A0A077Z8I3_TRITR Loading...

Ank 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8I3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,068 aa.

						>A0A077Z8I3_TRITR|A0A077Z8I3
MGDECGATEDSEKEVDSLCCDRYRDFVQASSSLEQMEKRSVSDSAASDSSRGQDSARTSSSTASSTSEMIQQPDFRLMCDMPSWQIFGYRLFLLYFLTLSITVKFCRFCDGYVAGVPALEPYAEMLRPDLESGFSVLSVAASAGYCELVHVLLNCMRMGPDYRGPKGDCTPLMDAASAGHTDVVRCLVEHGADVNAHSSIGNTPLIYACAAGHEEAVEILLDAGADVDLCNDNGQSPLMEAAAAGHIGIARLLVDHGARVNFASSELKVGLETPLTLACYRGHTDMVKFLLKVGGENNSAGREEELHTALMEASMDGHVEVAKLLLEAGAQVNLAADTFESPLTLAACGGHLDLAKLYLSKGASLEEFNEEGYTPLMEASREGHFAVVRLLVESGADVNMLSRRGESTLALAAGANFRNIVAYLLSKGADIERGATTALMEAAQEGNYETLNYLLESGANVHTATSQGDTAMSYAAQSGQTKICEVLLAAGASLEHQGEVGRTALMKAAGAGQRETVEFLLRKGANLNLATFDNDQTALSAACGNGQLAMVDFLLQIGADPKVRLKDGSSCLLEAAKGGHTRVVQYLLDWPESSGSAAQYNSCCVIPPSTMVPSICDAETVTADSTVYAPVVTDASLMTSSAEAMQAILANGTCSTTVMAANTFTRGLPLVVTPLGDYVGAAPAGSVPPVNVPNLAVTSDGSIYYPSIPQADGKKAKKHCTARPASGADDSTAHDLLVQWQETFSRFLATKEQPPTTDDDESACKSVKSRRAELDEAVKELEQLKKTQKMYENLKGRLSTHKLCVSSAAQLYDRDYGCFSAGNVAAECKHLYETPCYRQVVIDPANANVAVTSVTDVAAVHKMELYAAAVDGQTDGETCHSSQFQFLHPHVNVVVPVPHSCAGQQSLPCNFVVSREENVCFSPAVSVAMVSVTASEAAAIYRNSSCYGYSGNVMPLEGVSTAAGVIPANYAVANGEKLYIPVHLAQQDINSAAFHGFAAGSIPTLGNLPQGVIPVQARPASAMVAVPTFARDEYDNNENGDVLSNDNNRSGQQKYANAVRLRTAASQR
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25	Very low	29.4	Very low	254 Å²	254	136.1 Å²	136.1	100%	1.251	82%	0.824	S	S	*	*				0	134.6	0	-49.3	179.5	-160.2	0	0	105.1
2	G	28.1	Very low	29.6	Very low	72 Å²	72	137 Å²	137	74%	0.742	81%	0.813	S	S	*	*			cis	-162.2	173.6	-8	0	0	0	0	0	108.1
3	D	25.4	Very low	30	Very low	162 Å²	162	140.5 Å²	140.5	87%	0.866	81%	0.811	S	S	*	*			trans	-68.6	136.1	174.7	-50	-87.5	0	0	0	111.2
4	E	28.7	Very low	30.2	Very low	186 Å²	186	139.2 Å²	139.2	87%	0.869	79%	0.794	S	S	*	*			trans	165.6	164.6	140	-91.5	169.7	-164.7	0	0	110.7
5	C	31.1	Very low	30.4	Very low	136 Å²	136	136.3 Å²	136.3	92%	0.919	78%	0.779	S	S	*	*			trans	64.8	115.3	-176.8	-59.4	0	0	0	0	116.6
6	G	27.9	Very low	30.6	Very low	83 Å²	83	135.3 Å²	135.3	86%	0.856	77%	0.771	S	S	*	*			cis	112.1	44.4	-12.7	0	0	0	0	0	117.3
7	A	30.1	Very low	30.9	Very low	88 Å²	88	131.1 Å²	131.1	73%	0.727	75%	0.752	S	S	*	*			trans	-150.1	126.5	169.4	0	0	0	0	0	114.2
8	T	30.5	Very low	31.1	Very low	112 Å²	112	127.9 Å²	127.9	69%	0.687	73%	0.732	S	S	*	*			trans	46.6	117.8	152.9	52.9	0	0	0	0	120.9	D10	T8-D10 VanDerWaalsContact C-N 3.31Å; T8-D10 PolarHBondContact O-N 3.45Å
9	E	29.6	Very low	30.9	Very low	183 Å²	183	125.3 Å²	125.3	86%	0.855	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	0.4	-176.9	-60.7	167.1	135.6	0	0	115.7
10	D	33.4	Very low	30.9	Very low	155 Å²	155	122 Å²	122	83%	0.829	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-11.7	-174	-73	-58.2	0	0	0	114.5	T8	T8-D10 VanDerWaalsContact C-N 3.31Å; T8-D10 PolarHBondContact O-N 3.45Å
11	S	33.7	Very low	31.1	Very low	66 Å²	66	118.6 Å²	118.6	46%	0.462	68%	0.684	S	S	.	*	S	Bend	trans	-88.6	-17.7	-171.7	54.2	0	0	0	0	115.9	K13 E14	S11-K13 PolarHBondContact O-N 3.08Å; S11-K13 VanDerWaalsContact O-N 3.09Å; S11-E14 PolarHBondContact O-N 3.21Å
12	E	31.6	Very low	31.7	Very low	147 Å²	147	111.4 Å²	111.4	69%	0.687	64%	0.643	S	S	*	*	H	α-helix	trans	-63.6	-22.6	-169.8	-64.1	-169.4	141.7	0	0	114
13	K	34.8	Very low	31.9	Very low	182 Å²	182	113.8 Å²	113.8	79%	0.791	63%	0.631	S	S	*	*	H	α-helix	trans	-81.5	-22	-174.8	-69.8	174.5	-173.3	155.2	0	115.3	S11	S11-K13 PolarHBondContact O-N 3.08Å; S11-K13 VanDerWaalsContact O-N 3.09Å
14	E	33	Very low	32.3	Very low	123 Å²	123	112.6 Å²	112.6	58%	0.575	61%	0.614	S	S	*	*	H	α-helix	trans	-82.2	-25.6	176	-66.4	-172.9	130.9	0	0	111.5	S11 S17 H283	S11-E14 PolarHBondContact O-N 3.21Å; E14-S17 PolarHBondContact O-OG 3.38Å; E14-H283 IonicContact OE1-CE1 3.75Å; E14-H283 PolarHBondContact OE1-CE1 3.47Å; E14-H283 VanDerWaalsContact OE1-CE1 3.3Å
15	V	34	Very low	32.9	Very low	95 Å²	95	108.5 Å²	108.5	58%	0.576	60%	0.598	S	S	*	*	H	α-helix	trans	-70	-42.4	179.8	-175.5	0	0	0	0	111.8	S17 L18 C19	V15-S17 PolarHBondContact O-N 2.96Å; V15-L18 PolarHBondContact O-N 2.73Å; V15-C19 VanDerWaalsContact O-CB 3.25Å; V15-C19 WeakPolarHBondContact O-CB 3.25Å; V15-C19 PolarHBondContact O-N 3.35Å
16	D	32.3	Very low	32.9	Very low	120 Å²	120	108.8 Å²	108.8	64%	0.642	58%	0.584	S	S	*	*	H	α-helix	trans	-61	-40.3	-176.4	-92.6	-12.2	0	0	0	113.2	C20	D16-C20 WeakPolarHBondContact O-CB 3.36Å; D16-C20 PolarHBondContact O-N 3.31Å; D16-C20 PolarHBondContact O-SG 3.43Å
17	S	35.9	Very low	33.1	Very low	65 Å²	65	107 Å²	107	46%	0.455	56%	0.556	S	S	.	*	H	α-helix	trans	-72.3	-45.2	-179.6	64.1	0	0	0	0	111.8	E14 V15 C19 C20 D21	E14-S17 PolarHBondContact O-OG 3.38Å; V15-S17 PolarHBondContact O-N 2.96Å; S17-C19 VanDerWaalsContact C-N 3.27Å; S17-C19 PolarHBondContact O-N 3.24Å; S17-C20 PolarHBondContact O-N 2.77Å; S17-D21 PolarHBondContact O-N 2.73Å; S17-D21 VanDerWaalsContact O-N 3.1Å
18	L	34.5	Very low	33.5	Very low	73 Å²	73	107.6 Å²	107.6	38%	0.382	54%	0.544	S	S	.	.	H	α-helix	trans	-62.9	-35.4	177.3	-145.5	79.8	0	0	0	111.6	V15 R22	V15-L18 PolarHBondContact O-N 2.73Å; L18-R22 WeakPolarHBondContact O-CB 3.29Å; L18-R22 WeakPolarHBondContact O-CG 3.15Å; L18-R22 PolarHBondContact O-N 3.23Å
19	C	28.7	Very low	33.7	Very low	79 Å²	79	105 Å²	105	53%	0.534	53%	0.534	S	S	.	.	H	α-helix	trans	-69.5	-41.5	174.9	-157.5	0	0	0	0	111.8	V15 S17 Y23	V15-C19 VanDerWaalsContact O-CB 3.25Å; V15-C19 WeakPolarHBondContact O-CB 3.25Å; V15-C19 PolarHBondContact O-N 3.35Å; S17-C19 VanDerWaalsContact C-N 3.27Å; S17-C19 PolarHBondContact O-N 3.24Å; C19-Y23 VanDerWaalsContact O-CB 3.27Å; C19-Y23 WeakPolarHBondContact O-CB 3.47Å; C19-Y23 PolarHBondContact O-N 3.29Å
20	C	30.1	Very low	33.8	Very low	59 Å²	59	98.6 Å²	98.6	40%	0.399	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-43.2	178.6	-75.2	0	0	0	0	113.4	D16 S17 R24	D16-C20 WeakPolarHBondContact O-CB 3.36Å; D16-C20 PolarHBondContact O-N 3.31Å; D16-C20 PolarHBondContact O-SG 3.43Å; S17-C20 PolarHBondContact O-N 2.77Å; C20-R24 PolarHBondContact O-N 3.03Å
21	D	35.4	Very low	34	Very low	50 Å²	50	93.8 Å²	93.8	27%	0.267	49%	0.488	S	S	.	.	H	α-helix	trans	-70.9	-47.2	179.4	-74.7	-13.9	0	0	0	110.9	S17 Y23 R24 D25	S17-D21 PolarHBondContact O-N 2.73Å; S17-D21 VanDerWaalsContact O-N 3.1Å; D21-Y23 VanDerWaalsContact C-N 3.25Å; D21-Y23 PolarHBondContact O-N 2.82Å; D21-R24 WeakPolarHBondContact O-CB 3.36Å; D21-R24 PolarHBondContact O-N 3.11Å; D21-R24 IonicContact OD1-CZ 2.64Å; D21-R24 VanDerWaalsContact OD1-CZ 3.22Å; D21-R24 IonicContact OD1-NH1 3Å; D21-R24 PolarHBondContact OD1-NH1 3.12Å; D21-R24 IonicContact OD1-NH2 2.61Å; D21-R24 PolarHBondContact OD1-NH2 3.21Å; D21-D25 PolarHBondContact O-N 3.08Å; D21-D25 VanDerWaalsContact O-N 3.09Å
22	R	38.2	Very low	34.3	Very low	103 Å²	103	93.9 Å²	93.9	39%	0.389	49%	0.489	S	S	.	.	H	α-helix	trans	-57.4	-35.5	173.7	-73.5	-173.9	-179	-156.5	2.9	112.7	L18 F26 A210	L18-R22 WeakPolarHBondContact O-CB 3.29Å; L18-R22 WeakPolarHBondContact O-CG 3.15Å; L18-R22 PolarHBondContact O-N 3.23Å; R22-F26 WeakPolarHBondContact O-CB 3.33Å; R22-F26 PolarHBondContact O-N 2.76Å; R22-F26 VanDerWaalsContact O-N 3.14Å; R22-A210 PolarHBondContact NH2-O 3.07Å
23	Y	31.3	Very low	34.8	Very low	122 Å²	122	91.3 Å²	91.3	48%	0.478	48%	0.479	S	S	.	.	H	α-helix	trans	-69.4	-39.1	175.4	-165	-91.7	0	0	0	112.1	C19 D21 F26 V27	C19-Y23 VanDerWaalsContact O-CB 3.27Å; C19-Y23 WeakPolarHBondContact O-CB 3.47Å; C19-Y23 PolarHBondContact O-N 3.29Å; D21-Y23 VanDerWaalsContact C-N 3.25Å; D21-Y23 PolarHBondContact O-N 2.82Å; Y23-F26 PolarHBondContact O-N 3.17Å; Y23-V27 HydrophobicContact CD1-CG2 3.91Å; Y23-V27 HydrophobicContact CE1-CG2 3.67Å; Y23-V27 WeakPolarHBondContact O-CG2 3.16Å; Y23-V27 PolarHBondContact O-N 2.97Å
24	R	34.7	Very low	35	Very low	138 Å²	138	87.7 Å²	87.7	52%	0.521	47%	0.465	S	S	.	.	H	α-helix	trans	-62.7	-43.3	178.4	-163.4	-175.8	-56.8	118.5	10.2	111.6	C20 D21 V27 Q28	C20-R24 PolarHBondContact O-N 3.03Å; D21-R24 WeakPolarHBondContact O-CB 3.36Å; D21-R24 PolarHBondContact O-N 3.11Å; D21-R24 IonicContact OD1-CZ 2.64Å; D21-R24 VanDerWaalsContact OD1-CZ 3.22Å; D21-R24 IonicContact OD1-NH1 3Å; D21-R24 PolarHBondContact OD1-NH1 3.12Å; D21-R24 IonicContact OD1-NH2 2.61Å; D21-R24 PolarHBondContact OD1-NH2 3.21Å; R24-V27 PolarHBondContact O-N 2.83Å; R24-Q28 PolarHBondContact O-N 3.32Å
25	D	39.5	Very low	35.4	Very low	100 Å²	100	87.8 Å²	87.8	54%	0.535	47%	0.465	S	S	.	.	H	α-helix	trans	-67.5	-39.8	177.7	-62.5	-18.9	0	0	0	111.3	D21 V27 Q28 A29	D21-D25 PolarHBondContact O-N 3.08Å; D21-D25 VanDerWaalsContact O-N 3.09Å; D25-V27 VanDerWaalsContact C-N 3.29Å; D25-V27 PolarHBondContact O-N 3.41Å; D25-Q28 PolarHBondContact O-N 2.86Å; D25-A29 PolarHBondContact O-N 3.26Å
26	F	32	Very low	35.6	Very low	141 Å²	141	87.8 Å²	87.8	62%	0.618	46%	0.46	S	S	*	.	H	α-helix	trans	-62.5	-34.3	174.1	-165.7	-91.5	0	0	0	112.6	R22 Y23 S30	R22-F26 WeakPolarHBondContact O-CB 3.33Å; R22-F26 PolarHBondContact O-N 2.76Å; R22-F26 VanDerWaalsContact O-N 3.14Å; Y23-F26 PolarHBondContact O-N 3.17Å; F26-S30 WeakPolarHBondContact O-CB 3.43Å; F26-S30 PolarHBondContact O-N 3.17Å; F26-S30 PolarHBondContact O-OG 2.77Å
27	V	32.5	Very low	36	Very low	45 Å²	45	86.6 Å²	86.6	27%	0.273	45%	0.451	S	S	.	.	H	α-helix	trans	-70.8	-37.9	173.6	169.8	0	0	0	0	111.7	Y23 R24 D25 S30 S31	Y23-V27 HydrophobicContact CD1-CG2 3.91Å; Y23-V27 HydrophobicContact CE1-CG2 3.67Å; Y23-V27 WeakPolarHBondContact O-CG2 3.16Å; Y23-V27 PolarHBondContact O-N 2.97Å; R24-V27 PolarHBondContact O-N 2.83Å; D25-V27 VanDerWaalsContact C-N 3.29Å; D25-V27 PolarHBondContact O-N 3.41Å; V27-S30 WeakPolarHBondContact CA-OG 3.16Å; V27-S30 PolarHBondContact O-OG 2.77Å; V27-S31 WeakPolarHBondContact O-CB 3.21Å; V27-S31 PolarHBondContact O-N 3.01Å; V27-S31 PolarHBondContact O-OG 2.78Å
