5	0	0	112.6	L11 K12 S19	L11-Q15 WeakPolarHBondContact O-CG 3.24Å; L11-Q15 PolarHBondContact O-N 3Å; K12-Q15 WeakPolarHBondContact O-CB 3.4Å; K12-Q15 PolarHBondContact O-N 3.01Å; K12-Q15 VanDerWaalsContact O-N 3.15Å; Q15-S19 PolarHBondContact O-N 3.39Å; Q15-S19 PolarHBondContact O-OG 3.04Å
16	E	86.5	Confident	83.8	Confident	96 Å²	96	77.5 Å²	77.5	45%	0.449	41%	0.411	S	S	.	.	H	α-helix	trans	-71.3	-40.9	178.3	-78.5	-166.8	-134.7	0	0	113.5	K12 K18 S19 K20	K12-E16 PolarHBondContact O-N 3.13Å; E16-K18 VanDerWaalsContact C-N 3.27Å; E16-K18 PolarHBondContact O-N 2.86Å; E16-S19 PolarHBondContact O-N 3.28Å; E16-S19 PolarHBondContact O-OG 3.25Å; E16-S19 VanDerWaalsContact O-OG 3.09Å; E16-K20 VanDerWaalsContact O-CB 3.26Å; E16-K20 WeakPolarHBondContact O-CB 3.5Å; E16-K20 VanDerWaalsContact O-CG 3.24Å; E16-K20 WeakPolarHBondContact O-CG 3.43Å; E16-K20 PolarHBondContact O-N 3.01Å; E16-K20 WeakPolarHBondContact OE2-CE 3.43Å; E16-K20 IonicContact OE2-NZ 2.93Å; E16-K20 PolarHBondContact OE2-NZ 3.07Å
17	S	85.3	Confident	83.6	Confident	1 Å²	1	85.2 Å²	85.2	1%	0.007	44%	0.435	C	S	.	.	H	α-helix	trans	-65.7	-34.4	177.3	56.9	0	0	0	0	111.9	L13 V14 G21 N22 N26	L13-S17 VanDerWaalsContact O-CB 3.24Å; L13-S17 WeakPolarHBondContact O-CB 3.35Å; L13-S17 PolarHBondContact O-N 2.8Å; L13-S17 PolarHBondContact O-OG 3.18Å; V14-S17 PolarHBondContact O-OG 2.87Å; V14-S17 VanDerWaalsContact O-OG 3.08Å; S17-G21 PolarHBondContact O-N 3.37Å; S17-N22 PolarHBondContact O-N 2.69Å; S17-N26 VanDerWaalsContact OG-CA 3.26Å; S17-N26 WeakPolarHBondContact OG-CA 3.26Å
18	K	83.1	Confident	83.5	Confident	139 Å²	139	87.1 Å²	87.1	60%	0.604	45%	0.45	S	S	*	.	H	α-helix	trans	-70.2	-36.7	173.7	-167.2	168.8	-170	162.8	0	113.2	V14 E16	V14-K18 WeakPolarHBondContact O-CB 3.42Å; V14-K18 PolarHBondContact O-N 2.79Å; V14-K18 VanDerWaalsContact O-N 3.1Å; E16-K18 VanDerWaalsContact C-N 3.27Å; E16-K18 PolarHBondContact O-N 2.86Å
19	S	84	Confident	83.5	Confident	97 Å²	97	84.4 Å²	84.4	68%	0.678	43%	0.431	S	S	*	.	H	α-helix	trans	-77.9	-32.6	175.5	67.6	0	0	0	0	113.3	Q15 E16 G21	Q15-S19 PolarHBondContact O-N 3.39Å; Q15-S19 PolarHBondContact O-OG 3.04Å; E16-S19 PolarHBondContact O-N 3.28Å; E16-S19 PolarHBondContact O-OG 3.25Å; E16-S19 VanDerWaalsContact O-OG 3.09Å; S19-G21 VanDerWaalsContact C-N 3.26Å; S19-G21 PolarHBondContact O-N 3.19Å
20	K	82	Confident	83.4	Confident	143 Å²	143	85.9 Å²	85.9	62%	0.622	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	2.3	175.2	-64.8	171.2	-172.7	173	0	113.8	E16 N22	E16-K20 VanDerWaalsContact O-CB 3.26Å; E16-K20 WeakPolarHBondContact O-CB 3.5Å; E16-K20 VanDerWaalsContact O-CG 3.24Å; E16-K20 WeakPolarHBondContact O-CG 3.43Å; E16-K20 PolarHBondContact O-N 3.01Å; E16-K20 WeakPolarHBondContact OE2-CE 3.43Å; E16-K20 IonicContact OE2-NZ 2.93Å; E16-K20 PolarHBondContact OE2-NZ 3.07Å; K20-N22 PolarHBondContact O-N 2.76Å; K20-N22 VanDerWaalsContact O-N 3.16Å
21	G	78.2	Confident	83.2	Confident	46 Å²	46	90.4 Å²	90.4	47%	0.474	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	13.4	178	0	0	0	0	0	115.4	S17 S19 F23	S17-G21 PolarHBondContact O-N 3.37Å; S19-G21 VanDerWaalsContact C-N 3.26Å; S19-G21 PolarHBondContact O-N 3.19Å; G21-F23 VanDerWaalsContact O-CD2 3.27Å; G21-F23 WeakPolarHBondContact O-CD2 3.44Å; G21-F23 PolarHBondContact O-N 2.81Å; G21-F23 VanDerWaalsContact O-N 3.12Å
22	N	81	Confident	83.1	Confident	69 Å²	69	90 Å²	90	37%	0.369	45%	0.451	S	S	.	.			trans	-86.3	88.8	-174	-172.3	-17.7	0	0	0	110.9	S17 K20 S24 L25 N26	S17-N22 PolarHBondContact O-N 2.69Å; K20-N22 PolarHBondContact O-N 2.76Å; K20-N22 VanDerWaalsContact O-N 3.16Å; N22-S24 VanDerWaalsContact C-N 3.25Å; N22-S24 PolarHBondContact O-N 2.62Å; N22-S24 PolarHBondContact OD1-N 3.41Å; N22-S24 PolarHBondContact OD1-OG 3.11Å; N22-L25 HydrophobicContact CB-CB 4.1Å; N22-L25 PolarHBondContact O-N 2.83Å; N22-L25 PolarHBondContact OD1-N 2.8Å; N22-N26 VanDerWaalsContact O-CB 3.31Å; N22-N26 WeakPolarHBondContact O-CB 3.4Å; N22-N26 PolarHBondContact O-N 2.79Å
23	F	76.9	Confident	83	Confident	177 Å²	177	86.1 Å²	86.1	78%	0.776	43%	0.433	S	S	*	.	H	α-helix	trans	-55.6	-33.7	-178.8	-68.1	-84.7	0	0	0	114.5	G21 R27	G21-F23 VanDerWaalsContact O-CD2 3.27Å; G21-F23 WeakPolarHBondContact O-CD2 3.44Å; G21-F23 PolarHBondContact O-N 2.81Å; G21-F23 VanDerWaalsContact O-N 3.12Å; F23-R27 VanDerWaalsContact O-CB 3.31Å; F23-R27 WeakPolarHBondContact O-CB 3.37Å; F23-R27 PolarHBondContact O-N 2.59Å
24	S	75.8	Confident	82.9	Confident	89 Å²	89	86 Å²	86	62%	0.622	44%	0.438	S	S	*	.	H	α-helix	trans	-70.7	-48.1	-180	68.6	0	0	0	0	111.7	N22 R27 L28	N22-S24 VanDerWaalsContact C-N 3.25Å; N22-S24 PolarHBondContact O-N 2.62Å; N22-S24 PolarHBondContact OD1-N 3.41Å; N22-S24 PolarHBondContact OD1-OG 3.11Å; S24-R27 PolarHBondContact O-N 3.15Å; S24-L28 PolarHBondContact O-N 2.88Å
25	L	79.2	Confident	82.5	Confident	68 Å²	68	90.4 Å²	90.4	36%	0.356	46%	0.459	S	S	.	.	H	α-helix	trans	-64.4	-42.1	176.5	-171.1	67.3	0	0	0	111.1	L13 N22 L28 A29	L13-L25 HydrophobicContact CD2-CD1 4.01Å; L13-L25 HydrophobicContact CD2-CD2 4.43Å; L13-L25 HydrophobicContact CD2-CG 4.01Å; N22-L25 HydrophobicContact CB-CB 4.1Å; N22-L25 PolarHBondContact O-N 2.83Å; N22-L25 PolarHBondContact OD1-N 2.8Å; L25-L28 PolarHBondContact O-N 3.39Å; L25-A29 VanDerWaalsContact O-CB 3.28Å; L25-A29 WeakPolarHBondContact O-CB 3.39Å; L25-A29 PolarHBondContact O-N 3.38Å
26	N	83.9	Confident	82.2	Confident	32 Å²	32	85.6 Å²	85.6	17%	0.171	44%	0.438	C	S	.	.	H	α-helix	trans	-62.7	-46.1	178.3	-173.3	26.8	0	0	0	111.8	S17 N22 L28 A29 E30	S17-N26 VanDerWaalsContact OG-CA 3.26Å; S17-N26 WeakPolarHBondContact OG-CA 3.26Å; N22-N26 VanDerWaalsContact O-CB 3.31Å; N22-N26 WeakPolarHBondContact O-CB 3.4Å; N22-N26 PolarHBondContact O-N 2.79Å; N26-L28 VanDerWaalsContact C-N 3.29Å; N26-L28 PolarHBondContact O-N 2.84Å; N26-A29 PolarHBondContact O-N 2.61Å; N26-E30 WeakPolarHBondContact O-CB 3.49Å; N26-E30 VanDerWaalsContact O-CG 3.3Å; N26-E30 WeakPolarHBondContact O-CG 3.46Å; N26-E30 PolarHBondContact O-N 2.83Å
27	R	78.2	Confident	81.9	Confident	208 Å²	208	85.8 Å²	85.8	79%	0.785	44%	0.439	S	S	*	.	H	α-helix	trans	-60.8	-37.3	176.8	-178.9	177.4	175.4	-178.8	-1.2	112.7	F23 S24 H31	F23-R27 VanDerWaalsContact O-CB 3.31Å; F23-R27 WeakPolarHBondContact O-CB 3.37Å; F23-R27 PolarHBondContact O-N 2.59Å; S24-R27 PolarHBondContact O-N 3.15Å; R27-H31 PolarHBondContact O-N 2.79Å
28	L	81.1	Confident	81.7	Confident	113 Å²	113	87.9 Å²	87.9	59%	0.592	45%	0.453	S	S	*	.	H	α-helix	trans	-73.3	-42.9	177.4	-167.6	151.1	0	0	0	111.1	S24 L25 N26 H31 V32	S24-L28 PolarHBondContact O-N 2.88Å; L25-L28 PolarHBondContact O-N 3.39Å; N26-L28 VanDerWaalsContact C-N 3.29Å; N26-L28 PolarHBondContact O-N 2.84Å; L28-H31 PolarHBondContact O-N 3Å; L28-V32 HydrophobicContact CD2-CG2 4.09Å; L28-V32 WeakPolarHBondContact O-CG2 3.48Å; L28-V32 PolarHBondContact O-N 2.6Å
29	A	85.3	Confident	81.4	Confident	2 Å²	2	87.1 Å²	87.1	2%	0.017	45%	0.452	C	S	.	.	H	α-helix	trans	-63.2	-44	177.8	0	0	0	0	0	112.6	L13 V14 L25 N26 H31 V32 Y33	L13-A29 HydrophobicContact CD2-CB 3.63Å; V14-A29 HydrophobicContact CB-CB 4.42Å; V14-A29 HydrophobicContact CG2-CB 3.58Å; L25-A29 VanDerWaalsContact O-CB 3.28Å; L25-A29 WeakPolarHBondContact O-CB 3.39Å; L25-A29 PolarHBondContact O-N 3.38Å; N26-A29 PolarHBondContact O-N 2.61Å; A29-H31 VanDerWaalsContact C-N 3.3Å; A29-H31 PolarHBondContact O-N 3.21Å; A29-V32 PolarHBondContact O-N 2.79Å; A29-Y33 VanDerWaalsContact O-CB 3.25Å; A29-Y33 WeakPolarHBondContact O-CB 3.23Å; A29-Y33 PolarHBondContact O-N 2.96Å
30	E	84.8	Confident	81	Confident	90 Å²	90	89 Å²	89	42%	0.421	45%	0.454	S	S	.	.	H	α-helix	trans	-58.5	-40.4	172.8	-74.2	-93.7	174.8	0	0	111.4	V14 N26 Y33 S34	V14-E30 HydrophobicContact CG1-CG 4.32Å; N26-E30 WeakPolarHBondContact O-CB 3.49Å; N26-E30 VanDerWaalsContact O-CG 3.3Å; N26-E30 WeakPolarHBondContact O-CG 3.46Å; N26-E30 PolarHBondContact O-N 2.83Å; E30-Y33 PolarHBondContact O-N 3.12Å; E30-S34 WeakPolarHBondContact O-CB 3.27Å; E30-S34 PolarHBondContact O-N 2.87Å
31	H	83.4	Confident	80.7	Confident	120 Å²	120	85.6 Å²	85.6	56%	0.556	44%	0.441	S	S	*	.	H	α-helix	trans	-68.4	-44.6	179.2	-159	91.5	0	0	0	112.4	R27 L28 A29 Y33 S34 M35	R27-H31 PolarHBondContact O-N 2.79Å; L28-H31 PolarHBondContact O-N 3Å; A29-H31 VanDerWaalsContact C-N 3.3Å; A29-H31 PolarHBondContact O-N 3.21Å; H31-Y33 VanDerWaalsContact C-N 3.34Å; H31-S34 PolarHBondContact O-N 2.89Å; H31-M35 PolarHBondContact O-N 2.7Å
32	V	85.1	Confident	80.5	Confident	56 Å²	56	85.5 Å²	85.5	34%	0.339	43%	0.432	S	S	.	.	H	α-helix	trans	-65.3	-39.2	174.7	177.1	0	0	0	0	110.9	V10 L28 A29 S34 M35 L36	V10-V32 HydrophobicContact CG1-CB 4.23Å; V10-V32 HydrophobicContact CG1-CG1 4.05Å; V10-V32 HydrophobicContact CG2-CG1 3.99Å; L28-V32 HydrophobicContact CD2-CG2 4.09Å; L28-V32 WeakPolarHBondContact O-CG2 3.48Å; L28-V32 PolarHBondContact O-N 2.6Å; A29-V32 PolarHBondContact O-N 2.79Å; V32-S34 VanDerWaalsContact C-N 3.34Å; V32-S34 PolarHBondContact O-N 3.23Å; V32-M35 PolarHBondContact O-N 3.11Å; V32-L36 HydrophobicContact CG1-CD1 4.05Å; V32-L36 WeakPolarHBondContact O-CG 3.36Å; V32-L36 PolarHBondContact O-N 2.9Å
33	Y	88.2	Confident	80	Confident	50 Å²	50	88.9 Å²	88.9	20%	0.196	44%	0.439	C	S	.	.	H	α-helix	trans	-64.1	-39.1	175.5	-171.2	-115.8	0	0	0	112	R7 V10 L11 A29 E30 H31 L36 Q37	R7-Y33 HydrophobicContact CG-CE2 4.32Å; V10-Y33 HydrophobicContact CG1-CD2 4.37Å; L11-Y33 HydrophobicContact CB-CE2 4.16Å; L11-Y33 HydrophobicContact CD1-CE1 4.19Å; L11-Y33 HydrophobicContact CD1-CE2 3.71Å; L11-Y33 VanDerWaalsContact CD1-CZ 3.5Å; L11-Y33 WeakPolarHBondContact CD1-OH 3.21Å; A29-Y33 VanDerWaalsContact O-CB 3.25Å; A29-Y33 WeakPolarHBondContact O-CB 3.23Å; A29-Y33 PolarHBondContact O-N 2.96Å; E30-Y33 PolarHBondContact O-N 3.12Å; H31-Y33 VanDerWaalsContact C-N 3.34Å; Y33-L36 CarbonylContact O-C 3.6Å; Y33-L36 PolarHBondContact O-N 2.93Å; Y33-Q37 HydrophobicContact CE1-CG 4.33Å; Y33-Q37 WeakPolarHBondContact O-CG 3.21Å; Y33-Q37 PolarHBondContact O-N 2.82Å; Y33-Q37 PolarHBondContact OH-NE2 3.34Å
34	S	83	Confident	79.9	Confident	76 Å²	76	83.5 Å²	83.5	53%	0.531	42%	0.423	S	S	.	.	H	α-helix	trans	-63.4	-43.2	173.8	-177.4	0	0	0	0	112.2	E30 H31 V32 L36 Q37 S38	E30-S34 WeakPolarHBondContact O-CB 3.27Å; E30-S34 PolarHBondContact O-N 2.87Å; H31-S34 PolarHBondContact O-N 2.89Å; V32-S34 VanDerWaalsContact C-N 3.34Å; V32-S34 PolarHBondContact O-N 3.23Å; S34-L36 PolarHBondContact O-N 3.23Å; S34-Q37 PolarHBondContact O-N 3Å; S34-Q37 VanDerWaalsContact O-N 3.08Å; S34-S38 PolarHBondContact O-N 2.84Å
35	M	80.3	Confident	79.8	Confident	108 Å²	108	82.6 Å²	82.6	53%	0.532	41%	0.406	S	S	.	.	H	α-helix	trans	-60.2	-43.7	172.9	-73.3	179.7	163.1	0	0	112	H31 V32 Q37 S38	H31-M35 PolarHBondContact O-N 2.7Å; V32-M35 PolarHBondContact O-N 3.11Å; M35-Q37 PolarHBondContact O-N 2.74Å; M35-S38 WeakPolarHBondContact O-CB 3.27Å; M35-S38 PolarHBondContact O-N 2.75Å; M35-S38 VanDerWaalsContact O-N 3.09Å; M35-S38 PolarHBondContact O-OG 3.25Å
36	L	81.2	Confident	79.4	Confident	18 Å²	18	82.8 Å²	82.8	9%	0.094	41%	0.408	C	S	.	.	H	α-helix	trans	-68.6	-10.9	174.8	-69.3	169.9	0	0	0	114.2	F3 V6 V10 V32 Y33 S34 L41	F3-L36 HydrophobicContact CD2-CD2 4.43Å; F3-L36 HydrophobicContact CE2-CD2 3.83Å; F3-L36 HydrophobicContact CZ-CD2 4.22Å; F3-L36 WeakPolarHBondContact CZ-O 3.38Å; V6-L36 HydrophobicContact CG1-CD1 4.02Å; V6-L36 HydrophobicContact CG1-CD2 4.22Å; V10-L36 HydrophobicContact CB-CD1 4.02Å; V10-L36 HydrophobicContact CG1-CD1 4.37Å; V10-L36 HydrophobicContact CG2-CD1 3.71Å; V32-L36 HydrophobicContact CG1-CD1 4.05Å; V32-L36 WeakPolarHBondContact O-CG 3.36Å; V32-L36 PolarHBondContact O-N 2.9Å; Y33-L36 CarbonylContact O-C 3.6Å; Y33-L36 PolarHBondContact O-N 2.93Å; S34-L36 PolarHBondContact O-N 3.23Å; L36-L41 HydrophobicContact CD2-CD2 4.12Å
37	Q	79.2	Confident	78.9	Confident	100 Å²	100	86.2 Å²	86.2	47%	0.467	43%	0.425	S	S	.	.	H	α-helix	trans	-98	-7.2	170.2	-74.5	-163.1	-11.4	0	0	113.8	Y33 S34 M35 E39	Y33-Q37 HydrophobicContact CE1-CG 4.33Å; Y33-Q37 WeakPolarHBondContact O-CG 3.21Å; Y33-Q37 PolarHBondContact O-N 2.82Å; Y33-Q37 PolarHBondContact OH-NE2 3.34Å; S34-Q37 PolarHBondContact O-N 3Å; S34-Q37 VanDerWaalsContact O-N 3.08Å; M35-Q37 PolarHBondContact O-N 2.74Å; Q37-E39 PolarHBondContact O-N 2.86Å
38	S	82.9	Confident	78.5	Confident	44 Å²	44	78.2 Å²	78.2	31%	0.308	40%	0.404	S	S	.	.			trans	-63.9	130.4	-177.8	67.2	0	0	0	0	111.5	S34 M35 L40 L41 V42	S34-S38 PolarHBondContact O-N 2.84Å; M35-S38 WeakPolarHBondContact O-CB 3.27Å; M35-S38 PolarHBondContact O-N 2.75Å; M35-S38 VanDerWaalsContact O-N 3.09Å; M35-S38 PolarHBondContact O-OG 3.25Å; S38-L40 PolarHBondContact O-N 2.78Å; S38-L41 PolarHBondContact O-N 3.24Å; S38-L41 VanDerWaalsContact O-N 3.11Å; S38-L41 VanDerWaalsContact OG-CB 3.23Å; S38-L41 WeakPolarHBondContact OG-CB 3.41Å; S38-L41 PolarHBondContact OG-N 3.33Å; S38-V42 PolarHBondContact O-N 3.22Å; S38-V42 VanDerWaalsContact O-N 3.15Å
39	E	76.2	Confident	77.9	Confident	124 Å²	124	75.8 Å²	75.8	58%	0.579	39%	0.391	S	S	*	.	H	α-helix	trans	-59.4	-35.5	179.9	-174	172.8	178.5	0	0	110.7	Q37 L41 V42 R43	Q37-E39 PolarHBondContact O-N 2.86Å; E39-L41 PolarHBondContact O-N 3.08Å; E39-V42 PolarHBondContact O-N 3.12Å; E39-R43 HydrophobicContact CG-CG 3.97Å; E39-R43 WeakPolarHBondContact O-CB 3.43Å; E39-R43 WeakPolarHBondContact O-CG 3.38Å; E39-R43 PolarHBondContact O-N 3.34Å; E39-R43 IonicContact OE1-CZ 3.45Å; E39-R43 IonicContact OE1-NE 3.48Å; E39-R43 PolarHBondContact OE1-NE 3.36Å; E39-R43 IonicContact OE1-NH2 2.68Å; E39-R43 PolarHBondContact OE1-NH2 2.84Å
40	L	75.1	Confident	77	Confident	137 Å²	137	79.7 Å²	79.7	72%	0.717	41%	0.411	S	S	*	.	H	α-helix	trans	-54	-51.3	173.8	-172.1	77.3	0	0	0	112.3	S38 R43 C44	S38-L40 PolarHBondContact O-N 2.78Å; L40-R43 PolarHBondContact O-N 3.24Å; L40-C44 WeakPolarHBondContact O-CB 3.48Å; L40-C44 PolarHBondContact O-N 2.92Å; L40-C44 PolarHBondContact O-SG 3.37Å
41	L	75	Confident	75.9	Confident	70 Å²	70	79.2 Å²	79.2	37%	0.366	41%	0.414	S	S	.	.	H	α-helix	trans	-69.8	-37.8	-176.2	-172.1	66.5	0	0	0	111.7	F3 L36 S38 E39 C44 Y45	F3-L41 HydrophobicContact CE2-CD2 3.98Å; F3-L41 HydrophobicContact CE2-CG 4.07Å; F3-L41 HydrophobicContact CZ-CD2 4.47Å; L36-L41 HydrophobicContact CD2-CD2 4.12Å; S38-L41 PolarHBondContact O-N 3.24Å; S38-L41 VanDerWaalsContact O-N 3.11Å; S38-L41 VanDerWaalsContact OG-CB 3.23Å; S38-L41 WeakPolarHBondContact OG-CB 3.41Å; S38-L41 PolarHBondContact OG-N 3.33Å; E39-L41 PolarHBondContact O-N 3.08Å; L41-C44 PolarHBondContact O-N 3.45Å; L41-Y45 PolarHBondContact O-N 3.18Å
42	V	74.8	Confident	75	Confident	44 Å²	44	79.7 Å²	79.7	27%	0.267	42%	0.42	S	S	.	.	H	α-helix	trans	-60.7	-47.5	173.1	176.9	0	0	0	0	110.4	F3 S38 E39 C44 Y45 D46	F3-V42 HydrophobicContact CE1-CG2 4.1Å; F3-V42 HydrophobicContact CZ-CG2 4.04Å; S38-V42 PolarHBondContact O-N 3.22Å; S38-V42 VanDerWaalsContact O-N 3.15Å; E39-V42 PolarHBondContact O-N 3.12Å; V42-C44 VanDerWaalsContact C-N 3.33Å; V42-C44 PolarHBondContact O-N 3.45Å; V42-Y45 PolarHBondContact O-N 3.5Å; V42-D46 PolarHBondContact O-N 2.81Å
43	R	71.4	Confident	73.8	Confident	140 Å²	140	84.2 Å²	84.2	53%	0.528	43%	0.431	S	S	.	.	H	α-helix	trans	-63.1	-37.5	176.4	-64.9	-71.2	-173.1	168.9	4.7	112.3	E39 L40 D46 I47	E39-R43 HydrophobicContact CG-CG 3.97Å; E39-R43 WeakPolarHBondContact O-CB 3.43Å; E39-R43 WeakPolarHBondContact O-CG 3.38Å; E39-R43 PolarHBondContact O-N 3.34Å; E39-R43 IonicContact OE1-CZ 3.45Å; E39-R43 IonicContact OE1-NE 3.48Å; E39-R43 PolarHBondContact OE1-NE 3.36Å; E39-R43 IonicContact OE1-NH2 2.68Å; E39-R43 PolarHBondContact OE1-NH2 2.84Å; L40-R43 PolarHBondContact O-N 3.24Å; R43-D46 PolarHBondContact O-N 2.95Å; R43-I47 WeakPolarHBondContact O-CB 3Å; R43-I47 WeakPolarHBondContact O-CD1 3.25Å; R43-I47 WeakPolarHBondContact O-CG1 3.43Å; R43-I47 PolarHBondContact O-N 3.27Å
44	C	73	Confident	72.2	Confident	65 Å²	65	86.6 Å²	86.6	44%	0.439	45%	0.453	S	S	.	.	H	α-helix	trans	-65.9	-38.9	174.9	-68.3	0	0	0	0	111.8	L40 L41 V42 I47 A48	L40-C44 WeakPolarHBondContact O-CB 3.48Å; L40-C44 PolarHBondContact O-N 2.92Å; L40-C44 PolarHBondContact O-SG 3.37Å; L41-C44 PolarHBondContact O-N 3.45Å; V42-C44 VanDerWaalsContact C-N 3.33Å; V42-C44 PolarHBondContact O-N 3.45Å; C44-I47 PolarHBondContact O-N 3.09Å; C44-A48 WeakPolarHBondContact O-CB 3.5Å; C44-A48 PolarHBondContact O-N 3.31Å
45	Y	75.4	Confident	71	Confident	69 Å²	69	86 Å²	86	27%	0.271	45%	0.449	S	S	.	.	H	α-helix	trans	-68.4	-41.2	174	-175.7	-110.4	0	0	0	111.9	M1 F3 L41 V42 A48 N49	M1-Y45 PolarHBondContact O-OH 3.08Å; F3-Y45 HydrophobicContact CB-CD1 3.67Å; F3-Y45 HydrophobicContact CB-CD2 4.09Å; F3-Y45 HydrophobicContact CB-CE1 3.31Å; F3-Y45 HydrophobicContact CB-CE2 3.76Å; F3-Y45 HydrophobicContact CB-CG 4.04Å; F3-Y45 HydrophobicContact CD1-CD1 4.43Å; F3-Y45 HydrophobicContact CD2-CD1 4.41Å; F3-Y45 HydrophobicContact CD2-CD2 4.39Å; F3-Y45 HydrophobicContact CD2-CG 4.17Å; F3-Y45 AromaticContact CG-CD1 3.97Å; F3-Y45 HydrophobicContact CG-CD1 3.97Å; F3-Y45 HydrophobicContact CG-CE1 4.1Å; F3-Y45 HydrophobicContact CG-CG 4.18Å; F3-Y45 PolarHBondContact N-OH 2.88Å; L41-Y45 PolarHBondContact O-N 3.18Å; V42-Y45 PolarHBondContact O-N 3.5Å; Y45-A48 PolarHBondContact O-N 2.83Å; Y45-N49 WeakPolarHBondContact CD1-ND2 3.34Å; Y45-N49 WeakPolarHBondContact CE1-ND2 3.22Å; Y45-N49 VanDerWaalsContact CZ-ND2 3.33Å; Y45-N49 WeakPolarHBondContact O-CB 3.41Å; Y45-N49 VanDerWaalsContact O-CG 3.24Å; Y45-N49 PolarHBondContact O-N 2.98Å; Y45-N49 PolarHBondContact O-ND2 2.81Å
46	D	70.2	Confident	69.6	Low	72 Å²	72	82.2 Å²	82.2	39%	0.385	43%	0.431	S	S	.	.	H	α-helix	trans	-57.9	-48.4	172	-73.1	-25.7	0	0	0	111.2	V42 R43 A48 N49 I50	V42-D46 PolarHBondContact O-N 2.81Å; R43-D46 PolarHBondContact O-N 2.95Å; D46-A48 PolarHBondContact O-N 2.86Å; D46-N49 PolarHBondContact O-N 3.1Å; D46-I50 WeakPolarHBondContact O-CB 3.5Å; D46-I50 WeakPolarHBondContact O-CD1 3.1Å; D46-I50 VanDerWaalsContact O-CG1 3.24Å; D46-I50 WeakPolarHBondContact O-CG1 3.38Å; D46-I50 PolarHBondContact O-N 3.3Å
47	I	72.1	Confident	68.3	Low	105 Å²	105	85.7 Å²	85.7	54%	0.538	45%	0.448	S	S	.	.	H	α-helix	trans	-62	-43.7	177	-69.9	163.9	0	0	0	110.8	R43 C44 N49 I50 V51	R43-I47 WeakPolarHBondContact O-CB 3Å; R43-I47 WeakPolarHBondContact O-CD1 3.25Å; R43-I47 WeakPolarHBondContact O-CG1 3.43Å; R43-I47 PolarHBondContact O-N 3.27Å; C44-I47 PolarHBondContact O-N 3.09Å; I47-N49 VanDerWaalsContact C-N 3.33Å; I47-N49 PolarHBondContact O-N 3.33Å; I47-I50 PolarHBondContact O-N 3.32Å; I47-I50 VanDerWaalsContact O-N 3.16Å; I47-V51 HydrophobicContact CG2-CG2 4.34Å; I47-V51 WeakPolarHBondContact O-CG2 3.25Å; I47-V51 PolarHBondContact O-N 3.33Å
48	A	70.3	Confident	67.3	Low	40 Å²	40	86.4 Å²	86.4	33%	0.331	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-38.9	176	0	0	0	0	0	112.2	C44 Y45 D46 I50 N52	C44-A48 WeakPolarHBondContact O-CB 3.5Å; C44-A48 PolarHBondContact O-N 3.31Å; Y45-A48 PolarHBondContact O-N 2.83Å; D46-A48 PolarHBondContact O-N 2.86Å; A48-I50 VanDerWaalsContact C-N 3.33Å; A48-N52 WeakPolarHBondContact O-CB 3.44Å; A48-N52 PolarHBondContact O-N 2.88Å; A48-N52 PolarHBondContact O-ND2 2.88Å
49	N	68.5	Low	66	Low	61 Å²	61	89.6 Å²	89.6	33%	0.326	47%	0.466	S	S	.	.	H	α-helix	trans	-72.2	-25.2	175.1	-69.7	-41.1	0	0	0	113.4	Y45 D46 I47 R53	Y45-N49 WeakPolarHBondContact CD1-ND2 3.34Å; Y45-N49 WeakPolarHBondContact CE1-ND2 3.22Å; Y45-N49 VanDerWaalsContact CZ-ND2 3.33Å; Y45-N49 WeakPolarHBondContact O-CB 3.41Å; Y45-N49 VanDerWaalsContact O-CG 3.24Å; Y45-N49 PolarHBondContact O-N 2.98Å; Y45-N49 PolarHBondContact O-ND2 2.81Å; D46-N49 PolarHBondContact O-N 3.1Å; I47-N49 VanDerWaalsContact C-N 3.33Å; I47-N49 PolarHBondContact O-N 3.33Å; N49-R53 WeakPolarHBondContact O-CD 3.4Å; N49-R53 VanDerWaalsContact O-CG 3.27Å; N49-R53 WeakPolarHBondContact O-CG 3.37Å
50	I	66.4	Low	65	Low	85 Å²	85	88.4 Å²	88.4	44%	0.436	46%	0.463	S	S	.	.	H	α-helix	trans	-74.3	-47.5	172.6	-73.9	164.3	0	0	0	109.7	D46 I47 A48 R53 I56	D46-I50 WeakPolarHBondContact O-CB 3.5Å; D46-I50 WeakPolarHBondContact O-CD1 3.1Å; D46-I50 VanDerWaalsContact O-CG1 3.24Å; D46-I50 WeakPolarHBondContact O-CG1 3.38Å; D46-I50 PolarHBondContact O-N 3.3Å; I47-I50 PolarHBondContact O-N 3.32Å; I47-I50 VanDerWaalsContact O-N 3.16Å; A48-I50 VanDerWaalsContact C-N 3.33Å; I50-R53 PolarHBondContact O-N 2.78Å; I50-I56 HydrophobicContact CB-CD1 4.48Å; I50-I56 HydrophobicContact CG2-CD1 4.01Å; I50-I56 HydrophobicContact CG2-CG2 4.02Å; I50-I56 WeakPolarHBondContact O-CB 3.26Å
51	V	62.9	Low	64	Low	80 Å²	80	86.9 Å²	86.9	49%	0.485	46%	0.456	S	S	.	.	H	α-helix	trans	-69.5	-34.1	179.2	174.3	0	0	0	0	112.2	I47 R53 L57	I47-V51 HydrophobicContact CG2-CG2 4.34Å; I47-V51 WeakPolarHBondContact O-CG2 3.25Å; I47-V51 PolarHBondContact O-N 3.33Å; V51-R53 VanDerWaalsContact C-N 3.26Å; V51-R53 PolarHBondContact O-N 2.8Å; V51-L57 WeakPolarHBondContact O-CD1 3.22Å
52	N	62.9	Low	63.2	Low	129 Å²	129	86.6 Å²	86.6	69%	0.69	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	7.4	177.2	-67.2	-34.5	0	0	0	114.1	A48	A48-N52 WeakPolarHBondContact O-CB 3.44Å; A48-N52 PolarHBondContact O-N 2.88Å; A48-N52 PolarHBondContact O-ND2 2.88Å
53	R	59.9	Low	62.2	Low	151 Å²	151	90.1 Å²	90.1	57%	0.57	47%	0.471	S	S	*	.			trans	-88.6	118.3	169.5	-85	168.6	-180	-151.5	0.8	109.3	N49 I50 V51 S55 I56	N49-R53 WeakPolarHBondContact O-CD 3.4Å; N49-R53 VanDerWaalsContact O-CG 3.27Å; N49-R53 WeakPolarHBondContact O-CG 3.37Å; I50-R53 PolarHBondContact O-N 2.78Å; V51-R53 VanDerWaalsContact C-N 3.26Å; V51-R53 PolarHBondContact O-N 2.8Å; R53-S55 VanDerWaalsContact C-N 3.29Å; R53-S55 PolarHBondContact O-N 3.09Å; R53-I56 HydrophobicContact CB-CB 4.2Å; R53-I56 HydrophobicContact CB-CD1 3.96Å; R53-I56 HydrophobicContact CB-CG1 3.9Å; R53-I56 HydrophobicContact CG-CD1 4.49Å; R53-I56 PolarHBondContact O-N 3.4Å
54	P	55.7	Low	61.3	Low	101 Å²	101	88.1 Å²	88.1	66%	0.656	47%	0.47	S	S	*	.	H	α-helix	trans	-57.5	-42.7	-176.8	21.2	-32	0	0	0	112.1	I56 L57 D58	P54-I56 PolarHBondContact O-N 2.81Å; P54-L57 PolarHBondContact O-N 3.29Å; P54-D58 PolarHBondContact O-N 3.43Å
55	S	57.2	Low	60	Low	62 Å²	62	89.9 Å²	89.9	43%	0.434	48%	0.481	S	S	.	.	H	α-helix	trans	-60.4	-19	178.3	68	0	0	0	0	114.7	R53 E59	R53-S55 VanDerWaalsContact C-N 3.29Å; R53-S55 PolarHBondContact O-N 3.09Å; S55-E59 WeakPolarHBondContact O-CB 3.31Å; S55-E59 WeakPolarHBondContact O-CG 3.45Å; S55-E59 PolarHBondContact O-N 2.81Å
56	I	51.7	Low	58.6	Low	30 Å²	30	95.6 Å²	95.6	15%	0.154	50%	0.503	C	S	.	.	H	α-helix	trans	-88	-25.5	179	-63.2	-174	0	0	0	111	I50 R53 P54 L60	I50-I56 HydrophobicContact CB-CD1 4.48Å; I50-I56 HydrophobicContact CG2-CD1 4.01Å; I50-I56 HydrophobicContact CG2-CG2 4.02Å; I50-I56 WeakPolarHBondContact O-CB 3.26Å; R53-I56 HydrophobicContact CB-CB 4.2Å; R53-I56 HydrophobicContact CB-CD1 3.96Å; R53-I56 HydrophobicContact CB-CG1 3.9Å; R53-I56 HydrophobicContact CG-CD1 4.49Å; R53-I56 PolarHBondContact O-N 3.4Å; P54-I56 PolarHBondContact O-N 2.81Å; I56-L60 HydrophobicContact CG2-CD1 4.04Å; I56-L60 HydrophobicContact CG2-CG 4.35Å; I56-L60 WeakPolarHBondContact O-CB 3.45Å; I56-L60 WeakPolarHBondContact O-CD1 3.43Å; I56-L60 WeakPolarHBondContact O-CG 3.36Å; I56-L60 PolarHBondContact O-N 2.79Å
57	L	54.2	Low	56.9	Low	90 Å²	90	94.3 Å²	94.3	47%	0.471	50%	0.503	S	S	.	.	H	α-helix	trans	-67.9	-46.8	164	-86.6	75.4	0	0	0	109.9	V51 P54 E59 L60 D61	V51-L57 WeakPolarHBondContact O-CD1 3.22Å; P54-L57 PolarHBondContact O-N 3.29Å; L57-E59 VanDerWaalsContact C-N 3.33Å; L57-E59 PolarHBondContact O-N 3.23Å; L57-L60 PolarHBondContact O-N 2.82Å; L57-L60 VanDerWaalsContact O-N 3.12Å; L57-D61 PolarHBondContact O-N 2.92Å
58	D	58.4	Low	55.2	Low	116 Å²	116	97 Å²	97	62%	0.62	52%	0.518	S	S	*	.	H	α-helix	trans	-57.9	-43.9	177.6	-56.6	-39.3	0	0	0	111.9	P54 S62	P54-D58 PolarHBondContact O-N 3.43Å; D58-S62 PolarHBondContact O-N 3.41Å
59	E	54.9	Low	53.6	Low	110 Å²	110	100.8 Å²	100.8	51%	0.514	53%	0.531	S	S	.	.	H	α-helix	trans	-65.7	-44.7	173.4	-79.9	179.3	175.7	0	0	111.8	S55 L57 D61 S62 F63	S55-E59 WeakPolarHBondContact O-CB 3.31Å; S55-E59 WeakPolarHBondContact O-CG 3.45Å; S55-E59 PolarHBondContact O-N 2.81Å; L57-E59 VanDerWaalsContact C-N 3.33Å; L57-E59 PolarHBondContact O-N 3.23Å; E59-D61 PolarHBondContact O-N 3.38Å; E59-S62 CarbonylContact O-C 3.57Å; E59-S62 WeakPolarHBondContact O-CA 3.46Å; E59-S62 WeakPolarHBondContact O-CB 3.28Å; E59-S62 PolarHBondContact O-N 3.47Å; E59-S62 VanDerWaalsContact O-N 3.15Å; E59-S62 PolarHBondContact O-OG 3.3Å; E59-F63 HydrophobicContact CB-CE2 4.32Å; E59-F63 WeakPolarHBondContact O-CD2 3.35Å; E59-F63 PolarHBondContact O-N 3.36Å
60	L	54	Low	52.1	Low	100 Å²	100	102.1 Å²	102.1	52%	0.524	55%	0.545	S	S	.	.	H	α-helix	trans	-62.9	-42.6	-180	-80.3	168.8	0	0	0	112.4	I56 L57 S62 F63 I64	I56-L60 HydrophobicContact CG2-CD1 4.04Å; I56-L60 HydrophobicContact CG2-CG 4.35Å; I56-L60 WeakPolarHBondContact O-CB 3.45Å; I56-L60 WeakPolarHBondContact O-CD1 3.43Å; I56-L60 WeakPolarHBondContact O-CG 3.36Å; I56-L60 PolarHBondContact O-N 2.79Å; L57-L60 PolarHBondContact O-N 2.82Å; L57-L60 VanDerWaalsContact O-N 3.12Å; L60-S62 VanDerWaalsContact C-N 3.27Å; L60-S62 PolarHBondContact O-N 2.94Å; L60-F63 CarbonylContact O-C 3.42Å; L60-F63 WeakPolarHBondContact O-CA 3.37Å; L60-F63 WeakPolarHBondContact O-CB 3.44Å; L60-F63 PolarHBondContact O-N 3.02Å; L60-I64 PolarHBondContact O-N 3.33Å
61	D	55.6	Low	50.7	Low	105 Å²	105	106.6 Å²	106.6	56%	0.561	56%	0.564	S	S	*	*	H	α-helix	trans	-62.6	-35.7	174.4	-80.9	-7.8	0	0	0	111.3	L57 E59 F63 I64 P65	L57-D61 PolarHBondContact O-N 2.92Å; E59-D61 PolarHBondContact O-N 3.38Å; D61-F63 PolarHBondContact O-N 3.15Å; D61-I64 PolarHBondContact O-N 3.35Å; D61-I64 WeakPolarHBondContact OD1-CD1 3.37Å; D61-P65 WeakPolarHBondContact O-CD 3.24Å
62	S	57.7	Low	49.7	Very low	64 Å²	64	107.2 Å²	107.2	45%	0.448	57%	0.568	S	S	.	*	H	α-helix	trans	-67.5	-21.8	171	87	0	0	0	0	113.5	D58 E59 L60 Y66	D58-S62 PolarHBondContact O-N 3.41Å; E59-S62 CarbonylContact O-C 3.57Å; E59-S62 WeakPolarHBondContact O-CA 3.46Å; E59-S62 WeakPolarHBondContact O-CB 3.28Å; E59-S62 PolarHBondContact O-N 3.47Å; E59-S62 VanDerWaalsContact O-N 3.15Å; E59-S62 PolarHBondContact O-OG 3.3Å; L60-S62 VanDerWaalsContact C-N 3.27Å; L60-S62 PolarHBondContact O-N 2.94Å; S62-Y66 WeakPolarHBondContact O-CD2 3.28Å
63	F	53.7	Low	49	Very low	118 Å²	118	105.5 Å²	105.5	52%	0.518	56%	0.556	S	S	.	*	H	α-helix	trans	-92.5	-13.9	174.9	-72.3	-59.6	0	0	0	114.6	E59 L60 D61 P65 Y66 A67	E59-F63 HydrophobicContact CB-CE2 4.32Å; E59-F63 WeakPolarHBondContact O-CD2 3.35Å; E59-F63 PolarHBondContact O-N 3.36Å; L60-F63 CarbonylContact O-C 3.42Å; L60-F63 WeakPolarHBondContact O-CA 3.37Å; L60-F63 WeakPolarHBondContact O-CB 3.44Å; L60-F63 PolarHBondContact O-N 3.02Å; D61-F63 PolarHBondContact O-N 3.15Å; F63-P65 VanDerWaalsContact C-N 3.33Å; F63-Y66 HydrophobicContact CD1-CD2 4.48Å; F63-Y66 CarbonylContact O-C 3.53Å; F63-Y66 PolarHBondContact O-N 3.41Å; F63-A67 PolarHBondContact O-N 3.47Å
64	I	52.4	Low	48.3	Very low	97 Å²	97	104.9 Å²	104.9	50%	0.497	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.6	-42.8	175.3	-71.3	174.5	0	0	0	112.2	L60 D61 Y66 A67	L60-I64 PolarHBondContact O-N 3.33Å; D61-I64 PolarHBondContact O-N 3.35Å; D61-I64 WeakPolarHBondContact OD1-CD1 3.37Å; I64-Y66 PolarHBondContact O-N 3.12Å; I64-A67 PolarHBondContact O-N 3.02Å
65	P	45.5	Very low	48.4	Very low	103 Å²	103	101.8 Å²	101.8	67%	0.669	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-15.8	175.6	-21.4	34.3	0	0	0	115.2	D61 F63	D61-P65 WeakPolarHBondContact O-CD 3.24Å; F63-P65 VanDerWaalsContact C-N 3.33Å
66	Y	45.5	Very low	49	Very low	189 Å²	189	102.2 Å²	102.2	74%	0.741	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-16.1	-179.4	-63.2	-74.9	0	0	0	113.1	S62 F63 I64 N68	S62-Y66 WeakPolarHBondContact O-CD2 3.28Å; F63-Y66 HydrophobicContact CD1-CD2 4.48Å; F63-Y66 CarbonylContact O-C 3.53Å; F63-Y66 PolarHBondContact O-N 3.41Å; I64-Y66 PolarHBondContact O-N 3.12Å; Y66-N68 PolarHBondContact O-N 2.89Å
67	A	36.4	Very low	50.3	Low	45 Å²	45	101.1 Å²	101.1	37%	0.372	55%	0.548	S	S	.	.	S	Bend	trans	-64.5	130.8	163.6	0	0	0	0	0	108.2	F63 I64 I69	F63-A67 PolarHBondContact O-N 3.47Å; I64-A67 PolarHBondContact O-N 3.02Å; A67-I69 HydrophobicContact CB-CD1 3.97Å; A67-I69 HydrophobicContact CB-CG1 3.97Å; A67-I69 PolarHBondContact O-N 2.81Å
68	N	34.5	Very low	51.7	Low	161 Å²	161	100.4 Å²	100.4	86%	0.861	55%	0.549	S	S	*	.			trans	-76.7	42.7	-178.8	-158.7	59.4	0	0	0	112.3	Y66 S70	Y66-N68 PolarHBondContact O-N 2.89Å; N68-S70 PolarHBondContact O-N 3.32Å
69	I	38.1	Very low	52.9	Low	119 Å²	119	95.6 Å²	95.6	61%	0.61	52%	0.522	S	S	*	.			trans	-70.6	108.2	166.1	-57.2	169.2	0	0	0	105	A67 E71	A67-I69 HydrophobicContact CB-CD1 3.97Å; A67-I69 HydrophobicContact CB-CG1 3.97Å; A67-I69 PolarHBondContact O-N 2.81Å; I69-E71 PolarHBondContact O-N 2.87Å; I69-E71 VanDerWaalsContact O-N 3.16Å
70	S	37	Very low	54.4	Low	89 Å²	89	93.1 Å²	93.1	62%	0.622	52%	0.517	S	S	*	.			trans	-58.6	122.8	172.4	-55.5	0	0	0	0	108.8	N68 V72	N68-S70 PolarHBondContact O-N 3.32Å; S70-V72 PolarHBondContact O-N 2.68Å; S70-V72 VanDerWaalsContact O-N 3.16Å
71	E	37.3	Very low	55.8	Low	179 Å²	179	91.1 Å²	91.1	84%	0.836	51%	0.505	S	S	*	.			trans	-50.4	125.7	174.7	-70.2	-171.6	129.5	0	0	109.2	I69 Q73	I69-E71 PolarHBondContact O-N 2.87Å; I69-E71 VanDerWaalsContact O-N 3.16Å; E71-Q73 VanDerWaalsContact C-N 3.32Å; E71-Q73 PolarHBondContact O-N 2.67Å
72	V	41.2	Very low	57.1	Low	93 Å²	93	90.4 Å²	90.4	56%	0.564	50%	0.502	S	S	*	.			trans	-66.5	96.5	177.2	-179.6	0	0	0	0	107.1	S70 T74	S70-V72 PolarHBondContact O-N 2.68Å; S70-V72 VanDerWaalsContact O-N 3.16Å; V72-T74 WeakPolarHBondContact O-CG2 3.31Å; V72-T74 PolarHBondContact O-N 2.87Å
73	Q	48.1	Very low	58.3	Low	93 Å²	93	90.7 Å²	90.7	44%	0.435	50%	0.496	S	S	.	.			trans	-52.1	116.1	-169.8	-78.7	-179.2	11.2	0	0	110.6	E71	E71-Q73 VanDerWaalsContact C-N 3.32Å; E71-Q73 PolarHBondContact O-N 2.67Å
74	T	45	Very low	59.8	Low	138 Å²	138	85.2 Å²	85.2	85%	0.847	47%	0.472	S	S	*	.			trans	-78.5	127.3	-162.4	42.5	0	0	0	0	111	V72	V72-T74 WeakPolarHBondContact O-CG2 3.31Å; V72-T74 PolarHBondContact O-N 2.87Å
75	G	57.7	Low	61.3	Low	36 Å²	36	84.3 Å²	84.3	37%	0.371	47%	0.465	S	S	.	.			trans	174.5	160.7	-179.8	0	0	0	0	0	110.3
76	L	69.3	Low	63	Low	71 Å²	71	85.1 Å²	85.1	37%	0.372	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-98.9	142.3	162.4	-64.2	169.9	0	0	0	107.4	Q170 L175 R705	L76-Q170 HydrophobicContact CD2-CB 4.43Å; L76-Q170 HydrophobicContact CD2-CG 4.03Å; L76-L175 HydrophobicContact CD1-CB 4.34Å; L76-L175 HydrophobicContact CD2-CB 3.76Å; L76-L175 HydrophobicContact CD2-CD1 4.42Å; L76-R705 VanDerWaalsContact CD1-NH1 3.29Å
77	P	80.2	Confident	64.8	Low	8 Å²	8	78.2 Å²	78.2	5%	0.052	43%	0.43	C	S	.	.	S	Bend	trans	-70.5	159.9	173.8	31.8	-35.2	0	0	0	110.5	F79 Y161 T167 I176	P77-F79 HydrophobicContact CB-CD1 4.18Å; P77-F79 HydrophobicContact CB-CE1 4.24Å; P77-F79 HydrophobicContact CB-CG 4.38Å; P77-F79 HydrophobicContact CB-CZ 4.49Å; P77-Y161 HydrophobicContact CB-CD1 3.61Å; P77-Y161 HydrophobicContact CB-CE1 4.01Å; P77-Y161 HydrophobicContact CB-CG 4.34Å; P77-Y161 HydrophobicContact CG-CD1 3.68Å; P77-Y161 HydrophobicContact CG-CE1 4.04Å; P77-T167 HydrophobicContact CG-CG2 4.12Å; P77-I176 HydrophobicContact CG-CD1 3.47Å; P77-I176 VanDerWaalsContact CG-CD1 3.47Å; P77-I176 HydrophobicContact CG-CG1 4.05Å
78	P	82.8	Confident	67.1	Low	75 Å²	75	76.4 Å²	76.4	49%	0.487	41%	0.414	S	S	.	.	S	Bend	cis	-73.6	128.6	11.6	30	-33.9	0	0	0	112.8	S159 Y161	P78-S159 VanDerWaalsContact CB-O 3.3Å; P78-S159 WeakPolarHBondContact CB-O 3.38Å; P78-Y161 HydrophobicContact CB-CD2 4.32Å; P78-Y161 HydrophobicContact CB-CE2 3.99Å; P78-Y161 HydrophobicContact CG-CE2 4.45Å
79	F	84.9	Confident	69.1	Low	14 Å²	14	72.8 Å²	72.8	6%	0.061	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-76.5	142.7	175.4	-65.1	-28.7	0	0	0	111	P77 Q83 L84 G160 P162	P77-F79 HydrophobicContact CB-CD1 4.18Å; P77-F79 HydrophobicContact CB-CE1 4.24Å; P77-F79 HydrophobicContact CB-CG 4.38Å; P77-F79 HydrophobicContact CB-CZ 4.49Å; F79-Q83 HydrophobicContact CB-CB 3.98Å; F79-Q83 HydrophobicContact CG-CB 4.46Å; F79-L84 HydrophobicContact CB-CD2 4.05Å; F79-L84 HydrophobicContact CB-CG 4.03Å; F79-L84 HydrophobicContact CD2-CD2 4.15Å; F79-G160 PolarHBondContact N-O 3.4Å; F79-G160 WeakPolarHBondContact O-CA 3.45Å; F79-P162 HydrophobicContact CD2-CG 3.56Å; F79-P162 HydrophobicContact CE2-CG 3.53Å
80	S	85.1	Confident	70.8	Confident	58 Å²	58	69.6 Å²	69.6	41%	0.406	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-66	157.3	171.4	75.9	0	0	0	0	110.9	D82 Q83 L84	S80-D82 PolarHBondContact O-N 3.25Å; S80-D82 VanDerWaalsContact O-N 3.12Å; S80-Q83 WeakPolarHBondContact O-CB 3.07Å; S80-Q83 PolarHBondContact O-N 2.75Å; S80-Q83 PolarHBondContact OG-N 2.77Å; S80-Q83 PolarHBondContact OG-OE1 2.78Å; S80-L84 PolarHBondContact O-N 3.13Å
81	M	84.1	Confident	72.7	Confident	58 Å²	58	68.8 Å²	68.8	29%	0.286	39%	0.387	S	S	.	.	H	α-helix	trans	-58.4	-29.2	179	-170	55	68.2	0	0	112.4	L84 K85 T101 V233 V235 L647	M81-L84 HydrophobicContact SD-CD1 4.47Å; M81-K85 VanDerWaalsContact O-CG 3.27Å; M81-K85 WeakPolarHBondContact O-CG 3.01Å; M81-K85 PolarHBondContact O-N 3.08Å; M81-T101 HydrophobicContact CE-CG2 3.75Å; M81-T101 HydrophobicContact SD-CG2 3.83Å; M81-V233 HydrophobicContact CE-CG1 4.36Å; M81-V235 HydrophobicContact CE-CG2 3.92Å; M81-V235 HydrophobicContact SD-CG2 4.22Å; M81-L647 HydrophobicContact SD-CD1 4.2Å
82	D	82.7	Confident	74.5	Confident	91 Å²	91	68.6 Å²	68.6	49%	0.487	39%	0.391	S	S	.	.	H	α-helix	trans	-78.8	-29.1	176.1	-61.7	-49.1	0	0	0	113.5	S80 K85 K86	S80-D82 PolarHBondContact O-N 3.25Å; S80-D82 VanDerWaalsContact O-N 3.12Å; D82-K85 WeakPolarHBondContact OD1-CE 3.16Å; D82-K85 IonicContact OD1-NZ 2.75Å; D82-K85 PolarHBondContact OD1-NZ 3.36Å; D82-K86 VanDerWaalsContact O-CG 3.28Å; D82-K86 WeakPolarHBondContact O-CG 3.41Å; D82-K86 PolarHBondContact O-N 2.73Å; D82-K86 VanDerWaalsContact O-N 3.13Å
83	Q	83.1	Confident	76.1	Confident	69 Å²	69	66.5 Å²	66.5	32%	0.322	38%	0.377	S	S	.	.	H	α-helix	trans	-68.9	-39.8	167.7	-74.1	168.6	-46.9	0	0	111	F79 S80 K86 R87	F79-Q83 HydrophobicContact CB-CB 3.98Å; F79-Q83 HydrophobicContact CG-CB 4.46Å; S80-Q83 WeakPolarHBondContact O-CB 3.07Å; S80-Q83 PolarHBondContact O-N 2.75Å; S80-Q83 PolarHBondContact OG-N 2.77Å; S80-Q83 PolarHBondContact OG-OE1 2.78Å; Q83-K86 PolarHBondContact O-N 2.86Å; Q83-R87 PolarHBondContact O-N 2.7Å
84	L	85.4	Confident	77.2	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.016	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-48.3	173.8	-68.6	172.9	0	0	0	111.5	F79 S80 M81 K86 R87 I88 Y156 P162 V235	F79-L84 HydrophobicContact CB-CD2 4.05Å; F79-L84 HydrophobicContact CB-CG 4.03Å; F79-L84 HydrophobicContact CD2-CD2 4.15Å; S80-L84 PolarHBondContact O-N 3.13Å; M81-L84 HydrophobicContact SD-CD1 4.47Å; L84-K86 VanDerWaalsContact C-N 3.27Å; L84-K86 PolarHBondContact O-N 3.32Å; L84-R87 PolarHBondContact O-N 2.94Å; L84-I88 HydrophobicContact CB-CD1 4.48Å; L84-I88 WeakPolarHBondContact O-CB 3.49Å; L84-I88 WeakPolarHBondContact O-CD1 3.17Å; L84-I88 WeakPolarHBondContact O-CG1 3.14Å; L84-I88 PolarHBondContact O-N 3.14Å; L84-Y156 HydrophobicContact CD2-CE1 4.15Å; L84-P162 HydrophobicContact CD2-CG 4.43Å; L84-V235 HydrophobicContact CD1-CG2 4.14Å
85	K	83.9	Confident	78.4	Confident	79 Å²	79	68.1 Å²	68.1	34%	0.343	37%	0.371	S	S	.	.	H	α-helix	trans	-51.6	-45.5	172.4	-74.7	171.9	-152.1	168	0	111.8	M81 D82 I88 S89 L647	M81-K85 VanDerWaalsContact O-CG 3.27Å; M81-K85 WeakPolarHBondContact O-CG 3.01Å; M81-K85 PolarHBondContact O-N 3.08Å; D82-K85 WeakPolarHBondContact OD1-CE 3.16Å; D82-K85 IonicContact OD1-NZ 2.75Å; D82-K85 PolarHBondContact OD1-NZ 3.36Å; K85-I88 PolarHBondContact O-N 3.49Å; K85-S89 WeakPolarHBondContact O-CB 3.48Å; K85-S89 PolarHBondContact O-N 2.76Å; K85-S89 PolarHBondContact O-OG 3.48Å; K85-L647 HydrophobicContact CD-CD2 4.25Å; K85-L647 HydrophobicContact CG-CD1 4.43Å; K85-L647 HydrophobicContact CG-CD2 4.22Å
86	K	80.4	Confident	78.8	Confident	119 Å²	119	68.9 Å²	68.9	52%	0.517	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-47.6	178.3	-74.3	172.9	-176.2	-175.6	0	112.2	D82 Q83 L84 I88 S89 G90	D82-K86 VanDerWaalsContact O-CG 3.28Å; D82-K86 WeakPolarHBondContact O-CG 3.41Å; D82-K86 PolarHBondContact O-N 2.73Å; D82-K86 VanDerWaalsContact O-N 3.13Å; Q83-K86 PolarHBondContact O-N 2.86Å; L84-K86 VanDerWaalsContact C-N 3.27Å; L84-K86 PolarHBondContact O-N 3.32Å; K86-I88 VanDerWaalsContact C-N 3.34Å; K86-I88 PolarHBondContact O-N 2.81Å; K86-S89 PolarHBondContact O-N 3.29Å; K86-S89 PolarHBondContact O-OG 3.22Å; K86-G90 PolarHBondContact O-N 2.64Å
87	R	83	Confident	79.2	Confident	44 Å²	44	66.5 Å²	66.5	17%	0.166	37%	0.368	C	S	.	.	H	α-helix	trans	-58.3	-45.6	173.8	-72.7	177.3	81.5	101.3	-10.7	111.4	Q83 L84 S89 G90 D164	Q83-R87 PolarHBondContact O-N 2.7Å; L84-R87 PolarHBondContact O-N 2.94Å; R87-S89 PolarHBondContact O-N 2.72Å; R87-G90 PolarHBondContact O-N 2.7Å; R87-G90 VanDerWaalsContact O-N 3.16Å; R87-D164 IonicContact NH2-OD2 3.55Å; R87-D164 PolarHBondContact NH2-OD2 3.25Å
88	I	84.4	Confident	79.3	Confident	7 Å²	7	67.3 Å²	67.3	4%	0.036	38%	0.377	C	S	.	.	H	α-helix	trans	-65.6	-37.7	-179	-64.7	164.5	0	0	0	111.6	L84 K85 K86 G90 L91 L93 I99 Y156 V235 F237	L84-I88 HydrophobicContact CB-CD1 4.48Å; L84-I88 WeakPolarHBondContact O-CB 3.49Å; L84-I88 WeakPolarHBondContact O-CD1 3.17Å; L84-I88 WeakPolarHBondContact O-CG1 3.14Å; L84-I88 PolarHBondContact O-N 3.14Å; K85-I88 PolarHBondContact O-N 3.49Å; K86-I88 VanDerWaalsContact C-N 3.34Å; K86-I88 PolarHBondContact O-N 2.81Å; I88-G90 PolarHBondContact O-N 3.16Å; I88-G90 VanDerWaalsContact O-N 3.15Å; I88-L91 HydrophobicContact CG1-CD1 4.48Å; I88-L91 WeakPolarHBondContact O-CB 3.29Å; I88-L91 PolarHBondContact O-N 2.76Å; I88-L93 HydrophobicContact CG2-CD1 4.21Å; I88-I99 HydrophobicContact CG2-CD1 3.74Å; I88-Y156 HydrophobicContact CD1-CD1 3.87Å; I88-Y156 HydrophobicContact CD1-CE1 3.91Å; I88-Y156 HydrophobicContact CG1-CD1 3.94Å; I88-Y156 HydrophobicContact CG1-CE1 3.57Å; I88-V235 HydrophobicContact CD1-CG1 3.93Å; I88-F237 HydrophobicContact CD1-CE1 4.26Å; I88-F237 HydrophobicContact CG1-CE1 4.31Å; I88-F237 HydrophobicContact CG1-CZ 4.16Å; I88-F237 HydrophobicContact CG2-CE1 4.01Å; I88-F237 HydrophobicContact CG2-CZ 4.26Å
89	S	77.7	Confident	79.5	Confident	85 Å²	85	64.6 Å²	64.6	59%	0.594	36%	0.358	S	S	*	.	H	α-helix	trans	-66	-12	175.6	66.7	0	0	0	0	114.6	K85 K86 R87	K85-S89 WeakPolarHBondContact O-CB 3.48Å; K85-S89 PolarHBondContact O-N 2.76Å; K85-S89 PolarHBondContact O-OG 3.48Å; K86-S89 PolarHBondContact O-N 3.29Å; K86-S89 PolarHBondContact O-OG 3.22Å; R87-S89 PolarHBondContact O-N 2.72Å
90	G	73.2	Confident	79.6	Confident	53 Å²	53	65.7 Å²	65.7	55%	0.546	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.7	170.1	0	0	0	0	0	114.5	K86 R87 I88	K86-G90 PolarHBondContact O-N 2.64Å; R87-G90 PolarHBondContact O-N 2.7Å; R87-G90 VanDerWaalsContact O-N 3.16Å; I88-G90 PolarHBondContact O-N 3.16Å; I88-G90 VanDerWaalsContact O-N 3.15Å
91	L	78.2	Confident	79.8	Confident	72 Å²	72	63.9 Å²	63.9	38%	0.377	35%	0.35	S	S	.	.	S	Bend	trans	-94	128.3	-179.2	-58.2	178.9	0	0	0	111.1	I88 L93 Y156 F237	I88-L91 HydrophobicContact CG1-CD1 4.48Å; I88-L91 WeakPolarHBondContact O-CB 3.29Å; I88-L91 PolarHBondContact O-N 2.76Å; L91-L93 HydrophobicContact CB-CG 4.16Å; L91-L93 PolarHBondContact O-N 2.88Å; L91-Y156 HydrophobicContact CD1-CD2 4.39Å; L91-Y156 HydrophobicContact CD1-CE2 3.76Å; L91-F237 HydrophobicContact CD1-CE2 4.23Å; L91-F237 HydrophobicContact CD1-CZ 3.97Å
92	N	74.2	Confident	80	Confident	174 Å²	174	61.6 Å²	61.6	93%	0.93	34%	0.339	S	S	*	.			trans	-73.7	77.1	170.4	-64.8	-50.3	0	0	0	110.4
93	L	74.7	Confident	80.3	Confident	49 Å²	49	62.7 Å²	62.7	26%	0.257	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-76.9	146.4	176.1	-68.5	170.7	0	0	0	111.1	I88 L91 I99 F237	I88-L93 HydrophobicContact CG2-CD1 4.21Å; L91-L93 HydrophobicContact CB-CG 4.16Å; L91-L93 PolarHBondContact O-N 2.88Å; L93-I99 HydrophobicContact CD1-CD1 4.03Å; L93-I99 HydrophobicContact CD1-CG1 4.22Å; L93-F237 HydrophobicContact CD1-CD1 4.37Å; L93-F237 HydrophobicContact CD1-CE1 4.16Å; L93-F237 HydrophobicContact CD1-CZ 4.35Å; L93-F237 HydrophobicContact CD2-CD2 3.94Å; L93-F237 HydrophobicContact CD2-CE2 3.95Å; L93-F237 HydrophobicContact CD2-CG 4.33Å; L93-F237 HydrophobicContact CD2-CZ 4.35Å
94	P	71.7	Confident	80.6	Confident	51 Å²	51	59.5 Å²	59.5	33%	0.331	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-56	141.6	171.8	-24.2	33	0	0	0	112.4	G96 T97 Y239	P94-G96 PolarHBondContact O-N 3.1Å; P94-T97 VanDerWaalsContact O-CB 3.3Å; P94-T97 WeakPolarHBondContact O-CB 3.4Å; P94-T97 PolarHBondContact O-N 2.95Å; P94-T97 PolarHBondContact O-OG1 3.24Å; P94-Y239 HydrophobicContact CG-CD1 4.18Å; P94-Y239 HydrophobicContact CG-CE1 3.91Å
95	Y	69.1	Low	80.5	Confident	214 Å²	214	60.1 Å²	60.1	84%	0.839	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	133.2	178	-173.1	-93.9	0	0	0	111.5
96	G	66.5	Low	80.3	Confident	52 Å²	52	60.1 Å²	60.1	54%	0.536	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	7.6	-175.6	0	0	0	0	0	115.4	P94 G98	P94-G96 PolarHBondContact O-N 3.1Å; G96-G98 PolarHBondContact O-N 2.96Å
97	T	78.7	Confident	79.8	Confident	22 Å²	22	58.1 Å²	58.1	14%	0.135	32%	0.324	C	S	.	.			trans	-67.7	119.3	169	-54.9	0	0	0	0	110	P94 F237 Y239	P94-T97 VanDerWaalsContact O-CB 3.3Å; P94-T97 WeakPolarHBondContact O-CB 3.4Å; P94-T97 PolarHBondContact O-N 2.95Å; P94-T97 PolarHBondContact O-OG1 3.24Å; T97-F237 HydrophobicContact CG2-CB 3.88Å; T97-Y239 HydrophobicContact CG2-CD1 3.77Å; T97-Y239 HydrophobicContact CG2-CE1 3.65Å; T97-Y239 WeakPolarHBondContact OG1-CD1 3.38Å; T97-Y239 WeakPolarHBondContact OG1-CE1 3.27Å
98	G	82.1	Confident	79	Confident	24 Å²	24	59.3 Å²	59.3	25%	0.247	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	139	172.7	0	0	0	0	0	111.6	G96 F237 R238	G96-G98 PolarHBondContact O-N 2.96Å; G98-F237 WeakPolarHBondContact O-CA 3.43Å; G98-R238 PolarHBondContact N-O 2.78Å; G98-R238 PolarHBondContact O-N 2.78Å
99	I	87.5	Confident	77.9	Confident	18 Å²	18	63.7 Å²	63.7	9%	0.092	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.2	177.4	-54.7	157.6	0	0	0	108	I88 L93 V235 I236 F237 L647 V649	I88-I99 HydrophobicContact CG2-CD1 3.74Å; L93-I99 HydrophobicContact CD1-CD1 4.03Å; L93-I99 HydrophobicContact CD1-CG1 4.22Å; I99-V235 HydrophobicContact CG2-CG1 4.16Å; I99-I236 WeakPolarHBondContact CA-O 3.42Å; I99-F237 HydrophobicContact CB-CD1 4.48Å; I99-F237 HydrophobicContact CG1-CD1 3.96Å; I99-F237 HydrophobicContact CG1-CE1 4.14Å; I99-F237 HydrophobicContact CG2-CD1 4.2Å; I99-F237 HydrophobicContact CG2-CE1 4.12Å; I99-L647 HydrophobicContact CB-CB 4.45Å; I99-L647 HydrophobicContact CG2-CB 4.26Å; I99-L647 HydrophobicContact CG2-CD1 4.04Å; I99-V649 HydrophobicContact CD1-CG2 4.02Å
100	F	86.7	Confident	77	Confident	37 Å²	37	70.6 Å²	70.6	16%	0.162	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.8	-176.5	-57.2	-97.7	0	0	0	111.1	V235 I236 R238 L646	F100-V235 WeakPolarHBondContact O-CA 3.42Å; F100-I236 HydrophobicContact CB-CD1 4.08Å; F100-I236 HydrophobicContact CB-CG1 3.77Å; F100-I236 HydrophobicContact CD2-CD1 4.49Å; F100-I236 PolarHBondContact N-O 3.32Å; F100-I236 VanDerWaalsContact N-O 3.08Å; F100-I236 PolarHBondContact O-N 3.37Å; F100-R238 HydrophobicContact CD2-CB 4.13Å; F100-R238 HydrophobicContact CE2-CB 3.82Å; F100-L646 HydrophobicContact CD1-CD1 4.16Å; F100-L646 HydrophobicContact CE1-CD1 3.74Å; F100-L646 HydrophobicContact CZ-CD1 4.48Å
101	T	88.5	Confident	76.6	Confident	21 Å²	21	74 Å²	74	13%	0.129	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.9	170.8	63.1	0	0	0	0	108.4	M81 L234 V235 R645 L647	M81-T101 HydrophobicContact CE-CG2 3.75Å; M81-T101 HydrophobicContact SD-CG2 3.83Å; T101-L234 WeakPolarHBondContact CA-O 3.47Å; T101-V235 HydrophobicContact CG2-CG2 4.24Å; T101-R645 PolarHBondContact OG1-O 2.81Å; T101-R645 VanDerWaalsContact OG1-O 3.13Å; T101-L647 HydrophobicContact CG2-CD1 3.51Å; T101-L647 HydrophobicContact CG2-CG 3.88Å
102	I	88.7	Confident	75.8	Confident	9 Å²	9	72.7 Å²	72.7	5%	0.046	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.4	-176.4	-62.8	175.9	0	0	0	107.7	A146 D148 L149 L234 I236	I102-A146 HydrophobicContact CG2-CB 4.17Å; I102-D148 HydrophobicContact CD1-CB 4.11Å; I102-D148 HydrophobicContact CG1-CB 4.43Å; I102-L149 HydrophobicContact CD1-CD2 3.64Å; I102-L149 HydrophobicContact CD1-CG 3.97Å; I102-L149 HydrophobicContact CG2-CD2 4.45Å; I102-L149 HydrophobicContact CG2-CG 4.31Å; I102-L234 PolarHBondContact N-O 2.78Å; I102-L234 PolarHBondContact O-N 2.86Å; I102-I236 HydrophobicContact CD1-CD1 3.61Å; I102-I236 HydrophobicContact CD1-CG1 4.23Å
103	Q	88.9	Confident	75.4	Confident	115 Å²	115	65.2 Å²	65.2	54%	0.537	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127	170.9	175.7	171.1	-23.3	0	0	108.1	P231 V233	Q103-P231 HydrophobicContact CG-CG 4.22Å; Q103-V233 HydrophobicContact CB-CG2 4.19Å; Q103-V233 HydrophobicContact CG-CG2 4.05Å
104	L	88.6	Confident	75.2	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.005	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-71.1	156.2	170.7	-61.3	-171.6	0	0	0	110.5	I118 A143 A146 L149 Y199 P231 P232 L234	L104-I118 HydrophobicContact CD1-CD1 4.3Å; L104-I118 HydrophobicContact CD2-CD1 4.48Å; L104-A143 HydrophobicContact CD2-CB 4.43Å; L104-A146 HydrophobicContact CD2-CB 3.66Å; L104-L149 HydrophobicContact CD2-CD1 4.25Å; L104-Y199 VanDerWaalsContact CB-OH 3.25Å; L104-Y199 WeakPolarHBondContact CB-OH 3.45Å; L104-Y199 HydrophobicContact CD1-CE2 4.31Å; L104-P231 WeakPolarHBondContact O-CB 3Å; L104-P231 WeakPolarHBondContact O-CG 3.4Å; L104-P232 HydrophobicContact CD1-CB 4.01Å; L104-P232 HydrophobicContact CD1-CG 3.99Å; L104-P232 HydrophobicContact CG-CB 4.31Å; L104-P232 PolarHBondContact N-O 3.45Å; L104-L234 HydrophobicContact CD1-CD1 4.3Å; L104-L234 HydrophobicContact CD2-CD1 4.22Å; L104-L234 HydrophobicContact CG-CD1 3.88Å
105	P	84.6	Confident	75.8	Confident	17 Å²	17	69.5 Å²	69.5	11%	0.11	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-68	154.1	174.5	29.6	-35.3	0	0	0	111.6	P142 N145 Y199	P105-P142 WeakPolarHBondContact CD-O 3.24Å; P105-P142 HydrophobicContact CG-CB 3.93Å; P105-P142 WeakPolarHBondContact CG-O 3.12Å; P105-N145 HydrophobicContact CG-CB 4.23Å; P105-Y199 PolarHBondContact O-OH 3.42Å
106	D	79.2	Confident	76.6	Confident	79 Å²	79	59.4 Å²	59.4	42%	0.422	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-58.7	153.4	173.5	-65.1	-67.5	0	0	0	112	Q108 P231	D106-Q108 PolarHBondContact O-N 3.39Å; D106-Q108 VanDerWaalsContact O-N 3.16Å; D106-P231 WeakPolarHBondContact OD1-CD 3.15Å; D106-P231 WeakPolarHBondContact OD1-CG 3.41Å
107	Y	70.6	Confident	77.4	Confident	76 Å²	76	57.1 Å²	57.1	30%	0.298	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-62.2	118.3	170.2	173.8	-92.5	0	0	0	109.9	P109 Y113 Y199	Y107-P109 HydrophobicContact CD1-CG 4.38Å; Y107-P109 HydrophobicContact CE1-CB 4.28Å; Y107-P109 HydrophobicContact CE1-CG 3.85Å; Y107-Y113 HydrophobicContact CD2-CD2 4.43Å; Y107-Y113 WeakPolarHBondContact CE2-O 3.43Å; Y107-Y199 HydrophobicContact CD2-CD1 4.18Å
108	Q	66	Low	77.9	Confident	69 Å²	69	56.6 Å²	56.6	32%	0.322	28%	0.275	S	S	.	.			trans	-110.6	117.2	174.1	-66.9	-166.2	14.1	0	0	109.4	D106 R110 F111 Y113	D106-Q108 PolarHBondContact O-N 3.39Å; D106-Q108 VanDerWaalsContact O-N 3.16Å; Q108-R110 PolarHBondContact O-N 2.99Å; Q108-F111 HydrophobicContact CB-CD2 4Å; Q108-F111 PolarHBondContact O-N 3.37Å; Q108-Y113 HydrophobicContact CB-CE2 4.43Å
109	P	59.9	Low	77.9	Confident	100 Å²	100	55.8 Å²	55.8	65%	0.649	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-54.3	-31.2	-178	-26.6	31.6	0	0	0	114.1	Y107 F111 G112	Y107-P109 HydrophobicContact CD1-CG 4.38Å; Y107-P109 HydrophobicContact CE1-CB 4.28Å; Y107-P109 HydrophobicContact CE1-CG 3.85Å; P109-F111 PolarHBondContact O-N 3.25Å; P109-G112 PolarHBondContact O-N 2.78Å
110	R	60.6	Low	77.9	Confident	229 Å²	229	55.1 Å²	55.1	86%	0.864	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-59	-26.9	179.1	-71.5	-166.4	-94.4	-167	-2.6	114.2	Q108	Q108-R110 PolarHBondContact O-N 2.99Å
111	F	63.4	Low	77.6	Confident	126 Å²	126	56 Å²	56	55%	0.553	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-102.6	-3.2	180	-63.4	-65.1	0	0	0	113.7	Q108 P109 Y113	Q108-F111 HydrophobicContact CB-CD2 4Å; Q108-F111 PolarHBondContact O-N 3.37Å; P109-F111 PolarHBondContact O-N 3.25Å; F111-Y113 HydrophobicContact CB-CD1 3.82Å; F111-Y113 HydrophobicContact CB-CD2 4.35Å; F111-Y113 HydrophobicContact CB-CE1 3.36Å; F111-Y113 HydrophobicContact CB-CE2 3.96Å; F111-Y113 HydrophobicContact CB-CG 4.31Å; F111-Y113 VanDerWaalsContact CB-CZ 3.46Å; F111-Y113 HydrophobicContact CD2-CE1 4.46Å; F111-Y113 HydrophobicContact CD2-CE2 4.26Å; F111-Y113 AromaticContact CD2-CZ 3.78Å; F111-Y113 VanDerWaalsContact CD2-OH 3.32Å; F111-Y113 WeakPolarHBondContact CD2-OH 3.23Å; F111-Y113 HydrophobicContact CG-CE1 4.07Å; F111-Y113 AromaticContact CG-CZ 3.86Å; F111-Y113 PolarHBondContact O-N 3.38Å
112	G	61	Low	77.2	Confident	43 Å²	43	59.4 Å²	59.4	44%	0.443	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	21.3	171.2	0	0	0	0	0	116.2	P109 R114	P109-G112 PolarHBondContact O-N 2.78Å; G112-R114 PolarHBondContact O-N 3.13Å
113	Y	67.4	Low	76.5	Confident	18 Å²	18	60.4 Å²	60.4	7%	0.071	29%	0.288	C	S	.	.			trans	-51.1	127	-173.1	-53.9	-50.5	0	0	0	112.6	Y107 Q108 F111 G140 P142 N145 Y199	Y107-Y113 HydrophobicContact CD2-CD2 4.43Å; Y107-Y113 WeakPolarHBondContact CE2-O 3.43Å; Q108-Y113 HydrophobicContact CB-CE2 4.43Å; F111-Y113 HydrophobicContact CB-CD1 3.82Å; F111-Y113 HydrophobicContact CB-CD2 4.35Å; F111-Y113 HydrophobicContact CB-CE1 3.36Å; F111-Y113 HydrophobicContact CB-CE2 3.96Å; F111-Y113 HydrophobicContact CB-CG 4.31Å; F111-Y113 VanDerWaalsContact CB-CZ 3.46Å; F111-Y113 HydrophobicContact CD2-CE1 4.46Å; F111-Y113 HydrophobicContact CD2-CE2 4.26Å; F111-Y113 AromaticContact CD2-CZ 3.78Å; F111-Y113 VanDerWaalsContact CD2-OH 3.32Å; F111-Y113 WeakPolarHBondContact CD2-OH 3.23Å; F111-Y113 HydrophobicContact CG-CE1 4.07Å; F111-Y113 AromaticContact CG-CZ 3.86Å; F111-Y113 PolarHBondContact O-N 3.38Å; Y113-G140 WeakPolarHBondContact CE1-O 3.42Å; Y113-P142 HydrophobicContact CD1-CG 3.96Å; Y113-P142 HydrophobicContact CD2-CG 3.77Å; Y113-P142 HydrophobicContact CE1-CG 4.21Å; Y113-P142 HydrophobicContact CE2-CG 4.05Å; Y113-P142 HydrophobicContact CG-CG 3.7Å; Y113-N145 PolarHBondContact OH-ND2 2.79Å; Y113-Y199 HydrophobicContact CD2-CD1 4.31Å; Y113-Y199 VanDerWaalsContact O-O 3.05Å
114	R	70.6	Confident	75.4	Confident	143 Å²	143	58.1 Å²	58.1	54%	0.54	28%	0.282	S	S	.	.			trans	-99.8	-13.6	177.3	-65.1	177.9	173.8	172.9	-3.2	114.2	G112 E275	G112-R114 PolarHBondContact O-N 3.13Å; R114-E275 VanDerWaalsContact NH1-CD 3.31Å; R114-E275 IonicContact NH1-OE1 2.59Å; R114-E275 PolarHBondContact NH1-OE1 3.24Å; R114-E275 IonicContact NH1-OE2 3.16Å; R114-E275 PolarHBondContact NH1-OE2 3.4Å; R114-E275 VanDerWaalsContact NH1-OE2 3.08Å
115	R	83.1	Confident	73.9	Confident	47 Å²	47	62.1 Å²	62.1	18%	0.177	30%	0.302	C	S	.	.	S	Bend	trans	-160.3	170.4	-175.2	59.2	179.7	178.7	-170.2	-2.5	110	G117 E138 P142 N196 V273 Y348	R115-G117 VanDerWaalsContact C-N 3.34Å; R115-E138 IonicContact CZ-OE1 3.2Å; R115-E138 IonicContact CZ-OE2 3.55Å; R115-E138 VanDerWaalsContact NE-CD 3.34Å; R115-E138 IonicContact NE-OE1 2.75Å; R115-E138 PolarHBondContact NE-OE1 3.35Å; R115-E138 IonicContact NE-OE2 3.93Å; R115-E138 PolarHBondContact NE-OE2 2.81Å; R115-E138 IonicContact NH2-OE1 2.73Å; R115-E138 PolarHBondContact NH2-OE1 2.94Å; R115-E138 IonicContact NH2-OE2 3.25Å; R115-E138 PolarHBondContact NH2-OE2 3.09Å; R115-P142 WeakPolarHBondContact O-CD 3.47Å; R115-N196 HydrophobicContact CB-CB 4.46Å; R115-N196 WeakPolarHBondContact CB-OD1 3.4Å; R115-V273 PolarHBondContact NH2-O 3.12Å; R115-Y348 VanDerWaalsContact NH1-CD1 3.28Å
116	S	86.6	Confident	72.3	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.007	33%	0.332	C	S	.	.			trans	-67.6	-30.6	175.6	60.3	0	0	0	0	114	I118 P142 A143 N196	S116-I118 PolarHBondContact OG-N 3.45Å; S116-P142 WeakPolarHBondContact O-CD 3.36Å; S116-A143 WeakPolarHBondContact O-CB 3.44Å; S116-A143 PolarHBondContact O-N 2.79Å; S116-N196 WeakPolarHBondContact CB-OD1 3.05Å; S116-N196 PolarHBondContact N-OD1 3.47Å; S116-N196 PolarHBondContact OG-OD1 2.82Å
117	G	83.5	Confident	70.8	Confident	4 Å²	4	66.3 Å²	66.3	4%	0.041	32%	0.32	C	S	.	.			trans	80.3	4.4	-175.7	0	0	0	0	0	116	R115 V119 V137 E138	R115-G117 VanDerWaalsContact C-N 3.34Å; G117-V119 PolarHBondContact O-N 3.27Å; G117-V137 WeakPolarHBondContact O-CA 3.48Å; G117-E138 WeakPolarHBondContact CA-OE2 3.13Å; G117-E138 PolarHBondContact O-N 3.26Å
118	I	88.1	Confident	70	Confident	12 Å²	12	66.8 Å²	66.8	6%	0.062	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	126.1	171.1	-53.3	-174.8	0	0	0	109.4	L104 S116 L120 V134 A143 L149 L195 L234	L104-I118 HydrophobicContact CD1-CD1 4.3Å; L104-I118 HydrophobicContact CD2-CD1 4.48Å; S116-I118 PolarHBondContact OG-N 3.45Å; I118-L120 HydrophobicContact CG2-CD2 3.73Å; I118-L120 HydrophobicContact CG2-CG 4.42Å; I118-V134 HydrophobicContact CG2-CG1 4.38Å; I118-V134 HydrophobicContact CG2-CG2 4.2Å; I118-A143 HydrophobicContact CB-CB 4.47Å; I118-A143 HydrophobicContact CD1-CB 4.48Å; I118-A143 HydrophobicContact CG1-CB 3.47Å; I118-A143 VanDerWaalsContact CG1-CB 3.47Å; I118-L149 HydrophobicContact CD1-CD1 4.01Å; I118-L149 HydrophobicContact CG1-CD1 4.17Å; I118-L195 HydrophobicContact CB-CD1 4.24Å; I118-L195 HydrophobicContact CD1-CD1 4.23Å; I118-L195 HydrophobicContact CD1-CD2 3.86Å; I118-L234 HydrophobicContact CD1-CD1 4.21Å; I118-L234 HydrophobicContact CD1-CD2 3.56Å