28	Q	37.2	Very low	36.3	Very low	101 Å²	101	90 Å²	90	47%	0.472	46%	0.458	S	S	.	.	H	α-helix	trans	-68.3	-39.4	173.9	-73	-166.6	-23.6	0	0	112.7	R24 D25 S31 S32	R24-Q28 PolarHBondContact O-N 3.32Å; D25-Q28 PolarHBondContact O-N 2.86Å; Q28-S31 PolarHBondContact O-OG 3.15Å; Q28-S32 WeakPolarHBondContact O-CB 3.4Å; Q28-S32 PolarHBondContact O-N 3.27Å; Q28-S32 PolarHBondContact O-OG 3.38Å
29	A	35.7	Very low	36.6	Very low	57 Å²	57	95.2 Å²	95.2	47%	0.471	47%	0.472	S	S	.	.	H	α-helix	trans	-65.7	-46.3	175.3	0	0	0	0	0	112.3	D25 S32 L33	D25-A29 PolarHBondContact O-N 3.26Å; A29-S32 PolarHBondContact O-N 2.85Å; A29-L33 PolarHBondContact O-N 3.48Å; A29-L33 VanDerWaalsContact O-N 3.1Å
30	S	32	Very low	37.1	Very low	50 Å²	50	95 Å²	95	35%	0.35	47%	0.471	S	S	.	.	H	α-helix	trans	-70.4	-38.2	-178.3	54.8	0	0	0	0	113.5	F26 V27 S32 L33 E34	F26-S30 WeakPolarHBondContact O-CB 3.43Å; F26-S30 PolarHBondContact O-N 3.17Å; F26-S30 PolarHBondContact O-OG 2.77Å; V27-S30 WeakPolarHBondContact CA-OG 3.16Å; V27-S30 PolarHBondContact O-OG 2.77Å; S30-S32 VanDerWaalsContact C-N 3.33Å; S30-S32 PolarHBondContact O-N 2.6Å; S30-L33 WeakPolarHBondContact O-CB 3.01Å; S30-L33 PolarHBondContact O-N 3.44Å; S30-E34 PolarHBondContact O-N 3.34Å
31	S	37.3	Very low	37.6	Very low	53 Å²	53	97.2 Å²	97.2	37%	0.371	48%	0.483	S	S	.	.	H	α-helix	trans	-65.5	-34.2	173.3	55.8	0	0	0	0	112.8	V27 Q28 E34 Q35	V27-S31 WeakPolarHBondContact O-CB 3.21Å; V27-S31 PolarHBondContact O-N 3.01Å; V27-S31 PolarHBondContact O-OG 2.78Å; Q28-S31 PolarHBondContact O-OG 3.15Å; S31-E34 PolarHBondContact O-N 2.87Å; S31-Q35 PolarHBondContact O-N 3.27Å
32	S	39.7	Very low	38	Very low	69 Å²	69	98.7 Å²	98.7	48%	0.483	50%	0.497	S	S	.	.	H	α-helix	trans	-66.6	-36.2	172.5	-60.2	0	0	0	0	112.7	Q28 A29 S30 M36	Q28-S32 WeakPolarHBondContact O-CB 3.4Å; Q28-S32 PolarHBondContact O-N 3.27Å; Q28-S32 PolarHBondContact O-OG 3.38Å; A29-S32 PolarHBondContact O-N 2.85Å; S30-S32 VanDerWaalsContact C-N 3.33Å; S30-S32 PolarHBondContact O-N 2.6Å; S32-M36 PolarHBondContact O-N 3.13Å
33	L	41.8	Very low	38	Very low	93 Å²	93	100.6 Å²	100.6	49%	0.487	52%	0.515	S	S	.	.	H	α-helix	trans	-67.5	-45.4	173.7	-99.2	157.7	0	0	0	112.4	A29 S30 Q35 M36 E37	A29-L33 PolarHBondContact O-N 3.48Å; A29-L33 VanDerWaalsContact O-N 3.1Å; S30-L33 WeakPolarHBondContact O-CB 3.01Å; S30-L33 PolarHBondContact O-N 3.44Å; L33-Q35 VanDerWaalsContact C-N 3.29Å; L33-Q35 PolarHBondContact O-N 3.04Å; L33-M36 PolarHBondContact O-N 3.5Å; L33-E37 PolarHBondContact O-N 2.77Å
34	E	39.9	Very low	38.1	Very low	106 Å²	106	99.4 Å²	99.4	50%	0.495	53%	0.525	S	S	.	.	H	α-helix	trans	-58.1	-39.8	175.1	-83	-147.1	147.7	0	0	112.4	S30 S31 M36 E37 K38	S30-E34 PolarHBondContact O-N 3.34Å; S31-E34 PolarHBondContact O-N 2.87Å; E34-M36 PolarHBondContact O-N 3.49Å; E34-E37 PolarHBondContact O-N 3.34Å; E34-K38 VanDerWaalsContact CD-NZ 3.27Å; E34-K38 WeakPolarHBondContact O-CB 3.46Å; E34-K38 WeakPolarHBondContact O-CG 3.33Å; E34-K38 PolarHBondContact O-N 2.8Å; E34-K38 IonicContact OE1-NZ 3.3Å; E34-K38 IonicContact OE2-NZ 3.85Å; E34-K38 PolarHBondContact OE2-NZ 2.81Å
35	Q	40.8	Very low	38.1	Very low	124 Å²	124	97.2 Å²	97.2	58%	0.579	54%	0.536	S	S	*	.	H	α-helix	trans	-67.3	-23.6	177.5	-72.7	-165.2	28.2	0	0	113.3	S31 L33 R39	S31-Q35 PolarHBondContact O-N 3.27Å; L33-Q35 VanDerWaalsContact C-N 3.29Å; L33-Q35 PolarHBondContact O-N 3.04Å; Q35-R39 WeakPolarHBondContact O-CG 3.26Å
36	M	37.9	Very low	37.9	Very low	95 Å²	95	97 Å²	97	47%	0.468	55%	0.548	S	S	.	.	H	α-helix	trans	-83.3	-39.3	172.7	-74.8	-164.9	-81.2	0	0	112.6	S32 L33 E34 R39 S40	S32-M36 PolarHBondContact O-N 3.13Å; L33-M36 PolarHBondContact O-N 3.5Å; E34-M36 PolarHBondContact O-N 3.49Å; M36-R39 PolarHBondContact O-N 3.34Å; M36-S40 PolarHBondContact O-N 3.47Å
37	E	40.2	Very low	38.1	Very low	95 Å²	95	96.3 Å²	96.3	44%	0.444	56%	0.561	S	S	.	*	H	α-helix	trans	-66.6	-39.2	174.4	-68.6	-163.8	135.4	0	0	112.3	L33 E34 R39 S40 V41 K166	L33-E37 PolarHBondContact O-N 2.77Å; E34-E37 PolarHBondContact O-N 3.34Å; E37-R39 PolarHBondContact O-N 3.44Å; E37-R39 VanDerWaalsContact O-N 3.14Å; E37-S40 PolarHBondContact O-N 3.37Å; E37-S40 PolarHBondContact O-OG 2.86Å; E37-V41 WeakPolarHBondContact O-CG2 3.21Å; E37-V41 PolarHBondContact O-N 3.37Å; E37-K166 IonicContact OE1-NZ 3.32Å; E37-K166 PolarHBondContact OE1-NZ 3.47Å; E37-K166 IonicContact OE2-NZ 3.33Å
38	K	43.8	Very low	38.1	Very low	137 Å²	137	101.4 Å²	101.4	60%	0.596	59%	0.587	S	S	*	*	H	α-helix	trans	-66.3	-12.9	174.8	-71.4	166	-177.5	168.1	0	113.5	E34	E34-K38 VanDerWaalsContact CD-NZ 3.27Å; E34-K38 WeakPolarHBondContact O-CB 3.46Å; E34-K38 WeakPolarHBondContact O-CG 3.33Å; E34-K38 PolarHBondContact O-N 2.8Å; E34-K38 IonicContact OE1-NZ 3.3Å; E34-K38 IonicContact OE2-NZ 3.85Å; E34-K38 PolarHBondContact OE2-NZ 2.81Å
39	R	39.7	Very low	37.9	Very low	182 Å²	182	101.3 Å²	101.3	69%	0.687	60%	0.597	S	S	*	*	H	α-helix	trans	-102.8	-18.9	174.4	-75.1	179.9	175.4	177.1	1.5	114.6	Q35 M36 E37 S42	Q35-R39 WeakPolarHBondContact O-CG 3.26Å; M36-R39 PolarHBondContact O-N 3.34Å; E37-R39 PolarHBondContact O-N 3.44Å; E37-R39 VanDerWaalsContact O-N 3.14Å; R39-S42 PolarHBondContact O-OG 2.85Å
40	S	40.5	Very low	37.9	Very low	74 Å²	74	103.7 Å²	103.7	52%	0.517	61%	0.61	S	S	.	*	H	α-helix	trans	-85.7	-26	175.3	61.5	0	0	0	0	112.9	M36 E37	M36-S40 PolarHBondContact O-N 3.47Å; E37-S40 PolarHBondContact O-N 3.37Å; E37-S40 PolarHBondContact O-OG 2.86Å
41	V	40.2	Very low	38	Very low	107 Å²	107	112.8 Å²	112.8	65%	0.648	64%	0.637	S	S	*	*	S	Bend	trans	-76.6	-22.3	-179.6	174.9	0	0	0	0	113.1	E37	E37-V41 WeakPolarHBondContact O-CG2 3.21Å; E37-V41 PolarHBondContact O-N 3.37Å
42	S	43.3	Very low	37.8	Very low	80 Å²	80	113.4 Å²	113.4	56%	0.559	65%	0.651	S	S	*	*	S	Bend	trans	-70.7	-32.6	-179.7	51.6	0	0	0	0	114.4	R39	R39-S42 PolarHBondContact O-OG 2.85Å
43	D	37.4	Very low	37.5	Very low	143 Å²	143	118.2 Å²	118.2	77%	0.765	67%	0.666	S	S	*	*	S	Bend	trans	-97.7	-1.1	-160.5	-70.4	19.7	0	0	0	113.8
44	S	34.9	Very low	37.2	Very low	97 Å²	97	119.9 Å²	119.9	68%	0.678	68%	0.676	S	S	*	*	S	Bend	trans	-110.1	-0.6	-166.8	52.2	0	0	0	0	116
45	A	34	Very low	36.8	Very low	93 Å²	93	119.6 Å²	119.6	77%	0.769	69%	0.685	S	S	*	*			trans	-112.6	49	-167.4	0	0	0	0	0	115.4
46	A	35.2	Very low	36.6	Very low	94 Å²	94	118.1 Å²	118.1	78%	0.777	69%	0.694	S	S	*	*	S	Bend	trans	-144.8	32.2	-172.9	0	0	0	0	0	118.4
47	S	35.6	Very low	36.2	Very low	127 Å²	127	124.3 Å²	124.3	89%	0.888	71%	0.712	S	S	*	*			trans	-170.1	141	151.7	42.2	0	0	0	0	113.1
48	D	33.1	Very low	35.9	Very low	153 Å²	153	126 Å²	126	82%	0.818	73%	0.729	S	S	*	*			trans	-151.9	141.7	-179.6	-179.5	19.9	0	0	0	111
49	S	33.8	Very low	35.5	Very low	98 Å²	98	124.4 Å²	124.4	69%	0.685	74%	0.736	S	S	*	*			trans	156.5	138.4	137.7	54.9	0	0	0	0	116.3
50	S	36	Very low	35.2	Very low	107 Å²	107	120.7 Å²	120.7	75%	0.748	74%	0.737	S	S	*	*			trans	79.2	147.4	155.6	88.6	0	0	0	0	118.6
51	R	33.6	Very low	34.9	Very low	242 Å²	242	122.1 Å²	122.1	91%	0.913	75%	0.747	S	S	*	*			cis	-167	153	-1.9	-131.5	173	-179.6	154.2	-0.9	113.2
52	G	32.5	Very low	34.3	Very low	65 Å²	65	123.7 Å²	123.7	67%	0.67	76%	0.757	S	S	*	*			trans	105.8	131.8	164.3	0	0	0	0	0	114.8
53	Q	33.6	Very low	33.7	Very low	170 Å²	170	125.3 Å²	125.3	79%	0.794	78%	0.775	S	S	*	*			cis	74.2	137.6	41.6	-63.9	-171.1	-89.9	0	0	113.8
54	D	34.4	Very low	33.2	Very low	129 Å²	129	124.1 Å²	124.1	69%	0.69	78%	0.779	S	S	*	*			cis	-168.2	169.2	-0.4	-102.3	-19.8	0	0	0	108.7
55	S	33.1	Very low	33.1	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	79%	0.786	S	S	*	*			cis	-175.3	-169.6	-17.9	63.2	0	0	0	0	110.1
56	A	35	Very low	32.8	Very low	93 Å²	93	127.2 Å²	127.2	77%	0.769	79%	0.789	S	S	*	*			trans	77.5	158.6	156.4	0	0	0	0	0	121.5
57	R	31	Very low	32.5	Very low	226 Å²	226	128.5 Å²	128.5	85%	0.853	79%	0.792	S	S	*	*			cis	-175	170.2	-40.3	-139.1	176	-169.2	175.7	4	111.2
58	T	34.3	Very low	32.3	Very low	130 Å²	130	131.2 Å²	131.2	80%	0.798	79%	0.791	S	S	*	*			trans	70.6	155.2	167.9	69.3	0	0	0	0	116.6
59	S	35	Very low	31.9	Very low	104 Å²	104	131.9 Å²	131.9	73%	0.727	79%	0.791	S	S	*	*			cis	-178.4	160	-15.5	48.7	0	0	0	0	108.9
60	S	33.4	Very low	31.6	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	80%	0.798	S	S	*	*			cis	-176.4	-170.9	-17.7	60.3	0	0	0	0	109.2
61	S	34	Very low	31.2	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	80%	0.799	S	S	*	*			trans	74.5	151.3	171.2	79.1	0	0	0	0	118.1
62	T	27.3	Very low	30.8	Very low	139 Å²	139	135 Å²	135	85%	0.853	80%	0.797	S	S	*	*				-176.8	121.3	-56.3	28.8	0	0	0	0	109
63	A	29.7	Very low	30.5	Very low	114 Å²	114	137.2 Å²	137.2	94%	0.942	80%	0.799	S	S	*	*			trans	-155.9	152.1	161.3	0	0	0	0	0	109.5
64	S	28.6	Very low	30.3	Very low	119 Å²	119	135.3 Å²	135.3	83%	0.832	79%	0.794	S	S	*	*			trans	-116	138.3	-164.8	57	0	0	0	0	114.4
65	S	31.7	Very low	30	Very low	118 Å²	118	137.5 Å²	137.5	83%	0.825	80%	0.798	S	S	*	*				-156.7	165.1	126.4	-147.7	0	0	0	0	111.6
66	T	27.7	Very low	29.9	Very low	136 Å²	136	142.8 Å²	142.8	83%	0.834	80%	0.803	S	S	*	*			trans	-72.3	139.9	-173.2	47.3	0	0	0	0	113.8
67	S	29	Very low	29.7	Very low	121 Å²	121	145.2 Å²	145.2	85%	0.846	80%	0.802	S	S	*	*			trans	-132.2	136.9	160.6	-172.6	0	0	0	0	108.1
68	E	31	Very low	29.7	Very low	184 Å²	184	139.5 Å²	139.5	86%	0.86	79%	0.786	S	S	*	*			trans	-88.5	165.5	-170.4	-68.1	-174.2	125.7	0	0	113.7	I70	E68-I70 PolarHBondContact O-N 3.5Å
69	M	25	Very low	29.6	Very low	168 Å²	168	139.2 Å²	139.2	83%	0.828	79%	0.789	S	S	*	*			trans	-60.1	124.2	-165	-69	150.4	49.4	0	0	114.4
70	I	27.7	Very low	29.7	Very low	161 Å²	161	141.4 Å²	141.4	83%	0.826	79%	0.792	S	S	*	*			trans	-107	120.2	150.1	-62.6	176.8	0	0	0	106.6	E68	E68-I70 PolarHBondContact O-N 3.5Å
71	Q	28.3	Very low	29.7	Very low	165 Å²	165	140 Å²	140	77%	0.771	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-78.9	133.1	172.5	-69.2	177.4	-57.8	0	0	109.5