119	V	83.5	Confident	70.1	Confident	7 Å²	7	64.4 Å²	64.4	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119	174.2	-165.6	0	0	0	0	108.9	G117 S135 G136 E271 V273 Q350	G117-V119 PolarHBondContact O-N 3.27Å; V119-S135 PolarHBondContact O-N 3.02Å; V119-G136 WeakPolarHBondContact CB-O 3.35Å; V119-G136 PolarHBondContact N-O 2.96Å; V119-G136 PolarHBondContact O-N 3.5Å; V119-E271 HydrophobicContact CG1-CG 4.42Å; V119-E271 VanDerWaalsContact CG1-OE2 3.31Å; V119-E271 WeakPolarHBondContact CG1-OE2 3.29Å; V119-V273 HydrophobicContact CB-CG2 4.3Å; V119-V273 HydrophobicContact CG1-CG2 3.76Å; V119-V273 HydrophobicContact CG2-CG2 3.54Å; V119-Q350 HydrophobicContact CG1-CG 3.97Å
120	L	87.5	Confident	70.6	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	137.8	-174.3	-62.7	-179.1	0	0	0	112.4	I118 L132 F133 I155 Y188 A191 L195 Y324	I118-L120 HydrophobicContact CG2-CD2 3.73Å; I118-L120 HydrophobicContact CG2-CG 4.42Å; L120-L132 HydrophobicContact CD1-CD1 4.45Å; L120-F133 WeakPolarHBondContact CA-O 3.04Å; L120-I155 HydrophobicContact CD2-CD1 3.4Å; L120-Y188 HydrophobicContact CB-CD2 4.2Å; L120-Y188 HydrophobicContact CB-CE2 3.87Å; L120-A191 HydrophobicContact CD1-CB 3.86Å; L120-L195 HydrophobicContact CD1-CD1 4.06Å; L120-L195 HydrophobicContact CD2-CD1 4.49Å; L120-Y324 WeakPolarHBondContact O-CE1 3.35Å; L120-Y324 PolarHBondContact O-OH 2.87Å
121	R	79.9	Confident	71.5	Confident	56 Å²	56	54.4 Å²	54.4	21%	0.211	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.1	159	-84.4	178.6	-169.5	-103.9	-18	110.9	L132 F133 S135 E271 E321 Y324	R121-L132 CarbonylContact O-C 3.58Å; R121-L132 WeakPolarHBondContact O-CA 3.48Å; R121-F133 PolarHBondContact N-O 2.97Å; R121-F133 PolarHBondContact O-N 3.5Å; R121-S135 WeakPolarHBondContact CD-OG 3.44Å; R121-S135 WeakPolarHBondContact CG-OG 3.37Å; R121-S135 PolarHBondContact NE-OG 2.99Å; R121-E271 IonicContact CZ-OE1 3.55Å; R121-E271 IonicContact NE-OE1 2.68Å; R121-E271 PolarHBondContact NE-OE1 2.71Å; R121-E271 IonicContact NH2-OE1 3.56Å; R121-E271 PolarHBondContact NH2-OE1 2.61Å; R121-E321 IonicContact CZ-OE1 2.82Å; R121-E321 IonicContact CZ-OE2 2.87Å; R121-E321 VanDerWaalsContact NH1-CD 3.26Å; R121-E321 IonicContact NH1-OE1 3.82Å; R121-E321 PolarHBondContact NH1-OE1 2.88Å; R121-E321 IonicContact NH1-OE2 2.75Å; R121-E321 PolarHBondContact NH1-OE2 3.27Å; R121-E321 VanDerWaalsContact NH2-CD 3.3Å; R121-E321 IonicContact NH2-OE1 3.74Å; R121-E321 PolarHBondContact NH2-OE1 3.18Å; R121-E321 IonicContact NH2-OE2 2.88Å; R121-E321 PolarHBondContact NH2-OE2 3.45Å; R121-Y324 HydrophobicContact CG-CE1 4.13Å
122	Q	80.8	Confident	72.7	Confident	92 Å²	92	48.4 Å²	48.4	43%	0.43	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.1	173.7	50.9	-178.7	31.6	0	0	110.3	V124 V129 N131 L132	Q122-V124 HydrophobicContact CB-CG2 4.28Å; Q122-V124 HydrophobicContact CG-CG2 3.88Å; Q122-V129 HydrophobicContact CB-CG1 3.76Å; Q122-V129 HydrophobicContact CB-CG2 4.04Å; Q122-V129 HydrophobicContact CG-CG2 4.49Å; Q122-N131 WeakPolarHBondContact CA-O 3.47Å; Q122-L132 HydrophobicContact CB-CD2 4.01Å
123	A	72.3	Confident	73.9	Confident	31 Å²	31	48.6 Å²	48.6	26%	0.256	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.3	159.6	0	0	0	0	0	107.9	E130 N131 F133	A123-E130 PolarHBondContact O-N 3.36Å; A123-E130 VanDerWaalsContact O-N 3.14Å; A123-N131 HydrophobicContact CB-CB 4.3Å; A123-N131 PolarHBondContact N-O 3.35Å; A123-F133 HydrophobicContact CB-CD2 4.39Å; A123-F133 HydrophobicContact CB-CE2 3.71Å
124	V	67.3	Low	74.9	Confident	67 Å²	67	47.8 Å²	47.8	41%	0.406	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.8	179.9	-178.5	0	0	0	0	108.5	Q122 G127 E128 V129	Q122-V124 HydrophobicContact CB-CG2 4.28Å; Q122-V124 HydrophobicContact CG-CG2 3.88Å; V124-G127 VanDerWaalsContact CG1-C 3.41Å; V124-G127 VanDerWaalsContact CG1-O 3.27Å; V124-G127 WeakPolarHBondContact CG1-O 3.42Å; V124-E128 CarbonylContact C-O 3.48Å; V124-E128 WeakPolarHBondContact CA-O 3.07Å; V124-V129 HydrophobicContact CG2-CG2 4.33Å
125	I	56.3	Low	75.3	Confident	84 Å²	84	41.6 Å²	41.6	43%	0.431	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115	-179.6	-69.3	172	0	0	0	107.3	G127 E128 E130	I125-G127 VanDerWaalsContact C-N 3.34Å; I125-G127 PolarHBondContact O-N 3.32Å; I125-E128 PolarHBondContact N-O 3.14Å; I125-E128 PolarHBondContact O-N 2.85Å; I125-E130 HydrophobicContact CB-CB 4.41Å; I125-E130 HydrophobicContact CD1-CB 4.29Å; I125-E130 WeakPolarHBondContact CD1-OE2 3.2Å
126	K	50.5	Low	74.9	Confident	168 Å²	168	39.5 Å²	39.5	73%	0.73	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	52.6	-174.2	-53.4	178.2	-178.8	178.9	0	111.5	E128 S865	K126-E128 PolarHBondContact O-N 2.72Å; K126-S865 WeakPolarHBondContact O-CA 3.48Å; K126-S865 WeakPolarHBondContact O-CB 3.12Å; K126-S865 PolarHBondContact O-OG 3.08Å
127	G	48.8	Very low	74.6	Confident	17 Å²	17	41 Å²	41	18%	0.175	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	-31.1	-179.5	0	0	0	0	0	115.6	V124 I125 A767 G768	V124-G127 VanDerWaalsContact CG1-C 3.41Å; V124-G127 VanDerWaalsContact CG1-O 3.27Å; V124-G127 WeakPolarHBondContact CG1-O 3.42Å; I125-G127 VanDerWaalsContact C-N 3.34Å; I125-G127 PolarHBondContact O-N 3.32Å; G127-A767 CarbonylContact O-C 3.55Å; G127-G768 WeakPolarHBondContact O-CA 3.39Å; G127-G768 PolarHBondContact O-N 2.75Å
128	E	52.7	Low	74.2	Confident	86 Å²	86	42.2 Å²	42.2	40%	0.402	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	141.2	179.8	-64.8	-165.5	135.1	0	0	112.1	V124 I125 K126 E130 I864	V124-E128 CarbonylContact C-O 3.48Å; V124-E128 WeakPolarHBondContact CA-O 3.07Å; I125-E128 PolarHBondContact N-O 3.14Å; I125-E128 PolarHBondContact O-N 2.85Å; K126-E128 PolarHBondContact O-N 2.72Å; E128-E130 PolarHBondContact O-N 2.83Å; E128-I864 HydrophobicContact CG-CG2 3.78Å
129	V	68.7	Low	73.6	Confident	18 Å²	18	46.6 Å²	46.6	11%	0.109	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	95.1	168.4	178.4	0	0	0	0	107.7	Q122 V124 L132 I187	Q122-V129 HydrophobicContact CB-CG1 3.76Å; Q122-V129 HydrophobicContact CB-CG2 4.04Å; Q122-V129 HydrophobicContact CG-CG2 4.49Å; V124-V129 HydrophobicContact CG2-CG2 4.33Å; V129-L132 HydrophobicContact CG1-CD2 4.06Å; V129-L132 HydrophobicContact CG1-CG 4.22Å; V129-I187 HydrophobicContact CB-CB 4.4Å; V129-I187 HydrophobicContact CG1-CB 4.19Å; V129-I187 HydrophobicContact CG1-CG2 3.8Å; V129-I187 WeakPolarHBondContact O-CD1 3.29Å
130	E	70.6	Confident	73.1	Confident	98 Å²	98	48.1 Å²	48.1	46%	0.458	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-39.8	177.2	-164.1	-164.1	109.9	0	0	110.3	A123 I125 E128	A123-E130 PolarHBondContact O-N 3.36Å; A123-E130 VanDerWaalsContact O-N 3.14Å; I125-E130 HydrophobicContact CB-CB 4.41Å; I125-E130 HydrophobicContact CD1-CB 4.29Å; I125-E130 WeakPolarHBondContact CD1-OE2 3.2Å; E128-E130 PolarHBondContact O-N 2.83Å
131	N	79.9	Confident	72.8	Confident	21 Å²	21	48.2 Å²	48.2	11%	0.112	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	142.6	-168.5	-63.4	-56.7	0	0	0	112.8	Q122 A123 F133 R154	Q122-N131 WeakPolarHBondContact CA-O 3.47Å; A123-N131 HydrophobicContact CB-CB 4.3Å; A123-N131 PolarHBondContact N-O 3.35Å; N131-F133 HydrophobicContact CB-CD2 4.37Å; N131-F133 HydrophobicContact CB-CE2 3.55Å; N131-F133 HydrophobicContact CB-CZ 4.05Å; N131-R154 PolarHBondContact OD1-NE 3.24Å; N131-R154 PolarHBondContact OD1-NH2 2.96Å
132	L	87.8	Confident	73.1	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.2	171.1	-70.6	169.6	0	0	0	110.9	L120 R121 Q122 V129 R154 I155 L163 I187 Y188 A191	L120-L132 HydrophobicContact CD1-CD1 4.45Å; R121-L132 CarbonylContact O-C 3.58Å; R121-L132 WeakPolarHBondContact O-CA 3.48Å; Q122-L132 HydrophobicContact CB-CD2 4.01Å; V129-L132 HydrophobicContact CG1-CD2 4.06Å; V129-L132 HydrophobicContact CG1-CG 4.22Å; L132-R154 CarbonylContact O-C 3.55Å; L132-R154 WeakPolarHBondContact O-CA 3.38Å; L132-I155 PolarHBondContact O-N 3.29Å; L132-L163 HydrophobicContact CD1-CD1 4.01Å; L132-I187 HydrophobicContact CD1-CG2 3.44Å; L132-I187 VanDerWaalsContact CD1-CG2 3.44Å; L132-I187 HydrophobicContact CG-CG2 3.79Å; L132-Y188 HydrophobicContact CD2-CD2 3.84Å; L132-Y188 HydrophobicContact CD2-CG 4.48Å; L132-A191 HydrophobicContact CD1-CB 3.43Å; L132-A191 VanDerWaalsContact CD1-CB 3.43Å
133	F	86.8	Confident	73.3	Confident	47 Å²	47	41.3 Å²	41.3	21%	0.206	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.4	-178.9	-63	-97	0	0	0	110.3	L120 R121 A123 N131 S135 D153 R154 Y239	L120-F133 WeakPolarHBondContact CA-O 3.04Å; R121-F133 PolarHBondContact N-O 2.97Å; R121-F133 PolarHBondContact O-N 3.5Å; A123-F133 HydrophobicContact CB-CD2 4.39Å; A123-F133 HydrophobicContact CB-CE2 3.71Å; N131-F133 HydrophobicContact CB-CD2 4.37Å; N131-F133 HydrophobicContact CB-CE2 3.55Å; N131-F133 HydrophobicContact CB-CZ 4.05Å; F133-S135 PolarHBondContact O-N 3.24Å; F133-D153 CarbonylContact C-O 3.55Å; F133-D153 VanDerWaalsContact CA-O 3.27Å; F133-D153 WeakPolarHBondContact CA-O 3.47Å; F133-R154 HydrophobicContact CD1-CB 3.88Å; F133-R154 HydrophobicContact CE1-CB 3.7Å; F133-R154 HydrophobicContact CE1-CG 4.15Å; F133-R154 HydrophobicContact CZ-CB 4.36Å; F133-R154 HydrophobicContact CZ-CG 4.31Å; F133-Y239 HydrophobicContact CE1-CE2 4.49Å
134	V	86.7	Confident	73.8	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	119.4	164.1	-179.1	0	0	0	0	107.2	I118 V137 L149 M151 G152 D153 I155	I118-V134 HydrophobicContact CG2-CG1 4.38Å; I118-V134 HydrophobicContact CG2-CG2 4.2Å; V134-V137 HydrophobicContact CG1-CG2 4.36Å; V134-L149 HydrophobicContact CG2-CD2 4.15Å; V134-M151 WeakPolarHBondContact O-CA 3.25Å; V134-G152 PolarHBondContact O-N 3.35Å; V134-D153 HydrophobicContact CB-CB 4.24Å; V134-D153 HydrophobicContact CG2-CB 4.1Å; V134-D153 PolarHBondContact N-O 2.72Å; V134-I155 HydrophobicContact CG2-CD1 4.07Å; V134-I155 HydrophobicContact CG2-CG1 4.06Å
135	S	79.4	Confident	74.3	Confident	13 Å²	13	42.3 Å²	42.3	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-26.9	-176.2	-179	0	0	0	0	112.1	V119 R121 F133 M151 E271	V119-S135 PolarHBondContact O-N 3.02Å; R121-S135 WeakPolarHBondContact CD-OG 3.44Å; R121-S135 WeakPolarHBondContact CG-OG 3.37Å; R121-S135 PolarHBondContact NE-OG 2.99Å; F133-S135 PolarHBondContact O-N 3.24Å; S135-M151 WeakPolarHBondContact O-CE 3.23Å; S135-M151 WeakPolarHBondContact O-CG 3.34Å; S135-E271 WeakPolarHBondContact CB-OE2 3.25Å; S135-E271 VanDerWaalsContact OG-CD 3.25Å; S135-E271 PolarHBondContact OG-OE1 3.16Å; S135-E271 PolarHBondContact OG-OE2 2.75Å
136	G	75.1	Confident	75.2	Confident	2 Å²	2	39 Å²	39	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	175.7	175.6	0	0	0	0	0	110.8	V119 E271	V119-G136 WeakPolarHBondContact CB-O 3.35Å; V119-G136 PolarHBondContact N-O 2.96Å; V119-G136 PolarHBondContact O-N 3.5Å; G136-E271 VanDerWaalsContact CA-O 3.31Å; G136-E271 WeakPolarHBondContact CA-O 3.4Å
137	V	80.4	Confident	75.7	Confident	34 Å²	34	39.6 Å²	39.6	21%	0.206	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	125	176.8	174.1	0	0	0	0	108	G117 V134 A143 S144 L149	G117-V137 WeakPolarHBondContact O-CA 3.48Å; V134-V137 HydrophobicContact CG1-CG2 4.36Å; V137-A143 VanDerWaalsContact CG1-C 3.49Å; V137-A143 HydrophobicContact CG1-CB 3.73Å; V137-S144 VanDerWaalsContact CG1-N 3.27Å; V137-L149 HydrophobicContact CG2-CB 4.4Å
138	E	75.9	Confident	76.9	Confident	29 Å²	29	41.3 Å²	41.3	14%	0.136	22%	0.223	C	C	.	.			trans	-65	130.3	174	172.6	179.7	-142.6	0	0	110.3	R115 G117 S141 S144	R115-E138 IonicContact CZ-OE1 3.2Å; R115-E138 IonicContact CZ-OE2 3.55Å; R115-E138 VanDerWaalsContact NE-CD 3.34Å; R115-E138 IonicContact NE-OE1 2.75Å; R115-E138 PolarHBondContact NE-OE1 3.35Å; R115-E138 IonicContact NE-OE2 3.93Å; R115-E138 PolarHBondContact NE-OE2 2.81Å; R115-E138 IonicContact NH2-OE1 2.73Å; R115-E138 PolarHBondContact NH2-OE1 2.94Å; R115-E138 IonicContact NH2-OE2 3.25Å; R115-E138 PolarHBondContact NH2-OE2 3.09Å; G117-E138 WeakPolarHBondContact CA-OE2 3.13Å; G117-E138 PolarHBondContact O-N 3.26Å; E138-S141 WeakPolarHBondContact O-CB 3.38Å; E138-S141 PolarHBondContact O-N 2.96Å; E138-S141 PolarHBondContact O-OG 3.03Å; E138-S144 WeakPolarHBondContact O-CB 3.22Å
139	H	74.2	Confident	78.3	Confident	104 Å²	104	38.3 Å²	38.3	48%	0.481	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	146.6	-175.9	-178.1	-116.8	0	0	0	112.6	S141 R309 D310 V312	H139-S141 PolarHBondContact O-N 3.41Å; H139-R309 PolarHBondContact ND1-O 3.4Å; H139-R309 VanDerWaalsContact ND1-O 3.09Å; H139-D310 HydrophobicContact CB-CB 4.44Å; H139-D310 WeakPolarHBondContact CB-O 3.28Å; H139-D310 VanDerWaalsContact CB-OD1 3.28Å; H139-D310 WeakPolarHBondContact CB-OD1 3.39Å; H139-D310 PolarHBondContact N-OD1 3.41Å; H139-D310 PolarHBondContact ND1-O 3.11Å; H139-D310 VanDerWaalsContact ND1-O 3.15Å; H139-V312 HydrophobicContact CB-CG2 4.13Å
140	G	74	Confident	78.6	Confident	38 Å²	38	40.6 Å²	40.6	39%	0.392	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	-2.7	-176.7	0	0	0	0	0	115.1	Y113 S144	Y113-G140 WeakPolarHBondContact CE1-O 3.42Å; G140-S144 PolarHBondContact N-OG 2.84Å
141	S	80.2	Confident	78.9	Confident	6 Å²	6	39.9 Å²	39.9	4%	0.042	22%	0.216	C	C	.	.	S	Bend	trans	-72.4	166.9	177.3	73.8	0	0	0	0	113.1	E138 H139 A143 S144 N145	E138-S141 WeakPolarHBondContact O-CB 3.38Å; E138-S141 PolarHBondContact O-N 2.96Å; E138-S141 PolarHBondContact O-OG 3.03Å; H139-S141 PolarHBondContact O-N 3.41Å; S141-A143 PolarHBondContact O-N 2.65Å; S141-A143 PolarHBondContact OG-N 3.04Å; S141-S144 WeakPolarHBondContact O-CB 3.23Å; S141-S144 PolarHBondContact O-N 3.15Å; S141-S144 PolarHBondContact OG-N 3.02Å; S141-S144 VanDerWaalsContact OG-N 3.14Å; S141-N145 PolarHBondContact O-N 3.45Å; S141-N145 PolarHBondContact O-ND2 3.45Å
142	P	86	Confident	78.7	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-51.1	-37.9	170	-27.9	36.1	0	0	0	113.3	P105 Y113 R115 S116 N145 A146 Y199	P105-P142 WeakPolarHBondContact CD-O 3.24Å; P105-P142 HydrophobicContact CG-CB 3.93Å; P105-P142 WeakPolarHBondContact CG-O 3.12Å; Y113-P142 HydrophobicContact CD1-CG 3.96Å; Y113-P142 HydrophobicContact CD2-CG 3.77Å; Y113-P142 HydrophobicContact CE1-CG 4.21Å; Y113-P142 HydrophobicContact CE2-CG 4.05Å; Y113-P142 HydrophobicContact CG-CG 3.7Å; R115-P142 WeakPolarHBondContact O-CD 3.47Å; S116-P142 WeakPolarHBondContact O-CD 3.36Å; P142-N145 PolarHBondContact O-N 2.87Å; P142-A146 PolarHBondContact O-N 3.49Å; P142-A146 VanDerWaalsContact O-N 3.07Å; P142-Y199 HydrophobicContact CB-CE1 3.81Å; P142-Y199 HydrophobicContact CB-CE2 4.32Å; P142-Y199 HydrophobicContact CG-CD1 3.81Å; P142-Y199 HydrophobicContact CG-CE1 3.46Å; P142-Y199 VanDerWaalsContact CG-CE1 3.46Å; P142-Y199 HydrophobicContact CG-CE2 4.3Å; P142-Y199 HydrophobicContact CG-CG 4.38Å
143	A	86.8	Confident	78.7	Confident	2 Å²	2	39.8 Å²	39.8	2%	0.017	22%	0.221	C	C	.	.	H	α-helix	trans	-70.4	-34.4	176	0	0	0	0	0	113.7	L104 S116 I118 V137 S141 N145 A146 L149	L104-A143 HydrophobicContact CD2-CB 4.43Å; S116-A143 WeakPolarHBondContact O-CB 3.44Å; S116-A143 PolarHBondContact O-N 2.79Å; I118-A143 HydrophobicContact CB-CB 4.47Å; I118-A143 HydrophobicContact CD1-CB 4.48Å; I118-A143 HydrophobicContact CG1-CB 3.47Å; I118-A143 VanDerWaalsContact CG1-CB 3.47Å; V137-A143 VanDerWaalsContact CG1-C 3.49Å; V137-A143 HydrophobicContact CG1-CB 3.73Å; S141-A143 PolarHBondContact O-N 2.65Å; S141-A143 PolarHBondContact OG-N 3.04Å; A143-N145 VanDerWaalsContact C-N 3.29Å; A143-A146 PolarHBondContact O-N 3.07Å; A143-L149 HydrophobicContact CB-CD1 3.95Å
144	S	81.2	Confident	78.8	Confident	40 Å²	40	40.4 Å²	40.4	28%	0.28	22%	0.221	S	C	.	.	H	α-helix	trans	-66.7	-34.5	173.8	-172.6	0	0	0	0	111.6	V137 E138 G140 S141 A146	V137-S144 VanDerWaalsContact CG1-N 3.27Å; E138-S144 WeakPolarHBondContact O-CB 3.22Å; G140-S144 PolarHBondContact N-OG 2.84Å; S141-S144 WeakPolarHBondContact O-CB 3.23Å; S141-S144 PolarHBondContact O-N 3.15Å; S141-S144 PolarHBondContact OG-N 3.02Å; S141-S144 VanDerWaalsContact OG-N 3.14Å; S144-A146 VanDerWaalsContact C-N 3.35Å
145	N	79	Confident	79	Confident	79 Å²	79	40.6 Å²	40.6	42%	0.422	22%	0.222	S	C	.	.	H	α-helix	trans	-79.7	-20.3	179.5	-62.9	-21.2	0	0	0	111.9	P105 Y113 S141 P142 A143 M147	P105-N145 HydrophobicContact CG-CB 4.23Å; Y113-N145 PolarHBondContact OH-ND2 2.79Å; S141-N145 PolarHBondContact O-N 3.45Å; S141-N145 PolarHBondContact O-ND2 3.45Å; P142-N145 PolarHBondContact O-N 2.87Å; A143-N145 VanDerWaalsContact C-N 3.29Å; N145-M147 VanDerWaalsContact C-N 3.31Å; N145-M147 PolarHBondContact O-N 3.49Å; N145-M147 VanDerWaalsContact O-N 3.1Å
146	A	74.7	Confident	79.6	Confident	13 Å²	13	41.4 Å²	41.4	11%	0.107	22%	0.224	C	C	.	.	S	Bend	trans	-81.1	74.7	166.3	0	0	0	0	0	110.7	I102 L104 P142 A143 S144 D148 L149	I102-A146 HydrophobicContact CG2-CB 4.17Å; L104-A146 HydrophobicContact CD2-CB 3.66Å; P142-A146 PolarHBondContact O-N 3.49Å; P142-A146 VanDerWaalsContact O-N 3.07Å; A143-A146 PolarHBondContact O-N 3.07Å; S144-A146 VanDerWaalsContact C-N 3.35Å; A146-D148 PolarHBondContact O-N 3.08Å; A146-L149 PolarHBondContact O-N 3.33Å
147	M	60.6	Low	80.5	Confident	181 Å²	181	41.3 Å²	41.3	89%	0.892	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.7	-10.4	-169.3	-65.7	177.6	65.7	0	0	118.6	N145	N145-M147 VanDerWaalsContact C-N 3.31Å; N145-M147 PolarHBondContact O-N 3.49Å; N145-M147 VanDerWaalsContact O-N 3.1Å
148	D	73.6	Confident	81.1	Confident	54 Å²	54	39.7 Å²	39.7	29%	0.289	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-6.3	-166.9	-121	25.3	0	0	0	114.6	I102 A146 R238 V644	I102-D148 HydrophobicContact CD1-CB 4.11Å; I102-D148 HydrophobicContact CG1-CB 4.43Å; A146-D148 PolarHBondContact O-N 3.08Å; D148-R238 PolarHBondContact O-NH2 3.23Å; D148-V644 WeakPolarHBondContact OD2-CG1 3.21Å
149	L	82.8	Confident	81.7	Confident	22 Å²	22	40.2 Å²	40.2	12%	0.115	22%	0.22	C	C	.	.			trans	-72.7	135.5	177.4	-72.6	166.6	0	0	0	111.8	I102 L104 I118 V134 V137 A143 A146	I102-L149 HydrophobicContact CD1-CD2 3.64Å; I102-L149 HydrophobicContact CD1-CG 3.97Å; I102-L149 HydrophobicContact CG2-CD2 4.45Å; I102-L149 HydrophobicContact CG2-CG 4.31Å; L104-L149 HydrophobicContact CD2-CD1 4.25Å; I118-L149 HydrophobicContact CD1-CD1 4.01Å; I118-L149 HydrophobicContact CG1-CD1 4.17Å; V134-L149 HydrophobicContact CG2-CD2 4.15Å; V137-L149 HydrophobicContact CG2-CB 4.4Å; A143-L149 HydrophobicContact CB-CD1 3.95Å; A146-L149 PolarHBondContact O-N 3.33Å
150	Q	76.1	Confident	82.4	Confident	67 Å²	67	35.8 Å²	35.8	31%	0.313	20%	0.202	S	C	.	.			trans	-128	144.5	178.1	-64.2	-174	20.4	0	0	112.2	G152 D153	Q150-G152 PolarHBondContact O-N 3.13Å; Q150-D153 WeakPolarHBondContact CA-OD2 3.45Å; Q150-D153 PolarHBondContact N-OD2 3.36Å; Q150-D153 WeakPolarHBondContact O-CB 3.46Å; Q150-D153 PolarHBondContact O-N 3.07Å; Q150-D153 VanDerWaalsContact O-N 3.12Å; Q150-D153 VanDerWaalsContact O-OD2 3.13Å
151	M	75.9	Confident	83.2	Confident	82 Å²	82	35.4 Å²	35.4	40%	0.404	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	128.2	171.3	-60.8	172.3	76.9	0	0	109.9	V134 S135 C269 E271	V134-M151 WeakPolarHBondContact O-CA 3.25Å; S135-M151 WeakPolarHBondContact O-CE 3.23Å; S135-M151 WeakPolarHBondContact O-CG 3.34Å; M151-C269 HydrophobicContact CE-CB 4.19Å; M151-C269 WeakPolarHBondContact CE-O 3.48Å; M151-E271 HydrophobicContact CE-CB 4.37Å
152	G	75.8	Confident	83.7	Confident	19 Å²	19	35.1 Å²	35.1	20%	0.196	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	-3.7	-175.4	0	0	0	0	0	115.6	V134 Q150 R154	V134-G152 PolarHBondContact O-N 3.35Å; Q150-G152 PolarHBondContact O-N 3.13Å; G152-R154 PolarHBondContact O-N 3.43Å
153	D	87.3	Confident	83.9	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.011	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-68.4	123.7	173.5	-71.3	-28.3	0	0	0	111.2	F133 V134 Q150 I236 R238	F133-D153 CarbonylContact C-O 3.55Å; F133-D153 VanDerWaalsContact CA-O 3.27Å; F133-D153 WeakPolarHBondContact CA-O 3.47Å; V134-D153 HydrophobicContact CB-CB 4.24Å; V134-D153 HydrophobicContact CG2-CB 4.1Å; V134-D153 PolarHBondContact N-O 2.72Å; Q150-D153 WeakPolarHBondContact CA-OD2 3.45Å; Q150-D153 PolarHBondContact N-OD2 3.36Å; Q150-D153 WeakPolarHBondContact O-CB 3.46Å; Q150-D153 PolarHBondContact O-N 3.07Å; Q150-D153 VanDerWaalsContact O-N 3.12Å; Q150-D153 VanDerWaalsContact O-OD2 3.13Å; D153-I236 HydrophobicContact CB-CB 4.35Å; D153-I236 HydrophobicContact CB-CD1 3.87Å; D153-I236 VanDerWaalsContact OD2-CD1 3.26Å; D153-I236 WeakPolarHBondContact OD2-CD1 3.48Å; D153-R238 WeakPolarHBondContact OD1-CB 3.31Å; D153-R238 VanDerWaalsContact OD1-CG 3.31Å; D153-R238 WeakPolarHBondContact OD1-CG 3.46Å; D153-R238 IonicContact OD1-CZ 3.59Å; D153-R238 IonicContact OD1-NE 2.71Å; D153-R238 PolarHBondContact OD1-NE 2.98Å; D153-R238 IonicContact OD1-NH2 3.64Å; D153-R238 PolarHBondContact OD1-NH2 3.33Å; D153-R238 IonicContact OD2-CZ 3.83Å; D153-R238 IonicContact OD2-NE 3.76Å; D153-R238 IonicContact OD2-NH2 2.72Å; D153-R238 PolarHBondContact OD2-NH2 2.97Å
154	R	88.7	Confident	83.9	Confident	59 Å²	59	37.1 Å²	37.1	22%	0.223	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.3	175.6	178.5	-179.1	171.8	-173.4	1.9	109.9	N131 L132 F133 G152 I236 F237 Y239	N131-R154 PolarHBondContact OD1-NE 3.24Å; N131-R154 PolarHBondContact OD1-NH2 2.96Å; L132-R154 CarbonylContact O-C 3.55Å; L132-R154 WeakPolarHBondContact O-CA 3.38Å; F133-R154 HydrophobicContact CD1-CB 3.88Å; F133-R154 HydrophobicContact CE1-CB 3.7Å; F133-R154 HydrophobicContact CE1-CG 4.15Å; F133-R154 HydrophobicContact CZ-CB 4.36Å; F133-R154 HydrophobicContact CZ-CG 4.31Å; G152-R154 PolarHBondContact O-N 3.43Å; R154-I236 CarbonylContact O-C 3.54Å; R154-I236 VanDerWaalsContact O-CA 3.26Å; R154-I236 WeakPolarHBondContact O-CA 3.49Å; R154-F237 HydrophobicContact CB-CB 4.37Å; R154-F237 PolarHBondContact N-O 2.91Å; R154-F237 PolarHBondContact O-N 3.45Å; R154-Y239 HydrophobicContact CB-CE2 4.1Å; R154-Y239 VanDerWaalsContact CD-OH 3.3Å; R154-Y239 WeakPolarHBondContact CD-OH 3.43Å; R154-Y239 PolarHBondContact NH1-OH 3.29Å
155	I	91.9	Very high	83.7	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.9	177.3	-49	177.9	0	0	0	109.4	L120 L132 V134 I158 L163 L234 I236	L120-I155 HydrophobicContact CD2-CD1 3.4Å; L132-I155 PolarHBondContact O-N 3.29Å; V134-I155 HydrophobicContact CG2-CD1 4.07Å; V134-I155 HydrophobicContact CG2-CG1 4.06Å; I155-I158 HydrophobicContact CG2-CD1 4.15Å; I155-I158 HydrophobicContact CG2-CG1 3.79Å; I155-L163 HydrophobicContact CB-CD1 3.97Å; I155-L163 HydrophobicContact CG2-CD1 3.59Å; I155-L234 HydrophobicContact CD1-CD2 4.01Å; I155-L234 HydrophobicContact CG1-CD2 4.45Å; I155-L234 HydrophobicContact CG2-CD2 4.3Å; I155-I236 HydrophobicContact CG1-CG2 4.21Å
156	Y	91.9	Very high	83.7	Confident	31 Å²	31	40.4 Å²	40.4	12%	0.122	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-40.3	178.9	178.6	-105.4	0	0	0	113	L84 I88 L91 L163 V235 F237	L84-Y156 HydrophobicContact CD2-CE1 4.15Å; I88-Y156 HydrophobicContact CD1-CD1 3.87Å; I88-Y156 HydrophobicContact CD1-CE1 3.91Å; I88-Y156 HydrophobicContact CG1-CD1 3.94Å; I88-Y156 HydrophobicContact CG1-CE1 3.57Å; L91-Y156 HydrophobicContact CD1-CD2 4.39Å; L91-Y156 HydrophobicContact CD1-CE2 3.76Å; Y156-L163 PolarHBondContact O-N 3.06Å; Y156-V235 PolarHBondContact N-O 2.78Å; Y156-F237 HydrophobicContact CD1-CZ 4.19Å; Y156-F237 AromaticContact CD2-CE2 3.55Å; Y156-F237 HydrophobicContact CD2-CE2 3.55Å; Y156-F237 AromaticContact CD2-CZ 3.57Å; Y156-F237 HydrophobicContact CD2-CZ 3.57Å; Y156-F237 HydrophobicContact CE2-CE2 4.39Å; Y156-F237 HydrophobicContact CE2-CZ 4.25Å; Y156-F237 HydrophobicContact CG-CE1 4.33Å; Y156-F237 AromaticContact CG-CE2 3.83Å; Y156-F237 HydrophobicContact CG-CE2 3.83Å; Y156-F237 AromaticContact CG-CZ 3.53Å; Y156-F237 HydrophobicContact CG-CZ 3.53Å
157	S	92.9	Very high	84.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	149.2	179.5	63.3	0	0	0	0	112	Y161 L234 V235	S157-Y161 CarbonylContact C-O 3.51Å; S157-Y161 WeakPolarHBondContact CA-O 3.49Å; S157-Y161 WeakPolarHBondContact CB-O 3.47Å; S157-L234 WeakPolarHBondContact O-CA 3.45Å; S157-V235 PolarHBondContact N-O 3.15Å; S157-V235 PolarHBondContact O-N 3.32Å; S157-V235 WeakPolarHBondContact OG-CB 3.26Å; S157-V235 VanDerWaalsContact OG-CG2 3.26Å; S157-V235 WeakPolarHBondContact OG-CG2 3.5Å
158	I	92.8	Very high	85.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.7	177.5	-58.5	162.7	0	0	0	108.7	I155 G160 Y161 L163 A191 L194 L195 P232 V233 L234	I155-I158 HydrophobicContact CG2-CD1 4.15Å; I155-I158 HydrophobicContact CG2-CG1 3.79Å; I158-G160 PolarHBondContact O-N 2.98Å; I158-G160 VanDerWaalsContact O-N 3.09Å; I158-Y161 PolarHBondContact N-O 3.41Å; I158-Y161 WeakPolarHBondContact O-CB 3.44Å; I158-Y161 PolarHBondContact O-N 3.34Å; I158-L163 HydrophobicContact CD1-CD1 3.76Å; I158-L163 HydrophobicContact CD1-CD2 4.13Å; I158-L163 HydrophobicContact CD1-CG 4.46Å; I158-L163 HydrophobicContact CG1-CD1 4.11Å; I158-A191 HydrophobicContact CD1-CB 3.74Å; I158-L194 HydrophobicContact CB-CB 4.22Å; I158-L194 HydrophobicContact CB-CD1 4.24Å; I158-L194 HydrophobicContact CG2-CB 3.76Å; I158-L195 HydrophobicContact CD1-CD1 4.22Å; I158-L195 HydrophobicContact CD1-CD2 4.08Å; I158-L195 HydrophobicContact CD1-CG 3.91Å; I158-L195 HydrophobicContact CG1-CD2 4.39Å; I158-L195 HydrophobicContact CG2-CD2 3.91Å; I158-L195 HydrophobicContact CG2-CG 4.39Å; I158-P232 HydrophobicContact CG2-CB 4.18Å; I158-V233 CarbonylContact C-O 3.47Å; I158-L234 HydrophobicContact CG1-CG 4.42Å
159	S	89.9	Confident	85.4	Confident	40 Å²	40	31 Å²	31	28%	0.28	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	32.2	179.2	-58.8	0	0	0	0	114.4	P78 P232 V233	P78-S159 VanDerWaalsContact CB-O 3.3Å; P78-S159 WeakPolarHBondContact CB-O 3.38Å; S159-P232 WeakPolarHBondContact OG-CA 3.44Å; S159-V233 PolarHBondContact N-O 3.03Å
160	G	88.4	Confident	85.4	Confident	11 Å²	11	31.7 Å²	31.7	11%	0.113	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	-11.1	-177.4	0	0	0	0	0	115.4	F79 I158 P162	F79-G160 PolarHBondContact N-O 3.4Å; F79-G160 WeakPolarHBondContact O-CA 3.45Å; I158-G160 PolarHBondContact O-N 2.98Å; I158-G160 VanDerWaalsContact O-N 3.09Å; G160-P162 WeakPolarHBondContact O-CD 3.45Å
161	Y	91.8	Very high	85.6	Confident	30 Å²	30	28.9 Å²	28.9	12%	0.118	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	117.7	176.2	-63.1	-86	0	0	0	110.6	P77 P78 S157 I158 T167 I176 L194	P77-Y161 HydrophobicContact CB-CD1 3.61Å; P77-Y161 HydrophobicContact CB-CE1 4.01Å; P77-Y161 HydrophobicContact CB-CG 4.34Å; P77-Y161 HydrophobicContact CG-CD1 3.68Å; P77-Y161 HydrophobicContact CG-CE1 4.04Å; P78-Y161 HydrophobicContact CB-CD2 4.32Å; P78-Y161 HydrophobicContact CB-CE2 3.99Å; P78-Y161 HydrophobicContact CG-CE2 4.45Å; S157-Y161 CarbonylContact C-O 3.51Å; S157-Y161 WeakPolarHBondContact CA-O 3.49Å; S157-Y161 WeakPolarHBondContact CB-O 3.47Å; I158-Y161 PolarHBondContact N-O 3.41Å; I158-Y161 WeakPolarHBondContact O-CB 3.44Å; I158-Y161 PolarHBondContact O-N 3.34Å; Y161-T167 HydrophobicContact CD1-CG2 4.24Å; Y161-I176 HydrophobicContact CE1-CG2 3.74Å; Y161-L194 HydrophobicContact CD2-CD1 3.88Å; Y161-L194 HydrophobicContact CD2-CD2 3.67Å; Y161-L194 HydrophobicContact CD2-CG 4.46Å; Y161-L194 HydrophobicContact CE2-CD2 3.89Å; Y161-L194 HydrophobicContact CG-CD1 3.96Å; Y161-L194 HydrophobicContact CG-CD2 4.4Å
162	P	90.7	Very high	85.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	144.7	169	-16	29.1	0	0	0	111.1	F79 L84 G160 D164 T167	F79-P162 HydrophobicContact CD2-CG 3.56Å; F79-P162 HydrophobicContact CE2-CG 3.53Å; L84-P162 HydrophobicContact CD2-CG 4.43Å; G160-P162 WeakPolarHBondContact O-CD 3.45Å; P162-D164 HydrophobicContact CB-CB 4.39Å; P162-D164 PolarHBondContact O-N 3.41Å; P162-D164 VanDerWaalsContact O-N 3.1Å; P162-T167 VanDerWaalsContact O-CB 3.28Å; P162-T167 WeakPolarHBondContact O-CB 3.5Å; P162-T167 WeakPolarHBondContact O-CG2 3.34Å; P162-T167 PolarHBondContact O-OG1 2.81Å; P162-T167 VanDerWaalsContact O-OG1 3.11Å
163	L	90.1	Very high	85.6	Confident	16 Å²	16	32.5 Å²	32.5	8%	0.084	14%	0.144	C	C	.	.	S	Bend	trans	-89.5	59.3	173.6	-56	179.9	0	0	0	109	L132 I155 Y156 I158 I187 L190 A191	L132-L163 HydrophobicContact CD1-CD1 4.01Å; I155-L163 HydrophobicContact CB-CD1 3.97Å; I155-L163 HydrophobicContact CG2-CD1 3.59Å; Y156-L163 PolarHBondContact O-N 3.06Å; I158-L163 HydrophobicContact CD1-CD1 3.76Å; I158-L163 HydrophobicContact CD1-CD2 4.13Å; I158-L163 HydrophobicContact CD1-CG 4.46Å; I158-L163 HydrophobicContact CG1-CD1 4.11Å; L163-I187 HydrophobicContact CB-CG2 4.24Å; L163-L190 HydrophobicContact CD2-CD2 4.4Å; L163-A191 HydrophobicContact CD1-CB 4.31Å; L163-A191 HydrophobicContact CD2-CB 4.27Å
164	D	85.3	Confident	85	Confident	29 Å²	29	38.9 Å²	38.9	16%	0.155	17%	0.172	C	C	.	.	S	Bend	trans	-125.1	163.9	-177.1	79.7	-5.3	0	0	0	113.3	R87 P162 H166 T167 L168	R87-D164 IonicContact NH2-OD2 3.55Å; R87-D164 PolarHBondContact NH2-OD2 3.25Å; P162-D164 HydrophobicContact CB-CB 4.39Å; P162-D164 PolarHBondContact O-N 3.41Å; P162-D164 VanDerWaalsContact O-N 3.1Å; D164-H166 PolarHBondContact O-N 3.19Å; D164-H166 PolarHBondContact OD1-N 3.25Å; D164-H166 IonicContact OD1-ND1 3.32Å; D164-H166 IonicContact OD2-CE1 3.44Å; D164-H166 IonicContact OD2-CG 3.05Å; D164-H166 IonicContact OD2-ND1 2.77Å; D164-H166 PolarHBondContact OD2-ND1 3.04Å; D164-T167 PolarHBondContact O-N 3.42Å; D164-T167 VanDerWaalsContact O-N 3.13Å; D164-T167 WeakPolarHBondContact OD1-CB 3.49Å; D164-T167 PolarHBondContact OD1-N 3.12Å; D164-T167 PolarHBondContact OD1-OG1 2.87Å; D164-L168 PolarHBondContact O-N 2.7Å
165	W	76.8	Confident	84.5	Confident	135 Å²	135	38.2 Å²	38.2	51%	0.511	17%	0.173	S	C	.	.	H	α-helix	trans	-64.1	-27.6	-178.1	73.5	-94	0	0	0	113.1	T167 L168 E169	W165-T167 VanDerWaalsContact C-N 3.32Å; W165-L168 PolarHBondContact O-N 3.07Å; W165-E169 HydrophobicContact CE3-CB 4.45Å; W165-E169 WeakPolarHBondContact CZ3-OE2 3.29Å; W165-E169 WeakPolarHBondContact O-CB 3.22Å; W165-E169 PolarHBondContact O-N 2.82Å
166	H	80.4	Confident	83.9	Confident	52 Å²	52	38.6 Å²	38.6	24%	0.241	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-41.8	174.5	-53.4	105.1	0	0	0	110.8	D164 E169 Q170	D164-H166 PolarHBondContact O-N 3.19Å; D164-H166 PolarHBondContact OD1-N 3.25Å; D164-H166 IonicContact OD1-ND1 3.32Å; D164-H166 IonicContact OD2-CE1 3.44Å; D164-H166 IonicContact OD2-CG 3.05Å; D164-H166 IonicContact OD2-ND1 2.77Å; D164-H166 PolarHBondContact OD2-ND1 3.04Å; H166-E169 PolarHBondContact O-N 2.85Å; H166-Q170 WeakPolarHBondContact O-CB 3.18Å; H166-Q170 VanDerWaalsContact O-CG 3.25Å; H166-Q170 WeakPolarHBondContact O-CG 3.46Å; H166-Q170 PolarHBondContact O-N 2.89Å
167	T	85.1	Confident	82.9	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-68.1	-38.2	-179.7	-54.5	0	0	0	0	110.9	P77 Y161 P162 D164 W165 Q170 L171 I176 L190	P77-T167 HydrophobicContact CG-CG2 4.12Å; Y161-T167 HydrophobicContact CD1-CG2 4.24Å; P162-T167 VanDerWaalsContact O-CB 3.28Å; P162-T167 WeakPolarHBondContact O-CB 3.5Å; P162-T167 WeakPolarHBondContact O-CG2 3.34Å; P162-T167 PolarHBondContact O-OG1 2.81Å; P162-T167 VanDerWaalsContact O-OG1 3.11Å; D164-T167 PolarHBondContact O-N 3.42Å; D164-T167 VanDerWaalsContact O-N 3.13Å; D164-T167 WeakPolarHBondContact OD1-CB 3.49Å; D164-T167 PolarHBondContact OD1-N 3.12Å; D164-T167 PolarHBondContact OD1-OG1 2.87Å; W165-T167 VanDerWaalsContact C-N 3.32Å; T167-Q170 PolarHBondContact O-N 3.28Å; T167-L171 PolarHBondContact O-N 2.79Å; T167-I176 HydrophobicContact CG2-CD1 4.07Å; T167-L190 HydrophobicContact CG2-CD2 3.99Å
168	L	82.2	Confident	82.4	Confident	11 Å²	11	45.2 Å²	45.2	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-65.8	-39.2	169.4	-65.8	-171.1	0	0	0	113.1	D164 W165 Q170 L171 R172 I187 L190	D164-L168 PolarHBondContact O-N 2.7Å; W165-L168 PolarHBondContact O-N 3.07Å; L168-Q170 VanDerWaalsContact C-N 3.32Å; L168-Q170 PolarHBondContact O-N 3.32Å; L168-L171 WeakPolarHBondContact O-CB 3.45Å; L168-L171 PolarHBondContact O-N 2.83Å; L168-R172 WeakPolarHBondContact O-CB 3.47Å; L168-R172 WeakPolarHBondContact O-CD 3.33Å; L168-R172 WeakPolarHBondContact O-CG 3.41Å; L168-R172 PolarHBondContact O-N 2.77Å; L168-I187 HydrophobicContact CD1-CD1 4.26Å; L168-I187 HydrophobicContact CD1-CG1 3.87Å; L168-I187 HydrophobicContact CD2-CG1 4.46Å; L168-I187 HydrophobicContact CG-CG1 4.07Å; L168-L190 HydrophobicContact CD2-CB 4.29Å; L168-L190 HydrophobicContact CD2-CD2 3.98Å
169	E	77.3	Confident	81.6	Confident	38 Å²	38	50.4 Å²	50.4	18%	0.178	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-39.6	175.9	-178.4	173.1	-116.6	0	0	111.7	W165 H166 R172 Y173 R861	W165-E169 HydrophobicContact CE3-CB 4.45Å; W165-E169 WeakPolarHBondContact CZ3-OE2 3.29Å; W165-E169 WeakPolarHBondContact O-CB 3.22Å; W165-E169 PolarHBondContact O-N 2.82Å; H166-E169 PolarHBondContact O-N 2.85Å; E169-R172 PolarHBondContact O-N 3.42Å; E169-Y173 HydrophobicContact CG-CD2 3.65Å; E169-Y173 HydrophobicContact CG-CE2 3.43Å; E169-Y173 VanDerWaalsContact CG-CE2 3.43Å; E169-Y173 VanDerWaalsContact O-CD2 3.29Å; E169-Y173 WeakPolarHBondContact O-CD2 3.44Å; E169-Y173 PolarHBondContact O-N 2.81Å; E169-Y173 VanDerWaalsContact O-N 3.08Å; E169-R861 IonicContact OE1-CZ 2.75Å; E169-R861 IonicContact OE1-NH1 3.37Å; E169-R861 PolarHBondContact OE1-NH1 2.96Å; E169-R861 IonicContact OE1-NH2 2.93Å; E169-R861 PolarHBondContact OE1-NH2 3.44Å
170	Q	81.5	Confident	80.8	Confident	35 Å²	35	52.5 Å²	52.5	16%	0.164	26%	0.263	C	S	.	.	H	α-helix	trans	-70.1	-30.8	176	-70.2	171.6	-4.8	0	0	112.9	L76 H166 T167 L168 L175 I176	L76-Q170 HydrophobicContact CD2-CB 4.43Å; L76-Q170 HydrophobicContact CD2-CG 4.03Å; H166-Q170 WeakPolarHBondContact O-CB 3.18Å; H166-Q170 VanDerWaalsContact O-CG 3.25Å; H166-Q170 WeakPolarHBondContact O-CG 3.46Å; H166-Q170 PolarHBondContact O-N 2.89Å; T167-Q170 PolarHBondContact O-N 3.28Å; L168-Q170 VanDerWaalsContact C-N 3.32Å; L168-Q170 PolarHBondContact O-N 3.32Å; Q170-L175 HydrophobicContact CB-CB 4.22Å; Q170-L175 HydrophobicContact CG-CD1 4.19Å; Q170-L175 WeakPolarHBondContact O-CA 3.43Å; Q170-L175 WeakPolarHBondContact O-CB 3.31Å; Q170-L175 PolarHBondContact O-N 3.31Å; Q170-I176 HydrophobicContact CB-CD1 3.51Å; Q170-I176 HydrophobicContact CB-CG1 3.91Å; Q170-I176 PolarHBondContact O-N 2.8Å
171	L	80.3	Confident	80.5	Confident	9 Å²	9	53.1 Å²	53.1	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-48.4	169	-174.3	74.1	0	0	0	111.2	T167 L168 Y173 K174 L178 L181	T167-L171 PolarHBondContact O-N 2.79Å; L168-L171 WeakPolarHBondContact O-CB 3.45Å; L168-L171 PolarHBondContact O-N 2.83Å; L171-Y173 PolarHBondContact O-N 3.4Å; L171-K174 PolarHBondContact O-N 2.92Å; L171-L178 HydrophobicContact CD1-CB 4.14Å; L171-L178 HydrophobicContact CD1-CD1 4.14Å; L171-L178 HydrophobicContact CD1-CG 4.32Å; L171-L181 HydrophobicContact CD1-CD2 4.22Å; L171-L181 HydrophobicContact CD2-CD2 3.65Å; L171-L181 HydrophobicContact CD2-CG 4.08Å
172	R	76.4	Confident	79.8	Confident	68 Å²	68	53.7 Å²	53.7	26%	0.257	27%	0.274	S	S	.	.	H	α-helix	trans	-56.1	-49.9	-179.3	-74.7	160.5	-170.4	168.1	0.4	112.2	L168 E169 K174 P183 S185 I770	L168-R172 WeakPolarHBondContact O-CB 3.47Å; L168-R172 WeakPolarHBondContact O-CD 3.33Å; L168-R172 WeakPolarHBondContact O-CG 3.41Å; L168-R172 PolarHBondContact O-N 2.77Å; E169-R172 PolarHBondContact O-N 3.42Å; R172-K174 PolarHBondContact O-N 3.12Å; R172-P183 WeakPolarHBondContact CG-O 3.47Å; R172-S185 PolarHBondContact NH2-O 3.28Å; R172-I770 VanDerWaalsContact NH1-CD1 3.31Å
173	Y	76.4	Confident	79	Confident	108 Å²	108	56 Å²	56	42%	0.424	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	12.9	178.3	-62.8	-51.1	0	0	0	114.4	E169 L171 L175 R861	E169-Y173 HydrophobicContact CG-CD2 3.65Å; E169-Y173 HydrophobicContact CG-CE2 3.43Å; E169-Y173 VanDerWaalsContact CG-CE2 3.43Å; E169-Y173 VanDerWaalsContact O-CD2 3.29Å; E169-Y173 WeakPolarHBondContact O-CD2 3.44Å; E169-Y173 PolarHBondContact O-N 2.81Å; E169-Y173 VanDerWaalsContact O-N 3.08Å; L171-Y173 PolarHBondContact O-N 3.4Å; Y173-L175 PolarHBondContact O-N 2.66Å; Y173-L175 VanDerWaalsContact O-N 3.14Å; Y173-R861 PolarHBondContact OH-NH2 3.36Å
174	K	75.2	Confident	78.1	Confident	136 Å²	136	57.2 Å²	57.2	59%	0.591	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	38.5	-178.5	-55.6	-177.6	-177.6	-179.5	0	112.9	L171 R172 R705	L171-K174 PolarHBondContact O-N 2.92Å; R172-K174 PolarHBondContact O-N 3.12Å; K174-R705 PolarHBondContact O-NH2 2.77Å
175	L	76.9	Confident	77.8	Confident	46 Å²	46	56.4 Å²	56.4	24%	0.241	29%	0.292	C	S	.	.	S	Bend	trans	-81.6	-36.6	172.1	-59.4	178.4	0	0	0	110.1	L76 Q170 Y173 R705 M708	L76-L175 HydrophobicContact CD1-CB 4.34Å; L76-L175 HydrophobicContact CD2-CB 3.76Å; L76-L175 HydrophobicContact CD2-CD1 4.42Å; Q170-L175 HydrophobicContact CB-CB 4.22Å; Q170-L175 HydrophobicContact CG-CD1 4.19Å; Q170-L175 WeakPolarHBondContact O-CA 3.43Å; Q170-L175 WeakPolarHBondContact O-CB 3.31Å; Q170-L175 PolarHBondContact O-N 3.31Å; Y173-L175 PolarHBondContact O-N 2.66Å; Y173-L175 VanDerWaalsContact O-N 3.14Å; L175-R705 PolarHBondContact O-NH1 3.36Å; L175-M708 HydrophobicContact CD1-CE 4.35Å
176	I	78.6	Confident	78	Confident	12 Å²	12	52.3 Å²	52.3	6%	0.062	28%	0.28	C	S	.	.	S	Bend	trans	-101.6	139	164	-50.8	156.6	0	0	0	107.3	P77 Y161 T167 Q170 L178	P77-I176 HydrophobicContact CG-CD1 3.47Å; P77-I176 VanDerWaalsContact CG-CD1 3.47Å; P77-I176 HydrophobicContact CG-CG1 4.05Å; Y161-I176 HydrophobicContact CE1-CG2 3.74Å; T167-I176 HydrophobicContact CG2-CD1 4.07Å; Q170-I176 HydrophobicContact CB-CD1 3.51Å; Q170-I176 HydrophobicContact CB-CG1 3.91Å; Q170-I176 PolarHBondContact O-N 2.8Å; I176-L178 HydrophobicContact CG2-CD1 4.39Å; I176-L178 HydrophobicContact CG2-CD2 4.41Å; I176-L178 HydrophobicContact CG2-CG 3.95Å
177	E	72.8	Confident	78.2	Confident	148 Å²	148	50.5 Å²	50.5	69%	0.692	27%	0.272	S	S	*	.			trans	-113.2	125.2	172.2	-70.8	168.7	175	0	0	108.6
178	L	82.2	Confident	78.3	Confident	23 Å²	23	53 Å²	53	12%	0.12	28%	0.282	C	S	.	.			trans	-136.1	93.4	-178.8	-73	-176.9	0	0	0	108.5	L171 I176 G180 L181 L190 Y193 L194	L171-L178 HydrophobicContact CD1-CB 4.14Å; L171-L178 HydrophobicContact CD1-CD1 4.14Å; L171-L178 HydrophobicContact CD1-CG 4.32Å; I176-L178 HydrophobicContact CG2-CD1 4.39Å; I176-L178 HydrophobicContact CG2-CD2 4.41Å; I176-L178 HydrophobicContact CG2-CG 3.95Å; L178-G180 PolarHBondContact O-N 3.39Å; L178-L181 HydrophobicContact CB-CB 4.22Å; L178-L181 HydrophobicContact CD1-CD2 4.05Å; L178-L181 PolarHBondContact O-N 2.94Å; L178-L181 VanDerWaalsContact O-N 3.07Å; L178-L190 HydrophobicContact CD1-CD1 3.74Å; L178-Y193 VanDerWaalsContact C-OH 3.23Å; L178-Y193 HydrophobicContact CB-CE1 3.8Å; L178-Y193 WeakPolarHBondContact CB-OH 3.33Å; L178-Y193 HydrophobicContact CD1-CD1 4.41Å; L178-Y193 HydrophobicContact CD1-CE1 3.9Å; L178-Y193 HydrophobicContact CD2-CE1 4.06Å; L178-Y193 HydrophobicContact CG-CE1 4.12Å; L178-L194 HydrophobicContact CD1-CD2 4.43Å
179	D	76	Confident	78.5	Confident	108 Å²	108	55 Å²	55	58%	0.578	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	121.6	-171.4	-11.5	-74.7	0	0	0	112.8	Y193 R197	D179-Y193 PolarHBondContact N-OH 3.12Å; D179-Y193 WeakPolarHBondContact O-CE2 3.32Å; D179-Y193 PolarHBondContact O-OH 3.32Å; D179-R197 IonicContact OD2-CZ 2.71Å; D179-R197 IonicContact OD2-NH1 3.9Å; D179-R197 PolarHBondContact OD2-NH1 3.34Å; D179-R197 IonicContact OD2-NH2 3.82Å; D179-R197 PolarHBondContact OD2-NH2 3.41Å
180	G	73.3	Confident	79.1	Confident	84 Å²	84	53.3 Å²	53.3	87%	0.866	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	-7.9	-178.9	0	0	0	0	0	115.1	L178	L178-G180 PolarHBondContact O-N 3.39Å
181	L	81.2	Confident	79.6	Confident	25 Å²	25	51.7 Å²	51.7	13%	0.131	28%	0.277	C	S	.	.			trans	-89.8	134.9	169.5	-169.7	62.9	0	0	0	110.5	L171 L178 S185 D189 L190 Y193	L171-L181 HydrophobicContact CD1-CD2 4.22Å; L171-L181 HydrophobicContact CD2-CD2 3.65Å; L171-L181 HydrophobicContact CD2-CG 4.08Å; L178-L181 HydrophobicContact CB-CB 4.22Å; L178-L181 HydrophobicContact CD1-CD2 4.05Å; L178-L181 PolarHBondContact O-N 2.94Å; L178-L181 VanDerWaalsContact O-N 3.07Å; L181-S185 WeakPolarHBondContact CD1-OG 3.45Å; L181-D189 HydrophobicContact CD1-CB 4.26Å; L181-L190 HydrophobicContact CD2-CB 4.27Å; L181-L190 HydrophobicContact CD2-CD1 3.54Å; L181-Y193 HydrophobicContact CB-CD1 4.36Å; L181-Y193 HydrophobicContact CB-CD2 4.02Å; L181-Y193 HydrophobicContact CB-CE1 4.38Å; L181-Y193 HydrophobicContact CB-CE2 4.03Å; L181-Y193 HydrophobicContact CB-CG 4.19Å; L181-Y193 HydrophobicContact CD1-CD2 4.39Å; L181-Y193 HydrophobicContact CD1-CG 4.1Å; L181-Y193 HydrophobicContact CD2-CD1 4.04Å; L181-Y193 HydrophobicContact CD2-CE1 4.47Å; L181-Y193 HydrophobicContact CD2-CG 4.29Å; L181-Y193 HydrophobicContact CG-CG 4.43Å
182	A	76.3	Confident	79.9	Confident	41 Å²	41	53.3 Å²	53.3	34%	0.339	29%	0.286	S	S	.	.			trans	-75.7	140.9	-178.4	0	0	0	0	0	111.2	N184 S185	A182-N184 WeakPolarHBondContact CB-OD1 3.32Å; A182-N184 PolarHBondContact O-N 3.03Å; A182-S185 WeakPolarHBondContact O-CB 3.39Å; A182-S185 PolarHBondContact O-N 3.45Å; A182-S185 PolarHBondContact O-OG 2.97Å
183	P	74.2	Confident	80.6	Confident	48 Å²	48	51.6 Å²	51.6	31%	0.312	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.3	-179.5	-25.7	34.7	0	0	0	113.5	R172 S185	R172-P183 WeakPolarHBondContact CG-O 3.47Å; P183-S185 VanDerWaalsContact C-N 3.31Å; P183-S185 PolarHBondContact O-N 3.28Å
184	N	71.2	Confident	81.3	Confident	43 Å²	43	47.1 Å²	47.1	23%	0.23	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	3.1	178.2	53.3	-1.5	0	0	0	114.5	A182 T791 P792	A182-N184 WeakPolarHBondContact CB-OD1 3.32Å; A182-N184 PolarHBondContact O-N 3.03Å; N184-T791 HydrophobicContact CB-CG2 4.08Å; N184-P792 PolarHBondContact ND2-O 3.02Å
185	S	79.6	Confident	82	Confident	11 Å²	11	40.7 Å²	40.7	8%	0.077	24%	0.235	C	C	.	.			trans	-53.6	154.4	177.8	-87.6	0	0	0	0	114	R172 L181 A182 P183 D189	R172-S185 PolarHBondContact NH2-O 3.28Å; L181-S185 WeakPolarHBondContact CD1-OG 3.45Å; A182-S185 WeakPolarHBondContact O-CB 3.39Å; A182-S185 PolarHBondContact O-N 3.45Å; A182-S185 PolarHBondContact O-OG 2.97Å; P183-S185 VanDerWaalsContact C-N 3.31Å; P183-S185 PolarHBondContact O-N 3.28Å; S185-D189 VanDerWaalsContact CA-OD2 3.27Å; S185-D189 WeakPolarHBondContact CA-OD2 3.47Å; S185-D189 WeakPolarHBondContact CB-OD2 3.3Å; S185-D189 WeakPolarHBondContact OG-CB 3.5Å; S185-D189 PolarHBondContact OG-OD2 2.89Å
186	N	80	Confident	82.5	Confident	50 Å²	50	39.6 Å²	39.6	27%	0.267	23%	0.23	S	C	.	.			trans	-97.3	178.6	176.1	70.3	61.7	0	0	0	111.6	Y188 D189 L190	N186-Y188 VanDerWaalsContact C-N 3.34Å; N186-Y188 PolarHBondContact O-N 2.7Å; N186-Y188 WeakPolarHBondContact OD1-CA 3.15Å; N186-Y188 VanDerWaalsContact OD1-CB 3.23Å; N186-Y188 WeakPolarHBondContact OD1-CB 3.44Å; N186-Y188 PolarHBondContact OD1-N 3.1Å; N186-D189 VanDerWaalsContact CG-CG 3.45Å; N186-D189 PolarHBondContact N-OD2 2.93Å; N186-D189 PolarHBondContact ND2-OD1 2.96Å; N186-D189 PolarHBondContact ND2-OD2 2.89Å; N186-D189 PolarHBondContact O-N 2.91Å; N186-D189 PolarHBondContact OD1-N 3.21Å; N186-D189 PolarHBondContact OD1-OD1 2.7Å; N186-L190 PolarHBondContact O-N 2.7Å
187	I	85.4	Confident	82.7	Confident	13 Å²	13	42.1 Å²	42.1	7%	0.067	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-34.5	-178.5	-90.1	153.6	0	0	0	112.7	V129 L132 L163 L168 A191	V129-I187 HydrophobicContact CB-CB 4.4Å; V129-I187 HydrophobicContact CG1-CB 4.19Å; V129-I187 HydrophobicContact CG1-CG2 3.8Å; V129-I187 WeakPolarHBondContact O-CD1 3.29Å; L132-I187 HydrophobicContact CD1-CG2 3.44Å; L132-I187 VanDerWaalsContact CD1-CG2 3.44Å; L132-I187 HydrophobicContact CG-CG2 3.79Å; L163-I187 HydrophobicContact CB-CG2 4.24Å; L168-I187 HydrophobicContact CD1-CD1 4.26Å; L168-I187 HydrophobicContact CD1-CG1 3.87Å; L168-I187 HydrophobicContact CD2-CG1 4.46Å; L168-I187 HydrophobicContact CG-CG1 4.07Å; I187-A191 WeakPolarHBondContact O-CB 3.31Å; I187-A191 PolarHBondContact O-N 3.01Å
188	Y	86.6	Confident	83.3	Confident	55 Å²	55	36 Å²	36	22%	0.216	21%	0.212	C	C	.	.	H	α-helix	trans	-69.6	-42.4	175.7	178	-88.4	0	0	0	111.7	L120 L132 N186 A191 N192 Y324	L120-Y188 HydrophobicContact CB-CD2 4.2Å; L120-Y188 HydrophobicContact CB-CE2 3.87Å; L132-Y188 HydrophobicContact CD2-CD2 3.84Å; L132-Y188 HydrophobicContact CD2-CG 4.48Å; N186-Y188 VanDerWaalsContact C-N 3.34Å; N186-Y188 PolarHBondContact O-N 2.7Å; N186-Y188 WeakPolarHBondContact OD1-CA 3.15Å; N186-Y188 VanDerWaalsContact OD1-CB 3.23Å; N186-Y188 WeakPolarHBondContact OD1-CB 3.44Å; N186-Y188 PolarHBondContact OD1-N 3.1Å; Y188-A191 PolarHBondContact O-N 3.05Å; Y188-N192 WeakPolarHBondContact CE1-ND2 3.35Å; Y188-N192 WeakPolarHBondContact O-CB 3.05Å; Y188-N192 PolarHBondContact O-N 3.39Å; Y188-Y324 PolarHBondContact OH-OH 2.85Å
189	D	86.8	Confident	83.2	Confident	55 Å²	55	35 Å²	35	29%	0.294	21%	0.206	S	C	.	.	H	α-helix	trans	-61.2	-47.8	174.7	-49.8	-23	0	0	0	111	L181 S185 N186 A191 N192 Y193	L181-D189 HydrophobicContact CD1-CB 4.26Å; S185-D189 VanDerWaalsContact CA-OD2 3.27Å; S185-D189 WeakPolarHBondContact CA-OD2 3.47Å; S185-D189 WeakPolarHBondContact CB-OD2 3.3Å; S185-D189 WeakPolarHBondContact OG-CB 3.5Å; S185-D189 PolarHBondContact OG-OD2 2.89Å; N186-D189 VanDerWaalsContact CG-CG 3.45Å; N186-D189 PolarHBondContact N-OD2 2.93Å; N186-D189 PolarHBondContact ND2-OD1 2.96Å; N186-D189 PolarHBondContact ND2-OD2 2.89Å; N186-D189 PolarHBondContact O-N 2.91Å; N186-D189 PolarHBondContact OD1-N 3.21Å; N186-D189 PolarHBondContact OD1-OD1 2.7Å; D189-A191 VanDerWaalsContact C-N 3.34Å; D189-A191 PolarHBondContact O-N 2.82Å; D189-N192 PolarHBondContact O-N 3.16Å; D189-Y193 VanDerWaalsContact O-CB 3.27Å; D189-Y193 WeakPolarHBondContact O-CB 3.21Å; D189-Y193 PolarHBondContact O-N 3.12Å
190	L	89.7	Confident	83	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-44.8	177.2	174.7	64.5	0	0	0	111.1	L163 T167 L168 L178 L181 N186 Y193 L194	L163-L190 HydrophobicContact CD2-CD2 4.4Å; T167-L190 HydrophobicContact CG2-CD2 3.99Å; L168-L190 HydrophobicContact CD2-CB 4.29Å; L168-L190 HydrophobicContact CD2-CD2 3.98Å; L178-L190 HydrophobicContact CD1-CD1 3.74Å; L181-L190 HydrophobicContact CD2-CB 4.27Å; L181-L190 HydrophobicContact CD2-CD1 3.54Å; N186-L190 PolarHBondContact O-N 2.7Å; L190-Y193 PolarHBondContact O-N 2.98Å; L190-L194 HydrophobicContact CD1-CD1 3.78Å; L190-L194 HydrophobicContact CD1-CG 4.05Å; L190-L194 HydrophobicContact CG-CD1 3.94Å; L190-L194 WeakPolarHBondContact O-CB 3.47Å; L190-L194 VanDerWaalsContact O-CG 3.26Å; L190-L194 WeakPolarHBondContact O-CG 3.35Å; L190-L194 PolarHBondContact O-N 3.09Å
191	A	91.6	Very high	82.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-48.8	177.8	0	0	0	0	0	112.1	L120 L132 I158 L163 I187 Y188 D189 Y193 L194 L195	L120-A191 HydrophobicContact CD1-CB 3.86Å; L132-A191 HydrophobicContact CD1-CB 3.43Å; L132-A191 VanDerWaalsContact CD1-CB 3.43Å; I158-A191 HydrophobicContact CD1-CB 3.74Å; L163-A191 HydrophobicContact CD1-CB 4.31Å; L163-A191 HydrophobicContact CD2-CB 4.27Å; I187-A191 WeakPolarHBondContact O-CB 3.31Å; I187-A191 PolarHBondContact O-N 3.01Å; Y188-A191 PolarHBondContact O-N 3.05Å; D189-A191 VanDerWaalsContact C-N 3.34Å; D189-A191 PolarHBondContact O-N 2.82Å; A191-Y193 VanDerWaalsContact C-N 3.29Å; A191-Y193 PolarHBondContact O-N 2.89Å; A191-L194 PolarHBondContact O-N 3Å; A191-L195 WeakPolarHBondContact O-CB 3.28Å; A191-L195 VanDerWaalsContact O-CG 3.24Å; A191-L195 WeakPolarHBondContact O-CG 3.29Å; A191-L195 PolarHBondContact O-N 2.79Å
192	N	88.4	Confident	80.6	Confident	44 Å²	44	39.6 Å²	39.6	24%	0.235	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-41.1	177	-87.6	-17.2	0	0	0	112.3	Y188 D189 N196	Y188-N192 WeakPolarHBondContact CE1-ND2 3.35Å; Y188-N192 WeakPolarHBondContact O-CB 3.05Å; Y188-N192 PolarHBondContact O-N 3.39Å; D189-N192 PolarHBondContact O-N 3.16Å; N192-N196 VanDerWaalsContact O-CB 3.24Å; N192-N196 WeakPolarHBondContact O-CB 3.25Å; N192-N196 VanDerWaalsContact O-CG 3.3Å; N192-N196 PolarHBondContact O-N 3.37Å; N192-N196 PolarHBondContact O-ND2 3.32Å
193	Y	89.9	Confident	78.7	Confident	31 Å²	31	40.7 Å²	40.7	12%	0.122	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-50.2	175.9	167.9	-88.9	0	0	0	111.7	L178 D179 L181 D189 L190 A191 L195 N196 R197	L178-Y193 VanDerWaalsContact C-OH 3.23Å; L178-Y193 HydrophobicContact CB-CE1 3.8Å; L178-Y193 WeakPolarHBondContact CB-OH 3.33Å; L178-Y193 HydrophobicContact CD1-CD1 4.41Å; L178-Y193 HydrophobicContact CD1-CE1 3.9Å; L178-Y193 HydrophobicContact CD2-CE1 4.06Å; L178-Y193 HydrophobicContact CG-CE1 4.12Å; D179-Y193 PolarHBondContact N-OH 3.12Å; D179-Y193 WeakPolarHBondContact O-CE2 3.32Å; D179-Y193 PolarHBondContact O-OH 3.32Å; L181-Y193 HydrophobicContact CB-CD1 4.36Å; L181-Y193 HydrophobicContact CB-CD2 4.02Å; L181-Y193 HydrophobicContact CB-CE1 4.38Å; L181-Y193 HydrophobicContact CB-CE2 4.03Å; L181-Y193 HydrophobicContact CB-CG 4.19Å; L181-Y193 HydrophobicContact CD1-CD2 4.39Å; L181-Y193 HydrophobicContact CD1-CG 4.1Å; L181-Y193 HydrophobicContact CD2-CD1 4.04Å; L181-Y193 HydrophobicContact CD2-CE1 4.47Å; L181-Y193 HydrophobicContact CD2-CG 4.29Å; L181-Y193 HydrophobicContact CG-CG 4.43Å; D189-Y193 VanDerWaalsContact O-CB 3.27Å; D189-Y193 WeakPolarHBondContact O-CB 3.21Å; D189-Y193 PolarHBondContact O-N 3.12Å; L190-Y193 PolarHBondContact O-N 2.98Å; A191-Y193 VanDerWaalsContact C-N 3.29Å; A191-Y193 PolarHBondContact O-N 2.89Å; Y193-L195 VanDerWaalsContact C-N 3.3Å; Y193-L195 PolarHBondContact O-N 3.21Å; Y193-N196 PolarHBondContact O-N 2.79Å; Y193-R197 VanDerWaalsContact O-CB 3.28Å; Y193-R197 WeakPolarHBondContact O-CB 3.36Å; Y193-R197 PolarHBondContact O-N 3.27Å; Y193-R197 PolarHBondContact OH-NH1 2.66Å
194	L	90.7	Very high	76.8	Confident	15 Å²	15	43.6 Å²	43.6	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-30	-179.5	-71.5	173.8	0	0	0	113.5	I158 Y161 L178 L190 A191	I158-L194 HydrophobicContact CB-CB 4.22Å; I158-L194 HydrophobicContact CB-CD1 4.24Å; I158-L194 HydrophobicContact CG2-CB 3.76Å; Y161-L194 HydrophobicContact CD2-CD1 3.88Å; Y161-L194 HydrophobicContact CD2-CD2 3.67Å; Y161-L194 HydrophobicContact CD2-CG 4.46Å; Y161-L194 HydrophobicContact CE2-CD2 3.89Å; Y161-L194 HydrophobicContact CG-CD1 3.96Å; Y161-L194 HydrophobicContact CG-CD2 4.4Å; L178-L194 HydrophobicContact CD1-CD2 4.43Å; L190-L194 HydrophobicContact CD1-CD1 3.78Å; L190-L194 HydrophobicContact CD1-CG 4.05Å; L190-L194 HydrophobicContact CG-CD1 3.94Å; L190-L194 WeakPolarHBondContact O-CB 3.47Å; L190-L194 VanDerWaalsContact O-CG 3.26Å; L190-L194 WeakPolarHBondContact O-CG 3.35Å; L190-L194 PolarHBondContact O-N 3.09Å; A191-L194 PolarHBondContact O-N 3Å
195	L	90.6	Very high	74.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-77.8	-41.5	176.1	-70.4	172.9	0	0	0	112.8	I118 L120 I158 A191 Y193 Y199 P232 L234	I118-L195 HydrophobicContact CB-CD1 4.24Å; I118-L195 HydrophobicContact CD1-CD1 4.23Å; I118-L195 HydrophobicContact CD1-CD2 3.86Å; L120-L195 HydrophobicContact CD1-CD1 4.06Å; L120-L195 HydrophobicContact CD2-CD1 4.49Å; I158-L195 HydrophobicContact CD1-CD1 4.22Å; I158-L195 HydrophobicContact CD1-CD2 4.08Å; I158-L195 HydrophobicContact CD1-CG 3.91Å; I158-L195 HydrophobicContact CG1-CD2 4.39Å; I158-L195 HydrophobicContact CG2-CD2 3.91Å; I158-L195 HydrophobicContact CG2-CG 4.39Å; A191-L195 WeakPolarHBondContact O-CB 3.28Å; A191-L195 VanDerWaalsContact O-CG 3.24Å; A191-L195 WeakPolarHBondContact O-CG 3.29Å; A191-L195 PolarHBondContact O-N 2.79Å; Y193-L195 VanDerWaalsContact C-N 3.3Å; Y193-L195 PolarHBondContact O-N 3.21Å; L195-Y199 WeakPolarHBondContact O-CD2 3.38Å; L195-Y199 WeakPolarHBondContact O-CE2 3.46Å; L195-P232 HydrophobicContact CD2-CB 4.01Å; L195-P232 HydrophobicContact CD2-CG 4.43Å; L195-P232 WeakPolarHBondContact O-CG 3.43Å; L195-L234 HydrophobicContact CD2-CD1 4.16Å; L195-L234 HydrophobicContact CD2-CD2 4.2Å; L195-L234 HydrophobicContact CD2-CG 4.3Å
196	N	87.4	Confident	72.6	Confident	24 Å²	24	53.6 Å²	53.6	13%	0.128	29%	0.294	C	S	.	.	H	α-helix	trans	-98	-25.4	-166.3	-60.4	-41.4	0	0	0	113.8	R115 S116 N192 Y193 P198 Y199 Q200	R115-N196 HydrophobicContact CB-CB 4.46Å; R115-N196 WeakPolarHBondContact CB-OD1 3.4Å; S116-N196 WeakPolarHBondContact CB-OD1 3.05Å; S116-N196 PolarHBondContact N-OD1 3.47Å; S116-N196 PolarHBondContact OG-OD1 2.82Å; N192-N196 VanDerWaalsContact O-CB 3.24Å; N192-N196 WeakPolarHBondContact O-CB 3.25Å; N192-N196 VanDerWaalsContact O-CG 3.3Å; N192-N196 PolarHBondContact O-N 3.37Å; N192-N196 PolarHBondContact O-ND2 3.32Å; Y193-N196 PolarHBondContact O-N 2.79Å; N196-P198 VanDerWaalsContact C-CD 3.47Å; N196-P198 VanDerWaalsContact C-N 3.34Å; N196-Y199 PolarHBondContact O-N 2.88Å; N196-Q200 WeakPolarHBondContact O-CG 3.48Å; N196-Q200 PolarHBondContact O-N 3.19Å