72	Q	24.7	Very low	29.6	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-80.7	127.7	169.5	-64	-178.4	-75.4	0	0	109.3
73	P	27	Very low	30	Very low	110 Å²	110	134.8 Å²	134.8	71%	0.714	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-68.5	146.2	165.1	-14.4	29.9	0	0	0	110.5
74	D	27.8	Very low	30.3	Very low	130 Å²	130	138.1 Å²	138.1	70%	0.695	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-78.3	124.8	178.3	-161	-17	0	0	0	110.3	R76	D74-R76 PolarHBondContact O-N 2.8Å
75	F	29.4	Very low	30.6	Very low	175 Å²	175	135.8 Å²	135.8	77%	0.768	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	36.8	-168.8	-107.2	-89.2	0	0	0	113.6	M78	F75-M78 HydrophobicContact CE1-SD 4.47Å
76	R	30.6	Very low	31	Very low	210 Å²	210	134.6 Å²	134.6	79%	0.792	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	4.9	-168.6	-88.9	-179	161.6	-177.7	-5.1	116.2	D74	D74-R76 PolarHBondContact O-N 2.8Å
77	L	30.1	Very low	31.6	Very low	145 Å²	145	134.9 Å²	134.9	76%	0.759	68%	0.681	S	S	*	*			trans	-128.1	87.6	172.1	-73.5	91.1	0	0	0	110.8
78	M	30.7	Very low	32	Very low	105 Å²	105	131 Å²	131	52%	0.517	66%	0.66	S	S	.	*			trans	-137	1.9	169.6	-70.5	-173.7	67.9	0	0	113.7	F75	F75-M78 HydrophobicContact CE1-SD 4.47Å
79	C	32.7	Very low	32.2	Very low	125 Å²	125	127.9 Å²	127.9	85%	0.845	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-16.6	-173.8	-59.8	0	0	0	0	114.8
80	D	37.6	Very low	32.9	Very low	150 Å²	150	126.1 Å²	126.1	80%	0.802	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	17.3	-167.2	-53.9	-63.1	0	0	0	114
81	M	32	Very low	33.6	Very low	73 Å²	73	123.5 Å²	123.5	36%	0.36	61%	0.612	S	S	.	*			trans	-91.7	127.5	-174.1	-64.1	-171.7	75.4	0	0	112.9	Q85	M81-Q85 HydrophobicContact CE-CB 4.03Å
82	P	33.7	Very low	34.2	Very low	59 Å²	59	120.8 Å²	120.8	38%	0.383	60%	0.598	S	S	.	*			trans	-72.3	153.4	-178	29.7	-36.7	0	0	0	113.4	W84 Q85 I86	P82-W84 VanDerWaalsContact C-N 3.28Å; P82-W84 HydrophobicContact CG-CZ2 4.32Å; P82-W84 PolarHBondContact O-N 2.81Å; P82-Q85 HydrophobicContact CG-CG 4.37Å; P82-Q85 WeakPolarHBondContact O-CB 3.49Å; P82-Q85 PolarHBondContact O-N 3.1Å; P82-I86 PolarHBondContact O-N 2.68Å
83	S	34.9	Very low	35.1	Very low	75 Å²	75	116.2 Å²	116.2	52%	0.524	58%	0.579	S	S	.	*	H	α-helix	trans	-53.6	-32.6	-167	-41.6	0	0	0	0	116	Q85 I86 F87	S83-Q85 VanDerWaalsContact C-N 3.32Å; S83-Q85 PolarHBondContact O-N 3.28Å; S83-I86 WeakPolarHBondContact O-CB 3.42Å; S83-I86 PolarHBondContact O-N 3.26Å; S83-I86 VanDerWaalsContact O-N 3.14Å; S83-F87 PolarHBondContact O-N 2.88Å; S83-F87 VanDerWaalsContact O-N 3.1Å
84	W	35.5	Very low	35.9	Very low	185 Å²	185	114 Å²	114	70%	0.701	56%	0.561	S	S	*	*	H	α-helix	trans	-67.6	-31.2	176.8	60.9	-89.5	0	0	0	112.8	P82 I86 F87 G88	P82-W84 VanDerWaalsContact C-N 3.28Å; P82-W84 HydrophobicContact CG-CZ2 4.32Å; P82-W84 PolarHBondContact O-N 2.81Å; W84-I86 VanDerWaalsContact C-N 3.35Å; W84-F87 PolarHBondContact O-N 2.87Å; W84-G88 PolarHBondContact O-N 2.94Å
85	Q	35.2	Very low	36.6	Very low	69 Å²	69	114.6 Å²	114.6	32%	0.322	55%	0.554	S	S	.	*	H	α-helix	trans	-73.1	-28.4	171.6	-66.2	-172.3	-30.8	0	0	111.8	M81 P82 S83 G88 Y89	M81-Q85 HydrophobicContact CE-CB 4.03Å; P82-Q85 HydrophobicContact CG-CG 4.37Å; P82-Q85 WeakPolarHBondContact O-CB 3.49Å; P82-Q85 PolarHBondContact O-N 3.1Å; S83-Q85 VanDerWaalsContact C-N 3.32Å; S83-Q85 PolarHBondContact O-N 3.28Å; Q85-G88 PolarHBondContact O-N 2.89Å; Q85-Y89 WeakPolarHBondContact O-CB 3.47Å; Q85-Y89 PolarHBondContact O-N 3.07Å
86	I	40.8	Very low	37.4	Very low	94 Å²	94	112 Å²	112	48%	0.482	54%	0.543	S	S	.	.	H	α-helix	trans	-66.1	-40.3	171.7	-53.5	179.1	0	0	0	110.3	P82 S83 W84 Y89 R90	P82-I86 PolarHBondContact O-N 2.68Å; S83-I86 WeakPolarHBondContact O-CB 3.42Å; S83-I86 PolarHBondContact O-N 3.26Å; S83-I86 VanDerWaalsContact O-N 3.14Å; W84-I86 VanDerWaalsContact C-N 3.35Å; I86-Y89 PolarHBondContact O-N 2.93Å; I86-R90 PolarHBondContact O-N 2.82Å
87	F	39.3	Very low	38.1	Very low	142 Å²	142	105 Å²	105	62%	0.623	52%	0.521	S	S	*	.	H	α-helix	trans	-64.2	-43	173.3	-159.6	-91.4	0	0	0	111.7	S83 W84 Y89 R90 L91	S83-F87 PolarHBondContact O-N 2.88Å; S83-F87 VanDerWaalsContact O-N 3.1Å; W84-F87 PolarHBondContact O-N 2.87Å; F87-Y89 VanDerWaalsContact C-N 3.34Å; F87-Y89 PolarHBondContact O-N 3.24Å; F87-R90 WeakPolarHBondContact O-CB 3.49Å; F87-R90 PolarHBondContact O-N 3.18Å; F87-L91 HydrophobicContact CD1-CD1 3.62Å; F87-L91 HydrophobicContact CE1-CD1 3.42Å; F87-L91 VanDerWaalsContact CE1-CD1 3.42Å; F87-L91 HydrophobicContact CZ-CD1 4.29Å; F87-L91 PolarHBondContact O-N 3.42Å
88	G	37	Very low	38.8	Very low	40 Å²	40	100 Å²	100	41%	0.412	50%	0.496	S	S	.	.	H	α-helix	trans	-59.1	-40.6	171.2	0	0	0	0	0	113.3	W84 Q85 L91 F92	W84-G88 PolarHBondContact O-N 2.94Å; Q85-G88 PolarHBondContact O-N 2.89Å; G88-L91 PolarHBondContact O-N 3.34Å; G88-F92 WeakPolarHBondContact O-CB 3.18Å; G88-F92 PolarHBondContact O-N 3.42Å
89	Y	37.2	Very low	39.4	Very low	117 Å²	117	98.2 Å²	98.2	46%	0.459	49%	0.489	S	S	.	.	H	α-helix	trans	-71.2	-32.8	176	-116.9	-91.9	0	0	0	112.9	Q85 I86 F87 F92 L93	Q85-Y89 WeakPolarHBondContact O-CB 3.47Å; Q85-Y89 PolarHBondContact O-N 3.07Å; I86-Y89 PolarHBondContact O-N 2.93Å; F87-Y89 VanDerWaalsContact C-N 3.34Å; F87-Y89 PolarHBondContact O-N 3.24Å; Y89-F92 PolarHBondContact O-N 3.32Å; Y89-L93 HydrophobicContact CD1-CD1 4.13Å; Y89-L93 HydrophobicContact CD1-CG 4.27Å; Y89-L93 VanDerWaalsContact O-CB 3.29Å; Y89-L93 WeakPolarHBondContact O-CB 3.23Å; Y89-L93 WeakPolarHBondContact O-CG 3.21Å; Y89-L93 PolarHBondContact O-N 2.87Å
90	R	38.5	Very low	40	Very low	132 Å²	132	94.9 Å²	94.9	50%	0.498	47%	0.467	S	S	.	.	H	α-helix	trans	-61	-50.1	169.8	-82.7	-176	167	-163.5	-4.8	110.7	I86 F87 F92 L93 L94	I86-R90 PolarHBondContact O-N 2.82Å; F87-R90 WeakPolarHBondContact O-CB 3.49Å; F87-R90 PolarHBondContact O-N 3.18Å; R90-F92 VanDerWaalsContact C-N 3.34Å; R90-F92 PolarHBondContact O-N 2.58Å; R90-L93 PolarHBondContact O-N 3.1Å; R90-L94 WeakPolarHBondContact O-CB 3.43Å; R90-L94 WeakPolarHBondContact O-CG 3.27Å; R90-L94 PolarHBondContact O-N 3.32Å
91	L	42.3	Very low	40.2	Very low	106 Å²	106	89.7 Å²	89.7	56%	0.555	44%	0.439	S	S	*	.	H	α-helix	trans	-61.2	-41.2	173.9	-93.7	105.6	0	0	0	112.1	F87 G88 L94 Y95	F87-L91 HydrophobicContact CD1-CD1 3.62Å; F87-L91 HydrophobicContact CE1-CD1 3.42Å; F87-L91 VanDerWaalsContact CE1-CD1 3.42Å; F87-L91 HydrophobicContact CZ-CD1 4.29Å; F87-L91 PolarHBondContact O-N 3.42Å; G88-L91 PolarHBondContact O-N 3.34Å; L91-L94 PolarHBondContact O-N 3.34Å; L91-Y95 WeakPolarHBondContact O-CB 3.29Å; L91-Y95 PolarHBondContact O-N 3.45Å
92	F	40.4	Very low	40.4	Very low	107 Å²	107	89.3 Å²	89.3	47%	0.469	44%	0.441	S	S	.	.	H	α-helix	trans	-67.3	-42.1	179.8	-173.6	-97.8	0	0	0	112.6	G88 Y89 R90 Y95 F96	G88-F92 WeakPolarHBondContact O-CB 3.18Å; G88-F92 PolarHBondContact O-N 3.42Å; Y89-F92 PolarHBondContact O-N 3.32Å; R90-F92 VanDerWaalsContact C-N 3.34Å; R90-F92 PolarHBondContact O-N 2.58Å; F92-Y95 PolarHBondContact O-N 3.07Å; F92-F96 HydrophobicContact CD1-CD2 4.3Å; F92-F96 AromaticContact CE1-CD2 3.66Å; F92-F96 HydrophobicContact CE1-CD2 3.66Å; F92-F96 HydrophobicContact CE1-CE2 4Å; F92-F96 HydrophobicContact CE1-CG 4.46Å; F92-F96 AromaticContact CE2-CD2 3.92Å; F92-F96 HydrophobicContact CE2-CD2 3.92Å; F92-F96 AromaticContact CE2-CE2 3.93Å; F92-F96 HydrophobicContact CE2-CE2 3.93Å; F92-F96 AromaticContact CZ-CD2 3.45Å; F92-F96 HydrophobicContact CZ-CD2 3.45Å; F92-F96 VanDerWaalsContact CZ-CD2 3.45Å; F92-F96 AromaticContact CZ-CE2 3.39Å; F92-F96 HydrophobicContact CZ-CE2 3.39Å; F92-F96 HydrophobicContact CZ-CZ 4.49Å; F92-F96 WeakPolarHBondContact O-CB 3.3Å; F92-F96 PolarHBondContact O-N 3.03Å
93	L	43.5	Very low	40.6	Very low	92 Å²	92	91 Å²	91	48%	0.482	45%	0.45	S	S	.	.	H	α-helix	trans	-68.1	-40.8	175.3	-79.7	167.9	0	0	0	111.8	Y89 R90 Y95 F96 L97	Y89-L93 HydrophobicContact CD1-CD1 4.13Å; Y89-L93 HydrophobicContact CD1-CG 4.27Å; Y89-L93 VanDerWaalsContact O-CB 3.29Å; Y89-L93 WeakPolarHBondContact O-CB 3.23Å; Y89-L93 WeakPolarHBondContact O-CG 3.21Å; Y89-L93 PolarHBondContact O-N 2.87Å; R90-L93 PolarHBondContact O-N 3.1Å; L93-Y95 VanDerWaalsContact C-N 3.33Å; L93-F96 PolarHBondContact O-N 2.98Å; L93-L97 VanDerWaalsContact O-CB 3.27Å; L93-L97 WeakPolarHBondContact O-CB 3.42Å; L93-L97 PolarHBondContact O-N 3.41Å
94	L	45.1	Very low	40.7	Very low	62 Å²	62	93.9 Å²	93.9	33%	0.325	45%	0.453	S	S	.	.	H	α-helix	trans	-62.9	-39.6	171.4	-80.4	163.9	0	0	0	111.4	R90 L91 T98 V139	R90-L94 WeakPolarHBondContact O-CB 3.43Å; R90-L94 WeakPolarHBondContact O-CG 3.27Å; R90-L94 PolarHBondContact O-N 3.32Å; L91-L94 PolarHBondContact O-N 3.34Å; L94-T98 VanDerWaalsContact O-CB 3.3Å; L94-T98 WeakPolarHBondContact O-CB 3.35Å; L94-T98 VanDerWaalsContact O-CG2 3.29Å; L94-T98 WeakPolarHBondContact O-CG2 3.37Å; L94-T98 PolarHBondContact O-N 3.44Å; L94-T98 PolarHBondContact O-OG1 3.35Å; L94-V139 HydrophobicContact CD2-CG1 4.2Å
95	Y	43.2	Very low	40.7	Very low	144 Å²	144	87.2 Å²	87.2	57%	0.565	43%	0.429	S	S	*	.	H	α-helix	trans	-67.5	-38.5	175.2	-164.3	-100.7	0	0	0	112.1	L91 F92 L93 T98 L99	L91-Y95 WeakPolarHBondContact O-CB 3.29Å; L91-Y95 PolarHBondContact O-N 3.45Å; F92-Y95 PolarHBondContact O-N 3.07Å; L93-Y95 VanDerWaalsContact C-N 3.33Å; Y95-T98 WeakPolarHBondContact CA-OG1 3.42Å; Y95-T98 PolarHBondContact O-OG1 3.03Å; Y95-L99 HydrophobicContact CD1-CD1 4.04Å; Y95-L99 HydrophobicContact CD1-CD2 4.38Å; Y95-L99 HydrophobicContact CD2-CD1 4.25Å; Y95-L99 HydrophobicContact CE1-CD1 3.67Å; Y95-L99 HydrophobicContact CE1-CD2 3.78Å; Y95-L99 HydrophobicContact CE1-CG 4.37Å; Y95-L99 HydrophobicContact CE2-CD1 3.91Å; Y95-L99 HydrophobicContact CG-CD1 4.31Å; Y95-L99 WeakPolarHBondContact O-CB 3.3Å; Y95-L99 WeakPolarHBondContact O-CD1 3.46Å; Y95-L99 PolarHBondContact O-N 3.23Å
96	F	45.2	Very low	40.6	Very low	119 Å²	119	88.3 Å²	88.3	52%	0.522	44%	0.443	S	S	.	.	H	α-helix	trans	-75.7	-33.6	176.7	-113.5	-89.8	0	0	0	113.4	F92 L93 S100	F92-F96 HydrophobicContact CD1-CD2 4.3Å; F92-F96 AromaticContact CE1-CD2 3.66Å; F92-F96 HydrophobicContact CE1-CD2 3.66Å; F92-F96 HydrophobicContact CE1-CE2 4Å; F92-F96 HydrophobicContact CE1-CG 4.46Å; F92-F96 AromaticContact CE2-CD2 3.92Å; F92-F96 HydrophobicContact CE2-CD2 3.92Å; F92-F96 AromaticContact CE2-CE2 3.93Å; F92-F96 HydrophobicContact CE2-CE2 3.93Å; F92-F96 AromaticContact CZ-CD2 3.45Å; F92-F96 HydrophobicContact CZ-CD2 3.45Å; F92-F96 VanDerWaalsContact CZ-CD2 3.45Å; F92-F96 AromaticContact CZ-CE2 3.39Å; F92-F96 HydrophobicContact CZ-CE2 3.39Å; F92-F96 HydrophobicContact CZ-CZ 4.49Å; F92-F96 WeakPolarHBondContact O-CB 3.3Å; F92-F96 PolarHBondContact O-N 3.03Å; L93-F96 PolarHBondContact O-N 2.98Å; F96-S100 WeakPolarHBondContact O-CB 3.38Å; F96-S100 PolarHBondContact O-N 2.86Å
97	L	46	Very low	40.3	Very low	65 Å²	65	94.3 Å²	94.3	34%	0.34	46%	0.46	S	S	.	.	H	α-helix	trans	-68.3	-49.9	170.6	-84.5	159.2	0	0	0	110	L93 L99 S100 I101 L126	L93-L97 VanDerWaalsContact O-CB 3.27Å; L93-L97 WeakPolarHBondContact O-CB 3.42Å; L93-L97 PolarHBondContact O-N 3.41Å; L97-L99 PolarHBondContact O-N 2.92Å; L97-S100 PolarHBondContact O-N 3.43Å; L97-I101 HydrophobicContact CB-CD1 4.46Å; L97-I101 HydrophobicContact CD2-CD1 4.22Å; L97-I101 WeakPolarHBondContact O-CB 3.46Å; L97-I101 WeakPolarHBondContact O-CG1 3.29Å; L97-I101 PolarHBondContact O-N 3.2Å; L97-L126 HydrophobicContact CD2-CD2 4.09Å
98	T	45	Very low	39.9	Very low	39 Å²	39	92 Å²	92	24%	0.239	45%	0.449	C	S	.	.	H	α-helix	trans	-61.5	-41.9	176.2	52.5	0	0	0	0	111.9	L94 Y95 T102 Y145	L94-T98 VanDerWaalsContact O-CB 3.3Å; L94-T98 WeakPolarHBondContact O-CB 3.35Å; L94-T98 VanDerWaalsContact O-CG2 3.29Å; L94-T98 WeakPolarHBondContact O-CG2 3.37Å; L94-T98 PolarHBondContact O-N 3.44Å; L94-T98 PolarHBondContact O-OG1 3.35Å; Y95-T98 WeakPolarHBondContact CA-OG1 3.42Å; Y95-T98 PolarHBondContact O-OG1 3.03Å; T98-T102 WeakPolarHBondContact O-CA 3.29Å; T98-T102 WeakPolarHBondContact O-CB 3.45Å; T98-T102 VanDerWaalsContact O-CG2 3.26Å; T98-T102 WeakPolarHBondContact O-CG2 3.36Å; T98-T102 PolarHBondContact O-N 2.8Å; T98-T102 PolarHBondContact O-OG1 3.45Å; T98-Y145 HydrophobicContact CG2-CE2 4.22Å
99	L	42.5	Very low	39.8	Very low	68 Å²	68	94.3 Å²	94.3	36%	0.356	46%	0.458	S	S	.	.	H	α-helix	trans	-66.9	-46.9	172.5	-98.3	67.1	0	0	0	112.9	Y95 L97 I101 V103	Y95-L99 HydrophobicContact CD1-CD1 4.04Å; Y95-L99 HydrophobicContact CD1-CD2 4.38Å; Y95-L99 HydrophobicContact CD2-CD1 4.25Å; Y95-L99 HydrophobicContact CE1-CD1 3.67Å; Y95-L99 HydrophobicContact CE1-CD2 3.78Å; Y95-L99 HydrophobicContact CE1-CG 4.37Å; Y95-L99 HydrophobicContact CE2-CD1 3.91Å; Y95-L99 HydrophobicContact CG-CD1 4.31Å; Y95-L99 WeakPolarHBondContact O-CB 3.3Å; Y95-L99 WeakPolarHBondContact O-CD1 3.46Å; Y95-L99 PolarHBondContact O-N 3.23Å; L97-L99 PolarHBondContact O-N 2.92Å; L99-I101 VanDerWaalsContact C-N 3.3Å; L99-I101 PolarHBondContact O-N 3.2Å; L99-V103 WeakPolarHBondContact O-CB 3.43Å; L99-V103 WeakPolarHBondContact O-CG2 3.31Å; L99-V103 PolarHBondContact O-N 3.48Å
100	S	44.4	Very low	39.6	Very low	55 Å²	55	96.5 Å²	96.5	39%	0.385	48%	0.478	S	S	.	.	H	α-helix	trans	-67.8	-31.8	-177.3	-171.9	0	0	0	0	112.3	F96 L97 K104	F96-S100 WeakPolarHBondContact O-CB 3.38Å; F96-S100 PolarHBondContact O-N 2.86Å; L97-S100 PolarHBondContact O-N 3.43Å; S100-K104 VanDerWaalsContact O-CD 3.25Å; S100-K104 WeakPolarHBondContact O-CD 3.29Å; S100-K104 VanDerWaalsContact O-CG 3.29Å; S100-K104 WeakPolarHBondContact O-CG 3.45Å; S100-K104 PolarHBondContact OG-NZ 2.9Å; S100-K104 VanDerWaalsContact OG-NZ 3.12Å
101	I	42.1	Very low	39.2	Very low	41 Å²	41	92.2 Å²	92.2	21%	0.21	48%	0.475	C	S	.	.	H	α-helix	trans	-74.3	-67.6	170.3	-64.5	168.8	0	0	0	108.7	L97 L99 V103 K104 F105 L148	L97-I101 HydrophobicContact CB-CD1 4.46Å; L97-I101 HydrophobicContact CD2-CD1 4.22Å; L97-I101 WeakPolarHBondContact O-CB 3.46Å; L97-I101 WeakPolarHBondContact O-CG1 3.29Å; L97-I101 PolarHBondContact O-N 3.2Å; L99-I101 VanDerWaalsContact C-N 3.3Å; L99-I101 PolarHBondContact O-N 3.2Å; I101-V103 PolarHBondContact O-N 3.28Å; I101-K104 CarbonylContact O-C 3.52Å; I101-K104 WeakPolarHBondContact O-CA 3.43Å; I101-K104 PolarHBondContact O-N 3.36Å; I101-F105 HydrophobicContact CG2-CB 4.42Å; I101-F105 HydrophobicContact CG2-CD2 3.67Å; I101-F105 HydrophobicContact CG2-CE2 4.09Å; I101-F105 HydrophobicContact CG2-CG 4.09Å; I101-F105 WeakPolarHBondContact O-CB 3.07Å; I101-F105 PolarHBondContact O-N 3.26Å; I101-L148 HydrophobicContact CD1-CD1 4.41Å
102	T	37.2	Very low	38.6	Very low	65 Å²	65	97.8 Å²	97.8	40%	0.399	49%	0.49	S	S	.	.	H	α-helix	trans	-58.1	-40	-173.6	60.8	0	0	0	0	114	T98 K104 F105 C106	T98-T102 WeakPolarHBondContact O-CA 3.29Å; T98-T102 WeakPolarHBondContact O-CB 3.45Å; T98-T102 VanDerWaalsContact O-CG2 3.26Å; T98-T102 WeakPolarHBondContact O-CG2 3.36Å; T98-T102 PolarHBondContact O-N 2.8Å; T98-T102 PolarHBondContact O-OG1 3.45Å; T102-K104 PolarHBondContact O-N 3.04Å; T102-F105 PolarHBondContact O-N 2.84Å; T102-C106 WeakPolarHBondContact O-CB 3.44Å; T102-C106 PolarHBondContact O-N 3.27Å; T102-C106 PolarHBondContact O-SG 3.45Å
103	V	37.5	Very low	38.4	Very low	95 Å²	95	98.5 Å²	98.5	58%	0.576	50%	0.503	S	S	*	.	H	α-helix	trans	-67.8	-21.2	178.7	179.4	0	0	0	0	112.3	L99 I101	L99-V103 WeakPolarHBondContact O-CB 3.43Å; L99-V103 WeakPolarHBondContact O-CG2 3.31Å; L99-V103 PolarHBondContact O-N 3.48Å; I101-V103 PolarHBondContact O-N 3.28Å
104	K	37.1	Very low	38.1	Very low	135 Å²	135	98.3 Å²	98.3	59%	0.587	51%	0.514	S	S	*	.	H	α-helix	trans	-92.7	-40.7	171.7	-65.5	177.1	-170.3	150.6	0	112.5	S100 I101 T102 R107	S100-K104 VanDerWaalsContact O-CD 3.25Å; S100-K104 WeakPolarHBondContact O-CD 3.29Å; S100-K104 VanDerWaalsContact O-CG 3.29Å; S100-K104 WeakPolarHBondContact O-CG 3.45Å; S100-K104 PolarHBondContact OG-NZ 2.9Å; S100-K104 VanDerWaalsContact OG-NZ 3.12Å; I101-K104 CarbonylContact O-C 3.52Å; I101-K104 WeakPolarHBondContact O-CA 3.43Å; I101-K104 PolarHBondContact O-N 3.36Å; T102-K104 PolarHBondContact O-N 3.04Å; K104-R107 PolarHBondContact O-N 3.04Å
105	F	35.2	Very low	37.7	Very low	45 Å²	45	96.3 Å²	96.3	20%	0.197	51%	0.509	C	S	.	.	H	α-helix	trans	-72.2	-38.5	179.9	-99.6	-108.6	0	0	0	113.1	I101 T102 R107 F108 C109 L119 V151	I101-F105 HydrophobicContact CG2-CB 4.42Å; I101-F105 HydrophobicContact CG2-CD2 3.67Å; I101-F105 HydrophobicContact CG2-CE2 4.09Å; I101-F105 HydrophobicContact CG2-CG 4.09Å; I101-F105 WeakPolarHBondContact O-CB 3.07Å; I101-F105 PolarHBondContact O-N 3.26Å; T102-F105 PolarHBondContact O-N 2.84Å; F105-R107 PolarHBondContact O-N 2.96Å; F105-R107 VanDerWaalsContact O-N 3.07Å; F105-F108 CarbonylContact O-C 3.53Å; F105-F108 WeakPolarHBondContact O-CA 3.23Å; F105-F108 WeakPolarHBondContact O-CB 3.46Å; F105-F108 PolarHBondContact O-N 3.17Å; F105-C109 PolarHBondContact O-N 3.33Å; F105-C109 PolarHBondContact O-SG 2.91Å; F105-L119 HydrophobicContact CE1-CD1 4.06Å; F105-L119 HydrophobicContact CE2-CD2 3.63Å; F105-L119 HydrophobicContact CZ-CD1 3.6Å; F105-L119 HydrophobicContact CZ-CD2 3.48Å; F105-L119 VanDerWaalsContact CZ-CD2 3.48Å; F105-L119 HydrophobicContact CZ-CG 4.2Å; F105-V151 HydrophobicContact CE1-CG1 4.03Å; F105-V151 HydrophobicContact CE1-CG2 3.89Å; F105-V151 HydrophobicContact CZ-CG1 3.85Å
106	C	33.9	Very low	37.6	Very low	92 Å²	92	92.7 Å²	92.7	62%	0.622	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-4.9	174.6	-63.2	0	0	0	0	113.3	T102	T102-C106 WeakPolarHBondContact O-CB 3.44Å; T102-C106 PolarHBondContact O-N 3.27Å; T102-C106 PolarHBondContact O-SG 3.45Å
107	R	32.8	Very low	37.5	Very low	220 Å²	220	91.2 Å²	91.2	83%	0.83	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	6.6	165.2	-72.3	-174.9	169.4	-174.6	-0.9	113.3	K104 F105	K104-R107 PolarHBondContact O-N 3.04Å; F105-R107 PolarHBondContact O-N 2.96Å; F105-R107 VanDerWaalsContact O-N 3.07Å
108	F	32.6	Very low	37.4	Very low	92 Å²	92	90.2 Å²	90.2	40%	0.404	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-33	-170.1	-151.4	-105.1	0	0	0	112.8	F105 D110 G111 A118	F105-F108 CarbonylContact O-C 3.53Å; F105-F108 WeakPolarHBondContact O-CA 3.23Å; F105-F108 WeakPolarHBondContact O-CB 3.46Å; F105-F108 PolarHBondContact O-N 3.17Å; F108-D110 PolarHBondContact O-N 2.88Å; F108-G111 PolarHBondContact O-N 3.33Å; F108-A118 HydrophobicContact CE1-CB 3.98Å; F108-A118 HydrophobicContact CE2-CB 4.23Å; F108-A118 HydrophobicContact CZ-CB 3.38Å
109	C	34	Very low	37.4	Very low	90 Å²	90	89.7 Å²	89.7	61%	0.608	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.8	-179	-63.6	0	0	0	0	115.4	F105 G111	F105-C109 PolarHBondContact O-N 3.33Å; F105-C109 PolarHBondContact O-SG 2.91Å; C109-G111 PolarHBondContact O-N 3.18Å; C109-G111 VanDerWaalsContact O-N 3.08Å
110	D	32.6	Very low	37.7	Very low	163 Å²	163	92.6 Å²	92.6	87%	0.872	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-7.4	169.3	-76.9	-30.9	0	0	0	112.8	F108	F108-D110 PolarHBondContact O-N 2.88Å
111	G	30.8	Very low	37.9	Very low	42 Å²	42	94.4 Å²	94.4	43%	0.433	52%	0.523	S	S	.	.	S	Bend	trans	-111.6	82.9	-178.3	0	0	0	0	0	114.9	F108 C109 V113	F108-G111 PolarHBondContact O-N 3.33Å; C109-G111 PolarHBondContact O-N 3.18Å; C109-G111 VanDerWaalsContact O-N 3.08Å; G111-V113 PolarHBondContact O-N 2.98Å
112	Y	30.1	Very low	38.4	Very low	222 Å²	222	99 Å²	99	87%	0.871	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-34.5	111.4	172.4	-133.3	-88.4	0	0	0	114	A114	Y112-A114 PolarHBondContact O-N 3.42Å