197	R	83.8	Confident	70.3	Confident	64 Å²	64	57.9 Å²	57.9	24%	0.242	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-53.1	-40	179.1	-168.9	174.8	-171	-159.7	-4.3	113.8	D179 Y193 Y199 Q200 F229	D179-R197 IonicContact OD2-CZ 2.71Å; D179-R197 IonicContact OD2-NH1 3.9Å; D179-R197 PolarHBondContact OD2-NH1 3.34Å; D179-R197 IonicContact OD2-NH2 3.82Å; D179-R197 PolarHBondContact OD2-NH2 3.41Å; Y193-R197 VanDerWaalsContact O-CB 3.28Å; Y193-R197 WeakPolarHBondContact O-CB 3.36Å; Y193-R197 PolarHBondContact O-N 3.27Å; Y193-R197 PolarHBondContact OH-NH1 2.66Å; R197-Y199 PolarHBondContact O-N 3.09Å; R197-Y199 VanDerWaalsContact O-N 3.15Å; R197-Q200 PolarHBondContact O-N 3.21Å; R197-F229 HydrophobicContact CG-CE1 4.29Å; R197-F229 HydrophobicContact CG-CZ 4.41Å
198	P	83.9	Confident	67.9	Low	21 Å²	21	65.5 Å²	65.5	14%	0.136	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-65	-13.1	176.6	-24.9	37.7	0	0	0	115.8	N196 F229 P232	N196-P198 VanDerWaalsContact C-CD 3.47Å; N196-P198 VanDerWaalsContact C-N 3.34Å; P198-F229 HydrophobicContact CB-CB 3.96Å; P198-F229 HydrophobicContact CG-CB 4.28Å; P198-P232 HydrophobicContact CG-CG 4.09Å
199	Y	81.5	Confident	65.3	Low	1 Å²	1	69 Å²	69	0%	0.004	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-111.2	6.7	179.5	-52.7	-76.7	0	0	0	112.6	L104 P105 Y107 Y113 P142 L195 N196 R197 N201 P232	L104-Y199 VanDerWaalsContact CB-OH 3.25Å; L104-Y199 WeakPolarHBondContact CB-OH 3.45Å; L104-Y199 HydrophobicContact CD1-CE2 4.31Å; P105-Y199 PolarHBondContact O-OH 3.42Å; Y107-Y199 HydrophobicContact CD2-CD1 4.18Å; Y113-Y199 HydrophobicContact CD2-CD1 4.31Å; Y113-Y199 VanDerWaalsContact O-O 3.05Å; P142-Y199 HydrophobicContact CB-CE1 3.81Å; P142-Y199 HydrophobicContact CB-CE2 4.32Å; P142-Y199 HydrophobicContact CG-CD1 3.81Å; P142-Y199 HydrophobicContact CG-CE1 3.46Å; P142-Y199 VanDerWaalsContact CG-CE1 3.46Å; P142-Y199 HydrophobicContact CG-CE2 4.3Å; P142-Y199 HydrophobicContact CG-CG 4.38Å; L195-Y199 WeakPolarHBondContact O-CD2 3.38Å; L195-Y199 WeakPolarHBondContact O-CE2 3.46Å; N196-Y199 PolarHBondContact O-N 2.88Å; R197-Y199 PolarHBondContact O-N 3.09Å; R197-Y199 VanDerWaalsContact O-N 3.15Å; Y199-N201 PolarHBondContact O-N 3.19Å; Y199-P232 HydrophobicContact CE2-CG 4.1Å; Y199-P232 WeakPolarHBondContact OH-CD 3.2Å
200	Q	72	Confident	62.7	Low	117 Å²	117	76.6 Å²	76.6	55%	0.547	40%	0.401	S	S	.	.	S	Bend	trans	-98.6	75.5	-176.1	-76.8	172.2	-12.8	0	0	112.1	N196 R197 T202	N196-Q200 WeakPolarHBondContact O-CG 3.48Å; N196-Q200 PolarHBondContact O-N 3.19Å; R197-Q200 PolarHBondContact O-N 3.21Å; Q200-T202 PolarHBondContact O-N 2.88Å
201	N	55.1	Low	60.1	Low	85 Å²	85	82.8 Å²	82.8	46%	0.455	43%	0.433	S	S	.	.			trans	33.4	74.4	162	-76.7	-0.4	0	0	0	118.2	Y199 G203	Y199-N201 PolarHBondContact O-N 3.19Å; N201-G203 PolarHBondContact O-N 3Å
202	T	47.7	Very low	57.4	Low	111 Å²	111	92.4 Å²	92.4	68%	0.681	48%	0.475	S	S	*	.	S	Bend	trans	-81.1	96.9	150.2	45.8	0	0	0	0	110.2	Q200	Q200-T202 PolarHBondContact O-N 2.88Å
203	G	36.7	Very low	54.7	Low	65 Å²	65	98 Å²	98	67%	0.67	51%	0.506	S	S	*	.			trans	115	22.4	158.1	0	0	0	0	0	119.9	N201 S205	N201-G203 PolarHBondContact O-N 3Å; G203-S205 VanDerWaalsContact C-N 3.25Å; G203-S205 PolarHBondContact O-N 2.89Å
204	I	35	Very low	52.2	Low	108 Å²	108	101.8 Å²	101.8	55%	0.554	54%	0.536	S	S	*	.			trans	-78.3	81.7	163.2	-54.2	-173.5	0	0	0	109.4	H206	I204-H206 VanDerWaalsContact C-N 3.32Å; I204-H206 HydrophobicContact CG2-CB 4.31Å; I204-H206 PolarHBondContact O-N 2.85Å
205	S	28.5	Very low	49.6	Very low	103 Å²	103	105.9 Å²	105.9	72%	0.72	57%	0.566	S	S	*	*			trans	-79.3	80.2	164.5	41.6	0	0	0	0	109.2	G203 D207	G203-S205 VanDerWaalsContact C-N 3.25Å; G203-S205 PolarHBondContact O-N 2.89Å; S205-D207 PolarHBondContact O-N 2.88Å; S205-D207 VanDerWaalsContact O-N 3.16Å
206	H	34.5	Very low	46.9	Very low	161 Å²	161	111 Å²	111	75%	0.745	60%	0.597	S	S	*	*			trans	-80.8	93.6	171.2	-113.2	-54.5	0	0	0	110	I204 H208	I204-H206 VanDerWaalsContact C-N 3.32Å; I204-H206 HydrophobicContact CG2-CB 4.31Å; I204-H206 PolarHBondContact O-N 2.85Å; H206-H208 VanDerWaalsContact C-N 3.34Å; H206-H208 PolarHBondContact O-N 3.49Å
207	D	30.2	Very low	44.2	Very low	141 Å²	141	119.8 Å²	119.8	75%	0.754	64%	0.635	S	S	*	*			trans	-63.7	87.2	171.7	-85.8	-47	0	0	0	111.6	S205	S205-D207 PolarHBondContact O-N 2.88Å; S205-D207 VanDerWaalsContact O-N 3.16Å
208	H	35.7	Very low	41.7	Very low	172 Å²	172	125 Å²	125	80%	0.796	66%	0.662	S	S	*	*			trans	-135.8	51	158.6	-84.1	-52.6	0	0	0	112.7	H206	H206-H208 VanDerWaalsContact C-N 3.34Å; H206-H208 PolarHBondContact O-N 3.49Å
209	N	30.9	Very low	39.3	Very low	130 Å²	130	131.4 Å²	131.4	70%	0.695	69%	0.693	S	S	*	*				33.9	97.4	124.7	-176.7	45	0	0	0	117.5
210	Y	33.7	Very low	36.7	Very low	214 Å²	214	136.7 Å²	136.7	84%	0.839	73%	0.728	S	S	*	*			trans	-139.3	113.3	137.6	-106.7	-72.2	0	0	0	111.9
211	N	33.7	Very low	34.6	Very low	131 Å²	131	136.6 Å²	136.6	70%	0.701	74%	0.74	S	S	*	*			trans	43.3	105.3	160.8	-65.7	-18.6	0	0	0	120.6
212	K	34.9	Very low	33.4	Very low	202 Å²	202	140.4 Å²	140.4	88%	0.878	76%	0.755	S	S	*	*			trans	-58	144.2	152.9	-61.8	168.2	175.9	175.9	0	111.6
213	N	31.9	Very low	32.5	Very low	163 Å²	163	143.1 Å²	143.1	87%	0.872	76%	0.76	S	S	*	*			trans	-162.9	145.9	138.5	-94.4	-29.6	0	0	0	109.4
214	S	37	Very low	32.2	Very low	110 Å²	110	146.1 Å²	146.1	77%	0.769	77%	0.765	S	S	*	*			trans	61.6	117.7	-171.4	-131.6	0	0	0	0	114.2
215	S	36.8	Very low	31.8	Very low	101 Å²	101	146.9 Å²	146.9	71%	0.706	77%	0.771	S	S	*	*			cis	62.1	129.4	29.5	86.7	0	0	0	0	115
216	V	33.7	Very low	32	Very low	108 Å²	108	148.6 Å²	148.6	66%	0.655	77%	0.771	S	S	*	*			cis	-153.1	144.6	-9.8	117.6	0	0	0	0	108.4
217	F	31.1	Very low	32.3	Very low	208 Å²	208	145 Å²	145	91%	0.912	76%	0.761	S	S	*	*			trans	-156.1	102.7	147.7	-106.5	-69.8	0	0	0	107.4
218	E	31.7	Very low	33.2	Very low	173 Å²	173	145.6 Å²	145.6	81%	0.808	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-81.1	121.1	-179.5	-64.1	-177.2	143.3	0	0	109.9
219	I	33.2	Very low	34.5	Very low	156 Å²	156	141 Å²	141	80%	0.8	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-96.9	128.7	161.8	-61.7	177.6	0	0	0	106.1	S221	I219-S221 PolarHBondContact O-N 3.17Å
220	P	27.2	Very low	36.6	Very low	111 Å²	111	143.4 Å²	143.4	72%	0.721	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-56.1	132.5	-170.9	-29.1	35.8	0	0	0	114.1	E222	P220-E222 VanDerWaalsContact C-N 3.28Å; P220-E222 PolarHBondContact O-N 2.85Å
221	S	28.4	Very low	39	Very low	116 Å²	116	133.6 Å²	133.6	81%	0.811	71%	0.708	S	S	*	*			trans	-79.3	70.8	180	61.6	0	0	0	0	112.2	I219	I219-S221 PolarHBondContact O-N 3.17Å
222	E	28.2	Very low	41.6	Very low	164 Å²	164	127.3 Å²	127.3	77%	0.766	68%	0.675	S	S	*	*			trans	-117.1	141.9	164.3	-66.4	-165.2	164.7	0	0	110.4	P220	P220-E222 VanDerWaalsContact C-N 3.28Å; P220-E222 PolarHBondContact O-N 2.85Å
223	Q	30.6	Very low	44.3	Very low	168 Å²	168	119.9 Å²	119.9	79%	0.785	65%	0.646	S	S	*	*			trans	69.1	38.1	176.4	-47.7	-174.6	37.2	0	0	117.4	N225	Q223-N225 PolarHBondContact O-N 3.44Å
224	T	28.9	Very low	47.2	Very low	128 Å²	128	112.1 Å²	112.1	79%	0.785	61%	0.605	S	S	*	*			trans	-70.8	62.5	154.7	57.9	0	0	0	0	111.1	L226	T224-L226 PolarHBondContact O-N 3.12Å; T224-L226 VanDerWaalsContact O-N 3.13Å
225	N	28.2	Very low	49.8	Very low	125 Å²	125	106.9 Å²	106.9	67%	0.668	57%	0.568	S	S	*	*			trans	-67	107.3	165.8	-81.8	-39.5	0	0	0	107.8	Q223 T227	Q223-N225 PolarHBondContact O-N 3.44Å; N225-T227 HydrophobicContact CB-CG2 4.49Å; N225-T227 PolarHBondContact O-N 3.19Å
226	L	32.2	Very low	52.4	Low	139 Å²	139	102.1 Å²	102.1	73%	0.728	54%	0.535	S	S	*	.			trans	-63.8	91.4	162.8	-116.6	71.8	0	0	0	107.5	T224 N228	T224-L226 PolarHBondContact O-N 3.12Å; T224-L226 VanDerWaalsContact O-N 3.13Å; L226-N228 PolarHBondContact O-N 2.62Å
227	T	39.3	Very low	55	Low	85 Å²	85	97 Å²	97	52%	0.521	50%	0.504	S	S	.	.			trans	-69.7	103.9	178.4	51.1	0	0	0	0	108.3	N225 F229	N225-T227 HydrophobicContact CB-CG2 4.49Å; N225-T227 PolarHBondContact O-N 3.19Å; T227-F229 VanDerWaalsContact C-N 3.34Å; T227-F229 WeakPolarHBondContact O-CD2 3.37Å; T227-F229 PolarHBondContact O-N 3.39Å; T227-F229 WeakPolarHBondContact OG1-CE2 3.17Å
228	N	49.1	Very low	57.6	Low	153 Å²	153	88.6 Å²	88.6	82%	0.818	47%	0.466	S	S	*	.			trans	-55.4	96.7	171.4	-77.6	-10.8	0	0	0	109.5	L226 K230	L226-N228 PolarHBondContact O-N 2.62Å; N228-K230 PolarHBondContact O-N 2.75Å
229	F	63.2	Low	59.8	Low	77 Å²	77	81.9 Å²	81.9	34%	0.338	43%	0.433	S	S	.	.			trans	-67.9	105.5	176.7	-76.2	-77.3	0	0	0	108.4	R197 P198 T227	R197-F229 HydrophobicContact CG-CE1 4.29Å; R197-F229 HydrophobicContact CG-CZ 4.41Å; P198-F229 HydrophobicContact CB-CB 3.96Å; P198-F229 HydrophobicContact CG-CB 4.28Å; T227-F229 VanDerWaalsContact C-N 3.34Å; T227-F229 WeakPolarHBondContact O-CD2 3.37Å; T227-F229 PolarHBondContact O-N 3.39Å; T227-F229 WeakPolarHBondContact OG1-CE2 3.17Å
230	K	76.1	Confident	61.3	Low	179 Å²	179	76.5 Å²	76.5	78%	0.778	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-59.8	145.4	172	-68.7	-177.8	177.8	-180	0	109.5	N228	N228-K230 PolarHBondContact O-N 2.75Å
231	P	83.4	Confident	62.6	Low	8 Å²	8	79.1 Å²	79.1	5%	0.052	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-66.9	152.5	-177.5	29.2	-35.8	0	0	0	110.4	Q103 L104 D106 V233	Q103-P231 HydrophobicContact CG-CG 4.22Å; L104-P231 WeakPolarHBondContact O-CB 3Å; L104-P231 WeakPolarHBondContact O-CG 3.4Å; D106-P231 WeakPolarHBondContact OD1-CD 3.15Å; D106-P231 WeakPolarHBondContact OD1-CG 3.41Å; P231-V233 PolarHBondContact O-N 2.86Å
232	P	89.2	Confident	63.2	Low	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-58.2	130.5	-177.7	-26.4	35.1	0	0	0	113.2	L104 I158 S159 L195 P198 Y199 L234	L104-P232 HydrophobicContact CD1-CB 4.01Å; L104-P232 HydrophobicContact CD1-CG 3.99Å; L104-P232 HydrophobicContact CG-CB 4.31Å; L104-P232 PolarHBondContact N-O 3.45Å; I158-P232 HydrophobicContact CG2-CB 4.18Å; S159-P232 WeakPolarHBondContact OG-CA 3.44Å; L195-P232 HydrophobicContact CD2-CB 4.01Å; L195-P232 HydrophobicContact CD2-CG 4.43Å; L195-P232 WeakPolarHBondContact O-CG 3.43Å; P198-P232 HydrophobicContact CG-CG 4.09Å; Y199-P232 HydrophobicContact CE2-CG 4.1Å; Y199-P232 WeakPolarHBondContact OH-CD 3.2Å; P232-L234 HydrophobicContact CB-CD1 4.19Å
233	V	90.2	Very high	63.5	Low	45 Å²	45	76.6 Å²	76.6	27%	0.273	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	106.4	171.5	-178.6	0	0	0	0	108.6	M81 Q103 I158 S159 P231	M81-V233 HydrophobicContact CE-CG1 4.36Å; Q103-V233 HydrophobicContact CB-CG2 4.19Å; Q103-V233 HydrophobicContact CG-CG2 4.05Å; I158-V233 CarbonylContact C-O 3.47Å; S159-V233 PolarHBondContact N-O 3.03Å; P231-V233 PolarHBondContact O-N 2.86Å
234	L	92.8	Very high	63.6	Low	0 Å²	0	72 Å²	72	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	145.7	179.1	-64.6	87.5	0	0	0	110.8	T101 I102 L104 I118 I155 S157 I158 L195 P232 I236	T101-L234 WeakPolarHBondContact CA-O 3.47Å; I102-L234 PolarHBondContact N-O 2.78Å; I102-L234 PolarHBondContact O-N 2.86Å; L104-L234 HydrophobicContact CD1-CD1 4.3Å; L104-L234 HydrophobicContact CD2-CD1 4.22Å; L104-L234 HydrophobicContact CG-CD1 3.88Å; I118-L234 HydrophobicContact CD1-CD1 4.21Å; I118-L234 HydrophobicContact CD1-CD2 3.56Å; I155-L234 HydrophobicContact CD1-CD2 4.01Å; I155-L234 HydrophobicContact CG1-CD2 4.45Å; I155-L234 HydrophobicContact CG2-CD2 4.3Å; S157-L234 WeakPolarHBondContact O-CA 3.45Å; I158-L234 HydrophobicContact CG1-CG 4.42Å; L195-L234 HydrophobicContact CD2-CD1 4.16Å; L195-L234 HydrophobicContact CD2-CD2 4.2Å; L195-L234 HydrophobicContact CD2-CG 4.3Å; P232-L234 HydrophobicContact CB-CD1 4.19Å; L234-I236 HydrophobicContact CB-CG2 4.33Å
235	V	91.7	Very high	63.9	Low	1 Å²	1	69.6 Å²	69.6	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.8	159.1	-172.6	0	0	0	0	107.8	M81 L84 I88 I99 F100 T101 Y156 S157	M81-V235 HydrophobicContact CE-CG2 3.92Å; M81-V235 HydrophobicContact SD-CG2 4.22Å; L84-V235 HydrophobicContact CD1-CG2 4.14Å; I88-V235 HydrophobicContact CD1-CG1 3.93Å; I99-V235 HydrophobicContact CG2-CG1 4.16Å; F100-V235 WeakPolarHBondContact O-CA 3.42Å; T101-V235 HydrophobicContact CG2-CG2 4.24Å; Y156-V235 PolarHBondContact N-O 2.78Å; S157-V235 PolarHBondContact N-O 3.15Å; S157-V235 PolarHBondContact O-N 3.32Å; S157-V235 WeakPolarHBondContact OG-CB 3.26Å; S157-V235 VanDerWaalsContact OG-CG2 3.26Å; S157-V235 WeakPolarHBondContact OG-CG2 3.5Å
236	I	91.8	Very high	64.2	Low	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	153.6	-176	61.4	158	0	0	0	112.3	I99 F100 I102 D153 R154 I155 L234	I99-I236 WeakPolarHBondContact CA-O 3.42Å; F100-I236 HydrophobicContact CB-CD1 4.08Å; F100-I236 HydrophobicContact CB-CG1 3.77Å; F100-I236 HydrophobicContact CD2-CD1 4.49Å; F100-I236 PolarHBondContact N-O 3.32Å; F100-I236 VanDerWaalsContact N-O 3.08Å; F100-I236 PolarHBondContact O-N 3.37Å; I102-I236 HydrophobicContact CD1-CD1 3.61Å; I102-I236 HydrophobicContact CD1-CG1 4.23Å; D153-I236 HydrophobicContact CB-CB 4.35Å; D153-I236 HydrophobicContact CB-CD1 3.87Å; D153-I236 VanDerWaalsContact OD2-CD1 3.26Å; D153-I236 WeakPolarHBondContact OD2-CD1 3.48Å; R154-I236 CarbonylContact O-C 3.54Å; R154-I236 VanDerWaalsContact O-CA 3.26Å; R154-I236 WeakPolarHBondContact O-CA 3.49Å; I155-I236 HydrophobicContact CG1-CG2 4.21Å; L234-I236 HydrophobicContact CB-CG2 4.33Å
237	F	89.2	Confident	64.1	Low	1 Å²	1	66.1 Å²	66.1	0%	0.004	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120	169.1	-54.9	-35.2	0	0	0	109.6	I88 L91 L93 T97 G98 I99 R154 Y156	I88-F237 HydrophobicContact CD1-CE1 4.26Å; I88-F237 HydrophobicContact CG1-CE1 4.31Å; I88-F237 HydrophobicContact CG1-CZ 4.16Å; I88-F237 HydrophobicContact CG2-CE1 4.01Å; I88-F237 HydrophobicContact CG2-CZ 4.26Å; L91-F237 HydrophobicContact CD1-CE2 4.23Å; L91-F237 HydrophobicContact CD1-CZ 3.97Å; L93-F237 HydrophobicContact CD1-CD1 4.37Å; L93-F237 HydrophobicContact CD1-CE1 4.16Å; L93-F237 HydrophobicContact CD1-CZ 4.35Å; L93-F237 HydrophobicContact CD2-CD2 3.94Å; L93-F237 HydrophobicContact CD2-CE2 3.95Å; L93-F237 HydrophobicContact CD2-CG 4.33Å; L93-F237 HydrophobicContact CD2-CZ 4.35Å; T97-F237 HydrophobicContact CG2-CB 3.88Å; G98-F237 WeakPolarHBondContact O-CA 3.43Å; I99-F237 HydrophobicContact CB-CD1 4.48Å; I99-F237 HydrophobicContact CG1-CD1 3.96Å; I99-F237 HydrophobicContact CG1-CE1 4.14Å; I99-F237 HydrophobicContact CG2-CD1 4.2Å; I99-F237 HydrophobicContact CG2-CE1 4.12Å; R154-F237 HydrophobicContact CB-CB 4.37Å; R154-F237 PolarHBondContact N-O 2.91Å; R154-F237 PolarHBondContact O-N 3.45Å; Y156-F237 HydrophobicContact CD1-CZ 4.19Å; Y156-F237 AromaticContact CD2-CE2 3.55Å; Y156-F237 HydrophobicContact CD2-CE2 3.55Å; Y156-F237 AromaticContact CD2-CZ 3.57Å; Y156-F237 HydrophobicContact CD2-CZ 3.57Å; Y156-F237 HydrophobicContact CE2-CE2 4.39Å; Y156-F237 HydrophobicContact CE2-CZ 4.25Å; Y156-F237 HydrophobicContact CG-CE1 4.33Å; Y156-F237 AromaticContact CG-CE2 3.83Å; Y156-F237 HydrophobicContact CG-CE2 3.83Å; Y156-F237 AromaticContact CG-CZ 3.53Å; Y156-F237 HydrophobicContact CG-CZ 3.53Å
238	R	84.8	Confident	63.6	Low	31 Å²	31	67 Å²	67	12%	0.117	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111.2	176.3	-175.4	170.7	-66.3	156.7	3.1	109.3	G98 F100 D148 D153	G98-R238 PolarHBondContact N-O 2.78Å; G98-R238 PolarHBondContact O-N 2.78Å; F100-R238 HydrophobicContact CD2-CB 4.13Å; F100-R238 HydrophobicContact CE2-CB 3.82Å; D148-R238 PolarHBondContact O-NH2 3.23Å; D153-R238 WeakPolarHBondContact OD1-CB 3.31Å; D153-R238 VanDerWaalsContact OD1-CG 3.31Å; D153-R238 WeakPolarHBondContact OD1-CG 3.46Å; D153-R238 IonicContact OD1-CZ 3.59Å; D153-R238 IonicContact OD1-NE 2.71Å; D153-R238 PolarHBondContact OD1-NE 2.98Å; D153-R238 IonicContact OD1-NH2 3.64Å; D153-R238 PolarHBondContact OD1-NH2 3.33Å; D153-R238 IonicContact OD2-CZ 3.83Å; D153-R238 IonicContact OD2-NE 3.76Å; D153-R238 IonicContact OD2-NH2 2.72Å; D153-R238 PolarHBondContact OD2-NH2 2.97Å
239	Y	77.3	Confident	63.1	Low	32 Å²	32	67.5 Å²	67.5	13%	0.125	34%	0.34	C	S	.	.			trans	-74.8	148.9	177.4	-62.1	-62.6	0	0	0	111.2	P94 T97 F133 R154 K241 W246	P94-Y239 HydrophobicContact CG-CD1 4.18Å; P94-Y239 HydrophobicContact CG-CE1 3.91Å; T97-Y239 HydrophobicContact CG2-CD1 3.77Å; T97-Y239 HydrophobicContact CG2-CE1 3.65Å; T97-Y239 WeakPolarHBondContact OG1-CD1 3.38Å; T97-Y239 WeakPolarHBondContact OG1-CE1 3.27Å; F133-Y239 HydrophobicContact CE1-CE2 4.49Å; R154-Y239 HydrophobicContact CB-CE2 4.1Å; R154-Y239 VanDerWaalsContact CD-OH 3.3Å; R154-Y239 WeakPolarHBondContact CD-OH 3.43Å; R154-Y239 PolarHBondContact NH1-OH 3.29Å; Y239-K241 PolarHBondContact O-N 2.93Å; Y239-W246 HydrophobicContact CD2-CZ2 4.07Å; Y239-W246 AromaticContact CD2-NE1 3.94Å; Y239-W246 AromaticContact CG-NE1 3.92Å
240	P	64.7	Low	61.7	Low	43 Å²	43	71 Å²	71	28%	0.279	36%	0.36	S	S	.	.			trans	-65.4	136	178.4	26.8	-33.6	0	0	0	110.6	S242 L245	P240-S242 PolarHBondContact O-N 2.89Å; P240-L245 HydrophobicContact CG-CD1 3.94Å
241	K	56.2	Low	59.5	Low	167 Å²	167	66.1 Å²	66.1	73%	0.726	35%	0.349	S	S	*	.			trans	-76.1	46.1	-171.9	-60	-173.3	-179.8	-177.7	0	114	Y239	Y239-K241 PolarHBondContact O-N 2.93Å
242	S	40.2	Very low	56.8	Low	62 Å²	62	71 Å²	71	43%	0.434	38%	0.375	S	S	.	.			trans	-103.3	129.3	178.5	58	0	0	0	0	111.8	P240 S244 L245	P240-S242 PolarHBondContact O-N 2.89Å; S242-S244 PolarHBondContact O-N 2.76Å; S242-L245 PolarHBondContact O-N 3.49Å
243	N	34	Very low	54	Low	164 Å²	164	77.9 Å²	77.9	88%	0.877	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	3.1	-172.2	-69.5	5.8	0	0	0	116.7	S247	N243-S247 PolarHBondContact O-OG 2.87Å
244	S	33.6	Very low	51.1	Low	73 Å²	73	84.6 Å²	84.6	51%	0.51	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-23.3	-171.4	-169.5	0	0	0	0	114.3	S242 S247 N248	S242-S244 PolarHBondContact O-N 2.76Å; S244-S247 PolarHBondContact O-OG 2.82Å; S244-N248 PolarHBondContact O-ND2 3.37Å
245	L	34.3	Very low	48.2	Very low	76 Å²	76	91.4 Å²	91.4	40%	0.398	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-32.8	-171.2	-73.3	171	0	0	0	114.3	P240 S242	P240-L245 HydrophobicContact CG-CD1 3.94Å; S242-L245 PolarHBondContact O-N 3.49Å
246	W	35	Very low	45.2	Very low	137 Å²	137	100.9 Å²	100.9	52%	0.519	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-30.6	-177.7	-70.4	11.5	0	0	0	113.2	Y239	Y239-W246 HydrophobicContact CD2-CZ2 4.07Å; Y239-W246 AromaticContact CD2-NE1 3.94Å; Y239-W246 AromaticContact CG-NE1 3.92Å
247	S	29.5	Very low	42.2	Very low	54 Å²	54	109.3 Å²	109.3	38%	0.378	56%	0.562	S	S	.	*	H	α-helix	trans	-59.5	-54.8	171.7	38.4	0	0	0	0	111	N243 S244 Q249 I250 S251	N243-S247 PolarHBondContact O-OG 2.87Å; S244-S247 PolarHBondContact O-OG 2.82Å; S247-Q249 PolarHBondContact O-N 2.94Å; S247-I250 PolarHBondContact O-N 2.77Å; S247-I250 VanDerWaalsContact O-N 3.16Å; S247-S251 PolarHBondContact O-N 3.27Å; S247-S251 PolarHBondContact O-OG 3.42Å
248	N	29.8	Very low	39.6	Very low	103 Å²	103	117.2 Å²	117.2	55%	0.551	60%	0.603	S	S	*	*	H	α-helix	trans	-67.1	-4.2	-174.6	-76.6	-62	0	0	0	116.4	S244	S244-N248 PolarHBondContact O-ND2 3.37Å
249	Q	38.1	Very low	36.9	Very low	164 Å²	164	125.1 Å²	125.1	77%	0.766	64%	0.641	S	S	*	*	H	α-helix	trans	-111.4	-6.6	175.1	-68.1	-167.1	-23	0	0	114.3	S247	S247-Q249 PolarHBondContact O-N 2.94Å
250	I	34.9	Very low	34.6	Very low	151 Å²	151	128.9 Å²	128.9	77%	0.774	67%	0.668	S	S	*	*	H	α-helix	trans	-114.5	-26.9	176.3	-63.1	175.7	0	0	0	111.1	S247 N252	S247-I250 PolarHBondContact O-N 2.77Å; S247-I250 VanDerWaalsContact O-N 3.16Å; I250-N252 PolarHBondContact O-N 3.22Å; I250-N252 VanDerWaalsContact O-N 3.12Å
251	S	28.3	Very low	33.1	Very low	76 Å²	76	133.3 Å²	133.3	53%	0.531	69%	0.687	S	S	.	*			trans	-85.6	71.5	177.3	70.4	0	0	0	0	113.6	S247	S247-S251 PolarHBondContact O-N 3.27Å; S247-S251 PolarHBondContact O-OG 3.42Å
252	N	27.6	Very low	31.8	Very low	112 Å²	112	134.3 Å²	134.3	60%	0.599	70%	0.695	S	S	*	*			trans	-149.1	55.8	165.9	-85.9	-65.9	0	0	0	112.1	I250	I250-N252 PolarHBondContact O-N 3.22Å; I250-N252 VanDerWaalsContact O-N 3.12Å
253	D	29.3	Very low	31.3	Very low	144 Å²	144	137.5 Å²	137.5	77%	0.77	71%	0.707	S	S	*	*	S	Bend		-171.9	163.6	125	-91.4	-29.7	0	0	0	110.1
254	E	30.3	Very low	31.2	Very low	185 Å²	185	137.6 Å²	137.6	86%	0.864	71%	0.708	S	S	*	*	S	Bend	trans	49.6	62.8	170.3	-60.2	-168.2	-179	0	0	118.9
255	T	31.2	Very low	31.5	Very low	143 Å²	143	136.2 Å²	136.2	88%	0.877	70%	0.698	S	S	*	*				-178.4	138	122.8	24.2	0	0	0	0	111.9
256	K	28.9	Very low	32	Very low	200 Å²	200	136.4 Å²	136.4	87%	0.87	71%	0.706	S	S	*	*			trans	-132.8	159.1	165.8	-86.7	-173.9	176.3	176.8	0	109.1
257	E	28.9	Very low	33.2	Very low	178 Å²	178	135.6 Å²	135.6	83%	0.832	71%	0.706	S	S	*	*			trans	70.1	86	176.8	-55.2	-170.7	161.3	0	0	115.4
258	L	34.3	Very low	35	Very low	166 Å²	166	133.8 Å²	133.8	87%	0.869	69%	0.693	S	S	*	*				-156.5	114.2	111	-101.9	174.5	0	0	0	109.8	V260	L258-V260 HydrophobicContact CD2-CG2 4.49Å
259	Q	28.3	Very low	36.9	Very low	197 Å²	197	131.2 Å²	131.2	92%	0.921	68%	0.683	S	S	*	*			trans	-93.2	107.5	172.4	-74.9	-177	-29	0	0	109.5
260	V	29.8	Very low	38.6	Very low	112 Å²	112	126.5 Å²	126.5	68%	0.679	66%	0.659	S	S	*	*			trans	-138.1	104.8	171.5	-175.3	0	0	0	0	110.6	L258	L258-V260 HydrophobicContact CD2-CG2 4.49Å
261	I	32.5	Very low	40.6	Very low	135 Å²	135	119.5 Å²	119.5	69%	0.692	62%	0.623	S	S	*	*			trans	63.2	107.3	159.2	-56.3	169.8	0	0	0	116.8	N263	I261-N263 PolarHBondContact O-N 3.4Å
262	E	29.2	Very low	42.8	Very low	188 Å²	188	115.9 Å²	115.9	88%	0.879	60%	0.597	S	S	*	*			trans	-68.7	113.8	162	-60.1	175.1	134.8	0	0	110.2
263	N	30.7	Very low	45.3	Very low	129 Å²	129	111.1 Å²	111.1	69%	0.69	57%	0.572	S	S	*	*			trans	-127.6	101.4	167.9	-94.2	-27.7	0	0	0	109.6	I261 S265	I261-N263 PolarHBondContact O-N 3.4Å; N263-S265 PolarHBondContact O-N 2.99Å; N263-S265 PolarHBondContact O-OG 2.75Å
264	N	31.3	Very low	47.7	Very low	167 Å²	167	104.3 Å²	104.3	89%	0.893	54%	0.536	S	S	*	.			trans	-62.6	90.7	-178.6	-78.8	-43.7	0	0	0	111.9
265	S	39.6	Very low	49.8	Very low	44 Å²	44	96.6 Å²	96.6	31%	0.308	50%	0.5	S	S	.	.			trans	-116.8	106.5	171.7	37.7	0	0	0	0	107.5	N263 F267	N263-S265 PolarHBondContact O-N 2.99Å; N263-S265 PolarHBondContact O-OG 2.75Å; S265-F267 VanDerWaalsContact O-CD2 3.31Å; S265-F267 WeakPolarHBondContact O-CD2 3.2Å; S265-F267 PolarHBondContact O-N 2.89Å; S265-F267 VanDerWaalsContact O-N 3.08Å; S265-F267 WeakPolarHBondContact OG-CE2 3.34Å
266	S	45	Very low	51.9	Low	80 Å²	80	91.5 Å²	91.5	56%	0.559	47%	0.467	S	S	*	.			trans	-78.4	95.4	-177.3	-65.4	0	0	0	0	108.8	S268 I357	S266-S268 PolarHBondContact O-N 2.79Å; S266-I357 WeakPolarHBondContact O-CA 3.35Å; S266-I357 VanDerWaalsContact O-CB 3.24Å; S266-I357 WeakPolarHBondContact O-CB 3.11Å; S266-I357 WeakPolarHBondContact O-CD1 3.24Å; S266-I357 WeakPolarHBondContact O-CG1 3.11Å; S266-I357 PolarHBondContact O-N 3.5Å
267	F	60.9	Low	53.5	Low	119 Å²	119	85.3 Å²	85.3	52%	0.522	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	116.2	173.5	-67.4	-85.2	0	0	0	110.4	S265 R355 N356	S265-F267 VanDerWaalsContact O-CD2 3.31Å; S265-F267 WeakPolarHBondContact O-CD2 3.2Å; S265-F267 PolarHBondContact O-N 2.89Å; S265-F267 VanDerWaalsContact O-N 3.08Å; S265-F267 WeakPolarHBondContact OG-CE2 3.34Å; F267-R355 CarbonylContact C-O 3.56Å; F267-R355 WeakPolarHBondContact CA-O 3.48Å; F267-N356 HydrophobicContact CD1-CB 4.07Å; F267-N356 HydrophobicContact CE1-CB 3.84Å
268	S	66.2	Low	54.9	Low	16 Å²	16	79.9 Å²	79.9	11%	0.112	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.9	161.2	39.7	0	0	0	0	108.9	S266 Y270 S354 R355 I357	S266-S268 PolarHBondContact O-N 2.79Å; S268-Y270 VanDerWaalsContact CB-CE2 3.49Å; S268-Y270 VanDerWaalsContact CB-OH 3.26Å; S268-Y270 WeakPolarHBondContact CB-OH 3.36Å; S268-Y270 WeakPolarHBondContact OG-CE2 3.45Å; S268-Y270 PolarHBondContact OG-OH 3.44Å; S268-S354 WeakPolarHBondContact O-CA 3.4Å; S268-R355 PolarHBondContact N-O 2.85Å; S268-R355 PolarHBondContact O-N 2.72Å; S268-R355 PolarHBondContact OG-O 3.3Å; S268-I357 VanDerWaalsContact OG-CG1 3.23Å; S268-I357 WeakPolarHBondContact OG-CG1 3.47Å
269	C	70.1	Confident	55.9	Low	49 Å²	49	77.9 Å²	77.9	33%	0.331	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	146.4	163.8	-171.1	0	0	0	0	109.4	M151 K352 C353	M151-C269 HydrophobicContact CE-CB 4.19Å; M151-C269 WeakPolarHBondContact CE-O 3.48Å; C269-K352 WeakPolarHBondContact SG-CE 3.45Å; C269-K352 VanDerWaalsContact SG-CG 3.54Å; C269-C353 CarbonylContact C-O 3.59Å; C269-C353 VanDerWaalsContact CA-O 3.3Å; C269-C353 WeakPolarHBondContact CA-O 3.37Å; C269-C353 PolarHBondContact SG-O 3.49Å
270	Y	73.5	Confident	57.2	Low	66 Å²	66	75.3 Å²	75.3	26%	0.259	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.6	167.3	-56.1	-87	0	0	0	109	S268 V312 K352 C353 R355	S268-Y270 VanDerWaalsContact CB-CE2 3.49Å; S268-Y270 VanDerWaalsContact CB-OH 3.26Å; S268-Y270 WeakPolarHBondContact CB-OH 3.36Å; S268-Y270 WeakPolarHBondContact OG-CE2 3.45Å; S268-Y270 PolarHBondContact OG-OH 3.44Å; Y270-V312 HydrophobicContact CD1-CG1 4.48Å; Y270-K352 WeakPolarHBondContact O-CA 3.33Å; Y270-C353 PolarHBondContact N-O 3.16Å; Y270-C353 PolarHBondContact O-N 3.35Å; Y270-R355 HydrophobicContact CD2-CB 4.27Å; Y270-R355 HydrophobicContact CE2-CB 3.73Å; Y270-R355 HydrophobicContact CE2-CG 4.48Å; Y270-R355 VanDerWaalsContact CE2-CZ 3.4Å; Y270-R355 PolarHBondContact OH-NH1 2.79Å
271	E	76	Confident	58.6	Low	4 Å²	4	75.1 Å²	75.1	2%	0.019	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	135.3	172.2	-168.7	179.5	-113.2	0	0	110.4	V119 R121 S135 G136 M151 Q350 I351 K352	V119-E271 HydrophobicContact CG1-CG 4.42Å; V119-E271 VanDerWaalsContact CG1-OE2 3.31Å; V119-E271 WeakPolarHBondContact CG1-OE2 3.29Å; R121-E271 IonicContact CZ-OE1 3.55Å; R121-E271 IonicContact NE-OE1 2.68Å; R121-E271 PolarHBondContact NE-OE1 2.71Å; R121-E271 IonicContact NH2-OE1 3.56Å; R121-E271 PolarHBondContact NH2-OE1 2.61Å; S135-E271 WeakPolarHBondContact CB-OE2 3.25Å; S135-E271 VanDerWaalsContact OG-CD 3.25Å; S135-E271 PolarHBondContact OG-OE1 3.16Å; S135-E271 PolarHBondContact OG-OE2 2.75Å; G136-E271 VanDerWaalsContact CA-O 3.31Å; G136-E271 WeakPolarHBondContact CA-O 3.4Å; M151-E271 HydrophobicContact CE-CB 4.37Å; E271-Q350 HydrophobicContact CG-CG 3.92Å; E271-Q350 PolarHBondContact OE1-NE2 3.18Å; E271-Q350 PolarHBondContact OE2-NE2 3.16Å; E271-I351 VanDerWaalsContact CA-O 3.31Å; E271-I351 WeakPolarHBondContact CA-O 3.19Å; E271-K352 HydrophobicContact CB-CB 4.37Å; E271-K352 HydrophobicContact CG-CB 4.05Å
272	T	76.3	Confident	60.4	Low	0 Å²	0	70 Å²	70	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	171.5	177.6	-171.5	0	0	0	0	110.8	L274 D310 L313 Q350 I351	T272-L274 HydrophobicContact CG2-CD2 4.1Å; T272-L274 HydrophobicContact CG2-CG 4.37Å; T272-D310 VanDerWaalsContact CB-OD2 3.25Å; T272-D310 WeakPolarHBondContact CB-OD2 3.24Å; T272-D310 WeakPolarHBondContact CG2-OD2 3.08Å; T272-D310 PolarHBondContact OG1-OD1 2.96Å; T272-D310 PolarHBondContact OG1-OD2 3.45Å; T272-L313 HydrophobicContact CG2-CD1 3.9Å; T272-L313 HydrophobicContact CG2-CD2 4Å; T272-L313 HydrophobicContact CG2-CG 3.76Å; T272-Q350 CarbonylContact O-C 3.58Å; T272-Q350 VanDerWaalsContact O-CA 3.24Å; T272-Q350 WeakPolarHBondContact O-CA 3.37Å; T272-I351 PolarHBondContact N-O 3.09Å; T272-I351 VanDerWaalsContact N-O 3.09Å; T272-I351 PolarHBondContact O-N 2.98Å
273	V	79.3	Confident	62.7	Low	12 Å²	12	61.9 Å²	61.9	7%	0.073	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	103.7	174.9	-174.4	0	0	0	0	110.8	R115 V119 Y348 V349 Q350	R115-V273 PolarHBondContact NH2-O 3.12Å; V119-V273 HydrophobicContact CB-CG2 4.3Å; V119-V273 HydrophobicContact CG1-CG2 3.76Å; V119-V273 HydrophobicContact CG2-CG2 3.54Å; V273-Y348 HydrophobicContact CG1-CD1 4.47Å; V273-V349 WeakPolarHBondContact CA-O 3.23Å; V273-Q350 HydrophobicContact CG2-CB 3.85Å; V273-Q350 HydrophobicContact CG2-CG 3.96Å
274	L	79.1	Confident	65.1	Low	0 Å²	0	56 Å²	56	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	141.7	179.7	-52.4	-178.7	0	0	0	111	T272 L283 L285 Q306 A307 D310 L313 Y348 V349 I351	T272-L274 HydrophobicContact CG2-CD2 4.1Å; T272-L274 HydrophobicContact CG2-CG 4.37Å; L274-L283 HydrophobicContact CB-CD2 4.02Å; L274-L283 HydrophobicContact CD1-CB 4.03Å; L274-L283 HydrophobicContact CD1-CD1 4.37Å; L274-L285 HydrophobicContact CD1-CD1 4.1Å; L274-Q306 HydrophobicContact CB-CG 4.04Å; L274-Q306 HydrophobicContact CD2-CG 4.29Å; L274-A307 HydrophobicContact CD1-CB 3.9Å; L274-D310 HydrophobicContact CD2-CB 3.53Å; L274-L313 HydrophobicContact CD1-CD1 4.17Å; L274-Y348 WeakPolarHBondContact O-CA 3.29Å; L274-V349 PolarHBondContact N-O 3.13Å; L274-V349 PolarHBondContact O-N 2.71Å; L274-I351 HydrophobicContact CD1-CD1 4Å
275	E	75.5	Confident	67.7	Low	24 Å²	24	49.2 Å²	49.2	11%	0.112	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.2	166.9	-169.6	166.3	151.8	0	0	109.5	R114 E277 K347 Y348	R114-E275 VanDerWaalsContact NH1-CD 3.31Å; R114-E275 IonicContact NH1-OE1 2.59Å; R114-E275 PolarHBondContact NH1-OE1 3.24Å; R114-E275 IonicContact NH1-OE2 3.16Å; R114-E275 PolarHBondContact NH1-OE2 3.4Å; R114-E275 VanDerWaalsContact NH1-OE2 3.08Å; E275-E277 VanDerWaalsContact C-N 3.32Å; E275-E277 PolarHBondContact O-N 2.85Å; E275-K347 WeakPolarHBondContact CA-O 3.4Å; E275-K347 HydrophobicContact CG-CG 4.42Å; E275-K347 WeakPolarHBondContact OE1-CE 3.41Å; E275-K347 IonicContact OE1-NZ 3.34Å; E275-K347 PolarHBondContact OE1-NZ 3.38Å; E275-K347 IonicContact OE2-NZ 3.45Å; E275-Y348 HydrophobicContact CB-CD1 3.97Å; E275-Y348 HydrophobicContact CB-CE1 3.63Å; E275-Y348 VanDerWaalsContact CD-OH 3.29Å; E275-Y348 HydrophobicContact CG-CD1 4.08Å; E275-Y348 HydrophobicContact CG-CE1 3.49Å; E275-Y348 VanDerWaalsContact CG-CE1 3.49Å; E275-Y348 WeakPolarHBondContact OE2-CE1 3.42Å; E275-Y348 VanDerWaalsContact OE2-CZ 3.27Å; E275-Y348 PolarHBondContact OE2-OH 2.95Å
276	N	73.9	Confident	69.9	Low	35 Å²	35	50.6 Å²	50.6	19%	0.187	29%	0.288	C	S	.	.			trans	-78.2	86.6	169.3	-173.1	10	0	0	0	108.6	G278 L283 C343 K347	N276-G278 PolarHBondContact O-N 3.48Å; N276-G278 VanDerWaalsContact O-N 3.1Å; N276-L283 HydrophobicContact CB-CD2 3.94Å; N276-C343 PolarHBondContact ND2-O 2.91Å; N276-K347 PolarHBondContact N-O 3.29Å
277	E	63.3	Low	71.9	Confident	70 Å²	70	49 Å²	49	33%	0.327	27%	0.273	S	S	.	.			trans	-63.6	105.4	169	-64.6	-179.7	155.1	0	0	108.4	E275 N279 R309	E275-E277 VanDerWaalsContact C-N 3.32Å; E275-E277 PolarHBondContact O-N 2.85Å; E277-N279 PolarHBondContact O-N 2.76Å; E277-R309 IonicContact OE1-NH2 2.68Å; E277-R309 PolarHBondContact OE1-NH2 2.96Å; E277-R309 VanDerWaalsContact OE1-NH2 3.16Å; E277-R309 IonicContact OE2-CZ 3.91Å; E277-R309 IonicContact OE2-NH1 2.85Å; E277-R309 IonicContact OE2-NH2 3.99Å; E277-R309 PolarHBondContact OE2-NH2 2.93Å
278	G	58.7	Low	72.8	Confident	64 Å²	64	43.8 Å²	43.8	66%	0.66	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	18.9	-171.1	0	0	0	0	0	116.9	N276 N280	N276-G278 PolarHBondContact O-N 3.48Å; N276-G278 VanDerWaalsContact O-N 3.1Å; G278-N280 PolarHBondContact O-N 3.08Å; G278-N280 VanDerWaalsContact O-N 3.14Å
279	N	54.9	Low	73.5	Confident	124 Å²	124	44 Å²	44	66%	0.663	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	36.1	179.9	-57	-25.4	0	0	0	111.9	E277 N281	E277-N279 PolarHBondContact O-N 2.76Å; N279-N281 PolarHBondContact O-N 2.65Å
280	N	55.4	Low	73.7	Confident	144 Å²	144	43.2 Å²	43.2	77%	0.77	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	-14.7	-173.6	-66.2	-8.1	0	0	0	118	G278 G282	G278-N280 PolarHBondContact O-N 3.08Å; G278-N280 VanDerWaalsContact O-N 3.14Å; N280-G282 PolarHBondContact O-N 2.82Å
281	N	59	Low	73	Confident	108 Å²	108	48.1 Å²	48.1	58%	0.578	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-21.8	179.9	-72.4	-4.8	0	0	0	114.3	N279	N279-N281 PolarHBondContact O-N 2.65Å
282	G	69.5	Low	72.5	Confident	27 Å²	27	54.8 Å²	54.8	28%	0.278	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-155.9	-177.7	0	0	0	0	0	113.3	N280	N280-G282 PolarHBondContact O-N 2.82Å
283	L	78.5	Confident	71.9	Confident	18 Å²	18	58.8 Å²	58.8	9%	0.094	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-21	-175.2	-57.6	-173.9	0	0	0	114.4	L274 N276 A307 C343 V349 I351	L274-L283 HydrophobicContact CB-CD2 4.02Å; L274-L283 HydrophobicContact CD1-CB 4.03Å; L274-L283 HydrophobicContact CD1-CD1 4.37Å; N276-L283 HydrophobicContact CB-CD2 3.94Å; L283-A307 VanDerWaalsContact O-CB 3.23Å; L283-A307 WeakPolarHBondContact O-CB 3.29Å; L283-A307 PolarHBondContact O-N 2.67Å; L283-C343 HydrophobicContact CD1-CB 4.43Å; L283-V349 HydrophobicContact CD1-CB 3.77Å; L283-V349 HydrophobicContact CD1-CG1 3.83Å; L283-V349 HydrophobicContact CD1-CG2 3.93Å; L283-V349 HydrophobicContact CD2-CB 4.3Å; L283-V349 HydrophobicContact CD2-CG2 4.06Å; L283-I351 HydrophobicContact CD1-CD1 4.14Å
284	G	81.6	Confident	71.4	Confident	4 Å²	4	61.6 Å²	61.6	4%	0.041	34%	0.342	C	S	.	.			trans	91.5	12.7	-174.6	0	0	0	0	0	116.9	F302 S305	G284-F302 PolarHBondContact O-N 2.61Å; G284-S305 WeakPolarHBondContact CA-OG 3.33Å
285	L	85.9	Confident	71.3	Confident	26 Å²	26	62.2 Å²	62.2	14%	0.136	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.3	-176.2	-63.2	174.2	0	0	0	111.6	L274 I287 I298 I301 A307 L313 I351	L274-L285 HydrophobicContact CD1-CD1 4.1Å; L285-I287 HydrophobicContact CB-CD1 4.19Å; L285-I287 HydrophobicContact CB-CG1 4Å; L285-I287 HydrophobicContact CD1-CD1 4.5Å; L285-I298 HydrophobicContact CD2-CD1 4.13Å; L285-I298 HydrophobicContact CD2-CG2 4.08Å; L285-I301 HydrophobicContact CD2-CD1 4.34Å; L285-I301 HydrophobicContact CD2-CG1 3.98Å; L285-A307 HydrophobicContact CD2-CB 3.45Å; L285-A307 VanDerWaalsContact CD2-CB 3.45Å; L285-A307 HydrophobicContact CG-CB 3.76Å; L285-L313 HydrophobicContact CD1-CD1 3.82Å; L285-L313 HydrophobicContact CD2-CD1 4.06Å; L285-I351 HydrophobicContact CD1-CD1 3.43Å; L285-I351 VanDerWaalsContact CD1-CD1 3.43Å
286	Q	85.3	Confident	71.8	Confident	72 Å²	72	61.3 Å²	61.3	34%	0.336	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	127.2	158.8	-170	-178.4	1	0	0	108.6	V299 S300 F302	Q286-V299 HydrophobicContact CB-CB 4.48Å; Q286-V299 HydrophobicContact CG-CB 4.23Å; Q286-V299 HydrophobicContact CG-CG1 4.48Å; Q286-V299 PolarHBondContact O-N 3.46Å; Q286-S300 WeakPolarHBondContact CB-OG 3.41Å; Q286-S300 PolarHBondContact N-O 3.07Å; Q286-S300 PolarHBondContact O-N 3.46Å; Q286-S300 PolarHBondContact OE1-OG 2.89Å; Q286-F302 HydrophobicContact CB-CE2 4.4Å; Q286-F302 HydrophobicContact CB-CZ 4.21Å
287	I	86.1	Confident	72.5	Confident	47 Å²	47	62.2 Å²	62.2	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.6	-172.8	-60.5	-179.8	0	0	0	108.9	L285 I296 Y297 L336 V339	L285-I287 HydrophobicContact CB-CD1 4.19Å; L285-I287 HydrophobicContact CB-CG1 4Å; L285-I287 HydrophobicContact CD1-CD1 4.5Å; I287-I296 HydrophobicContact CG2-CG2 3.18Å; I287-Y297 WeakPolarHBondContact CA-O 2.98Å; I287-L336 HydrophobicContact CB-CD2 4.47Å; I287-L336 HydrophobicContact CG2-CD2 3.87Å; I287-V339 HydrophobicContact CD1-CG1 3.98Å
288	G	81.6	Confident	73.8	Confident	10 Å²	10	59 Å²	59	10%	0.103	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	-163.2	-179.7	0	0	0	0	0	112	I296 Y297	G288-I296 CarbonylContact O-C 3.51Å; G288-I296 WeakPolarHBondContact O-CA 3.17Å; G288-Y297 PolarHBondContact N-O 2.85Å; G288-Y297 PolarHBondContact O-N 2.87Å
289	S	80.6	Confident	75.2	Confident	19 Å²	19	58.4 Å²	58.4	13%	0.133	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	167.2	176.6	54.7	0	0	0	0	112.3	N293 G295	S289-N293 VanDerWaalsContact CB-OD1 3.26Å; S289-N293 WeakPolarHBondContact CB-OD1 3.4Å; S289-N293 PolarHBondContact OG-OD1 2.79Å; S289-G295 WeakPolarHBondContact CA-O 3.32Å; S289-G295 WeakPolarHBondContact CB-O 3.35Å
290	N	72.8	Confident	76.6	Confident	34 Å²	34	53.7 Å²	53.7	18%	0.182	29%	0.291	C	S	.	.			trans	-87.8	171.8	170.6	66.5	-32.3	0	0	0	111.8	E292 N293 T294 G295 Y297 L537	N290-E292 PolarHBondContact O-N 2.78Å; N290-N293 PolarHBondContact O-N 2.95Å; N290-T294 PolarHBondContact ND2-OG1 2.9Å; N290-T294 PolarHBondContact OD1-N 3.48Å; N290-T294 PolarHBondContact OD1-OG1 2.85Å; N290-G295 PolarHBondContact OD1-N 2.85Å; N290-Y297 HydrophobicContact CB-CD2 3.93Å; N290-Y297 HydrophobicContact CB-CE2 3.52Å; N290-Y297 VanDerWaalsContact CG-CE2 3.43Å; N290-L537 WeakPolarHBondContact O-CD2 3.02Å
291	Q	60.3	Low	78.1	Confident	169 Å²	169	48.2 Å²	48.2	79%	0.79	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-11.7	-176.3	-71.2	-177.3	-31.3	0	0	116.4	L537	Q291-L537 HydrophobicContact CB-CD1 4.08Å; Q291-L537 HydrophobicContact CG-CB 4.39Å; Q291-L537 HydrophobicContact CG-CD1 4.21Å; Q291-L537 HydrophobicContact CG-CD2 4.41Å; Q291-L537 WeakPolarHBondContact O-CD1 3.47Å
292	E	64.1	Low	79.4	Confident	144 Å²	144	46.9 Å²	46.9	67%	0.673	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-2	177.5	-55	175.4	154.9	0	0	112.5	N290 T294	N290-E292 PolarHBondContact O-N 2.78Å; E292-T294 HydrophobicContact CB-CG2 3.65Å; E292-T294 PolarHBondContact O-N 3.11Å; E292-T294 VanDerWaalsContact O-N 3.09Å; E292-T294 PolarHBondContact OE2-OG1 3Å
293	N	64.9	Low	80	Confident	83 Å²	83	53.8 Å²	53.8	44%	0.444	27%	0.273	S	S	.	.			trans	51	22.8	-166.3	-77.9	-38.9	0	0	0	114.3	S289 N290 G295 T332	S289-N293 VanDerWaalsContact CB-OD1 3.26Å; S289-N293 WeakPolarHBondContact CB-OD1 3.4Å; S289-N293 PolarHBondContact OG-OD1 2.79Å; N290-N293 PolarHBondContact O-N 2.95Å; N293-G295 VanDerWaalsContact C-N 3.26Å; N293-G295 PolarHBondContact O-N 2.87Å; N293-T332 PolarHBondContact O-OG1 2.71Å; N293-T332 VanDerWaalsContact O-OG1 3.12Å
294	T	67.8	Low	80	Confident	72 Å²	72	59.3 Å²	59.3	44%	0.442	30%	0.302	S	S	.	.			trans	-81	4.6	-176.6	50.3	0	0	0	0	113.9	N290 E292 R318	N290-T294 PolarHBondContact ND2-OG1 2.9Å; N290-T294 PolarHBondContact OD1-N 3.48Å; N290-T294 PolarHBondContact OD1-OG1 2.85Å; E292-T294 HydrophobicContact CB-CG2 3.65Å; E292-T294 PolarHBondContact O-N 3.11Å; E292-T294 VanDerWaalsContact O-N 3.09Å; E292-T294 PolarHBondContact OE2-OG1 3Å; T294-R318 PolarHBondContact O-NH2 2.93Å
295	G	78	Confident	80	Confident	13 Å²	13	59.6 Å²	59.6	13%	0.134	30%	0.304	C	S	.	.	S	Bend	trans	174.9	-179.7	168.8	0	0	0	0	0	114.3	S289 N290 N293 Y297	S289-G295 WeakPolarHBondContact CA-O 3.32Å; S289-G295 WeakPolarHBondContact CB-O 3.35Å; N290-G295 PolarHBondContact OD1-N 2.85Å; N293-G295 VanDerWaalsContact C-N 3.26Å; N293-G295 PolarHBondContact O-N 2.87Å; G295-Y297 WeakPolarHBondContact O-CD2 3.42Å; G295-Y297 WeakPolarHBondContact O-CE2 3.49Å
296	I	86.1	Confident	79.6	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.2	178.9	-61.6	-52	0	0	0	110.1	I287 G288 R318 V319 T332 A335 L336	I287-I296 HydrophobicContact CG2-CG2 3.18Å; G288-I296 CarbonylContact O-C 3.51Å; G288-I296 WeakPolarHBondContact O-CA 3.17Å; I296-R318 CarbonylContact O-C 3.58Å; I296-R318 WeakPolarHBondContact O-CA 3.39Å; I296-R318 WeakPolarHBondContact O-CG 3.37Å; I296-V319 HydrophobicContact CB-CB 4.41Å; I296-V319 HydrophobicContact CG2-CB 4.08Å; I296-V319 HydrophobicContact CG2-CG2 4.18Å; I296-V319 PolarHBondContact O-N 2.68Å; I296-T332 HydrophobicContact CD1-CG2 4.06Å; I296-A335 HydrophobicContact CD1-CB 3.97Å; I296-A335 HydrophobicContact CG1-CB 3.56Å; I296-L336 HydrophobicContact CD1-CD2 4.3Å; I296-L336 HydrophobicContact CD1-CG 3.88Å
297	Y	88.7	Confident	79.6	Confident	54 Å²	54	56.4 Å²	56.4	21%	0.212	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.7	-174	-65.5	-102.1	0	0	0	111.4	I287 G288 N290 G295 V299 D317 R318	I287-Y297 WeakPolarHBondContact CA-O 2.98Å; G288-Y297 PolarHBondContact N-O 2.85Å; G288-Y297 PolarHBondContact O-N 2.87Å; N290-Y297 HydrophobicContact CB-CD2 3.93Å; N290-Y297 HydrophobicContact CB-CE2 3.52Å; N290-Y297 VanDerWaalsContact CG-CE2 3.43Å; G295-Y297 WeakPolarHBondContact O-CD2 3.42Å; G295-Y297 WeakPolarHBondContact O-CE2 3.49Å; Y297-V299 PolarHBondContact O-N 3.04Å; Y297-D317 CarbonylContact C-O 3.6Å; Y297-D317 VanDerWaalsContact CA-O 3.28Å; Y297-D317 WeakPolarHBondContact CA-O 3.5Å; Y297-R318 HydrophobicContact CD1-CB 3.81Å; Y297-R318 HydrophobicContact CD1-CG 4.19Å; Y297-R318 HydrophobicContact CD2-CG 4.48Å; Y297-R318 HydrophobicContact CE1-CB 3.56Å; Y297-R318 HydrophobicContact CE1-CG 3.76Å; Y297-R318 HydrophobicContact CE2-CG 4.03Å; Y297-R318 HydrophobicContact CG-CB 4.49Å; Y297-R318 WeakPolarHBondContact OH-CD 3.48Å
298	I	89	Confident	79.4	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	115.3	169.6	-59	-178.7	0	0	0	108	L285 I301 L313 G316 D317 V319	L285-I298 HydrophobicContact CD2-CD1 4.13Å; L285-I298 HydrophobicContact CD2-CG2 4.08Å; I298-I301 HydrophobicContact CG2-CD1 4.32Å; I298-I301 HydrophobicContact CG2-CG1 3.84Å; I298-L313 HydrophobicContact CD1-CB 3.85Å; I298-L313 HydrophobicContact CD1-CD1 4.02Å; I298-L313 HydrophobicContact CD1-CD2 4.05Å; I298-L313 HydrophobicContact CD1-CG 4.19Å; I298-G316 PolarHBondContact O-N 3.39Å; I298-D317 HydrophobicContact CD1-CB 4.15Å; I298-D317 HydrophobicContact CG1-CB 4.42Å; I298-D317 PolarHBondContact N-O 2.76Å; I298-V319 HydrophobicContact CG1-CG2 3.92Å
299	V	88.1	Confident	79.2	Confident	53 Å²	53	63.1 Å²	63.1	32%	0.321	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-44.4	-176.6	174.5	0	0	0	0	111.1	Q286 Y297	Q286-V299 HydrophobicContact CB-CB 4.48Å; Q286-V299 HydrophobicContact CG-CB 4.23Å; Q286-V299 HydrophobicContact CG-CG1 4.48Å; Q286-V299 PolarHBondContact O-N 3.46Å; Y297-V299 PolarHBondContact O-N 3.04Å
300	S	86.2	Confident	79	Confident	25 Å²	25	62.3 Å²	62.3	18%	0.175	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	159.9	172.6	75.8	0	0	0	0	111.8	Q286 E315	Q286-S300 WeakPolarHBondContact CB-OG 3.41Å; Q286-S300 PolarHBondContact N-O 3.07Å; Q286-S300 PolarHBondContact O-N 3.46Å; Q286-S300 PolarHBondContact OE1-OG 2.89Å; S300-E315 WeakPolarHBondContact CA-OE1 3.37Å
301	I	87	Confident	79.3	Confident	28 Å²	28	62.5 Å²	62.5	14%	0.144	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.9	172.1	-55.6	-176.4	0	0	0	109.1	L285 I298 A307 E308 L313 E315	L285-I301 HydrophobicContact CD2-CD1 4.34Å; L285-I301 HydrophobicContact CD2-CG1 3.98Å; I298-I301 HydrophobicContact CG2-CD1 4.32Å; I298-I301 HydrophobicContact CG2-CG1 3.84Å; I301-A307 HydrophobicContact CG2-CB 3.87Å; I301-E308 HydrophobicContact CG2-CB 3.99Å; I301-L313 HydrophobicContact CD1-CB 4.23Å; I301-L313 WeakPolarHBondContact CD1-O 3.31Å; I301-E315 HydrophobicContact CG1-CG 4.09Å; I301-E315 PolarHBondContact N-OE1 3.3Å
302	F	84.9	Confident	80.2	Confident	80 Å²	80	56 Å²	56	35%	0.351	29%	0.287	S	S	.	.			trans	-73.3	140.4	-176.8	-65.1	-59.5	0	0	0	112	G284 Q286 S305	G284-F302 PolarHBondContact O-N 2.61Å; Q286-F302 HydrophobicContact CB-CE2 4.4Å; Q286-F302 HydrophobicContact CB-CZ 4.21Å; F302-S305 WeakPolarHBondContact O-CB 3.26Å; F302-S305 PolarHBondContact O-N 3.47Å; F302-S305 PolarHBondContact O-OG 2.85Å
303	K	82	Confident	81.2	Confident	172 Å²	172	49.3 Å²	49.3	75%	0.748	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	148.3	179.9	-62.2	-170.4	175.5	-179.5	0	112.8	S305 E308	K303-S305 PolarHBondContact O-N 3.13Å; K303-S305 VanDerWaalsContact O-N 3.16Å; K303-E308 WeakPolarHBondContact CA-OE2 3.3Å
304	N	78.3	Confident	82.3	Confident	134 Å²	134	52.5 Å²	52.5	72%	0.717	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	8.5	-174	-57.4	-58	0	0	0	115.4	E308 R309	N304-E308 PolarHBondContact N-OE2 2.88Å; N304-R309 PolarHBondContact O-NH1 2.88Å
305	S	82.3	Confident	83.2	Confident	10 Å²	10	54.7 Å²	54.7	7%	0.07	27%	0.267	C	S	.	.	S	Bend	trans	-84.5	166.9	-175.3	75.9	0	0	0	0	113.7	G284 F302 K303 A307 E308 R309	G284-S305 WeakPolarHBondContact CA-OG 3.33Å; F302-S305 WeakPolarHBondContact O-CB 3.26Å; F302-S305 PolarHBondContact O-N 3.47Å; F302-S305 PolarHBondContact O-OG 2.85Å; K303-S305 PolarHBondContact O-N 3.13Å; K303-S305 VanDerWaalsContact O-N 3.16Å; S305-A307 VanDerWaalsContact C-N 3.3Å; S305-A307 PolarHBondContact O-N 3.04Å; S305-E308 PolarHBondContact O-N 2.87Å; S305-E308 PolarHBondContact OG-N 2.93Å; S305-R309 VanDerWaalsContact O-CG 3.28Å; S305-R309 WeakPolarHBondContact O-CG 3.27Å; S305-R309 PolarHBondContact O-N 2.68Å
306	Q	78.1	Confident	83.6	Confident	32 Å²	32	56.6 Å²	56.6	15%	0.15	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-35.1	177.7	-176.1	60.7	14.6	0	0	112.8	L274 R309 D310	L274-Q306 HydrophobicContact CB-CG 4.04Å; L274-Q306 HydrophobicContact CD2-CG 4.29Å; Q306-R309 VanDerWaalsContact OE1-NE 3.1Å; Q306-D310 WeakPolarHBondContact O-CB 3.4Å; Q306-D310 PolarHBondContact O-N 2.99Å
307	A	83.8	Confident	83.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-38	174.7	0	0	0	0	0	113.3	L274 L283 L285 I301 S305 D310 G311	L274-A307 HydrophobicContact CD1-CB 3.9Å; L283-A307 VanDerWaalsContact O-CB 3.23Å; L283-A307 WeakPolarHBondContact O-CB 3.29Å; L283-A307 PolarHBondContact O-N 2.67Å; L285-A307 HydrophobicContact CD2-CB 3.45Å; L285-A307 VanDerWaalsContact CD2-CB 3.45Å; L285-A307 HydrophobicContact CG-CB 3.76Å; I301-A307 HydrophobicContact CG2-CB 3.87Å; S305-A307 VanDerWaalsContact C-N 3.3Å; S305-A307 PolarHBondContact O-N 3.04Å; A307-D310 PolarHBondContact O-N 2.83Å; A307-G311 PolarHBondContact O-N 3.37Å
308	E	83.5	Confident	83.8	Confident	85 Å²	85	56.8 Å²	56.8	40%	0.397	29%	0.287	S	S	.	.	H	α-helix	trans	-69.4	-41.6	175.1	-169.1	-173.1	-124.4	0	0	111.3	I301 K303 N304 S305 D310 G311	I301-E308 HydrophobicContact CG2-CB 3.99Å; K303-E308 WeakPolarHBondContact CA-OE2 3.3Å; N304-E308 PolarHBondContact N-OE2 2.88Å; S305-E308 PolarHBondContact O-N 2.87Å; S305-E308 PolarHBondContact OG-N 2.93Å; E308-D310 PolarHBondContact O-N 3.19Å; E308-G311 PolarHBondContact O-N 2.9Å
309	R	76.7	Confident	83.7	Confident	112 Å²	112	57 Å²	57	42%	0.423	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-29.6	175.2	-66.5	-177.2	-52.6	-130.5	22.6	112.8	H139 E277 N304 S305 Q306	H139-R309 PolarHBondContact ND1-O 3.4Å; H139-R309 VanDerWaalsContact ND1-O 3.09Å; E277-R309 IonicContact OE1-NH2 2.68Å; E277-R309 PolarHBondContact OE1-NH2 2.96Å; E277-R309 VanDerWaalsContact OE1-NH2 3.16Å; E277-R309 IonicContact OE2-CZ 3.91Å; E277-R309 IonicContact OE2-NH1 2.85Å; E277-R309 IonicContact OE2-NH2 3.99Å; E277-R309 PolarHBondContact OE2-NH2 2.93Å; N304-R309 PolarHBondContact O-NH1 2.88Å; S305-R309 VanDerWaalsContact O-CG 3.28Å; S305-R309 WeakPolarHBondContact O-CG 3.27Å; S305-R309 PolarHBondContact O-N 2.68Å; Q306-R309 VanDerWaalsContact OE1-NE 3.1Å
310	D	76.3	Confident	83.7	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.011	27%	0.274	C	S	.	.	H	α-helix	trans	-81.2	-40.4	174.8	-176.9	77.1	0	0	0	112.9	H139 T272 L274 Q306 A307 E308 V312	H139-D310 HydrophobicContact CB-CB 4.44Å; H139-D310 WeakPolarHBondContact CB-O 3.28Å; H139-D310 VanDerWaalsContact CB-OD1 3.28Å; H139-D310 WeakPolarHBondContact CB-OD1 3.39Å; H139-D310 PolarHBondContact N-OD1 3.41Å; H139-D310 PolarHBondContact ND1-O 3.11Å; H139-D310 VanDerWaalsContact ND1-O 3.15Å; T272-D310 VanDerWaalsContact CB-OD2 3.25Å; T272-D310 WeakPolarHBondContact CB-OD2 3.24Å; T272-D310 WeakPolarHBondContact CG2-OD2 3.08Å; T272-D310 PolarHBondContact OG1-OD1 2.96Å; T272-D310 PolarHBondContact OG1-OD2 3.45Å; L274-D310 HydrophobicContact CD2-CB 3.53Å; Q306-D310 WeakPolarHBondContact O-CB 3.4Å; Q306-D310 PolarHBondContact O-N 2.99Å; A307-D310 PolarHBondContact O-N 2.83Å; E308-D310 PolarHBondContact O-N 3.19Å; D310-V312 PolarHBondContact O-N 3.44Å; D310-V312 WeakPolarHBondContact OD2-CB 3.23Å; D310-V312 WeakPolarHBondContact OD2-CG2 3.22Å
311	G	79.3	Confident	83.7	Confident	38 Å²	38	54.6 Å²	54.6	39%	0.392	27%	0.271	S	S	.	.			trans	63.5	-2.4	168.8	0	0	0	0	0	117.4	A307 E308	A307-G311 PolarHBondContact O-N 3.37Å; E308-G311 PolarHBondContact O-N 2.9Å
312	V	79.5	Confident	83.6	Confident	33 Å²	33	53.4 Å²	53.4	20%	0.2	27%	0.265	C	S	.	.	S	Bend	trans	-67.1	-42.5	173.5	179.8	0	0	0	0	110.1	H139 Y270 D310 R355	H139-V312 HydrophobicContact CB-CG2 4.13Å; Y270-V312 HydrophobicContact CD1-CG1 4.48Å; D310-V312 PolarHBondContact O-N 3.44Å; D310-V312 WeakPolarHBondContact OD2-CB 3.23Å; D310-V312 WeakPolarHBondContact OD2-CG2 3.22Å; V312-R355 PolarHBondContact O-NH2 3.4Å
313	L	85.7	Confident	83.4	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.021	26%	0.257	C	S	.	.	S	Bend	trans	-75.7	146.5	176.4	-59	179	0	0	0	111	T272 L274 L285 I298 I301 I351 C353	T272-L313 HydrophobicContact CG2-CD1 3.9Å; T272-L313 HydrophobicContact CG2-CD2 4Å; T272-L313 HydrophobicContact CG2-CG 3.76Å; L274-L313 HydrophobicContact CD1-CD1 4.17Å; L285-L313 HydrophobicContact CD1-CD1 3.82Å; L285-L313 HydrophobicContact CD2-CD1 4.06Å; I298-L313 HydrophobicContact CD1-CB 3.85Å; I298-L313 HydrophobicContact CD1-CD1 4.02Å; I298-L313 HydrophobicContact CD1-CD2 4.05Å; I298-L313 HydrophobicContact CD1-CG 4.19Å; I301-L313 HydrophobicContact CD1-CB 4.23Å; I301-L313 WeakPolarHBondContact CD1-O 3.31Å; L313-I351 HydrophobicContact CD1-CD1 4.2Å; L313-I351 HydrophobicContact CD1-CG2 4.43Å; L313-I351 HydrophobicContact CD2-CG2 4.27Å; L313-C353 HydrophobicContact CD2-CB 4.34Å
314	R	86.3	Confident	83.1	Confident	150 Å²	150	47.5 Å²	47.5	57%	0.566	24%	0.239	S	C	*	.			trans	-137.5	156.1	176.4	-64.2	-176.7	-171.4	-178.5	-0	111.2	D317	R314-D317 PolarHBondContact N-OD2 3.07Å; R314-D317 WeakPolarHBondContact O-CB 3.33Å; R314-D317 VanDerWaalsContact O-CG 3.26Å; R314-D317 PolarHBondContact O-N 3.27Å; R314-D317 VanDerWaalsContact O-N 3.13Å
315	E	88.1	Confident	83.1	Confident	118 Å²	118	45.1 Å²	45.1	55%	0.551	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	136.1	170.1	-54.6	-178.4	157	0	0	109.6	S300 I301	S300-E315 WeakPolarHBondContact CA-OE1 3.37Å; I301-E315 HydrophobicContact CG1-CG 4.09Å; I301-E315 PolarHBondContact N-OE1 3.3Å
316	G	85.6	Confident	83.1	Confident	53 Å²	53	47.9 Å²	47.9	55%	0.546	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-5.5	-171.5	0	0	0	0	0	115.8	I298	I298-G316 PolarHBondContact O-N 3.39Å
317	D	88.8	Confident	83.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.233	C	C	.	.			trans	-68.2	131.1	174.2	-79.1	-16.7	0	0	0	112	Y297 I298 R314 C353 R355	Y297-D317 CarbonylContact C-O 3.6Å; Y297-D317 VanDerWaalsContact CA-O 3.28Å; Y297-D317 WeakPolarHBondContact CA-O 3.5Å; I298-D317 HydrophobicContact CD1-CB 4.15Å; I298-D317 HydrophobicContact CG1-CB 4.42Å; I298-D317 PolarHBondContact N-O 2.76Å; R314-D317 PolarHBondContact N-OD2 3.07Å; R314-D317 WeakPolarHBondContact O-CB 3.33Å; R314-D317 VanDerWaalsContact O-CG 3.26Å; R314-D317 PolarHBondContact O-N 3.27Å; R314-D317 VanDerWaalsContact O-N 3.13Å; D317-C353 HydrophobicContact CB-CB 3.97Å; D317-R355 WeakPolarHBondContact OD1-CB 3.14Å; D317-R355 VanDerWaalsContact OD1-CG 3.31Å; D317-R355 WeakPolarHBondContact OD1-CG 3.28Å; D317-R355 IonicContact OD1-CZ 3.27Å; D317-R355 IonicContact OD1-NE 3.65Å; D317-R355 PolarHBondContact OD1-NE 2.88Å; D317-R355 IonicContact OD1-NH2 2.68Å; D317-R355 PolarHBondContact OD1-NH2 2.89Å; D317-R355 IonicContact OD2-CZ 3.15Å; D317-R355 IonicContact OD2-NE 2.69Å; D317-R355 IonicContact OD2-NH2 2.71Å; D317-R355 PolarHBondContact OD2-NH2 2.99Å
318	R	89.7	Confident	83.2	Confident	62 Å²	62	51.4 Å²	51.4	23%	0.234	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.4	175	-170.9	-177.5	-173.1	-128.8	5.9	110.1	T294 I296 Y297 T320 E328 C353 S354	T294-R318 PolarHBondContact O-NH2 2.93Å; I296-R318 CarbonylContact O-C 3.58Å; I296-R318 WeakPolarHBondContact O-CA 3.39Å; I296-R318 WeakPolarHBondContact O-CG 3.37Å; Y297-R318 HydrophobicContact CD1-CB 3.81Å; Y297-R318 HydrophobicContact CD1-CG 4.19Å; Y297-R318 HydrophobicContact CD2-CG 4.48Å; Y297-R318 HydrophobicContact CE1-CB 3.56Å; Y297-R318 HydrophobicContact CE1-CG 3.76Å; Y297-R318 HydrophobicContact CE2-CG 4.03Å; Y297-R318 HydrophobicContact CG-CB 4.49Å; Y297-R318 WeakPolarHBondContact OH-CD 3.48Å; R318-T320 PolarHBondContact O-N 2.79Å; R318-E328 IonicContact NH1-OE1 2.66Å; R318-C353 CarbonylContact O-C 3.59Å; R318-C353 WeakPolarHBondContact O-CA 3.36Å; R318-S354 PolarHBondContact N-O 2.83Å; R318-S354 PolarHBondContact O-N 3.41Å
319	V	88.4	Confident	82.7	Confident	6 Å²	6	51.6 Å²	51.6	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	120.9	175.7	-168.3	0	0	0	0	109.1	I296 I298 V322 L327 I351	I296-V319 HydrophobicContact CB-CB 4.41Å; I296-V319 HydrophobicContact CG2-CB 4.08Å; I296-V319 HydrophobicContact CG2-CG2 4.18Å; I296-V319 PolarHBondContact O-N 2.68Å; I298-V319 HydrophobicContact CG1-CG2 3.92Å; V319-V322 HydrophobicContact CG1-CG2 3.62Å; V319-L327 HydrophobicContact CB-CD1 4.32Å; V319-L327 HydrophobicContact CG1-CD1 3.82Å; V319-I351 HydrophobicContact CG1-CG2 3.92Å
320	T	87.4	Confident	82.9	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.025	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-35.7	-179.4	53.4	0	0	0	0	112.6	R318 N326 L327 E328 K352	R318-T320 PolarHBondContact O-N 2.79Å; T320-N326 PolarHBondContact O-OD1 3.32Å; T320-L327 WeakPolarHBondContact O-CB 3.28Å; T320-L327 PolarHBondContact O-N 2.82Å; T320-E328 HydrophobicContact CG2-CG 4.14Å; T320-E328 VanDerWaalsContact CG2-OE1 3.29Å; T320-E328 WeakPolarHBondContact CG2-OE1 3.38Å; T320-K352 PolarHBondContact N-O 2.88Å; T320-K352 PolarHBondContact OG1-O 2.95Å