113	V	35.7	Very low	38.9	Very low	123 Å²	123	97.7 Å²	97.7	75%	0.745	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-19	167.6	-176.8	0	0	0	0	117.4	G111 G115	G111-V113 PolarHBondContact O-N 2.98Å; V113-G115 VanDerWaalsContact C-N 3.34Å; V113-G115 PolarHBondContact O-N 3.37Å
114	A	37.8	Very low	39.2	Very low	87 Å²	87	102.1 Å²	102.1	72%	0.719	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-12.8	-177.2	0	0	0	0	0	114.3	Y112	Y112-A114 PolarHBondContact O-N 3.42Å
115	G	36.9	Very low	39.8	Very low	20 Å²	20	102.5 Å²	102.5	21%	0.206	56%	0.555	C	S	.	*	T	Hydrogen-bonded Turn	trans	-77.3	-13.2	-175.2	0	0	0	0	0	116.1	V113 P117 A118	V113-G115 VanDerWaalsContact C-N 3.34Å; V113-G115 PolarHBondContact O-N 3.37Å; G115-P117 VanDerWaalsContact C-CD 3.48Å; G115-A118 WeakPolarHBondContact O-CB 3.33Å; G115-A118 PolarHBondContact O-N 2.71Å
116	V	40.5	Very low	40.8	Very low	68 Å²	68	102.9 Å²	102.9	41%	0.412	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-51.3	-44.3	-169.9	-177.9	0	0	0	0	114.2	A118 L119	V116-A118 PolarHBondContact O-N 3.47Å; V116-A118 VanDerWaalsContact O-N 3.08Å; V116-L119 PolarHBondContact O-N 3.12Å
117	P	42.6	Very low	41.9	Very low	89 Å²	89	106.9 Å²	106.9	58%	0.578	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-65.4	-13.1	179.9	-21.4	34.5	0	0	0	115	G115	G115-P117 VanDerWaalsContact C-CD 3.48Å
118	A	44	Very low	43.3	Very low	43 Å²	43	99.2 Å²	99.2	36%	0.355	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-86.3	-11.5	179.7	0	0	0	0	0	113.7	F108 G115 V116 Y122	F108-A118 HydrophobicContact CE1-CB 3.98Å; F108-A118 HydrophobicContact CE2-CB 4.23Å; F108-A118 HydrophobicContact CZ-CB 3.38Å; G115-A118 WeakPolarHBondContact O-CB 3.33Å; G115-A118 PolarHBondContact O-N 2.71Å; V116-A118 PolarHBondContact O-N 3.47Å; V116-A118 VanDerWaalsContact O-N 3.08Å; A118-Y122 WeakPolarHBondContact O-CD2 3.45Å
119	L	45.8	Very low	45	Very low	29 Å²	29	96.9 Å²	96.9	15%	0.152	53%	0.531	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-21	175.2	-68.1	169.7	0	0	0	112.5	F105 V116 P121 Y122 A123 C155	F105-L119 HydrophobicContact CE1-CD1 4.06Å; F105-L119 HydrophobicContact CE2-CD2 3.63Å; F105-L119 HydrophobicContact CZ-CD1 3.6Å; F105-L119 HydrophobicContact CZ-CD2 3.48Å; F105-L119 VanDerWaalsContact CZ-CD2 3.48Å; F105-L119 HydrophobicContact CZ-CG 4.2Å; V116-L119 PolarHBondContact O-N 3.12Å; L119-P121 VanDerWaalsContact C-CD 3.42Å; L119-P121 VanDerWaalsContact C-N 3.31Å; L119-Y122 WeakPolarHBondContact O-CA 3.49Å; L119-Y122 PolarHBondContact O-N 3.39Å; L119-A123 PolarHBondContact O-N 2.9Å; L119-A123 VanDerWaalsContact O-N 3.13Å; L119-C155 HydrophobicContact CB-CB 4.39Å; L119-C155 HydrophobicContact CD1-CB 3.84Å
120	E	47.9	Very low	46.5	Very low	128 Å²	128	95.4 Å²	95.4	60%	0.598	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-50.1	-40.4	175.5	-147.5	163.8	-141.2	0	0	113.2	Y122 A123	E120-Y122 VanDerWaalsContact C-N 3.29Å; E120-Y122 PolarHBondContact O-N 3.18Å; E120-A123 PolarHBondContact O-N 3.28Å
121	P	48.5	Very low	47.7	Very low	94 Å²	94	95.6 Å²	95.6	61%	0.61	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-72.1	-13.3	174.6	-18.1	33.4	0	0	0	115.5	L119	L119-P121 VanDerWaalsContact C-CD 3.42Å; L119-P121 VanDerWaalsContact C-N 3.31Å
122	Y	51.8	Low	49.2	Very low	137 Å²	137	95.9 Å²	95.9	54%	0.537	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-103.4	-10.3	179.5	-63.1	-77.4	0	0	0	112.9	A118 L119 E120 E124 M125 L126	A118-Y122 WeakPolarHBondContact O-CD2 3.45Å; L119-Y122 WeakPolarHBondContact O-CA 3.49Å; L119-Y122 PolarHBondContact O-N 3.39Å; E120-Y122 VanDerWaalsContact C-N 3.29Å; E120-Y122 PolarHBondContact O-N 3.18Å; Y122-E124 VanDerWaalsContact C-N 3.26Å; Y122-E124 PolarHBondContact O-N 3.47Å; Y122-M125 WeakPolarHBondContact O-CA 3.21Å; Y122-M125 WeakPolarHBondContact O-CB 3.31Å; Y122-M125 PolarHBondContact O-N 3.31Å; Y122-L126 PolarHBondContact O-N 3.04Å
123	A	49.6	Very low	51.1	Low	38 Å²	38	85.7 Å²	85.7	31%	0.314	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.8	176.3	0	0	0	0	0	112.5	L119 E120 M125 M156	L119-A123 PolarHBondContact O-N 2.9Å; L119-A123 VanDerWaalsContact O-N 3.13Å; E120-A123 PolarHBondContact O-N 3.28Å; A123-M125 VanDerWaalsContact C-N 3.25Å; A123-M125 PolarHBondContact O-N 3.4Å; A123-M156 HydrophobicContact CB-CG 4.2Å
124	E	43.5	Very low	52.8	Low	188 Å²	188	83.7 Å²	83.7	88%	0.879	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.4	171.9	-64.8	-169.6	160.2	0	0	113.5	Y122	Y122-E124 VanDerWaalsContact C-N 3.26Å; Y122-E124 PolarHBondContact O-N 3.47Å
125	M	48.8	Very low	55.1	Low	143 Å²	143	79.5 Å²	79.5	70%	0.704	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-22	-173.3	-151.2	-172.7	79.5	0	0	113	Y122 A123	Y122-M125 WeakPolarHBondContact O-CA 3.21Å; Y122-M125 WeakPolarHBondContact O-CB 3.31Å; Y122-M125 PolarHBondContact O-N 3.31Å; A123-M125 VanDerWaalsContact C-N 3.25Å; A123-M125 PolarHBondContact O-N 3.4Å
126	L	55.7	Low	57.4	Low	53 Å²	53	79.9 Å²	79.9	28%	0.277	42%	0.416	S	S	.	.	S	Bend	trans	-97.9	98	168.8	-80.9	157.7	0	0	0	108.2	L97 Y122 M156	L97-L126 HydrophobicContact CD2-CD2 4.09Å; Y122-L126 PolarHBondContact O-N 3.04Å; L126-M156 HydrophobicContact CB-CE 4.09Å; L126-M156 HydrophobicContact CB-SD 3.9Å; L126-M156 HydrophobicContact CD1-CE 3.56Å; L126-M156 HydrophobicContact CD1-SD 4.32Å; L126-M156 HydrophobicContact CG-CE 4.42Å
127	R	57.2	Low	59.8	Low	176 Å²	176	76.7 Å²	76.7	66%	0.664	40%	0.396	S	S	*	.			trans	-55.2	135.7	168.6	-67.2	-177.8	-176.4	156.6	2.1	108.3	D129	R127-D129 WeakPolarHBondContact CB-O 3.47Å; R127-D129 PolarHBondContact O-N 2.91Å
128	P	62.9	Low	62	Low	58 Å²	58	72.6 Å²	72.6	38%	0.377	37%	0.37	S	S	.	.	S	Bend	trans	-64.3	-21.9	176.3	27.9	-35.3	0	0	0	111.8	S135 V136 M158 Y162	P128-S135 WeakPolarHBondContact O-CA 3.44Å; P128-V136 WeakPolarHBondContact O-CG2 3.26Å; P128-V136 PolarHBondContact O-N 3.04Å; P128-M158 HydrophobicContact CB-CE 3.75Å; P128-M158 HydrophobicContact CB-SD 4.4Å; P128-Y162 HydrophobicContact CB-CE1 4Å
129	D	68	Low	64	Low	43 Å²	43	72.3 Å²	72.3	23%	0.23	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-107.6	136	177.8	-54.9	-47.5	0	0	0	112.1	R127 Y162 G164 P165	R127-D129 WeakPolarHBondContact CB-O 3.47Å; R127-D129 PolarHBondContact O-N 2.91Å; D129-Y162 WeakPolarHBondContact OD1-CE1 3.25Å; D129-Y162 PolarHBondContact OD1-OH 3.49Å; D129-Y162 PolarHBondContact OD2-OH 3.33Å; D129-G164 WeakPolarHBondContact OD1-CA 3.45Å; D129-P165 HydrophobicContact CB-CG 4.5Å; D129-P165 WeakPolarHBondContact OD1-CD 3.42Å; D129-P165 WeakPolarHBondContact OD2-CD 3.24Å
130	L	65.9	Low	66.2	Low	59 Å²	59	71.1 Å²	71.1	31%	0.309	36%	0.357	S	S	.	.			trans	-71.2	160.4	163.1	-64.8	167.4	0	0	0	110.4	S132 G133 F134 V136 V139	L130-S132 PolarHBondContact O-N 2.98Å; L130-G133 PolarHBondContact O-N 2.78Å; L130-F134 PolarHBondContact N-O 3.17Å; L130-V136 HydrophobicContact CD2-CG2 4.14Å; L130-V136 HydrophobicContact CG-CG2 4.02Å; L130-V139 HydrophobicContact CD1-CB 4.25Å; L130-V139 HydrophobicContact CD1-CG1 4.46Å; L130-V139 HydrophobicContact CD1-CG2 3.7Å
131	E	58.3	Low	68.3	Low	167 Å²	167	65 Å²	65	78%	0.78	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.8	177.5	-60.1	-172.5	145.9	0	0	113.3	G133	E131-G133 VanDerWaalsContact C-N 3.25Å; E131-G133 PolarHBondContact O-N 2.96Å
132	S	62	Low	70.3	Confident	48 Å²	48	62.8 Å²	62.8	34%	0.336	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	1.4	170.7	51.1	0	0	0	0	115	L130 F134	L130-S132 PolarHBondContact O-N 2.98Å; S132-F134 VanDerWaalsContact C-N 3.34Å; S132-F134 WeakPolarHBondContact O-CD2 3.49Å; S132-F134 PolarHBondContact O-N 3.4Å
133	G	69.2	Low	72.1	Confident	9 Å²	9	57.9 Å²	57.9	9%	0.093	30%	0.303	C	S	.	.	S	Bend	trans	78.2	9.6	178.5	0	0	0	0	0	115.8	L130 E131 P165 K166	L130-G133 PolarHBondContact O-N 2.78Å; E131-G133 VanDerWaalsContact C-N 3.25Å; E131-G133 PolarHBondContact O-N 2.96Å; G133-P165 VanDerWaalsContact O-CD 3.28Å; G133-P165 WeakPolarHBondContact O-CD 3.24Å; G133-K166 PolarHBondContact O-N 3.25Å
134	F	73	Confident	74.1	Confident	80 Å²	80	57 Å²	57	35%	0.351	30%	0.298	S	S	.	.			trans	-94.5	141	175.3	-70.4	-87.3	0	0	0	110.6	L130 S132 V139	L130-F134 PolarHBondContact N-O 3.17Å; S132-F134 VanDerWaalsContact C-N 3.34Å; S132-F134 WeakPolarHBondContact O-CD2 3.49Å; S132-F134 PolarHBondContact O-N 3.4Å; F134-V139 HydrophobicContact CB-CG2 4.29Å
135	S	84.8	Confident	76.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-60.4	135.4	171.3	168.5	0	0	0	0	111.9	P128 L137 S138 V139 Y162 R163	P128-S135 WeakPolarHBondContact O-CA 3.44Å; S135-L137 PolarHBondContact O-N 3.15Å; S135-L137 WeakPolarHBondContact OG-CB 3.42Å; S135-L137 PolarHBondContact OG-N 3.24Å; S135-L137 VanDerWaalsContact OG-N 3.12Å; S135-S138 PolarHBondContact O-N 3.3Å; S135-S138 PolarHBondContact OG-N 3Å; S135-V139 PolarHBondContact O-N 3.21Å; S135-V139 VanDerWaalsContact O-N 3.1Å; S135-Y162 WeakPolarHBondContact CB-O 3.48Å; S135-Y162 PolarHBondContact OG-O 2.81Å; S135-R163 WeakPolarHBondContact CB-O 3.34Å; S135-R163 PolarHBondContact N-O 3.22Å; S135-R163 VanDerWaalsContact N-O 3.15Å
136	V	85.9	Confident	78.4	Confident	28 Å²	28	46.6 Å²	46.6	17%	0.17	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-28.2	171.6	177.7	0	0	0	0	110.9	P128 L130 A140 L152	P128-V136 WeakPolarHBondContact O-CG2 3.26Å; P128-V136 PolarHBondContact O-N 3.04Å; L130-V136 HydrophobicContact CD2-CG2 4.14Å; L130-V136 HydrophobicContact CG-CG2 4.02Å; V136-A140 VanDerWaalsContact O-CB 3.31Å; V136-A140 WeakPolarHBondContact O-CB 3.44Å; V136-A140 PolarHBondContact O-N 2.85Å; V136-L152 HydrophobicContact CG1-CD1 4.09Å; V136-L152 HydrophobicContact CG1-CD2 4.09Å