321	E	85.5	Confident	83	Confident	23 Å²	23	52.1 Å²	52.1	11%	0.107	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	147.7	175.8	-48.3	176.6	-146.5	0	0	111.6	R121 Q325 N326 K352	R121-E321 IonicContact CZ-OE1 2.82Å; R121-E321 IonicContact CZ-OE2 2.87Å; R121-E321 VanDerWaalsContact NH1-CD 3.26Å; R121-E321 IonicContact NH1-OE1 3.82Å; R121-E321 PolarHBondContact NH1-OE1 2.88Å; R121-E321 IonicContact NH1-OE2 2.75Å; R121-E321 PolarHBondContact NH1-OE2 3.27Å; R121-E321 VanDerWaalsContact NH2-CD 3.3Å; R121-E321 IonicContact NH2-OE1 3.74Å; R121-E321 PolarHBondContact NH2-OE1 3.18Å; R121-E321 IonicContact NH2-OE2 2.88Å; R121-E321 PolarHBondContact NH2-OE2 3.45Å; E321-Q325 WeakPolarHBondContact CA-O 3.5Å; E321-N326 HydrophobicContact CG-CB 4.39Å; E321-K352 HydrophobicContact CB-CB 4.04Å; E321-K352 HydrophobicContact CB-CD 4.44Å; E321-K352 HydrophobicContact CG-CD 4.1Å; E321-K352 PolarHBondContact N-O 3.39Å; E321-K352 PolarHBondContact O-N 3.45Å; E321-K352 WeakPolarHBondContact OE1-CD 3.42Å; E321-K352 IonicContact OE1-NZ 3.83Å; E321-K352 PolarHBondContact OE1-NZ 2.96Å
322	V	86.1	Confident	83.1	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.5	173.3	179.3	0	0	0	0	109.9	V319 Y324 Q325 L327 V339 I342 V349 Q350 I351	V319-V322 HydrophobicContact CG1-CG2 3.62Å; V322-Y324 VanDerWaalsContact C-N 3.31Å; V322-Y324 PolarHBondContact O-N 2.83Å; V322-Q325 PolarHBondContact N-O 3.31Å; V322-Q325 WeakPolarHBondContact O-CB 3.17Å; V322-Q325 PolarHBondContact O-N 2.76Å; V322-L327 HydrophobicContact CG2-CD1 4.09Å; V322-V339 HydrophobicContact CB-CG2 4.49Å; V322-V339 HydrophobicContact CG2-CG2 4.01Å; V322-I342 HydrophobicContact CB-CD1 4.33Å; V322-I342 HydrophobicContact CG1-CB 4.46Å; V322-I342 HydrophobicContact CG1-CD1 4.22Å; V322-I342 HydrophobicContact CG1-CG2 3.97Å; V322-V349 HydrophobicContact CG1-CG1 3.61Å; V322-Q350 CarbonylContact C-O 3.51Å; V322-Q350 VanDerWaalsContact CA-O 3.28Å; V322-Q350 WeakPolarHBondContact CA-O 3.39Å; V322-I351 HydrophobicContact CG2-CG1 4.5Å; V322-I351 HydrophobicContact CG2-CG2 4.49Å
323	N	79.2	Confident	83.2	Confident	36 Å²	36	54.9 Å²	54.9	19%	0.193	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	41.9	53.6	-170.5	-79.9	-19.3	0	0	0	113.2	Q325 I342 T346 Y348 Q350	N323-Q325 PolarHBondContact O-N 2.8Å; N323-I342 HydrophobicContact CB-CG2 3.84Å; N323-I342 VanDerWaalsContact ND2-CG2 3.27Å; N323-I342 WeakPolarHBondContact ND2-CG2 3.04Å; N323-T346 PolarHBondContact ND2-OG1 2.94Å; N323-T346 VanDerWaalsContact ND2-OG1 3.16Å; N323-Y348 PolarHBondContact ND2-O 2.7Å; N323-Y348 VanDerWaalsContact ND2-O 3.11Å; N323-Y348 PolarHBondContact OD1-O 2.83Å; N323-Q350 PolarHBondContact N-O 2.99Å; N323-Q350 WeakPolarHBondContact OD1-CB 3.2Å; N323-Q350 PolarHBondContact OD1-N 3.45Å
324	Y	76.1	Confident	83	Confident	93 Å²	93	59.7 Å²	59.7	37%	0.365	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	6.1	-175.7	-48.7	-82.2	0	0	0	115.9	L120 R121 Y188 V322 Q350	L120-Y324 WeakPolarHBondContact O-CE1 3.35Å; L120-Y324 PolarHBondContact O-OH 2.87Å; R121-Y324 HydrophobicContact CG-CE1 4.13Å; Y188-Y324 PolarHBondContact OH-OH 2.85Å; V322-Y324 VanDerWaalsContact C-N 3.31Å; V322-Y324 PolarHBondContact O-N 2.83Å; Y324-Q350 VanDerWaalsContact CE2-OE1 3.23Å; Y324-Q350 PolarHBondContact OH-OE1 2.75Å
325	Q	78.5	Confident	82.8	Confident	84 Å²	84	52.6 Å²	52.6	39%	0.393	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.2	175.2	-48.4	-167.6	17.6	0	0	110	E321 V322 N323 I342	E321-Q325 WeakPolarHBondContact CA-O 3.5Å; V322-Q325 PolarHBondContact N-O 3.31Å; V322-Q325 WeakPolarHBondContact O-CB 3.17Å; V322-Q325 PolarHBondContact O-N 2.76Å; N323-Q325 PolarHBondContact O-N 2.8Å; Q325-I342 HydrophobicContact CB-CD1 4.27Å; Q325-I342 HydrophobicContact CG-CD1 4.13Å
326	N	82.8	Confident	82.6	Confident	68 Å²	68	48.9 Å²	48.9	36%	0.364	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	141.4	176.7	-160.6	-4.2	0	0	0	111.5	T320 E321 E328 K338	T320-N326 PolarHBondContact O-OD1 3.32Å; E321-N326 HydrophobicContact CG-CB 4.39Å; N326-E328 WeakPolarHBondContact OD1-CB 3.39Å; N326-E328 WeakPolarHBondContact OD1-CG 3.23Å; N326-E328 PolarHBondContact OD1-N 3.08Å; N326-K338 PolarHBondContact O-NZ 3.25Å
327	L	84	Confident	82.5	Confident	9 Å²	9	54 Å²	54	5%	0.047	28%	0.276	C	S	.	.			trans	-107.8	-17.9	173.2	-54.5	-176.6	0	0	0	112.2	V319 T320 V322 G329 L330 A335 K338 V339	V319-L327 HydrophobicContact CB-CD1 4.32Å; V319-L327 HydrophobicContact CG1-CD1 3.82Å; T320-L327 WeakPolarHBondContact O-CB 3.28Å; T320-L327 PolarHBondContact O-N 2.82Å; V322-L327 HydrophobicContact CG2-CD1 4.09Å; L327-G329 PolarHBondContact O-N 2.78Å; L327-L330 WeakPolarHBondContact O-CB 3.41Å; L327-L330 PolarHBondContact O-N 2.96Å; L327-A335 HydrophobicContact CB-CB 4.41Å; L327-A335 HydrophobicContact CD2-CB 4.4Å; L327-K338 HydrophobicContact CD2-CD 4.02Å; L327-K338 HydrophobicContact CD2-CG 4.42Å; L327-V339 HydrophobicContact CD1-CG2 3.54Å; L327-V339 HydrophobicContact CD2-CG2 4.01Å; L327-V339 HydrophobicContact CG-CG2 4.43Å
328	E	79.1	Confident	82.2	Confident	96 Å²	96	56.1 Å²	56.1	45%	0.449	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	133.4	176.8	-60.8	-178	144.6	0	0	110.9	R318 T320 N326 L330	R318-E328 IonicContact NH1-OE1 2.66Å; T320-E328 HydrophobicContact CG2-CG 4.14Å; T320-E328 VanDerWaalsContact CG2-OE1 3.29Å; T320-E328 WeakPolarHBondContact CG2-OE1 3.38Å; N326-E328 WeakPolarHBondContact OD1-CB 3.39Å; N326-E328 WeakPolarHBondContact OD1-CG 3.23Å; N326-E328 PolarHBondContact OD1-N 3.08Å; E328-L330 PolarHBondContact O-N 3.08Å
329	G	74.8	Confident	82	Confident	89 Å²	89	53.7 Å²	53.7	92%	0.918	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-4.8	-178	0	0	0	0	0	115.3	L327	L327-G329 PolarHBondContact O-N 2.78Å
330	L	79	Confident	81.7	Confident	47 Å²	47	58 Å²	58	25%	0.246	30%	0.295	C	S	.	.	S	Bend	trans	-80.7	148.2	165.9	-60.7	-177.6	0	0	0	110.5	L327 E328 A335 K338	L327-L330 WeakPolarHBondContact O-CB 3.41Å; L327-L330 PolarHBondContact O-N 2.96Å; E328-L330 PolarHBondContact O-N 3.08Å; L330-A335 HydrophobicContact CB-CB 4.15Å; L330-K338 HydrophobicContact CD1-CD 3.52Å
331	D	79.4	Confident	81.4	Confident	79 Å²	79	60.5 Å²	60.5	42%	0.422	31%	0.313	S	S	.	.			trans	-59.9	147	164.9	158.6	59.4	0	0	0	110.9	K333 Q334 A335	D331-K333 VanDerWaalsContact C-N 3.34Å; D331-K333 PolarHBondContact O-N 3.18Å; D331-K333 WeakPolarHBondContact OD2-CA 3.28Å; D331-K333 WeakPolarHBondContact OD2-CB 3.33Å; D331-K333 PolarHBondContact OD2-N 2.75Å; D331-Q334 HydrophobicContact CB-CB 4.4Å; D331-Q334 HydrophobicContact CB-CG 4.11Å; D331-Q334 WeakPolarHBondContact O-CA 3.46Å; D331-Q334 WeakPolarHBondContact O-CB 3.44Å; D331-Q334 PolarHBondContact O-N 2.93Å; D331-Q334 PolarHBondContact OD2-N 3.37Å; D331-A335 WeakPolarHBondContact O-CB 3.32Å; D331-A335 PolarHBondContact O-N 2.98Å
332	T	80.6	Confident	81.2	Confident	9 Å²	9	59.9 Å²	59.9	6%	0.055	31%	0.311	C	S	.	.	H	α-helix	trans	-54.4	-45	179.6	-77.3	0	0	0	0	112.3	N293 I296 Q334 A335 L336	N293-T332 PolarHBondContact O-OG1 2.71Å; N293-T332 VanDerWaalsContact O-OG1 3.12Å; I296-T332 HydrophobicContact CD1-CG2 4.06Å; T332-Q334 VanDerWaalsContact C-N 3.31Å; T332-Q334 PolarHBondContact O-N 3.44Å; T332-A335 PolarHBondContact O-N 2.99Å; T332-L336 HydrophobicContact CG2-CD1 3.93Å; T332-L336 WeakPolarHBondContact O-CB 3.46Å; T332-L336 WeakPolarHBondContact O-CG 3.35Å; T332-L336 PolarHBondContact O-N 3.23Å
333	K	81.7	Confident	80.7	Confident	119 Å²	119	60.9 Å²	60.9	52%	0.517	32%	0.317	S	S	.	.	H	α-helix	trans	-67.8	-32	179.4	-62.9	-177.1	173.9	-178.1	0	111.4	D331 K337 D485	D331-K333 VanDerWaalsContact C-N 3.34Å; D331-K333 PolarHBondContact O-N 3.18Å; D331-K333 WeakPolarHBondContact OD2-CA 3.28Å; D331-K333 WeakPolarHBondContact OD2-CB 3.33Å; D331-K333 PolarHBondContact OD2-N 2.75Å; K333-K337 WeakPolarHBondContact O-CG 3.33Å; K333-K337 PolarHBondContact O-N 3.47Å; K333-D485 PolarHBondContact NZ-O 3.15Å
334	Q	82.2	Confident	80.6	Confident	105 Å²	105	67 Å²	67	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-72.4	-45.7	173.8	-61.7	-177.8	17.2	0	0	112.6	D331 T332 K337 K338	D331-Q334 HydrophobicContact CB-CB 4.4Å; D331-Q334 HydrophobicContact CB-CG 4.11Å; D331-Q334 WeakPolarHBondContact O-CA 3.46Å; D331-Q334 WeakPolarHBondContact O-CB 3.44Å; D331-Q334 PolarHBondContact O-N 2.93Å; D331-Q334 PolarHBondContact OD2-N 3.37Å; T332-Q334 VanDerWaalsContact C-N 3.31Å; T332-Q334 PolarHBondContact O-N 3.44Å; Q334-K337 PolarHBondContact O-N 2.87Å; Q334-K338 WeakPolarHBondContact O-CB 3.33Å; Q334-K338 PolarHBondContact O-N 3.44Å
335	A	82.3	Confident	80.5	Confident	1 Å²	1	69 Å²	69	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-62.5	-43	179.2	0	0	0	0	0	111.5	I296 L327 L330 D331 T332 K338 V339	I296-A335 HydrophobicContact CD1-CB 3.97Å; I296-A335 HydrophobicContact CG1-CB 3.56Å; L327-A335 HydrophobicContact CB-CB 4.41Å; L327-A335 HydrophobicContact CD2-CB 4.4Å; L330-A335 HydrophobicContact CB-CB 4.15Å; D331-A335 WeakPolarHBondContact O-CB 3.32Å; D331-A335 PolarHBondContact O-N 2.98Å; T332-A335 PolarHBondContact O-N 2.99Å; A335-K338 WeakPolarHBondContact O-CB 3.28Å; A335-K338 PolarHBondContact O-N 2.81Å; A335-V339 WeakPolarHBondContact O-CG2 3.34Å; A335-V339 PolarHBondContact O-N 2.89Å
336	L	83.6	Confident	80.1	Confident	41 Å²	41	67.2 Å²	67.2	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-43.8	174.1	-76.6	166.7	0	0	0	112.5	I287 I296 T332 K338 V339 K340	I287-L336 HydrophobicContact CB-CD2 4.47Å; I287-L336 HydrophobicContact CG2-CD2 3.87Å; I296-L336 HydrophobicContact CD1-CD2 4.3Å; I296-L336 HydrophobicContact CD1-CG 3.88Å; T332-L336 HydrophobicContact CG2-CD1 3.93Å; T332-L336 WeakPolarHBondContact O-CB 3.46Å; T332-L336 WeakPolarHBondContact O-CG 3.35Å; T332-L336 PolarHBondContact O-N 3.23Å; L336-K338 VanDerWaalsContact C-N 3.32Å; L336-K338 PolarHBondContact O-N 3.11Å; L336-V339 PolarHBondContact O-N 2.79Å; L336-K340 WeakPolarHBondContact O-CB 3.41Å; L336-K340 WeakPolarHBondContact O-CG 3.45Å; L336-K340 PolarHBondContact O-N 2.84Å
337	K	83.6	Confident	79.7	Confident	161 Å²	161	69 Å²	69	70%	0.7	35%	0.354	S	S	*	.	H	α-helix	trans	-60.7	-41.7	174.7	-77.3	179.8	178.2	-173.8	0	111.9	K333 Q334 K340 S341	K333-K337 WeakPolarHBondContact O-CG 3.33Å; K333-K337 PolarHBondContact O-N 3.47Å; Q334-K337 PolarHBondContact O-N 2.87Å; K337-K340 PolarHBondContact O-N 3.19Å; K337-S341 PolarHBondContact O-N 3.46Å; K337-S341 PolarHBondContact O-OG 3.29Å
338	K	83.1	Confident	79.2	Confident	45 Å²	45	71.9 Å²	71.9	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-65.2	-43	178.1	-168.6	176	-179.5	-174.7	0	112.2	N326 L327 L330 Q334 A335 L336 S341 I342	N326-K338 PolarHBondContact O-NZ 3.25Å; L327-K338 HydrophobicContact CD2-CD 4.02Å; L327-K338 HydrophobicContact CD2-CG 4.42Å; L330-K338 HydrophobicContact CD1-CD 3.52Å; Q334-K338 WeakPolarHBondContact O-CB 3.33Å; Q334-K338 PolarHBondContact O-N 3.44Å; A335-K338 WeakPolarHBondContact O-CB 3.28Å; A335-K338 PolarHBondContact O-N 2.81Å; L336-K338 VanDerWaalsContact C-N 3.32Å; L336-K338 PolarHBondContact O-N 3.11Å; K338-S341 PolarHBondContact O-OG 2.78Å; K338-S341 VanDerWaalsContact O-OG 3.07Å; K338-I342 HydrophobicContact CG-CD1 4.23Å; K338-I342 WeakPolarHBondContact O-CD1 3.48Å; K338-I342 WeakPolarHBondContact O-CG1 3.14Å; K338-I342 PolarHBondContact O-N 3.28Å; K338-I342 VanDerWaalsContact O-N 3.13Å
339	V	83.8	Confident	79.3	Confident	10 Å²	10	67.3 Å²	67.3	6%	0.061	34%	0.344	C	S	.	.	H	α-helix	trans	-65.4	-46.9	173.6	175.4	0	0	0	0	110.9	I287 V322 L327 A335 L336 S341 I342 C343	I287-V339 HydrophobicContact CD1-CG1 3.98Å; V322-V339 HydrophobicContact CB-CG2 4.49Å; V322-V339 HydrophobicContact CG2-CG2 4.01Å; L327-V339 HydrophobicContact CD1-CG2 3.54Å; L327-V339 HydrophobicContact CD2-CG2 4.01Å; L327-V339 HydrophobicContact CG-CG2 4.43Å; A335-V339 WeakPolarHBondContact O-CG2 3.34Å; A335-V339 PolarHBondContact O-N 2.89Å; L336-V339 PolarHBondContact O-N 2.79Å; V339-S341 VanDerWaalsContact C-N 3.35Å; V339-S341 PolarHBondContact O-N 3.26Å; V339-I342 PolarHBondContact O-N 3.22Å; V339-C343 WeakPolarHBondContact O-CB 3.3Å; V339-C343 PolarHBondContact O-N 3.12Å; V339-C343 PolarHBondContact O-SG 3.01Å
340	K	83	Confident	79.6	Confident	96 Å²	96	63.5 Å²	63.5	42%	0.417	30%	0.302	S	S	.	.	H	α-helix	trans	-56.7	-44	177.1	-79	-172.7	176.9	-175.6	0	112.3	L336 K337 R344 E504	L336-K340 WeakPolarHBondContact O-CB 3.41Å; L336-K340 WeakPolarHBondContact O-CG 3.45Å; L336-K340 PolarHBondContact O-N 2.84Å; K337-K340 PolarHBondContact O-N 3.19Å; K340-R344 WeakPolarHBondContact O-CB 3.31Å; K340-R344 VanDerWaalsContact O-CG 3.31Å; K340-R344 WeakPolarHBondContact O-CG 3.47Å; K340-R344 PolarHBondContact O-N 3.16Å; K340-E504 IonicContact NZ-OE2 3.61Å; K340-E504 PolarHBondContact NZ-OE2 3.35Å
341	S	81.3	Confident	79.9	Confident	57 Å²	57	61.5 Å²	61.5	40%	0.399	29%	0.291	S	S	.	.	H	α-helix	trans	-69.3	-40.8	-179.9	65.4	0	0	0	0	112.8	K337 K338 V339 R344 N345	K337-S341 PolarHBondContact O-N 3.46Å; K337-S341 PolarHBondContact O-OG 3.29Å; K338-S341 PolarHBondContact O-OG 2.78Å; K338-S341 VanDerWaalsContact O-OG 3.07Å; V339-S341 VanDerWaalsContact C-N 3.35Å; V339-S341 PolarHBondContact O-N 3.26Å; S341-R344 PolarHBondContact O-N 2.99Å; S341-N345 WeakPolarHBondContact O-CB 3.33Å; S341-N345 VanDerWaalsContact O-CG 3.29Å; S341-N345 PolarHBondContact O-N 3.34Å; S341-N345 VanDerWaalsContact O-N 3.08Å
342	I	80.2	Confident	80.1	Confident	11 Å²	11	59.9 Å²	59.9	6%	0.056	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-48.8	175	-65.8	163.2	0	0	0	110.7	V322 N323 Q325 K338 V339 R344 N345 T346	V322-I342 HydrophobicContact CB-CD1 4.33Å; V322-I342 HydrophobicContact CG1-CB 4.46Å; V322-I342 HydrophobicContact CG1-CD1 4.22Å; V322-I342 HydrophobicContact CG1-CG2 3.97Å; N323-I342 HydrophobicContact CB-CG2 3.84Å; N323-I342 VanDerWaalsContact ND2-CG2 3.27Å; N323-I342 WeakPolarHBondContact ND2-CG2 3.04Å; Q325-I342 HydrophobicContact CB-CD1 4.27Å; Q325-I342 HydrophobicContact CG-CD1 4.13Å; K338-I342 HydrophobicContact CG-CD1 4.23Å; K338-I342 WeakPolarHBondContact O-CD1 3.48Å; K338-I342 WeakPolarHBondContact O-CG1 3.14Å; K338-I342 PolarHBondContact O-N 3.28Å; K338-I342 VanDerWaalsContact O-N 3.13Å; V339-I342 PolarHBondContact O-N 3.22Å; I342-R344 PolarHBondContact O-N 2.99Å; I342-N345 PolarHBondContact O-N 3.44Å; I342-T346 PolarHBondContact O-N 3.35Å; I342-T346 VanDerWaalsContact O-N 3.12Å; I342-T346 PolarHBondContact O-OG1 2.68Å
343	C	76.8	Confident	80.4	Confident	23 Å²	23	59.5 Å²	59.5	16%	0.155	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-38.1	-177.9	-64.5	0	0	0	0	112.5	N276 L283 V339	N276-C343 PolarHBondContact ND2-O 2.91Å; L283-C343 HydrophobicContact CD1-CB 4.43Å; V339-C343 WeakPolarHBondContact O-CB 3.3Å; V339-C343 PolarHBondContact O-N 3.12Å; V339-C343 PolarHBondContact O-SG 3.01Å
344	R	76	Confident	80.6	Confident	163 Å²	163	54.7 Å²	54.7	62%	0.615	26%	0.26	S	S	*	.	H	α-helix	trans	-66.1	-36.7	174.9	-74.4	175.2	179.4	169.2	3.5	112.4	K340 S341 I342 E504	K340-R344 WeakPolarHBondContact O-CB 3.31Å; K340-R344 VanDerWaalsContact O-CG 3.31Å; K340-R344 WeakPolarHBondContact O-CG 3.47Å; K340-R344 PolarHBondContact O-N 3.16Å; S341-R344 PolarHBondContact O-N 2.99Å; I342-R344 PolarHBondContact O-N 2.99Å; R344-E504 IonicContact CZ-OE1 2.94Å; R344-E504 IonicContact NH1-OE1 2.65Å; R344-E504 PolarHBondContact NH1-OE1 2.85Å; R344-E504 IonicContact NH2-OE1 3.2Å; R344-E504 PolarHBondContact NH2-OE1 2.98Å; R344-E504 IonicContact NH2-OE2 2.86Å
345	N	74.1	Confident	80.7	Confident	136 Å²	136	51.7 Å²	51.7	73%	0.727	24%	0.244	S	C	*	.	H	α-helix	trans	-97.4	0.3	-169.9	-64.9	7.1	0	0	0	114.7	S341 I342	S341-N345 WeakPolarHBondContact O-CB 3.33Å; S341-N345 VanDerWaalsContact O-CG 3.29Å; S341-N345 PolarHBondContact O-N 3.34Å; S341-N345 VanDerWaalsContact O-N 3.08Å; I342-N345 PolarHBondContact O-N 3.44Å
346	T	71.6	Confident	80.3	Confident	46 Å²	46	54.8 Å²	54.8	28%	0.282	26%	0.26	S	S	.	.			trans	-133.2	136.6	-176.3	59	0	0	0	0	113.4	N323 I342 Y348	N323-T346 PolarHBondContact ND2-OG1 2.94Å; N323-T346 VanDerWaalsContact ND2-OG1 3.16Å; I342-T346 PolarHBondContact O-N 3.35Å; I342-T346 VanDerWaalsContact O-N 3.12Å; I342-T346 PolarHBondContact O-OG1 2.68Å; T346-Y348 VanDerWaalsContact C-N 3.31Å; T346-Y348 PolarHBondContact OG1-O 3.22Å
347	K	73.7	Confident	79.3	Confident	107 Å²	107	57.2 Å²	57.2	47%	0.465	27%	0.273	S	S	.	.	S	Bend	trans	-72.1	-23.7	175.8	-175.3	168.3	-171.7	-84.2	0	113.1	E275 N276	E275-K347 WeakPolarHBondContact CA-O 3.4Å; E275-K347 HydrophobicContact CG-CG 4.42Å; E275-K347 WeakPolarHBondContact OE1-CE 3.41Å; E275-K347 IonicContact OE1-NZ 3.34Å; E275-K347 PolarHBondContact OE1-NZ 3.38Å; E275-K347 IonicContact OE2-NZ 3.45Å; N276-K347 PolarHBondContact N-O 3.29Å
348	Y	74.5	Confident	77.6	Confident	69 Å²	69	55.5 Å²	55.5	27%	0.271	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.9	178.1	-66.8	-71.4	0	0	0	109.3	R115 V273 L274 E275 N323 T346	R115-Y348 VanDerWaalsContact NH1-CD1 3.28Å; V273-Y348 HydrophobicContact CG1-CD1 4.47Å; L274-Y348 WeakPolarHBondContact O-CA 3.29Å; E275-Y348 HydrophobicContact CB-CD1 3.97Å; E275-Y348 HydrophobicContact CB-CE1 3.63Å; E275-Y348 VanDerWaalsContact CD-OH 3.29Å; E275-Y348 HydrophobicContact CG-CD1 4.08Å; E275-Y348 HydrophobicContact CG-CE1 3.49Å; E275-Y348 VanDerWaalsContact CG-CE1 3.49Å; E275-Y348 WeakPolarHBondContact OE2-CE1 3.42Å; E275-Y348 VanDerWaalsContact OE2-CZ 3.27Å; E275-Y348 PolarHBondContact OE2-OH 2.95Å; N323-Y348 PolarHBondContact ND2-O 2.7Å; N323-Y348 VanDerWaalsContact ND2-O 3.11Å; N323-Y348 PolarHBondContact OD1-O 2.83Å; T346-Y348 VanDerWaalsContact C-N 3.31Å; T346-Y348 PolarHBondContact OG1-O 3.22Å
349	V	80.3	Confident	75.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	103.1	-176.7	-172.7	0	0	0	0	109.4	V273 L274 L283 V322 I351	V273-V349 WeakPolarHBondContact CA-O 3.23Å; L274-V349 PolarHBondContact N-O 3.13Å; L274-V349 PolarHBondContact O-N 2.71Å; L283-V349 HydrophobicContact CD1-CB 3.77Å; L283-V349 HydrophobicContact CD1-CG1 3.83Å; L283-V349 HydrophobicContact CD1-CG2 3.93Å; L283-V349 HydrophobicContact CD2-CB 4.3Å; L283-V349 HydrophobicContact CD2-CG2 4.06Å; V322-V349 HydrophobicContact CG1-CG1 3.61Å; V349-I351 HydrophobicContact CG1-CD1 4.27Å; V349-I351 HydrophobicContact CG1-CG1 3.9Å
350	Q	82	Confident	72.6	Confident	9 Å²	9	63.9 Å²	63.9	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	127.6	168.7	-175.6	177.1	-25.7	0	0	109.4	V119 E271 T272 V273 V322 N323 Y324	V119-Q350 HydrophobicContact CG1-CG 3.97Å; E271-Q350 HydrophobicContact CG-CG 3.92Å; E271-Q350 PolarHBondContact OE1-NE2 3.18Å; E271-Q350 PolarHBondContact OE2-NE2 3.16Å; T272-Q350 CarbonylContact O-C 3.58Å; T272-Q350 VanDerWaalsContact O-CA 3.24Å; T272-Q350 WeakPolarHBondContact O-CA 3.37Å; V273-Q350 HydrophobicContact CG2-CB 3.85Å; V273-Q350 HydrophobicContact CG2-CG 3.96Å; V322-Q350 CarbonylContact C-O 3.51Å; V322-Q350 VanDerWaalsContact CA-O 3.28Å; V322-Q350 WeakPolarHBondContact CA-O 3.39Å; N323-Q350 PolarHBondContact N-O 2.99Å; N323-Q350 WeakPolarHBondContact OD1-CB 3.2Å; N323-Q350 PolarHBondContact OD1-N 3.45Å; Y324-Q350 VanDerWaalsContact CE2-OE1 3.23Å; Y324-Q350 PolarHBondContact OH-OE1 2.75Å
351	I	84.9	Confident	70.1	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.6	-179.4	-57.1	-179.1	0	0	0	108.1	E271 T272 L274 L283 L285 L313 V319 V322 V349	E271-I351 VanDerWaalsContact CA-O 3.31Å; E271-I351 WeakPolarHBondContact CA-O 3.19Å; T272-I351 PolarHBondContact N-O 3.09Å; T272-I351 VanDerWaalsContact N-O 3.09Å; T272-I351 PolarHBondContact O-N 2.98Å; L274-I351 HydrophobicContact CD1-CD1 4Å; L283-I351 HydrophobicContact CD1-CD1 4.14Å; L285-I351 HydrophobicContact CD1-CD1 3.43Å; L285-I351 VanDerWaalsContact CD1-CD1 3.43Å; L313-I351 HydrophobicContact CD1-CD1 4.2Å; L313-I351 HydrophobicContact CD1-CG2 4.43Å; L313-I351 HydrophobicContact CD2-CG2 4.27Å; V319-I351 HydrophobicContact CG1-CG2 3.92Å; V322-I351 HydrophobicContact CG2-CG1 4.5Å; V322-I351 HydrophobicContact CG2-CG2 4.49Å; V349-I351 HydrophobicContact CG1-CD1 4.27Å; V349-I351 HydrophobicContact CG1-CG1 3.9Å
352	K	83.7	Confident	67.5	Low	46 Å²	46	69.5 Å²	69.5	20%	0.2	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.6	172.5	-178.2	179.9	152.4	-168.8	0	109.8	C269 Y270 E271 T320 E321	C269-K352 WeakPolarHBondContact SG-CE 3.45Å; C269-K352 VanDerWaalsContact SG-CG 3.54Å; Y270-K352 WeakPolarHBondContact O-CA 3.33Å; E271-K352 HydrophobicContact CB-CB 4.37Å; E271-K352 HydrophobicContact CG-CB 4.05Å; T320-K352 PolarHBondContact N-O 2.88Å; T320-K352 PolarHBondContact OG1-O 2.95Å; E321-K352 HydrophobicContact CB-CB 4.04Å; E321-K352 HydrophobicContact CB-CD 4.44Å; E321-K352 HydrophobicContact CG-CD 4.1Å; E321-K352 PolarHBondContact N-O 3.39Å; E321-K352 PolarHBondContact O-N 3.45Å; E321-K352 WeakPolarHBondContact OE1-CD 3.42Å; E321-K352 IonicContact OE1-NZ 3.83Å; E321-K352 PolarHBondContact OE1-NZ 2.96Å
353	C	86.9	Confident	65.1	Low	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	159.3	-178.9	-72.2	0	0	0	0	112.2	C269 Y270 L313 D317 R318	C269-C353 CarbonylContact C-O 3.59Å; C269-C353 VanDerWaalsContact CA-O 3.3Å; C269-C353 WeakPolarHBondContact CA-O 3.37Å; C269-C353 PolarHBondContact SG-O 3.49Å; Y270-C353 PolarHBondContact N-O 3.16Å; Y270-C353 PolarHBondContact O-N 3.35Å; L313-C353 HydrophobicContact CD2-CB 4.34Å; D317-C353 HydrophobicContact CB-CB 3.97Å; R318-C353 CarbonylContact O-C 3.59Å; R318-C353 WeakPolarHBondContact O-CA 3.36Å
354	S	85.6	Confident	62.9	Low	19 Å²	19	78.1 Å²	78.1	13%	0.133	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.3	166.9	58.4	0	0	0	0	111.2	S268 R318	S268-S354 WeakPolarHBondContact O-CA 3.4Å; R318-S354 PolarHBondContact N-O 2.83Å; R318-S354 PolarHBondContact O-N 3.41Å
355	R	83.7	Confident	60.6	Low	41 Å²	41	76.7 Å²	76.7	16%	0.155	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.8	-179	-167.9	-175.9	-64.4	151.7	2.5	107.7	F267 S268 Y270 V312 D317 I357	F267-R355 CarbonylContact C-O 3.56Å; F267-R355 WeakPolarHBondContact CA-O 3.48Å; S268-R355 PolarHBondContact N-O 2.85Å; S268-R355 PolarHBondContact O-N 2.72Å; S268-R355 PolarHBondContact OG-O 3.3Å; Y270-R355 HydrophobicContact CD2-CB 4.27Å; Y270-R355 HydrophobicContact CE2-CB 3.73Å; Y270-R355 HydrophobicContact CE2-CG 4.48Å; Y270-R355 VanDerWaalsContact CE2-CZ 3.4Å; Y270-R355 PolarHBondContact OH-NH1 2.79Å; V312-R355 PolarHBondContact O-NH2 3.4Å; D317-R355 WeakPolarHBondContact OD1-CB 3.14Å; D317-R355 VanDerWaalsContact OD1-CG 3.31Å; D317-R355 WeakPolarHBondContact OD1-CG 3.28Å; D317-R355 IonicContact OD1-CZ 3.27Å; D317-R355 IonicContact OD1-NE 3.65Å; D317-R355 PolarHBondContact OD1-NE 2.88Å; D317-R355 IonicContact OD1-NH2 2.68Å; D317-R355 PolarHBondContact OD1-NH2 2.89Å; D317-R355 IonicContact OD2-CZ 3.15Å; D317-R355 IonicContact OD2-NE 2.69Å; D317-R355 IonicContact OD2-NH2 2.71Å; D317-R355 PolarHBondContact OD2-NH2 2.99Å; R355-I357 PolarHBondContact O-N 3.37Å
356	N	73.3	Confident	58.4	Low	67 Å²	67	77.6 Å²	77.6	36%	0.358	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	117	177.9	-172	6.2	0	0	0	109.7	F267 Q358	F267-N356 HydrophobicContact CD1-CB 4.07Å; F267-N356 HydrophobicContact CE1-CB 3.84Å; N356-Q358 PolarHBondContact O-N 2.67Å; N356-Q358 PolarHBondContact OD1-N 2.72Å
357	I	63.5	Low	56.4	Low	92 Å²	92	81.6 Å²	81.6	47%	0.472	43%	0.427	S	S	.	.			trans	-81.9	44.1	176.8	-38.7	159.2	0	0	0	110.2	S266 S268 R355 T359	S266-I357 WeakPolarHBondContact O-CA 3.35Å; S266-I357 VanDerWaalsContact O-CB 3.24Å; S266-I357 WeakPolarHBondContact O-CB 3.11Å; S266-I357 WeakPolarHBondContact O-CD1 3.24Å; S266-I357 WeakPolarHBondContact O-CG1 3.11Å; S266-I357 PolarHBondContact O-N 3.5Å; S268-I357 VanDerWaalsContact OG-CG1 3.23Å; S268-I357 WeakPolarHBondContact OG-CG1 3.47Å; R355-I357 PolarHBondContact O-N 3.37Å; I357-T359 PolarHBondContact O-N 2.78Å
358	Q	48.1	Very low	54.2	Low	124 Å²	124	81.3 Å²	81.3	58%	0.579	44%	0.439	S	S	*	.			trans	-82.6	103.1	161.9	-79.1	-177.7	18.8	0	0	107.3	N356 N360	N356-Q358 PolarHBondContact O-N 2.67Å; N356-Q358 PolarHBondContact OD1-N 2.72Å; Q358-N360 PolarHBondContact O-N 2.94Å
359	T	31	Very low	52	Low	107 Å²	107	83.2 Å²	83.2	66%	0.656	46%	0.462	S	S	*	.			trans	-65.7	101.9	178.5	50.2	0	0	0	0	110.1	I357 N361	I357-T359 PolarHBondContact O-N 2.78Å; T359-N361 PolarHBondContact O-N 3.35Å
360	N	30.5	Very low	49.3	Very low	125 Å²	125	89 Å²	89	67%	0.668	50%	0.501	S	S	*	.			trans	-71.1	60.4	161.1	-88.8	2	0	0	0	110.6	Q358 N362	Q358-N360 PolarHBondContact O-N 2.94Å; N360-N362 CarbonylContact C-O 3.53Å; N360-N362 WeakPolarHBondContact CB-O 2.98Å; N360-N362 PolarHBondContact O-N 2.65Å
361	N	29.7	Very low	46.7	Very low	142 Å²	142	95.3 Å²	95.3	76%	0.759	54%	0.535	S	S	*	.			trans	-76.1	59.2	150.4	-75.8	7.9	0	0	0	107.7	T359	T359-N361 PolarHBondContact O-N 3.35Å
362	N	28	Very low	44	Very low	128 Å²	128	100.8 Å²	100.8	68%	0.684	56%	0.564	S	S	*	*	S	Bend	trans	178.3	143	175.8	-85.8	-35.2	0	0	0	105.2	N360	N360-N362 CarbonylContact C-O 3.53Å; N360-N362 WeakPolarHBondContact CB-O 2.98Å; N360-N362 PolarHBondContact O-N 2.65Å
363	N	29.9	Very low	41.4	Very low	116 Å²	116	106.4 Å²	106.4	62%	0.62	59%	0.589	S	S	*	*			trans	78.3	35.3	-175.5	-48.2	-13.3	0	0	0	116.2
364	S	29	Very low	38.6	Very low	100 Å²	100	115.4 Å²	115.4	70%	0.699	63%	0.628	S	S	*	*	S	Bend		-80.8	156.5	115.1	62.6	0	0	0	0	108.1
365	D	28.3	Very low	35.8	Very low	133 Å²	133	123 Å²	123	71%	0.711	66%	0.659	S	S	*	*			trans	56.6	65.2	173.9	-54.2	-31.4	0	0	0	117.4	I367	D365-I367 VanDerWaalsContact C-N 3.33Å
366	L	28.4	Very low	33.2	Very low	154 Å²	154	127.5 Å²	127.5	81%	0.806	68%	0.682	S	S	*	*			trans	-96.1	65.6	147.9	-99.9	173.9	0	0	0	111
367	I	28.6	Very low	31.1	Very low	130 Å²	130	132 Å²	132	67%	0.667	70%	0.698	S	S	*	*			trans	-77.2	136.5	166.8	-67.6	171.9	0	0	0	109.2	D365	D365-I367 VanDerWaalsContact C-N 3.33Å
368	S	28.4	Very low	29.5	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	71%	0.709	S	S	*	*	S	Bend	trans	72.8	122.4	161.8	73.6	0	0	0	0	120.8
369	S	28.3	Very low	28.7	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	72%	0.72	S	S	*	*			trans	65.2	91	132.4	-160.3	0	0	0	0	120.1
370	C	23.6	Very low	28.8	Very low	122 Å²	122	134.3 Å²	134.3	82%	0.824	72%	0.718	S	S	*	*			trans	-98.6	78.8	145.1	49.7	0	0	0	0	111.2
371	N	26.4	Very low	28.8	Very low	142 Å²	142	135.1 Å²	135.1	76%	0.759	72%	0.723	S	S	*	*			trans	-166.2	129	145.2	-98.1	-36.4	0	0	0	114.4
372	D	28.9	Very low	28.9	Very low	118 Å²	118	135.7 Å²	135.7	63%	0.631	72%	0.724	S	S	*	*			trans	60.1	80.8	145.7	-101.5	18.8	0	0	0	121.4
373	K	28.3	Very low	29.1	Very low	165 Å²	165	134.1 Å²	134.1	72%	0.717	72%	0.721	S	S	*	*				158.9	136.9	96.8	-82.6	153.3	-176.9	94.5	0	115.5
374	K	29	Very low	29.3	Very low	189 Å²	189	135.3 Å²	135.3	82%	0.822	73%	0.727	S	S	*	*			trans	63.5	106.1	152.1	-65.3	175.8	-179.2	176.5	0	120.6
375	K	26.6	Very low	29.7	Very low	179 Å²	179	136 Å²	136	78%	0.778	73%	0.729	S	S	*	*				60.2	120.6	124.8	-71.9	-172.4	164.3	-156.6	0	121.9
376	Q	29	Very low	29.8	Very low	135 Å²	135	136.7 Å²	136.7	63%	0.631	73%	0.731	S	S	*	*				91.4	130.3	126.4	-76.6	-178.9	-79.9	0	0	122.1
377	F	30.3	Very low	29.9	Very low	161 Å²	161	135.8 Å²	135.8	71%	0.706	73%	0.727	S	S	*	*			trans	80.4	102.7	150.4	-70.3	-56.9	0	0	0	121.4
378	D	29.8	Very low	30	Very low	132 Å²	132	135.2 Å²	135.2	71%	0.706	73%	0.725	S	S	*	*				70	122.5	120.9	-63.6	10.4	0	0	0	123.9
379	D	30.7	Very low	30.2	Very low	152 Å²	152	135.4 Å²	135.4	81%	0.813	72%	0.718	S	S	*	*			trans	72.6	128.4	134.1	-91.8	-8.5	0	0	0	124.2
380	S	32.8	Very low	30.4	Very low	88 Å²	88	137.9 Å²	137.9	62%	0.615	72%	0.718	S	S	*	*			trans	91.6	97.7	134.7	71.8	0	0	0	0	120.8
381	N	30.5	Very low	31	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	72%	0.718	S	S	*	*				77.6	114.2	114.3	-64.9	-20.1	0	0	0	121.8
382	I	31	Very low	31.3	Very low	154 Å²	154	139.3 Å²	139.3	79%	0.79	72%	0.716	S	S	*	*				86.8	140.6	122.1	-72.6	170.6	0	0	0	117.2
383	P	33	Very low	31.4	Very low	96 Å²	96	139.7 Å²	139.7	62%	0.623	72%	0.718	S	S	*	*			trans	-139.2	-153	-132.8	39.8	-17.3	0	0	0	114.2
384	D	34.5	Very low	31.7	Very low	141 Å²	141	138 Å²	138	75%	0.754	72%	0.717	S	S	*	*			trans	75.7	160.4	158.7	-61.2	-13.1	0	0	0	116
385	P	37.4	Very low	31.8	Very low	113 Å²	113	135.3 Å²	135.3	73%	0.734	71%	0.71	S	S	*	*				-128.4	-158.1	-97.3	25.6	-0	0	0	0	110.1
386	I	31	Very low	32.1	Very low	148 Å²	148	132.8 Å²	132.8	76%	0.759	71%	0.705	S	S	*	*			trans	172.8	125.6	136.3	-92	158.1	0	0	0	112.5
387	L	29.9	Very low	32	Very low	135 Å²	135	132.9 Å²	132.9	71%	0.707	71%	0.71	S	S	*	*			trans	40.3	128	146.5	-78.8	66.2	0	0	0	123
388	N	31.5	Very low	32	Very low	118 Å²	118	131.6 Å²	131.6	63%	0.631	71%	0.706	S	S	*	*				94.5	116.7	119.3	-73.8	24.7	0	0	0	123.4
389	N	32.3	Very low	32	Very low	107 Å²	107	132.5 Å²	132.5	57%	0.572	70%	0.704	S	S	*	*				80.8	150.5	119.5	-65.5	24.8	0	0	0	121.3
390	E	31.6	Very low	31.9	Very low	159 Å²	159	134.4 Å²	134.4	74%	0.743	71%	0.705	S	S	*	*			trans	46.9	111.7	146.1	-66.6	149	-119	0	0	115.9
391	D	36.9	Very low	31.7	Very low	157 Å²	157	134.8 Å²	134.8	84%	0.84	71%	0.707	S	S	*	*				-154.6	171.6	71.9	-123.3	-36.6	0	0	0	115.6
392	I	31.7	Very low	31.7	Very low	137 Å²	137	134.1 Å²	134.1	70%	0.703	71%	0.708	S	S	*	*			trans	-95.4	159.6	-179	-43	174.3	0	0	0	110.4
393	N	31.9	Very low	31.6	Very low	127 Å²	127	133.2 Å²	133.2	68%	0.679	70%	0.704	S	S	*	*			trans	114.9	127	148.7	-55.6	-61.3	0	0	0	117.6
394	D	33.4	Very low	31.4	Very low	129 Å²	129	134 Å²	134	69%	0.69	71%	0.707	S	S	*	*				83.2	116	128.3	-72.5	-2.7	0	0	0	123.7
395	I	32.8	Very low	31.3	Very low	132 Å²	132	137 Å²	137	68%	0.677	71%	0.708	S	S	*	*				86	101	121.8	-67.6	172.9	0	0	0	117.1
396	D	31.5	Very low	31	Very low	127 Å²	127	136.5 Å²	136.5	68%	0.679	70%	0.703	S	S	*	*				75.5	104.4	129.3	-76	29.8	0	0	0	121.5
397	N	28.5	Very low	31.2	Very low	136 Å²	136	135 Å²	135	73%	0.727	71%	0.706	S	S	*	*				97.2	151.2	108.4	-92.9	-49.1	0	0	0	121.9
398	E	29.8	Very low	31.2	Very low	134 Å²	134	134 Å²	134	63%	0.626	71%	0.705	S	S	*	*			trans	71.3	93.6	156.8	-66.8	-150.2	166.2	0	0	122.3
399	K	29.1	Very low	31.2	Very low	152 Å²	152	134.3 Å²	134.3	66%	0.661	71%	0.714	S	S	*	*				83	153.8	120.1	-66.8	169.4	-171.5	157.9	0	118.8
400	K	29	Very low	31	Very low	192 Å²	192	134 Å²	134	84%	0.835	72%	0.716	S	S	*	*			trans	73.7	138.2	168	-63.2	158.2	-174.6	165.6	0	114.5
401	S	27.9	Very low	31.2	Very low	95 Å²	95	134 Å²	134	66%	0.664	72%	0.718	S	S	*	*			cis	171.6	-177.3	-17.9	44.1	0	0	0	0	106.2
402	V	30.3	Very low	31	Very low	127 Å²	127	131.6 Å²	131.6	77%	0.77	71%	0.705	S	S	*	*			trans	75.6	139.5	166.7	-175.6	0	0	0	0	112.5
403	L	30.8	Very low	30.9	Very low	135 Å²	135	131.9 Å²	131.9	71%	0.707	71%	0.708	S	S	*	*			cis	-135.4	124.5	10.7	-140.9	144.1	0	0	0	111.1
404	T	28.7	Very low	30.8	Very low	114 Å²	114	130.6 Å²	130.6	70%	0.699	71%	0.709	S	S	*	*				8.2	158.4	127.5	16.8	0	0	0	0	120.1
405	R	32.2	Very low	30.9	Very low	203 Å²	203	132.7 Å²	132.7	77%	0.766	72%	0.715	S	S	*	*				-174.2	136	51.7	-142.2	167.3	87.4	-174.9	12.1	116
406	T	29.5	Very low	30.6	Very low	102 Å²	102	132.3 Å²	132.3	63%	0.626	72%	0.719	S	S	*	*			trans	62.1	141.7	145.5	46.3	0	0	0	0	120.5
407	S	35.3	Very low	30.6	Very low	118 Å²	118	131 Å²	131	83%	0.825	72%	0.719	S	S	*	*			cis	-141.3	143.3	39.5	-61.6	0	0	0	0	117.6
408	T	30.7	Very low	30.7	Very low	112 Å²	112	130.9 Å²	130.9	69%	0.687	72%	0.717	S	S	*	*			trans	-77.9	170.2	175.5	39.5	0	0	0	0	113.1
409	P	32.3	Very low	30.8	Very low	126 Å²	126	134.4 Å²	134.4	82%	0.818	73%	0.727	S	S	*	*			cis	-151.1	144.4	45.8	41	-17.8	0	0	0	123.6
410	T	27.7	Very low	30.9	Very low	101 Å²	101	133.5 Å²	133.5	62%	0.62	73%	0.729	S	S	*	*			trans	-50.8	145.5	158.5	-36.7	0	0	0	0	117.4
411	M	35.2	Very low	31	Very low	157 Å²	157	128.6 Å²	128.6	77%	0.773	72%	0.719	S	S	*	*			trans	-147.6	116.1	133.5	-85	-69.7	100.8	0	0	105.7
412	N	33.1	Very low	31	Very low	107 Å²	107	132.7 Å²	132.7	57%	0.572	73%	0.727	S	S	*	*				61.1	134.2	83.1	-66.4	10.6	0	0	0	113.7
413	N	28.6	Very low	30.9	Very low	144 Å²	144	134 Å²	134	77%	0.77	73%	0.73	S	S	*	*			cis	-178.5	179.1	-21.9	-123.5	4.3	0	0	0	108.2
414	S	30.7	Very low	30.8	Very low	100 Å²	100	135.1 Å²	135.1	70%	0.699	74%	0.737	S	S	*	*			trans	73.6	146	155	48.5	0	0	0	0	121.9
415	E	34.5	Very low	30.8	Very low	172 Å²	172	134.5 Å²	134.5	80%	0.804	74%	0.737	S	S	*	*			trans	61.9	85.1	158.7	-70.1	161.2	-134.1	0	0	117.4
416	T	28	Very low	30.7	Very low	125 Å²	125	130 Å²	130	77%	0.767	73%	0.732	S	S	*	*				51.9	113.6	77.8	72.8	0	0	0	0	117.2
417	S	30	Very low	30.6	Very low	99 Å²	99	131 Å²	131	69%	0.692	73%	0.733	S	S	*	*			trans	107.1	126.6	133.3	83.1	0	0	0	0	120.6
418	I	32.1	Very low	30.6	Very low	133 Å²	133	130.2 Å²	130.2	68%	0.682	72%	0.715	S	S	*	*			trans	89.4	122.3	138	-70.6	160	0	0	0	120
419	Y	31	Very low	30.5	Very low	209 Å²	209	133.8 Å²	133.8	82%	0.82	72%	0.717	S	S	*	*			trans	65.8	139.5	168	-62.4	-46.1	0	0	0	117.7
420	D	30.7	Very low	31	Very low	133 Å²	133	130.4 Å²	130.4	71%	0.711	69%	0.692	S	S	*	*			cis	-155.5	163.3	-8.5	-143.2	-24.8	0	0	0	112.3
421	S	31.1	Very low	31.6	Very low	89 Å²	89	126.7 Å²	126.7	62%	0.622	67%	0.67	S	S	*	*			trans	53.3	122.9	154.3	66.8	0	0	0	0	122.2
422	Q	29.5	Very low	32.7	Very low	181 Å²	181	123.7 Å²	123.7	85%	0.846	65%	0.652	S	S	*	*			trans	88.8	136.4	153.2	-62.6	177.4	-51.9	0	0	119.3
423	D	27.4	Very low	33.5	Very low	153 Å²	153	122.9 Å²	122.9	82%	0.818	64%	0.644	S	S	*	*			trans	46.8	88.7	169.8	-57.3	-12	0	0	0	118.9
424	D	29.5	Very low	34.7	Very low	159 Å²	159	117 Å²	117	85%	0.85	61%	0.612	S	S	*	*			trans	-158.5	80.8	150.2	-122.9	-21	0	0	0	111.5
425	S	27.7	Very low	35.3	Very low	101 Å²	101	121 Å²	121	71%	0.706	62%	0.617	S	S	*	*			trans	-117.8	70.2	175.7	67.4	0	0	0	0	111	L427	S425-L427 VanDerWaalsContact O-CD1 3.31Å; S425-L427 WeakPolarHBondContact O-CD1 3.37Å; S425-L427 PolarHBondContact O-N 3.17Å; S425-L427 VanDerWaalsContact O-N 3.14Å
426	V	29.7	Very low	35.4	Very low	110 Å²	110	118 Å²	118	67%	0.667	61%	0.613	S	S	*	*			trans	-55.5	117.6	176.6	-178.5	0	0	0	0	109.7	F428	V426-F428 PolarHBondContact O-N 2.89Å
427	L	28.4	Very low	35.7	Very low	121 Å²	121	119.9 Å²	119.9	63%	0.634	62%	0.618	S	S	*	*			trans	-78.6	89.8	-169	-76.1	95.8	0	0	0	111.8	S425 Y429	S425-L427 VanDerWaalsContact O-CD1 3.31Å; S425-L427 WeakPolarHBondContact O-CD1 3.37Å; S425-L427 PolarHBondContact O-N 3.17Å; S425-L427 VanDerWaalsContact O-N 3.14Å; L427-Y429 HydrophobicContact CB-CD2 3.57Å; L427-Y429 HydrophobicContact CB-CE2 4.18Å; L427-Y429 HydrophobicContact CB-CG 4.33Å; L427-Y429 HydrophobicContact CD2-CD2 3.69Å; L427-Y429 HydrophobicContact CD2-CE2 3.81Å; L427-Y429 HydrophobicContact CD2-CG 4.12Å; L427-Y429 HydrophobicContact CG-CD2 3.78Å; L427-Y429 HydrophobicContact CG-CE2 3.9Å; L427-Y429 PolarHBondContact O-N 2.93Å
428	F	35	Very low	36	Very low	102 Å²	102	121.8 Å²	121.8	45%	0.447	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.5	38.2	163.3	-72.7	-87.2	0	0	0	113.1	V426 L456	V426-F428 PolarHBondContact O-N 2.89Å; F428-L456 HydrophobicContact CD1-CD1 4.45Å; F428-L456 HydrophobicContact CE1-CD1 3.89Å
429	Y	28.9	Very low	36.3	Very low	187 Å²	187	124.8 Å²	124.8	73%	0.733	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-19.8	-175.5	-78.4	-115.5	0	0	0	112.4	L427	L427-Y429 HydrophobicContact CB-CD2 3.57Å; L427-Y429 HydrophobicContact CB-CE2 4.18Å; L427-Y429 HydrophobicContact CB-CG 4.33Å; L427-Y429 HydrophobicContact CD2-CD2 3.69Å; L427-Y429 HydrophobicContact CD2-CE2 3.81Å; L427-Y429 HydrophobicContact CD2-CG 4.12Å; L427-Y429 HydrophobicContact CG-CD2 3.78Å; L427-Y429 HydrophobicContact CG-CE2 3.9Å; L427-Y429 PolarHBondContact O-N 2.93Å
430	N	41.6	Very low	36.5	Very low	56 Å²	56	125.6 Å²	125.6	30%	0.299	63%	0.633	S	S	.	*	S	Bend	trans	-106.8	34	-172.8	-74	34.1	0	0	0	112.9	P461 D462 V463 E464 L465	N430-P461 PolarHBondContact ND2-O 3.42Å; N430-D462 PolarHBondContact ND2-O 3.01Å; N430-V463 WeakPolarHBondContact CB-O 3.38Å; N430-V463 PolarHBondContact ND2-O 3.49Å; N430-E464 WeakPolarHBondContact O-CA 3.38Å; N430-L465 PolarHBondContact O-N 2.87Å
431	C	42.1	Very low	36.4	Very low	22 Å²	22	126.2 Å²	126.2	15%	0.149	63%	0.633	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.8	123	173.4	-60.3	0	0	0	0	111.3	F433 L452 L465	C431-F433 HydrophobicContact CB-CE2 3.79Å; C431-F433 HydrophobicContact CB-CZ 4.11Å; C431-L452 HydrophobicContact CB-CD1 4.31Å; C431-L465 VanDerWaalsContact CA-O 3.3Å; C431-L465 WeakPolarHBondContact CA-O 3.23Å
432	K	56.3	Low	36.4	Very low	95 Å²	95	130.1 Å²	130.1	41%	0.413	65%	0.648	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.6	148	171.6	-70.4	174.3	178.4	142.3	0	111.5	E464 L465 L466 L467	K432-E464 WeakPolarHBondContact CD-OE1 3.4Å; K432-E464 WeakPolarHBondContact CE-OE1 3.35Å; K432-E464 IonicContact NZ-OE1 3.49Å; K432-E464 PolarHBondContact NZ-OE1 2.95Å; K432-E464 IonicContact NZ-OE2 2.68Å; K432-E464 PolarHBondContact NZ-OE2 3.05Å; K432-L465 PolarHBondContact N-O 3.18Å; K432-L466 HydrophobicContact CB-CD2 3.79Å; K432-L466 HydrophobicContact CD-CD2 4.05Å; K432-L466 HydrophobicContact CG-CD2 4.33Å; K432-L467 PolarHBondContact O-N 3.44Å
433	F	51.1	Low	36.7	Very low	89 Å²	89	127.7 Å²	127.7	39%	0.39	63%	0.634	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.2	138.2	-176.3	-58.7	-93.1	0	0	0	109.9	C431 D448 L452 L467	C431-F433 HydrophobicContact CB-CE2 3.79Å; C431-F433 HydrophobicContact CB-CZ 4.11Å; F433-D448 HydrophobicContact CE1-CB 4.08Å; F433-L452 HydrophobicContact CE1-CD1 3.48Å; F433-L452 VanDerWaalsContact CE1-CD1 3.48Å; F433-L452 HydrophobicContact CE2-CD1 4.5Å; F433-L452 HydrophobicContact CZ-CD1 3.42Å; F433-L452 VanDerWaalsContact CZ-CD1 3.42Å; F433-L467 HydrophobicContact CD1-CB 3.96Å; F433-L467 HydrophobicContact CD1-CD2 3.9Å; F433-L467 HydrophobicContact CD1-CG 4.37Å; F433-L467 HydrophobicContact CE1-CB 4.16Å; F433-L467 HydrophobicContact CE1-CD2 3.85Å
434	N	53.3	Low	36.9	Very low	20 Å²	20	129.1 Å²	129.1	11%	0.107	64%	0.638	C	S	.	*	P	Polyproline II helix	trans	-82	122.5	175	-56.6	-7.2	0	0	0	108.8	P436 V468 E514 T516	N434-P436 WeakPolarHBondContact O-CD 3.21Å; N434-V468 WeakPolarHBondContact ND2-CA 3.36Å; N434-V468 WeakPolarHBondContact ND2-CG1 3.14Å; N434-E514 HydrophobicContact CB-CG 4.32Å; N434-E514 VanDerWaalsContact CG-CD 3.49Å; N434-E514 VanDerWaalsContact CG-OE1 3.29Å; N434-E514 WeakPolarHBondContact ND2-CG 3.3Å; N434-E514 PolarHBondContact ND2-OE1 2.52Å; N434-E514 VanDerWaalsContact ND2-OE1 3.11Å; N434-E514 PolarHBondContact ND2-OE2 3.21Å; N434-E514 VanDerWaalsContact ND2-OE2 3.12Å; N434-E514 PolarHBondContact OD1-OE1 3.28Å; N434-T516 VanDerWaalsContact OD1-CG2 3.27Å; N434-T516 WeakPolarHBondContact OD1-CG2 3.31Å; N434-T516 PolarHBondContact OD1-OG1 3.24Å
435	K	42.9	Very low	37.6	Very low	186 Å²	186	124.8 Å²	124.8	81%	0.809	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-79.4	123.4	171	-68.9	177.5	-179.3	173.9	0	108.6	D437	K435-D437 PolarHBondContact O-N 3.04Å
436	P	36.4	Very low	38.5	Very low	109 Å²	109	124.2 Å²	124.2	71%	0.708	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-69.7	122.4	166.9	-14.4	30.4	0	0	0	109	N434 D438	N434-P436 WeakPolarHBondContact O-CD 3.21Å; P436-D438 VanDerWaalsContact C-N 3.3Å; P436-D438 PolarHBondContact O-N 3.43Å
437	D	34.9	Very low	40	Very low	163 Å²	163	123.6 Å²	123.6	87%	0.872	60%	0.604	S	S	*	*	S	Bend	trans	-77.1	78.3	173.3	-79.4	-31.1	0	0	0	110.7	K435	K435-D437 PolarHBondContact O-N 3.04Å
438	D	36.9	Very low	42	Very low	139 Å²	139	120.4 Å²	120.4	74%	0.743	59%	0.587	S	S	*	*	S	Bend	trans	-167.5	156.8	150	-119.2	-21.5	0	0	0	112.2	P436 R440	P436-D438 VanDerWaalsContact C-N 3.3Å; P436-D438 PolarHBondContact O-N 3.43Å; D438-R440 PolarHBondContact O-N 3.05Å
439	E	38.3	Very low	43.4	Very low	196 Å²	196	120.8 Å²	120.8	92%	0.916	59%	0.589	S	S	*	*			trans	-72.3	27.9	-168.6	-57.5	-172	125.7	0	0	115.9	M441	E439-M441 PolarHBondContact O-N 2.79Å
440	R	34.4	Very low	45.4	Very low	227 Å²	227	114.5 Å²	114.5	86%	0.857	57%	0.573	S	S	*	*			trans	-94.9	97.9	-173	-70.6	-171	175.7	-167.6	0.4	113.6	D438	D438-R440 PolarHBondContact O-N 3.05Å
441	M	29.5	Very low	47	Very low	145 Å²	145	113 Å²	113	71%	0.714	56%	0.564	S	S	*	*			trans	82.5	107.6	168.9	-59	-132.4	69.2	0	0	117	E439 K443	E439-M441 PolarHBondContact O-N 2.79Å; M441-K443 HydrophobicContact CB-CB 4.46Å; M441-K443 HydrophobicContact CE-CD 3.93Å; M441-K443 HydrophobicContact CE-CG 4.28Å; M441-K443 PolarHBondContact O-N 3.25Å; M441-K443 HydrophobicContact SD-CD 4.27Å
442	N	31.2	Very low	48.6	Very low	172 Å²	172	112.1 Å²	112.1	92%	0.92	56%	0.558	S	S	*	*			trans	-68.1	69.3	156.5	-72.9	-77.1	0	0	0	110.7
443	K	34.5	Very low	49.5	Very low	129 Å²	129	112.5 Å²	112.5	56%	0.561	56%	0.561	S	S	*	*			trans	-133.3	67.1	170.1	-87.3	-177	149.3	-79.7	0	108.8	M441 D445	M441-K443 HydrophobicContact CB-CB 4.46Å; M441-K443 HydrophobicContact CE-CD 3.93Å; M441-K443 HydrophobicContact CE-CG 4.28Å; M441-K443 PolarHBondContact O-N 3.25Å; M441-K443 HydrophobicContact SD-CD 4.27Å; K443-D445 VanDerWaalsContact CA-OD1 3.24Å; K443-D445 WeakPolarHBondContact CA-OD1 3.35Å; K443-D445 HydrophobicContact CB-CB 4.44Å; K443-D445 WeakPolarHBondContact CG-OD2 3.41Å; K443-D445 IonicContact NZ-OD2 2.69Å; K443-D445 PolarHBondContact NZ-OD2 3.43Å; K443-D445 PolarHBondContact O-N 3.43Å
444	M	31.4	Very low	50.8	Low	184 Å²	184	112.6 Å²	112.6	91%	0.906	56%	0.561	S	S	*	*			trans	-74	58.2	167.8	-166.2	101.4	83.5	0	0	108.7
445	D	44.4	Very low	52.1	Low	67 Å²	67	112.5 Å²	112.5	36%	0.358	56%	0.56	S	S	.	*			trans	-99.3	114.7	-161.6	-75.7	12.8	0	0	0	110	K443 N447	K443-D445 VanDerWaalsContact CA-OD1 3.24Å; K443-D445 WeakPolarHBondContact CA-OD1 3.35Å; K443-D445 HydrophobicContact CB-CB 4.44Å; K443-D445 WeakPolarHBondContact CG-OD2 3.41Å; K443-D445 IonicContact NZ-OD2 2.69Å; K443-D445 PolarHBondContact NZ-OD2 3.43Å; K443-D445 PolarHBondContact O-N 3.43Å; D445-N447 PolarHBondContact O-N 2.92Å
446	S	48	Very low	53.6	Low	90 Å²	90	107 Å²	107	63%	0.629	54%	0.538	S	S	*	.	S	Bend	trans	41.4	-47.7	156.9	53.3	0	0	0	0	121.4	D448 K449 S450	S446-D448 PolarHBondContact O-N 2.97Å; S446-K449 PolarHBondContact O-N 3.17Å; S446-S450 PolarHBondContact O-N 3.23Å
447	N	60.6	Low	55.3	Low	96 Å²	96	109.2 Å²	109.2	51%	0.513	55%	0.545	S	S	.	.	H	α-helix	trans	-63	-45.5	-162.6	-59.2	-5.2	0	0	0	112.1	D445 K449 S450 L451	D445-N447 PolarHBondContact O-N 2.92Å; N447-K449 PolarHBondContact O-N 3.09Å; N447-S450 WeakPolarHBondContact CA-OG 3.46Å; N447-S450 CarbonylContact O-C 3.52Å; N447-S450 WeakPolarHBondContact O-CA 3.38Å; N447-S450 PolarHBondContact O-N 2.85Å; N447-S450 PolarHBondContact O-OG 2.8Å; N447-L451 WeakPolarHBondContact O-CG 3.36Å; N447-L451 PolarHBondContact O-N 2.68Å
448	D	70.1	Confident	57.2	Low	54 Å²	54	105.6 Å²	105.6	29%	0.289	53%	0.528	S	S	.	.	H	α-helix	trans	-58.7	-33.8	-177.6	-52.8	0.2	0	0	0	111.8	F433 S446 L452 L467 Y469	F433-D448 HydrophobicContact CE1-CB 4.08Å; S446-D448 PolarHBondContact O-N 2.97Å; D448-L452 PolarHBondContact O-N 3.38Å; D448-L467 HydrophobicContact CB-CD2 3.96Å; D448-Y469 PolarHBondContact OD1-OH 3.44Å
449	K	65	Low	59	Low	110 Å²	110	99.9 Å²	99.9	48%	0.478	50%	0.497	S	S	.	.	H	α-helix	trans	-69.4	-47.8	170.8	-65.1	-165.5	173.4	-160.1	0	111.5	S446 N447 L451 L452 E453	S446-K449 PolarHBondContact O-N 3.17Å; N447-K449 PolarHBondContact O-N 3.09Å; K449-L451 PolarHBondContact O-N 2.87Å; K449-L452 CarbonylContact O-C 3.56Å; K449-L452 PolarHBondContact O-N 3.06Å; K449-E453 WeakPolarHBondContact O-CG 3.37Å; K449-E453 PolarHBondContact O-N 3.33Å
450	S	70.5	Confident	60.3	Low	56 Å²	56	96.3 Å²	96.3	39%	0.392	48%	0.484	S	S	.	.	H	α-helix	trans	-64.1	-18.3	177.6	72	0	0	0	0	114.9	S446 N447 E453	S446-S450 PolarHBondContact O-N 3.23Å; N447-S450 WeakPolarHBondContact CA-OG 3.46Å; N447-S450 CarbonylContact O-C 3.52Å; N447-S450 WeakPolarHBondContact O-CA 3.38Å; N447-S450 PolarHBondContact O-N 2.85Å; N447-S450 PolarHBondContact O-OG 2.8Å; S450-E453 WeakPolarHBondContact CA-OE2 3.31Å
451	L	75	Confident	61.8	Low	23 Å²	23	90.7 Å²	90.7	12%	0.12	48%	0.477	C	S	.	.	H	α-helix	trans	-72.8	-43	169.2	-67.3	-179.8	0	0	0	111.4	N447 K449 L467 Y551 I553	N447-L451 WeakPolarHBondContact O-CG 3.36Å; N447-L451 PolarHBondContact O-N 2.68Å; K449-L451 PolarHBondContact O-N 2.87Å; L451-L467 HydrophobicContact CD1-CD1 4.35Å; L451-L467 HydrophobicContact CD1-CD2 4.28Å; L451-Y551 HydrophobicContact CD1-CD1 4.42Å; L451-Y551 HydrophobicContact CD1-CD2 4.43Å; L451-Y551 HydrophobicContact CD1-CE1 4.03Å; L451-Y551 HydrophobicContact CD1-CE2 4.07Å; L451-Y551 HydrophobicContact CD2-CE2 4.44Å; L451-Y551 WeakPolarHBondContact CD2-OH 3.37Å; L451-I553 HydrophobicContact CB-CD1 4.35Å
452	L	76.1	Confident	63.9	Low	4 Å²	4	89 Å²	89	2%	0.021	47%	0.471	C	S	.	.	H	α-helix	trans	-83.3	-25.5	-178.8	-71.2	166.6	0	0	0	113.9	C431 F433 D448 K449 K454 W455 L456 L465 L467 I553	C431-L452 HydrophobicContact CB-CD1 4.31Å; F433-L452 HydrophobicContact CE1-CD1 3.48Å; F433-L452 VanDerWaalsContact CE1-CD1 3.48Å; F433-L452 HydrophobicContact CE2-CD1 4.5Å; F433-L452 HydrophobicContact CZ-CD1 3.42Å; F433-L452 VanDerWaalsContact CZ-CD1 3.42Å; D448-L452 PolarHBondContact O-N 3.38Å; K449-L452 CarbonylContact O-C 3.56Å; K449-L452 PolarHBondContact O-N 3.06Å; L452-K454 PolarHBondContact O-N 2.87Å; L452-K454 VanDerWaalsContact O-N 3.13Å; L452-W455 WeakPolarHBondContact O-CA 3.43Å; L452-W455 PolarHBondContact O-N 2.86Å; L452-L456 PolarHBondContact O-N 3.46Å; L452-L465 HydrophobicContact CD2-CB 4.01Å; L452-L465 HydrophobicContact CD2-CD1 4.36Å; L452-L467 HydrophobicContact CD1-CB 4.27Å; L452-I553 HydrophobicContact CD2-CG2 3.9Å
453	E	74.3	Confident	66.1	Low	104 Å²	104	81.5 Å²	81.5	49%	0.486	43%	0.431	S	S	.	.	H	α-helix	trans	-52.9	-34	176.9	-84.1	166.3	-169.9	0	0	112.6	K449 S450 W455	K449-E453 WeakPolarHBondContact O-CG 3.37Å; K449-E453 PolarHBondContact O-N 3.33Å; S450-E453 WeakPolarHBondContact CA-OE2 3.31Å; E453-W455 PolarHBondContact O-N 2.99Å
454	K	79	Confident	68.3	Low	90 Å²	90	77 Å²	77	39%	0.391	41%	0.412	S	S	.	.	H	α-helix	trans	-61.2	-27.3	174.9	-47.7	176.7	-151	158.7	0	113.8	L452 V458 E525	L452-K454 PolarHBondContact O-N 2.87Å; L452-K454 VanDerWaalsContact O-N 3.13Å; K454-V458 WeakPolarHBondContact O-CG2 3.27Å; K454-E525 IonicContact NZ-OE1 2.72Å; K454-E525 PolarHBondContact NZ-OE1 3.45Å; K454-E525 IonicContact NZ-OE2 2.76Å; K454-E525 PolarHBondContact NZ-OE2 3.28Å
455	W	81.3	Confident	70.9	Confident	19 Å²	19	68.4 Å²	68.4	7%	0.072	37%	0.37	C	S	.	.	H	α-helix	trans	-108.5	-24.1	-168.8	-66.7	108.1	0	0	0	112.4	L452 E453 D457 V458 F459 L465 L524 E525 V530 V532	L452-W455 WeakPolarHBondContact O-CA 3.43Å; L452-W455 PolarHBondContact O-N 2.86Å; E453-W455 PolarHBondContact O-N 2.99Å; W455-D457 VanDerWaalsContact C-N 3.27Å; W455-D457 PolarHBondContact O-N 3.31Å; W455-V458 HydrophobicContact CE3-CB 4.41Å; W455-V458 HydrophobicContact CE3-CG1 4.41Å; W455-V458 HydrophobicContact CE3-CG2 4.48Å; W455-V458 PolarHBondContact O-N 3.21Å; W455-V458 VanDerWaalsContact O-N 3.07Å; W455-F459 HydrophobicContact CE3-CD2 4.41Å; W455-F459 AromaticContact CE3-CE2 3.76Å; W455-F459 HydrophobicContact CE3-CE2 3.76Å; W455-F459 HydrophobicContact CZ3-CE2 4.2Å; W455-F459 PolarHBondContact O-N 3.35Å; W455-L465 HydrophobicContact CB-CD1 3.98Å; W455-L465 HydrophobicContact CB-CD2 4.49Å; W455-L524 HydrophobicContact CD2-CB 4.33Å; W455-L524 HydrophobicContact CD2-CD1 4.02Å; W455-L524 HydrophobicContact CE3-CB 4.45Å; W455-L524 HydrophobicContact CE3-CD1 4Å; W455-L524 HydrophobicContact CG-CD1 4.34Å; W455-L524 HydrophobicContact CH2-CB 3.97Å; W455-L524 HydrophobicContact CZ2-CB 3.85Å; W455-L524 HydrophobicContact CZ3-CB 4.28Å; W455-L524 HydrophobicContact CZ3-CD1 4.44Å; W455-L524 HydrophobicContact CZ3-CD2 4.4Å; W455-E525 HydrophobicContact CZ2-CB 4.2Å; W455-E525 PolarHBondContact NE1-OE2 3.32Å; W455-V530 HydrophobicContact CH2-CG1 3.79Å; W455-V530 HydrophobicContact CZ2-CG1 3.93Å; W455-V530 HydrophobicContact CZ2-CG2 4.07Å; W455-V532 HydrophobicContact CH2-CB 4.25Å; W455-V532 HydrophobicContact CH2-CG2 3.6Å; W455-V532 HydrophobicContact CZ3-CG2 3.93Å
456	L	74	Confident	72.9	Confident	69 Å²	69	65.2 Å²	65.2	36%	0.361	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-31	173.7	-73.9	169.4	0	0	0	113.2	F428 L452 V458 L465	F428-L456 HydrophobicContact CD1-CD1 4.45Å; F428-L456 HydrophobicContact CE1-CD1 3.89Å; L452-L456 PolarHBondContact O-N 3.46Å; L456-V458 VanDerWaalsContact C-N 3.31Å; L456-L465 HydrophobicContact CD2-CD1 3.94Å; L456-L465 HydrophobicContact CG-CD1 4.21Å
457	D	72.8	Confident	74.7	Confident	157 Å²	157	61 Å²	61	84%	0.84	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.7	174.7	-77.3	-5.9	0	0	0	113.4	W455	W455-D457 VanDerWaalsContact C-N 3.27Å; W455-D457 PolarHBondContact O-N 3.31Å
458	V	73.9	Confident	75.9	Confident	87 Å²	87	56.4 Å²	56.4	53%	0.527	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-35.7	-172.6	177.7	0	0	0	0	112.4	K454 W455 L456	K454-V458 WeakPolarHBondContact O-CG2 3.27Å; W455-V458 HydrophobicContact CE3-CB 4.41Å; W455-V458 HydrophobicContact CE3-CG1 4.41Å; W455-V458 HydrophobicContact CE3-CG2 4.48Å; W455-V458 PolarHBondContact O-N 3.21Å; W455-V458 VanDerWaalsContact O-N 3.07Å; L456-V458 VanDerWaalsContact C-N 3.31Å
459	F	73.9	Confident	76.6	Confident	19 Å²	19	57.4 Å²	57.4	8%	0.083	30%	0.299	C	S	.	.	S	Bend	trans	-103.7	150.4	-176.4	-72.6	-80.4	0	0	0	112.7	W455 V463 L465 F493 L524 A555 Y557	W455-F459 HydrophobicContact CE3-CD2 4.41Å; W455-F459 AromaticContact CE3-CE2 3.76Å; W455-F459 HydrophobicContact CE3-CE2 3.76Å; W455-F459 HydrophobicContact CZ3-CE2 4.2Å; W455-F459 PolarHBondContact O-N 3.35Å; F459-V463 HydrophobicContact CB-CB 4.14Å; F459-V463 HydrophobicContact CB-CG1 4.41Å; F459-V463 HydrophobicContact CB-CG2 4.28Å; F459-V463 HydrophobicContact CD1-CG1 4.18Å; F459-V463 HydrophobicContact CD1-CG2 4.27Å; F459-V463 HydrophobicContact CG-CG1 4.38Å; F459-L465 HydrophobicContact CD2-CD2 4.08Å; F459-L465 HydrophobicContact CE2-CD2 4.49Å; F459-F493 HydrophobicContact CE1-CE1 4.27Å; F459-F493 AromaticContact CE1-CZ 3.82Å; F459-F493 HydrophobicContact CE1-CZ 3.82Å; F459-F493 HydrophobicContact CZ-CE1 4.05Å; F459-F493 AromaticContact CZ-CZ 3.8Å; F459-F493 HydrophobicContact CZ-CZ 3.8Å; F459-L524 HydrophobicContact CD2-CD1 4.37Å; F459-L524 HydrophobicContact CE2-CD1 3.56Å; F459-L524 HydrophobicContact CE2-CD2 3.83Å; F459-L524 HydrophobicContact CE2-CG 4.35Å; F459-L524 HydrophobicContact CZ-CD1 4.12Å; F459-L524 HydrophobicContact CZ-CD2 3.57Å; F459-A555 HydrophobicContact CE1-CB 4.36Å; F459-A555 HydrophobicContact CZ-CB 4.25Å; F459-Y557 HydrophobicContact CD1-CE1 4.33Å; F459-Y557 HydrophobicContact CE1-CE1 4.16Å
460	N	67.6	Low	77.6	Confident	120 Å²	120	52.8 Å²	52.8	64%	0.642	28%	0.279	S	S	*	.			trans	-59.4	146.1	169.5	-74.7	-14.5	0	0	0	110.4	D462 V463	N460-D462 PolarHBondContact O-N 3.02Å; N460-V463 WeakPolarHBondContact O-CB 3.36Å; N460-V463 PolarHBondContact O-N 2.88Å
461	P	65.2	Low	78.3	Confident	109 Å²	109	53 Å²	53	71%	0.708	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.4	-177	27.2	-36.5	0	0	0	114.4	N430	N430-P461 PolarHBondContact ND2-O 3.42Å
462	D	73	Confident	78.7	Confident	111 Å²	111	53.6 Å²	53.6	59%	0.594	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-13.3	174.8	-51.7	-62.7	0	0	0	113.4	N430 N460 P558	N430-D462 PolarHBondContact ND2-O 3.01Å; N460-D462 PolarHBondContact O-N 3.02Å; D462-P558 HydrophobicContact CB-CG 4.17Å
463	V	77.6	Confident	78.8	Confident	14 Å²	14	59 Å²	59	9%	0.085	30%	0.301	C	S	.	.	S	Bend	trans	-81.7	135.4	177.4	-176.4	0	0	0	0	109.9	N430 F459 N460 A555 Y557	N430-V463 WeakPolarHBondContact CB-O 3.38Å; N430-V463 PolarHBondContact ND2-O 3.49Å; F459-V463 HydrophobicContact CB-CB 4.14Å; F459-V463 HydrophobicContact CB-CG1 4.41Å; F459-V463 HydrophobicContact CB-CG2 4.28Å; F459-V463 HydrophobicContact CD1-CG1 4.18Å; F459-V463 HydrophobicContact CD1-CG2 4.27Å; F459-V463 HydrophobicContact CG-CG1 4.38Å; N460-V463 WeakPolarHBondContact O-CB 3.36Å; N460-V463 PolarHBondContact O-N 2.88Å; V463-A555 HydrophobicContact CG1-CB 3.88Å; V463-Y557 HydrophobicContact CG1-CD1 4.26Å; V463-Y557 HydrophobicContact CG1-CE1 4.4Å; V463-Y557 HydrophobicContact CG2-CD1 3.84Å; V463-Y557 HydrophobicContact CG2-CE1 4.21Å
464	E	81.7	Confident	78.5	Confident	33 Å²	33	61.2 Å²	61.2	15%	0.154	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	120	174.7	172.4	168.9	-99.6	0	0	110.8	N430 K432 L466 A555 R556	N430-E464 WeakPolarHBondContact O-CA 3.38Å; K432-E464 WeakPolarHBondContact CD-OE1 3.4Å; K432-E464 WeakPolarHBondContact CE-OE1 3.35Å; K432-E464 IonicContact NZ-OE1 3.49Å; K432-E464 PolarHBondContact NZ-OE1 2.95Å; K432-E464 IonicContact NZ-OE2 2.68Å; K432-E464 PolarHBondContact NZ-OE2 3.05Å; E464-L466 HydrophobicContact CG-CD2 3.68Å; E464-L466 HydrophobicContact CG-CG 4.39Å; E464-A555 CarbonylContact O-C 3.43Å; E464-A555 WeakPolarHBondContact O-CA 3.48Å; E464-R556 HydrophobicContact CB-CB 4.24Å; E464-R556 PolarHBondContact N-O 3.08Å; E464-R556 PolarHBondContact O-N 3.43Å; E464-R556 IonicContact OE2-CZ 3.41Å; E464-R556 IonicContact OE2-NH1 2.72Å; E464-R556 PolarHBondContact OE2-NH1 2.73Å
465	L	85.2	Confident	78	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	139	173.5	-65.2	175.6	0	0	0	110.9	N430 C431 K432 L452 W455 L456 F459 L524 C554 A555	N430-L465 PolarHBondContact O-N 2.87Å; C431-L465 VanDerWaalsContact CA-O 3.3Å; C431-L465 WeakPolarHBondContact CA-O 3.23Å; K432-L465 PolarHBondContact N-O 3.18Å; L452-L465 HydrophobicContact CD2-CB 4.01Å; L452-L465 HydrophobicContact CD2-CD1 4.36Å; W455-L465 HydrophobicContact CB-CD1 3.98Å; W455-L465 HydrophobicContact CB-CD2 4.49Å; L456-L465 HydrophobicContact CD2-CD1 3.94Å; L456-L465 HydrophobicContact CG-CD1 4.21Å; F459-L465 HydrophobicContact CD2-CD2 4.08Å; F459-L465 HydrophobicContact CE2-CD2 4.49Å; L465-L524 HydrophobicContact CD2-CD1 3.74Å; L465-C554 WeakPolarHBondContact CA-O 3.48Å; L465-A555 HydrophobicContact CD2-CB 4.13Å
466	L	85.3	Confident	77.3	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119	-172.6	-53.5	172.8	0	0	0	109.2	K432 E464 V468 L517 D521 I553 C554 R556	K432-L466 HydrophobicContact CB-CD2 3.79Å; K432-L466 HydrophobicContact CD-CD2 4.05Å; K432-L466 HydrophobicContact CG-CD2 4.33Å; E464-L466 HydrophobicContact CG-CD2 3.68Å; E464-L466 HydrophobicContact CG-CG 4.39Å; L466-V468 HydrophobicContact CB-CG2 4.28Å; L466-L517 HydrophobicContact CB-CD2 4.09Å; L466-L517 HydrophobicContact CD1-CD2 3.64Å; L466-D521 WeakPolarHBondContact CD1-OD2 3.38Å; L466-I553 WeakPolarHBondContact O-CA 3.35Å; L466-C554 HydrophobicContact CB-CB 4.16Å; L466-C554 HydrophobicContact CD1-CB 4.32Å; L466-C554 PolarHBondContact N-O 2.92Å; L466-C554 PolarHBondContact O-N 3.34Å; L466-R556 HydrophobicContact CD1-CB 4.36Å
467	L	87	Confident	76.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.8	172.6	178.6	61.9	0	0	0	109.9	K432 F433 D448 L451 L452 Y469 Y551 I553	K432-L467 PolarHBondContact O-N 3.44Å; F433-L467 HydrophobicContact CD1-CB 3.96Å; F433-L467 HydrophobicContact CD1-CD2 3.9Å; F433-L467 HydrophobicContact CD1-CG 4.37Å; F433-L467 HydrophobicContact CE1-CB 4.16Å; F433-L467 HydrophobicContact CE1-CD2 3.85Å; D448-L467 HydrophobicContact CB-CD2 3.96Å; L451-L467 HydrophobicContact CD1-CD1 4.35Å; L451-L467 HydrophobicContact CD1-CD2 4.28Å; L452-L467 HydrophobicContact CD1-CB 4.27Å; L467-Y469 HydrophobicContact CD2-CE2 4.15Å; L467-Y469 HydrophobicContact CG-CE2 4.07Å; L467-Y551 HydrophobicContact CD1-CD2 3.61Å; L467-Y551 HydrophobicContact CD1-CE2 4.41Å; L467-Y551 HydrophobicContact CD1-CG 4Å; L467-I553 HydrophobicContact CD1-CG1 3.92Å
468	V	85.1	Confident	77.2	Confident	1 Å²	1	56 Å²	56	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	105.2	-162.7	165.8	0	0	0	0	111.2	N434 L466 I511 E514 T516 L517 Y551 L552	N434-V468 WeakPolarHBondContact ND2-CA 3.36Å; N434-V468 WeakPolarHBondContact ND2-CG1 3.14Å; L466-V468 HydrophobicContact CB-CG2 4.28Å; V468-I511 HydrophobicContact CG1-CD1 3.6Å; V468-E514 WeakPolarHBondContact CG1-OE2 3.24Å; V468-T516 WeakPolarHBondContact CG2-OG1 3.26Å; V468-L517 HydrophobicContact CB-CD1 4.27Å; V468-L517 HydrophobicContact CB-CG 4.37Å; V468-L517 HydrophobicContact CG1-CD1 3.85Å; V468-L517 HydrophobicContact CG1-CG 4.09Å; V468-L517 HydrophobicContact CG2-CD1 4.3Å; V468-L517 HydrophobicContact CG2-CD2 3.74Å; V468-L517 HydrophobicContact CG2-CG 3.87Å; V468-Y551 CarbonylContact O-C 3.4Å; V468-Y551 VanDerWaalsContact O-CA 3.26Å; V468-Y551 WeakPolarHBondContact O-CA 3.25Å; V468-L552 HydrophobicContact CB-CB 4.38Å; V468-L552 HydrophobicContact CG1-CD1 4.39Å; V468-L552 PolarHBondContact N-O 3.08Å; V468-L552 PolarHBondContact O-N 3.23Å
469	Y	86.1	Confident	77.6	Confident	74 Å²	74	52.4 Å²	52.4	29%	0.29	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	147.5	174.9	-64.6	-85	0	0	0	111.5	D448 L467 G550	D448-Y469 PolarHBondContact OD1-OH 3.44Å; L467-Y469 HydrophobicContact CD2-CE2 4.15Å; L467-Y469 HydrophobicContact CG-CE2 4.07Å; Y469-G550 VanDerWaalsContact CA-O 3.31Å; Y469-G550 WeakPolarHBondContact CA-O 2.98Å
470	Y	85.9	Confident	77.9	Confident	14 Å²	14	52 Å²	52	6%	0.055	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.8	-179.5	70.8	-99.9	0	0	0	111.8	I472 L479 N527 I546 P547 E549 G550 Y551 L552	Y470-I472 HydrophobicContact CD2-CD1 3.98Å; Y470-I472 HydrophobicContact CD2-CG1 3.58Å; Y470-I472 HydrophobicContact CE2-CD1 3.7Å; Y470-I472 HydrophobicContact CE2-CG1 3.72Å; Y470-L479 HydrophobicContact CD1-CD2 3.6Å; Y470-L479 HydrophobicContact CD2-CD2 3.41Å; Y470-L479 VanDerWaalsContact CD2-CD2 3.41Å; Y470-L479 HydrophobicContact CE1-CD2 4.06Å; Y470-L479 HydrophobicContact CE2-CD2 3.92Å; Y470-L479 HydrophobicContact CG-CD2 3.27Å; Y470-N527 PolarHBondContact OH-ND2 3.35Å; Y470-I546 HydrophobicContact CE1-CG2 4.4Å; Y470-I546 HydrophobicContact CE2-CG2 4.11Å; Y470-I546 WeakPolarHBondContact OH-CG2 3.31Å; Y470-P547 VanDerWaalsContact CE2-O 3.29Å; Y470-P547 WeakPolarHBondContact CE2-O 3.21Å; Y470-P547 PolarHBondContact OH-O 3.33Å; Y470-E549 WeakPolarHBondContact O-CA 3.36Å; Y470-G550 WeakPolarHBondContact CD1-O 3.4Å; Y470-G550 VanDerWaalsContact CZ-CA 3.47Å; Y470-G550 PolarHBondContact N-O 3Å; Y470-G550 PolarHBondContact O-N 3.42Å; Y470-G550 WeakPolarHBondContact OH-CA 3.23Å; Y470-Y551 VanDerWaalsContact CE1-N 3.33Å; Y470-L552 HydrophobicContact CD1-CD2 4.12Å; Y470-L552 HydrophobicContact CD1-CG 4.19Å; Y470-L552 HydrophobicContact CE1-CD2 4.15Å
471	D	84.5	Confident	78.8	Confident	59 Å²	59	47.5 Å²	47.5	32%	0.316	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.8	164.1	176.8	24.7	0	0	0	110.3	K473 P510 E549	D471-K473 VanDerWaalsContact OD1-CB 3.24Å; D471-K473 WeakPolarHBondContact OD1-CB 3.24Å; D471-K473 WeakPolarHBondContact OD1-CD 3.39Å; D471-K473 WeakPolarHBondContact OD1-CG 3.21Å; D471-K473 PolarHBondContact OD1-N 3.06Å; D471-P510 WeakPolarHBondContact O-CB 3.25Å; D471-P510 WeakPolarHBondContact O-CG 3.16Å; D471-E549 HydrophobicContact CB-CG 4.08Å
472	I	83.8	Confident	79.6	Confident	37 Å²	37	43.3 Å²	43.3	19%	0.19	24%	0.238	C	C	.	.			trans	-97.1	-12	-179.6	-46.5	178.2	0	0	0	111.2	Y470 N474 S475 L479 I546 S548	Y470-I472 HydrophobicContact CD2-CD1 3.98Å; Y470-I472 HydrophobicContact CD2-CG1 3.58Å; Y470-I472 HydrophobicContact CE2-CD1 3.7Å; Y470-I472 HydrophobicContact CE2-CG1 3.72Å; I472-N474 PolarHBondContact O-N 3.1Å; I472-S475 WeakPolarHBondContact O-CB 3.29Å; I472-S475 PolarHBondContact O-N 2.88Å; I472-L479 HydrophobicContact CD1-CD2 3.87Å; I472-L479 HydrophobicContact CD1-CG 3.86Å; I472-L479 HydrophobicContact CG1-CD2 4.11Å; I472-L479 HydrophobicContact CG1-CG 4.47Å; I472-I546 HydrophobicContact CD1-CG2 4.23Å; I472-S548 PolarHBondContact N-O 3.43Å
473	K	76.9	Confident	80.2	Confident	116 Å²	116	40 Å²	40	50%	0.504	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-33.9	-171.9	-71.8	168.4	-175.6	172.3	0	114.3	D471 S548 E549	D471-K473 VanDerWaalsContact OD1-CB 3.24Å; D471-K473 WeakPolarHBondContact OD1-CB 3.24Å; D471-K473 WeakPolarHBondContact OD1-CD 3.39Å; D471-K473 WeakPolarHBondContact OD1-CG 3.21Å; D471-K473 PolarHBondContact OD1-N 3.06Å; K473-S548 WeakPolarHBondContact CE-OG 3.33Å; K473-E549 HydrophobicContact CD-CG 4.5Å; K473-E549 WeakPolarHBondContact CE-OE1 3.49Å; K473-E549 VanDerWaalsContact CE-OE2 3.29Å; K473-E549 WeakPolarHBondContact CE-OE2 3.39Å; K473-E549 IonicContact NZ-OE1 2.78Å; K473-E549 PolarHBondContact NZ-OE1 3.32Å; K473-E549 IonicContact NZ-OE2 3.5Å; K473-E549 PolarHBondContact NZ-OE2 3.49Å
474	N	69.3	Low	80.2	Confident	151 Å²	151	39.9 Å²	39.9	81%	0.807	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.3	20.1	-179.5	-60.3	-48.8	0	0	0	113.3	I472	I472-N474 PolarHBondContact O-N 3.1Å
475	S	67.6	Low	80	Confident	25 Å²	25	39 Å²	39	18%	0.175	22%	0.216	C	C	.	.			trans	-108.1	127	-177.4	176.2	0	0	0	0	112.9	I472 C477 G478 P510	I472-S475 WeakPolarHBondContact O-CB 3.29Å; I472-S475 PolarHBondContact O-N 2.88Å; S475-C477 VanDerWaalsContact C-N 3.3Å; S475-C477 PolarHBondContact O-N 3.09Å; S475-C477 PolarHBondContact OG-N 2.59Å; S475-G478 WeakPolarHBondContact CB-O 3.01Å; S475-G478 PolarHBondContact OG-N 3.4Å; S475-G478 PolarHBondContact OG-O 3.21Å; S475-P510 WeakPolarHBondContact OG-CD 3.48Å
476	N	66.2	Low	78.9	Confident	135 Å²	135	41.3 Å²	41.3	72%	0.722	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	1.1	173.1	-66.6	-6.8	0	0	0	113.4
477	C	65.5	Low	77.7	Confident	40 Å²	40	44.9 Å²	44.9	27%	0.27	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	25.2	-173.8	68.9	0	0	0	0	114.2	S475 G480 N506 G509	S475-C477 VanDerWaalsContact C-N 3.3Å; S475-C477 PolarHBondContact O-N 3.09Å; S475-C477 PolarHBondContact OG-N 2.59Å; C477-G480 PolarHBondContact O-N 3.05Å; C477-N506 PolarHBondContact SG-ND2 3.17Å; C477-G509 WeakPolarHBondContact SG-CA 3.19Å
478	G	79.4	Confident	75.9	Confident	27 Å²	27	45.2 Å²	45.2	28%	0.278	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	-140.6	-174.2	0	0	0	0	0	111.5	S475 G480 P510	S475-G478 WeakPolarHBondContact CB-O 3.01Å; S475-G478 PolarHBondContact OG-N 3.4Å; S475-G478 PolarHBondContact OG-O 3.21Å; G478-G480 PolarHBondContact O-N 3.06Å; G478-P510 WeakPolarHBondContact O-CD 3.49Å; G478-P510 WeakPolarHBondContact O-CG 3.41Å
479	L	82.2	Confident	73.9	Confident	10 Å²	10	52.9 Å²	52.9	5%	0.052	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.7	174	-72.5	167.5	0	0	0	113.9	Y470 I472 I481 P510 I511 F543 I546 L552	Y470-L479 HydrophobicContact CD1-CD2 3.6Å; Y470-L479 HydrophobicContact CD2-CD2 3.41Å; Y470-L479 VanDerWaalsContact CD2-CD2 3.41Å; Y470-L479 HydrophobicContact CE1-CD2 4.06Å; Y470-L479 HydrophobicContact CE2-CD2 3.92Å; Y470-L479 HydrophobicContact CG-CD2 3.27Å; I472-L479 HydrophobicContact CD1-CD2 3.87Å; I472-L479 HydrophobicContact CD1-CG 3.86Å; I472-L479 HydrophobicContact CG1-CD2 4.11Å; I472-L479 HydrophobicContact CG1-CG 4.47Å; L479-I481 HydrophobicContact CB-CG1 4.06Å; L479-I481 HydrophobicContact CD1-CD1 4.45Å; L479-P510 WeakPolarHBondContact O-CD 3.31Å; L479-I511 HydrophobicContact CB-CG1 4.36Å; L479-I511 HydrophobicContact CD2-CG1 4.42Å; L479-I511 WeakPolarHBondContact O-CG1 3.47Å; L479-I511 PolarHBondContact O-N 2.96Å; L479-F543 HydrophobicContact CD1-CD1 4.16Å; L479-F543 HydrophobicContact CD1-CE1 3.7Å; L479-I546 HydrophobicContact CD1-CD1 3.93Å; L479-L552 HydrophobicContact CD1-CD2 4.22Å
480	G	81.3	Confident	72	Confident	11 Å²	11	56.6 Å²	56.6	11%	0.113	32%	0.317	C	S	.	.			trans	75.3	20.6	-175.9	0	0	0	0	0	115.2	C477 G478 N506	C477-G480 PolarHBondContact O-N 3.05Å; G478-G480 PolarHBondContact O-N 3.06Å; G480-N506 WeakPolarHBondContact O-CB 2.92Å; G480-N506 PolarHBondContact O-N 3.03Å
481	I	86	Confident	70.2	Confident	26 Å²	26	65.2 Å²	65.2	13%	0.133	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146	173.1	59.7	176.4	0	0	0	111.6	L479 I511 F543 L552	L479-I481 HydrophobicContact CB-CG1 4.06Å; L479-I481 HydrophobicContact CD1-CD1 4.45Å; I481-I511 HydrophobicContact CG2-CB 3.78Å; I481-I511 HydrophobicContact CG2-CG1 3.91Å; I481-I511 HydrophobicContact CG2-CG2 3.65Å; I481-F543 HydrophobicContact CD1-CE1 4.36Å; I481-F543 HydrophobicContact CD1-CZ 4.36Å; I481-F543 HydrophobicContact CG1-CE1 4.44Å; I481-L552 HydrophobicContact CD1-CD1 4.04Å
482	G	82.8	Confident	68.8	Low	21 Å²	21	68 Å²	68	22%	0.216	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.6	164.2	0	0	0	0	0	109.7	T503 E504	G482-T503 PolarHBondContact O-N 2.88Å; G482-T503 PolarHBondContact O-OG1 3.09Å; G482-E504 PolarHBondContact N-O 2.93Å; G482-E504 PolarHBondContact O-N 3.48Å
483	F	84	Confident	67.3	Low	41 Å²	41	68 Å²	68	18%	0.18	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	157.8	178.7	54.6	-89.3	0	0	0	111.6	Y501 H536 I539 F543	F483-Y501 CarbonylContact C-O 3.59Å; F483-Y501 VanDerWaalsContact CA-O 3.24Å; F483-Y501 WeakPolarHBondContact CA-O 3.39Å; F483-H536 AromaticContact CE2-CD2 4Å; F483-H536 AromaticContact CE2-CE1 3.99Å; F483-H536 AromaticContact CE2-NE2 3.83Å; F483-I539 HydrophobicContact CE1-CG2 4.3Å; F483-I539 HydrophobicContact CE2-CG2 3.76Å; F483-I539 HydrophobicContact CZ-CG2 3.64Å; F483-F543 HydrophobicContact CD1-CE1 4.41Å; F483-F543 HydrophobicContact CD1-CE2 4Å; F483-F543 AromaticContact CD1-CZ 3.78Å; F483-F543 HydrophobicContact CD1-CZ 3.78Å; F483-F543 HydrophobicContact CE1-CD1 4.45Å; F483-F543 AromaticContact CE1-CD2 3.91Å; F483-F543 HydrophobicContact CE1-CD2 3.91Å; F483-F543 HydrophobicContact CE1-CE1 4.1Å; F483-F543 AromaticContact CE1-CE2 3.52Å; F483-F543 HydrophobicContact CE1-CE2 3.52Å; F483-F543 HydrophobicContact CE1-CG 4.37Å; F483-F543 AromaticContact CE1-CZ 3.62Å; F483-F543 HydrophobicContact CE1-CZ 3.62Å; F483-F543 HydrophobicContact CZ-CD2 4.26Å; F483-F543 HydrophobicContact CZ-CE2 4.1Å
484	G	77.6	Confident	65.8	Low	12 Å²	12	63.7 Å²	63.7	12%	0.124	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.8	173.4	0	0	0	0	0	110.9	H500 Y501	G484-H500 VanDerWaalsContact O-CA 3.28Å; G484-H500 WeakPolarHBondContact O-CA 3.39Å; G484-Y501 PolarHBondContact N-O 3.15Å; G484-Y501 WeakPolarHBondContact O-CD1 3.27Å; G484-Y501 WeakPolarHBondContact O-CE1 3.27Å; G484-Y501 PolarHBondContact O-N 3.42Å
485	D	77.5	Confident	64.4	Low	15 Å²	15	64.7 Å²	64.7	8%	0.08	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.8	177.4	-176.9	-22.8	0	0	0	109.6	K333 H498 H500 H536	K333-D485 PolarHBondContact NZ-O 3.15Å; D485-H498 IonicContact OD1-CE1 3.21Å; D485-H498 IonicContact OD1-CG 3.05Å; D485-H498 IonicContact OD1-ND1 2.67Å; D485-H498 PolarHBondContact OD1-ND1 3.34Å; D485-H498 IonicContact OD2-CE1 3.05Å; D485-H498 IonicContact OD2-ND1 2.68Å; D485-H498 PolarHBondContact OD2-ND1 3.46Å; D485-H498 VanDerWaalsContact OD2-ND1 3.16Å; D485-H500 VanDerWaalsContact CB-CE1 3.47Å; D485-H500 WeakPolarHBondContact CB-CE1 3.34Å; D485-H500 IonicContact OD1-CE1 2.83Å; D485-H500 IonicContact OD2-CE1 3.84Å; D485-H500 PolarHBondContact OD2-CE1 3.23Å; D485-H500 VanDerWaalsContact OD2-CE1 3.29Å; D485-H500 IonicContact OD2-NE2 2.59Å; D485-H536 PolarHBondContact OD2-N 3.18Å
486	T	62.9	Low	63.6	Low	51 Å²	51	69.5 Å²	69.5	31%	0.313	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.2	167.2	-70.4	0	0	0	0	109.2	H499 Y501	T486-H499 PolarHBondContact N-O 3.36Å; T486-H499 VanDerWaalsContact N-O 3.15Å; T486-H499 PolarHBondContact O-CE1 3.38Å; T486-H499 PolarHBondContact O-N 2.7Å; T486-H499 PolarHBondContact O-ND1 3.4Å; T486-H499 VanDerWaalsContact O-ND1 3.12Å; T486-Y501 WeakPolarHBondContact OG1-CE1 3.29Å; T486-Y501 PolarHBondContact OG1-OH 2.96Å
487	V	61.1	Low	63.3	Low	76 Å²	76	66 Å²	66	46%	0.461	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	109	161.1	-179.3	0	0	0	0	105.8
488	G	47.5	Very low	63.4	Low	8 Å²	8	66.6 Å²	66.6	8%	0.082	36%	0.36	C	S	.	.			trans	-84.7	131.4	-177.2	0	0	0	0	0	112.1	E490	G488-E490 PolarHBondContact O-N 3.33Å
489	D	44.3	Very low	63.3	Low	162 Å²	162	66.9 Å²	66.9	87%	0.866	35%	0.354	S	S	*	.			trans	-82.8	21.5	161.1	-67	-36.9	0	0	0	110.9
490	E	45.1	Very low	63.4	Low	152 Å²	152	66.5 Å²	66.5	71%	0.71	35%	0.352	S	S	*	.	S	Bend	trans	-118	146.9	-162.5	-64.9	-177.2	-178.6	0	0	113.1	G488 I492	G488-E490 PolarHBondContact O-N 3.33Å; E490-I492 VanDerWaalsContact C-N 3.33Å; E490-I492 PolarHBondContact O-N 3.03Å; E490-I492 VanDerWaalsContact O-N 3.15Å
491	E	48.2	Very low	63.8	Low	194 Å²	194	69.7 Å²	69.7	91%	0.907	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.7	-152.1	-57.3	-173.3	139.4	0	0	116
492	I	55	Low	63.9	Low	118 Å²	118	68.5 Å²	68.5	61%	0.605	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-47.4	-170.9	-59.9	178	0	0	0	112.1	E490 Y557	E490-I492 VanDerWaalsContact C-N 3.33Å; E490-I492 PolarHBondContact O-N 3.03Å; E490-I492 VanDerWaalsContact O-N 3.15Å; I492-Y557 HydrophobicContact CD1-CE1 4.21Å
493	F	53.2	Low	64.1	Low	38 Å²	38	69.8 Å²	69.8	17%	0.167	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-30	177.3	-62	-70.9	0	0	0	111.6	F459 Q497 H499 V532	F459-F493 HydrophobicContact CE1-CE1 4.27Å; F459-F493 AromaticContact CE1-CZ 3.82Å; F459-F493 HydrophobicContact CE1-CZ 3.82Å; F459-F493 HydrophobicContact CZ-CE1 4.05Å; F459-F493 AromaticContact CZ-CZ 3.8Å; F459-F493 HydrophobicContact CZ-CZ 3.8Å; F493-Q497 HydrophobicContact CB-CB 3.65Å; F493-Q497 HydrophobicContact CB-CG 4.38Å; F493-Q497 PolarHBondContact O-NE2 3.39Å; F493-Q497 PolarHBondContact O-OE1 2.59Å; F493-H499 HydrophobicContact CD2-CB 4.33Å; F493-H499 HydrophobicContact CE2-CB 4.16Å; F493-V532 HydrophobicContact CD1-CG1 4.05Å; F493-V532 HydrophobicContact CE1-CG1 3.92Å
494	G	44.4	Very low	64.2	Low	25 Å²	25	71 Å²	71	26%	0.258	36%	0.364	S	S	.	.			trans	93.8	163.9	179.4	0	0	0	0	0	113.9	N496 Q497	G494-N496 PolarHBondContact O-N 2.91Å; G494-Q497 WeakPolarHBondContact O-CB 3.36Å; G494-Q497 WeakPolarHBondContact O-CG 3.48Å; G494-Q497 PolarHBondContact O-N 3.02Å
495	E	41.1	Very low	64.7	Low	172 Å²	172	72.5 Å²	72.5	80%	0.804	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	126.5	-166.4	-61.1	-179.3	170.7	0	0	114
496	N	50	Low	64.9	Low	125 Å²	125	74.7 Å²	74.7	67%	0.668	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	26.6	179.1	-43.9	-92.8	0	0	0	116	G494	G494-N496 PolarHBondContact O-N 2.91Å
497	Q	59.9	Low	65.8	Low	62 Å²	62	76.8 Å²	76.8	29%	0.29	40%	0.396	S	S	.	.			trans	-95.4	124.3	174.5	-73.6	-165.1	37.2	0	0	112.9	F493 G494 N533	F493-Q497 HydrophobicContact CB-CB 3.65Å; F493-Q497 HydrophobicContact CB-CG 4.38Å; F493-Q497 PolarHBondContact O-NE2 3.39Å; F493-Q497 PolarHBondContact O-OE1 2.59Å; G494-Q497 WeakPolarHBondContact O-CB 3.36Å; G494-Q497 WeakPolarHBondContact O-CG 3.48Å; G494-Q497 PolarHBondContact O-N 3.02Å; Q497-N533 WeakPolarHBondContact CA-OD1 3.33Å; Q497-N533 WeakPolarHBondContact CB-OD1 3.46Å; Q497-N533 WeakPolarHBondContact CG-OD1 3.31Å; Q497-N533 PolarHBondContact OE1-ND2 2.82Å; Q497-N533 PolarHBondContact OE1-OD1 2.85Å; Q497-N533 VanDerWaalsContact OE1-OD1 3.08Å
498	H	68.4	Low	66.7	Low	53 Å²	53	78.3 Å²	78.3	25%	0.245	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.3	179	-76.6	-89	0	0	0	110.8	D485 N533 K534	D485-H498 IonicContact OD1-CE1 3.21Å; D485-H498 IonicContact OD1-CG 3.05Å; D485-H498 IonicContact OD1-ND1 2.67Å; D485-H498 PolarHBondContact OD1-ND1 3.34Å; D485-H498 IonicContact OD2-CE1 3.05Å; D485-H498 IonicContact OD2-ND1 2.68Å; D485-H498 PolarHBondContact OD2-ND1 3.46Å; D485-H498 VanDerWaalsContact OD2-ND1 3.16Å; H498-N533 WeakPolarHBondContact O-CA 3.47Å; H498-N533 PolarHBondContact O-N 2.85Å; H498-K534 VanDerWaalsContact CB-O 3.23Å; H498-K534 WeakPolarHBondContact CB-O 3.17Å
499	H	76.8	Confident	68.3	Low	33 Å²	33	77.9 Å²	77.9	15%	0.153	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.1	172.8	59	-76.2	0	0	0	110	T486 F493 D522	T486-H499 PolarHBondContact N-O 3.36Å; T486-H499 VanDerWaalsContact N-O 3.15Å; T486-H499 PolarHBondContact O-CE1 3.38Å; T486-H499 PolarHBondContact O-N 2.7Å; T486-H499 PolarHBondContact O-ND1 3.4Å; T486-H499 VanDerWaalsContact O-ND1 3.12Å; F493-H499 HydrophobicContact CD2-CB 4.33Å; F493-H499 HydrophobicContact CE2-CB 4.16Å; H499-D522 IonicContact CD2-OD1 3.64Å
500	H	85	Confident	70.1	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.009	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	114.5	-166.3	-64.7	-92.7	0	0	0	110.2	G484 D485 L523 I531 K534 I539	G484-H500 VanDerWaalsContact O-CA 3.28Å; G484-H500 WeakPolarHBondContact O-CA 3.39Å; D485-H500 VanDerWaalsContact CB-CE1 3.47Å; D485-H500 WeakPolarHBondContact CB-CE1 3.34Å; D485-H500 IonicContact OD1-CE1 2.83Å; D485-H500 IonicContact OD2-CE1 3.84Å; D485-H500 PolarHBondContact OD2-CE1 3.23Å; D485-H500 VanDerWaalsContact OD2-CE1 3.29Å; D485-H500 IonicContact OD2-NE2 2.59Å; H500-L523 VanDerWaalsContact O-CB 3.28Å; H500-L523 WeakPolarHBondContact O-CB 3.18Å; H500-L523 PolarHBondContact O-N 2.9Å; H500-I531 HydrophobicContact CB-CG2 4.3Å; H500-K534 PolarHBondContact NE2-O 3.02Å; H500-I539 WeakPolarHBondContact CD2-CD1 3.48Å; H500-I539 WeakPolarHBondContact CE1-CD1 3.31Å; H500-I539 WeakPolarHBondContact NE2-CD1 3.48Å
501	Y	88.4	Confident	72	Confident	77 Å²	77	64 Å²	64	30%	0.302	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	153.3	-174.7	56.2	-77.6	0	0	0	111.3	F483 G484 T486 T503 D521	F483-Y501 CarbonylContact C-O 3.59Å; F483-Y501 VanDerWaalsContact CA-O 3.24Å; F483-Y501 WeakPolarHBondContact CA-O 3.39Å; G484-Y501 PolarHBondContact N-O 3.15Å; G484-Y501 WeakPolarHBondContact O-CD1 3.27Å; G484-Y501 WeakPolarHBondContact O-CE1 3.27Å; G484-Y501 PolarHBondContact O-N 3.42Å; T486-Y501 WeakPolarHBondContact OG1-CE1 3.29Å; T486-Y501 PolarHBondContact OG1-OH 2.96Å; Y501-T503 HydrophobicContact CD2-CG2 3.8Å; Y501-T503 HydrophobicContact CE2-CG2 3.45Å; Y501-T503 VanDerWaalsContact CE2-CG2 3.45Å; Y501-T503 PolarHBondContact O-N 2.92Å; Y501-D521 CarbonylContact C-O 3.49Å; Y501-D521 VanDerWaalsContact CA-O 3.25Å; Y501-D521 WeakPolarHBondContact CA-O 3.38Å
502	I	88.6	Confident	73.6	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	125	179.9	-59.1	175.8	0	0	0	109.7	I505 L517 I519 G520 D521	I502-I505 HydrophobicContact CG2-CD1 3.88Å; I502-I505 HydrophobicContact CG2-CG1 3.49Å; I502-I505 VanDerWaalsContact CG2-CG1 3.49Å; I502-L517 HydrophobicContact CD1-CB 3.88Å; I502-L517 HydrophobicContact CD1-CD1 3.77Å; I502-L517 HydrophobicContact CD1-CD2 4.49Å; I502-L517 HydrophobicContact CD1-CG 4.24Å; I502-I519 CarbonylContact O-C 3.56Å; I502-I519 WeakPolarHBondContact O-CA 3.4Å; I502-G520 PolarHBondContact O-N 2.92Å; I502-D521 HydrophobicContact CD1-CB 4.2Å; I502-D521 PolarHBondContact N-O 3.38Å
503	T	88.1	Confident	74.8	Confident	48 Å²	48	56.5 Å²	56.5	29%	0.294	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-31.3	-175.6	55	0	0	0	0	113.7	G482 Y501	G482-T503 PolarHBondContact O-N 2.88Å; G482-T503 PolarHBondContact O-OG1 3.09Å; Y501-T503 HydrophobicContact CD2-CG2 3.8Å; Y501-T503 HydrophobicContact CE2-CG2 3.45Å; Y501-T503 VanDerWaalsContact CE2-CG2 3.45Å; Y501-T503 PolarHBondContact O-N 2.92Å
504	E	85.6	Confident	75.9	Confident	66 Å²	66	57.6 Å²	57.6	31%	0.308	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	138	175.5	-68.4	-177.4	132.4	0	0	108.4	K340 R344 G482	K340-E504 IonicContact NZ-OE2 3.61Å; K340-E504 PolarHBondContact NZ-OE2 3.35Å; R344-E504 IonicContact CZ-OE1 2.94Å; R344-E504 IonicContact NH1-OE1 2.65Å; R344-E504 PolarHBondContact NH1-OE1 2.85Å; R344-E504 IonicContact NH2-OE1 3.2Å; R344-E504 PolarHBondContact NH2-OE1 2.98Å; R344-E504 IonicContact NH2-OE2 2.86Å; G482-E504 PolarHBondContact N-O 2.93Å; G482-E504 PolarHBondContact O-N 3.48Å
505	I	86.9	Confident	77.6	Confident	44 Å²	44	58.8 Å²	58.8	23%	0.226	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129	169.6	-56.1	179.6	0	0	0	107.8	I502 L517 I519	I502-I505 HydrophobicContact CG2-CD1 3.88Å; I502-I505 HydrophobicContact CG2-CG1 3.49Å; I502-I505 VanDerWaalsContact CG2-CG1 3.49Å; I505-L517 HydrophobicContact CD1-CB 4.31Å; I505-L517 VanDerWaalsContact CD1-O 3.22Å; I505-L517 WeakPolarHBondContact CD1-O 3.24Å; I505-I519 HydrophobicContact CG1-CG1 4.44Å
506	N	83.2	Confident	79.6	Confident	62 Å²	62	52.6 Å²	52.6	33%	0.332	28%	0.283	S	S	.	.			trans	-87.3	114.5	173.6	178.7	10.4	0	0	0	109.3	C477 G480 E508 G509 G512	C477-N506 PolarHBondContact SG-ND2 3.17Å; G480-N506 WeakPolarHBondContact O-CB 2.92Å; G480-N506 PolarHBondContact O-N 3.03Å; N506-E508 PolarHBondContact O-N 2.88Å; N506-E508 VanDerWaalsContact O-N 3.08Å; N506-E508 PolarHBondContact OD1-N 3.5Å; N506-E508 VanDerWaalsContact OD1-N 3.14Å; N506-G509 PolarHBondContact O-N 2.94Å; N506-G512 WeakPolarHBondContact O-CA 3.34Å
507	P	81.5	Confident	81.3	Confident	95 Å²	95	47 Å²	47	62%	0.617	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.4	-179.4	27.2	-36	0	0	0	114	K513	P507-K513 WeakPolarHBondContact O-CG 3.47Å
508	E	78.8	Confident	82.6	Confident	107 Å²	107	46.6 Å²	46.6	50%	0.5	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-9.3	173.6	-71.6	-68.3	175.1	0	0	113.9	N506 K513	N506-E508 PolarHBondContact O-N 2.88Å; N506-E508 VanDerWaalsContact O-N 3.08Å; N506-E508 PolarHBondContact OD1-N 3.5Å; N506-E508 VanDerWaalsContact OD1-N 3.14Å; E508-K513 WeakPolarHBondContact O-CE 3.26Å; E508-K513 PolarHBondContact O-NZ 3.39Å; E508-K513 VanDerWaalsContact OE2-CE 3.23Å; E508-K513 WeakPolarHBondContact OE2-CE 3.45Å; E508-K513 IonicContact OE2-NZ 3.73Å; E508-K513 PolarHBondContact OE2-NZ 2.84Å
509	G	81.3	Confident	83.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-84.2	166.3	177.9	0	0	0	0	0	113.4	C477 N506 I511 G512 K513	C477-G509 WeakPolarHBondContact SG-CA 3.19Å; N506-G509 PolarHBondContact O-N 2.94Å; G509-I511 VanDerWaalsContact C-N 3.33Å; G509-I511 PolarHBondContact O-N 2.73Å; G509-G512 PolarHBondContact O-N 3Å; G509-G512 VanDerWaalsContact O-N 3.1Å; G509-K513 WeakPolarHBondContact O-CB 3.22Å; G509-K513 WeakPolarHBondContact O-CG 3.24Å; G509-K513 PolarHBondContact O-N 3.03Å
510	P	83.4	Confident	83.7	Confident	20 Å²	20	50.3 Å²	50.3	13%	0.13	29%	0.289	C	S	.	.	H	α-helix	trans	-50.8	-48.7	179.5	-29.4	36.1	0	0	0	113.3	D471 S475 G478 L479 K513 E514	D471-P510 WeakPolarHBondContact O-CB 3.25Å; D471-P510 WeakPolarHBondContact O-CG 3.16Å; S475-P510 WeakPolarHBondContact OG-CD 3.48Å; G478-P510 WeakPolarHBondContact O-CD 3.49Å; G478-P510 WeakPolarHBondContact O-CG 3.41Å; L479-P510 WeakPolarHBondContact O-CD 3.31Å; P510-K513 PolarHBondContact O-N 2.77Å; P510-E514 VanDerWaalsContact O-CB 3.27Å; P510-E514 WeakPolarHBondContact O-CB 3.31Å; P510-E514 PolarHBondContact O-N 3.38Å
511	I	85.4	Confident	83.9	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-68.6	-38.8	179.1	-57.8	-58.8	0	0	0	111.8	V468 L479 I481 G509 E514 G515 L517 L552	V468-I511 HydrophobicContact CG1-CD1 3.6Å; L479-I511 HydrophobicContact CB-CG1 4.36Å; L479-I511 HydrophobicContact CD2-CG1 4.42Å; L479-I511 WeakPolarHBondContact O-CG1 3.47Å; L479-I511 PolarHBondContact O-N 2.96Å; I481-I511 HydrophobicContact CG2-CB 3.78Å; I481-I511 HydrophobicContact CG2-CG1 3.91Å; I481-I511 HydrophobicContact CG2-CG2 3.65Å; G509-I511 VanDerWaalsContact C-N 3.33Å; G509-I511 PolarHBondContact O-N 2.73Å; I511-E514 PolarHBondContact O-N 2.93Å; I511-G515 PolarHBondContact O-N 2.75Å; I511-L517 HydrophobicContact CG2-CB 3.92Å; I511-L517 HydrophobicContact CG2-CD1 3.8Å; I511-L517 HydrophobicContact CG2-CG 4.17Å; I511-L552 HydrophobicContact CD1-CD1 3.62Å; I511-L552 HydrophobicContact CD1-CG 4.46Å; I511-L552 HydrophobicContact CG1-CD1 4.15Å
512	G	81.6	Confident	83.8	Confident	21 Å²	21	47.1 Å²	47.1	22%	0.216	28%	0.277	C	S	.	.	H	α-helix	trans	-73.8	-24.4	179.9	0	0	0	0	0	114.5	N506 G509	N506-G512 WeakPolarHBondContact O-CA 3.34Å; G509-G512 PolarHBondContact O-N 3Å; G509-G512 VanDerWaalsContact O-N 3.1Å
513	K	78.4	Confident	83.9	Confident	135 Å²	135	47.1 Å²	47.1	59%	0.587	28%	0.277	S	S	*	.	H	α-helix	trans	-79.2	-27	172.2	-77.2	175.9	165.1	141.1	0	113	P507 E508 G509 P510	P507-K513 WeakPolarHBondContact O-CG 3.47Å; E508-K513 WeakPolarHBondContact O-CE 3.26Å; E508-K513 PolarHBondContact O-NZ 3.39Å; E508-K513 VanDerWaalsContact OE2-CE 3.23Å; E508-K513 WeakPolarHBondContact OE2-CE 3.45Å; E508-K513 IonicContact OE2-NZ 3.73Å; E508-K513 PolarHBondContact OE2-NZ 2.84Å; G509-K513 WeakPolarHBondContact O-CB 3.22Å; G509-K513 WeakPolarHBondContact O-CG 3.24Å; G509-K513 PolarHBondContact O-N 3.03Å; P510-K513 PolarHBondContact O-N 2.77Å
514	E	77.3	Confident	83.9	Confident	60 Å²	60	44.9 Å²	44.9	28%	0.28	26%	0.263	S	S	.	.	H	α-helix	trans	-85.2	-50.8	179.6	170.2	-78.5	115.8	0	0	111	N434 V468 P510 I511 T516	N434-E514 HydrophobicContact CB-CG 4.32Å; N434-E514 VanDerWaalsContact CG-CD 3.49Å; N434-E514 VanDerWaalsContact CG-OE1 3.29Å; N434-E514 WeakPolarHBondContact ND2-CG 3.3Å; N434-E514 PolarHBondContact ND2-OE1 2.52Å; N434-E514 VanDerWaalsContact ND2-OE1 3.11Å; N434-E514 PolarHBondContact ND2-OE2 3.21Å; N434-E514 VanDerWaalsContact ND2-OE2 3.12Å; N434-E514 PolarHBondContact OD1-OE1 3.28Å; V468-E514 WeakPolarHBondContact CG1-OE2 3.24Å; P510-E514 VanDerWaalsContact O-CB 3.27Å; P510-E514 WeakPolarHBondContact O-CB 3.31Å; P510-E514 PolarHBondContact O-N 3.38Å; I511-E514 PolarHBondContact O-N 2.93Å; E514-T516 VanDerWaalsContact CD-OG1 3.32Å; E514-T516 WeakPolarHBondContact OE1-CB 3.39Å; E514-T516 VanDerWaalsContact OE1-CG2 3.23Å; E514-T516 WeakPolarHBondContact OE1-CG2 3.28Å; E514-T516 PolarHBondContact OE1-N 3.31Å; E514-T516 PolarHBondContact OE1-OG1 3.15Å; E514-T516 PolarHBondContact OE2-OG1 3.15Å
515	G	79.8	Confident	84	Confident	50 Å²	50	41.8 Å²	41.8	52%	0.515	25%	0.249	S	C	.	.			trans	89.6	7	157.8	0	0	0	0	0	118.7	I511	I511-G515 PolarHBondContact O-N 2.75Å
516	T	82.8	Confident	84.1	Confident	42 Å²	42	39.8 Å²	39.8	26%	0.258	24%	0.239	S	C	.	.			trans	-79.7	-28.2	174.9	53.4	0	0	0	0	114.4	N434 V468 E514 R556	N434-T516 VanDerWaalsContact OD1-CG2 3.27Å; N434-T516 WeakPolarHBondContact OD1-CG2 3.31Å; N434-T516 PolarHBondContact OD1-OG1 3.24Å; V468-T516 WeakPolarHBondContact CG2-OG1 3.26Å; E514-T516 VanDerWaalsContact CD-OG1 3.32Å; E514-T516 WeakPolarHBondContact OE1-CB 3.39Å; E514-T516 VanDerWaalsContact OE1-CG2 3.23Å; E514-T516 WeakPolarHBondContact OE1-CG2 3.28Å; E514-T516 PolarHBondContact OE1-N 3.31Å; E514-T516 PolarHBondContact OE1-OG1 3.15Å; E514-T516 PolarHBondContact OE2-OG1 3.15Å; T516-R556 PolarHBondContact O-NH2 2.81Å
517	L	86.8	Confident	84.1	Confident	7 Å²	7	38.4 Å²	38.4	4%	0.037	23%	0.231	C	C	.	.			trans	-78	144.8	175.1	-62.5	-175.5	0	0	0	111.5	L466 V468 I502 I505 I511 D521 L552 C554	L466-L517 HydrophobicContact CB-CD2 4.09Å; L466-L517 HydrophobicContact CD1-CD2 3.64Å; V468-L517 HydrophobicContact CB-CD1 4.27Å; V468-L517 HydrophobicContact CB-CG 4.37Å; V468-L517 HydrophobicContact CG1-CD1 3.85Å; V468-L517 HydrophobicContact CG1-CG 4.09Å; V468-L517 HydrophobicContact CG2-CD1 4.3Å; V468-L517 HydrophobicContact CG2-CD2 3.74Å; V468-L517 HydrophobicContact CG2-CG 3.87Å; I502-L517 HydrophobicContact CD1-CB 3.88Å; I502-L517 HydrophobicContact CD1-CD1 3.77Å; I502-L517 HydrophobicContact CD1-CD2 4.49Å; I502-L517 HydrophobicContact CD1-CG 4.24Å; I505-L517 HydrophobicContact CD1-CB 4.31Å; I505-L517 VanDerWaalsContact CD1-O 3.22Å; I505-L517 WeakPolarHBondContact CD1-O 3.24Å; I511-L517 HydrophobicContact CG2-CB 3.92Å; I511-L517 HydrophobicContact CG2-CD1 3.8Å; I511-L517 HydrophobicContact CG2-CG 4.17Å; L517-D521 WeakPolarHBondContact CA-OD2 3.26Å; L517-L552 HydrophobicContact CD1-CD1 3.84Å; L517-C554 HydrophobicContact CD2-CB 3.78Å
518	S	85.7	Confident	84.1	Confident	54 Å²	54	39 Å²	39	38%	0.378	23%	0.229	S	C	.	.			trans	-128.4	158.6	-176.6	-70.4	0	0	0	0	111.1	G520 D521 R556	S518-G520 PolarHBondContact O-N 3.36Å; S518-D521 PolarHBondContact N-OD2 3.35Å; S518-D521 PolarHBondContact O-N 3.5Å; S518-R556 PolarHBondContact OG-NH2 3.28Å
519	I	85.9	Confident	84.4	Confident	121 Å²	121	36.3 Å²	36.3	62%	0.621	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	124.4	171.3	-61.3	174	0	0	0	107.8	I502 I505	I502-I519 CarbonylContact O-C 3.56Å; I502-I519 WeakPolarHBondContact O-CA 3.4Å; I505-I519 HydrophobicContact CG1-CG1 4.44Å
520	G	83.2	Confident	84.6	Confident	43 Å²	43	39.1 Å²	39.1	44%	0.443	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.6	-9	-173.7	0	0	0	0	0	115.4	I502 S518	I502-G520 PolarHBondContact O-N 2.92Å; S518-G520 PolarHBondContact O-N 3.36Å
521	D	88.7	Confident	84.7	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	23%	0.231	C	C	.	.			trans	-73	134.5	173.7	-60.6	-16.9	0	0	0	110.9	L466 Y501 I502 L517 S518 C554 A555 R556	L466-D521 WeakPolarHBondContact CD1-OD2 3.38Å; Y501-D521 CarbonylContact C-O 3.49Å; Y501-D521 VanDerWaalsContact CA-O 3.25Å; Y501-D521 WeakPolarHBondContact CA-O 3.38Å; I502-D521 HydrophobicContact CD1-CB 4.2Å; I502-D521 PolarHBondContact N-O 3.38Å; L517-D521 WeakPolarHBondContact CA-OD2 3.26Å; S518-D521 PolarHBondContact N-OD2 3.35Å; S518-D521 PolarHBondContact O-N 3.5Å; D521-C554 HydrophobicContact CB-CB 4.46Å; D521-A555 CarbonylContact C-O 3.53Å; D521-A555 WeakPolarHBondContact CA-O 3.48Å; D521-R556 VanDerWaalsContact CG-NH2 3.34Å; D521-R556 IonicContact OD1-CZ 2.77Å; D521-R556 IonicContact OD1-NE 3.57Å; D521-R556 PolarHBondContact OD1-NE 2.84Å; D521-R556 IonicContact OD1-NH2 2.76Å; D521-R556 PolarHBondContact OD1-NH2 3.15Å; D521-R556 IonicContact OD2-CZ 3.74Å; D521-R556 IonicContact OD2-NE 3.19Å; D521-R556 IonicContact OD2-NH2 3.39Å; D521-R556 PolarHBondContact OD2-NH2 3.39Å
522	D	87.7	Confident	84.5	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.043	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	141.3	173.9	-103.9	-11.4	0	0	0	111.2	H499 L524 C554 A555 Y557	H499-D522 IonicContact CD2-OD1 3.64Å; D522-L524 HydrophobicContact CB-CD2 4.48Å; D522-C554 CarbonylContact O-C 3.52Å; D522-C554 WeakPolarHBondContact O-CA 3.48Å; D522-C554 WeakPolarHBondContact O-CB 3.32Å; D522-A555 HydrophobicContact CB-CB 4.21Å; D522-A555 PolarHBondContact N-O 3.42Å; D522-A555 PolarHBondContact O-N 3.05Å; D522-Y557 HydrophobicContact CB-CE2 4.2Å; D522-Y557 VanDerWaalsContact OD2-CE2 3.26Å; D522-Y557 WeakPolarHBondContact OD2-CE2 3.36Å; D522-Y557 PolarHBondContact OD2-OH 3.05Å
523	L	89.2	Confident	84.2	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.5	-178	179.9	63.4	0	0	0	110.6	H500 I526 I531 F543 L552	H500-L523 VanDerWaalsContact O-CB 3.28Å; H500-L523 WeakPolarHBondContact O-CB 3.18Å; H500-L523 PolarHBondContact O-N 2.9Å; L523-I526 HydrophobicContact CD1-CD1 4.34Å; L523-I526 HydrophobicContact CD1-CG1 4.15Å; L523-I526 HydrophobicContact CD2-CD1 4.27Å; L523-I531 HydrophobicContact CD2-CD1 3.88Å; L523-I531 HydrophobicContact CD2-CG2 4.4Å; L523-I531 HydrophobicContact CG-CD1 4.1Å; L523-I531 HydrophobicContact CG-CG2 4.25Å; L523-I531 WeakPolarHBondContact O-CG2 3.38Å; L523-F543 HydrophobicContact CD2-CE2 4.39Å; L523-F543 HydrophobicContact CD2-CZ 4.15Å; L523-L552 HydrophobicContact CD1-CB 4.33Å
524	L	88.4	Confident	84.4	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-44.8	-169.3	-55	-178.2	0	0	0	113.8	W455 F459 L465 D522 I531 V532 I553 A555	W455-L524 HydrophobicContact CD2-CB 4.33Å; W455-L524 HydrophobicContact CD2-CD1 4.02Å; W455-L524 HydrophobicContact CE3-CB 4.45Å; W455-L524 HydrophobicContact CE3-CD1 4Å; W455-L524 HydrophobicContact CG-CD1 4.34Å; W455-L524 HydrophobicContact CH2-CB 3.97Å; W455-L524 HydrophobicContact CZ2-CB 3.85Å; W455-L524 HydrophobicContact CZ3-CB 4.28Å; W455-L524 HydrophobicContact CZ3-CD1 4.44Å; W455-L524 HydrophobicContact CZ3-CD2 4.4Å; F459-L524 HydrophobicContact CD2-CD1 4.37Å; F459-L524 HydrophobicContact CE2-CD1 3.56Å; F459-L524 HydrophobicContact CE2-CD2 3.83Å; F459-L524 HydrophobicContact CE2-CG 4.35Å; F459-L524 HydrophobicContact CZ-CD1 4.12Å; F459-L524 HydrophobicContact CZ-CD2 3.57Å; L465-L524 HydrophobicContact CD2-CD1 3.74Å; D522-L524 HydrophobicContact CB-CD2 4.48Å; L524-I531 PolarHBondContact O-N 2.99Å; L524-V532 HydrophobicContact CB-CG2 4.33Å; L524-V532 HydrophobicContact CD2-CG2 3.73Å; L524-I553 WeakPolarHBondContact CA-O 3.39Å; L524-I553 HydrophobicContact CB-CB 4.49Å; L524-I553 HydrophobicContact CB-CG2 4.45Å; L524-I553 WeakPolarHBondContact CB-O 3.35Å; L524-I553 HydrophobicContact CD1-CG2 4.22Å; L524-I553 PolarHBondContact N-O 3.34Å; L524-A555 HydrophobicContact CD1-CB 3.92Å; L524-A555 HydrophobicContact CD2-CB 4.17Å; L524-A555 HydrophobicContact CG-CB 4.2Å
525	E	88.9	Confident	84.5	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	144.9	-172.6	-162.7	-178.3	123.9	0	0	110.7	K454 W455 N528 V529 V530 Y551 L552 I553	K454-E525 IonicContact NZ-OE1 2.72Å; K454-E525 PolarHBondContact NZ-OE1 3.45Å; K454-E525 IonicContact NZ-OE2 2.76Å; K454-E525 PolarHBondContact NZ-OE2 3.28Å; W455-E525 HydrophobicContact CZ2-CB 4.2Å; W455-E525 PolarHBondContact NE1-OE2 3.32Å; E525-N528 VanDerWaalsContact OE1-CA 3.22Å; E525-N528 WeakPolarHBondContact OE1-CA 2.95Å; E525-N528 PolarHBondContact OE1-N 3.07Å; E525-V529 WeakPolarHBondContact CA-O 3.28Å; E525-V530 HydrophobicContact CG-CG2 4.39Å; E525-Y551 PolarHBondContact OE1-OH 2.86Å; E525-L552 CarbonylContact O-C 3.55Å; E525-L552 WeakPolarHBondContact O-CA 3.23Å; E525-I553 HydrophobicContact CB-CB 3.94Å; E525-I553 HydrophobicContact CB-CD1 4Å; E525-I553 HydrophobicContact CB-CG1 4Å; E525-I553 HydrophobicContact CG-CD1 4.44Å; E525-I553 PolarHBondContact N-O 3.12Å; E525-I553 PolarHBondContact O-N 2.98Å
526	I	87.7	Confident	84.3	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	116.9	167.5	-62.1	-171.3	0	0	0	108.2	L523 N528 V529 I531 F543 I546 L552	L523-I526 HydrophobicContact CD1-CD1 4.34Å; L523-I526 HydrophobicContact CD1-CG1 4.15Å; L523-I526 HydrophobicContact CD2-CD1 4.27Å; I526-N528 PolarHBondContact O-N 3.05Å; I526-V529 PolarHBondContact N-O 2.89Å; I526-V529 WeakPolarHBondContact O-CA 3.41Å; I526-V529 WeakPolarHBondContact O-CB 3.31Å; I526-V529 PolarHBondContact O-N 2.99Å; I526-I531 HydrophobicContact CB-CD1 4.34Å; I526-I531 HydrophobicContact CD1-CD1 3.53Å; I526-I531 HydrophobicContact CG1-CD1 3.61Å; I526-I531 HydrophobicContact CG1-CG1 4.45Å; I526-F543 HydrophobicContact CD1-CE1 4.38Å; I526-F543 HydrophobicContact CD1-CE2 3.88Å; I526-F543 HydrophobicContact CD1-CZ 3.74Å; I526-I546 HydrophobicContact CD1-CD1 3.89Å; I526-I546 HydrophobicContact CG2-CD1 3.87Å; I526-I546 HydrophobicContact CG2-CG1 4.02Å; I526-L552 HydrophobicContact CB-CD2 4.34Å; I526-L552 HydrophobicContact CD1-CD2 3.65Å; I526-L552 HydrophobicContact CG1-CD2 3.6Å; I526-L552 HydrophobicContact CG2-CD2 4.08Å
527	N	83.9	Confident	84	Confident	33 Å²	33	37.2 Å²	37.2	18%	0.176	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	50.3	173.8	-61.2	-55.4	0	0	0	115.3	Y470 V529 G550 Y551	Y470-N527 PolarHBondContact OH-ND2 3.35Å; N527-V529 PolarHBondContact O-N 2.84Å; N527-G550 WeakPolarHBondContact OD1-CA 3.46Å; N527-Y551 PolarHBondContact N-O 3.32Å; N527-Y551 VanDerWaalsContact N-O 3.08Å; N527-Y551 PolarHBondContact OD1-N 3.02Å
528	N	81.8	Confident	83.6	Confident	106 Å²	106	41.7 Å²	41.7	57%	0.567	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	1.2	-171.5	-55.9	-85.6	0	0	0	116	E525 I526 Y551	E525-N528 VanDerWaalsContact OE1-CA 3.22Å; E525-N528 WeakPolarHBondContact OE1-CA 2.95Å; E525-N528 PolarHBondContact OE1-N 3.07Å; I526-N528 PolarHBondContact O-N 3.05Å; N528-Y551 PolarHBondContact N-OH 3.44Å; N528-Y551 PolarHBondContact ND2-OH 3.37Å; N528-Y551 VanDerWaalsContact ND2-OH 3.09Å; N528-Y551 PolarHBondContact OD1-OH 3.43Å
529	V	84.1	Confident	83.4	Confident	51 Å²	51	39.1 Å²	39.1	31%	0.309	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	99.8	172.7	-170.9	0	0	0	0	108.9	E525 I526 N527 I531 K534 I542	E525-V529 WeakPolarHBondContact CA-O 3.28Å; I526-V529 PolarHBondContact N-O 2.89Å; I526-V529 WeakPolarHBondContact O-CA 3.41Å; I526-V529 WeakPolarHBondContact O-CB 3.31Å; I526-V529 PolarHBondContact O-N 2.99Å; N527-V529 PolarHBondContact O-N 2.84Å; V529-I531 PolarHBondContact O-N 3.35Å; V529-K534 VanDerWaalsContact CG1-NZ 3.29Å; V529-I542 HydrophobicContact CG1-CD1 3.56Å; V529-I542 HydrophobicContact CG1-CG1 4.02Å; V529-I542 HydrophobicContact CG1-CG2 4.2Å
530	V	86.4	Confident	82.8	Confident	60 Å²	60	35.3 Å²	35.3	36%	0.364	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	136.2	171.9	178.8	0	0	0	0	109.9	W455 E525 V532 K534	W455-V530 HydrophobicContact CH2-CG1 3.79Å; W455-V530 HydrophobicContact CZ2-CG1 3.93Å; W455-V530 HydrophobicContact CZ2-CG2 4.07Å; E525-V530 HydrophobicContact CG-CG2 4.39Å; V530-V532 HydrophobicContact CG1-CB 4.24Å; V530-K534 WeakPolarHBondContact O-CD 3.45Å; V530-K534 VanDerWaalsContact O-CE 3.23Å; V530-K534 WeakPolarHBondContact O-CE 3.24Å; V530-K534 PolarHBondContact O-NZ 3.43Å
531	I	84.5	Confident	82.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.			trans	-108.3	-27.7	-178.6	-75.8	-163.6	0	0	0	112.4	H500 L523 L524 I526 V529 N533 K534 I539 F543	H500-I531 HydrophobicContact CB-CG2 4.3Å; L523-I531 HydrophobicContact CD2-CD1 3.88Å; L523-I531 HydrophobicContact CD2-CG2 4.4Å; L523-I531 HydrophobicContact CG-CD1 4.1Å; L523-I531 HydrophobicContact CG-CG2 4.25Å; L523-I531 WeakPolarHBondContact O-CG2 3.38Å; L524-I531 PolarHBondContact O-N 2.99Å; I526-I531 HydrophobicContact CB-CD1 4.34Å; I526-I531 HydrophobicContact CD1-CD1 3.53Å; I526-I531 HydrophobicContact CG1-CD1 3.61Å; I526-I531 HydrophobicContact CG1-CG1 4.45Å; V529-I531 PolarHBondContact O-N 3.35Å; I531-N533 PolarHBondContact O-N 3.45Å; I531-K534 WeakPolarHBondContact O-CB 3.33Å; I531-K534 PolarHBondContact O-N 2.8Å; I531-K534 VanDerWaalsContact O-N 3.09Å; I531-I539 HydrophobicContact CD1-CG2 4.46Å; I531-I539 HydrophobicContact CG2-CD1 3.69Å; I531-I539 HydrophobicContact CG2-CG1 4.1Å; I531-F543 HydrophobicContact CD1-CE2 4.29Å
532	V	81.2	Confident	82.1	Confident	20 Å²	20	37.6 Å²	37.6	12%	0.121	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	135.8	170.8	-173.5	0	0	0	0	110.2	W455 F493 L524 V530 K534	W455-V532 HydrophobicContact CH2-CB 4.25Å; W455-V532 HydrophobicContact CH2-CG2 3.6Å; W455-V532 HydrophobicContact CZ3-CG2 3.93Å; F493-V532 HydrophobicContact CD1-CG1 4.05Å; F493-V532 HydrophobicContact CE1-CG1 3.92Å; L524-V532 HydrophobicContact CB-CG2 4.33Å; L524-V532 HydrophobicContact CD2-CG2 3.73Å; V530-V532 HydrophobicContact CG1-CB 4.24Å; V532-K534 PolarHBondContact O-N 2.87Å
533	N	77	Confident	81.7	Confident	80 Å²	80	39 Å²	39	43%	0.428	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	8.2	-177.4	-66.2	-38.2	0	0	0	117.4	Q497 H498 I531	Q497-N533 WeakPolarHBondContact CA-OD1 3.33Å; Q497-N533 WeakPolarHBondContact CB-OD1 3.46Å; Q497-N533 WeakPolarHBondContact CG-OD1 3.31Å; Q497-N533 PolarHBondContact OE1-ND2 2.82Å; Q497-N533 PolarHBondContact OE1-OD1 2.85Å; Q497-N533 VanDerWaalsContact OE1-OD1 3.08Å; H498-N533 WeakPolarHBondContact O-CA 3.47Å; H498-N533 PolarHBondContact O-N 2.85Å; I531-N533 PolarHBondContact O-N 3.45Å
534	K	81.7	Confident	81.1	Confident	47 Å²	47	43.1 Å²	43.1	20%	0.204	24%	0.239	C	C	.	.			trans	-87.9	145.7	166.5	-61.8	-162.6	164.5	148.3	0	110.3	H498 H500 V529 V530 I531 V532 E538 I539 I542	H498-K534 VanDerWaalsContact CB-O 3.23Å; H498-K534 WeakPolarHBondContact CB-O 3.17Å; H500-K534 PolarHBondContact NE2-O 3.02Å; V529-K534 VanDerWaalsContact CG1-NZ 3.29Å; V530-K534 WeakPolarHBondContact O-CD 3.45Å; V530-K534 VanDerWaalsContact O-CE 3.23Å; V530-K534 WeakPolarHBondContact O-CE 3.24Å; V530-K534 PolarHBondContact O-NZ 3.43Å; I531-K534 WeakPolarHBondContact O-CB 3.33Å; I531-K534 PolarHBondContact O-N 2.8Å; I531-K534 VanDerWaalsContact O-N 3.09Å; V532-K534 PolarHBondContact O-N 2.87Å; K534-E538 HydrophobicContact CB-CB 4.1Å; K534-E538 WeakPolarHBondContact CB-OE2 3.38Å; K534-E538 HydrophobicContact CD-CB 4.18Å; K534-E538 WeakPolarHBondContact CD-OE2 3.28Å; K534-E538 VanDerWaalsContact CG-OE2 3.22Å; K534-E538 WeakPolarHBondContact CG-OE2 3.4Å; K534-I539 HydrophobicContact CB-CD1 3.96Å; K534-I539 HydrophobicContact CB-CG1 3.78Å; K534-I542 HydrophobicContact CD-CD1 3.66Å
535	D	78.4	Confident	80.7	Confident	56 Å²	56	48.2 Å²	48.2	30%	0.299	27%	0.271	S	S	.	.			trans	-77.8	167.9	169	70.4	20.6	0	0	0	110.8	L537 E538 I539	D535-L537 PolarHBondContact O-N 3.08Å; D535-L537 VanDerWaalsContact OD1-CA 3.29Å; D535-L537 WeakPolarHBondContact OD1-CA 3.38Å; D535-L537 WeakPolarHBondContact OD1-CB 3.31Å; D535-L537 PolarHBondContact OD1-N 3.19Å; D535-E538 PolarHBondContact O-N 2.93Å; D535-E538 PolarHBondContact OD1-N 2.87Å; D535-I539 WeakPolarHBondContact O-CD1 3.39Å; D535-I539 WeakPolarHBondContact O-CG1 3.35Å; D535-I539 PolarHBondContact O-N 2.79Å; D535-I539 VanDerWaalsContact O-N 3.11Å
536	H	76.4	Confident	80.3	Confident	57 Å²	57	49.4 Å²	49.4	26%	0.264	28%	0.277	S	S	.	.	H	α-helix	trans	-57.5	-17.3	175.6	-166.4	-54.1	0	0	0	113.4	F483 D485 S540	F483-H536 AromaticContact CE2-CD2 4Å; F483-H536 AromaticContact CE2-CE1 3.99Å; F483-H536 AromaticContact CE2-NE2 3.83Å; D485-H536 PolarHBondContact OD2-N 3.18Å; H536-S540 VanDerWaalsContact O-CB 3.22Å; H536-S540 WeakPolarHBondContact O-CB 3.27Å; H536-S540 PolarHBondContact O-N 2.87Å; H536-S540 PolarHBondContact O-OG 3.14Å
537	L	76.3	Confident	80.1	Confident	29 Å²	29	52.5 Å²	52.5	15%	0.152	30%	0.297	C	S	.	.	H	α-helix	trans	-86	-48.7	-175.6	-53.3	161.6	0	0	0	110.6	N290 Q291 D535 I539 S540 S541	N290-L537 WeakPolarHBondContact O-CD2 3.02Å; Q291-L537 HydrophobicContact CB-CD1 4.08Å; Q291-L537 HydrophobicContact CG-CB 4.39Å; Q291-L537 HydrophobicContact CG-CD1 4.21Å; Q291-L537 HydrophobicContact CG-CD2 4.41Å; Q291-L537 WeakPolarHBondContact O-CD1 3.47Å; D535-L537 PolarHBondContact O-N 3.08Å; D535-L537 VanDerWaalsContact OD1-CA 3.29Å; D535-L537 WeakPolarHBondContact OD1-CA 3.38Å; D535-L537 WeakPolarHBondContact OD1-CB 3.31Å; D535-L537 PolarHBondContact OD1-N 3.19Å; L537-I539 VanDerWaalsContact C-N 3.26Å; L537-I539 PolarHBondContact O-N 3.34Å; L537-S540 WeakPolarHBondContact CA-OG 3.07Å; L537-S540 PolarHBondContact O-N 3.08Å; L537-S540 PolarHBondContact O-OG 3.37Å; L537-S541 PolarHBondContact O-N 3.17Å
538	E	79.5	Confident	80	Confident	100 Å²	100	53.7 Å²	53.7	47%	0.467	31%	0.308	S	S	.	.	H	α-helix	trans	-56.3	-44.1	168	-67.9	-163.6	149.8	0	0	110.6	K534 D535 S541 I542	K534-E538 HydrophobicContact CB-CB 4.1Å; K534-E538 WeakPolarHBondContact CB-OE2 3.38Å; K534-E538 HydrophobicContact CD-CB 4.18Å; K534-E538 WeakPolarHBondContact CD-OE2 3.28Å; K534-E538 VanDerWaalsContact CG-OE2 3.22Å; K534-E538 WeakPolarHBondContact CG-OE2 3.4Å; D535-E538 PolarHBondContact O-N 2.93Å; D535-E538 PolarHBondContact OD1-N 2.87Å; E538-S541 WeakPolarHBondContact O-CB 3.3Å; E538-S541 PolarHBondContact O-N 3.27Å; E538-S541 VanDerWaalsContact O-N 3.15Å; E538-S541 PolarHBondContact O-OG 2.97Å; E538-I542 WeakPolarHBondContact O-CD1 3.2Å; E538-I542 WeakPolarHBondContact O-CG1 3.36Å; E538-I542 PolarHBondContact O-N 3.05Å
539	I	80.9	Confident	80.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66	-43.8	178.8	-67.3	162.5	0	0	0	112.1	F483 H500 I531 K534 D535 L537 S541 I542 F543	F483-I539 HydrophobicContact CE1-CG2 4.3Å; F483-I539 HydrophobicContact CE2-CG2 3.76Å; F483-I539 HydrophobicContact CZ-CG2 3.64Å; H500-I539 WeakPolarHBondContact CD2-CD1 3.48Å; H500-I539 WeakPolarHBondContact CE1-CD1 3.31Å; H500-I539 WeakPolarHBondContact NE2-CD1 3.48Å; I531-I539 HydrophobicContact CD1-CG2 4.46Å; I531-I539 HydrophobicContact CG2-CD1 3.69Å; I531-I539 HydrophobicContact CG2-CG1 4.1Å; K534-I539 HydrophobicContact CB-CD1 3.96Å; K534-I539 HydrophobicContact CB-CG1 3.78Å; D535-I539 WeakPolarHBondContact O-CD1 3.39Å; D535-I539 WeakPolarHBondContact O-CG1 3.35Å; D535-I539 PolarHBondContact O-N 2.79Å; D535-I539 VanDerWaalsContact O-N 3.11Å; L537-I539 VanDerWaalsContact C-N 3.26Å; L537-I539 PolarHBondContact O-N 3.34Å; I539-S541 PolarHBondContact O-N 2.83Å; I539-I542 WeakPolarHBondContact O-CA 3.42Å; I539-I542 WeakPolarHBondContact O-CB 3.48Å; I539-I542 PolarHBondContact O-N 2.96Å; I539-F543 HydrophobicContact CG2-CD2 3.63Å; I539-F543 HydrophobicContact CG2-CE2 3.57Å; I539-F543 WeakPolarHBondContact O-CD2 3.23Å; I539-F543 PolarHBondContact O-N 2.95Å
540	S	72.6	Confident	80.2	Confident	42 Å²	42	51.7 Å²	51.7	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-66.8	-17.5	174.4	61.2	0	0	0	0	113.8	H536 L537 P544	H536-S540 VanDerWaalsContact O-CB 3.22Å; H536-S540 WeakPolarHBondContact O-CB 3.27Å; H536-S540 PolarHBondContact O-N 2.87Å; H536-S540 PolarHBondContact O-OG 3.14Å; L537-S540 WeakPolarHBondContact CA-OG 3.07Å; L537-S540 PolarHBondContact O-N 3.08Å; L537-S540 PolarHBondContact O-OG 3.37Å; S540-P544 WeakPolarHBondContact O-CD 3.49Å; S540-P544 WeakPolarHBondContact O-CG 3.32Å
541	S	77.5	Confident	80.4	Confident	75 Å²	75	49.9 Å²	49.9	52%	0.524	28%	0.283	S	S	.	.	H	α-helix	trans	-80.2	-29.5	166	83.4	0	0	0	0	113.2	L537 E538 I539	L537-S541 PolarHBondContact O-N 3.17Å; E538-S541 WeakPolarHBondContact O-CB 3.3Å; E538-S541 PolarHBondContact O-N 3.27Å; E538-S541 VanDerWaalsContact O-N 3.15Å; E538-S541 PolarHBondContact O-OG 2.97Å; I539-S541 PolarHBondContact O-N 2.83Å
542	I	80.2	Confident	80.6	Confident	19 Å²	19	49.9 Å²	49.9	10%	0.097	28%	0.283	C	S	.	.	H	α-helix	trans	-73.3	-48.2	178.2	-69.1	158	0	0	0	110.8	V529 K534 E538 I539 T545 I546	V529-I542 HydrophobicContact CG1-CD1 3.56Å; V529-I542 HydrophobicContact CG1-CG1 4.02Å; V529-I542 HydrophobicContact CG1-CG2 4.2Å; K534-I542 HydrophobicContact CD-CD1 3.66Å; E538-I542 WeakPolarHBondContact O-CD1 3.2Å; E538-I542 WeakPolarHBondContact O-CG1 3.36Å; E538-I542 PolarHBondContact O-N 3.05Å; I539-I542 WeakPolarHBondContact O-CA 3.42Å; I539-I542 WeakPolarHBondContact O-CB 3.48Å; I539-I542 PolarHBondContact O-N 2.96Å; I542-T545 WeakPolarHBondContact O-CA 3.08Å; I542-T545 PolarHBondContact O-N 3.32Å; I542-T545 PolarHBondContact O-OG1 3.33Å; I542-I546 PolarHBondContact O-N 2.88Å
543	F	78.9	Confident	81	Confident	39 Å²	39	49 Å²	49	17%	0.171	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-54.2	-41	-173.3	-92.5	-101.4	0	0	0	115.1	L479 I481 F483 L523 I526 I531 I539 T545 I546	L479-F543 HydrophobicContact CD1-CD1 4.16Å; L479-F543 HydrophobicContact CD1-CE1 3.7Å; I481-F543 HydrophobicContact CD1-CE1 4.36Å; I481-F543 HydrophobicContact CD1-CZ 4.36Å; I481-F543 HydrophobicContact CG1-CE1 4.44Å; F483-F543 HydrophobicContact CD1-CE1 4.41Å; F483-F543 HydrophobicContact CD1-CE2 4Å; F483-F543 AromaticContact CD1-CZ 3.78Å; F483-F543 HydrophobicContact CD1-CZ 3.78Å; F483-F543 HydrophobicContact CE1-CD1 4.45Å; F483-F543 AromaticContact CE1-CD2 3.91Å; F483-F543 HydrophobicContact CE1-CD2 3.91Å; F483-F543 HydrophobicContact CE1-CE1 4.1Å; F483-F543 AromaticContact CE1-CE2 3.52Å; F483-F543 HydrophobicContact CE1-CE2 3.52Å; F483-F543 HydrophobicContact CE1-CG 4.37Å; F483-F543 AromaticContact CE1-CZ 3.62Å; F483-F543 HydrophobicContact CE1-CZ 3.62Å; F483-F543 HydrophobicContact CZ-CD2 4.26Å; F483-F543 HydrophobicContact CZ-CE2 4.1Å; L523-F543 HydrophobicContact CD2-CE2 4.39Å; L523-F543 HydrophobicContact CD2-CZ 4.15Å; I526-F543 HydrophobicContact CD1-CE1 4.38Å; I526-F543 HydrophobicContact CD1-CE2 3.88Å; I526-F543 HydrophobicContact CD1-CZ 3.74Å; I531-F543 HydrophobicContact CD1-CE2 4.29Å; I539-F543 HydrophobicContact CG2-CD2 3.63Å; I539-F543 HydrophobicContact CG2-CE2 3.57Å; I539-F543 WeakPolarHBondContact O-CD2 3.23Å; I539-F543 PolarHBondContact O-N 2.95Å; F543-T545 PolarHBondContact O-N 3.48Å; F543-I546 HydrophobicContact CB-CD1 4.24Å; F543-I546 HydrophobicContact CD1-CD1 3.69Å; F543-I546 HydrophobicContact CD2-CD1 4.33Å; F543-I546 HydrophobicContact CE1-CD1 4.11Å; F543-I546 HydrophobicContact CG-CD1 3.82Å; F543-I546 WeakPolarHBondContact O-CB 3.37Å; F543-I546 WeakPolarHBondContact O-CG1 2.95Å; F543-I546 PolarHBondContact O-N 3.12Å
544	P	77.4	Confident	81.6	Confident	87 Å²	87	45.1 Å²	45.1	57%	0.565	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-67.4	-16.7	173.4	-23.6	35.3	0	0	0	115.3	S540	S540-P544 WeakPolarHBondContact O-CD 3.49Å; S540-P544 WeakPolarHBondContact O-CG 3.32Å
545	T	79.1	Confident	81.8	Confident	108 Å²	108	42.9 Å²	42.9	66%	0.663	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-97.3	-0.3	178.6	68.1	0	0	0	0	113.5	I542 F543	I542-T545 WeakPolarHBondContact O-CA 3.08Å; I542-T545 PolarHBondContact O-N 3.32Å; I542-T545 PolarHBondContact O-OG1 3.33Å; F543-T545 PolarHBondContact O-N 3.48Å
546	I	81.2	Confident	82.2	Confident	26 Å²	26	42.7 Å²	42.7	13%	0.133	24%	0.242	C	C	.	.			trans	-63.1	127.1	179.5	-71	179	0	0	0	110	Y470 I472 L479 I526 I542 F543	Y470-I546 HydrophobicContact CE1-CG2 4.4Å; Y470-I546 HydrophobicContact CE2-CG2 4.11Å; Y470-I546 WeakPolarHBondContact OH-CG2 3.31Å; I472-I546 HydrophobicContact CD1-CG2 4.23Å; L479-I546 HydrophobicContact CD1-CD1 3.93Å; I526-I546 HydrophobicContact CD1-CD1 3.89Å; I526-I546 HydrophobicContact CG2-CD1 3.87Å; I526-I546 HydrophobicContact CG2-CG1 4.02Å; I542-I546 PolarHBondContact O-N 2.88Å; F543-I546 HydrophobicContact CB-CD1 4.24Å; F543-I546 HydrophobicContact CD1-CD1 3.69Å; F543-I546 HydrophobicContact CD2-CD1 4.33Å; F543-I546 HydrophobicContact CE1-CD1 4.11Å; F543-I546 HydrophobicContact CG-CD1 3.82Å; F543-I546 WeakPolarHBondContact O-CB 3.37Å; F543-I546 WeakPolarHBondContact O-CG1 2.95Å; F543-I546 PolarHBondContact O-N 3.12Å
547	P	82.6	Confident	82.4	Confident	68 Å²	68	43.2 Å²	43.2	44%	0.442	24%	0.242	S	C	.	.			trans	-65	153	176.1	27.2	-34.5	0	0	0	111.2	Y470 E549	Y470-P547 VanDerWaalsContact CE2-O 3.29Å; Y470-P547 WeakPolarHBondContact CE2-O 3.21Å; Y470-P547 PolarHBondContact OH-O 3.33Å; P547-E549 WeakPolarHBondContact CG-O 3.21Å; P547-E549 PolarHBondContact O-N 2.97Å; P547-E549 VanDerWaalsContact O-N 3.13Å
548	S	82.4	Confident	82.2	Confident	57 Å²	57	45.8 Å²	45.8	40%	0.399	26%	0.261	S	S	.	.	S	Bend	trans	-59.3	-29.2	-174.4	63.1	0	0	0	0	114	I472 K473	I472-S548 PolarHBondContact N-O 3.43Å; K473-S548 WeakPolarHBondContact CE-OG 3.33Å
549	E	84.1	Confident	80.7	Confident	101 Å²	101	47.8 Å²	47.8	47%	0.472	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.9	169.7	-70.5	160	148.1	0	0	108.8	Y470 D471 K473 P547	Y470-E549 WeakPolarHBondContact O-CA 3.36Å; D471-E549 HydrophobicContact CB-CG 4.08Å; K473-E549 HydrophobicContact CD-CG 4.5Å; K473-E549 WeakPolarHBondContact CE-OE1 3.49Å; K473-E549 VanDerWaalsContact CE-OE2 3.29Å; K473-E549 WeakPolarHBondContact CE-OE2 3.39Å; K473-E549 IonicContact NZ-OE1 2.78Å; K473-E549 PolarHBondContact NZ-OE1 3.32Å; K473-E549 IonicContact NZ-OE2 3.5Å; K473-E549 PolarHBondContact NZ-OE2 3.49Å; P547-E549 WeakPolarHBondContact CG-O 3.21Å; P547-E549 PolarHBondContact O-N 2.97Å; P547-E549 VanDerWaalsContact O-N 3.13Å
550	G	86.9	Confident	78.3	Confident	15 Å²	15	56.7 Å²	56.7	16%	0.155	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	-157.3	179.3	0	0	0	0	0	113	Y469 Y470 N527	Y469-G550 VanDerWaalsContact CA-O 3.31Å; Y469-G550 WeakPolarHBondContact CA-O 2.98Å; Y470-G550 WeakPolarHBondContact CD1-O 3.4Å; Y470-G550 VanDerWaalsContact CZ-CA 3.47Å; Y470-G550 PolarHBondContact N-O 3Å; Y470-G550 PolarHBondContact O-N 3.42Å; Y470-G550 WeakPolarHBondContact OH-CA 3.23Å; N527-G550 WeakPolarHBondContact OD1-CA 3.46Å