137	L	89.9	Confident	79.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69	-44.7	174.5	-175.7	64.9	0	0	0	111.6	S135 V139 A140 A141 V149 L152 L153 M158 G159 P171	S135-L137 PolarHBondContact O-N 3.15Å; S135-L137 WeakPolarHBondContact OG-CB 3.42Å; S135-L137 PolarHBondContact OG-N 3.24Å; S135-L137 VanDerWaalsContact OG-N 3.12Å; L137-V139 VanDerWaalsContact C-N 3.34Å; L137-V139 PolarHBondContact O-N 2.93Å; L137-A140 PolarHBondContact O-N 3.5Å; L137-A141 VanDerWaalsContact O-CB 3.24Å; L137-A141 WeakPolarHBondContact O-CB 3.49Å; L137-A141 PolarHBondContact O-N 3.31Å; L137-V149 HydrophobicContact CD1-CB 4.37Å; L137-V149 HydrophobicContact CD1-CG1 3.95Å; L137-V149 HydrophobicContact CD1-CG2 4.35Å; L137-L152 HydrophobicContact CB-CD1 4.4Å; L137-L152 HydrophobicContact CD1-CB 3.92Å; L137-L152 HydrophobicContact CD1-CD1 4.11Å; L137-L153 HydrophobicContact CD1-CD2 4.18Å; L137-L153 HydrophobicContact CD1-CG 4.13Å; L137-L153 HydrophobicContact CD2-CD2 3.83Å; L137-M158 HydrophobicContact CB-CE 3.79Å; L137-M158 HydrophobicContact CB-SD 4.22Å; L137-M158 HydrophobicContact CD2-CB 4.2Å; L137-G159 WeakPolarHBondContact CD2-O 3.39Å; L137-P171 HydrophobicContact CB-CG 4.21Å; L137-P171 HydrophobicContact CD2-CB 4.38Å; L137-P171 HydrophobicContact CD2-CG 3.84Å; L137-P171 HydrophobicContact CG-CB 3.98Å; L137-P171 HydrophobicContact CG-CG 3.72Å
138	S	89.4	Confident	81.3	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.028	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-41.1	172.8	-86.2	0	0	0	0	112.6	S135 A141 S142 D174	S135-S138 PolarHBondContact O-N 3.3Å; S135-S138 PolarHBondContact OG-N 3Å; S138-A141 PolarHBondContact O-N 3.46Å; S138-S142 PolarHBondContact O-N 3.03Å; S138-S142 PolarHBondContact O-OG 3.49Å; S138-D174 WeakPolarHBondContact CB-OD2 3.35Å; S138-D174 PolarHBondContact OG-OD2 3.05Å
139	V	86.8	Confident	82.5	Confident	37 Å²	37	42.4 Å²	42.4	22%	0.224	23%	0.229	C	C	.	.	H	α-helix	trans	-72.7	-34.7	178.4	176.7	0	0	0	0	112.2	L94 L130 F134 S135 L137 A141 S142 A143	L94-V139 HydrophobicContact CD2-CG1 4.2Å; L130-V139 HydrophobicContact CD1-CB 4.25Å; L130-V139 HydrophobicContact CD1-CG1 4.46Å; L130-V139 HydrophobicContact CD1-CG2 3.7Å; F134-V139 HydrophobicContact CB-CG2 4.29Å; S135-V139 PolarHBondContact O-N 3.21Å; S135-V139 VanDerWaalsContact O-N 3.1Å; L137-V139 VanDerWaalsContact C-N 3.34Å; L137-V139 PolarHBondContact O-N 2.93Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-S142 PolarHBondContact O-OG 3.42Å; V139-A143 VanDerWaalsContact O-CB 3.24Å; V139-A143 WeakPolarHBondContact O-CB 3.31Å; V139-A143 PolarHBondContact O-N 3.1Å
140	A	90.8	Very high	83.5	Confident	3 Å²	3	43.3 Å²	43.3	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-36.5	171.3	0	0	0	0	0	111.8	V136 L137 G144 Y145 L148 V149 L152	V136-A140 VanDerWaalsContact O-CB 3.31Å; V136-A140 WeakPolarHBondContact O-CB 3.44Å; V136-A140 PolarHBondContact O-N 2.85Å; L137-A140 PolarHBondContact O-N 3.5Å; A140-G144 PolarHBondContact O-N 2.87Å; A140-Y145 PolarHBondContact O-N 3.23Å; A140-L148 HydrophobicContact CB-CB 4.39Å; A140-L148 HydrophobicContact CB-CD2 3.82Å; A140-L148 HydrophobicContact CB-CG 3.97Å; A140-V149 HydrophobicContact CB-CG2 3.77Å; A140-L152 HydrophobicContact CB-CD1 3.89Å
141	A	92.8	Very high	84.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-72.4	-48.4	-179.4	0	0	0	0	0	113	L137 S138 V139 A143 G144 V149 P171 A175 H180 V183 L187	L137-A141 VanDerWaalsContact O-CB 3.24Å; L137-A141 WeakPolarHBondContact O-CB 3.49Å; L137-A141 PolarHBondContact O-N 3.31Å; S138-A141 PolarHBondContact O-N 3.46Å; V139-A141 VanDerWaalsContact C-N 3.33Å; A141-A143 PolarHBondContact O-N 3.14Å; A141-G144 PolarHBondContact O-N 3.1Å; A141-V149 HydrophobicContact CB-CG2 4.37Å; A141-P171 HydrophobicContact CB-CB 3.91Å; A141-P171 WeakPolarHBondContact CB-O 3.46Å; A141-A175 HydrophobicContact CB-CB 4.32Å; A141-H180 PolarHBondContact O-CD2 3.5Å; A141-H180 VanDerWaalsContact O-CD2 3.22Å; A141-V183 HydrophobicContact CB-CG1 3.81Å; A141-L187 HydrophobicContact CB-CD1 4.26Å
142	S	90.8	Very high	85.8	Confident	48 Å²	48	34.1 Å²	34.1	34%	0.336	19%	0.189	S	C	.	.	H	α-helix	trans	-62.4	-21.2	174.4	51.7	0	0	0	0	113.7	S138 V139 H180	S138-S142 PolarHBondContact O-N 3.03Å; S138-S142 PolarHBondContact O-OG 3.49Å; V139-S142 PolarHBondContact O-OG 3.42Å; S142-H180 PolarHBondContact O-NE2 3.39Å
143	A	90.1	Very high	87.1	Confident	33 Å²	33	32.5 Å²	32.5	27%	0.273	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	2.9	178.7	0	0	0	0	0	114.9	V139 A141 Y145	V139-A143 VanDerWaalsContact O-CB 3.24Å; V139-A143 WeakPolarHBondContact O-CB 3.31Å; V139-A143 PolarHBondContact O-N 3.1Å; A141-A143 PolarHBondContact O-N 3.14Å; A143-Y145 VanDerWaalsContact C-N 3.32Å; A143-Y145 HydrophobicContact CB-CD2 3.84Å; A143-Y145 HydrophobicContact CB-CE1 4.49Å; A143-Y145 HydrophobicContact CB-CE2 3.76Å; A143-Y145 HydrophobicContact CB-CG 4.26Å; A143-Y145 WeakPolarHBondContact O-CD1 3.46Å; A143-Y145 PolarHBondContact O-N 3.31Å
144	G	90.9	Very high	87.9	Confident	19 Å²	19	36.3 Å²	36.3	20%	0.196	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	20.8	178.3	0	0	0	0	0	114.7	A140 A141 C146 H180	A140-G144 PolarHBondContact O-N 2.87Å; A141-G144 PolarHBondContact O-N 3.1Å; G144-C146 VanDerWaalsContact C-N 3.31Å; G144-C146 PolarHBondContact O-N 3.12Å; G144-C146 VanDerWaalsContact O-N 3.07Å; G144-H180 VanDerWaalsContact CA-CG 3.45Å; G144-H180 PolarHBondContact N-CD2 3.46Å
145	Y	91.3	Very high	88.3	Confident	97 Å²	97	33.9 Å²	33.9	38%	0.38	19%	0.187	S	C	.	.			trans	-88	64.6	-176.1	-62.3	-27.5	0	0	0	112	T98 A140 A143 E147 L148 V149	T98-Y145 HydrophobicContact CG2-CE2 4.22Å; A140-Y145 PolarHBondContact O-N 3.23Å; A143-Y145 VanDerWaalsContact C-N 3.32Å; A143-Y145 HydrophobicContact CB-CD2 3.84Å; A143-Y145 HydrophobicContact CB-CE1 4.49Å; A143-Y145 HydrophobicContact CB-CE2 3.76Å; A143-Y145 HydrophobicContact CB-CG 4.26Å; A143-Y145 WeakPolarHBondContact O-CD1 3.46Å; A143-Y145 PolarHBondContact O-N 3.31Å; Y145-E147 VanDerWaalsContact C-N 3.34Å; Y145-E147 PolarHBondContact O-N 3.43Å; Y145-L148 HydrophobicContact CD2-CD2 4.34Å; Y145-L148 WeakPolarHBondContact O-CA 3.4Å; Y145-L148 WeakPolarHBondContact O-CB 3.29Å; Y145-L148 PolarHBondContact O-N 3.08Å; Y145-V149 PolarHBondContact O-N 2.87Å
146	C	90.4	Very high	87.9	Confident	17 Å²	17	36 Å²	36	12%	0.115	20%	0.198	C	C	.	.	H	α-helix	trans	-52.8	-42.8	-175.2	-171.5	0	0	0	0	114.2	G144 L148 V149 H150 D182 V183	G144-C146 VanDerWaalsContact C-N 3.31Å; G144-C146 PolarHBondContact O-N 3.12Å; G144-C146 VanDerWaalsContact O-N 3.07Å; C146-L148 VanDerWaalsContact C-N 3.31Å; C146-L148 PolarHBondContact O-N 3.32Å; C146-V149 WeakPolarHBondContact O-CB 3.48Å; C146-V149 PolarHBondContact O-N 2.76Å; C146-H150 PolarHBondContact O-CD2 3.2Å; C146-H150 VanDerWaalsContact O-CD2 3.32Å; C146-H150 PolarHBondContact O-N 3.02Å; C146-H150 VanDerWaalsContact SG-CD2 3.58Å; C146-D182 HydrophobicContact CB-CB 4.4Å; C146-D182 WeakPolarHBondContact CB-OD2 3.35Å; C146-V183 HydrophobicContact CB-CG2 3.81Å
147	E	87.5	Confident	87.7	Confident	156 Å²	156	44.3 Å²	44.3	73%	0.729	23%	0.226	S	C	*	.	H	α-helix	trans	-58.7	-38.7	173.2	-70.6	-68.9	161.7	0	0	113.1	Y145 V151	Y145-E147 VanDerWaalsContact C-N 3.34Å; Y145-E147 PolarHBondContact O-N 3.43Å; E147-V151 VanDerWaalsContact O-CG2 3.3Å; E147-V151 WeakPolarHBondContact O-CG2 3.44Å; E147-V151 PolarHBondContact O-N 3.26Å; E147-V151 VanDerWaalsContact O-N 3.1Å
148	L	86.8	Confident	87.4	Confident	43 Å²	43	45.3 Å²	45.3	23%	0.225	23%	0.231	C	C	.	.	H	α-helix	trans	-72.6	-38.9	176.8	-179.5	59.3	0	0	0	111	I101 A140 Y145 C146 V151 L152	I101-L148 HydrophobicContact CD1-CD1 4.41Å; A140-L148 HydrophobicContact CB-CB 4.39Å; A140-L148 HydrophobicContact CB-CD2 3.82Å; A140-L148 HydrophobicContact CB-CG 3.97Å; Y145-L148 HydrophobicContact CD2-CD2 4.34Å; Y145-L148 WeakPolarHBondContact O-CA 3.4Å; Y145-L148 WeakPolarHBondContact O-CB 3.29Å; Y145-L148 PolarHBondContact O-N 3.08Å; C146-L148 VanDerWaalsContact C-N 3.31Å; C146-L148 PolarHBondContact O-N 3.32Å; L148-V151 PolarHBondContact O-N 3.25Å; L148-L152 HydrophobicContact CD1-CD1 4.25Å; L148-L152 HydrophobicContact CD1-CG 4.27Å; L148-L152 HydrophobicContact CG-CD1 3.9Å; L148-L152 HydrophobicContact CG-CG 4.41Å; L148-L152 WeakPolarHBondContact O-CB 3.38Å; L148-L152 WeakPolarHBondContact O-CD1 3.37Å; L148-L152 WeakPolarHBondContact O-CG 3.24Å; L148-L152 PolarHBondContact O-N 2.96Å
149	V	89.1	Confident	87.5	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-50.8	173	171.8	0	0	0	0	110.3	L137 A140 A141 Y145 C146 V151 L152 L153 V183 L187	L137-V149 HydrophobicContact CD1-CB 4.37Å; L137-V149 HydrophobicContact CD1-CG1 3.95Å; L137-V149 HydrophobicContact CD1-CG2 4.35Å; A140-V149 HydrophobicContact CB-CG2 3.77Å; A141-V149 HydrophobicContact CB-CG2 4.37Å; Y145-V149 PolarHBondContact O-N 2.87Å; C146-V149 WeakPolarHBondContact O-CB 3.48Å; C146-V149 PolarHBondContact O-N 2.76Å; V149-V151 VanDerWaalsContact C-N 3.29Å; V149-V151 PolarHBondContact O-N 3.32Å; V149-L152 PolarHBondContact O-N 3.21Å; V149-L153 HydrophobicContact CG1-CD1 3.67Å; V149-L153 HydrophobicContact CG1-CG 4.39Å; V149-L153 WeakPolarHBondContact O-CB 3.38Å; V149-L153 VanDerWaalsContact O-CG 3.24Å; V149-L153 WeakPolarHBondContact O-CG 3.39Å; V149-L153 PolarHBondContact O-N 3.22Å; V149-V183 HydrophobicContact CG1-CG1 4.47Å; V149-V183 HydrophobicContact CG2-CG1 4.18Å; V149-L187 HydrophobicContact CG1-CD2 4.01Å; V149-L187 HydrophobicContact CG1-CG 4.12Å
150	H	88.3	Confident	87.7	Confident	61 Å²	61	46.3 Å²	46.3	28%	0.282	25%	0.245	S	C	.	.	H	α-helix	trans	-54	-41.9	173.3	-85.6	-69.3	0	0	0	112.8	C146 N154 C186 H190	C146-H150 PolarHBondContact O-CD2 3.2Å; C146-H150 VanDerWaalsContact O-CD2 3.32Å; C146-H150 PolarHBondContact O-N 3.02Å; C146-H150 VanDerWaalsContact SG-CD2 3.58Å; H150-N154 VanDerWaalsContact O-CB 3.31Å; H150-N154 WeakPolarHBondContact O-CB 3.39Å; H150-N154 PolarHBondContact O-N 2.9Å; H150-N154 PolarHBondContact O-ND2 3.35Å; H150-C186 VanDerWaalsContact CD2-SG 3.57Å; H150-C186 PolarHBondContact CE1-SG 3.35Å; H150-C186 VanDerWaalsContact CG-SG 3.56Å; H150-C186 PolarHBondContact ND1-SG 2.98Å; H150-C186 VanDerWaalsContact ND1-SG 3.42Å; H150-C186 PolarHBondContact NE2-SG 3Å; H150-C186 VanDerWaalsContact NE2-SG 3.42Å; H150-H190 AromaticContact CE1-CE1 3.72Å; H150-H190 AromaticContact ND1-CE1 3.45Å; H150-H190 PolarHBondContact ND1-CE1 2.9Å; H150-H190 AromaticContact ND1-NE2 3.87Å