551	Y	89.3	Confident	76.2	Confident	22 Å²	22	59 Å²	59	9%	0.086	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.2	179	67.8	-89	0	0	0	114	L451 L467 V468 Y470 E525 N527 N528 I553	L451-Y551 HydrophobicContact CD1-CD1 4.42Å; L451-Y551 HydrophobicContact CD1-CD2 4.43Å; L451-Y551 HydrophobicContact CD1-CE1 4.03Å; L451-Y551 HydrophobicContact CD1-CE2 4.07Å; L451-Y551 HydrophobicContact CD2-CE2 4.44Å; L451-Y551 WeakPolarHBondContact CD2-OH 3.37Å; L467-Y551 HydrophobicContact CD1-CD2 3.61Å; L467-Y551 HydrophobicContact CD1-CE2 4.41Å; L467-Y551 HydrophobicContact CD1-CG 4Å; V468-Y551 CarbonylContact O-C 3.4Å; V468-Y551 VanDerWaalsContact O-CA 3.26Å; V468-Y551 WeakPolarHBondContact O-CA 3.25Å; Y470-Y551 VanDerWaalsContact CE1-N 3.33Å; E525-Y551 PolarHBondContact OE1-OH 2.86Å; N527-Y551 PolarHBondContact N-O 3.32Å; N527-Y551 VanDerWaalsContact N-O 3.08Å; N527-Y551 PolarHBondContact OD1-N 3.02Å; N528-Y551 PolarHBondContact N-OH 3.44Å; N528-Y551 PolarHBondContact ND2-OH 3.37Å; N528-Y551 VanDerWaalsContact ND2-OH 3.09Å; N528-Y551 PolarHBondContact OD1-OH 3.43Å; Y551-I553 HydrophobicContact CD2-CG1 3.98Å; Y551-I553 HydrophobicContact CE2-CD1 4.11Å; Y551-I553 HydrophobicContact CE2-CG1 3.99Å
552	L	89.7	Confident	73.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.1	166.2	-42.8	178.1	0	0	0	108.6	V468 Y470 L479 I481 I511 L517 L523 E525 I526	V468-L552 HydrophobicContact CB-CB 4.38Å; V468-L552 HydrophobicContact CG1-CD1 4.39Å; V468-L552 PolarHBondContact N-O 3.08Å; V468-L552 PolarHBondContact O-N 3.23Å; Y470-L552 HydrophobicContact CD1-CD2 4.12Å; Y470-L552 HydrophobicContact CD1-CG 4.19Å; Y470-L552 HydrophobicContact CE1-CD2 4.15Å; L479-L552 HydrophobicContact CD1-CD2 4.22Å; I481-L552 HydrophobicContact CD1-CD1 4.04Å; I511-L552 HydrophobicContact CD1-CD1 3.62Å; I511-L552 HydrophobicContact CD1-CG 4.46Å; I511-L552 HydrophobicContact CG1-CD1 4.15Å; L517-L552 HydrophobicContact CD1-CD1 3.84Å; L523-L552 HydrophobicContact CD1-CB 4.33Å; E525-L552 CarbonylContact O-C 3.55Å; E525-L552 WeakPolarHBondContact O-CA 3.23Å; I526-L552 HydrophobicContact CB-CD2 4.34Å; I526-L552 HydrophobicContact CD1-CD2 3.65Å; I526-L552 HydrophobicContact CG1-CD2 3.6Å; I526-L552 HydrophobicContact CG2-CD2 4.08Å
553	I	89	Confident	71.1	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.8	163.2	-50.8	-176.5	0	0	0	107.8	L451 L452 L466 L467 L524 E525 Y551	L451-I553 HydrophobicContact CB-CD1 4.35Å; L452-I553 HydrophobicContact CD2-CG2 3.9Å; L466-I553 WeakPolarHBondContact O-CA 3.35Å; L467-I553 HydrophobicContact CD1-CG1 3.92Å; L524-I553 WeakPolarHBondContact CA-O 3.39Å; L524-I553 HydrophobicContact CB-CB 4.49Å; L524-I553 HydrophobicContact CB-CG2 4.45Å; L524-I553 WeakPolarHBondContact CB-O 3.35Å; L524-I553 HydrophobicContact CD1-CG2 4.22Å; L524-I553 PolarHBondContact N-O 3.34Å; E525-I553 HydrophobicContact CB-CB 3.94Å; E525-I553 HydrophobicContact CB-CD1 4Å; E525-I553 HydrophobicContact CB-CG1 4Å; E525-I553 HydrophobicContact CG-CD1 4.44Å; E525-I553 PolarHBondContact N-O 3.12Å; E525-I553 PolarHBondContact O-N 2.98Å; Y551-I553 HydrophobicContact CD2-CG1 3.98Å; Y551-I553 HydrophobicContact CE2-CD1 4.11Å; Y551-I553 HydrophobicContact CE2-CG1 3.99Å
554	C	89	Confident	68.8	Low	0 Å²	0	73.4 Å²	73.4	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	160.4	178.8	-68.2	0	0	0	0	112.3	L465 L466 L517 D521 D522	L465-C554 WeakPolarHBondContact CA-O 3.48Å; L466-C554 HydrophobicContact CB-CB 4.16Å; L466-C554 HydrophobicContact CD1-CB 4.32Å; L466-C554 PolarHBondContact N-O 2.92Å; L466-C554 PolarHBondContact O-N 3.34Å; L517-C554 HydrophobicContact CD2-CB 3.78Å; D521-C554 HydrophobicContact CB-CB 4.46Å; D522-C554 CarbonylContact O-C 3.52Å; D522-C554 WeakPolarHBondContact O-CA 3.48Å; D522-C554 WeakPolarHBondContact O-CB 3.32Å
555	A	86.2	Confident	66.4	Low	0 Å²	0	76.9 Å²	76.9	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.6	170.7	0	0	0	0	0	111.2	F459 V463 E464 L465 D521 D522 L524	F459-A555 HydrophobicContact CE1-CB 4.36Å; F459-A555 HydrophobicContact CZ-CB 4.25Å; V463-A555 HydrophobicContact CG1-CB 3.88Å; E464-A555 CarbonylContact O-C 3.43Å; E464-A555 WeakPolarHBondContact O-CA 3.48Å; L465-A555 HydrophobicContact CD2-CB 4.13Å; D521-A555 CarbonylContact C-O 3.53Å; D521-A555 WeakPolarHBondContact CA-O 3.48Å; D522-A555 HydrophobicContact CB-CB 4.21Å; D522-A555 PolarHBondContact N-O 3.42Å; D522-A555 PolarHBondContact O-N 3.05Å; L524-A555 HydrophobicContact CD1-CB 3.92Å; L524-A555 HydrophobicContact CD2-CB 4.17Å; L524-A555 HydrophobicContact CG-CB 4.2Å
556	R	87.2	Confident	64	Low	52 Å²	52	77.3 Å²	77.3	20%	0.196	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.8	174.8	176.2	-178.4	-64.9	144.9	-1.8	109.4	E464 L466 T516 S518 D521	E464-R556 HydrophobicContact CB-CB 4.24Å; E464-R556 PolarHBondContact N-O 3.08Å; E464-R556 PolarHBondContact O-N 3.43Å; E464-R556 IonicContact OE2-CZ 3.41Å; E464-R556 IonicContact OE2-NH1 2.72Å; E464-R556 PolarHBondContact OE2-NH1 2.73Å; L466-R556 HydrophobicContact CD1-CB 4.36Å; T516-R556 PolarHBondContact O-NH2 2.81Å; S518-R556 PolarHBondContact OG-NH2 3.28Å; D521-R556 VanDerWaalsContact CG-NH2 3.34Å; D521-R556 IonicContact OD1-CZ 2.77Å; D521-R556 IonicContact OD1-NE 3.57Å; D521-R556 PolarHBondContact OD1-NE 2.84Å; D521-R556 IonicContact OD1-NH2 2.76Å; D521-R556 PolarHBondContact OD1-NH2 3.15Å; D521-R556 IonicContact OD2-CZ 3.74Å; D521-R556 IonicContact OD2-NE 3.19Å; D521-R556 IonicContact OD2-NH2 3.39Å; D521-R556 PolarHBondContact OD2-NH2 3.39Å
557	Y	80.6	Confident	61.5	Low	67 Å²	67	85.9 Å²	85.9	26%	0.263	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-77.5	150	178.3	-52.4	-83.1	0	0	0	111.1	F459 V463 I492 D522 N559	F459-Y557 HydrophobicContact CD1-CE1 4.33Å; F459-Y557 HydrophobicContact CE1-CE1 4.16Å; V463-Y557 HydrophobicContact CG1-CD1 4.26Å; V463-Y557 HydrophobicContact CG1-CE1 4.4Å; V463-Y557 HydrophobicContact CG2-CD1 3.84Å; V463-Y557 HydrophobicContact CG2-CE1 4.21Å; I492-Y557 HydrophobicContact CD1-CE1 4.21Å; D522-Y557 HydrophobicContact CB-CE2 4.2Å; D522-Y557 VanDerWaalsContact OD2-CE2 3.26Å; D522-Y557 WeakPolarHBondContact OD2-CE2 3.36Å; D522-Y557 PolarHBondContact OD2-OH 3.05Å; Y557-N559 PolarHBondContact O-N 3.06Å
558	P	71.2	Confident	58.9	Low	84 Å²	84	90.1 Å²	90.1	55%	0.545	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-70.4	124.6	171.6	29.3	-33.6	0	0	0	110.1	D462 E560	D462-P558 HydrophobicContact CB-CG 4.17Å; P558-E560 PolarHBondContact O-N 3.43Å
559	N	48.4	Very low	56.4	Low	142 Å²	142	96.5 Å²	96.5	76%	0.759	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-61.2	120.2	-179.3	-72.4	-16.6	0	0	0	112.1	Y557 S561	Y557-N559 PolarHBondContact O-N 3.06Å; N559-S561 PolarHBondContact O-N 2.82Å; N559-S561 PolarHBondContact O-OG 3.01Å
560	E	31.9	Very low	53.7	Low	187 Å²	187	97.7 Å²	97.7	87%	0.874	51%	0.51	S	S	*	.			trans	-64.4	83.2	161.1	-75.2	-155.8	145.9	0	0	110.4	P558 S562	P558-E560 PolarHBondContact O-N 3.43Å; E560-S562 PolarHBondContact O-N 3.16Å
561	S	27.8	Very low	51.1	Low	91 Å²	91	105.2 Å²	105.2	64%	0.636	54%	0.542	S	S	*	.			trans	-87.1	95.7	-178.9	-57.1	0	0	0	0	109.3	N559	N559-S561 PolarHBondContact O-N 2.82Å; N559-S561 PolarHBondContact O-OG 3.01Å
562	S	25.5	Very low	48.3	Very low	106 Å²	106	110.7 Å²	110.7	74%	0.741	57%	0.572	S	S	*	*	S	Bend	trans	85.5	153.9	175	79.7	0	0	0	0	118.4	E560	E560-S562 PolarHBondContact O-N 3.16Å
563	L	25.5	Very low	45.5	Very low	164 Å²	164	118.4 Å²	118.4	86%	0.859	61%	0.614	S	S	*	*			trans	85	76.6	170.4	-56.4	172.6	0	0	0	119.2
564	I	29.3	Very low	42.7	Very low	165 Å²	165	127.5 Å²	127.5	85%	0.846	66%	0.656	S	S	*	*	S	Bend	trans	-126.1	138.3	139.9	-62.9	-175.3	0	0	0	109.5
565	D	28.1	Very low	40	Very low	160 Å²	160	131.9 Å²	131.9	86%	0.856	69%	0.686	S	S	*	*			trans	-34.4	135.6	-161.7	-76	-29.3	0	0	0	121.1
566	V	28.3	Very low	37.2	Very low	116 Å²	116	136.7 Å²	136.7	70%	0.703	73%	0.727	S	S	*	*			trans	-59.2	135.9	157.2	171.2	0	0	0	0	111.5	E568	V566-E568 HydrophobicContact CG1-CG 3.6Å
567	K	29.5	Very low	34.3	Very low	207 Å²	207	142.7 Å²	142.7	90%	0.9	76%	0.761	S	S	*	*			trans	-122.5	119.3	139	-80.1	-173	175.9	176.4	0	109.1	E569	K567-E569 PolarHBondContact O-N 3.06Å
568	E	27	Very low	31.8	Very low	156 Å²	156	143.5 Å²	143.5	73%	0.729	78%	0.782	S	S	*	*			trans	-70.4	116.9	179.1	-54.1	170.1	121	0	0	109.8	V566	V566-E568 HydrophobicContact CG1-CG 3.6Å
569	E	29.3	Very low	29.7	Very low	192 Å²	192	146.1 Å²	146.1	90%	0.897	79%	0.792	S	S	*	*			trans	-133.3	118.1	130.8	-69.8	-163.9	159.7	0	0	106.4	K567	K567-E569 PolarHBondContact O-N 3.06Å
570	N	28.2	Very low	28.6	Very low	125 Å²	125	146.3 Å²	146.3	67%	0.668	80%	0.797	S	S	*	*			trans	-82.6	170.6	-174.5	-48.5	-61	0	0	0	109.6
571	E	32	Very low	28.3	Very low	174 Å²	174	142 Å²	142	81%	0.813	78%	0.783	S	S	*	*			cis	-144.6	139.1	24.4	-63.8	173.9	137.3	0	0	112.4
572	N	30.2	Very low	28.1	Very low	136 Å²	136	142.9 Å²	142.9	73%	0.727	79%	0.787	S	S	*	*			trans	20.4	130.6	137.4	-45.4	-32.4	0	0	0	121
573	D	32.2	Very low	28.2	Very low	163 Å²	163	147 Å²	147	87%	0.872	79%	0.792	S	S	*	*				-165.5	162.2	103.9	-99.5	-11.6	0	0	0	112.3
574	E	29.3	Very low	28.2	Very low	191 Å²	191	146.7 Å²	146.7	89%	0.893	79%	0.79	S	S	*	*			trans	-88.8	132.6	-159.7	-53.8	-178.4	127.1	0	0	115.5
575	S	31.3	Very low	27.9	Very low	91 Å²	91	150 Å²	150	64%	0.636	79%	0.791	S	S	*	*			trans	-171.6	50.1	152.9	47.8	0	0	0	0	115
576	A	27.6	Very low	27.8	Very low	102 Å²	102	148.8 Å²	148.8	84%	0.843	79%	0.79	S	S	*	*			trans	-139.8	42.8	-175.7	0	0	0	0	0	115.4
577	L	27	Very low	27.9	Very low	177 Å²	177	148.7 Å²	148.7	93%	0.927	79%	0.792	S	S	*	*			trans	-144.2	45.8	179.2	-114.7	170.8	0	0	0	114.5
578	A	28.1	Very low	27.7	Very low	85 Å²	85	143.8 Å²	143.8	70%	0.702	78%	0.784	S	S	*	*			trans	-153.7	136.7	167.3	0	0	0	0	0	108.3
579	N	28	Very low	27.9	Very low	139 Å²	139	143.2 Å²	143.2	74%	0.743	79%	0.786	S	S	*	*			cis	-150.9	128.9	4.8	-107.5	-20.5	0	0	0	110.7	V581	N579-V581 HydrophobicContact CB-CG2 3.93Å; N579-V581 PolarHBondContact O-N 3.18Å
580	V	24.8	Very low	28	Very low	145 Å²	145	141.5 Å²	141.5	88%	0.879	78%	0.783	S	S	*	*			trans	-82.2	104.5	162.6	174.3	0	0	0	0	107.7
581	V	25.7	Very low	28.2	Very low	96 Å²	96	144.7 Å²	144.7	58%	0.582	79%	0.794	S	S	*	*			trans	-136.5	96	-179.7	175.3	0	0	0	0	109.7	N579 F583	N579-V581 HydrophobicContact CB-CG2 3.93Å; N579-V581 PolarHBondContact O-N 3.18Å; V581-F583 HydrophobicContact CG1-CD2 3.73Å; V581-F583 HydrophobicContact CG1-CE2 4.43Å
582	P	23.3	Very low	28.2	Very low	110 Å²	110	143.4 Å²	143.4	71%	0.714	79%	0.791	S	S	*	*			trans	-87.2	119.6	169	32.5	-28.1	0	0	0	109.2
583	F	26.5	Very low	28.4	Very low	193 Å²	193	143 Å²	143	85%	0.846	80%	0.795	S	S	*	*			trans	-134.2	141.5	174.5	-100.7	-81.1	0	0	0	116.3	V581	V581-F583 HydrophobicContact CG1-CD2 3.73Å; V581-F583 HydrophobicContact CG1-CE2 4.43Å
584	I	26.9	Very low	28.3	Very low	157 Å²	157	142 Å²	142	81%	0.805	79%	0.791	S	S	*	*			trans	-91.5	152.5	-172.7	-66.4	160.7	0	0	0	109.9
585	R	21.9	Very low	28.5	Very low	234 Å²	234	139.5 Å²	139.5	88%	0.883	79%	0.788	S	S	*	*			trans	-68.5	125.6	176	177.4	-167.4	-168.2	-175.7	6	112.8
586	T	25.6	Very low	28.4	Very low	136 Å²	136	141.7 Å²	141.7	83%	0.834	79%	0.792	S	S	*	*			trans	-165.4	150.2	144.8	7.9	0	0	0	0	111.6
587	P	30.4	Very low	28.6	Very low	113 Å²	113	147.1 Å²	147.1	73%	0.734	80%	0.797	S	S	*	*			trans	-112.4	149.8	-177.5	39.1	-30.2	0	0	0	114.6
588	S	26.6	Very low	28.6	Very low	105 Å²	105	143.9 Å²	143.9	73%	0.734	79%	0.79	S	S	*	*			trans	-174	140.4	155.2	41.6	0	0	0	0	113.5
589	D	31.3	Very low	28.7	Very low	143 Å²	143	143.8 Å²	143.8	77%	0.765	80%	0.796	S	S	*	*			trans	64.4	104.4	137.9	-48.7	-6.1	0	0	0	122.9
590	D	31.1	Very low	28.8	Very low	156 Å²	156	145.7 Å²	145.7	83%	0.834	80%	0.801	S	S	*	*				76.1	158.7	116.8	-72.9	-20.2	0	0	0	126.4
591	E	32.9	Very low	29.1	Very low	192 Å²	192	147.1 Å²	147.1	90%	0.897	80%	0.802	S	S	*	*			trans	81.8	131.9	166.8	-64.5	-164.9	163.6	0	0	122.3
592	I	32.2	Very low	29.2	Very low	147 Å²	147	147 Å²	147	75%	0.754	81%	0.805	S	S	*	*			trans	-134.1	147.2	178.7	-55.2	164.2	0	0	0	107.5
593	P	32.8	Very low	29.7	Very low	127 Å²	127	148 Å²	148	83%	0.825	81%	0.805	S	S	*	*			trans	-133.2	134.8	142.9	18.2	2.4	0	0	0	114.6
594	N	30.8	Very low	30	Very low	144 Å²	144	145.4 Å²	145.4	77%	0.77	80%	0.799	S	S	*	*			trans	-79.4	159.5	171.9	-71	-17.2	0	0	0	112.6
595	V	33.2	Very low	30.3	Very low	137 Å²	137	143.3 Å²	143.3	83%	0.83	79%	0.79	S	S	*	*			trans	-139.3	127.5	155.6	-177	0	0	0	0	109.7
596	D	28.7	Very low	30.8	Very low	137 Å²	137	139 Å²	139	73%	0.733	78%	0.784	S	S	*	*			trans	-76.4	159.6	179.3	-68.9	-67.9	0	0	0	114.4
597	F	32.1	Very low	31.1	Very low	216 Å²	216	139.7 Å²	139.7	95%	0.947	78%	0.781	S	S	*	*			trans	-141.5	113.7	141.3	-94.7	-73.7	0	0	0	111.5
598	S	27.5	Very low	31.1	Very low	110 Å²	110	138.7 Å²	138.7	77%	0.769	78%	0.777	S	S	*	*			trans	-96.3	142.7	-175.6	60.7	0	0	0	0	113.5
599	G	31.3	Very low	31.5	Very low	82 Å²	82	141.6 Å²	141.6	85%	0.845	78%	0.779	S	S	*	*			trans	-140.1	71.4	-178.7	0	0	0	0	0	114.3
600	Q	28.6	Very low	31.5	Very low	179 Å²	179	139.6 Å²	139.6	84%	0.836	77%	0.772	S	S	*	*			trans	-28.7	141.8	174.5	-61.5	167.8	-16.7	0	0	118.6
601	I	31	Very low	31.5	Very low	175 Å²	175	139 Å²	139	90%	0.897	77%	0.769	S	S	*	*				-151.3	148.3	124.1	-97	150.9	0	0	0	107.6
602	S	27.6	Very low	31.3	Very low	93 Å²	93	135.2 Å²	135.2	65%	0.65	76%	0.764	S	S	*	*			trans	-98.2	173.5	-170.7	51.2	0	0	0	0	111.8
603	D	34	Very low	31.4	Very low	133 Å²	133	131.6 Å²	131.6	71%	0.711	76%	0.763	S	S	*	*				-156.3	154.9	54	-62.3	-38.2	0	0	0	113.2
604	D	32.7	Very low	31.3	Very low	137 Å²	137	132.2 Å²	132.2	73%	0.733	76%	0.758	S	S	*	*			trans	46.3	141.8	136.4	-69.4	17.8	0	0	0	122.7
605	N	34.4	Very low	31.5	Very low	113 Å²	113	133.7 Å²	133.7	60%	0.604	76%	0.757	S	S	*	*			cis	-168.2	150.7	-1	-123.3	-40.3	0	0	0	111.7
606	L	31.9	Very low	31.5	Very low	144 Å²	144	133.1 Å²	133.1	75%	0.754	75%	0.749	S	S	*	*			trans	49.3	140.4	145.8	-68.6	161.4	0	0	0	120.7
607	L	32.2	Very low	31.6	Very low	150 Å²	150	132.7 Å²	132.7	79%	0.785	75%	0.747	S	S	*	*			cis	-156.1	-174.9	31.9	-124.7	166	0	0	0	111.7
608	S	29.8	Very low	31.9	Very low	92 Å²	92	131.3 Å²	131.3	64%	0.643	74%	0.741	S	S	*	*			trans	-142	-172.9	-157.7	54.2	0	0	0	0	116.1
609	E	35.7	Very low	31.9	Very low	167 Å²	167	133.1 Å²	133.1	78%	0.78	74%	0.742	S	S	*	*			trans	98.1	152.6	162.4	-61.1	-179.6	-156.1	0	0	119.4
610	T	30.1	Very low	31.9	Very low	101 Å²	101	137.5 Å²	137.5	62%	0.62	75%	0.745	S	S	*	*				-168.7	168.8	-55.5	37.3	0	0	0	0	111.4
611	N	32.6	Very low	32	Very low	143 Å²	143	133 Å²	133	77%	0.765	74%	0.738	S	S	*	*			trans	81.6	155.5	157.8	-49.8	-52.2	0	0	0	120.2
612	S	28.6	Very low	32.4	Very low	112 Å²	112	130 Å²	130	78%	0.783	73%	0.73	S	S	*	*			cis	-175.7	133.9	-43.9	56.6	0	0	0	0	113.2
613	G	32.9	Very low	32.5	Very low	71 Å²	71	132.3 Å²	132.3	73%	0.732	74%	0.735	S	S	*	*			trans	100.3	172.2	148.1	0	0	0	0	0	120.1
614	I	31.6	Very low	32.3	Very low	141 Å²	141	131.7 Å²	131.7	72%	0.723	73%	0.731	S	S	*	*			cis	-174.4	146.9	-19.1	-123.2	163.9	0	0	0	112
615	K	35.2	Very low	32.1	Very low	174 Å²	174	131.7 Å²	131.7	76%	0.757	73%	0.731	S	S	*	*			trans	65.3	157.1	168	-67.5	157.7	-165.8	165.2	0	117.5
616	N	32.2	Very low	32.1	Very low	125 Å²	125	135.2 Å²	135.2	67%	0.668	74%	0.744	S	S	*	*			cis	-177	175.9	-9.2	-95.7	4.6	0	0	0	106.4
617	N	31.6	Very low	31.9	Very low	128 Å²	128	137.7 Å²	137.7	68%	0.684	75%	0.752	S	S	*	*			cis	-176	168.3	-31.6	-87.6	-2.5	0	0	0	109.1
618	K	37.5	Very low	31.9	Very low	187 Å²	187	134.2 Å²	134.2	81%	0.813	75%	0.752	S	S	*	*			trans	90.7	105.6	156.6	-71.2	169.4	175.8	-178.3	0	122.8
619	N	28.1	Very low	31.9	Very low	148 Å²	148	137.5 Å²	137.5	79%	0.791	76%	0.761	S	S	*	*				42.3	127.1	118	-48.9	14	0	0	0	122.8
620	L	31.8	Very low	31.8	Very low	175 Å²	175	136.5 Å²	136.5	92%	0.916	76%	0.761	S	S	*	*				-165.2	174.5	114.6	-132.4	68.2	0	0	0	112.8
621	A	31.4	Very low	31.8	Very low	84 Å²	84	140.3 Å²	140.3	69%	0.694	77%	0.772	S	S	*	*			trans	-153	-161.4	-175.9	0	0	0	0	0	110.4
622	P	38.2	Very low	31.7	Very low	112 Å²	112	144.4 Å²	144.4	73%	0.727	78%	0.776	S	S	*	*				-124.5	-153	-78.9	40.3	-25.3	0	0	0	113.4
623	L	29.7	Very low	31.6	Very low	142 Å²	142	145.4 Å²	145.4	74%	0.743	78%	0.784	S	S	*	*			trans	108.9	122.9	160.9	-66.6	126.7	0	0	0	120.1
624	N	31	Very low	31.5	Very low	119 Å²	119	145.4 Å²	145.4	64%	0.636	78%	0.784	S	S	*	*			trans	74.5	121.9	135.5	-65.6	12.9	0	0	0	124.8
625	N	28.1	Very low	31.2	Very low	138 Å²	138	143.7 Å²	143.7	74%	0.738	78%	0.784	S	S	*	*			trans	59.9	159	130.3	-44.9	3.8	0	0	0	118.9
626	E	34.2	Very low	31.1	Very low	186 Å²	186	143.6 Å²	143.6	87%	0.869	79%	0.792	S	S	*	*			cis	-133	-165.7	14.7	-75.1	-179.5	158.3	0	0	112.4
627	E	28	Very low	30.9	Very low	197 Å²	197	144 Å²	144	92%	0.921	79%	0.793	S	S	*	*			trans	-80.9	159.4	-167.9	-56.6	173.4	134.9	0	0	115
628	G	31.9	Very low	30.9	Very low	77 Å²	77	145.4 Å²	145.4	79%	0.794	80%	0.8	S	S	*	*			trans	-165.5	101.7	172.3	0	0	0	0	0	112
629	I	30.2	Very low	30.3	Very low	160 Å²	160	143.1 Å²	143.1	82%	0.821	79%	0.792	S	S	*	*			trans	-80.2	129.3	178	-60.3	168.6	0	0	0	109.4
630	D	33	Very low	30.4	Very low	147 Å²	147	139.6 Å²	139.6	79%	0.786	78%	0.779	S	S	*	*			trans	-148.3	119.2	158.4	-136.8	-23.2	0	0	0	110.8
631	Q	29.2	Very low	30.3	Very low	180 Å²	180	138.6 Å²	138.6	84%	0.841	77%	0.77	S	S	*	*			trans	-90.7	108.4	179.7	-68.4	-179.5	3.5	0	0	110
632	R	31.2	Very low	30.5	Very low	229 Å²	229	141.1 Å²	141.1	86%	0.864	76%	0.762	S	S	*	*			trans	-136.5	114.9	162.8	-73.7	-165.5	173.8	-121.3	-7.4	112.8	G634	R632-G634 PolarHBondContact O-N 2.99Å
633	S	26.1	Very low	30.1	Very low	134 Å²	134	140.5 Å²	140.5	94%	0.937	76%	0.759	S	S	*	*			trans	-60.5	126.6	162.4	29.7	0	0	0	0	110.3
634	G	30.2	Very low	30	Very low	71 Å²	71	137.9 Å²	137.9	73%	0.732	75%	0.748	S	S	*	*			trans	-136.9	119.7	174.5	0	0	0	0	0	109	R632	R632-G634 PolarHBondContact O-N 2.99Å
635	S	26.2	Very low	30.1	Very low	105 Å²	105	140.8 Å²	140.8	73%	0.734	75%	0.75	S	S	*	*			trans	-92.4	103	179.4	54.4	0	0	0	0	110.1
636	D	33	Very low	30.1	Very low	172 Å²	172	139.5 Å²	139.5	92%	0.92	74%	0.742	S	S	*	*			trans	-91.7	116.9	165.4	-78.6	-38.3	0	0	0	109.7
637	I	27.7	Very low	30	Very low	134 Å²	134	132 Å²	132	69%	0.687	71%	0.709	S	S	*	*			trans	-97.3	119.8	-179.2	-65.5	165.2	0	0	0	107.3	E639	I637-E639 HydrophobicContact CG2-CG 3.71Å
638	D	31.4	Very low	29.9	Very low	156 Å²	156	127.5 Å²	127.5	83%	0.834	69%	0.694	S	S	*	*			trans	-113	86.7	172.7	-155.2	-4.8	0	0	0	109.7	S640	D638-S640 VanDerWaalsContact C-N 3.33Å; D638-S640 PolarHBondContact O-N 3.47Å
639	E	26.3	Very low	29.8	Very low	140 Å²	140	127.5 Å²	127.5	65%	0.654	68%	0.679	S	S	*	*			trans	-75.6	73.8	-176.8	-84	-169.6	110.9	0	0	112.8	I637 Q641	I637-E639 HydrophobicContact CG2-CG 3.71Å; E639-Q641 PolarHBondContact O-N 3.14Å; E639-Q641 PolarHBondContact OE1-NE2 3.02Å
640	S	29.2	Very low	29.6	Very low	73 Å²	73	125.1 Å²	125.1	51%	0.51	67%	0.672	S	S	.	*			trans	-78.1	65.3	165.7	74.2	0	0	0	0	111.5	D638 Y642	D638-S640 VanDerWaalsContact C-N 3.33Å; D638-S640 PolarHBondContact O-N 3.47Å; S640-Y642 WeakPolarHBondContact O-CD2 3.36Å; S640-Y642 PolarHBondContact O-N 3.36Å; S640-Y642 WeakPolarHBondContact OG-CE2 3.49Å
641	Q	29.4	Very low	29.4	Very low	154 Å²	154	125.7 Å²	125.7	72%	0.72	67%	0.67	S	S	*	*			trans	-69.8	87.6	175.5	-67.6	-168.8	17.2	0	0	111.2	E639 P643	E639-Q641 PolarHBondContact O-N 3.14Å; E639-Q641 PolarHBondContact OE1-NE2 3.02Å; Q641-P643 WeakPolarHBondContact O-CD 3.25Å
642	Y	36.8	Very low	29.2	Very low	137 Å²	137	122.2 Å²	122.2	54%	0.537	67%	0.665	S	S	.	*			trans	-74.4	120	173.2	-63	-73.9	0	0	0	110.7	S640 V644	S640-Y642 WeakPolarHBondContact O-CD2 3.36Å; S640-Y642 PolarHBondContact O-N 3.36Å; S640-Y642 WeakPolarHBondContact OG-CE2 3.49Å; Y642-V644 PolarHBondContact O-N 3.13Å
643	P	28.2	Very low	29	Very low	100 Å²	100	116.2 Å²	116.2	65%	0.649	65%	0.654	S	S	*	*			trans	-78.4	109.1	-168.3	29	-34.9	0	0	0	112.7	Q641 R645	Q641-P643 WeakPolarHBondContact O-CD 3.25Å; P643-R645 PolarHBondContact O-N 2.84Å; P643-R645 VanDerWaalsContact O-N 3.15Å
644	V	28.9	Very low	28.9	Very low	86 Å²	86	117.4 Å²	117.4	52%	0.521	65%	0.649	S	S	.	*			trans	-59.6	114	169.4	-179.4	0	0	0	0	109.8	D148 Y642	D148-V644 WeakPolarHBondContact OD2-CG1 3.21Å; Y642-V644 PolarHBondContact O-N 3.13Å
645	R	33.1	Very low	28.7	Very low	181 Å²	181	122.8 Å²	122.8	68%	0.683	66%	0.655	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.3	100.4	177.5	-74	-179.7	175.6	159	0.4	110.5	T101 P643 L647	T101-R645 PolarHBondContact OG1-O 2.81Å; T101-R645 VanDerWaalsContact OG1-O 3.13Å; P643-R645 PolarHBondContact O-N 2.84Å; P643-R645 VanDerWaalsContact O-N 3.15Å; R645-L647 PolarHBondContact O-N 2.79Å
646	L	28.6	Very low	28.7	Very low	110 Å²	110	123.7 Å²	123.7	58%	0.576	65%	0.652	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.7	125.9	171.2	-159.5	82.1	0	0	0	110.1	F100 T648	F100-L646 HydrophobicContact CD1-CD1 4.16Å; F100-L646 HydrophobicContact CE1-CD1 3.74Å; F100-L646 HydrophobicContact CZ-CD1 4.48Å; L646-T648 PolarHBondContact O-N 3.03Å
647	L	30.6	Very low	28.4	Very low	30 Å²	30	124.4 Å²	124.4	16%	0.157	65%	0.649	C	S	.	*			trans	-90.1	83.1	172.6	-73.6	-177.5	0	0	0	110.2	M81 K85 I99 T101 R645 V649	M81-L647 HydrophobicContact SD-CD1 4.2Å; K85-L647 HydrophobicContact CD-CD2 4.25Å; K85-L647 HydrophobicContact CG-CD1 4.43Å; K85-L647 HydrophobicContact CG-CD2 4.22Å; I99-L647 HydrophobicContact CB-CB 4.45Å; I99-L647 HydrophobicContact CG2-CB 4.26Å; I99-L647 HydrophobicContact CG2-CD1 4.04Å; T101-L647 HydrophobicContact CG2-CD1 3.51Å; T101-L647 HydrophobicContact CG2-CG 3.88Å; R645-L647 PolarHBondContact O-N 2.79Å; L647-V649 VanDerWaalsContact C-N 3.33Å; L647-V649 PolarHBondContact O-N 3.36Å
648	T	27	Very low	28.3	Very low	102 Å²	102	123.4 Å²	123.4	63%	0.626	66%	0.655	S	S	*	*			trans	-70.1	84.1	177.6	-37.3	0	0	0	0	111.4	L646 T650	L646-T648 PolarHBondContact O-N 3.03Å; T648-T650 HydrophobicContact CG2-CG2 3.91Å; T648-T650 PolarHBondContact O-N 2.9Å
649	V	30.3	Very low	28.2	Very low	77 Å²	77	121.1 Å²	121.1	47%	0.467	65%	0.651	S	S	.	*			trans	-82.3	86	169.7	-175	0	0	0	0	108.5	I99 L647 E651	I99-V649 HydrophobicContact CD1-CG2 4.02Å; L647-V649 VanDerWaalsContact C-N 3.33Å; L647-V649 PolarHBondContact O-N 3.36Å; V649-E651 PolarHBondContact O-N 3.49Å
650	T	25.8	Very low	28.1	Very low	109 Å²	109	122.3 Å²	122.3	67%	0.669	66%	0.662	S	S	*	*			trans	-74.9	113	172.9	53.5	0	0	0	0	110.3	T648 S652	T648-T650 HydrophobicContact CG2-CG2 3.91Å; T648-T650 PolarHBondContact O-N 2.9Å; T650-S652 PolarHBondContact O-N 2.99Å
651	E	27.5	Very low	28	Very low	160 Å²	160	124.9 Å²	124.9	75%	0.748	68%	0.68	S	S	*	*			trans	-65.5	95.7	165.4	-68	-169.3	132	0	0	109.7	V649 V653	V649-E651 PolarHBondContact O-N 3.49Å; E651-V653 HydrophobicContact CB-CG2 4.15Å; E651-V653 PolarHBondContact O-N 2.83Å
652	S	25	Very low	27.8	Very low	107 Å²	107	120.8 Å²	120.8	75%	0.748	68%	0.678	S	S	*	*			trans	-76	67.6	174.6	63.6	0	0	0	0	110.7	T650 L654	T650-S652 PolarHBondContact O-N 2.99Å; S652-L654 PolarHBondContact O-N 3.46Å
653	V	27	Very low	27.3	Very low	103 Å²	103	124 Å²	124	62%	0.624	70%	0.695	S	S	*	*			trans	-65.3	115.5	177.5	-178.4	0	0	0	0	109.3	E651 Q655	E651-V653 HydrophobicContact CB-CG2 4.15Å; E651-V653 PolarHBondContact O-N 2.83Å; V653-Q655 VanDerWaalsContact C-N 3.28Å; V653-Q655 HydrophobicContact CG1-CG 4.39Å; V653-Q655 PolarHBondContact O-N 2.92Å
654	L	25.1	Very low	27	Very low	159 Å²	159	129.2 Å²	129.2	83%	0.832	70%	0.702	S	S	*	*			trans	-69.6	77.8	177.2	-83.3	156.7	0	0	0	111.7	S652	S652-L654 PolarHBondContact O-N 3.46Å
655	Q	26.6	Very low	26.8	Very low	183 Å²	183	130.8 Å²	130.8	86%	0.855	71%	0.712	S	S	*	*			trans	-89.7	118.8	157	-70.1	-168.2	-4	0	0	108.9	V653	V653-Q655 VanDerWaalsContact C-N 3.28Å; V653-Q655 HydrophobicContact CG1-CG 4.39Å; V653-Q655 PolarHBondContact O-N 2.92Å
656	N	25.4	Very low	26.6	Very low	125 Å²	125	130.8 Å²	130.8	67%	0.668	72%	0.72	S	S	*	*			trans	-125.7	130.4	-168.7	-143.9	-18.4	0	0	0	109.6
657	Q	26.6	Very low	26.5	Very low	186 Å²	186	132.4 Å²	132.4	87%	0.869	73%	0.729	S	S	*	*			trans	70	139	-179.3	-47.5	175.8	14.6	0	0	114.1
658	S	26.6	Very low	26.5	Very low	114 Å²	114	138 Å²	138	80%	0.797	76%	0.757	S	S	*	*			cis	-149.6	178.3	2.7	67	0	0	0	0	109
659	S	29.1	Very low	26.6	Very low	108 Å²	108	140.7 Å²	140.7	76%	0.755	76%	0.763	S	S	*	*			cis	-150.3	-165.8	14.1	70.9	0	0	0	0	112
660	N	24.2	Very low	26.5	Very low	165 Å²	165	141.5 Å²	141.5	88%	0.882	77%	0.768	S	S	*	*			trans	-93.5	136	-177.1	-67.3	-37.4	0	0	0	113.4
661	S	27.1	Very low	26.8	Very low	127 Å²	127	141.8 Å²	141.8	89%	0.888	77%	0.766	S	S	*	*				-164	153.1	121.7	56.1	0	0	0	0	108.9
662	G	24.7	Very low	26.9	Very low	67 Å²	67	142 Å²	142	69%	0.691	76%	0.764	S	S	*	*			trans	-154	161.9	178.5	0	0	0	0	0	112.1
663	F	26.3	Very low	27	Very low	204 Å²	204	144.6 Å²	144.6	90%	0.895	77%	0.767	S	S	*	*			trans	-151.5	124.8	161.2	-106.8	-77.1	0	0	0	111.4
664	R	22.3	Very low	27.2	Very low	211 Å²	211	146.5 Å²	146.5	80%	0.796	77%	0.772	S	S	*	*			trans	7.9	136	151.9	-76.7	-175.7	162.2	-171.1	-6.8	122.1
665	T	24.6	Very low	27.2	Very low	118 Å²	118	145.1 Å²	145.1	72%	0.724	77%	0.77	S	S	*	*			trans	68.2	158.9	132.4	64.9	0	0	0	0	118.4
666	E	27.4	Very low	27.4	Very low	182 Å²	182	145.3 Å²	145.3	85%	0.85	77%	0.771	S	S	*	*			cis	-128.9	178.9	14	-74.3	179.3	154.4	0	0	113.6
667	D	27	Very low	27.4	Very low	143 Å²	143	146.8 Å²	146.8	77%	0.765	78%	0.779	S	S	*	*			trans	-78	175.1	-173.8	-51.4	-95.3	0	0	0	115.8
668	I	30.6	Very low	27.7	Very low	147 Å²	147	146 Å²	146	75%	0.754	78%	0.779	S	S	*	*				175.3	102	128.4	-90	158.2	0	0	0	107.7
669	Q	29.8	Very low	27.6	Very low	159 Å²	159	149 Å²	149	74%	0.743	78%	0.78	S	S	*	*				65.5	145.4	97.8	-65.4	-170	-98.5	0	0	115.3
670	T	28.8	Very low	27.9	Very low	94 Å²	94	148.9 Å²	148.9	58%	0.577	78%	0.777	S	S	*	*			cis	-158.2	-172.2	-23.9	36.3	0	0	0	0	106
671	D	31.7	Very low	28.1	Very low	115 Å²	115	150.5 Å²	150.5	62%	0.615	78%	0.779	S	S	*	*			cis	-139.9	172.7	12.5	-95.8	-61	0	0	0	108.3
672	K	30	Very low	28.1	Very low	164 Å²	164	151.3 Å²	151.3	71%	0.713	77%	0.772	S	S	*	*			cis	65.2	144.5	47.2	-48.3	-174.8	-174.9	161.5	0	113.7
673	M	26.2	Very low	28.5	Very low	163 Å²	163	155.4 Å²	155.4	80%	0.803	78%	0.778	S	S	*	*			cis	-150.9	176.3	1.6	-141	145.2	173.9	0	0	107.3
674	I	30.7	Very low	28.6	Very low	143 Å²	143	153.5 Å²	153.5	73%	0.733	77%	0.769	S	S	*	*			cis	-143.8	161.9	18.7	-48.4	163.1	0	0	0	108.9	E676	I674-E676 HydrophobicContact CG2-CG 4.47Å
675	T	24.9	Very low	29.1	Very low	130 Å²	130	149.6 Å²	149.6	80%	0.798	76%	0.764	S	S	*	*			trans	-123	139.6	164.3	-20.2	0	0	0	0	109.4
676	E	31	Very low	29.4	Very low	187 Å²	187	150.2 Å²	150.2	87%	0.874	76%	0.763	S	S	*	*			trans	-138	136.2	164.9	-71.9	-163.6	145.5	0	0	111.1	I674	I674-E676 HydrophobicContact CG2-CG 4.47Å
677	D	26.7	Very low	29.4	Very low	155 Å²	155	148 Å²	148	83%	0.829	76%	0.757	S	S	*	*			trans	-93.8	138.8	-178.1	-65.8	-73.6	0	0	0	112.1
678	I	31.3	Very low	29.5	Very low	170 Å²	170	148.1 Å²	148.1	87%	0.872	76%	0.756	S	S	*	*			trans	-135.6	112.5	157	-56.7	-178.1	0	0	0	110
679	Q	26.1	Very low	29.5	Very low	177 Å²	177	148.4 Å²	148.4	83%	0.827	76%	0.756	S	S	*	*			trans	-109.2	-174	154.2	-66.6	-162.7	-12	0	0	108.5
680	P	34.7	Very low	29.2	Very low	106 Å²	106	144.6 Å²	144.6	69%	0.688	75%	0.746	S	S	*	*				-125.2	165.3	-71.5	37.1	-24	0	0	0	110.1
681	E	29.2	Very low	29.3	Very low	198 Å²	198	147.2 Å²	147.2	93%	0.925	76%	0.757	S	S	*	*			trans	-153.2	163.9	150.8	-130	158	-154.3	0	0	115
682	I	26.8	Very low	29	Very low	144 Å²	144	150.6 Å²	150.6	74%	0.738	77%	0.769	S	S	*	*			trans	-106.4	138.1	-174.9	-62.1	159.9	0	0	0	106.9
683	D	32.7	Very low	28.9	Very low	153 Å²	153	152.4 Å²	152.4	82%	0.818	78%	0.777	S	S	*	*			trans	-140.6	152.7	141	-140.4	-17.9	0	0	0	113.1
684	K	28.8	Very low	28.8	Very low	164 Å²	164	150.1 Å²	150.1	71%	0.713	78%	0.777	S	S	*	*			trans	-101.5	161.7	179.2	-62.5	164.3	-176.7	166.5	0	108.2
685	N	31.4	Very low	28.7	Very low	129 Å²	129	150.4 Å²	150.4	69%	0.69	78%	0.779	S	S	*	*				173.7	143.2	112.7	-89.9	-45	0	0	0	112.8
686	N	31.2	Very low	28.6	Very low	131 Å²	131	153.3 Å²	153.3	70%	0.701	78%	0.783	S	S	*	*			trans	69.4	143.4	146.3	-63.1	-12.1	0	0	0	120.2
687	L	27.8	Very low	28.4	Very low	137 Å²	137	148.9 Å²	148.9	72%	0.717	77%	0.773	S	S	*	*			cis	-171.2	166.3	-23.8	-150	66.5	0	0	0	108.5
688	I	29.4	Very low	28.3	Very low	144 Å²	144	147.3 Å²	147.3	74%	0.738	77%	0.769	S	S	*	*			trans	69.5	129.3	160.6	-64	171.3	0	0	0	115.2
689	M	29.9	Very low	28	Very low	153 Å²	153	145.8 Å²	145.8	75%	0.754	77%	0.768	S	S	*	*			cis	-150.7	177.2	-6.6	-128	-177.4	76.1	0	0	112.2
690	S	24.9	Very low	28.1	Very low	79 Å²	79	145.4 Å²	145.4	55%	0.552	77%	0.769	S	S	*	*			trans	-74.5	160.3	174.3	59.7	0	0	0	0	113.4
691	D	29.7	Very low	27.6	Very low	149 Å²	149	144.8 Å²	144.8	80%	0.797	77%	0.767	S	S	*	*				-157.7	147.6	99.8	-101.3	7.2	0	0	0	113.4
692	Q	25.4	Very low	27.7	Very low	187 Å²	187	140.4 Å²	140.4	87%	0.874	76%	0.759	S	S	*	*			trans	-98.4	136.3	178.9	-65.4	175.2	-39.2	0	0	110.1
693	K	28.2	Very low	27.9	Very low	201 Å²	201	139.2 Å²	139.2	87%	0.874	76%	0.76	S	S	*	*			trans	-155	109.2	149.5	-119.4	164	-171.7	170.6	0	112.1
694	S	23.6	Very low	27.8	Very low	115 Å²	115	140 Å²	140	80%	0.804	76%	0.759	S	S	*	*			trans	-73.3	131.4	164.2	40.7	0	0	0	0	109.9
695	I	29.6	Very low	28	Very low	150 Å²	150	139.7 Å²	139.7	77%	0.769	75%	0.754	S	S	*	*			trans	-132.4	116.3	158.8	-62.5	-178.2	0	0	0	106
696	E	22.5	Very low	28	Very low	190 Å²	190	137 Å²	137	89%	0.888	74%	0.738	S	S	*	*			trans	-86.3	121.9	172.5	-65.8	178	117.1	0	0	109.6
697	S	27.3	Very low	28.1	Very low	95 Å²	95	135 Å²	135	66%	0.664	73%	0.733	S	S	*	*			trans	-154.2	79.4	163.6	59.2	0	0	0	0	109.1
698	T	24.7	Very low	28.1	Very low	121 Å²	121	134.1 Å²	134.1	74%	0.742	73%	0.727	S	S	*	*				74	124.4	92.3	53.5	0	0	0	0	115.5
699	V	24.8	Very low	28.4	Very low	139 Å²	139	130.8 Å²	130.8	84%	0.842	72%	0.72	S	S	*	*			trans	72.6	122.4	146	172.1	0	0	0	0	114.9
700	I	27.5	Very low	28.7	Very low	168 Å²	168	126 Å²	126	86%	0.862	70%	0.7	S	S	*	*			cis	-133.5	161.3	23.9	-59.5	173	0	0	0	111.4
701	S	25.4	Very low	29.3	Very low	93 Å²	93	128.2 Å²	128.2	65%	0.65	70%	0.699	S	S	*	*			trans	-118	138.5	-175.7	57.8	0	0	0	0	116.8
702	S	30	Very low	29.6	Very low	106 Å²	106	126.1 Å²	126.1	74%	0.741	69%	0.687	S	S	*	*			trans	72.2	174.2	149.5	92.4	0	0	0	0	116.9
703	P	32.1	Very low	30.2	Very low	119 Å²	119	121 Å²	121	77%	0.773	67%	0.669	S	S	*	*			cis	-118.4	159.6	30.8	40.6	-29.3	0	0	0	117.3
704	Q	30.7	Very low	30.6	Very low	171 Å²	171	116.8 Å²	116.8	80%	0.799	65%	0.65	S	S	*	*			trans	-70.6	152.3	175.1	-65.7	145.9	-49.5	0	0	112.9	L706	Q704-L706 PolarHBondContact O-N 3.28Å
705	R	32.3	Very low	31.1	Very low	157 Å²	157	115.1 Å²	115.1	59%	0.592	64%	0.639	S	S	*	*			trans	-73	89.8	-178	-145.2	-179.7	-161.4	-159.8	5.4	110.6	L76 K174 L175	L76-R705 VanDerWaalsContact CD1-NH1 3.29Å; K174-R705 PolarHBondContact O-NH2 2.77Å; L175-R705 PolarHBondContact O-NH1 3.36Å
706	L	30.8	Very low	31.3	Very low	71 Å²	71	115.7 Å²	115.7	37%	0.372	64%	0.64	S	S	.	*			trans	-64.7	147.8	180	-71.5	165.1	0	0	0	113.2	Q704 V710 K714	Q704-L706 PolarHBondContact O-N 3.28Å; L706-V710 HydrophobicContact CB-CB 4.33Å; L706-V710 HydrophobicContact CD1-CG1 4.01Å; L706-V710 HydrophobicContact CD2-CG1 4.31Å; L706-K714 HydrophobicContact CD1-CD 4.11Å
707	P	33.1	Very low	31.9	Very low	90 Å²	90	113.2 Å²	113.2	58%	0.584	63%	0.628	S	S	*	*			trans	-65.2	154.6	174.9	28.3	-34.7	0	0	0	112	A709 V710	P707-A709 VanDerWaalsContact C-N 3.32Å; P707-A709 PolarHBondContact O-N 3.08Å; P707-A709 VanDerWaalsContact O-N 3.12Å; P707-V710 HydrophobicContact CG-CG2 4.14Å; P707-V710 PolarHBondContact O-N 2.82Å
708	M	28.8	Very low	32	Very low	119 Å²	119	117.3 Å²	117.3	59%	0.586	63%	0.634	S	S	*	*	H	α-helix	trans	-54.2	-40.4	-161.6	-152.6	-177.6	-62.1	0	0	114.4	L175 V710 K711	L175-M708 HydrophobicContact CD1-CE 4.35Å; M708-V710 VanDerWaalsContact C-N 3.3Å; M708-V710 PolarHBondContact O-N 3.27Å; M708-K711 PolarHBondContact O-N 2.83Å
709	A	34.3	Very low	32.2	Very low	73 Å²	73	118.8 Å²	118.8	60%	0.603	64%	0.637	S	S	*	*	H	α-helix	trans	-58.7	-36.5	178.2	0	0	0	0	0	113.7	P707	P707-A709 VanDerWaalsContact C-N 3.32Å; P707-A709 PolarHBondContact O-N 3.08Å; P707-A709 VanDerWaalsContact O-N 3.12Å
710	V	37	Very low	32.4	Very low	53 Å²	53	117.7 Å²	117.7	32%	0.321	63%	0.633	S	S	.	*	H	α-helix	trans	-79.2	-22.5	-175.8	-171.1	0	0	0	0	111.8	L706 P707 M708 K714	L706-V710 HydrophobicContact CB-CB 4.33Å; L706-V710 HydrophobicContact CD1-CG1 4.01Å; L706-V710 HydrophobicContact CD2-CG1 4.31Å; P707-V710 HydrophobicContact CG-CG2 4.14Å; P707-V710 PolarHBondContact O-N 2.82Å; M708-V710 VanDerWaalsContact C-N 3.3Å; M708-V710 PolarHBondContact O-N 3.27Å; V710-K714 HydrophobicContact CG1-CD 4.35Å; V710-K714 PolarHBondContact O-N 2.95Å
711	K	37.7	Very low	32.2	Very low	126 Å²	126	117.5 Å²	117.5	55%	0.548	63%	0.632	S	S	.	*	H	α-helix	trans	-66.7	-42.5	172.7	-82.3	-168.6	171.6	-171.3	0	111.8	M708 K714 S715	M708-K711 PolarHBondContact O-N 2.83Å; K711-K714 PolarHBondContact O-N 2.82Å; K711-S715 PolarHBondContact O-N 3.14Å; K711-S715 VanDerWaalsContact O-N 3.14Å; K711-S715 PolarHBondContact O-OG 2.85Å; K711-S715 VanDerWaalsContact O-OG 3.11Å
712	L	35.7	Very low	32.4	Very low	104 Å²	104	121.7 Å²	121.7	55%	0.545	64%	0.641	S	S	.	*	H	α-helix	trans	-65.1	-41.6	-179.8	-71	169.4	0	0	0	112.1	S715 M716	L712-S715 WeakPolarHBondContact CA-OG 3.35Å; L712-S715 PolarHBondContact O-N 3.38Å; L712-S715 PolarHBondContact O-OG 3.31Å; L712-M716 PolarHBondContact O-N 3.01Å
713	V	38	Very low	32.1	Very low	79 Å²	79	122.1 Å²	122.1	48%	0.479	64%	0.64	S	S	.	*	H	α-helix	trans	-61.9	-48.7	174.7	178.8	0	0	0	0	110.9	S715 M716 E717	V713-S715 PolarHBondContact O-N 3.18Å; V713-M716 PolarHBondContact O-N 3.41Å; V713-E717 HydrophobicContact CG1-CG 4.29Å; V713-E717 PolarHBondContact O-N 3.29Å; V713-E717 VanDerWaalsContact O-N 3.13Å
714	K	35.9	Very low	31.9	Very low	113 Å²	113	123.5 Å²	123.5	49%	0.491	65%	0.646	S	S	.	*	H	α-helix	trans	-69.5	-12.8	-178.4	-74.1	-172.7	173.4	-175.8	0	115.3	L706 V710 K711	L706-K714 HydrophobicContact CD1-CD 4.11Å; V710-K714 HydrophobicContact CG1-CD 4.35Å; V710-K714 PolarHBondContact O-N 2.95Å; K711-K714 PolarHBondContact O-N 2.82Å
715	S	34.5	Very low	31.6	Very low	80 Å²	80	120.3 Å²	120.3	56%	0.559	64%	0.643	S	S	*	*	H	α-helix	trans	-80.8	-27.4	165.6	36.4	0	0	0	0	113.4	K711 L712 V713	K711-S715 PolarHBondContact O-N 3.14Å; K711-S715 VanDerWaalsContact O-N 3.14Å; K711-S715 PolarHBondContact O-OG 2.85Å; K711-S715 VanDerWaalsContact O-OG 3.11Å; L712-S715 WeakPolarHBondContact CA-OG 3.35Å; L712-S715 PolarHBondContact O-N 3.38Å; L712-S715 PolarHBondContact O-OG 3.31Å; V713-S715 PolarHBondContact O-N 3.18Å
716	M	34.6	Very low	31.4	Very low	163 Å²	163	119 Å²	119	80%	0.803	65%	0.654	S	S	*	*	H	α-helix	trans	-86.4	-21.8	179	-60	-175.4	91.1	0	0	112.8	L712 V713 K718	L712-M716 PolarHBondContact O-N 3.01Å; V713-M716 PolarHBondContact O-N 3.41Å; M716-K718 PolarHBondContact O-N 3.45Å
717	E	34.7	Very low	31.1	Very low	137 Å²	137	124.6 Å²	124.6	64%	0.64	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	8.8	176.2	-67	178.5	134.6	0	0	114.7	V713	V713-E717 HydrophobicContact CG1-CG 4.29Å; V713-E717 PolarHBondContact O-N 3.29Å; V713-E717 VanDerWaalsContact O-N 3.13Å
718	K	29.4	Very low	30.8	Very low	181 Å²	181	127 Å²	127	79%	0.787	69%	0.689	S	S	*	*			trans	-118.5	55.7	-176.3	-76.6	-167.3	172.3	-172.4	0	114.3	M716	M716-K718 PolarHBondContact O-N 3.45Å
719	L	29.2	Very low	30.4	Very low	152 Å²	152	125.4 Å²	125.4	80%	0.796	69%	0.689	S	S	*	*	S	Bend	trans	-121.4	136.8	161.5	-85.2	163.6	0	0	0	110.1	L721	L719-L721 PolarHBondContact O-N 3.29Å
720	P	29.4	Very low	29.8	Very low	116 Å²	116	127 Å²	127	75%	0.753	70%	0.696	S	S	*	*			trans	-70.5	121.4	-170.6	-20.2	33.4	0	0	0	113.7	H722	P720-H722 PolarHBondContact O-N 3.13Å; P720-H722 VanDerWaalsContact O-N 3.11Å
721	L	23.5	Very low	29.2	Very low	164 Å²	164	131.3 Å²	131.3	86%	0.859	72%	0.717	S	S	*	*			trans	-71.5	96.7	163.4	-86.6	161.2	0	0	0	110.1	L719	L719-L721 PolarHBondContact O-N 3.29Å
722	H	29.7	Very low	28.4	Very low	181 Å²	181	132.1 Å²	132.1	84%	0.838	73%	0.725	S	S	*	*			trans	-112.4	108.5	157	-96.1	-67.4	0	0	0	111.3	P720	P720-H722 PolarHBondContact O-N 3.13Å; P720-H722 VanDerWaalsContact O-N 3.11Å
723	T	23.2	Very low	27.9	Very low	115 Å²	115	132.3 Å²	132.3	71%	0.706	74%	0.736	S	S	*	*			trans	-78.1	137.4	175.7	43.6	0	0	0	0	111.3
724	T	27	Very low	27.1	Very low	149 Å²	149	136.7 Å²	136.7	91%	0.914	75%	0.751	S	S	*	*				-171.1	141.7	127	15.6	0	0	0	0	111
725	S	25.2	Very low	26.6	Very low	103 Å²	103	138 Å²	138	72%	0.72	76%	0.763	S	S	*	*			trans	-111	166.7	168.4	67.6	0	0	0	0	109
726	P	27.4	Very low	26	Very low	129 Å²	129	140.1 Å²	140.1	84%	0.838	77%	0.768	S	S	*	*				-145.3	-178.6	90.3	36.7	-18.7	0	0	0	115.2
727	K	24.3	Very low	25.5	Very low	190 Å²	190	138.9 Å²	138.9	83%	0.826	77%	0.765	S	S	*	*			trans	-94.3	145.1	-170.7	-55.4	163.9	-179.4	172.8	0	113.3
728	V	26.4	Very low	25	Very low	140 Å²	140	136.9 Å²	136.9	85%	0.848	77%	0.766	S	S	*	*			trans	-145.3	119.9	145.3	-176.1	0	0	0	0	106.1
729	S	22.3	Very low	24.8	Very low	86 Å²	86	134.7 Å²	134.7	60%	0.601	76%	0.763	S	S	*	*			cis	98.4	114.4	13.9	87	0	0	0	0	116.6
730	S	21.7	Very low	24.6	Very low	107 Å²	107	135 Å²	135	75%	0.748	76%	0.76	S	S	*	*			trans	67.1	159.6	165	75.2	0	0	0	0	116.5
731	L	23.3	Very low	24.4	Very low	143 Å²	143	136.6 Å²	136.6	75%	0.749	76%	0.762	S	S	*	*			cis	-134.7	137.8	7.7	-71.9	162.2	0	0	0	109.3
732	I	21.7	Very low	24.5	Very low	142 Å²	142	136.3 Å²	136.3	73%	0.728	76%	0.762	S	S	*	*				57.4	102.6	87.6	-51.6	176.7	0	0	0	116.6
733	S	23.8	Very low	24.1	Very low	109 Å²	109	135.1 Å²	135.1	76%	0.762	76%	0.761	S	S	*	*			trans	179.3	102.7	137.6	57.7	0	0	0	0	109.1
734	E	22.4	Very low	24.1	Very low	171 Å²	171	135.8 Å²	135.8	80%	0.799	76%	0.758	S	S	*	*				52.8	96.6	86.2	-66.3	-166.8	168.2	0	0	115.6
735	N	24.2	Very low	23.9	Very low	139 Å²	139	136.9 Å²	136.9	74%	0.743	75%	0.753	S	S	*	*				-173.6	113.7	115.1	-104.7	-74.8	0	0	0	114.6
736	N	23.2	Very low	23.7	Very low	126 Å²	126	136.3 Å²	136.3	67%	0.674	75%	0.749	S	S	*	*				42.7	128.3	128	-67.5	-49.1	0	0	0	123.1
737	N	24.1	Very low	23.5	Very low	137 Å²	137	138 Å²	138	73%	0.733	75%	0.751	S	S	*	*			trans	82.1	92.9	135.9	-63.8	-15.6	0	0	0	121.7
738	S	24.3	Very low	23.4	Very low	95 Å²	95	134.6 Å²	134.6	66%	0.664	74%	0.738	S	S	*	*				113.9	147.2	97.7	73.3	0	0	0	0	119.7
739	N	25.2	Very low	23.3	Very low	134 Å²	134	136 Å²	136	72%	0.717	74%	0.739	S	S	*	*			trans	75.1	98.1	156.4	-58.1	-26.4	0	0	0	120
740	H	24.2	Very low	23.3	Very low	158 Å²	158	135.4 Å²	135.4	73%	0.731	73%	0.728	S	S	*	*				44.1	106.7	119.2	-71	-72.6	0	0	0	118.6
741	N	26.1	Very low	23.5	Very low	151 Å²	151	137.1 Å²	137.1	81%	0.807	73%	0.729	S	S	*	*				-173.6	133.7	82.3	-85.9	-48.6	0	0	0	111.1	L743	N741-L743 PolarHBondContact O-N 3.06Å
742	D	25	Very low	23.5	Very low	158 Å²	158	137.8 Å²	137.8	85%	0.845	73%	0.729	S	S	*	*			trans	-76	115.7	178.4	-59.3	-69.4	0	0	0	111.8
743	L	21.9	Very low	23.8	Very low	156 Å²	156	137.1 Å²	137.1	82%	0.817	73%	0.726	S	S	*	*			trans	-168	151.1	162.1	-107.6	166.8	0	0	0	110.2	N741	N741-L743 PolarHBondContact O-N 3.06Å
744	I	22.5	Very low	24.1	Very low	129 Å²	129	139.6 Å²	139.6	66%	0.662	73%	0.731	S	S	*	*			trans	80.3	125.2	152.4	-68.5	159.9	0	0	0	119.3
745	Q	22.8	Very low	24.9	Very low	171 Å²	171	136.5 Å²	136.5	80%	0.799	72%	0.72	S	S	*	*			trans	73.2	118.4	151.3	-85.3	162.6	-31.4	0	0	123.3
746	S	21.5	Very low	25.7	Very low	91 Å²	91	133.6 Å²	133.6	64%	0.636	71%	0.705	S	S	*	*			trans	32	134.9	130.6	57.8	0	0	0	0	121.4
747	N	22.9	Very low	27.3	Very low	166 Å²	166	132.3 Å²	132.3	89%	0.888	70%	0.698	S	S	*	*			trans	-138.1	145.4	131.6	-92.2	-59.2	0	0	0	109.9
748	E	22.6	Very low	29.2	Very low	117 Å²	117	129.5 Å²	129.5	55%	0.547	69%	0.685	S	S	.	*			trans	-87	163.5	-167.8	-52.9	155.1	126.8	0	0	112	I750	E748-I750 HydrophobicContact CB-CD1 4.46Å; E748-I750 HydrophobicContact CB-CG1 4.03Å
749	I	24.2	Very low	31.1	Very low	170 Å²	170	127.4 Å²	127.4	87%	0.872	67%	0.666	S	S	*	*			trans	-119.9	91.1	150.2	-60.2	-178.8	0	0	0	106.6
750	I	22.2	Very low	33	Very low	73 Å²	73	124.6 Å²	124.6	37%	0.374	65%	0.654	S	S	.	*			trans	-79.7	122.8	170.6	-66.1	168.8	0	0	0	108.7	E748 Q752	E748-I750 HydrophobicContact CB-CD1 4.46Å; E748-I750 HydrophobicContact CB-CG1 4.03Å; I750-Q752 HydrophobicContact CG2-CG 4Å
751	N	25.4	Very low	35	Very low	144 Å²	144	117 Å²	117	77%	0.77	62%	0.619	S	S	*	*			trans	-159.6	88.7	150.8	-80.8	-42.9	0	0	0	104.4
752	Q	23.7	Very low	36.8	Very low	157 Å²	157	115.2 Å²	115.2	73%	0.734	60%	0.604	S	S	*	*				39.9	96.1	83.2	-74.6	-172.9	-15.4	0	0	112.3	I750	I750-Q752 HydrophobicContact CG2-CG 4Å
753	N	28.6	Very low	38.7	Very low	127 Å²	127	107.7 Å²	107.7	68%	0.679	56%	0.564	S	S	*	*			trans	175.8	107.4	152.4	-93.8	-6.3	0	0	0	106.2	D755 N756	N753-D755 VanDerWaalsContact C-N 3.33Å; N753-D755 PolarHBondContact O-N 3.16Å; N753-N756 PolarHBondContact O-ND2 3.01Å
754	D	29.3	Very low	40.6	Very low	162 Å²	162	102.3 Å²	102.3	87%	0.866	54%	0.535	S	S	*	.			trans	-86.7	4.4	-167.2	-63.5	-53.3	0	0	0	114.6	N756	D754-N756 VanDerWaalsContact C-N 3.34Å; D754-N756 PolarHBondContact O-N 3.02Å; D754-N756 VanDerWaalsContact O-N 3.13Å
755	D	38.4	Very low	42.5	Very low	106 Å²	106	96.1 Å²	96.1	57%	0.567	50%	0.504	S	S	*	.			trans	-86.4	48.5	-177.3	-63	-43.4	0	0	0	114.1	N753	N753-D755 VanDerWaalsContact C-N 3.33Å; N753-D755 PolarHBondContact O-N 3.16Å
756	N	42.7	Very low	44.1	Very low	78 Å²	78	93.4 Å²	93.4	42%	0.417	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	81.5	-174.2	-66.9	-68.2	0	0	0	113.7	N753 D754 V758 Y1099	N753-N756 PolarHBondContact O-ND2 3.01Å; D754-N756 VanDerWaalsContact C-N 3.34Å; D754-N756 PolarHBondContact O-N 3.02Å; D754-N756 VanDerWaalsContact O-N 3.13Å; N756-V758 PolarHBondContact O-N 3.04Å; N756-Y1099 HydrophobicContact CB-CE2 4.03Å; N756-Y1099 VanDerWaalsContact OD1-CE2 3.23Å; N756-Y1099 WeakPolarHBondContact OD1-CE2 3.41Å; N756-Y1099 PolarHBondContact OD1-OH 3.49Å
757	D	56.6	Low	45.6	Very low	99 Å²	99	91 Å²	91	53%	0.529	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	96.6	170.4	-86.5	-8.5	0	0	0	111.5	R832	D757-R832 IonicContact OD2-NH1 2.73Å
758	V	63.2	Low	47	Very low	77 Å²	77	84.1 Å²	84.1	47%	0.467	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	99.4	167.3	178.1	0	0	0	0	109.3	N756 L841 I1098 Y1099	N756-V758 PolarHBondContact O-N 3.04Å; V758-L841 HydrophobicContact CB-CD1 4.47Å; V758-L841 HydrophobicContact CG1-CD1 3.77Å; V758-L841 HydrophobicContact CG2-CD1 3.97Å; V758-I1098 CarbonylContact C-O 3.51Å; V758-I1098 WeakPolarHBondContact CA-O 3.42Å; V758-Y1099 HydrophobicContact CG2-CD2 4.35Å
759	L	64.2	Low	49	Very low	51 Å²	51	80.5 Å²	80.5	27%	0.267	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116.6	-173	-165.2	117.8	0	0	0	111.2	V761 R832 I1098	L759-V761 HydrophobicContact CD2-CG2 3.58Å; L759-R832 HydrophobicContact CD1-CB 3.84Å; L759-R832 HydrophobicContact CD2-CB 4.03Å; L759-R832 WeakPolarHBondContact CD2-O 3.36Å; L759-I1098 HydrophobicContact CB-CB 4.46Å; L759-I1098 HydrophobicContact CD2-CD1 4.17Å; L759-I1098 PolarHBondContact N-O 2.65Å; L759-I1098 PolarHBondContact O-N 2.9Å
760	T	65.7	Low	51	Low	75 Å²	75	74.5 Å²	74.5	46%	0.46	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.8	-178.1	-57.7	0	0	0	0	110.9	T1095 I1096	T760-T1095 HydrophobicContact CG2-CG2 3.5Å; T760-T1095 VanDerWaalsContact CG2-CG2 3.5Å; T760-I1096 WeakPolarHBondContact CA-O 3.5Å
761	V	64.8	Low	53.5	Low	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.9	-177.6	175.9	0	0	0	0	110.9	L759 V763 L799 T1095 I1096 I1098	L759-V761 HydrophobicContact CD2-CG2 3.58Å; V761-V763 HydrophobicContact CG1-CG2 4.05Å; V761-L799 HydrophobicContact CG1-CD1 3.28Å; V761-T1095 WeakPolarHBondContact O-CA 3.4Å; V761-I1096 PolarHBondContact N-O 3.23Å; V761-I1096 PolarHBondContact O-N 3.3Å; V761-I1098 HydrophobicContact CB-CD1 4.27Å; V761-I1098 HydrophobicContact CG2-CD1 3.58Å
762	K	65.3	Low	55.9	Low	113 Å²	113	64.8 Å²	64.8	49%	0.491	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119	172.4	-70.7	-177.9	167.4	-160.1	0	110.4	Q1093 F1094	K762-Q1093 HydrophobicContact CB-CG 4.16Å; K762-Q1093 HydrophobicContact CD-CG 4.49Å; K762-F1094 CarbonylContact C-O 3.54Å; K762-F1094 WeakPolarHBondContact CA-O 3.49Å
763	V	65.2	Low	58.6	Low	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132	-178.3	-174.5	0	0	0	0	109.8	V761 L771 P795 V796 L799 Q1093 F1094 I1096	V761-V763 HydrophobicContact CG1-CG2 4.05Å; V763-L771 HydrophobicContact CB-CD2 4.2Å; V763-L771 HydrophobicContact CG1-CD2 3.86Å; V763-P795 HydrophobicContact CG1-CB 3.33Å; V763-V796 HydrophobicContact CG1-CG2 4.24Å; V763-V796 HydrophobicContact CG2-CG2 3.87Å; V763-L799 HydrophobicContact CG2-CD1 4.14Å; V763-Q1093 CarbonylContact O-C 3.57Å; V763-Q1093 WeakPolarHBondContact O-CA 3.18Å; V763-F1094 PolarHBondContact N-O 2.88Å; V763-F1094 PolarHBondContact O-N 3.49Å; V763-I1096 HydrophobicContact CG2-CD1 3.48Å; V763-I1096 VanDerWaalsContact CG2-CD1 3.48Å; V763-I1096 HydrophobicContact CG2-CG1 4.18Å
764	L	61.4	Low	61.1	Low	42 Å²	42	55.1 Å²	55.1	22%	0.22	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.3	168.8	-81	154.3	0	0	0	110.1	W802 E1092 Q1093	L764-W802 HydrophobicContact CD1-CH2 3.62Å; L764-W802 HydrophobicContact CD1-CZ2 4.06Å; L764-E1092 WeakPolarHBondContact CA-O 3.19Å; L764-Q1093 HydrophobicContact CD2-CB 3.99Å; L764-Q1093 HydrophobicContact CG-CB 4.45Å
765	K	62	Low	63.7	Low	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	160.1	173.3	76.7	166	-168.7	56.5	0	111.6	E769 L771 P795 L863 I864 Y1091 E1092 F1094	K765-E769 HydrophobicContact CB-CB 4.32Å; K765-E769 VanDerWaalsContact CD-O 3.29Å; K765-E769 WeakPolarHBondContact CD-O 3.43Å; K765-L771 HydrophobicContact CD-CD2 4.28Å; K765-P795 HydrophobicContact CB-CB 3.97Å; K765-P795 HydrophobicContact CB-CG 3.64Å; K765-L863 WeakPolarHBondContact CE-O 3.32Å; K765-I864 PolarHBondContact NZ-O 3.3Å; K765-Y1091 WeakPolarHBondContact O-CA 3.48Å; K765-E1092 HydrophobicContact CG-CB 4.44Å; K765-E1092 PolarHBondContact N-O 3.12Å; K765-E1092 IonicContact NZ-OE2 3.71Å; K765-E1092 PolarHBondContact NZ-OE2 2.69Å; K765-E1092 PolarHBondContact O-N 3.48Å; K765-F1094 HydrophobicContact CD-CD2 4.06Å; K765-F1094 HydrophobicContact CD-CE2 3.75Å; K765-F1094 HydrophobicContact CG-CD2 3.82Å; K765-F1094 HydrophobicContact CG-CE2 3.62Å
766	K	57.1	Low	65.7	Low	114 Å²	114	45.6 Å²	45.6	50%	0.496	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	157.5	163.7	-62.1	175.3	-178.7	177.1	0	110.2	G768 E769 Y1091	K766-G768 PolarHBondContact O-N 2.71Å; K766-E769 HydrophobicContact CB-CB 4.14Å; K766-E769 PolarHBondContact N-OE2 3.11Å; K766-E769 VanDerWaalsContact O-CB 3.3Å; K766-E769 WeakPolarHBondContact O-CB 3.41Å; K766-E769 PolarHBondContact O-N 2.75Å; K766-Y1091 HydrophobicContact CG-CD1 4.07Å; K766-Y1091 HydrophobicContact CG-CE1 3.82Å
767	A	52.1	Low	67.2	Low	40 Å²	40	48.8 Å²	48.8	33%	0.331	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	135.1	164.6	0	0	0	0	0	110.1	G127 E769	G127-A767 CarbonylContact O-C 3.55Å; A767-E769 PolarHBondContact O-N 3.24Å
768	G	52.9	Low	68.1	Low	21 Å²	21	49.5 Å²	49.5	22%	0.216	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-7.1	-178.9	0	0	0	0	0	116.3	G127 K766	G127-G768 WeakPolarHBondContact O-CA 3.39Å; G127-G768 PolarHBondContact O-N 2.75Å; K766-G768 PolarHBondContact O-N 2.71Å
769	E	63.5	Low	68.6	Low	42 Å²	42	49.8 Å²	49.8	20%	0.196	27%	0.265	C	S	.	.			trans	-80.8	148	177.3	-166.3	172.2	-153.7	0	0	111.5	K765 K766 A767 P795 R798	K765-E769 HydrophobicContact CB-CB 4.32Å; K765-E769 VanDerWaalsContact CD-O 3.29Å; K765-E769 WeakPolarHBondContact CD-O 3.43Å; K766-E769 HydrophobicContact CB-CB 4.14Å; K766-E769 PolarHBondContact N-OE2 3.11Å; K766-E769 VanDerWaalsContact O-CB 3.3Å; K766-E769 WeakPolarHBondContact O-CB 3.41Å; K766-E769 PolarHBondContact O-N 2.75Å; A767-E769 PolarHBondContact O-N 3.24Å; E769-P795 VanDerWaalsContact CD-CG 3.46Å; E769-P795 HydrophobicContact CG-CG 3.67Å; E769-R798 VanDerWaalsContact CD-NH2 3.25Å; E769-R798 IonicContact OE1-CZ 2.72Å; E769-R798 VanDerWaalsContact OE1-CZ 3.25Å; E769-R798 IonicContact OE1-NH1 2.88Å; E769-R798 PolarHBondContact OE1-NH1 3.34Å; E769-R798 IonicContact OE1-NH2 2.7Å; E769-R798 PolarHBondContact OE1-NH2 2.8Å; E769-R798 IonicContact OE2-CZ 3.48Å; E769-R798 IonicContact OE2-NH2 2.64Å; E769-R798 PolarHBondContact OE2-NH2 2.81Å
770	I	68	Low	68.8	Low	44 Å²	44	47.8 Å²	47.8	23%	0.226	26%	0.257	C	S	.	.			trans	-100.2	133.8	177.3	-49.5	-164.9	0	0	0	109	R172 G772 P795 I864	R172-I770 VanDerWaalsContact NH1-CD1 3.31Å; I770-G772 PolarHBondContact O-N 2.76Å; I770-P795 WeakPolarHBondContact O-CD 3.36Å; I770-I864 HydrophobicContact CD1-CD1 3.6Å; I770-I864 HydrophobicContact CD1-CG1 4.42Å; I770-I864 HydrophobicContact CG1-CD1 3.65Å; I770-I864 HydrophobicContact CG1-CG1 3.96Å
771	L	72.8	Confident	69.3	Low	9 Å²	9	47.3 Å²	47.3	5%	0.047	25%	0.252	C	S	.	.			trans	-52.5	-26.6	-178.9	-66.2	172.3	0	0	0	114.4	V763 K765 L773 S794 P795 V796 V843 L860	V763-L771 HydrophobicContact CB-CD2 4.2Å; V763-L771 HydrophobicContact CG1-CD2 3.86Å; K765-L771 HydrophobicContact CD-CD2 4.28Å; L771-L773 HydrophobicContact CB-CD1 4.18Å; L771-L773 HydrophobicContact CB-CG 4.22Å; L771-L773 HydrophobicContact CD1-CD1 4.16Å; L771-S794 PolarHBondContact O-OG 3.07Å; L771-P795 HydrophobicContact CD2-CB 4.46Å; L771-V796 HydrophobicContact CB-CG2 4.23Å; L771-V796 VanDerWaalsContact O-CB 3.32Å; L771-V796 WeakPolarHBondContact O-CB 3.42Å; L771-V796 WeakPolarHBondContact O-CG2 3.39Å; L771-V796 PolarHBondContact O-N 3.35Å; L771-V843 HydrophobicContact CD1-CG1 3.75Å; L771-L860 HydrophobicContact CD1-CD2 4.41Å
772	G	76.4	Confident	69.8	Low	4 Å²	4	54.4 Å²	54.4	4%	0.041	29%	0.285	C	S	.	.			trans	84.8	21.3	179	0	0	0	0	0	114.8	I770 I790 T791	I770-G772 PolarHBondContact O-N 2.76Å; G772-I790 CarbonylContact O-C 3.58Å; G772-I790 VanDerWaalsContact O-CA 3.29Å; G772-I790 WeakPolarHBondContact O-CA 3.11Å; G772-T791 PolarHBondContact O-N 3.14Å; G772-T791 PolarHBondContact O-OG1 2.93Å
773	L	81	Confident	69.9	Low	11 Å²	11	54 Å²	54	6%	0.058	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	113.8	175.3	-58.4	166.3	0	0	0	109.3	L771 L787 V796 I840 V843 L860 I1096	L771-L773 HydrophobicContact CB-CD1 4.18Å; L771-L773 HydrophobicContact CB-CG 4.22Å; L771-L773 HydrophobicContact CD1-CD1 4.16Å; L773-L787 HydrophobicContact CB-CD1 4.15Å; L773-L787 HydrophobicContact CD2-CD1 4Å; L773-L787 HydrophobicContact CD2-CD2 4.29Å; L773-V796 HydrophobicContact CD2-CB 4.38Å; L773-V796 HydrophobicContact CD2-CG1 4.06Å; L773-V796 HydrophobicContact CD2-CG2 3.91Å; L773-V796 HydrophobicContact CG-CG2 4.15Å; L773-I840 HydrophobicContact CB-CD1 4.26Å; L773-I840 HydrophobicContact CD1-CD1 3.92Å; L773-I840 HydrophobicContact CD2-CD1 3.89Å; L773-I840 HydrophobicContact CG-CD1 4.24Å; L773-V843 HydrophobicContact CD1-CG2 4.36Å; L773-L860 HydrophobicContact CB-CD1 4.32Å; L773-L860 HydrophobicContact CD1-CD2 4.01Å; L773-I1096 HydrophobicContact CD1-CD1 3.9Å; L773-I1096 HydrophobicContact CD2-CD1 4.39Å
774	E	81.5	Confident	70.7	Confident	69 Å²	69	54 Å²	54	32%	0.322	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.6	169.4	-74.9	-167.4	-158	0	0	110.8	L787 A788 H789	E774-L787 WeakPolarHBondContact O-CD1 3.16Å; E774-A788 WeakPolarHBondContact O-CA 3.26Å; E774-A788 WeakPolarHBondContact O-CB 3.23Å; E774-A788 PolarHBondContact O-N 3.36Å; E774-H789 PolarHBondContact N-O 2.72Å; E774-H789 PolarHBondContact O-N 3.2Å; E774-H789 IonicContact OE1-CE1 2.76Å; E774-H789 PolarHBondContact OE1-CE1 3.46Å; E774-H789 IonicContact OE1-ND1 3.08Å; E774-H789 IonicContact OE2-CE1 3.16Å; E774-H789 PolarHBondContact OE2-CE1 3.48Å; E774-H789 IonicContact OE2-ND1 2.65Å; E774-H789 PolarHBondContact OE2-ND1 2.96Å
775	L	83.6	Confident	71.7	Confident	12 Å²	12	52.1 Å²	52.1	6%	0.063	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	150.6	179.8	-57.6	179.2	0	0	0	111.4	I785 I840 F848 A856 L857 L860	L775-I785 HydrophobicContact CB-CG2 3.83Å; L775-I785 HydrophobicContact CD1-CB 4.49Å; L775-I785 HydrophobicContact CD1-CD1 4.02Å; L775-I785 HydrophobicContact CD1-CG2 4.14Å; L775-I785 HydrophobicContact CD2-CB 4.27Å; L775-I785 HydrophobicContact CD2-CG2 4.04Å; L775-I785 HydrophobicContact CG-CG2 4.21Å; L775-I840 HydrophobicContact CD2-CD1 3.91Å; L775-I840 HydrophobicContact CD2-CG1 4.46Å; L775-F848 HydrophobicContact CD1-CD2 4.24Å; L775-F848 HydrophobicContact CD1-CE2 4.03Å; L775-A856 HydrophobicContact CD1-CB 3.45Å; L775-A856 VanDerWaalsContact CD1-CB 3.45Å; L775-L857 HydrophobicContact CB-CD2 4.45Å; L775-L857 HydrophobicContact CD1-CD2 4.39Å; L775-L857 HydrophobicContact CD1-CG 4.36Å; L775-L857 HydrophobicContact CG-CD2 4.4Å; L775-L860 HydrophobicContact CD1-CD1 3.89Å; L775-L860 HydrophobicContact CD2-CD1 4.48Å; L775-L860 HydrophobicContact CG-CD1 4Å
776	E	79.8	Confident	72.7	Confident	56 Å²	56	54.9 Å²	54.9	26%	0.262	28%	0.282	S	S	.	.			trans	-60.9	153.2	162.3	-74.2	-174.7	-154.1	0	0	110.7	E778 K786 A788 A853	E776-E778 PolarHBondContact O-N 3.09Å; E776-K786 HydrophobicContact CB-CB 4.3Å; E776-K786 HydrophobicContact CG-CB 4.04Å; E776-K786 HydrophobicContact CG-CD 4.38Å; E776-K786 PolarHBondContact N-O 3.43Å; E776-K786 WeakPolarHBondContact OE1-CD 3.44Å; E776-K786 WeakPolarHBondContact OE2-CD 3.39Å; E776-K786 IonicContact OE2-NZ 3.52Å; E776-K786 PolarHBondContact OE2-NZ 3.34Å; E776-A788 HydrophobicContact CG-CB 3.79Å; E776-A853 WeakPolarHBondContact O-CB 3.46Å
777	L	74.6	Confident	73.9	Confident	145 Å²	145	49.5 Å²	49.5	76%	0.759	26%	0.259	S	S	*	.	S	Bend	trans	-75.1	-7.6	179.7	-67.1	173.4	0	0	0	113.3
778	E	74.2	Confident	75.4	Confident	115 Å²	115	49.7 Å²	49.7	54%	0.537	26%	0.261	S	S	.	.	S	Bend	trans	-70.1	138.6	173	-60.7	-173.7	164.3	0	0	110.6	E776 K786	E776-E778 PolarHBondContact O-N 3.09Å; E778-K786 IonicContact OE1-NZ 3.72Å; E778-K786 IonicContact OE2-NZ 2.68Å; E778-K786 PolarHBondContact OE2-NZ 3.15Å
779	S	74.3	Confident	76.7	Confident	82 Å²	82	52.2 Å²	52.2	57%	0.573	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-61.2	142.4	170.1	-65.6	0	0	0	0	110.4	S852	S779-S852 WeakPolarHBondContact OG-CA 3.46Å
780	G	68.3	Low	77.5	Confident	10 Å²	10	51.1 Å²	51.1	10%	0.103	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-64.1	147.5	175.6	0	0	0	0	0	111.3	G784 N850 M851	G780-G784 WeakPolarHBondContact CA-O 3.5Å; G780-N850 VanDerWaalsContact O-CA 3.24Å; G780-N850 WeakPolarHBondContact O-CA 3.44Å; G780-M851 PolarHBondContact N-O 3.2Å
781	D	76.7	Confident	77.9	Confident	64 Å²	64	49.7 Å²	49.7	34%	0.342	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-100.1	-165.8	168.8	60.4	36	0	0	0	109.7	R783 G784 R839 Q849 N850	D781-R783 PolarHBondContact O-N 3.02Å; D781-R783 VanDerWaalsContact O-N 3.11Å; D781-R783 WeakPolarHBondContact OD1-CA 3.21Å; D781-R783 WeakPolarHBondContact OD1-CB 3.25Å; D781-R783 PolarHBondContact OD1-N 3.47Å; D781-G784 PolarHBondContact N-O 3.5Å; D781-G784 PolarHBondContact O-N 2.88Å; D781-R839 IonicContact OD1-CZ 3.9Å; D781-R839 IonicContact OD1-NH1 2.7Å; D781-R839 PolarHBondContact OD1-NH1 3.13Å; D781-R839 IonicContact OD1-NH2 3.36Å; D781-R839 IonicContact OD2-CZ 3.77Å; D781-R839 VanDerWaalsContact OD2-CZ 3.27Å; D781-R839 IonicContact OD2-NH1 3.07Å; D781-R839 PolarHBondContact OD2-NH1 2.91Å; D781-R839 IonicContact OD2-NH2 3.57Å; D781-R839 PolarHBondContact OD2-NH2 3.18Å; D781-Q849 CarbonylContact O-C 3.59Å; D781-Q849 VanDerWaalsContact O-CA 3.26Å; D781-Q849 WeakPolarHBondContact O-CA 3.48Å; D781-N850 VanDerWaalsContact C-OD1 3.24Å; D781-N850 PolarHBondContact O-N 3.26Å
782	E	74.6	Confident	78	Confident	149 Å²	149	53.6 Å²	53.6	70%	0.696	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.1	179.2	-60.7	175.2	162.9	0	0	113.6	Q849 N850	E782-Q849 WeakPolarHBondContact O-CG 3.26Å; E782-Q849 PolarHBondContact O-NE2 2.92Å; E782-N850 PolarHBondContact N-OD1 3.08Å
783	R	68.9	Low	77.7	Confident	106 Å²	106	55.4 Å²	55.4	40%	0.4	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	10.6	177.6	-52.9	178.4	-178.2	-155	11.5	112.5	D781 R839 Y1099 N1101	D781-R783 PolarHBondContact O-N 3.02Å; D781-R783 VanDerWaalsContact O-N 3.11Å; D781-R783 WeakPolarHBondContact OD1-CA 3.21Å; D781-R783 WeakPolarHBondContact OD1-CB 3.25Å; D781-R783 PolarHBondContact OD1-N 3.47Å; R783-R839 WeakPolarHBondContact O-CB 3.47Å; R783-Y1099 HydrophobicContact CB-CD1 4.06Å; R783-Y1099 HydrophobicContact CB-CE1 4.17Å; R783-Y1099 HydrophobicContact CG-CE1 4.23Å; R783-Y1099 PolarHBondContact NH1-OH 3.32Å; R783-N1101 PolarHBondContact NH1-OD1 3.19Å
784	G	81.1	Confident	77.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	88.9	-167.9	177.4	0	0	0	0	0	114.4	G780 D781 R839 I840	G780-G784 WeakPolarHBondContact CA-O 3.5Å; D781-G784 PolarHBondContact N-O 3.5Å; D781-G784 PolarHBondContact O-N 2.88Å; G784-R839 PolarHBondContact O-NH1 3.43Å; G784-I840 VanDerWaalsContact CA-O 3.23Å; G784-I840 WeakPolarHBondContact CA-O 3.47Å
785	I	82.5	Confident	77	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.2	-175.9	-56.6	163.6	0	0	0	109.7	L775 I840 F848 A856	L775-I785 HydrophobicContact CB-CG2 3.83Å; L775-I785 HydrophobicContact CD1-CB 4.49Å; L775-I785 HydrophobicContact CD1-CD1 4.02Å; L775-I785 HydrophobicContact CD1-CG2 4.14Å; L775-I785 HydrophobicContact CD2-CB 4.27Å; L775-I785 HydrophobicContact CD2-CG2 4.04Å; L775-I785 HydrophobicContact CG-CG2 4.21Å; I785-I840 PolarHBondContact N-O 3.12Å; I785-I840 VanDerWaalsContact N-O 3.08Å; I785-I840 PolarHBondContact O-N 3.4Å; I785-F848 HydrophobicContact CD1-CB 4.07Å; I785-F848 HydrophobicContact CD1-CD2 4.05Å; I785-F848 HydrophobicContact CD1-CG 4.34Å; I785-F848 HydrophobicContact CG1-CB 4.34Å; I785-A856 HydrophobicContact CD1-CB 3.16Å
786	K	82.8	Confident	76.6	Confident	58 Å²	58	51.2 Å²	51.2	25%	0.252	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	141.3	176.5	-56.8	159.2	177.7	168.4	0	111.6	E776 E778 R839	E776-K786 HydrophobicContact CB-CB 4.3Å; E776-K786 HydrophobicContact CG-CB 4.04Å; E776-K786 HydrophobicContact CG-CD 4.38Å; E776-K786 PolarHBondContact N-O 3.43Å; E776-K786 WeakPolarHBondContact OE1-CD 3.44Å; E776-K786 WeakPolarHBondContact OE2-CD 3.39Å; E776-K786 IonicContact OE2-NZ 3.52Å; E776-K786 PolarHBondContact OE2-NZ 3.34Å; E778-K786 IonicContact OE1-NZ 3.72Å; E778-K786 IonicContact OE2-NZ 2.68Å; E778-K786 PolarHBondContact OE2-NZ 3.15Å; K786-R839 HydrophobicContact CG-CG 4Å
787	L	82.6	Confident	76.6	Confident	1 Å²	1	49 Å²	49	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	109.1	173.2	-179.1	57.2	0	0	0	109.1	L773 E774 H789 I790 P834 A836 G837 D838 I840	L773-L787 HydrophobicContact CB-CD1 4.15Å; L773-L787 HydrophobicContact CD2-CD1 4Å; L773-L787 HydrophobicContact CD2-CD2 4.29Å; E774-L787 WeakPolarHBondContact O-CD1 3.16Å; L787-H789 VanDerWaalsContact CD1-O 3.23Å; L787-H789 WeakPolarHBondContact CD1-O 3.43Å; L787-I790 HydrophobicContact CD1-CG1 4.26Å; L787-I790 HydrophobicContact CD2-CD1 3.98Å; L787-I790 HydrophobicContact CD2-CG1 3.8Å; L787-I790 HydrophobicContact CG-CG1 4.29Å; L787-P834 HydrophobicContact CD2-CB 3.77Å; L787-A836 CarbonylContact O-C 3.58Å; L787-A836 WeakPolarHBondContact O-CA 3.24Å; L787-G837 PolarHBondContact O-N 3.16Å; L787-D838 VanDerWaalsContact CB-O 3.28Å; L787-D838 WeakPolarHBondContact CB-O 3.44Å; L787-D838 PolarHBondContact N-O 2.87Å; L787-I840 HydrophobicContact CB-CD1 4.48Å; L787-I840 HydrophobicContact CB-CG1 4.44Å; L787-I840 HydrophobicContact CD1-CD1 4.23Å
788	A	82.6	Confident	76.5	Confident	44 Å²	44	45.9 Å²	45.9	36%	0.364	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-48.1	178.1	0	0	0	0	0	111.3	E774 E776 A836	E774-A788 WeakPolarHBondContact O-CA 3.26Å; E774-A788 WeakPolarHBondContact O-CB 3.23Å; E774-A788 PolarHBondContact O-N 3.36Å; E776-A788 HydrophobicContact CG-CB 3.79Å; A788-A836 WeakPolarHBondContact O-CB 3.44Å
789	H	81.8	Confident	76.4	Confident	74 Å²	74	40.7 Å²	40.7	34%	0.343	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	168.8	171.1	96.9	-88.5	0	0	0	112.8	E774 L787	E774-H789 PolarHBondContact N-O 2.72Å; E774-H789 PolarHBondContact O-N 3.2Å; E774-H789 IonicContact OE1-CE1 2.76Å; E774-H789 PolarHBondContact OE1-CE1 3.46Å; E774-H789 IonicContact OE1-ND1 3.08Å; E774-H789 IonicContact OE2-CE1 3.16Å; E774-H789 PolarHBondContact OE2-CE1 3.48Å; E774-H789 IonicContact OE2-ND1 2.65Å; E774-H789 PolarHBondContact OE2-ND1 2.96Å; L787-H789 VanDerWaalsContact CD1-O 3.23Å; L787-H789 WeakPolarHBondContact CD1-O 3.43Å
790	I	79.5	Confident	76.1	Confident	19 Å²	19	41.1 Å²	41.1	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.8	171	-64.2	164	0	0	0	108.5	G772 L787 P792 V796 D797 P834	G772-I790 CarbonylContact O-C 3.58Å; G772-I790 VanDerWaalsContact O-CA 3.29Å; G772-I790 WeakPolarHBondContact O-CA 3.11Å; L787-I790 HydrophobicContact CD1-CG1 4.26Å; L787-I790 HydrophobicContact CD2-CD1 3.98Å; L787-I790 HydrophobicContact CD2-CG1 3.8Å; L787-I790 HydrophobicContact CG-CG1 4.29Å; I790-P792 WeakPolarHBondContact O-CD 3.48Å; I790-V796 HydrophobicContact CD1-CG1 3.93Å; I790-V796 HydrophobicContact CG1-CG1 4.28Å; I790-V796 HydrophobicContact CG2-CB 4.27Å; I790-V796 HydrophobicContact CG2-CG1 4.06Å; I790-D797 HydrophobicContact CG2-CB 3.91Å; I790-P834 HydrophobicContact CD1-CB 4.09Å; I790-P834 HydrophobicContact CD1-CG 4.02Å; I790-P834 WeakPolarHBondContact CD1-O 3.42Å
791	T	75.4	Confident	75.8	Confident	14 Å²	14	46.4 Å²	46.4	9%	0.086	23%	0.233	C	C	.	.			trans	-65.9	125.4	179	-38.7	0	0	0	0	110.2	N184 G772 S794	N184-T791 HydrophobicContact CB-CG2 4.08Å; G772-T791 PolarHBondContact O-N 3.14Å; G772-T791 PolarHBondContact O-OG1 2.93Å; T791-S794 WeakPolarHBondContact O-CB 3.24Å; T791-S794 PolarHBondContact O-N 3.17Å; T791-S794 PolarHBondContact O-OG 3.41Å
792	P	76.1	Confident	74.8	Confident	91 Å²	91	49.5 Å²	49.5	59%	0.591	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	146.9	178.8	-28.3	36.6	0	0	0	114	N184 I790 S794 D797	N184-P792 PolarHBondContact ND2-O 3.02Å; I790-P792 WeakPolarHBondContact O-CD 3.48Å; P792-S794 PolarHBondContact O-N 3.47Å; P792-S794 VanDerWaalsContact O-N 3.13Å; P792-D797 WeakPolarHBondContact CA-OD2 3.43Å
793	G	69.2	Low	73.5	Confident	41 Å²	41	43.9 Å²	43.9	42%	0.423	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	-7.9	-179.4	0	0	0	0	0	115.9	D797 R798	G793-D797 PolarHBondContact N-OD2 2.97Å; G793-R798 PolarHBondContact O-NH1 2.79Å
794	S	74	Confident	72.2	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.007	23%	0.225	C	C	.	.	S	Bend	trans	-65.1	165	178.7	68.1	0	0	0	0	113.6	L771 T791 P792 V796 D797 R798	L771-S794 PolarHBondContact O-OG 3.07Å; T791-S794 WeakPolarHBondContact O-CB 3.24Å; T791-S794 PolarHBondContact O-N 3.17Å; T791-S794 PolarHBondContact O-OG 3.41Å; P792-S794 PolarHBondContact O-N 3.47Å; P792-S794 VanDerWaalsContact O-N 3.13Å; S794-V796 PolarHBondContact O-N 3.1Å; S794-D797 PolarHBondContact O-N 3.43Å; S794-D797 VanDerWaalsContact O-N 3.09Å; S794-D797 WeakPolarHBondContact OG-CB 3.5Å; S794-D797 PolarHBondContact OG-N 3.04Å; S794-R798 WeakPolarHBondContact O-CG 3.26Å; S794-R798 PolarHBondContact O-N 3.41Å
795	P	73.8	Confident	70.2	Confident	3 Å²	3	53 Å²	53	2%	0.019	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-39.6	174.1	-28.4	35.9	0	0	0	114.5	V763 K765 E769 I770 L771	V763-P795 HydrophobicContact CG1-CB 3.33Å; K765-P795 HydrophobicContact CB-CB 3.97Å; K765-P795 HydrophobicContact CB-CG 3.64Å; E769-P795 VanDerWaalsContact CD-CG 3.46Å; E769-P795 HydrophobicContact CG-CG 3.67Å; I770-P795 WeakPolarHBondContact O-CD 3.36Å; L771-P795 HydrophobicContact CD2-CB 4.46Å
796	V	76.5	Confident	68	Low	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-40.4	177.5	174.2	0	0	0	0	111.3	V763 L771 L773 I790 S794 R798 L799 P834 I1096	V763-V796 HydrophobicContact CG1-CG2 4.24Å; V763-V796 HydrophobicContact CG2-CG2 3.87Å; L771-V796 HydrophobicContact CB-CG2 4.23Å; L771-V796 VanDerWaalsContact O-CB 3.32Å; L771-V796 WeakPolarHBondContact O-CB 3.42Å; L771-V796 WeakPolarHBondContact O-CG2 3.39Å; L771-V796 PolarHBondContact O-N 3.35Å; L773-V796 HydrophobicContact CD2-CB 4.38Å; L773-V796 HydrophobicContact CD2-CG1 4.06Å; L773-V796 HydrophobicContact CD2-CG2 3.91Å; L773-V796 HydrophobicContact CG-CG2 4.15Å; I790-V796 HydrophobicContact CD1-CG1 3.93Å; I790-V796 HydrophobicContact CG1-CG1 4.28Å; I790-V796 HydrophobicContact CG2-CB 4.27Å; I790-V796 HydrophobicContact CG2-CG1 4.06Å; S794-V796 PolarHBondContact O-N 3.1Å; V796-R798 VanDerWaalsContact C-N 3.3Å; V796-R798 PolarHBondContact O-N 2.71Å; V796-L799 WeakPolarHBondContact O-CB 3.24Å; V796-L799 PolarHBondContact O-N 2.68Å; V796-P834 HydrophobicContact CG1-CG 3.51Å; V796-I1096 HydrophobicContact CG2-CD1 3.71Å
797	D	79	Confident	65.7	Low	9 Å²	9	61.4 Å²	61.4	5%	0.048	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-37.1	176.4	-168	63.1	0	0	0	112.3	I790 P792 G793 S794 L799 K800	I790-D797 HydrophobicContact CG2-CB 3.91Å; P792-D797 WeakPolarHBondContact CA-OD2 3.43Å; G793-D797 PolarHBondContact N-OD2 2.97Å; S794-D797 PolarHBondContact O-N 3.43Å; S794-D797 VanDerWaalsContact O-N 3.09Å; S794-D797 WeakPolarHBondContact OG-CB 3.5Å; S794-D797 PolarHBondContact OG-N 3.04Å; D797-L799 PolarHBondContact O-N 3.12Å; D797-L799 VanDerWaalsContact O-N 3.12Å; D797-K800 VanDerWaalsContact O-CB 3.31Å; D797-K800 WeakPolarHBondContact O-CB 3.4Å; D797-K800 VanDerWaalsContact O-CG 3.3Å; D797-K800 WeakPolarHBondContact O-CG 3.33Å; D797-K800 PolarHBondContact O-N 3.31Å; D797-K800 WeakPolarHBondContact OD1-CD 3.27Å; D797-K800 VanDerWaalsContact OD1-CE 3.25Å; D797-K800 WeakPolarHBondContact OD1-CE 3.37Å; D797-K800 IonicContact OD1-NZ 3.86Å; D797-K800 PolarHBondContact OD1-NZ 3.09Å
798	R	73.6	Confident	63	Low	81 Å²	81	67 Å²	67	31%	0.306	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.1	178.9	-74.5	-169.7	-57.3	-103.3	14.6	114.4	E769 G793 S794 V796 K800 Y801	E769-R798 VanDerWaalsContact CD-NH2 3.25Å; E769-R798 IonicContact OE1-CZ 2.72Å; E769-R798 VanDerWaalsContact OE1-CZ 3.25Å; E769-R798 IonicContact OE1-NH1 2.88Å; E769-R798 PolarHBondContact OE1-NH1 3.34Å; E769-R798 IonicContact OE1-NH2 2.7Å; E769-R798 PolarHBondContact OE1-NH2 2.8Å; E769-R798 IonicContact OE2-CZ 3.48Å; E769-R798 IonicContact OE2-NH2 2.64Å; E769-R798 PolarHBondContact OE2-NH2 2.81Å; G793-R798 PolarHBondContact O-NH1 2.79Å; S794-R798 WeakPolarHBondContact O-CG 3.26Å; S794-R798 PolarHBondContact O-N 3.41Å; V796-R798 VanDerWaalsContact C-N 3.3Å; V796-R798 PolarHBondContact O-N 2.71Å; R798-K800 PolarHBondContact O-N 2.78Å; R798-Y801 PolarHBondContact O-N 2.91Å
799	L	70.7	Confident	60.4	Low	6 Å²	6	73.3 Å²	73.3	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-64.3	-20.5	173.5	-64.4	176	0	0	0	113.1	V761 V763 V796 D797 Y801 W802 N803 I833	V761-L799 HydrophobicContact CG1-CD1 3.28Å; V763-L799 HydrophobicContact CG2-CD1 4.14Å; V796-L799 WeakPolarHBondContact O-CB 3.24Å; V796-L799 PolarHBondContact O-N 2.68Å; D797-L799 PolarHBondContact O-N 3.12Å; D797-L799 VanDerWaalsContact O-N 3.12Å; L799-Y801 VanDerWaalsContact C-N 3.29Å; L799-Y801 PolarHBondContact O-N 2.92Å; L799-W802 HydrophobicContact CD2-CD2 4.29Å; L799-W802 HydrophobicContact CD2-CE3 4.09Å; L799-W802 PolarHBondContact O-N 2.81Å; L799-N803 PolarHBondContact O-N 2.95Å; L799-I833 HydrophobicContact CB-CG1 3.98Å; L799-I833 HydrophobicContact CB-CG2 4.23Å
800	K	69.4	Low	57.6	Low	91 Å²	91	73.8 Å²	73.8	40%	0.396	37%	0.37	S	S	.	.	H	α-helix	trans	-58.3	-43.7	174.1	-67.7	172	179.6	169.8	0	111.4	D797 R798 I833	D797-K800 VanDerWaalsContact O-CB 3.31Å; D797-K800 WeakPolarHBondContact O-CB 3.4Å; D797-K800 VanDerWaalsContact O-CG 3.3Å; D797-K800 WeakPolarHBondContact O-CG 3.33Å; D797-K800 PolarHBondContact O-N 3.31Å; D797-K800 WeakPolarHBondContact OD1-CD 3.27Å; D797-K800 VanDerWaalsContact OD1-CE 3.25Å; D797-K800 WeakPolarHBondContact OD1-CE 3.37Å; D797-K800 IonicContact OD1-NZ 3.86Å; D797-K800 PolarHBondContact OD1-NZ 3.09Å; R798-K800 PolarHBondContact O-N 2.78Å; K800-I833 HydrophobicContact CG-CD1 4.17Å; K800-I833 HydrophobicContact CG-CG1 4.16Å; K800-I833 HydrophobicContact CG-CG2 4.26Å
801	Y	61.1	Low	55.3	Low	120 Å²	120	79 Å²	79	47%	0.471	40%	0.397	S	S	.	.	H	α-helix	trans	-72.3	-35.1	178.1	-49.9	-71.3	0	0	0	111.9	R798 L799 N803 Q804 Y805	R798-Y801 PolarHBondContact O-N 2.91Å; L799-Y801 VanDerWaalsContact C-N 3.29Å; L799-Y801 PolarHBondContact O-N 2.92Å; Y801-N803 PolarHBondContact O-N 2.89Å; Y801-Q804 WeakPolarHBondContact O-CB 3.39Å; Y801-Q804 PolarHBondContact O-N 2.87Å; Y801-Y805 WeakPolarHBondContact O-CD2 3.49Å; Y801-Y805 PolarHBondContact O-N 2.89Å; Y801-Y805 VanDerWaalsContact O-N 3.1Å
802	W	55.1	Low	53	Low	129 Å²	129	86.1 Å²	86.1	49%	0.489	43%	0.429	S	S	.	.	H	α-helix	trans	-56.9	-35.2	177.2	-89.1	30.1	0	0	0	113.4	L764 L799 K806	L764-W802 HydrophobicContact CD1-CH2 3.62Å; L764-W802 HydrophobicContact CD1-CZ2 4.06Å; L799-W802 HydrophobicContact CD2-CD2 4.29Å; L799-W802 HydrophobicContact CD2-CE3 4.09Å; L799-W802 PolarHBondContact O-N 2.81Å; W802-K806 PolarHBondContact O-N 3.11Å
803	N	47.3	Very low	50.8	Low	31 Å²	31	86.2 Å²	86.2	17%	0.166	43%	0.432	C	S	.	.	H	α-helix	trans	-73.5	-25.6	174.4	-78	-19.8	0	0	0	113.8	L799 Y801 L831 I833	L799-N803 PolarHBondContact O-N 2.95Å; Y801-N803 PolarHBondContact O-N 2.89Å; N803-L831 PolarHBondContact ND2-O 3.14Å; N803-L831 WeakPolarHBondContact OD1-CB 3.43Å; N803-L831 PolarHBondContact OD1-N 3.3Å; N803-I833 WeakPolarHBondContact ND2-CD1 3.47Å
804	Q	41.6	Very low	48.8	Very low	134 Å²	134	92 Å²	92	63%	0.626	45%	0.453	S	S	*	.	H	α-helix	trans	-75.3	-40.8	177.1	-65.1	174.6	-43.6	0	0	111.1	Y801 K806	Y801-Q804 WeakPolarHBondContact O-CB 3.39Å; Y801-Q804 PolarHBondContact O-N 2.87Å; Q804-K806 VanDerWaalsContact C-N 3.27Å; Q804-K806 PolarHBondContact O-N 3.41Å
805	Y	40.2	Very low	46.9	Very low	164 Å²	164	95 Å²	95	64%	0.643	47%	0.474	S	S	*	.	H	α-helix	trans	-75.2	-10.1	178.1	-69.7	-69.8	0	0	0	114.4	Y801 S807	Y801-Y805 WeakPolarHBondContact O-CD2 3.49Å; Y801-Y805 PolarHBondContact O-N 2.89Å; Y801-Y805 VanDerWaalsContact O-N 3.1Å; Y805-S807 PolarHBondContact O-N 3.1Å
806	K	36	Very low	44.7	Very low	144 Å²	144	100.3 Å²	100.3	63%	0.626	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	6.7	-179.9	-125.5	-170.8	179.7	-164.8	0	114.9	W802 Q804	W802-K806 PolarHBondContact O-N 3.11Å; Q804-K806 VanDerWaalsContact C-N 3.27Å; Q804-K806 PolarHBondContact O-N 3.41Å
807	S	33.4	Very low	42.6	Very low	93 Å²	93	106 Å²	106	65%	0.65	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	17.9	-173	-169.3	0	0	0	0	114.1	Y805	Y805-S807 PolarHBondContact O-N 3.1Å
808	M	26.7	Very low	40.4	Very low	119 Å²	119	109 Å²	109	59%	0.586	55%	0.546	S	S	*	.			trans	-139.5	118.5	173.8	-80.6	-176.8	58	0	0	111.1	C810	M808-C810 VanDerWaalsContact C-N 3.26Å; M808-C810 PolarHBondContact O-N 3.16Å
809	D	27.7	Very low	38.4	Very low	176 Å²	176	112.5 Å²	112.5	94%	0.941	56%	0.563	S	S	*	*			trans	-76.7	66.3	179	-58.5	-67.8	0	0	0	112.4
810	C	24.2	Very low	36.6	Very low	83 Å²	83	119.6 Å²	119.6	56%	0.561	60%	0.601	S	S	*	*			trans	-159.5	68.3	176.8	54.2	0	0	0	0	114.9	M808	M808-C810 VanDerWaalsContact C-N 3.26Å; M808-C810 PolarHBondContact O-N 3.16Å
811	I	29.5	Very low	34.9	Very low	130 Å²	130	119.1 Å²	119.1	67%	0.667	61%	0.608	S	S	*	*			trans	-132	77.8	154.4	-53.1	-178.4	0	0	0	109.7	S813	I811-S813 PolarHBondContact O-N 2.87Å
812	Q	27.2	Very low	33.4	Very low	163 Å²	163	121.3 Å²	121.3	76%	0.762	62%	0.623	S	S	*	*			trans	-90	81.9	167	-75.2	-178.1	-21.3	0	0	110.3
813	S	30.2	Very low	32.2	Very low	93 Å²	93	121.9 Å²	121.9	65%	0.65	64%	0.636	S	S	*	*	S	Bend	trans	-175.2	126.2	156.2	58.1	0	0	0	0	112.5	I811 S815	I811-S813 PolarHBondContact O-N 2.87Å; S813-S815 PolarHBondContact O-N 2.73Å
814	D	27.9	Very low	31.3	Very low	163 Å²	163	129.1 Å²	129.1	87%	0.872	66%	0.662	S	S	*	*			trans	11.2	88.7	159.5	-66.2	-20.5	0	0	0	119.2
815	S	33.1	Very low	30.7	Very low	64 Å²	64	127.5 Å²	127.5	45%	0.448	66%	0.664	S	S	.	*			trans	-145.6	145.7	144.8	68.4	0	0	0	0	110.4	S813 Y817 S818	S813-S815 PolarHBondContact O-N 2.73Å; S815-Y817 PolarHBondContact O-N 2.96Å; S815-S818 PolarHBondContact O-OG 2.82Å
816	D	29.4	Very low	30.1	Very low	114 Å²	114	126.5 Å²	126.5	61%	0.61	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	0.8	-176.3	-63.1	-64.7	0	0	0	114.5	S818	D816-S818 VanDerWaalsContact C-N 3.35Å
817	Y	31.4	Very low	29.8	Very low	120 Å²	120	126.2 Å²	126.2	47%	0.471	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.2	-26.4	177.3	-81.2	-82.6	0	0	0	114	S815 Y1091	S815-Y817 PolarHBondContact O-N 2.96Å; Y817-Y1091 HydrophobicContact CE2-CE2 4.39Å; Y817-Y1091 VanDerWaalsContact OH-CE1 3.29Å; Y817-Y1091 WeakPolarHBondContact OH-CE1 3.38Å; Y817-Y1091 WeakPolarHBondContact OH-CE2 3.29Å
818	S	32	Very low	29.6	Very low	70 Å²	70	125.8 Å²	125.8	49%	0.49	68%	0.684	S	S	.	*	G	3₁₀ helix	trans	-75.3	-38.8	-176.9	52.1	0	0	0	0	113.3	S815 D816 L820	S815-S818 PolarHBondContact O-OG 2.82Å; D816-S818 VanDerWaalsContact C-N 3.35Å; S818-L820 VanDerWaalsContact C-N 3.29Å; S818-L820 PolarHBondContact O-N 2.87Å; S818-L820 VanDerWaalsContact O-N 3.12Å
819	K	32.2	Very low	30.1	Very low	156 Å²	156	126.9 Å²	126.9	68%	0.678	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-83.5	16.8	-165.4	-68	171.8	-179.9	165.8	0	115.9
820	L	32.4	Very low	30.8	Very low	155 Å²	155	125.9 Å²	125.9	81%	0.812	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-131.6	13.4	-172.7	-76.6	172.9	0	0	0	115.4	S818	S818-L820 VanDerWaalsContact C-N 3.29Å; S818-L820 PolarHBondContact O-N 2.87Å; S818-L820 VanDerWaalsContact O-N 3.12Å
821	S	34	Very low	32.2	Very low	80 Å²	80	124.9 Å²	124.9	56%	0.559	67%	0.671	S	S	*	*			trans	-128.4	-13.5	-174.9	65.7	0	0	0	0	117.1	N823 Y824	S821-N823 PolarHBondContact O-N 3.41Å; S821-Y824 PolarHBondContact O-N 2.64Å
822	E	30	Very low	33.6	Very low	166 Å²	166	124.2 Å²	124.2	78%	0.776	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-17.7	-165.4	-63.7	173.8	139.5	0	0	116
823	N	30.7	Very low	35.5	Very low	142 Å²	142	118.1 Å²	118.1	76%	0.759	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-3.1	-173.1	-78.7	-64.1	0	0	0	115.9	S821	S821-N823 PolarHBondContact O-N 3.41Å
824	Y	28.4	Very low	37.4	Very low	183 Å²	183	113.9 Å²	113.9	72%	0.718	60%	0.602	S	S	*	*	S	Bend	trans	-144.6	58.5	-176.3	-72	-76.8	0	0	0	114.4	S821	S821-Y824 PolarHBondContact O-N 2.64Å
825	C	28.1	Very low	39.6	Very low	99 Å²	99	109 Å²	109	67%	0.669	58%	0.578	S	S	*	*			trans	-140.8	83.5	162.6	-84.5	0	0	0	0	109.6
826	I	27.7	Very low	41.7	Very low	144 Å²	144	109 Å²	109	74%	0.738	58%	0.583	S	S	*	*			trans	-99.8	127.7	170.4	-63.4	175.6	0	0	0	107.2
827	N	29.1	Very low	43.9	Very low	137 Å²	137	106 Å²	106	73%	0.733	58%	0.578	S	S	*	*	S	Bend	trans	72.4	107.4	-179.4	-55.4	-12.1	0	0	0	117	D829	N827-D829 VanDerWaalsContact C-N 3.33Å; N827-D829 PolarHBondContact O-N 2.84Å
828	G	29.5	Very low	46.2	Very low	85 Å²	85	100.6 Å²	100.6	88%	0.876	56%	0.557	S	S	*	*				71.1	-47.7	126.7	0	0	0	0	0	121.2
829	D	36.5	Very low	48.5	Very low	142 Å²	142	99.5 Å²	99.5	76%	0.759	54%	0.543	S	S	*	.			trans	-84.4	130.3	-151.2	-65.4	-38.3	0	0	0	114.7	N827 L831	N827-D829 VanDerWaalsContact C-N 3.33Å; N827-D829 PolarHBondContact O-N 2.84Å; D829-L831 PolarHBondContact O-N 2.78Å
830	H	44.4	Very low	50.9	Low	154 Å²	154	92.2 Å²	92.2	71%	0.713	51%	0.511	S	S	*	.			trans	-62.2	126.4	166.4	-67.3	-69.1	0	0	0	109.6	R832	H830-R832 VanDerWaalsContact C-N 3.33Å; H830-R832 PolarHBondContact O-N 3.11Å
831	L	53.1	Low	53.2	Low	63 Å²	63	85.9 Å²	85.9	33%	0.33	48%	0.478	S	S	.	.			trans	-72.5	83.2	-172.9	-169.8	84.9	0	0	0	111	N803 D829 I833	N803-L831 PolarHBondContact ND2-O 3.14Å; N803-L831 WeakPolarHBondContact OD1-CB 3.43Å; N803-L831 PolarHBondContact OD1-N 3.3Å; D829-L831 PolarHBondContact O-N 2.78Å; L831-I833 PolarHBondContact O-N 3.38Å
832	R	58.8	Low	55.4	Low	116 Å²	116	83 Å²	83	44%	0.438	46%	0.458	S	S	.	.			trans	-49.7	109.5	-174.6	-166.8	-179.4	-168.4	169.6	6.1	111.1	D757 L759 H830	D757-R832 IonicContact OD2-NH1 2.73Å; L759-R832 HydrophobicContact CD1-CB 3.84Å; L759-R832 HydrophobicContact CD2-CB 4.03Å; L759-R832 WeakPolarHBondContact CD2-O 3.36Å; H830-R832 VanDerWaalsContact C-N 3.33Å; H830-R832 PolarHBondContact O-N 3.11Å
833	I	66.1	Low	57.6	Low	34 Å²	34	75.1 Å²	75.1	17%	0.174	42%	0.421	C	S	.	.			trans	-66.4	139.6	176.8	-49.1	97.8	0	0	0	108	L799 K800 N803 L831	L799-I833 HydrophobicContact CB-CG1 3.98Å; L799-I833 HydrophobicContact CB-CG2 4.23Å; K800-I833 HydrophobicContact CG-CD1 4.17Å; K800-I833 HydrophobicContact CG-CG1 4.16Å; K800-I833 HydrophobicContact CG-CG2 4.26Å; N803-I833 WeakPolarHBondContact ND2-CD1 3.47Å; L831-I833 PolarHBondContact O-N 3.38Å
834	P	71.3	Confident	59.3	Low	4 Å²	4	69 Å²	69	3%	0.026	39%	0.39	C	S	.	.			trans	-52.5	152.5	168.4	19	-31.8	0	0	0	112	L787 I790 V796 I1098	L787-P834 HydrophobicContact CD2-CB 3.77Å; I790-P834 HydrophobicContact CD1-CB 4.09Å; I790-P834 HydrophobicContact CD1-CG 4.02Å; I790-P834 WeakPolarHBondContact CD1-O 3.42Å; V796-P834 HydrophobicContact CG1-CG 3.51Å; P834-I1098 HydrophobicContact CB-CD1 3.66Å; P834-I1098 HydrophobicContact CB-CG1 4.35Å; P834-I1098 HydrophobicContact CG-CD1 3.86Å
835	T	73.6	Confident	61.2	Low	60 Å²	60	66.1 Å²	66.1	37%	0.368	39%	0.387	S	S	.	.			trans	-135.4	162.3	179.8	55	0	0	0	0	110.7	G837 D838 R1100	T835-G837 PolarHBondContact O-N 3.27Å; T835-D838 WeakPolarHBondContact CA-OD2 3.23Å; T835-D838 WeakPolarHBondContact CB-OD2 3.39Å; T835-D838 PolarHBondContact N-OD2 3.26Å; T835-D838 WeakPolarHBondContact O-CB 3.37Å; T835-D838 PolarHBondContact O-N 3.31Å; T835-D838 VanDerWaalsContact O-N 3.12Å; T835-D838 PolarHBondContact OG1-OD2 3.31Å; T835-R1100 PolarHBondContact OG1-NH1 3.35Å
836	A	76.5	Confident	63.4	Low	65 Å²	65	65.2 Å²	65.2	54%	0.537	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	134.8	173.8	0	0	0	0	0	110.5	L787 A788	L787-A836 CarbonylContact O-C 3.58Å; L787-A836 WeakPolarHBondContact O-CA 3.24Å; A788-A836 WeakPolarHBondContact O-CB 3.44Å
837	G	75.2	Confident	65.9	Low	50 Å²	50	61 Å²	61	52%	0.515	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-14.8	-174.1	0	0	0	0	0	115.5	L787 T835	L787-G837 PolarHBondContact O-N 3.16Å; T835-G837 PolarHBondContact O-N 3.27Å
838	D	80	Confident	68.4	Low	7 Å²	7	54.4 Å²	54.4	4%	0.037	32%	0.318	C	S	.	.			trans	-67.7	151.7	168.3	-69.6	-48.1	0	0	0	110.7	L787 T835 I1098 R1100	L787-D838 VanDerWaalsContact CB-O 3.28Å; L787-D838 WeakPolarHBondContact CB-O 3.44Å; L787-D838 PolarHBondContact N-O 2.87Å; T835-D838 WeakPolarHBondContact CA-OD2 3.23Å; T835-D838 WeakPolarHBondContact CB-OD2 3.39Å; T835-D838 PolarHBondContact N-OD2 3.26Å; T835-D838 WeakPolarHBondContact O-CB 3.37Å; T835-D838 PolarHBondContact O-N 3.31Å; T835-D838 VanDerWaalsContact O-N 3.12Å; T835-D838 PolarHBondContact OG1-OD2 3.31Å; D838-I1098 HydrophobicContact CB-CG2 3.69Å; D838-R1100 WeakPolarHBondContact OD1-CD 3.5Å; D838-R1100 WeakPolarHBondContact OD1-CG 3.43Å; D838-R1100 IonicContact OD1-CZ 3.98Å; D838-R1100 IonicContact OD1-NE 3.57Å; D838-R1100 IonicContact OD1-NH1 3.29Å; D838-R1100 PolarHBondContact OD1-NH1 3.01Å; D838-R1100 IonicContact OD2-NH1 3.95Å; D838-R1100 PolarHBondContact OD2-NH1 2.83Å; D838-R1100 VanDerWaalsContact OD2-NH1 3.07Å
839	R	80.6	Confident	70.9	Confident	48 Å²	48	54.7 Å²	54.7	18%	0.181	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.9	-178.4	-68	160.4	156.4	-89	14	111.3	D781 R783 G784 K786 I1098 Y1099	D781-R839 IonicContact OD1-CZ 3.9Å; D781-R839 IonicContact OD1-NH1 2.7Å; D781-R839 PolarHBondContact OD1-NH1 3.13Å; D781-R839 IonicContact OD1-NH2 3.36Å; D781-R839 IonicContact OD2-CZ 3.77Å; D781-R839 VanDerWaalsContact OD2-CZ 3.27Å; D781-R839 IonicContact OD2-NH1 3.07Å; D781-R839 PolarHBondContact OD2-NH1 2.91Å; D781-R839 IonicContact OD2-NH2 3.57Å; D781-R839 PolarHBondContact OD2-NH2 3.18Å; R783-R839 WeakPolarHBondContact O-CB 3.47Å; G784-R839 PolarHBondContact O-NH1 3.43Å; K786-R839 HydrophobicContact CG-CG 4Å; R839-I1098 CarbonylContact O-C 3.48Å; R839-I1098 WeakPolarHBondContact O-CA 3.18Å; R839-Y1099 HydrophobicContact CB-CD1 4.39Å; R839-Y1099 PolarHBondContact N-O 3.15Å; R839-Y1099 PolarHBondContact O-N 3.19Å
840	I	82.5	Confident	72.8	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111.6	178.4	-53.8	-168.2	0	0	0	108.9	L773 L775 G784 I785 L787 V843 F848 I1096	L773-I840 HydrophobicContact CB-CD1 4.26Å; L773-I840 HydrophobicContact CD1-CD1 3.92Å; L773-I840 HydrophobicContact CD2-CD1 3.89Å; L773-I840 HydrophobicContact CG-CD1 4.24Å; L775-I840 HydrophobicContact CD2-CD1 3.91Å; L775-I840 HydrophobicContact CD2-CG1 4.46Å; G784-I840 VanDerWaalsContact CA-O 3.23Å; G784-I840 WeakPolarHBondContact CA-O 3.47Å; I785-I840 PolarHBondContact N-O 3.12Å; I785-I840 VanDerWaalsContact N-O 3.08Å; I785-I840 PolarHBondContact O-N 3.4Å; L787-I840 HydrophobicContact CB-CD1 4.48Å; L787-I840 HydrophobicContact CB-CG1 4.44Å; L787-I840 HydrophobicContact CD1-CD1 4.23Å; I840-V843 HydrophobicContact CG2-CG2 3.59Å; I840-F848 HydrophobicContact CB-CD2 4.35Å; I840-F848 HydrophobicContact CG2-CD2 3.94Å; I840-F848 HydrophobicContact CG2-CE2 4.3Å; I840-F848 HydrophobicContact CG2-CG 4.45Å; I840-F848 WeakPolarHBondContact O-CB 3.17Å; I840-I1096 HydrophobicContact CG2-CG2 4.15Å
841	L	81.7	Confident	74.4	Confident	22 Å²	22	47.1 Å²	47.1	12%	0.115	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-44	176.5	-72.9	168	0	0	0	111.7	V758 S847 F848 Q849 N1097	V758-L841 HydrophobicContact CB-CD1 4.47Å; V758-L841 HydrophobicContact CG1-CD1 3.77Å; V758-L841 HydrophobicContact CG2-CD1 3.97Å; L841-S847 PolarHBondContact O-OG 3.3Å; L841-F848 PolarHBondContact O-N 3.13Å; L841-Q849 HydrophobicContact CD2-CG 4.14Å; L841-N1097 HydrophobicContact CB-CB 4.06Å; L841-N1097 HydrophobicContact CD1-CB 4.47Å; L841-N1097 PolarHBondContact N-O 2.95Å
842	S	78.8	Confident	75.7	Confident	20 Å²	20	46.2 Å²	46.2	14%	0.14	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	157.4	-179.9	63.5	0	0	0	0	112.2	Y846 N1097	S842-Y846 CarbonylContact C-O 3.6Å; S842-Y846 WeakPolarHBondContact CA-O 3.46Å; S842-Y846 WeakPolarHBondContact CB-O 3.39Å; S842-N1097 PolarHBondContact N-O 3.34Å; S842-N1097 PolarHBondContact O-N 2.95Å; S842-N1097 WeakPolarHBondContact OG-CB 3.28Å; S842-N1097 PolarHBondContact OG-ND2 3.03Å
843	V	76.8	Confident	76.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	121.7	170.8	-170.2	0	0	0	0	108.4	L771 L773 I840 D845 Y846 F848 L860 L863 T1095 I1096	L771-V843 HydrophobicContact CD1-CG1 3.75Å; L773-V843 HydrophobicContact CD1-CG2 4.36Å; I840-V843 HydrophobicContact CG2-CG2 3.59Å; V843-D845 PolarHBondContact O-N 2.87Å; V843-Y846 PolarHBondContact N-O 2.88Å; V843-Y846 WeakPolarHBondContact O-CB 3.39Å; V843-Y846 PolarHBondContact O-N 3.5Å; V843-Y846 VanDerWaalsContact O-N 3.08Å; V843-F848 HydrophobicContact CB-CE1 3.99Å; V843-F848 HydrophobicContact CB-CZ 3.89Å; V843-F848 HydrophobicContact CG2-CD2 4.42Å; V843-F848 HydrophobicContact CG2-CE1 3.95Å; V843-F848 HydrophobicContact CG2-CE2 3.79Å; V843-F848 HydrophobicContact CG2-CZ 3.53Å; V843-L860 HydrophobicContact CB-CD2 4.48Å; V843-L860 HydrophobicContact CG1-CD2 4.35Å; V843-L860 HydrophobicContact CG2-CD2 4.13Å; V843-L863 HydrophobicContact CB-CD1 3.94Å; V843-L863 HydrophobicContact CG1-CD1 3.63Å; V843-T1095 WeakPolarHBondContact CA-O 3.38Å; V843-I1096 HydrophobicContact CG1-CG1 4.21Å; V843-I1096 HydrophobicContact CG2-CG2 4.4Å
844	S	67.5	Low	76.6	Confident	14 Å²	14	46.6 Å²	46.6	10%	0.098	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	58.6	174.4	-48.7	0	0	0	0	112.6	Y846 F1094 T1095	S844-Y846 WeakPolarHBondContact O-CD2 3.07Å; S844-Y846 PolarHBondContact O-N 3.31Å; S844-F1094 WeakPolarHBondContact OG-CD1 3.48Å; S844-T1095 PolarHBondContact N-O 2.85Å
845	D	68.2	Low	76.7	Confident	122 Å²	122	49.3 Å²	49.3	65%	0.652	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	-7.8	-176.3	-54.2	-22.2	0	0	0	116.5	V843 S847	V843-D845 PolarHBondContact O-N 2.87Å; D845-S847 PolarHBondContact O-N 2.87Å
846	Y	73.9	Confident	76.9	Confident	79 Å²	79	46.4 Å²	46.4	31%	0.31	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	113	170.5	-64.8	-74.6	0	0	0	111	S842 V843 S844 F848 L859 L863	S842-Y846 CarbonylContact C-O 3.6Å; S842-Y846 WeakPolarHBondContact CA-O 3.46Å; S842-Y846 WeakPolarHBondContact CB-O 3.39Å; V843-Y846 PolarHBondContact N-O 2.88Å; V843-Y846 WeakPolarHBondContact O-CB 3.39Å; V843-Y846 PolarHBondContact O-N 3.5Å; V843-Y846 VanDerWaalsContact O-N 3.08Å; S844-Y846 WeakPolarHBondContact O-CD2 3.07Å; S844-Y846 PolarHBondContact O-N 3.31Å; Y846-F848 VanDerWaalsContact O-CD1 3.31Å; Y846-F848 WeakPolarHBondContact O-CD1 3.2Å; Y846-L859 HydrophobicContact CD1-CD1 3.72Å; Y846-L859 HydrophobicContact CD1-CD2 4.34Å; Y846-L859 HydrophobicContact CE1-CD1 4.49Å; Y846-L859 HydrophobicContact CE1-CD2 4.33Å; Y846-L859 HydrophobicContact CG-CD1 3.88Å; Y846-L863 HydrophobicContact CD2-CD1 4.12Å; Y846-L863 HydrophobicContact CD2-CD2 3.96Å; Y846-L863 HydrophobicContact CD2-CG 4.24Å; Y846-L863 HydrophobicContact CE2-CD2 3.79Å; Y846-L863 HydrophobicContact CE2-CG 4.33Å
847	S	80.8	Confident	76.8	Confident	55 Å²	55	45.1 Å²	45.1	39%	0.385	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	135.4	169.3	-179.6	0	0	0	0	111.3	L841 D845 Q849 M851	L841-S847 PolarHBondContact O-OG 3.3Å; D845-S847 PolarHBondContact O-N 2.87Å; S847-Q849 WeakPolarHBondContact OG-CB 3.49Å; S847-Q849 WeakPolarHBondContact OG-CG 3.37Å; S847-Q849 PolarHBondContact OG-N 3.19Å; S847-Q849 PolarHBondContact OG-OE1 2.98Å; S847-M851 WeakPolarHBondContact O-CE 3.3Å
848	F	81.5	Confident	76.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.			trans	-101.3	-0.5	176.9	-76.4	30.3	0	0	0	111.5	L775 I785 I840 L841 V843 Y846 M851 A856 L859 L860	L775-F848 HydrophobicContact CD1-CD2 4.24Å; L775-F848 HydrophobicContact CD1-CE2 4.03Å; I785-F848 HydrophobicContact CD1-CB 4.07Å; I785-F848 HydrophobicContact CD1-CD2 4.05Å; I785-F848 HydrophobicContact CD1-CG 4.34Å; I785-F848 HydrophobicContact CG1-CB 4.34Å; I840-F848 HydrophobicContact CB-CD2 4.35Å; I840-F848 HydrophobicContact CG2-CD2 3.94Å; I840-F848 HydrophobicContact CG2-CE2 4.3Å; I840-F848 HydrophobicContact CG2-CG 4.45Å; I840-F848 WeakPolarHBondContact O-CB 3.17Å; L841-F848 PolarHBondContact O-N 3.13Å; V843-F848 HydrophobicContact CB-CE1 3.99Å; V843-F848 HydrophobicContact CB-CZ 3.89Å; V843-F848 HydrophobicContact CG2-CD2 4.42Å; V843-F848 HydrophobicContact CG2-CE1 3.95Å; V843-F848 HydrophobicContact CG2-CE2 3.79Å; V843-F848 HydrophobicContact CG2-CZ 3.53Å; Y846-F848 VanDerWaalsContact O-CD1 3.31Å; Y846-F848 WeakPolarHBondContact O-CD1 3.2Å; F848-M851 HydrophobicContact CB-CE 4.01Å; F848-M851 HydrophobicContact CD1-CE 3.27Å; F848-M851 HydrophobicContact CD2-CE 4.34Å; F848-M851 HydrophobicContact CE1-CE 3.77Å; F848-M851 HydrophobicContact CG-CE 3.6Å; F848-M851 HydrophobicContact CZ-CE 4.48Å; F848-M851 PolarHBondContact O-N 3.5Å; F848-A856 HydrophobicContact CD2-CB 4.01Å; F848-A856 HydrophobicContact CE2-CB 4.06Å; F848-A856 HydrophobicContact CG-CB 4.43Å; F848-L859 HydrophobicContact CE1-CB 4.49Å; F848-L860 HydrophobicContact CE2-CD1 4.18Å; F848-L860 HydrophobicContact CE2-CD2 4.02Å; F848-L860 HydrophobicContact CE2-CG 3.92Å; F848-L860 HydrophobicContact CZ-CD2 3.75Å; F848-L860 HydrophobicContact CZ-CG 3.77Å
849	Q	80.5	Confident	76.3	Confident	91 Å²	91	51.6 Å²	51.6	43%	0.425	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	135.3	173.9	-56.5	167.7	-70.1	0	0	110.4	D781 E782 L841 S847 M851	D781-Q849 CarbonylContact O-C 3.59Å; D781-Q849 VanDerWaalsContact O-CA 3.26Å; D781-Q849 WeakPolarHBondContact O-CA 3.48Å; E782-Q849 WeakPolarHBondContact O-CG 3.26Å; E782-Q849 PolarHBondContact O-NE2 2.92Å; L841-Q849 HydrophobicContact CD2-CG 4.14Å; S847-Q849 WeakPolarHBondContact OG-CB 3.49Å; S847-Q849 WeakPolarHBondContact OG-CG 3.37Å; S847-Q849 PolarHBondContact OG-N 3.19Å; S847-Q849 PolarHBondContact OG-OE1 2.98Å; Q849-M851 PolarHBondContact O-N 3.42Å
850	N	77.8	Confident	76.1	Confident	111 Å²	111	50 Å²	50	59%	0.594	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	19	-179.6	-62.9	-40.2	0	0	0	114.9	G780 D781 E782	G780-N850 VanDerWaalsContact O-CA 3.24Å; G780-N850 WeakPolarHBondContact O-CA 3.44Å; D781-N850 VanDerWaalsContact C-OD1 3.24Å; D781-N850 PolarHBondContact O-N 3.26Å; E782-N850 PolarHBondContact N-OD1 3.08Å
851	M	77.8	Confident	75.3	Confident	25 Å²	25	54.4 Å²	54.4	12%	0.123	27%	0.268	C	S	.	.			trans	-100	137.3	-180	178.5	165.9	52.1	0	0	111	G780 S847 F848 Q849 T855 A856 L859	G780-M851 PolarHBondContact N-O 3.2Å; S847-M851 WeakPolarHBondContact O-CE 3.3Å; F848-M851 HydrophobicContact CB-CE 4.01Å; F848-M851 HydrophobicContact CD1-CE 3.27Å; F848-M851 HydrophobicContact CD2-CE 4.34Å; F848-M851 HydrophobicContact CE1-CE 3.77Å; F848-M851 HydrophobicContact CG-CE 3.6Å; F848-M851 HydrophobicContact CZ-CE 4.48Å; F848-M851 PolarHBondContact O-N 3.5Å; Q849-M851 PolarHBondContact O-N 3.42Å; M851-T855 HydrophobicContact CG-CG2 4.01Å; M851-T855 HydrophobicContact SD-CG2 3.56Å; M851-T855 VanDerWaalsContact SD-CG2 3.56Å; M851-A856 HydrophobicContact CE-CB 3.5Å; M851-A856 VanDerWaalsContact CE-CB 3.5Å; M851-A856 HydrophobicContact CG-CB 4.26Å; M851-A856 HydrophobicContact SD-CB 4.18Å; M851-L859 HydrophobicContact CE-CD1 3.73Å; M851-L859 HydrophobicContact SD-CD1 3.62Å; M851-L859 HydrophobicContact SD-CG 4.25Å
852	S	79.4	Confident	74.5	Confident	44 Å²	44	57.9 Å²	57.9	31%	0.308	28%	0.282	S	S	.	.			trans	-66.6	142.6	175.5	68.2	0	0	0	0	112	S779 F854 T855 A856	S779-S852 WeakPolarHBondContact OG-CA 3.46Å; S852-F854 PolarHBondContact O-N 3.31Å; S852-F854 VanDerWaalsContact O-N 3.12Å; S852-T855 WeakPolarHBondContact O-CA 3.45Å; S852-T855 PolarHBondContact O-N 2.88Å; S852-T855 PolarHBondContact OG-OG1 2.87Å; S852-A856 PolarHBondContact O-N 2.85Å
853	A	74.1	Confident	73.8	Confident	4 Å²	4	57.1 Å²	57.1	3%	0.033	28%	0.277	C	S	.	.	H	α-helix	trans	-52.2	-38.5	-180	0	0	0	0	0	112.6	E776 T855 A856 L857	E776-A853 WeakPolarHBondContact O-CB 3.46Å; A853-T855 PolarHBondContact O-N 3.35Å; A853-A856 PolarHBondContact O-N 3.38Å; A853-L857 WeakPolarHBondContact O-CB 3.26Å; A853-L857 VanDerWaalsContact O-CG 3.23Å; A853-L857 WeakPolarHBondContact O-CG 3.31Å; A853-L857 PolarHBondContact O-N 3.11Å
854	F	70.3	Confident	72.9	Confident	155 Å²	155	57.3 Å²	57.3	68%	0.68	28%	0.278	S	S	*	.	H	α-helix	trans	-60.5	-43.5	174.2	-178.6	-98	0	0	0	113.1	S852 R858	S852-F854 PolarHBondContact O-N 3.31Å; S852-F854 VanDerWaalsContact O-N 3.12Å; F854-R858 WeakPolarHBondContact O-CB 3.42Å; F854-R858 PolarHBondContact O-N 3.23Å
855	T	73.4	Confident	71.9	Confident	60 Å²	60	58.1 Å²	58.1	37%	0.368	28%	0.283	S	S	.	.	H	α-helix	trans	-69.1	-39.7	177.8	-49.3	0	0	0	0	110.5	M851 S852 A853 R858 L859	M851-T855 HydrophobicContact CG-CG2 4.01Å; M851-T855 HydrophobicContact SD-CG2 3.56Å; M851-T855 VanDerWaalsContact SD-CG2 3.56Å; S852-T855 WeakPolarHBondContact O-CA 3.45Å; S852-T855 PolarHBondContact O-N 2.88Å; S852-T855 PolarHBondContact OG-OG1 2.87Å; A853-T855 PolarHBondContact O-N 3.35Å; T855-R858 CarbonylContact O-C 3.52Å; T855-R858 WeakPolarHBondContact O-CA 3.33Å; T855-R858 WeakPolarHBondContact O-CB 3.45Å; T855-R858 PolarHBondContact O-N 3.38Å; T855-L859 WeakPolarHBondContact O-CG 3.3Å; T855-L859 PolarHBondContact O-N 3.23Å
856	A	77.7	Confident	70.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.6	-44.6	177.9	0	0	0	0	0	113.1	L775 I785 F848 M851 S852 A853 R858 L859 L860	L775-A856 HydrophobicContact CD1-CB 3.45Å; L775-A856 VanDerWaalsContact CD1-CB 3.45Å; I785-A856 HydrophobicContact CD1-CB 3.16Å; F848-A856 HydrophobicContact CD2-CB 4.01Å; F848-A856 HydrophobicContact CE2-CB 4.06Å; F848-A856 HydrophobicContact CG-CB 4.43Å; M851-A856 HydrophobicContact CE-CB 3.5Å; M851-A856 VanDerWaalsContact CE-CB 3.5Å; M851-A856 HydrophobicContact CG-CB 4.26Å; M851-A856 HydrophobicContact SD-CB 4.18Å; S852-A856 PolarHBondContact O-N 2.85Å; A853-A856 PolarHBondContact O-N 3.38Å; A856-R858 PolarHBondContact O-N 3.15Å; A856-L859 CarbonylContact O-C 3.52Å; A856-L859 PolarHBondContact O-N 3.43Å; A856-L860 WeakPolarHBondContact O-CG 3.45Å; A856-L860 PolarHBondContact O-N 2.72Å
857	L	74.1	Confident	69	Low	38 Å²	38	58.2 Å²	58.2	20%	0.199	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-34.8	170.8	-70.7	168	0	0	0	111.4	L775 A853 L860 R861	L775-L857 HydrophobicContact CB-CD2 4.45Å; L775-L857 HydrophobicContact CD1-CD2 4.39Å; L775-L857 HydrophobicContact CD1-CG 4.36Å; L775-L857 HydrophobicContact CG-CD2 4.4Å; A853-L857 WeakPolarHBondContact O-CB 3.26Å; A853-L857 VanDerWaalsContact O-CG 3.23Å; A853-L857 WeakPolarHBondContact O-CG 3.31Å; A853-L857 PolarHBondContact O-N 3.11Å; L857-L860 HydrophobicContact CD2-CD1 4.41Å; L857-R861 WeakPolarHBondContact O-CB 3.43Å; L857-R861 VanDerWaalsContact O-CG 3.23Å; L857-R861 WeakPolarHBondContact O-CG 3.25Å; L857-R861 PolarHBondContact O-N 2.69Å
858	R	71.7	Confident	66.6	Low	165 Å²	165	58.9 Å²	58.9	62%	0.623	31%	0.305	S	S	*	.	H	α-helix	trans	-71.3	-30.2	173.7	-166.7	178.5	-175.3	-169.4	3.1	113	F854 T855 A856 K862	F854-R858 WeakPolarHBondContact O-CB 3.42Å; F854-R858 PolarHBondContact O-N 3.23Å; T855-R858 CarbonylContact O-C 3.52Å; T855-R858 WeakPolarHBondContact O-CA 3.33Å; T855-R858 WeakPolarHBondContact O-CB 3.45Å; T855-R858 PolarHBondContact O-N 3.38Å; A856-R858 PolarHBondContact O-N 3.15Å; R858-K862 PolarHBondContact O-N 3.48Å; R858-K862 VanDerWaalsContact O-N 3.08Å
859	L	73.7	Confident	63.9	Low	27 Å²	27	69.5 Å²	69.5	14%	0.141	35%	0.351	C	S	.	.	H	α-helix	trans	-75	-42.1	170.8	-66.9	-170.2	0	0	0	111.9	Y846 F848 M851 T855 A856 R861 K862 L863	Y846-L859 HydrophobicContact CD1-CD1 3.72Å; Y846-L859 HydrophobicContact CD1-CD2 4.34Å; Y846-L859 HydrophobicContact CE1-CD1 4.49Å; Y846-L859 HydrophobicContact CE1-CD2 4.33Å; Y846-L859 HydrophobicContact CG-CD1 3.88Å; F848-L859 HydrophobicContact CE1-CB 4.49Å; M851-L859 HydrophobicContact CE-CD1 3.73Å; M851-L859 HydrophobicContact SD-CD1 3.62Å; M851-L859 HydrophobicContact SD-CG 4.25Å; T855-L859 WeakPolarHBondContact O-CG 3.3Å; T855-L859 PolarHBondContact O-N 3.23Å; A856-L859 CarbonylContact O-C 3.52Å; A856-L859 PolarHBondContact O-N 3.43Å; L859-R861 VanDerWaalsContact C-N 3.3Å; L859-R861 PolarHBondContact O-N 3.09Å; L859-K862 HydrophobicContact CD2-CD 4.02Å; L859-K862 CarbonylContact O-C 3.58Å; L859-K862 WeakPolarHBondContact O-CA 3.28Å; L859-K862 VanDerWaalsContact O-CB 3.31Å; L859-K862 WeakPolarHBondContact O-CB 3.1Å; L859-K862 PolarHBondContact O-N 2.72Å; L859-K862 VanDerWaalsContact O-N 3.09Å; L859-L863 WeakPolarHBondContact O-CG 3.18Å; L859-L863 PolarHBondContact O-N 3.01Å
860	L	75.3	Confident	61.3	Low	15 Å²	15	69.4 Å²	69.4	8%	0.079	35%	0.353	C	S	.	.	H	α-helix	trans	-57.3	-41.9	171.4	-72.6	175.3	0	0	0	111.8	L771 L773 L775 V843 F848 A856 L857 L863 I864	L771-L860 HydrophobicContact CD1-CD2 4.41Å; L773-L860 HydrophobicContact CB-CD1 4.32Å; L773-L860 HydrophobicContact CD1-CD2 4.01Å; L775-L860 HydrophobicContact CD1-CD1 3.89Å; L775-L860 HydrophobicContact CD2-CD1 4.48Å; L775-L860 HydrophobicContact CG-CD1 4Å; V843-L860 HydrophobicContact CB-CD2 4.48Å; V843-L860 HydrophobicContact CG1-CD2 4.35Å; V843-L860 HydrophobicContact CG2-CD2 4.13Å; F848-L860 HydrophobicContact CE2-CD1 4.18Å; F848-L860 HydrophobicContact CE2-CD2 4.02Å; F848-L860 HydrophobicContact CE2-CG 3.92Å; F848-L860 HydrophobicContact CZ-CD2 3.75Å; F848-L860 HydrophobicContact CZ-CG 3.77Å; A856-L860 WeakPolarHBondContact O-CG 3.45Å; A856-L860 PolarHBondContact O-N 2.72Å; L857-L860 HydrophobicContact CD2-CD1 4.41Å; L860-L863 PolarHBondContact O-N 2.96Å; L860-I864 PolarHBondContact O-N 2.93Å
861	R	66.3	Low	58.7	Low	95 Å²	95	73.7 Å²	73.7	36%	0.358	37%	0.366	S	S	.	.	H	α-helix	trans	-62.4	-44.8	172.1	-73	169.8	-165.5	-145.7	-0.5	112.1	E169 Y173 L857 L859 L863 I864	E169-R861 IonicContact OE1-CZ 2.75Å; E169-R861 IonicContact OE1-NH1 3.37Å; E169-R861 PolarHBondContact OE1-NH1 2.96Å; E169-R861 IonicContact OE1-NH2 2.93Å; E169-R861 PolarHBondContact OE1-NH2 3.44Å; Y173-R861 PolarHBondContact OH-NH2 3.36Å; L857-R861 WeakPolarHBondContact O-CB 3.43Å; L857-R861 VanDerWaalsContact O-CG 3.23Å; L857-R861 WeakPolarHBondContact O-CG 3.25Å; L857-R861 PolarHBondContact O-N 2.69Å; L859-R861 VanDerWaalsContact C-N 3.3Å; L859-R861 PolarHBondContact O-N 3.09Å; R861-L863 VanDerWaalsContact C-N 3.26Å; R861-L863 PolarHBondContact O-N 2.77Å; R861-I864 HydrophobicContact CB-CD1 4.45Å; R861-I864 VanDerWaalsContact O-CB 3.25Å; R861-I864 WeakPolarHBondContact O-CB 3.18Å; R861-I864 WeakPolarHBondContact O-CD1 3.44Å; R861-I864 WeakPolarHBondContact O-CG1 3.33Å; R861-I864 PolarHBondContact O-N 2.77Å
862	K	65.5	Low	56.1	Low	95 Å²	95	78.7 Å²	78.7	41%	0.413	40%	0.398	S	S	.	.	H	α-helix	trans	-56.7	-40	172.7	-93.8	-179.4	164.3	-159.5	0	112.5	R858 L859 I864 S865 Y866	R858-K862 PolarHBondContact O-N 3.48Å; R858-K862 VanDerWaalsContact O-N 3.08Å; L859-K862 HydrophobicContact CD2-CD 4.02Å; L859-K862 CarbonylContact O-C 3.58Å; L859-K862 WeakPolarHBondContact O-CA 3.28Å; L859-K862 VanDerWaalsContact O-CB 3.31Å; L859-K862 WeakPolarHBondContact O-CB 3.1Å; L859-K862 PolarHBondContact O-N 2.72Å; L859-K862 VanDerWaalsContact O-N 3.09Å; K862-I864 PolarHBondContact O-N 2.98Å; K862-S865 WeakPolarHBondContact O-CB 3.39Å; K862-S865 PolarHBondContact O-N 3.43Å; K862-Y866 HydrophobicContact CB-CD2 4.02Å; K862-Y866 HydrophobicContact CB-CE2 3.8Å; K862-Y866 HydrophobicContact CD-CE2 4.02Å; K862-Y866 HydrophobicContact CG-CE2 3.96Å; K862-Y866 VanDerWaalsContact O-CD2 3.22Å; K862-Y866 WeakPolarHBondContact O-CD2 3.43Å
863	L	64.5	Low	53.5	Low	4 Å²	4	82.7 Å²	82.7	2%	0.021	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-3.4	-179.5	-69.9	174	0	0	0	114.7	K765 V843 Y846 L859 L860 R861 S865	K765-L863 WeakPolarHBondContact CE-O 3.32Å; V843-L863 HydrophobicContact CB-CD1 3.94Å; V843-L863 HydrophobicContact CG1-CD1 3.63Å; Y846-L863 HydrophobicContact CD2-CD1 4.12Å; Y846-L863 HydrophobicContact CD2-CD2 3.96Å; Y846-L863 HydrophobicContact CD2-CG 4.24Å; Y846-L863 HydrophobicContact CE2-CD2 3.79Å; Y846-L863 HydrophobicContact CE2-CG 4.33Å; L859-L863 WeakPolarHBondContact O-CG 3.18Å; L859-L863 PolarHBondContact O-N 3.01Å; L860-L863 PolarHBondContact O-N 2.96Å; R861-L863 VanDerWaalsContact C-N 3.26Å; R861-L863 PolarHBondContact O-N 2.77Å; L863-S865 PolarHBondContact O-N 2.86Å
864	I	57.9	Low	51.1	Low	4 Å²	4	88.5 Å²	88.5	2%	0.021	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.8	162.2	-56.6	170.5	0	0	0	110	E128 K765 I770 L860 R861 K862	E128-I864 HydrophobicContact CG-CG2 3.78Å; K765-I864 PolarHBondContact NZ-O 3.3Å; I770-I864 HydrophobicContact CD1-CD1 3.6Å; I770-I864 HydrophobicContact CD1-CG1 4.42Å; I770-I864 HydrophobicContact CG1-CD1 3.65Å; I770-I864 HydrophobicContact CG1-CG1 3.96Å; L860-I864 PolarHBondContact O-N 2.93Å; R861-I864 HydrophobicContact CB-CD1 4.45Å; R861-I864 VanDerWaalsContact O-CB 3.25Å; R861-I864 WeakPolarHBondContact O-CB 3.18Å; R861-I864 WeakPolarHBondContact O-CD1 3.44Å; R861-I864 WeakPolarHBondContact O-CG1 3.33Å; R861-I864 PolarHBondContact O-N 2.77Å; K862-I864 PolarHBondContact O-N 2.98Å
865	S	45.8	Very low	48.9	Very low	31 Å²	31	90.1 Å²	90.1	22%	0.217	46%	0.455	C	S	.	.	S	Bend	trans	-113	-8.2	-163.4	-61.2	0	0	0	0	117.1	K126 K862 L863	K126-S865 WeakPolarHBondContact O-CA 3.48Å; K126-S865 WeakPolarHBondContact O-CB 3.12Å; K126-S865 PolarHBondContact O-OG 3.08Å; K862-S865 WeakPolarHBondContact O-CB 3.39Å; K862-S865 PolarHBondContact O-N 3.43Å; L863-S865 PolarHBondContact O-N 2.86Å
866	Y	45.8	Very low	46.6	Very low	107 Å²	107	95.2 Å²	95.2	42%	0.42	47%	0.469	S	S	.	.			trans	-96.6	104.7	-169.8	-89.1	-71	0	0	0	113.9	K862 F1094	K862-Y866 HydrophobicContact CB-CD2 4.02Å; K862-Y866 HydrophobicContact CB-CE2 3.8Å; K862-Y866 HydrophobicContact CD-CE2 4.02Å; K862-Y866 HydrophobicContact CG-CE2 3.96Å; K862-Y866 VanDerWaalsContact O-CD2 3.22Å; K862-Y866 WeakPolarHBondContact O-CD2 3.43Å; Y866-F1094 WeakPolarHBondContact O-CE1 3.33Å; Y866-F1094 WeakPolarHBondContact O-CZ 3.39Å
867	S	35.2	Very low	44	Very low	97 Å²	97	103.3 Å²	103.3	68%	0.678	51%	0.511	S	S	*	.			trans	-78.7	133.2	157.9	57.8	0	0	0	0	110.7
868	G	31.4	Very low	41.7	Very low	68 Å²	68	108.5 Å²	108.5	70%	0.701	54%	0.537	S	S	*	.			trans	-165.7	152.1	178.1	0	0	0	0	0	114.6
869	F	24.1	Very low	39.3	Very low	223 Å²	223	107.5 Å²	107.5	98%	0.978	54%	0.544	S	S	*	.			trans	-88.7	127.8	177.5	-61.7	-90.5	0	0	0	111
870	I	25.8	Very low	37	Very low	89 Å²	89	111.6 Å²	111.6	46%	0.456	56%	0.563	S	S	.	*			trans	-101.5	139.9	176.3	-61.1	-179.6	0	0	0	110.3
871	K	23.2	Very low	34.5	Very low	202 Å²	202	113.5 Å²	113.5	88%	0.878	58%	0.577	S	S	*	*			trans	-110.4	103.1	-177.4	-173.2	-178.7	-178	-176.9	0	110.1
872	T	24	Very low	32.5	Very low	129 Å²	129	113.5 Å²	113.5	79%	0.791	58%	0.584	S	S	*	*			trans	-75.3	138.1	-175.6	50.1	0	0	0	0	113.6
873	V	23.1	Very low	30.4	Very low	128 Å²	128	112.3 Å²	112.3	78%	0.776	59%	0.588	S	S	*	*			trans	-121.6	136.7	157	178.9	0	0	0	0	107
874	K	23.7	Very low	28.5	Very low	127 Å²	127	120.3 Å²	120.3	55%	0.552	63%	0.629	S	S	*	*			trans	-101.5	130.7	165.9	-79.9	-171.8	173.3	-173.2	0	108.2	Y876	K874-Y876 HydrophobicContact CD-CE2 3.76Å; K874-Y876 PolarHBondContact NZ-OH 2.88Å
875	E	24.9	Very low	26.7	Very low	189 Å²	189	130.5 Å²	130.5	88%	0.883	67%	0.669	S	S	*	*			trans	-119.9	132.4	153.4	-72.2	-173.3	135.3	0	0	107.8
876	Y	25.5	Very low	25.6	Very low	167 Å²	167	133.8 Å²	133.8	66%	0.655	69%	0.692	S	S	*	*			trans	-99.9	119.6	171.4	-76	-87.9	0	0	0	107.5	K874 I878	K874-Y876 HydrophobicContact CD-CE2 3.76Å; K874-Y876 PolarHBondContact NZ-OH 2.88Å; Y876-I878 PolarHBondContact O-N 2.86Å
877	L	22.3	Very low	24.4	Very low	170 Å²	170	133.6 Å²	133.6	89%	0.89	71%	0.706	S	S	*	*			trans	-75.7	109.8	164.2	-90.5	157.1	0	0	0	108.4
878	I	25.4	Very low	23.8	Very low	147 Å²	147	136.6 Å²	136.6	75%	0.754	71%	0.711	S	S	*	*			trans	-115.4	117.1	162.7	-62.4	179.2	0	0	0	106.4	Y876 E880	Y876-I878 PolarHBondContact O-N 2.86Å; I878-E880 PolarHBondContact O-N 3.5Å
879	N	22.5	Very low	23.4	Very low	143 Å²	143	140.1 Å²	140.1	77%	0.765	71%	0.714	S	S	*	*			trans	-74.4	118.6	170.7	-69.6	-24.1	0	0	0	108.9
880	E	24.8	Very low	23.4	Very low	114 Å²	114	135.7 Å²	135.7	53%	0.533	71%	0.706	S	S	.	*			trans	-168.9	88.2	137.3	-107.7	-178.7	-116.2	0	0	110	I878 M1119	I878-E880 PolarHBondContact O-N 3.5Å; E880-M1119 WeakPolarHBondContact OE2-CA 3.32Å; E880-M1119 PolarHBondContact OE2-N 2.84Å
881	S	22.4	Very low	23.4	Very low	55 Å²	55	136 Å²	136	39%	0.385	72%	0.716	S	S	.	*			trans	11	110.2	134.6	58.5	0	0	0	0	118.9	S1117 E1118	S881-S1117 WeakPolarHBondContact CB-OG 3.02Å; S881-S1117 PolarHBondContact O-OG 2.83Å; S881-S1117 WeakPolarHBondContact OG-CA 3.19Å; S881-E1118 PolarHBondContact OG-N 2.85Å; S881-E1118 VanDerWaalsContact OG-N 3.11Å
882	N	24.7	Very low	23.5	Very low	94 Å²	94	136.1 Å²	136.1	50%	0.503	71%	0.712	S	S	.	*				-159	151.1	128.8	-127.6	-13.1	0	0	0	113.8	S1117 E1118	N882-S1117 WeakPolarHBondContact OD1-CB 3.35Å; N882-S1117 PolarHBondContact OD1-OG 2.82Å; N882-E1118 PolarHBondContact ND2-OE1 3.3Å; N882-E1118 PolarHBondContact ND2-OE2 3.19Å
883	S	22.2	Very low	23.6	Very low	71 Å²	71	137.3 Å²	137.3	50%	0.497	71%	0.708	S	S	.	*			trans	-102	132.1	172.1	68.2	0	0	0	0	110.9	I1116	S883-I1116 VanDerWaalsContact OG-CD1 3.25Å; S883-I1116 WeakPolarHBondContact OG-CD1 3.02Å
884	I	23.2	Very low	23.8	Very low	171 Å²	171	136.5 Å²	136.5	88%	0.877	70%	0.7	S	S	*	*			trans	-155.1	150.2	150.2	-107.1	149.3	0	0	0	109.8
885	Y	21.6	Very low	24	Very low	219 Å²	219	136.5 Å²	136.5	86%	0.859	70%	0.702	S	S	*	*			trans	-83.2	155.5	-170.8	-106.2	-108.8	0	0	0	113.9
886	S	21.4	Very low	24.1	Very low	99 Å²	99	135.7 Å²	135.7	69%	0.692	70%	0.695	S	S	*	*			trans	81.9	120.2	140.5	69.2	0	0	0	0	122.2
887	S	21.6	Very low	24.2	Very low	104 Å²	104	132.3 Å²	132.3	73%	0.727	69%	0.688	S	S	*	*			trans	86.8	161.2	132	78	0	0	0	0	120.7
888	M	21.7	Very low	24.5	Very low	159 Å²	159	129 Å²	129	78%	0.783	67%	0.67	S	S	*	*			trans	71.7	75.9	173.4	-57.6	-59.6	172.9	0	0	117.6
889	D	22.6	Very low	24.6	Very low	142 Å²	142	128.1 Å²	128.1	76%	0.759	67%	0.666	S	S	*	*				45.3	153.1	116.2	-71.1	-54.3	0	0	0	123.3
890	T	24.5	Very low	24.9	Very low	131 Å²	131	128.6 Å²	128.6	80%	0.804	66%	0.662	S	S	*	*			trans	82.3	109.6	165.5	72.9	0	0	0	0	118.7
891	S	25.4	Very low	25.2	Very low	95 Å²	95	127.9 Å²	127.9	66%	0.664	66%	0.662	S	S	*	*				163.5	-10.3	124.3	52.7	0	0	0	0	115.2	E893	S891-E893 PolarHBondContact O-N 2.88Å
892	Y	25.6	Very low	25.5	Very low	205 Å²	205	130.3 Å²	130.3	80%	0.804	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	43.5	-178.8	-86.8	-71.8	0	0	0	116.5
893	E	27.4	Very low	25.8	Very low	153 Å²	153	132 Å²	132	72%	0.715	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-24.1	163.9	-74.9	-139.9	114.8	0	0	113.8	S891 K896 L897	S891-E893 PolarHBondContact O-N 2.88Å; E893-K896 PolarHBondContact O-N 2.76Å; E893-L897 WeakPolarHBondContact O-CD1 3.47Å; E893-L897 PolarHBondContact O-N 2.97Å
894	N	26.7	Very low	26.3	Very low	112 Å²	112	131.9 Å²	131.9	60%	0.599	67%	0.674	S	S	*	*	H	α-helix	trans	-69.5	-42.5	-168.7	-75.1	-28.1	0	0	0	114.2	K896 L897 I898	N894-K896 PolarHBondContact O-N 2.98Å; N894-L897 PolarHBondContact O-N 3.12Å; N894-I898 WeakPolarHBondContact O-CG1 3.43Å; N894-I898 PolarHBondContact O-N 3.19Å
895	E	27	Very low	26.7	Very low	127 Å²	127	127.6 Å²	127.6	59%	0.593	65%	0.653	S	S	*	*	H	α-helix	trans	-66.3	-27.6	-178	-61.5	-172.2	130.8	0	0	112.9	L897 I898 L899	E895-L897 VanDerWaalsContact C-N 3.31Å; E895-I898 PolarHBondContact O-N 3.45Å; E895-L899 PolarHBondContact O-N 2.86Å
896	K	28.3	Very low	27.2	Very low	171 Å²	171	121.1 Å²	121.1	74%	0.743	64%	0.636	S	S	*	*	H	α-helix	trans	-79.4	-11	174.7	-122.1	167.1	-171.9	162.3	0	113.7	E893 N894	E893-K896 PolarHBondContact O-N 2.76Å; N894-K896 PolarHBondContact O-N 2.98Å
897	L	27.9	Very low	27.9	Very low	96 Å²	96	123 Å²	123	50%	0.503	63%	0.632	S	S	.	*	H	α-helix	trans	-91.9	-37.1	164.6	-91.5	83.3	0	0	0	112.3	E893 N894 E895 L899 K900 N901	E893-L897 WeakPolarHBondContact O-CD1 3.47Å; E893-L897 PolarHBondContact O-N 2.97Å; N894-L897 PolarHBondContact O-N 3.12Å; E895-L897 VanDerWaalsContact C-N 3.31Å; L897-L899 PolarHBondContact O-N 3.16Å; L897-K900 WeakPolarHBondContact O-CB 3.38Å; L897-K900 PolarHBondContact O-N 3.43Å; L897-N901 PolarHBondContact O-N 2.98Å
898	I	28.6	Very low	28.7	Very low	100 Å²	100	123.2 Å²	123.2	51%	0.513	62%	0.621	S	S	.	*	H	α-helix	trans	-58.2	-49.6	178.9	-68.6	166.9	0	0	0	110.4	N894 E895 K900 N901 E902	N894-I898 WeakPolarHBondContact O-CG1 3.43Å; N894-I898 PolarHBondContact O-N 3.19Å; E895-I898 PolarHBondContact O-N 3.45Å; I898-K900 PolarHBondContact O-N 2.88Å; I898-K900 VanDerWaalsContact O-N 3.12Å; I898-N901 PolarHBondContact O-N 2.92Å; I898-N901 VanDerWaalsContact O-N 3.09Å; I898-E902 HydrophobicContact CG2-CG 4.14Å; I898-E902 WeakPolarHBondContact O-CB 3.4Å; I898-E902 VanDerWaalsContact O-CG 3.31Å; I898-E902 WeakPolarHBondContact O-CG 3.36Å; I898-E902 PolarHBondContact O-N 3.36Å