151	V	84.8	Confident	87.8	Confident	30 Å²	30	48.8 Å²	48.8	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-69.2	-41.7	177.7	167.9	0	0	0	0	112.2	F105 E147 L148 V149 C155 M156	F105-V151 HydrophobicContact CE1-CG1 4.03Å; F105-V151 HydrophobicContact CE1-CG2 3.89Å; F105-V151 HydrophobicContact CZ-CG1 3.85Å; E147-V151 VanDerWaalsContact O-CG2 3.3Å; E147-V151 WeakPolarHBondContact O-CG2 3.44Å; E147-V151 PolarHBondContact O-N 3.26Å; E147-V151 VanDerWaalsContact O-N 3.1Å; L148-V151 PolarHBondContact O-N 3.25Å; V149-V151 VanDerWaalsContact C-N 3.29Å; V149-V151 PolarHBondContact O-N 3.32Å; V151-C155 HydrophobicContact CG1-CB 4.28Å; V151-C155 WeakPolarHBondContact O-CA 3.46Å; V151-C155 VanDerWaalsContact O-CB 3.23Å; V151-C155 WeakPolarHBondContact O-CB 3.44Å; V151-C155 PolarHBondContact O-N 3.49Å; V151-M156 PolarHBondContact O-N 2.9Å
152	L	87.3	Confident	87.7	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-42.2	178.2	-71	162.5	0	0	0	111.5	V136 L137 A140 L148 V149 M156 R157 M158	V136-L152 HydrophobicContact CG1-CD1 4.09Å; V136-L152 HydrophobicContact CG1-CD2 4.09Å; L137-L152 HydrophobicContact CB-CD1 4.4Å; L137-L152 HydrophobicContact CD1-CB 3.92Å; L137-L152 HydrophobicContact CD1-CD1 4.11Å; A140-L152 HydrophobicContact CB-CD1 3.89Å; L148-L152 HydrophobicContact CD1-CD1 4.25Å; L148-L152 HydrophobicContact CD1-CG 4.27Å; L148-L152 HydrophobicContact CG-CD1 3.9Å; L148-L152 HydrophobicContact CG-CG 4.41Å; L148-L152 WeakPolarHBondContact O-CB 3.38Å; L148-L152 WeakPolarHBondContact O-CD1 3.37Å; L148-L152 WeakPolarHBondContact O-CG 3.24Å; L148-L152 PolarHBondContact O-N 2.96Å; V149-L152 PolarHBondContact O-N 3.21Å; L152-M156 HydrophobicContact CD2-CE 3.56Å; L152-M156 HydrophobicContact CD2-SD 4.46Å; L152-M156 CarbonylContact O-C 3.5Å; L152-M156 PolarHBondContact O-N 2.97Å; L152-R157 PolarHBondContact O-N 3.15Å; L152-M158 HydrophobicContact CB-SD 4.07Å; L152-M158 HydrophobicContact CD2-SD 3.66Å; L152-M158 HydrophobicContact CG-SD 4.37Å; L152-M158 PolarHBondContact O-N 2.16Å
153	L	88.9	Confident	87.6	Confident	14 Å²	14	53.6 Å²	53.6	7%	0.073	27%	0.269	C	S	.	.	H	α-helix	trans	-68.4	-53.2	176.7	-63.4	167.4	0	0	0	111.7	L137 V149 R157 P160 L187 H190	L137-L153 HydrophobicContact CD1-CD2 4.18Å; L137-L153 HydrophobicContact CD1-CG 4.13Å; L137-L153 HydrophobicContact CD2-CD2 3.83Å; V149-L153 HydrophobicContact CG1-CD1 3.67Å; V149-L153 HydrophobicContact CG1-CG 4.39Å; V149-L153 WeakPolarHBondContact O-CB 3.38Å; V149-L153 VanDerWaalsContact O-CG 3.24Å; V149-L153 WeakPolarHBondContact O-CG 3.39Å; V149-L153 PolarHBondContact O-N 3.22Å; L153-R157 VanDerWaalsContact O-CA 3.23Å; L153-R157 WeakPolarHBondContact O-CA 3.35Å; L153-R157 PolarHBondContact O-N 2.87Å; L153-P160 HydrophobicContact CD2-CB 4.02Å; L153-L187 HydrophobicContact CD1-CD2 4.08Å; L153-L187 HydrophobicContact CD2-CD2 4.42Å; L153-H190 HydrophobicContact CD1-CB 3.92Å
154	N	86.7	Confident	87.3	Confident	89 Å²	89	52.7 Å²	52.7	48%	0.476	26%	0.263	S	S	.	.	H	α-helix	trans	-81.7	-42.7	-172.5	-72	-81.9	0	0	0	114.2	H150 H190	H150-N154 VanDerWaalsContact O-CB 3.31Å; H150-N154 WeakPolarHBondContact O-CB 3.39Å; H150-N154 PolarHBondContact O-N 2.9Å; H150-N154 PolarHBondContact O-ND2 3.35Å; N154-H190 PolarHBondContact ND2-NE2 3.12Å
155	C	80.5	Confident	86.8	Confident	28 Å²	28	56.2 Å²	56.2	19%	0.189	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-37.2	-171.9	-59	0	0	0	0	112.3	L119 V151	L119-C155 HydrophobicContact CB-CB 4.39Å; L119-C155 HydrophobicContact CD1-CB 3.84Å; V151-C155 HydrophobicContact CG1-CB 4.28Å; V151-C155 WeakPolarHBondContact O-CA 3.46Å; V151-C155 VanDerWaalsContact O-CB 3.23Å; V151-C155 WeakPolarHBondContact O-CB 3.44Å; V151-C155 PolarHBondContact O-N 3.49Å
156	M	78.1	Confident	86.1	Confident	46 Å²	46	56.6 Å²	56.6	23%	0.227	29%	0.286	C	S	.	.	S	Bend	trans	-98	-5.2	176.8	-70.3	-165.2	-105.8	0	0	114.2	A123 L126 V151 L152 M158	A123-M156 HydrophobicContact CB-CG 4.2Å; L126-M156 HydrophobicContact CB-CE 4.09Å; L126-M156 HydrophobicContact CB-SD 3.9Å; L126-M156 HydrophobicContact CD1-CE 3.56Å; L126-M156 HydrophobicContact CD1-SD 4.32Å; L126-M156 HydrophobicContact CG-CE 4.42Å; V151-M156 PolarHBondContact O-N 2.9Å; L152-M156 HydrophobicContact CD2-CE 3.56Å; L152-M156 HydrophobicContact CD2-SD 4.46Å; L152-M156 CarbonylContact O-C 3.5Å; L152-M156 PolarHBondContact O-N 2.97Å; M156-M158 HydrophobicContact CB-CG 4.39Å; M156-M158 PolarHBondContact O-N 3.47Å
157	R	80.8	Confident	85.5	Confident	201 Å²	201	56.6 Å²	56.6	76%	0.758	29%	0.289	S	S	*	.			trans	55.6	33.9	176.7	-51.1	-173.6	-172	-162.2	6.5	113.4	L152 L153 G159	L152-R157 PolarHBondContact O-N 3.15Å; L153-R157 VanDerWaalsContact O-CA 3.23Å; L153-R157 WeakPolarHBondContact O-CA 3.35Å; L153-R157 PolarHBondContact O-N 2.87Å; R157-G159 PolarHBondContact O-N 3.49Å
158	M	84.3	Confident	85.5	Confident	21 Å²	21	51.9 Å²	51.9	10%	0.103	27%	0.269	C	S	.	.			trans	-63.3	135.4	169.9	-65.2	-172	68.1	0	0	108.9	P128 L137 L152 M156 Y162	P128-M158 HydrophobicContact CB-CE 3.75Å; P128-M158 HydrophobicContact CB-SD 4.4Å; L137-M158 HydrophobicContact CB-CE 3.79Å; L137-M158 HydrophobicContact CB-SD 4.22Å; L137-M158 HydrophobicContact CD2-CB 4.2Å; L152-M158 HydrophobicContact CB-SD 4.07Å; L152-M158 HydrophobicContact CD2-SD 3.66Å; L152-M158 HydrophobicContact CG-SD 4.37Å; L152-M158 PolarHBondContact O-N 2.16Å; M156-M158 HydrophobicContact CB-CG 4.39Å; M156-M158 PolarHBondContact O-N 3.47Å; M158-Y162 HydrophobicContact CE-CD1 3.58Å; M158-Y162 HydrophobicContact CE-CE1 4.11Å
159	G	89.7	Confident	85.7	Confident	39 Å²	39	51.4 Å²	51.4	40%	0.402	27%	0.268	S	S	.	.			trans	-64.1	138.3	172.2	0	0	0	0	0	109.9	L137 R157 D161 Y162	L137-G159 WeakPolarHBondContact CD2-O 3.39Å; R157-G159 PolarHBondContact O-N 3.49Å; G159-D161 PolarHBondContact O-N 3.27Å; G159-Y162 WeakPolarHBondContact O-CB 3.4Å; G159-Y162 PolarHBondContact O-N 3.01Å
160	P	92.6	Very high	86	Confident	23 Å²	23	51.4 Å²	51.4	15%	0.149	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-30.6	-174.1	24	-33.5	0	0	0	112.9	L153 Y162 P171 L187 A192	L153-P160 HydrophobicContact CD2-CB 4.02Å; P160-Y162 VanDerWaalsContact C-N 3.31Å; P160-Y162 PolarHBondContact O-N 3.03Å; P160-P171 WeakPolarHBondContact O-CD 3.21Å; P160-P171 VanDerWaalsContact O-CG 3.31Å; P160-P171 WeakPolarHBondContact O-CG 3.45Å; P160-L187 HydrophobicContact CB-CD2 4.41Å; P160-A192 HydrophobicContact CB-CB 3.9Å; P160-A192 HydrophobicContact CG-CB 4.47Å
161	D	93	Very high	86.3	Confident	56 Å²	56	48.5 Å²	48.5	30%	0.299	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	8.4	178.9	-45.2	-69.5	0	0	0	113.9	G159 R163 T170 A192 D193	G159-D161 PolarHBondContact O-N 3.27Å; D161-R163 VanDerWaalsContact O-CG 3.24Å; D161-R163 WeakPolarHBondContact O-CG 3.36Å; D161-R163 PolarHBondContact O-N 3.21Å; D161-T170 HydrophobicContact CB-CG2 4.12Å; D161-A192 WeakPolarHBondContact OD1-CA 3.16Å; D161-D193 PolarHBondContact OD1-N 3.49Å
162	Y	89.8	Confident	86.9	Confident	86 Å²	86	47 Å²	47	34%	0.337	25%	0.246	S	C	.	.			trans	-73.8	98.8	-172.3	-173.7	-101	0	0	0	112.6	P128 D129 S135 M158 G159 P160	P128-Y162 HydrophobicContact CB-CE1 4Å; D129-Y162 WeakPolarHBondContact OD1-CE1 3.25Å; D129-Y162 PolarHBondContact OD1-OH 3.49Å; D129-Y162 PolarHBondContact OD2-OH 3.33Å; S135-Y162 WeakPolarHBondContact CB-O 3.48Å; S135-Y162 PolarHBondContact OG-O 2.81Å; M158-Y162 HydrophobicContact CE-CD1 3.58Å; M158-Y162 HydrophobicContact CE-CE1 4.11Å; G159-Y162 WeakPolarHBondContact O-CB 3.4Å; G159-Y162 PolarHBondContact O-N 3.01Å; P160-Y162 VanDerWaalsContact C-N 3.31Å; P160-Y162 PolarHBondContact O-N 3.03Å
163	R	88.1	Confident	87.3	Confident	62 Å²	62	46.9 Å²	46.9	23%	0.234	25%	0.245	C	C	.	.			trans	-72.8	-28.2	-178.9	-38.2	-165.9	-179.6	-177.1	0.5	114	S135 D161 G167 D168 C169 T170 H197	S135-R163 WeakPolarHBondContact CB-O 3.34Å; S135-R163 PolarHBondContact N-O 3.22Å; S135-R163 VanDerWaalsContact N-O 3.15Å; D161-R163 VanDerWaalsContact O-CG 3.24Å; D161-R163 WeakPolarHBondContact O-CG 3.36Å; D161-R163 PolarHBondContact O-N 3.21Å; R163-G167 WeakPolarHBondContact CB-O 3.49Å; R163-G167 WeakPolarHBondContact O-CA 3.43Å; R163-D168 VanDerWaalsContact CD-O 3.25Å; R163-D168 WeakPolarHBondContact CD-O 3.35Å; R163-D168 PolarHBondContact NH1-O 3.49Å; R163-C169 VanDerWaalsContact CB-O 3.24Å; R163-C169 WeakPolarHBondContact CB-O 3.45Å; R163-C169 WeakPolarHBondContact CD-O 3.45Å; R163-C169 WeakPolarHBondContact CG-O 3.22Å; R163-T170 HydrophobicContact CG-CG2 4.39Å; R163-H197 VanDerWaalsContact CZ-O 3.29Å; R163-H197 PolarHBondContact NH1-O 3.02Å; R163-H197 PolarHBondContact NH2-O 3.3Å
164	G	83.8	Confident	87.6	Confident	14 Å²	14	47.9 Å²	47.9	14%	0.144	25%	0.251	C	S	.	.			trans	84.3	168.3	-167.9	0	0	0	0	0	112.5	D129 K166 G167	D129-G164 WeakPolarHBondContact OD1-CA 3.45Å; G164-K166 VanDerWaalsContact C-N 3.25Å; G164-K166 PolarHBondContact O-N 3.07Å; G164-K166 VanDerWaalsContact O-N 3.17Å; G164-G167 PolarHBondContact O-N 3.19Å; G164-G167 VanDerWaalsContact O-N 3.1Å
165	P	80.9	Confident	88.1	Confident	94 Å²	94	43.7 Å²	43.7	61%	0.61	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.6	-167.3	28.2	-36.7	0	0	0	115.4	D129 G133	D129-P165 HydrophobicContact CB-CG 4.5Å; D129-P165 WeakPolarHBondContact OD1-CD 3.42Å; D129-P165 WeakPolarHBondContact OD2-CD 3.24Å; G133-P165 VanDerWaalsContact O-CD 3.28Å; G133-P165 WeakPolarHBondContact O-CD 3.24Å