899	L	27.5	Very low	29.5	Very low	129 Å²	129	122.8 Å²	122.8	68%	0.675	62%	0.615	S	S	*	*	H	α-helix	trans	-63.8	-17.7	176.7	-76.1	168.1	0	0	0	114.6	E895 L897 L903	E895-L899 PolarHBondContact O-N 2.86Å; L897-L899 PolarHBondContact O-N 3.16Å; L899-L903 WeakPolarHBondContact O-CB 3.19Å; L899-L903 PolarHBondContact O-N 3.34Å
900	K	28.8	Very low	30.2	Very low	154 Å²	154	119.4 Å²	119.4	67%	0.67	60%	0.6	S	S	*	*	H	α-helix	trans	-84.1	-39.6	170.9	-88.5	178.4	173.9	174.2	0	112.4	L897 I898 L903 S904	L897-K900 WeakPolarHBondContact O-CB 3.38Å; L897-K900 PolarHBondContact O-N 3.43Å; I898-K900 PolarHBondContact O-N 2.88Å; I898-K900 VanDerWaalsContact O-N 3.12Å; K900-L903 PolarHBondContact O-N 2.89Å; K900-S904 PolarHBondContact O-N 3.24Å
901	N	29.9	Very low	30.9	Very low	99 Å²	99	117.3 Å²	117.3	53%	0.529	58%	0.583	S	S	.	*	H	α-helix	trans	-71.4	-34.8	176.3	-73.7	-8.7	0	0	0	111.5	L897 I898 S904 N905	L897-N901 PolarHBondContact O-N 2.98Å; I898-N901 PolarHBondContact O-N 2.92Å; I898-N901 VanDerWaalsContact O-N 3.09Å; N901-S904 CarbonylContact O-C 3.44Å; N901-S904 WeakPolarHBondContact O-CB 3.44Å; N901-S904 PolarHBondContact O-N 2.89Å; N901-N905 WeakPolarHBondContact O-CB 3.37Å; N901-N905 PolarHBondContact O-N 2.72Å
902	E	29.1	Very low	31.7	Very low	105 Å²	105	118.6 Å²	118.6	49%	0.491	58%	0.579	S	S	.	*	H	α-helix	trans	-60.9	-47.3	168.2	-74.6	-93.7	103.4	0	0	111.1	I898 S904 N905 V906	I898-E902 HydrophobicContact CG2-CG 4.14Å; I898-E902 WeakPolarHBondContact O-CB 3.4Å; I898-E902 VanDerWaalsContact O-CG 3.31Å; I898-E902 WeakPolarHBondContact O-CG 3.36Å; I898-E902 PolarHBondContact O-N 3.36Å; E902-S904 PolarHBondContact O-N 3.26Å; E902-N905 CarbonylContact O-C 3.53Å; E902-N905 PolarHBondContact O-N 2.94Å; E902-N905 VanDerWaalsContact O-N 3.12Å; E902-V906 WeakPolarHBondContact O-CB 3.46Å; E902-V906 WeakPolarHBondContact O-CG2 3.45Å; E902-V906 PolarHBondContact O-N 3.15Å
903	L	31	Very low	32.2	Very low	131 Å²	131	115.8 Å²	115.8	69%	0.686	57%	0.571	S	S	*	*	H	α-helix	trans	-62.6	-33.4	175.8	-152.4	78.7	0	0	0	112.2	L899 K900 K907	L899-L903 WeakPolarHBondContact O-CB 3.19Å; L899-L903 PolarHBondContact O-N 3.34Å; K900-L903 PolarHBondContact O-N 2.89Å; L903-K907 VanDerWaalsContact O-CB 3.22Å; L903-K907 WeakPolarHBondContact O-CB 3.49Å; L903-K907 PolarHBondContact O-N 3.35Å
904	S	32.4	Very low	32.6	Very low	67 Å²	67	112.6 Å²	112.6	47%	0.469	56%	0.559	S	S	.	*	H	α-helix	trans	-66.6	-46.3	171.2	-168.8	0	0	0	0	111.8	K900 N901 E902 K907 Q908	K900-S904 PolarHBondContact O-N 3.24Å; N901-S904 CarbonylContact O-C 3.44Å; N901-S904 WeakPolarHBondContact O-CB 3.44Å; N901-S904 PolarHBondContact O-N 2.89Å; E902-S904 PolarHBondContact O-N 3.26Å; S904-K907 PolarHBondContact O-N 3.43Å; S904-Q908 WeakPolarHBondContact O-CB 3.26Å; S904-Q908 PolarHBondContact O-N 3.05Å
905	N	32	Very low	33.3	Very low	81 Å²	81	114 Å²	114	43%	0.433	56%	0.56	S	S	.	*	H	α-helix	trans	-67.2	-38.8	178.1	-84.2	-18.7	0	0	0	112.7	N901 E902 Q908 K909	N901-N905 WeakPolarHBondContact O-CB 3.37Å; N901-N905 PolarHBondContact O-N 2.72Å; E902-N905 CarbonylContact O-C 3.53Å; E902-N905 PolarHBondContact O-N 2.94Å; E902-N905 VanDerWaalsContact O-N 3.12Å; N905-Q908 PolarHBondContact O-N 3.19Å; N905-K909 VanDerWaalsContact O-CB 3.28Å; N905-K909 WeakPolarHBondContact O-CB 3.33Å; N905-K909 WeakPolarHBondContact O-CG 3.12Å; N905-K909 PolarHBondContact O-N 3.27Å
906	V	32.8	Very low	33.8	Very low	84 Å²	84	114.5 Å²	114.5	51%	0.509	56%	0.56	S	S	.	*	H	α-helix	trans	-64.3	-47.1	172.8	170.2	0	0	0	0	109.4	E902 Q908 K909 V910	E902-V906 WeakPolarHBondContact O-CB 3.46Å; E902-V906 WeakPolarHBondContact O-CG2 3.45Å; E902-V906 PolarHBondContact O-N 3.15Å; V906-Q908 VanDerWaalsContact C-N 3.33Å; V906-Q908 PolarHBondContact O-N 3.13Å; V906-K909 PolarHBondContact O-N 3.01Å; V906-V910 HydrophobicContact CG1-CG2 4.47Å; V906-V910 WeakPolarHBondContact O-CB 3.38Å; V906-V910 VanDerWaalsContact O-CG2 3.29Å; V906-V910 WeakPolarHBondContact O-CG2 3.2Å; V906-V910 PolarHBondContact O-N 3.44Å
907	K	35.5	Very low	34.1	Very low	137 Å²	137	108.1 Å²	108.1	60%	0.596	54%	0.539	S	S	*	.	H	α-helix	trans	-62.8	-38.8	175.8	-170.3	168.2	-175.6	173.4	0	112.3	L903 S904 V910 D911	L903-K907 VanDerWaalsContact O-CB 3.22Å; L903-K907 WeakPolarHBondContact O-CB 3.49Å; L903-K907 PolarHBondContact O-N 3.35Å; S904-K907 PolarHBondContact O-N 3.43Å; K907-V910 PolarHBondContact O-N 3.12Å; K907-D911 WeakPolarHBondContact O-CB 3.41Å; K907-D911 VanDerWaalsContact O-CG 3.28Å; K907-D911 PolarHBondContact O-N 2.89Å
908	Q	39	Very low	34.4	Very low	109 Å²	109	109.9 Å²	109.9	51%	0.509	54%	0.54	S	S	.	.	H	α-helix	trans	-73	-32.6	178.1	-166.4	171.8	30.2	0	0	112.6	S904 N905 V906 Q912	S904-Q908 WeakPolarHBondContact O-CB 3.26Å; S904-Q908 PolarHBondContact O-N 3.05Å; N905-Q908 PolarHBondContact O-N 3.19Å; V906-Q908 VanDerWaalsContact C-N 3.33Å; V906-Q908 PolarHBondContact O-N 3.13Å; Q908-Q912 VanDerWaalsContact O-CB 3.29Å; Q908-Q912 WeakPolarHBondContact O-CB 3.46Å; Q908-Q912 VanDerWaalsContact O-CG 3.25Å; Q908-Q912 WeakPolarHBondContact O-CG 3.49Å; Q908-Q912 PolarHBondContact O-N 3.3Å
909	K	36.8	Very low	34.8	Very low	151 Å²	151	109.1 Å²	109.1	66%	0.657	54%	0.537	S	S	*	.	H	α-helix	trans	-70.3	-39.4	169.4	-80.8	-179.4	174.5	-179.6	0	111.8	N905 V906 Q912 F913	N905-K909 VanDerWaalsContact O-CB 3.28Å; N905-K909 WeakPolarHBondContact O-CB 3.33Å; N905-K909 WeakPolarHBondContact O-CG 3.12Å; N905-K909 PolarHBondContact O-N 3.27Å; V906-K909 PolarHBondContact O-N 3.01Å; K909-Q912 PolarHBondContact O-N 3.28Å; K909-F913 VanDerWaalsContact O-CB 3.26Å; K909-F913 WeakPolarHBondContact O-CB 3.46Å; K909-F913 PolarHBondContact O-N 3.18Å
910	V	38.6	Very low	35.1	Very low	71 Å²	71	107.7 Å²	107.7	43%	0.43	53%	0.527	S	S	.	.	H	α-helix	trans	-65.6	-42.6	172.5	167.9	0	0	0	0	110.5	V906 K907 F913 N914	V906-V910 HydrophobicContact CG1-CG2 4.47Å; V906-V910 WeakPolarHBondContact O-CB 3.38Å; V906-V910 VanDerWaalsContact O-CG2 3.29Å; V906-V910 WeakPolarHBondContact O-CG2 3.2Å; V906-V910 PolarHBondContact O-N 3.44Å; K907-V910 PolarHBondContact O-N 3.12Å; V910-F913 PolarHBondContact O-N 2.85Å; V910-N914 VanDerWaalsContact O-CB 3.24Å; V910-N914 WeakPolarHBondContact O-CB 3.43Å; V910-N914 PolarHBondContact O-N 2.97Å; V910-N914 PolarHBondContact O-ND2 2.92Å
911	D	39.4	Very low	35.1	Very low	87 Å²	87	106.6 Å²	106.6	47%	0.465	53%	0.526	S	S	.	.	H	α-helix	trans	-67.2	-35	174.2	-74.7	-26.1	0	0	0	111.9	K907 K915	K907-D911 WeakPolarHBondContact O-CB 3.41Å; K907-D911 VanDerWaalsContact O-CG 3.28Å; K907-D911 PolarHBondContact O-N 2.89Å; D911-K915 WeakPolarHBondContact O-CB 3.48Å; D911-K915 PolarHBondContact O-N 3.34Å
912	Q	40.7	Very low	35.3	Very low	121 Å²	121	106.2 Å²	106.2	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-67.4	-42.9	170.9	-81.6	177	-6.9	0	0	112.1	Q908 K909 K915 F916	Q908-Q912 VanDerWaalsContact O-CB 3.29Å; Q908-Q912 WeakPolarHBondContact O-CB 3.46Å; Q908-Q912 VanDerWaalsContact O-CG 3.25Å; Q908-Q912 WeakPolarHBondContact O-CG 3.49Å; Q908-Q912 PolarHBondContact O-N 3.3Å; K909-Q912 PolarHBondContact O-N 3.28Å; Q912-K915 CarbonylContact O-C 3.57Å; Q912-K915 PolarHBondContact O-N 3.15Å; Q912-F916 VanDerWaalsContact O-CB 3.3Å; Q912-F916 WeakPolarHBondContact O-CB 3.45Å; Q912-F916 PolarHBondContact O-N 3.48Å
913	F	36.4	Very low	35.6	Very low	147 Å²	147	108.5 Å²	108.5	65%	0.645	54%	0.535	S	S	*	.	H	α-helix	trans	-63.3	-48.1	176.1	-178.2	-93.7	0	0	0	110.7	K909 V910 K915 F916 A917	K909-F913 VanDerWaalsContact O-CB 3.26Å; K909-F913 WeakPolarHBondContact O-CB 3.46Å; K909-F913 PolarHBondContact O-N 3.18Å; V910-F913 PolarHBondContact O-N 2.85Å; F913-K915 VanDerWaalsContact C-N 3.3Å; F913-K915 PolarHBondContact O-N 2.65Å; F913-F916 PolarHBondContact O-N 3.06Å; F913-F916 VanDerWaalsContact O-N 3.15Å; F913-A917 VanDerWaalsContact O-CB 3.31Å; F913-A917 WeakPolarHBondContact O-CB 3.27Å; F913-A917 PolarHBondContact O-N 3.39Å
914	N	36	Very low	35.5	Very low	85 Å²	85	105 Å²	105	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-59.6	-39.1	173.8	-70	-20.6	0	0	0	111.6	V910 Y918	V910-N914 VanDerWaalsContact O-CB 3.24Å; V910-N914 WeakPolarHBondContact O-CB 3.43Å; V910-N914 PolarHBondContact O-N 2.97Å; V910-N914 PolarHBondContact O-ND2 2.92Å; N914-Y918 WeakPolarHBondContact O-CB 3.47Å; N914-Y918 PolarHBondContact O-N 3.46Å
915	K	40.7	Very low	35.3	Very low	142 Å²	142	111.2 Å²	111.2	62%	0.617	54%	0.543	S	S	*	.	H	α-helix	trans	-73.7	-29.2	176.9	-167.8	174.3	-171.5	177.9	0	112.9	D911 Q912 F913 N919	D911-K915 WeakPolarHBondContact O-CB 3.48Å; D911-K915 PolarHBondContact O-N 3.34Å; Q912-K915 CarbonylContact O-C 3.57Å; Q912-K915 PolarHBondContact O-N 3.15Å; F913-K915 VanDerWaalsContact C-N 3.3Å; F913-K915 PolarHBondContact O-N 2.65Å; K915-N919 VanDerWaalsContact O-CB 3.27Å; K915-N919 WeakPolarHBondContact O-CB 3.24Å; K915-N919 PolarHBondContact O-N 3.16Å; K915-N919 PolarHBondContact O-ND2 3.49Å
916	F	37.6	Very low	35.1	Very low	138 Å²	138	111.8 Å²	111.8	61%	0.605	55%	0.553	S	S	*	*	H	α-helix	trans	-74.7	-46.6	173.2	-172.1	-92.3	0	0	0	111	Q912 F913 Y918 N919 Q920	Q912-F916 VanDerWaalsContact O-CB 3.3Å; Q912-F916 WeakPolarHBondContact O-CB 3.45Å; Q912-F916 PolarHBondContact O-N 3.48Å; F913-F916 PolarHBondContact O-N 3.06Å; F913-F916 VanDerWaalsContact O-N 3.15Å; F916-Y918 PolarHBondContact O-N 2.85Å; F916-N919 CarbonylContact O-C 3.53Å; F916-N919 PolarHBondContact O-N 3.36Å; F916-Q920 HydrophobicContact CD1-CG 4.2Å; F916-Q920 HydrophobicContact CE1-CG 3.96Å; F916-Q920 HydrophobicContact CZ-CG 4.48Å; F916-Q920 WeakPolarHBondContact O-CG 3.48Å; F916-Q920 PolarHBondContact O-N 2.96Å
917	A	35.1	Very low	34.7	Very low	36 Å²	36	113.6 Å²	113.6	30%	0.298	57%	0.57	S	S	.	*	H	α-helix	trans	-58	-46.1	171.4	0	0	0	0	0	111.1	F913 N919 Q920 M921	F913-A917 VanDerWaalsContact O-CB 3.31Å; F913-A917 WeakPolarHBondContact O-CB 3.27Å; F913-A917 PolarHBondContact O-N 3.39Å; A917-N919 PolarHBondContact O-N 3.36Å; A917-Q920 PolarHBondContact O-N 2.88Å; A917-M921 WeakPolarHBondContact O-CB 3.2Å; A917-M921 WeakPolarHBondContact O-CG 3.42Å; A917-M921 PolarHBondContact O-N 2.82Å
918	Y	34.6	Very low	34.3	Very low	133 Å²	133	114.1 Å²	114.1	52%	0.522	58%	0.577	S	S	.	*	H	α-helix	trans	-59.4	-44	173	-174.5	-93.7	0	0	0	112.2	N914 F916 Q920 M921 V922	N914-Y918 WeakPolarHBondContact O-CB 3.47Å; N914-Y918 PolarHBondContact O-N 3.46Å; F916-Y918 PolarHBondContact O-N 2.85Å; Y918-Q920 VanDerWaalsContact C-N 3.32Å; Y918-Q920 PolarHBondContact O-N 3.01Å; Y918-M921 PolarHBondContact O-N 3.16Å; Y918-V922 HydrophobicContact CD1-CG2 4.05Å; Y918-V922 HydrophobicContact CE1-CG2 3.79Å; Y918-V922 WeakPolarHBondContact O-CB 3.27Å; Y918-V922 VanDerWaalsContact O-CG2 3.24Å; Y918-V922 WeakPolarHBondContact O-CG2 3.3Å; Y918-V922 PolarHBondContact O-N 3.31Å
919	N	37.9	Very low	33.6	Very low	84 Å²	84	114.9 Å²	114.9	45%	0.449	59%	0.591	S	S	.	*	H	α-helix	trans	-70.4	-23.9	177.1	-75.8	-14.8	0	0	0	113.8	K915 F916 A917 K923	K915-N919 VanDerWaalsContact O-CB 3.27Å; K915-N919 WeakPolarHBondContact O-CB 3.24Å; K915-N919 PolarHBondContact O-N 3.16Å; K915-N919 PolarHBondContact O-ND2 3.49Å; F916-N919 CarbonylContact O-C 3.53Å; F916-N919 PolarHBondContact O-N 3.36Å; A917-N919 PolarHBondContact O-N 3.36Å; N919-K923 WeakPolarHBondContact O-CG 3.32Å
920	Q	32.9	Very low	33	Very low	99 Å²	99	114.4 Å²	114.4	46%	0.463	60%	0.595	S	S	.	*	H	α-helix	trans	-77	-44.9	169	-71	-76	77.7	0	0	110.6	F916 A917 Y918 V922 K923 S924	F916-Q920 HydrophobicContact CD1-CG 4.2Å; F916-Q920 HydrophobicContact CE1-CG 3.96Å; F916-Q920 HydrophobicContact CZ-CG 4.48Å; F916-Q920 WeakPolarHBondContact O-CG 3.48Å; F916-Q920 PolarHBondContact O-N 2.96Å; A917-Q920 PolarHBondContact O-N 2.88Å; Y918-Q920 VanDerWaalsContact C-N 3.32Å; Y918-Q920 PolarHBondContact O-N 3.01Å; Q920-V922 VanDerWaalsContact C-N 3.26Å; Q920-V922 PolarHBondContact O-N 3.3Å; Q920-K923 WeakPolarHBondContact O-CA 3.37Å; Q920-K923 WeakPolarHBondContact O-CB 3.46Å; Q920-K923 PolarHBondContact O-N 2.86Å; Q920-S924 PolarHBondContact O-N 3.49Å; Q920-S924 VanDerWaalsContact O-N 3.07Å; Q920-S924 PolarHBondContact O-OG 3.41Å
921	M	29.3	Very low	32.4	Very low	132 Å²	132	118.8 Å²	118.8	65%	0.65	61%	0.614	S	S	*	*	H	α-helix	trans	-60.1	-33.2	174.3	-73.6	179.5	75.2	0	0	112.8	A917 Y918 K923 S924	A917-M921 WeakPolarHBondContact O-CB 3.2Å; A917-M921 WeakPolarHBondContact O-CG 3.42Å; A917-M921 PolarHBondContact O-N 2.82Å; Y918-M921 PolarHBondContact O-N 3.16Å; M921-K923 VanDerWaalsContact C-N 3.29Å; M921-S924 VanDerWaalsContact CA-OG 3.31Å; M921-S924 WeakPolarHBondContact CA-OG 3.23Å; M921-S924 PolarHBondContact O-N 2.92Å; M921-S924 PolarHBondContact O-OG 2.93Å
922	V	33.5	Very low	31.6	Very low	90 Å²	90	123.4 Å²	123.4	55%	0.545	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.6	-16.2	175	167.7	0	0	0	0	112.5	Y918 Q920	Y918-V922 HydrophobicContact CD1-CG2 4.05Å; Y918-V922 HydrophobicContact CE1-CG2 3.79Å; Y918-V922 WeakPolarHBondContact O-CB 3.27Å; Y918-V922 VanDerWaalsContact O-CG2 3.24Å; Y918-V922 WeakPolarHBondContact O-CG2 3.3Å; Y918-V922 PolarHBondContact O-N 3.31Å; Q920-V922 VanDerWaalsContact C-N 3.26Å; Q920-V922 PolarHBondContact O-N 3.3Å
923	K	34.9	Very low	30.8	Very low	153 Å²	153	125.7 Å²	125.7	67%	0.665	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-27.1	169.9	-71.6	172.6	179.6	-179.5	0	112.9	N919 Q920 M921	N919-K923 WeakPolarHBondContact O-CG 3.32Å; Q920-K923 WeakPolarHBondContact O-CA 3.37Å; Q920-K923 WeakPolarHBondContact O-CB 3.46Å; Q920-K923 PolarHBondContact O-N 2.86Å; M921-K923 VanDerWaalsContact C-N 3.29Å
924	S	29.6	Very low	30.2	Very low	58 Å²	58	125.8 Å²	125.8	41%	0.406	65%	0.653	S	S	.	*	S	Bend	trans	-84.4	111.3	170.9	53.8	0	0	0	0	110.7	Q920 M921 S926	Q920-S924 PolarHBondContact O-N 3.49Å; Q920-S924 VanDerWaalsContact O-N 3.07Å; Q920-S924 PolarHBondContact O-OG 3.41Å; M921-S924 VanDerWaalsContact CA-OG 3.31Å; M921-S924 WeakPolarHBondContact CA-OG 3.23Å; M921-S924 PolarHBondContact O-N 2.92Å; M921-S924 PolarHBondContact O-OG 2.93Å; S924-S926 PolarHBondContact O-N 3.12Å
925	H	27.5	Very low	29.6	Very low	198 Å²	198	128.7 Å²	128.7	92%	0.917	67%	0.668	S	S	*	*			trans	-73.2	60.3	-178.5	-74.1	-73.5	0	0	0	114
926	S	27.7	Very low	28.8	Very low	93 Å²	93	129.3 Å²	129.3	65%	0.65	68%	0.678	S	S	*	*			trans	-118	119.7	178.1	54.6	0	0	0	0	111.6	S924	S924-S926 PolarHBondContact O-N 3.12Å
927	S	25.4	Very low	28.2	Very low	122 Å²	122	131.9 Å²	131.9	85%	0.853	69%	0.692	S	S	*	*			trans	-105.1	102.8	-166.6	56.3	0	0	0	0	114.3
928	I	27.3	Very low	27.6	Very low	148 Å²	148	139.3 Å²	139.3	76%	0.759	72%	0.718	S	S	*	*			trans	-134.4	137.3	170.3	-59.7	-177.3	0	0	0	108.5
929	P	24.3	Very low	27.2	Very low	124 Å²	124	138.6 Å²	138.6	81%	0.805	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-86	146	-165.3	32.6	-36.4	0	0	0	115.4
930	I	23.6	Very low	26.7	Very low	142 Å²	142	144.6 Å²	144.6	73%	0.728	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-90.7	132.1	-179.1	-59.2	168.8	0	0	0	111.4
931	I	25.5	Very low	26.4	Very low	162 Å²	162	146.4 Å²	146.4	83%	0.831	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-103.5	131.1	162.1	-62.7	179.6	0	0	0	108.9
932	K	22.6	Very low	26.1	Very low	185 Å²	185	143.9 Å²	143.9	80%	0.804	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-72.7	135.4	178.4	-68.3	178.1	176.6	177.8	0	111.3
933	L	24.9	Very low	25.7	Very low	169 Å²	169	147.3 Å²	147.3	89%	0.885	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-101.4	131.9	156.9	-72.2	171.2	0	0	0	109.6
934	N	24	Very low	25.1	Very low	149 Å²	149	148.4 Å²	148.4	80%	0.797	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-91.2	169	171.4	-93.2	-21.8	0	0	0	110.2
935	N	23.9	Very low	24.8	Very low	145 Å²	145	152.3 Å²	152.3	78%	0.775	77%	0.771	S	S	*	*	S	Bend	trans	-59.8	152.8	-178.1	-55.2	-63.7	0	0	0	113.7
936	N	23.7	Very low	24.5	Very low	156 Å²	156	152 Å²	152	83%	0.834	76%	0.764	S	S	*	*	S	Bend	trans	77.7	56.1	163.2	-54.1	-10	0	0	0	118.4
937	E	24.6	Very low	24.3	Very low	192 Å²	192	154.8 Å²	154.8	90%	0.897	77%	0.77	S	S	*	*			trans	-154	137.8	154.2	-114.2	152.4	-142.2	0	0	111.4
938	F	22.6	Very low	24.1	Very low	192 Å²	192	160.1 Å²	160.1	84%	0.842	77%	0.772	S	S	*	*			trans	-99	113.7	174.8	-100.1	-91.8	0	0	0	109	W940	F938-W940 PolarHBondContact O-N 3.18Å
939	P	26.6	Very low	23.8	Very low	117 Å²	117	157.6 Å²	157.6	76%	0.76	77%	0.765	S	S	*	*			trans	-81.8	101.4	179.7	30.9	-32.7	0	0	0	111.9
940	W	26.4	Very low	23.7	Very low	211 Å²	211	160.8 Å²	160.8	80%	0.799	77%	0.771	S	S	*	*			trans	-78.9	114	166.2	-80.6	60	0	0	0	110.8	F938	F938-W940 PolarHBondContact O-N 3.18Å
941	I	25.8	Very low	23.7	Very low	137 Å²	137	160.8 Å²	160.8	70%	0.703	77%	0.773	S	S	*	*			trans	-146.2	123.9	168.3	-53.7	179.6	0	0	0	104.4
942	N	24.1	Very low	23.6	Very low	79 Å²	79	162.6 Å²	162.6	42%	0.422	77%	0.774	S	S	.	*			cis	-147.2	37.1	35.5	-142.3	-4.9	0	0	0	115.6	R944	N942-R944 VanDerWaalsContact C-N 3.3Å; N942-R944 PolarHBondContact O-N 3.37Å; N942-R944 PolarHBondContact OD1-NE 3.02Å
943	E	25.2	Very low	23.6	Very low	162 Å²	162	161.8 Å²	161.8	76%	0.757	78%	0.777	S	S	*	*			trans	-65.3	76.4	178.4	-71.2	-158.3	136.6	0	0	114	I945	E943-I945 PolarHBondContact O-N 3.02Å; E943-I945 VanDerWaalsContact O-N 3.12Å
944	R	21.6	Very low	23.4	Very low	176 Å²	176	162.8 Å²	162.8	66%	0.664	78%	0.775	S	S	*	*			trans	-83.1	85.3	-180	-69.8	-171.4	-178.5	-160	-2.7	112.9	N942 Y946	N942-R944 VanDerWaalsContact C-N 3.3Å; N942-R944 PolarHBondContact O-N 3.37Å; N942-R944 PolarHBondContact OD1-NE 3.02Å; R944-Y946 HydrophobicContact CB-CD2 4.45Å; R944-Y946 HydrophobicContact CB-CE2 4.28Å; R944-Y946 PolarHBondContact O-N 3.03Å; R944-Y946 VanDerWaalsContact O-N 3.16Å
945	I	23	Very low	23.3	Very low	140 Å²	140	161.9 Å²	161.9	72%	0.718	77%	0.77	S	S	*	*			trans	-68.9	108	160.7	-50.7	178.4	0	0	0	108.7	E943 L947	E943-I945 PolarHBondContact O-N 3.02Å; E943-I945 VanDerWaalsContact O-N 3.12Å; I945-L947 HydrophobicContact CG2-CG 3.94Å; I945-L947 PolarHBondContact O-N 3.28Å
946	Y	22	Very low	23.3	Very low	192 Å²	192	161.7 Å²	161.7	75%	0.753	76%	0.764	S	S	*	*			trans	-74.6	69	170.6	-85.8	-87	0	0	0	111.6	R944 R948	R944-Y946 HydrophobicContact CB-CD2 4.45Å; R944-Y946 HydrophobicContact CB-CE2 4.28Å; R944-Y946 PolarHBondContact O-N 3.03Å; R944-Y946 VanDerWaalsContact O-N 3.16Å; Y946-R948 VanDerWaalsContact C-N 3.27Å; Y946-R948 PolarHBondContact O-N 2.79Å
947	L	22.4	Very low	23.2	Very low	151 Å²	151	164.5 Å²	164.5	79%	0.791	76%	0.763	S	S	*	*			trans	-67.6	88.3	160.8	-76.9	175.7	0	0	0	108.8	I945 P949	I945-L947 HydrophobicContact CG2-CG 3.94Å; I945-L947 PolarHBondContact O-N 3.28Å; L947-P949 VanDerWaalsContact O-CD 3.23Å; L947-P949 WeakPolarHBondContact O-CD 3.39Å
948	R	21.3	Very low	23.1	Very low	234 Å²	234	162 Å²	162	88%	0.883	76%	0.756	S	S	*	*			trans	-60.9	117.5	174.8	-168	-177.8	-163	177.5	7.1	108.9	Y946 M950	Y946-R948 VanDerWaalsContact C-N 3.27Å; Y946-R948 PolarHBondContact O-N 2.79Å; R948-M950 PolarHBondContact O-N 2.68Å
949	P	21.8	Very low	23.2	Very low	94 Å²	94	158.8 Å²	158.8	61%	0.61	76%	0.757	S	S	*	*			trans	-66.9	127	-177.4	-21.4	33.8	0	0	0	111.1	L947 N951	L947-P949 VanDerWaalsContact O-CD 3.23Å; L947-P949 WeakPolarHBondContact O-CD 3.39Å; P949-N951 HydrophobicContact CB-CB 4.23Å; P949-N951 PolarHBondContact O-N 2.87Å
950	M	21.1	Very low	23	Very low	192 Å²	192	159.7 Å²	159.7	95%	0.946	76%	0.756	S	S	*	*			trans	-71	67	162	-104.1	-66.7	-165.2	0	0	109.3	R948	R948-M950 PolarHBondContact O-N 2.68Å
951	N	24	Very low	22.9	Very low	141 Å²	141	156.9 Å²	156.9	75%	0.754	75%	0.752	S	S	*	*			trans	-86.6	117.3	-174.7	-113	-9.6	0	0	0	110.9	P949 I953	P949-N951 HydrophobicContact CB-CB 4.23Å; P949-N951 PolarHBondContact O-N 2.87Å; N951-I953 PolarHBondContact O-N 3.13Å
952	K	23	Very low	22.9	Very low	200 Å²	200	157.3 Å²	157.3	87%	0.87	75%	0.75	S	S	*	*			trans	-59.5	120.3	179.9	-60.8	167.9	-178.6	174.6	0	110.8
953	I	23.4	Very low	22.8	Very low	168 Å²	168	160.4 Å²	160.4	86%	0.862	77%	0.767	S	S	*	*			trans	-118.3	78.3	156	-54.9	-176	0	0	0	108.3	N951	N951-I953 PolarHBondContact O-N 3.13Å
954	F	20.8	Very low	22.8	Very low	190 Å²	190	159.5 Å²	159.5	83%	0.833	77%	0.767	S	S	*	*			trans	-102.7	111.6	158.2	-132.4	-84.9	0	0	0	105.8
955	N	22.8	Very low	22.9	Very low	131 Å²	131	155.2 Å²	155.2	70%	0.701	76%	0.764	S	S	*	*			trans	165.7	155.1	139	-86.1	-26.5	0	0	0	115.2
956	H	24	Very low	23	Very low	140 Å²	140	157.4 Å²	157.4	65%	0.648	77%	0.768	S	S	*	*			trans	70.5	87.6	158.2	-68.6	-56.1	0	0	0	121.9
957	W	21.1	Very low	23	Very low	215 Å²	215	152.8 Å²	152.8	81%	0.814	76%	0.764	S	S	*	*				86.7	115.3	107.9	-78.9	19.4	0	0	0	121
958	N	22.3	Very low	23.1	Very low	141 Å²	141	154 Å²	154	75%	0.754	77%	0.77	S	S	*	*				40.8	105	128.2	-61.3	3.3	0	0	0	119.5
959	S	24.5	Very low	23.3	Very low	123 Å²	123	146.2 Å²	146.2	86%	0.86	76%	0.762	S	S	*	*				-176.3	159.3	113.1	-78.4	0	0	0	0	109.7
960	N	22.6	Very low	23.4	Very low	137 Å²	137	149.8 Å²	149.8	73%	0.733	78%	0.775	S	S	*	*			cis	-168.5	160.6	-39.8	-154.5	18.8	0	0	0	105.2
961	E	24.4	Very low	23.9	Very low	152 Å²	152	145.2 Å²	145.2	71%	0.71	76%	0.76	S	S	*	*			trans	66.8	155	166.7	-53.7	-168.3	120.3	0	0	117.2
962	Q	24.9	Very low	23.9	Very low	145 Å²	145	144.9 Å²	144.9	68%	0.678	76%	0.758	S	S	*	*			cis	-148.7	123.1	-23.4	-107	175.3	47	0	0	105.5
963	L	23.1	Very low	24	Very low	145 Å²	145	141.8 Å²	141.8	76%	0.759	75%	0.75	S	S	*	*				65.4	135.3	93.1	-86.1	170.2	0	0	0	117.2
964	N	24.1	Very low	24.1	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	74%	0.739	S	S	*	*			trans	78.8	143.3	165.7	-54.9	-40	0	0	0	118.6
965	S	24	Very low	24.3	Very low	86 Å²	86	136 Å²	136	60%	0.601	73%	0.733	S	S	*	*			cis	-171.4	162	-20.8	62.8	0	0	0	0	111.7
966	K	24.6	Very low	24.3	Very low	185 Å²	185	136.5 Å²	136.5	80%	0.804	74%	0.735	S	S	*	*			trans	67.5	112.7	158.3	-67.5	168	-177.3	176.6	0	116.9
967	S	23.8	Very low	24.5	Very low	96 Å²	96	135 Å²	135	67%	0.671	74%	0.74	S	S	*	*			cis	96.1	149.8	48.5	69.2	0	0	0	0	113.8
968	I	24.4	Very low	24.7	Very low	177 Å²	177	130.7 Å²	130.7	91%	0.908	73%	0.733	S	S	*	*			trans	86.3	130.7	179.1	-50.5	156	0	0	0	112.7
969	G	23.9	Very low	24.9	Very low	70 Å²	70	130.1 Å²	130.1	72%	0.722	73%	0.729	S	S	*	*			cis	-173.1	150.2	-4.4	0	0	0	0	0	115.7
970	L	25.4	Very low	24.9	Very low	169 Å²	169	129.9 Å²	129.9	89%	0.885	72%	0.717	S	S	*	*			trans	-58.2	177.6	164.9	-92.5	154.2	0	0	0	113.6
971	P	31.7	Very low	25.1	Very low	96 Å²	96	128.9 Å²	128.9	62%	0.623	71%	0.712	S	S	*	*			cis	-146.2	-173.4	2.4	31.9	-6.6	0	0	0	118.5
972	N	24.4	Very low	25.2	Very low	133 Å²	133	127.7 Å²	127.7	71%	0.711	71%	0.707	S	S	*	*				97.4	149.6	121.3	-100.7	-1	0	0	0	125.9
973	I	24.5	Very low	25.4	Very low	136 Å²	136	127.5 Å²	127.5	70%	0.697	71%	0.705	S	S	*	*			trans	74.7	137	142.5	-73.5	164.8	0	0	0	116.8
974	T	25	Very low	25.5	Very low	106 Å²	106	125.4 Å²	125.4	65%	0.65	70%	0.695	S	S	*	*			cis	-170.4	178.2	-8.6	32.7	0	0	0	0	108.1
975	N	24.5	Very low	25.6	Very low	129 Å²	129	125.4 Å²	125.4	69%	0.69	69%	0.69	S	S	*	*			cis	-168.5	164.4	-20	-107.8	-3.4	0	0	0	110.1
976	L	23.8	Very low	25.6	Very low	143 Å²	143	129.3 Å²	129.3	75%	0.749	70%	0.699	S	S	*	*			trans	66.9	160.4	148.9	-72.6	160.7	0	0	0	117.3
977	S	27.1	Very low	25.6	Very low	107 Å²	107	123.7 Å²	123.7	75%	0.748	69%	0.693	S	S	*	*			cis	-165.8	163.7	1.5	26.7	0	0	0	0	109.9
978	N	25.2	Very low	25.6	Very low	125 Å²	125	125.2 Å²	125.2	67%	0.668	70%	0.698	S	S	*	*			cis	-178.6	174.9	-23.5	-164.7	7.1	0	0	0	108.1
979	I	26.6	Very low	25.6	Very low	130 Å²	130	123.5 Å²	123.5	67%	0.667	69%	0.69	S	S	*	*			trans	70.5	133.1	156.4	-70.1	157.8	0	0	0	117.4
980	N	25.8	Very low	25.7	Very low	117 Å²	117	125.4 Å²	125.4	63%	0.626	68%	0.683	S	S	*	*			cis	-171.3	158.6	-9.1	-110.2	2.5	0	0	0	111.9
981	N	26.5	Very low	25.7	Very low	116 Å²	116	121.5 Å²	121.5	62%	0.62	67%	0.67	S	S	*	*			trans	68.4	146.3	142.3	-64.9	7.7	0	0	0	121
982	Q	26.3	Very low	25.3	Very low	128 Å²	128	121.7 Å²	121.7	60%	0.598	67%	0.666	S	S	*	*			cis	-164.3	149.7	-8.3	-119	167.6	-48.9	0	0	111.9
983	H	27.9	Very low	25.3	Very low	140 Å²	140	124.7 Å²	124.7	65%	0.648	67%	0.669	S	S	*	*			trans	64.8	145.7	149.9	-64.7	-42.3	0	0	0	119.3
984	N	25.5	Very low	25.2	Very low	102 Å²	102	124.5 Å²	124.5	55%	0.545	67%	0.669	S	S	.	*			cis	-167	160.6	-7.4	-118.8	3.7	0	0	0	113
985	H	27.4	Very low	25.1	Very low	142 Å²	142	124.1 Å²	124.1	66%	0.657	67%	0.671	S	S	*	*			trans	61.2	144.1	153.1	-61.6	-51.7	0	0	0	118.8
986	E	24.1	Very low	25	Very low	168 Å²	168	126.4 Å²	126.4	79%	0.785	68%	0.682	S	S	*	*			cis	-165.4	166.3	-18.1	-135.1	158.1	-133.4	0	0	110.3
987	G	23.7	Very low	25	Very low	67 Å²	67	124.3 Å²	124.3	69%	0.691	68%	0.679	S	S	*	*			trans	119.4	82	171.1	0	0	0	0	0	115
988	V	24.3	Very low	24.8	Very low	128 Å²	128	125.7 Å²	125.7	78%	0.776	68%	0.683	S	S	*	*				67.1	122.2	62	-178.5	0	0	0	0	111.4
989	I	25.2	Very low	24.7	Very low	142 Å²	142	129.5 Å²	129.5	73%	0.728	69%	0.694	S	S	*	*			cis	-159.3	158.3	-5.1	-122.5	179.9	0	0	0	106.6
990	D	25.4	Very low	24.5	Very low	109 Å²	109	126.6 Å²	126.6	58%	0.583	70%	0.695	S	S	*	*			cis	-134.1	-174.2	-1.8	-118.9	-26.6	0	0	0	106.9
991	S	24.5	Very low	24.3	Very low	88 Å²	88	129.2 Å²	129.2	62%	0.615	71%	0.708	S	S	*	*			cis	67	138.3	42.3	-28.1	0	0	0	0	113.7
992	N	23.1	Very low	24.2	Very low	100 Å²	100	132.5 Å²	132.5	54%	0.535	72%	0.717	S	S	.	*				-176.1	156.6	50.1	-107.5	-46.1	0	0	0	112
993	Y	24.4	Very low	24	Very low	196 Å²	196	134.9 Å²	134.9	77%	0.769	73%	0.725	S	S	*	*			trans	58.2	151.4	150.1	-58.6	-43.8	0	0	0	121.7
994	D	22.5	Very low	23.9	Very low	131 Å²	131	137 Å²	137	70%	0.701	74%	0.735	S	S	*	*			cis	-163	173.9	-35.3	-147	-32.3	0	0	0	108.7
995	S	23.4	Very low	24	Very low	99 Å²	99	139.5 Å²	139.5	69%	0.692	75%	0.747	S	S	*	*			trans	-63.6	129.9	169.4	62.3	0	0	0	0	112.9
996	L	22.4	Very low	23.9	Very low	177 Å²	177	138.8 Å²	138.8	93%	0.927	75%	0.748	S	S	*	*			trans	-162	161.6	161	-112.4	160.7	0	0	0	111.8
997	S	24.3	Very low	23.8	Very low	98 Å²	98	138.2 Å²	138.2	69%	0.685	75%	0.745	S	S	*	*			trans	-131.2	-177.2	-177	65.3	0	0	0	0	111.2
998	V	21.5	Very low	24	Very low	136 Å²	136	144.8 Å²	144.8	82%	0.824	75%	0.754	S	S	*	*			trans	95.3	144.7	171.8	-170.9	0	0	0	0	116.4
999	K	23.2	Very low	24.2	Very low	206 Å²	206	144.1 Å²	144.1	90%	0.896	76%	0.755	S	S	*	*			trans	-71.2	143.1	-170.2	-59.9	158.8	174.4	170.5	0	114.6
1000	G	23.3	Very low	24.1	Very low	68 Å²	68	145 Å²	145	70%	0.701	76%	0.761	S	S	*	*			trans	159.7	158.7	152.8	0	0	0	0	0	113.1
1001	I	22.2	Very low	24	Very low	172 Å²	172	149.3 Å²	149.3	88%	0.882	78%	0.775	S	S	*	*			cis	-151.5	168	-10.5	-108.3	162.2	0	0	0	108.7
1002	F	23.1	Very low	24.2	Very low	185 Å²	185	153.2 Å²	153.2	81%	0.811	79%	0.788	S	S	*	*			trans	-66.1	158.8	-171.3	-88.9	-90.6	0	0	0	118.6
1003	K	23.7	Very low	24.2	Very low	179 Å²	179	157.8 Å²	157.8	78%	0.778	80%	0.803	S	S	*	*			trans	72.9	123.3	142.7	-82.4	172.7	177.3	-178	0	120.7
1004	H	25	Very low	24.3	Very low	184 Å²	184	153.3 Å²	153.3	85%	0.852	80%	0.8	S	S	*	*				177.1	144.6	129.6	-98.1	-65.7	0	0	0	106.8
1005	I	27.1	Very low	24.6	Very low	155 Å²	155	154.5 Å²	154.5	80%	0.795	81%	0.807	S	S	*	*			cis	-138.1	161.7	7.5	-93	147.1	0	0	0	110
1006	D	24.8	Very low	24.7	Very low	127 Å²	127	156.8 Å²	156.8	68%	0.679	81%	0.811	S	S	*	*			trans	-114.2	176	-178.6	-154.3	-40.4	0	0	0	111.6
1007	H	23.7	Very low	25.2	Very low	155 Å²	155	154.3 Å²	154.3	72%	0.718	81%	0.805	S	S	*	*			trans	79.6	102.8	162.1	-55.2	-22.5	0	0	0	121.2
1008	K	26.7	Very low	25.3	Very low	206 Å²	206	154.9 Å²	154.9	90%	0.896	81%	0.805	S	S	*	*				173.9	142.3	116.9	-92.5	160	-176.1	175.1	0	109.8
1009	S	28.1	Very low	25.6	Very low	113 Å²	113	153.9 Å²	153.9	79%	0.79	79%	0.794	S	S	*	*			cis	-157.6	145	-8.7	43.7	0	0	0	0	111.3
1010	N	23	Very low	26.1	Very low	161 Å²	161	152 Å²	152	86%	0.861	79%	0.786	S	S	*	*			trans	-75.8	136.4	175.5	-72.9	-67.2	0	0	0	112.6
1011	K	25.1	Very low	26.2	Very low	199 Å²	199	156.9 Å²	156.9	87%	0.865	79%	0.791	S	S	*	*			trans	176.1	107.5	133.8	-103.6	174.7	-178.1	-178.5	0	113.5
1012	L	27.8	Very low	26.4	Very low	170 Å²	170	154 Å²	154	89%	0.89	79%	0.786	S	S	*	*				174.7	129.4	108.2	-95.5	159.2	0	0	0	110.8
1013	K	23.8	Very low	26.6	Very low	196 Å²	196	152.6 Å²	152.6	85%	0.852	78%	0.779	S	S	*	*			trans	-100.7	152.4	166.5	-62.3	178.2	177.6	-178.8	0	107.9
1014	S	25.3	Very low	26.7	Very low	102 Å²	102	152.7 Å²	152.7	71%	0.713	78%	0.776	S	S	*	*				170.2	156.9	107.3	48.8	0	0	0	0	114.3
1015	N	29.3	Very low	26.7	Very low	156 Å²	156	151.2 Å²	151.2	83%	0.834	77%	0.77	S	S	*	*			trans	84.4	120.1	158.8	-58.7	-15.5	0	0	0	120.1
1016	L	26.4	Very low	26.6	Very low	148 Å²	148	151.1 Å²	151.1	78%	0.775	77%	0.766	S	S	*	*			trans	-94.5	-174.1	175.7	-134.1	76.8	0	0	0	108.4	T1018	L1016-T1018 HydrophobicContact CD2-CG2 4.12Å
1017	P	31.3	Very low	26.7	Very low	124 Å²	124	151 Å²	151	81%	0.805	77%	0.77	S	S	*	*			cis	-140.2	170.1	45.5	35.9	-13.4	0	0	0	118
1018	T	27.2	Very low	26.6	Very low	111 Å²	111	152.4 Å²	152.4	68%	0.681	77%	0.774	S	S	*	*			trans	-84.6	163.9	174.2	49.2	0	0	0	0	113.1	L1016	L1016-T1018 HydrophobicContact CD2-CG2 4.12Å
1019	D	28.6	Very low	26.5	Very low	114 Å²	114	154.2 Å²	154.2	61%	0.61	78%	0.775	S	S	*	*				-161.9	149.6	118.9	-139.3	7.8	0	0	0	116.3
1020	K	31.9	Very low	26.2	Very low	167 Å²	167	156.7 Å²	156.7	73%	0.726	77%	0.774	S	S	*	*			trans	60.8	152.9	160.1	-68	156.1	-178.7	127	0	121.5
1021	Q	25.3	Very low	26.2	Very low	171 Å²	171	157.2 Å²	157.2	80%	0.799	77%	0.771	S	S	*	*				176.1	153.7	-52.6	-105.5	-174.9	2.5	0	0	109.6
1022	S	27	Very low	25.9	Very low	111 Å²	111	153 Å²	153	78%	0.776	77%	0.766	S	S	*	*			trans	67.8	142.9	172.5	76.1	0	0	0	0	115.8
1023	K	27.3	Very low	25.7	Very low	155 Å²	155	153 Å²	153	67%	0.674	76%	0.76	S	S	*	*			cis	-161.1	170.2	-1.9	-116.3	171.6	-180	-164.1	0	107.5
1024	Y	26.6	Very low	25.5	Very low	182 Å²	182	150 Å²	150	71%	0.714	76%	0.758	S	S	*	*			cis	-151.3	-164.1	7	-137.2	-25.6	0	0	0	111.1
1025	H	24.6	Very low	25.5	Very low	153 Å²	153	152.7 Å²	152.7	71%	0.708	76%	0.763	S	S	*	*			trans	-135.4	163	177.1	-86.2	-134.3	0	0	0	108.1
1026	E	25.5	Very low	25.1	Very low	153 Å²	153	150.2 Å²	150.2	72%	0.715	76%	0.758	S	S	*	*			cis	-136.5	-128.9	0.1	-140.2	166.3	-95.4	0	0	110.7
1027	T	26.9	Very low	24.9	Very low	124 Å²	124	150.4 Å²	150.4	76%	0.761	76%	0.76	S	S	*	*			cis	-159.9	157.7	6	-33.6	0	0	0	0	110
1028	K	21.7	Very low	24.6	Very low	185 Å²	185	153.6 Å²	153.6	80%	0.804	76%	0.763	S	S	*	*			trans	-82.3	154.5	166.9	-66.6	-176.2	177.8	-173.7	0	112.8
1029	R	23.4	Very low	24.4	Very low	244 Å²	244	155.6 Å²	155.6	92%	0.921	77%	0.765	S	S	*	*			trans	-159.4	138.3	132.2	-122.6	173.3	-172.5	155.5	4.4	113
1030	E	21.4	Very low	24.2	Very low	165 Å²	165	157.7 Å²	157.7	77%	0.771	78%	0.776	S	S	*	*			trans	-78.7	148.2	165.2	-58.5	118.8	155.6	0	0	110.4
1031	Q	23.7	Very low	23.7	Very low	172 Å²	172	153 Å²	153	80%	0.804	78%	0.775	S	S	*	*			trans	-153.6	108.5	151.2	-124.1	170.9	6.4	0	0	110.9	F1033	Q1031-F1033 HydrophobicContact CG-CD2 4.47Å; Q1031-F1033 HydrophobicContact CG-CE2 4.09Å
1032	S	19.9	Very low	23.6	Very low	109 Å²	109	149.9 Å²	149.9	76%	0.762	77%	0.773	S	S	*	*			trans	-75.7	136.5	166	44	0	0	0	0	109.8
1033	F	22.9	Very low	23.3	Very low	172 Å²	172	150.7 Å²	150.7	75%	0.754	77%	0.773	S	S	*	*			trans	-138.4	107.5	164.5	-92.9	-73.7	0	0	0	111.2	Q1031	Q1031-F1033 HydrophobicContact CG-CD2 4.47Å; Q1031-F1033 HydrophobicContact CG-CE2 4.09Å
1034	T	20.2	Very low	23	Very low	133 Å²	133	150.6 Å²	150.6	82%	0.816	77%	0.772	S	S	*	*			trans	-80.2	129.7	163.6	-45.4	0	0	0	0	108.4
1035	I	23.5	Very low	22.9	Very low	157 Å²	157	151 Å²	151	81%	0.805	77%	0.773	S	S	*	*			trans	-128.9	130.1	161.4	-62.5	-176.6	0	0	0	107.5
1036	S	21.8	Very low	22.7	Very low	105 Å²	105	148.2 Å²	148.2	73%	0.734	77%	0.772	S	S	*	*			trans	-93.2	161.3	-172.9	52.2	0	0	0	0	113.3
1037	N	22.1	Very low	22.6	Very low	152 Å²	152	145 Å²	145	81%	0.813	77%	0.766	S	S	*	*			trans	-30.7	141.7	172.9	-54.9	-15.3	0	0	0	115.9
1038	H	25.7	Very low	22.4	Very low	190 Å²	190	147.8 Å²	147.8	88%	0.88	77%	0.77	S	S	*	*			trans	-144.5	158	136.2	-115.5	-80.1	0	0	0	111.2
1039	Q	22.6	Very low	22.6	Very low	153 Å²	153	146.2 Å²	146.2	72%	0.715	77%	0.769	S	S	*	*			trans	-99.1	171.5	-167.1	-55.2	163.1	-65.9	0	0	113.4
1040	N	23.3	Very low	22.7	Very low	158 Å²	158	142.7 Å²	142.7	85%	0.845	76%	0.763	S	S	*	*			trans	72.8	159.6	159.1	-52.2	-29.7	0	0	0	117
1041	G	22.5	Very low	22.9	Very low	69 Å²	69	141.5 Å²	141.5	71%	0.711	76%	0.757	S	S	*	*			trans	130.5	38.8	159.1	0	0	0	0	0	119.8
1042	S	22.3	Very low	23.1	Very low	106 Å²	106	141.5 Å²	141.5	74%	0.741	76%	0.763	S	S	*	*			trans	21.3	121.9	143.6	61.3	0	0	0	0	121.7
1043	V	21.7	Very low	23.3	Very low	128 Å²	128	142.5 Å²	142.5	78%	0.776	76%	0.756	S	S	*	*				78.6	123.6	122.5	174.3	0	0	0	0	121.2
1044	K	21.5	Very low	23.4	Very low	152 Å²	152	142.6 Å²	142.6	66%	0.661	76%	0.763	S	S	*	*			trans	83.6	138.3	148.3	-91.2	168.6	173.5	-173	0	123
1045	Y	23.2	Very low	23.5	Very low	190 Å²	190	141.7 Å²	141.7	75%	0.745	75%	0.753	S	S	*	*			trans	68	149.6	151.3	-61.3	-41.4	0	0	0	119.6
1046	S	21.9	Very low	23.7	Very low	96 Å²	96	141.2 Å²	141.2	67%	0.671	75%	0.75	S	S	*	*			cis	-168.9	173.9	-30.1	-148.3	0	0	0	0	111.4
1047	S	23.1	Very low	23.9	Very low	85 Å²	85	143.1 Å²	143.1	59%	0.594	75%	0.752	S	S	*	*			trans	61.1	112.8	145.9	59.8	0	0	0	0	123.5
1048	Q	22.7	Very low	24	Very low	183 Å²	183	145.3 Å²	145.3	86%	0.855	75%	0.754	S	S	*	*				82.1	169.9	122	-68.2	170.4	-32.6	0	0	121.5
1049	I	24.9	Very low	24	Very low	151 Å²	151	145.7 Å²	145.7	77%	0.774	75%	0.753	S	S	*	*			trans	82.7	126.6	178	-56.4	172.2	0	0	0	114.8
1050	E	25.5	Very low	24.1	Very low	170 Å²	170	144.8 Å²	144.8	79%	0.794	76%	0.758	S	S	*	*			cis	-152.4	139.1	-14	-116.8	170.4	-167.4	0	0	112.1
1051	H	25.5	Very low	24.3	Very low	141 Å²	141	140.8 Å²	140.8	65%	0.653	75%	0.754	S	S	*	*			trans	28.3	128.6	132.3	-111.4	69.8	0	0	0	122.9
1052	N	28	Very low	24.3	Very low	172 Å²	172	144.5 Å²	144.5	92%	0.92	76%	0.758	S	S	*	*				-156	119.1	128.3	-104.3	-50.3	0	0	0	110.3
1053	Q	24.7	Very low	24.5	Very low	130 Å²	130	148.2 Å²	148.2	61%	0.607	76%	0.763	S	S	*	*			trans	-110.1	155.4	174.3	-67	-175.9	-10.1	0	0	110.2	L1055	Q1053-L1055 HydrophobicContact CB-CD1 4.45Å
1054	L	24.6	Very low	24.6	Very low	174 Å²	174	151.4 Å²	151.4	91%	0.911	77%	0.766	S	S	*	*			trans	-144.5	133.5	140.4	-137.3	97.3	0	0	0	110.8
1055	L	22.7	Very low	24.8	Very low	114 Å²	114	152.4 Å²	152.4	60%	0.597	77%	0.774	S	S	*	*			trans	-79.9	175.5	171.9	-78.8	64.9	0	0	0	108.6	Q1053	Q1053-L1055 HydrophobicContact CB-CD1 4.45Å
1056	I	27.3	Very low	24.9	Very low	147 Å²	147	149.5 Å²	149.5	75%	0.754	77%	0.771	S	S	*	*				-170.4	124.2	67.9	-79.8	175.6	0	0	0	111.8
1057	N	26.3	Very low	25.2	Very low	144 Å²	144	150.8 Å²	150.8	77%	0.77	77%	0.77	S	S	*	*			trans	49.1	140.6	141.6	-58.6	-21.4	0	0	0	125.6
1058	K	24.5	Very low	25.3	Very low	199 Å²	199	152.9 Å²	152.9	87%	0.865	78%	0.775	S	S	*	*			trans	-62.1	149.6	162.7	-53.3	167.6	176.2	178.7	0	113.3
1059	K	25.8	Very low	25.6	Very low	197 Å²	197	150.2 Å²	150.2	86%	0.857	77%	0.766	S	S	*	*				175.8	130.5	110.7	-100.4	-175.5	175.6	-174.8	0	115.5
1060	V	24.1	Very low	25.7	Very low	135 Å²	135	148.9 Å²	148.9	82%	0.818	76%	0.761	S	S	*	*			trans	30.7	124	131.1	-173.7	0	0	0	0	119.6
1061	G	26.7	Very low	25.7	Very low	73 Å²	73	147.1 Å²	147.1	75%	0.753	76%	0.757	S	S	*	*			trans	-173.8	113.3	161.9	0	0	0	0	0	113.6
1062	N	23.6	Very low	25.8	Very low	148 Å²	148	148.3 Å²	148.3	79%	0.791	77%	0.768	S	S	*	*			trans	-76.4	143.4	-174.4	-55.4	-22.4	0	0	0	113.7
1063	Q	26.4	Very low	25.6	Very low	184 Å²	184	151 Å²	151	86%	0.86	77%	0.766	S	S	*	*				171.7	126	121	-90.4	164.4	6.7	0	0	107.9
1064	K	23.7	Very low	25.7	Very low	194 Å²	194	151.4 Å²	151.4	84%	0.843	78%	0.777	S	S	*	*				78.1	150	64.6	-103.1	-156.7	173.1	-156.4	0	114
1065	E	26	Very low	25.7	Very low	174 Å²	174	146.6 Å²	146.6	81%	0.813	76%	0.762	S	S	*	*			trans	73.1	139.8	-175.1	-59.9	178.9	-163.3	0	0	116
1066	D	25.5	Very low	25.9	Very low	128 Å²	128	147.6 Å²	147.6	68%	0.684	77%	0.768	S	S	*	*			cis	-175.7	174.5	-42.5	-104	-5.6	0	0	0	107.7
1067	N	26.8	Very low	25.9	Very low	124 Å²	124	148.9 Å²	148.9	66%	0.663	77%	0.771	S	S	*	*			trans	66.9	94.6	154.1	-67.6	-46.9	0	0	0	119.6
1068	N	27.2	Very low	26	Very low	129 Å²	129	151.5 Å²	151.5	69%	0.69	78%	0.776	S	S	*	*				97.5	143.9	107.1	-69	-17.4	0	0	0	122.1
1069	N	26.9	Very low	26.1	Very low	126 Å²	126	147.5 Å²	147.5	67%	0.674	76%	0.763	S	S	*	*			trans	79.7	94.1	144.4	-69.7	-0.8	0	0	0	119.8
1070	N	27.1	Very low	26.3	Very low	123 Å²	123	144.2 Å²	144.2	66%	0.658	75%	0.754	S	S	*	*				105.4	133.3	109.7	-69.7	-11.5	0	0	0	118.3
1071	N	26.8	Very low	26.5	Very low	133 Å²	133	143.9 Å²	143.9	71%	0.711	75%	0.748	S	S	*	*			trans	59.8	98.1	147.9	-55.2	-12.5	0	0	0	116.7
1072	N	27.6	Very low	26.5	Very low	167 Å²	167	149.4 Å²	149.4	89%	0.893	75%	0.752	S	S	*	*				-154.8	124.7	97.9	-88.4	-36.3	0	0	0	111.8
1073	R	24	Very low	26.6	Very low	229 Å²	229	149 Å²	149	86%	0.864	75%	0.748	S	S	*	*			trans	-74.1	173.9	160.5	-74.2	175.7	162.7	164.3	-7.5	109.5
1074	T	25.7	Very low	26.6	Very low	138 Å²	138	146.2 Å²	146.2	85%	0.847	74%	0.743	S	S	*	*			trans	62.5	109.4	164.9	62.3	0	0	0	0	117.5
1075	A	25.6	Very low	26.6	Very low	73 Å²	73	146 Å²	146	60%	0.603	74%	0.737	S	S	*	*	S	Bend	trans	-177.6	-43.3	142.4	0	0	0	0	0	113.3
1076	N	26.2	Very low	26.6	Very low	134 Å²	134	144 Å²	144	72%	0.717	73%	0.732	S	S	*	*	S	Bend	trans	-93.1	-13.9	-153.8	-71.8	-12	0	0	0	116.7
1077	E	28.1	Very low	26.4	Very low	175 Å²	175	143.5 Å²	143.5	82%	0.818	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-14.6	-173.5	-69.9	165.8	121.9	0	0	114.2
1078	F	27	Very low	26.4	Very low	198 Å²	198	141.5 Å²	141.5	87%	0.868	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-2	-174.5	-110.1	-91.4	0	0	0	115.7
1079	I	28.5	Very low	26.3	Very low	116 Å²	116	141.7 Å²	141.7	60%	0.595	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-34.1	-172	-65.7	178.5	0	0	0	112.9	N1081	I1079-N1081 PolarHBondContact O-N 2.76Å
1080	N	28.7	Very low	26.3	Very low	127 Å²	127	142.5 Å²	142.5	68%	0.679	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-78.6	-17	-174.2	-69.4	-12.8	0	0	0	114.3	K1082	N1080-K1082 PolarHBondContact O-N 3.35Å
1081	N	27.6	Very low	26.5	Very low	129 Å²	129	140.6 Å²	140.6	69%	0.69	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-88.3	8	-172.7	-106.1	-37.3	0	0	0	115.8	I1079	I1079-N1081 PolarHBondContact O-N 2.76Å
1082	K	27.9	Very low	27.1	Very low	189 Å²	189	136.3 Å²	136.3	82%	0.822	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-122.6	2.4	-174.5	-145.8	171.3	-174.3	174.4	0	115.9	N1080	N1080-K1082 PolarHBondContact O-N 3.35Å
1083	I	26.2	Very low	27.7	Very low	138 Å²	138	133.4 Å²	133.4	71%	0.708	67%	0.671	S	S	*	*	S	Bend	trans	-103.5	-21.3	-175.2	-63.8	178.3	0	0	0	112.8
1084	V	26	Very low	28.9	Very low	126 Å²	126	123.3 Å²	123.3	76%	0.764	63%	0.633	S	S	*	*	S	Bend	trans	-99.2	22.2	-172.5	-160.8	0	0	0	0	113.1
1085	R	24.1	Very low	30	Very low	190 Å²	190	118.3 Å²	118.3	72%	0.717	60%	0.603	S	S	*	*			trans	-113.7	-3.2	-172.5	-101.4	-174.2	176.3	105.9	-3.1	117
1086	N	24.5	Very low	31.5	Very low	133 Å²	133	114.8 Å²	114.8	71%	0.711	57%	0.574	S	S	*	*			trans	-112.9	62.6	-173.9	-74.2	-2.7	0	0	0	113.6	N1088	N1086-N1088 WeakPolarHBondContact CA-OD1 3.12Å; N1086-N1088 PolarHBondContact O-N 3.31Å
1087	C	23	Very low	32.7	Very low	116 Å²	116	110.5 Å²	110.5	78%	0.784	55%	0.551	S	S	*	*			trans	-87.6	47.4	160.2	-69.2	0	0	0	0	110.3
1088	N	24.9	Very low	33.9	Very low	82 Å²	82	102.5 Å²	102.5	44%	0.439	51%	0.514	S	S	.	.			trans	-82.3	145.4	-167.3	-63	6.2	0	0	0	110.8	N1086 L1090	N1086-N1088 WeakPolarHBondContact CA-OD1 3.12Å; N1086-N1088 PolarHBondContact O-N 3.31Å; N1088-L1090 PolarHBondContact O-N 2.76Å
1089	L	26	Very low	34.8	Very low	133 Å²	133	93.7 Å²	93.7	70%	0.696	48%	0.475	S	S	*	.			trans	-51.7	127.8	172.3	-71	139.9	0	0	0	110.2	Y1091	L1089-Y1091 VanDerWaalsContact C-N 3.28Å; L1089-Y1091 HydrophobicContact CB-CD2 3.71Å; L1089-Y1091 HydrophobicContact CB-CE2 3.3Å; L1089-Y1091 HydrophobicContact CD1-CE2 3.99Å; L1089-Y1091 HydrophobicContact CG-CE2 4.15Å; L1089-Y1091 WeakPolarHBondContact O-CD2 3.35Å; L1089-Y1091 PolarHBondContact O-N 3.16Å
1090	L	26.6	Very low	35.1	Very low	143 Å²	143	92.9 Å²	92.9	75%	0.749	46%	0.464	S	S	*	.			trans	-72.3	81.8	-179.2	-72.5	172.2	0	0	0	111.4	N1088	N1088-L1090 PolarHBondContact O-N 2.76Å
1091	Y	31	Very low	35.4	Very low	84 Å²	84	90.9 Å²	90.9	33%	0.329	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.8	164.8	-62	-73.3	0	0	0	109.5	K765 K766 Y817 L1089	K765-Y1091 WeakPolarHBondContact O-CA 3.48Å; K766-Y1091 HydrophobicContact CG-CD1 4.07Å; K766-Y1091 HydrophobicContact CG-CE1 3.82Å; Y817-Y1091 HydrophobicContact CE2-CE2 4.39Å; Y817-Y1091 VanDerWaalsContact OH-CE1 3.29Å; Y817-Y1091 WeakPolarHBondContact OH-CE1 3.38Å; Y817-Y1091 WeakPolarHBondContact OH-CE2 3.29Å; L1089-Y1091 VanDerWaalsContact C-N 3.28Å; L1089-Y1091 HydrophobicContact CB-CD2 3.71Å; L1089-Y1091 HydrophobicContact CB-CE2 3.3Å; L1089-Y1091 HydrophobicContact CD1-CE2 3.99Å; L1089-Y1091 HydrophobicContact CG-CE2 4.15Å; L1089-Y1091 WeakPolarHBondContact O-CD2 3.35Å; L1089-Y1091 PolarHBondContact O-N 3.16Å
1092	E	41.1	Very low	35.5	Very low	43 Å²	43	87.5 Å²	87.5	20%	0.201	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.1	-176.7	-64.2	174.6	135.4	0	0	109.8	L764 K765 F1094	L764-E1092 WeakPolarHBondContact CA-O 3.19Å; K765-E1092 HydrophobicContact CG-CB 4.44Å; K765-E1092 PolarHBondContact N-O 3.12Å; K765-E1092 IonicContact NZ-OE2 3.71Å; K765-E1092 PolarHBondContact NZ-OE2 2.69Å; K765-E1092 PolarHBondContact O-N 3.48Å; E1092-F1094 HydrophobicContact CB-CD2 4.2Å; E1092-F1094 HydrophobicContact CB-CE2 3.4Å; E1092-F1094 VanDerWaalsContact CB-CE2 3.4Å; E1092-F1094 HydrophobicContact CB-CZ 3.92Å; E1092-F1094 HydrophobicContact CG-CE2 4.42Å
1093	Q	40.1	Very low	35.6	Very low	106 Å²	106	84.6 Å²	84.6	50%	0.495	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.3	178.4	-175.1	173.2	90.7	0	0	110.7	K762 V763 L764	K762-Q1093 HydrophobicContact CB-CG 4.16Å; K762-Q1093 HydrophobicContact CD-CG 4.49Å; V763-Q1093 CarbonylContact O-C 3.57Å; V763-Q1093 WeakPolarHBondContact O-CA 3.18Å; L764-Q1093 HydrophobicContact CD2-CB 3.99Å; L764-Q1093 HydrophobicContact CG-CB 4.45Å
1094	F	47.3	Very low	35.6	Very low	16 Å²	16	86.2 Å²	86.2	7%	0.07	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150	179.3	-66.7	-74.9	0	0	0	112.1	K762 V763 K765 S844 Y866 E1092	K762-F1094 CarbonylContact C-O 3.54Å; K762-F1094 WeakPolarHBondContact CA-O 3.49Å; V763-F1094 PolarHBondContact N-O 2.88Å; V763-F1094 PolarHBondContact O-N 3.49Å; K765-F1094 HydrophobicContact CD-CD2 4.06Å; K765-F1094 HydrophobicContact CD-CE2 3.75Å; K765-F1094 HydrophobicContact CG-CD2 3.82Å; K765-F1094 HydrophobicContact CG-CE2 3.62Å; S844-F1094 WeakPolarHBondContact OG-CD1 3.48Å; Y866-F1094 WeakPolarHBondContact O-CE1 3.33Å; Y866-F1094 WeakPolarHBondContact O-CZ 3.39Å; E1092-F1094 HydrophobicContact CB-CD2 4.2Å; E1092-F1094 HydrophobicContact CB-CE2 3.4Å; E1092-F1094 VanDerWaalsContact CB-CE2 3.4Å; E1092-F1094 HydrophobicContact CB-CZ 3.92Å; E1092-F1094 HydrophobicContact CG-CE2 4.42Å
1095	T	49.4	Very low	35.4	Very low	33 Å²	33	87 Å²	87	20%	0.202	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.1	-177.5	-51	0	0	0	0	110.3	T760 V761 V843 S844	T760-T1095 HydrophobicContact CG2-CG2 3.5Å; T760-T1095 VanDerWaalsContact CG2-CG2 3.5Å; V761-T1095 WeakPolarHBondContact O-CA 3.4Å; V843-T1095 WeakPolarHBondContact CA-O 3.38Å; S844-T1095 PolarHBondContact N-O 2.85Å
1096	I	56.6	Low	35.3	Very low	0 Å²	0	86.7 Å²	86.7	0%	0	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.6	172.2	-54.9	169.8	0	0	0	107.9	T760 V761 V763 L773 V796 I840 V843 I1098	T760-I1096 WeakPolarHBondContact CA-O 3.5Å; V761-I1096 PolarHBondContact N-O 3.23Å; V761-I1096 PolarHBondContact O-N 3.3Å; V763-I1096 HydrophobicContact CG2-CD1 3.48Å; V763-I1096 VanDerWaalsContact CG2-CD1 3.48Å; V763-I1096 HydrophobicContact CG2-CG1 4.18Å; L773-I1096 HydrophobicContact CD1-CD1 3.9Å; L773-I1096 HydrophobicContact CD2-CD1 4.39Å; V796-I1096 HydrophobicContact CG2-CD1 3.71Å; I840-I1096 HydrophobicContact CG2-CG2 4.15Å; V843-I1096 HydrophobicContact CG1-CG1 4.21Å; V843-I1096 HydrophobicContact CG2-CG2 4.4Å; I1096-I1098 HydrophobicContact CG2-CD1 4.44Å; I1096-I1098 HydrophobicContact CG2-CG1 3.9Å
1097	N	52.2	Low	35.2	Very low	43 Å²	43	83.8 Å²	83.8	23%	0.23	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.9	170.3	-63.5	-1.2	0	0	0	109.5	L841 S842	L841-N1097 HydrophobicContact CB-CB 4.06Å; L841-N1097 HydrophobicContact CD1-CB 4.47Å; L841-N1097 PolarHBondContact N-O 2.95Å; S842-N1097 PolarHBondContact N-O 3.34Å; S842-N1097 PolarHBondContact O-N 2.95Å; S842-N1097 WeakPolarHBondContact OG-CB 3.28Å; S842-N1097 PolarHBondContact OG-ND2 3.03Å
1098	I	52.4	Low	35	Very low	7 Å²	7	88 Å²	88	4%	0.036	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.9	-175.2	-57.4	152.5	0	0	0	109	V758 L759 V761 P834 D838 R839 I1096	V758-I1098 CarbonylContact C-O 3.51Å; V758-I1098 WeakPolarHBondContact CA-O 3.42Å; L759-I1098 HydrophobicContact CB-CB 4.46Å; L759-I1098 HydrophobicContact CD2-CD1 4.17Å; L759-I1098 PolarHBondContact N-O 2.65Å; L759-I1098 PolarHBondContact O-N 2.9Å; V761-I1098 HydrophobicContact CB-CD1 4.27Å; V761-I1098 HydrophobicContact CG2-CD1 3.58Å; P834-I1098 HydrophobicContact CB-CD1 3.66Å; P834-I1098 HydrophobicContact CB-CG1 4.35Å; P834-I1098 HydrophobicContact CG-CD1 3.86Å; D838-I1098 HydrophobicContact CB-CG2 3.69Å; R839-I1098 CarbonylContact O-C 3.48Å; R839-I1098 WeakPolarHBondContact O-CA 3.18Å; I1096-I1098 HydrophobicContact CG2-CD1 4.44Å; I1096-I1098 HydrophobicContact CG2-CG1 3.9Å
1099	Y	46.1	Very low	34.9	Very low	14 Å²	14	89 Å²	89	6%	0.055	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.5	177.8	177.1	-85.4	0	0	0	110.4	N756 V758 R783 R839 N1101	N756-Y1099 HydrophobicContact CB-CE2 4.03Å; N756-Y1099 VanDerWaalsContact OD1-CE2 3.23Å; N756-Y1099 WeakPolarHBondContact OD1-CE2 3.41Å; N756-Y1099 PolarHBondContact OD1-OH 3.49Å; V758-Y1099 HydrophobicContact CG2-CD2 4.35Å; R783-Y1099 HydrophobicContact CB-CD1 4.06Å; R783-Y1099 HydrophobicContact CB-CE1 4.17Å; R783-Y1099 HydrophobicContact CG-CE1 4.23Å; R783-Y1099 PolarHBondContact NH1-OH 3.32Å; R839-Y1099 HydrophobicContact CB-CD1 4.39Å; R839-Y1099 PolarHBondContact N-O 3.15Å; R839-Y1099 PolarHBondContact O-N 3.19Å; Y1099-N1101 HydrophobicContact CE1-CB 4.1Å
1100	R	35.3	Very low	34.7	Very low	98 Å²	98	88.7 Å²	88.7	37%	0.37	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.1	176.1	-162.5	178.2	-169.9	118.2	-1.1	109.8	T835 D838	T835-R1100 PolarHBondContact OG1-NH1 3.35Å; D838-R1100 WeakPolarHBondContact OD1-CD 3.5Å; D838-R1100 WeakPolarHBondContact OD1-CG 3.43Å; D838-R1100 IonicContact OD1-CZ 3.98Å; D838-R1100 IonicContact OD1-NE 3.57Å; D838-R1100 IonicContact OD1-NH1 3.29Å; D838-R1100 PolarHBondContact OD1-NH1 3.01Å; D838-R1100 IonicContact OD2-NH1 3.95Å; D838-R1100 PolarHBondContact OD2-NH1 2.83Å; D838-R1100 VanDerWaalsContact OD2-NH1 3.07Å
1101	N	34.1	Very low	34.4	Very low	86 Å²	86	86.7 Å²	86.7	46%	0.46	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.1	175	-171.8	92.7	0	0	0	109.1	R783 Y1099 N1103	R783-N1101 PolarHBondContact NH1-OD1 3.19Å; Y1099-N1101 HydrophobicContact CE1-CB 4.1Å; N1101-N1103 PolarHBondContact ND2-O 2.95Å
1102	S	31.3	Very low	34	Very low	58 Å²	58	88.4 Å²	88.4	41%	0.406	49%	0.485	S	S	.	.			trans	-76.3	160.2	163.8	52.4	0	0	0	0	110.6
1103	N	29.2	Very low	33.1	Very low	127 Å²	127	92.6 Å²	92.6	68%	0.679	51%	0.505	S	S	*	.			trans	72.4	127.3	178.4	-50.2	-40.1	0	0	0	116.5	N1101	N1101-N1103 PolarHBondContact ND2-O 2.95Å
1104	E	25.7	Very low	32.4	Very low	173 Å²	173	97.1 Å²	97.1	81%	0.808	52%	0.519	S	S	*	.			trans	-106.1	145.2	163.9	-63.3	-173.1	150	0	0	110
1105	N	22.3	Very low	31.2	Very low	141 Å²	141	102.8 Å²	102.8	75%	0.754	55%	0.549	S	S	*	.	S	Bend	trans	76	145.6	167.1	-56.8	-67.1	0	0	0	120
1106	L	22	Very low	30	Very low	185 Å²	185	106.1 Å²	106.1	97%	0.969	56%	0.564	S	S	*	*			trans	70.8	135.9	160.6	-79.2	145.2	0	0	0	120.2
1107	G	21.8	Very low	28.5	Very low	72 Å²	72	108.6 Å²	108.6	74%	0.742	58%	0.582	S	S	*	*			trans	130.2	135.1	160	0	0	0	0	0	115.1
1108	F	20.2	Very low	27.2	Very low	204 Å²	204	111.5 Å²	111.5	90%	0.895	59%	0.594	S	S	*	*			trans	-132.9	126.7	175.3	-90.3	-80.2	0	0	0	112.4
1109	S	21.7	Very low	25.8	Very low	104 Å²	104	117 Å²	117	73%	0.727	62%	0.621	S	S	*	*				88.7	133.9	129.1	78	0	0	0	0	123.8
1110	V	21.4	Very low	24.8	Very low	125 Å²	125	123 Å²	123	76%	0.758	65%	0.649	S	S	*	*			trans	85.7	124.2	147.5	-131.2	0	0	0	0	123.7
1111	S	21.8	Very low	24.3	Very low	102 Å²	102	125.2 Å²	125.2	71%	0.713	67%	0.673	S	S	*	*			trans	89.5	104.5	137	37.1	0	0	0	0	124.2
1112	L	22.1	Very low	23.9	Very low	119 Å²	119	129.5 Å²	129.5	62%	0.623	69%	0.69	S	S	*	*				70.9	117.9	125.3	-113.8	74.7	0	0	0	123.8
1113	E	23	Very low	24	Very low	132 Å²	132	131.9 Å²	131.9	62%	0.617	70%	0.704	S	S	*	*			trans	59.5	111.7	137.3	-78.1	-169.5	120.4	0	0	124.6
1114	Y	23.6	Very low	23.8	Very low	200 Å²	200	129.9 Å²	129.9	78%	0.784	71%	0.705	S	S	*	*				82.8	143.7	127.1	-94.1	-61	0	0	0	124.8
1115	I	23.9	Very low	24	Very low	136 Å²	136	129.4 Å²	129.4	70%	0.697	71%	0.709	S	S	*	*			trans	97.6	106.6	141	-83.8	169.6	0	0	0	121
1116	I	23.9	Very low	24.1	Very low	102 Å²	102	130 Å²	130	52%	0.523	71%	0.707	S	S	.	*			trans	77.3	97.5	131.2	-66.8	-179.9	0	0	0	121.5	S883	S883-I1116 VanDerWaalsContact OG-CD1 3.25Å; S883-I1116 WeakPolarHBondContact OG-CD1 3.02Å
1117	S	24.9	Very low	24.5	Very low	53 Å²	53	131.4 Å²	131.4	37%	0.371	71%	0.705	S	S	.	*				104.3	126.5	105.3	-64.2	0	0	0	0	125.7	S881 N882	S881-S1117 WeakPolarHBondContact CB-OG 3.02Å; S881-S1117 PolarHBondContact O-OG 2.83Å; S881-S1117 WeakPolarHBondContact OG-CA 3.19Å; N882-S1117 WeakPolarHBondContact OD1-CB 3.35Å; N882-S1117 PolarHBondContact OD1-OG 2.82Å
1118	E	24.7	Very low	24.7	Very low	104 Å²	104	135.5 Å²	135.5	49%	0.486	71%	0.705	S	S	.	*			trans	86	141.8	133.1	-109	177.6	-175.8	0	0	125	S881 N882	S881-E1118 PolarHBondContact OG-N 2.85Å; S881-E1118 VanDerWaalsContact OG-N 3.11Å; N882-E1118 PolarHBondContact ND2-OE1 3.3Å; N882-E1118 PolarHBondContact ND2-OE2 3.19Å
1119	M	22.9	Very low	25.1	Very low	121 Å²	121	134.1 Å²	134.1	60%	0.596	71%	0.705	S	S	*	*			trans	83.6	99	146.8	-77.5	-166.7	164.7	0	0	121.8	E880	E880-M1119 WeakPolarHBondContact OE2-CA 3.32Å; E880-M1119 PolarHBondContact OE2-N 2.84Å
1120	Q	24	Very low	25.4	Very low	141 Å²	141	132 Å²	132	66%	0.659	70%	0.701	S	S	*	*				51.5	125.3	118.8	-61.2	-178.7	8.9	0	0	120.8
1121	V	26	Very low	25.7	Very low	144 Å²	144	137.6 Å²	137.6	87%	0.873	71%	0.708	S	S	*	*				-178.8	155.5	105.6	151	0	0	0	0	109.6
1122	H	25.1	Very low	26.1	Very low	176 Å²	176	139.3 Å²	139.3	82%	0.815	71%	0.709	S	S	*	*			trans	-100.8	-168.3	-167.2	-142.7	-18.7	0	0	0	112.9
1123	P	34.7	Very low	26.5	Very low	108 Å²	108	140.3 Å²	140.3	70%	0.701	72%	0.72	S	S	*	*				-105	174.8	-127.4	42.2	-28.3	0	0	0	115.4
1124	A	25	Very low	26.6	Very low	85 Å²	85	145.4 Å²	145.4	70%	0.702	73%	0.734	S	S	*	*			trans	-164	164.9	149.2	0	0	0	0	0	113.8
1125	D	29.6	Very low	27	Very low	164 Å²	164	141.4 Å²	141.4	88%	0.877	73%	0.732	S	S	*	*			trans	83.2	134	153.4	-60.5	-15.9	0	0	0	122.7
1126	E	24.6	Very low	27.1	Very low	152 Å²	152	138.5 Å²	138.5	71%	0.71	74%	0.736	S	S	*	*			trans	-87.5	171.5	-173.8	-47.8	168.4	94.2	0	0	112.7
1127	F	29.3	Very low	27.1	Very low	215 Å²	215	141.8 Å²	141.8	94%	0.943	75%	0.747	S	S	*	*			trans	-156.2	125	130.6	-112.2	-69.6	0	0	0	113
1128	Q	25.5	Very low	27.1	Very low	158 Å²	158	148.2 Å²	148.2	74%	0.738	77%	0.771	S	S	*	*			trans	-96.1	126.4	175.9	-54.8	173.3	15.7	0	0	112
1129	I	28.9	Very low	27.2	Very low	175 Å²	175	152.2 Å²	152.2	90%	0.897	81%	0.808	S	S	*	*			trans	-157	131.8	141.4	-47	-178.8	0	0	0	107.2
1130	G	28.9	Very low	27.4	Very low	61 Å²	61	153.8 Å²	153.8	63%	0.629	82%	0.818	S	S	*	*			cis	147.8	134.4	-9.6	0	0	0	0	0	112.8
1131	R	28.2	Very low	27.6	Very low	241 Å²	241	154.4 Å²	154.4	91%	0.909	83%	0.826	S	S	*	*			trans	67.7	141	170.6	-60.9	174.7	-178.6	160.2	1.2	115.1
1132	N	29.6	Very low	27.7	Very low	139 Å²	139	155 Å²	155	74%	0.743	82%	0.824	S	S	*	*			cis	-166.1	160.8	22.1	-130.7	7.9	0	0	0	113.9
1133	V	29.3	Very low	27.8	Very low	140 Å²	140	153.8 Å²	153.8	85%	0.848	82%	0.824	S	S	*	*			trans	77.9	156.5	158.2	180	0	0	0	0	118
1134	R	26.5	Very low	27.4	Very low	239 Å²	239	156.6 Å²	156.6	90%	0.902	83%	0.832	S	S	*	*			trans	-116.6	168.2	-155	-104.8	-174.2	171.2	-178.1	-3.7	113.7
1135	P	31.4	Very low	27.6	Very low	115 Å²	115	161.4 Å²	161.4	75%	0.747	84%	0.841	S	S	*	*			trans	-89.8	172	-172.2	37.8	-37.7	0	0	0	114.7
1136	G	26.2	Very low	27.4	Very low	76 Å²	76	161.2 Å²	161.2	78%	0.784	84%	0.838	S	S	*	*			trans	-140.4	143.9	162.1	0	0	0	0	0	110.5
1137	F	23.8	Very low	27.6	Very low	171 Å²	171	161.9 Å²	161.9	75%	0.75	85%	0.848	S	S	*	*			trans	-106.1	139	-179.6	-93.5	-98.2	0	0	0	111.1
1138	H	24.6	Very low	27.5	Very low	188 Å²	188	157.5 Å²	157.5	87%	0.87	84%	0.84	S	S	*	*			trans	-173.4	127.9	151.9	-91.5	-53.5	0	0	0	107.1
1139	C	27.3	Very low	27.7	Very low	187 Å²	187	157.5 Å²	157.5	100%	1.264	85%	0.849	S	S	*	*			cis	-133.5	0	-4.6	-70.7	0	0	0	0	110

Retrieved 1,139 of 1,139 residues in 234 ms (Link to these results)

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