166	K	77.8	Confident	88.9	Confident	105 Å²	105	42.3 Å²	42.3	46%	0.457	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	6.7	169.7	-62.5	-167.8	178.6	-172.7	0	113.2	E37 G133 G164	E37-K166 IonicContact OE1-NZ 3.32Å; E37-K166 PolarHBondContact OE1-NZ 3.47Å; E37-K166 IonicContact OE2-NZ 3.33Å; G133-K166 PolarHBondContact O-N 3.25Å; G164-K166 VanDerWaalsContact C-N 3.25Å; G164-K166 PolarHBondContact O-N 3.07Å; G164-K166 VanDerWaalsContact O-N 3.17Å
167	G	76	Confident	89.8	Confident	16 Å²	16	41.6 Å²	41.6	17%	0.165	22%	0.219	C	C	.	.			trans	-84.4	125.1	-178.8	0	0	0	0	0	111.9	R163 G164	R163-G167 WeakPolarHBondContact CB-O 3.49Å; R163-G167 WeakPolarHBondContact O-CA 3.43Å; G164-G167 PolarHBondContact O-N 3.19Å; G164-G167 VanDerWaalsContact O-N 3.1Å
168	D	88.3	Confident	90.5	Very high	58 Å²	58	33.8 Å²	33.8	31%	0.31	20%	0.197	S	C	.	.			trans	-92.8	-35.6	172.8	-171.4	36.7	0	0	0	112.9	R163 S199	R163-D168 VanDerWaalsContact CD-O 3.25Å; R163-D168 WeakPolarHBondContact CD-O 3.35Å; R163-D168 PolarHBondContact NH1-O 3.49Å; D168-S199 VanDerWaalsContact CG-N 3.29Å; D168-S199 WeakPolarHBondContact OD1-CB 3.38Å; D168-S199 PolarHBondContact OD1-N 3.43Å; D168-S199 PolarHBondContact OD1-OG 3.02Å; D168-S199 VanDerWaalsContact OD2-CB 3.28Å; D168-S199 WeakPolarHBondContact OD2-CB 3.37Å; D168-S199 PolarHBondContact OD2-N 2.86Å; D168-S199 PolarHBondContact OD2-OG 3Å
169	C	91.2	Very high	91	Very high	32 Å²	32	33.8 Å²	33.8	22%	0.216	20%	0.203	C	C	.	.	S	Bend	trans	-76.9	146.7	174	-64.9	0	0	0	0	111.9	R163 M173 D174	R163-C169 VanDerWaalsContact CB-O 3.24Å; R163-C169 WeakPolarHBondContact CB-O 3.45Å; R163-C169 WeakPolarHBondContact CD-O 3.45Å; R163-C169 WeakPolarHBondContact CG-O 3.22Å; C169-M173 HydrophobicContact CB-CB 3.99Å; C169-M173 HydrophobicContact CB-SD 4.26Å; C169-D174 WeakPolarHBondContact CB-OD1 3.4Å
170	T	94.6	Very high	91.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.			trans	-74.8	156.3	158.4	63.1	0	0	0	0	109.7	D161 R163 L172 M173 D174 A196	D161-T170 HydrophobicContact CB-CG2 4.12Å; R163-T170 HydrophobicContact CG-CG2 4.39Å; T170-L172 PolarHBondContact O-N 3.35Å; T170-L172 PolarHBondContact OG1-N 3.15Å; T170-M173 HydrophobicContact CG2-CE 4.17Å; T170-M173 HydrophobicContact CG2-SD 4.43Å; T170-M173 PolarHBondContact N-SD 3.14Å; T170-M173 WeakPolarHBondContact O-CA 3.43Å; T170-M173 WeakPolarHBondContact O-CB 3.26Å; T170-M173 PolarHBondContact O-N 2.98Å; T170-M173 WeakPolarHBondContact OG1-CG 3.4Å; T170-M173 PolarHBondContact OG1-N 3.46Å; T170-M173 VanDerWaalsContact OG1-N 3.17Å; T170-D174 PolarHBondContact O-N 3.4Å; T170-A196 HydrophobicContact CG2-CB 3.87Å
171	P	94.6	Very high	91.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-52.1	-28.3	169.2	-27.8	35.4	0	0	0	113.5	L137 A141 P160 A175 L187	L137-P171 HydrophobicContact CB-CG 4.21Å; L137-P171 HydrophobicContact CD2-CB 4.38Å; L137-P171 HydrophobicContact CD2-CG 3.84Å; L137-P171 HydrophobicContact CG-CB 3.98Å; L137-P171 HydrophobicContact CG-CG 3.72Å; A141-P171 HydrophobicContact CB-CB 3.91Å; A141-P171 WeakPolarHBondContact CB-O 3.46Å; P160-P171 WeakPolarHBondContact O-CD 3.21Å; P160-P171 VanDerWaalsContact O-CG 3.31Å; P160-P171 WeakPolarHBondContact O-CG 3.45Å; P171-A175 WeakPolarHBondContact O-CB 3.48Å; P171-A175 PolarHBondContact O-N 3.47Å; P171-L187 VanDerWaalsContact C-CD1 3.49Å; P171-L187 HydrophobicContact CB-CD1 3.96Å; P171-L187 HydrophobicContact CB-CD2 4.09Å; P171-L187 WeakPolarHBondContact O-CD1 3.29Å
172	L	97.5	Very high	91.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-71.9	-40.8	175.3	-175.6	63.7	0	0	0	112.1	T170 A176 V184 L187 V188 A192 V194 P204 L220	T170-L172 PolarHBondContact O-N 3.35Å; T170-L172 PolarHBondContact OG1-N 3.15Å; L172-A176 WeakPolarHBondContact O-CB 3.46Å; L172-A176 PolarHBondContact O-N 2.87Å; L172-V184 HydrophobicContact CD1-CB 4.36Å; L172-V184 HydrophobicContact CD1-CG1 3.9Å; L172-L187 HydrophobicContact CB-CD1 4.31Å; L172-L187 HydrophobicContact CD1-CB 4.02Å; L172-L187 HydrophobicContact CD1-CD1 4.44Å; L172-V188 HydrophobicContact CD1-CG2 4.11Å; L172-V188 HydrophobicContact CD2-CG2 4.42Å; L172-A192 HydrophobicContact CB-CB 4.24Å; L172-A192 HydrophobicContact CD2-CB 3.88Å; L172-V194 HydrophobicContact CD2-CB 4.5Å; L172-V194 HydrophobicContact CD2-CG1 4.08Å; L172-P204 HydrophobicContact CB-CG 4.46Å; L172-P204 HydrophobicContact CD2-CB 4.2Å; L172-P204 HydrophobicContact CD2-CG 3.9Å; L172-P204 HydrophobicContact CG-CB 4.02Å; L172-P204 HydrophobicContact CG-CG 4.01Å; L172-L220 HydrophobicContact CD1-CD2 4.2Å; L172-L220 HydrophobicContact CD2-CD2 4.06Å; L172-L220 HydrophobicContact CG-CD2 4.28Å
173	M	97	Very high	92	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-43	170.3	-64.2	163.6	-172.6	0	0	111.3	C169 T170 A175 A176 S177 A196 H197 P204 Y207	C169-M173 HydrophobicContact CB-CB 3.99Å; C169-M173 HydrophobicContact CB-SD 4.26Å; T170-M173 HydrophobicContact CG2-CE 4.17Å; T170-M173 HydrophobicContact CG2-SD 4.43Å; T170-M173 PolarHBondContact N-SD 3.14Å; T170-M173 WeakPolarHBondContact O-CA 3.43Å; T170-M173 WeakPolarHBondContact O-CB 3.26Å; T170-M173 PolarHBondContact O-N 2.98Å; T170-M173 WeakPolarHBondContact OG1-CG 3.4Å; T170-M173 PolarHBondContact OG1-N 3.46Å; T170-M173 VanDerWaalsContact OG1-N 3.17Å; M173-A175 PolarHBondContact O-N 2.91Å; M173-A176 PolarHBondContact O-N 3.48Å; M173-S177 WeakPolarHBondContact O-CB 3.34Å; M173-S177 PolarHBondContact O-N 3.42Å; M173-A196 HydrophobicContact CE-CB 3.94Å; M173-A196 WeakPolarHBondContact CE-O 3.31Å; M173-H197 VanDerWaalsContact CE-C 3.41Å; M173-P204 HydrophobicContact CG-CB 4.38Å; M173-P204 HydrophobicContact CG-CG 3.82Å; M173-Y207 HydrophobicContact CB-CD2 3.73Å; M173-Y207 HydrophobicContact CB-CE2 4Å; M173-Y207 HydrophobicContact CG-CD2 3.78Å; M173-Y207 HydrophobicContact CG-CE2 3.96Å; M173-Y207 HydrophobicContact SD-CD2 4.39Å; M173-Y207 HydrophobicContact SD-CE2 3.96Å
174	D	94.7	Very high	92.5	Very high	36 Å²	36	29.7 Å²	29.7	19%	0.193	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-43.2	178.6	-69.9	-42	0	0	0	111.8	S138 C169 T170	S138-D174 WeakPolarHBondContact CB-OD2 3.35Å; S138-D174 PolarHBondContact OG-OD2 3.05Å; C169-D174 WeakPolarHBondContact CB-OD1 3.4Å; T170-D174 PolarHBondContact O-N 3.4Å
175	A	97.1	Very high	93.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.6	-40.5	175.8	0	0	0	0	0	113	A141 P171 M173 A178 G179 H180 V183 V184 L187	A141-A175 HydrophobicContact CB-CB 4.32Å; P171-A175 WeakPolarHBondContact O-CB 3.48Å; P171-A175 PolarHBondContact O-N 3.47Å; M173-A175 PolarHBondContact O-N 2.91Å; A175-A178 PolarHBondContact O-N 3.46Å; A175-G179 PolarHBondContact O-N 2.95Å; A175-H180 PolarHBondContact O-N 3.14Å; A175-H180 VanDerWaalsContact O-N 3.12Å; A175-V183 HydrophobicContact CB-CB 4.02Å; A175-V183 HydrophobicContact CB-CG1 3.51Å; A175-V184 HydrophobicContact CB-CG2 3.8Å; A175-L187 HydrophobicContact CB-CD1 4.26Å
176	A	97.6	Very high	93.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.5	-39.8	179.2	0	0	0	0	0	112.5	L172 M173 A178 G179 V184 P204 A208 H213 L220	L172-A176 WeakPolarHBondContact O-CB 3.46Å; L172-A176 PolarHBondContact O-N 2.87Å; M173-A176 PolarHBondContact O-N 3.48Å; A176-A178 PolarHBondContact O-N 3.27Å; A176-G179 PolarHBondContact O-N 2.94Å; A176-V184 HydrophobicContact CB-CG2 4.4Å; A176-P204 HydrophobicContact CB-CB 4.32Å; A176-P204 WeakPolarHBondContact CB-O 3.38Å; A176-A208 HydrophobicContact CB-CB 4.23Å; A176-H213 PolarHBondContact O-CD2 2.98Å; A176-H213 VanDerWaalsContact O-CD2 3.29Å; A176-L220 HydrophobicContact CB-CD1 4.08Å
177	S	96.2	Very high	94.7	Very high	31 Å²	31	24.7 Å²	24.7	22%	0.217	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.9	177.5	-161.7	0	0	0	0	113.9	M173 H213	M173-S177 WeakPolarHBondContact O-CB 3.34Å; M173-S177 PolarHBondContact O-N 3.42Å; S177-H213 PolarHBondContact O-NE2 3.25Å
178	A	95.2	Very high	95.7	Very high	37 Å²	37	25.7 Å²	25.7	31%	0.306	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-1.9	179.2	0	0	0	0	0	114	A175 A176 H180	A175-A178 PolarHBondContact O-N 3.46Å; A176-A178 PolarHBondContact O-N 3.27Å; A178-H180 VanDerWaalsContact CB-NE2 3.34Å; A178-H180 WeakPolarHBondContact CB-NE2 3.31Å
179	G	95.2	Very high	96	Very high	21 Å²	21	29.5 Å²	29.5	22%	0.216	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	18.6	173.1	0	0	0	0	0	115.9	A175 A176 T181 H213	A175-G179 PolarHBondContact O-N 2.95Å; A176-G179 PolarHBondContact O-N 2.94Å; G179-T181 PolarHBondContact O-N 3.42Å; G179-H213 VanDerWaalsContact CA-CD2 3.45Å; G179-H213 WeakPolarHBondContact CA-CD2 3.41Å; G179-H213 VanDerWaalsContact CA-CG 3.41Å; G179-H213 PolarHBondContact N-CD2 2.81Å; G179-H213 PolarHBondContact N-NE2 2.94Å
180	H	97.1	Very high	96.2	Very high	74 Å²	74	30.8 Å²	30.8	34%	0.343	16%	0.163	S	C	.	.			trans	-80.1	79.8	-178.5	-60.7	-55.6	0	0	0	111.1	A141 S142 G144 A175 A178 D182 V183 V184	A141-H180 PolarHBondContact O-CD2 3.5Å; A141-H180 VanDerWaalsContact O-CD2 3.22Å; S142-H180 PolarHBondContact O-NE2 3.39Å; G144-H180 VanDerWaalsContact CA-CG 3.45Å; G144-H180 PolarHBondContact N-CD2 3.46Å; A175-H180 PolarHBondContact O-N 3.14Å; A175-H180 VanDerWaalsContact O-N 3.12Å; A178-H180 VanDerWaalsContact CB-NE2 3.34Å; A178-H180 WeakPolarHBondContact CB-NE2 3.31Å; H180-D182 VanDerWaalsContact C-N 3.29Å; H180-D182 PolarHBondContact O-N 3.23Å; H180-V183 HydrophobicContact CB-CB 3.88Å; H180-V183 HydrophobicContact CB-CG2 3.93Å; H180-V183 WeakPolarHBondContact O-CA 3.32Å; H180-V183 WeakPolarHBondContact O-CB 3.35Å; H180-V183 PolarHBondContact O-N 2.95Å; H180-V184 WeakPolarHBondContact O-CG2 3.42Å; H180-V184 PolarHBondContact O-N 2.99Å
181	T	96.8	Very high	96.2	Very high	29 Å²	29	33.3 Å²	33.3	18%	0.178	19%	0.189	C	C	.	.	H	α-helix	trans	-64.8	-27.8	-168.3	52.9	0	0	0	0	114.2	G179 R185 E215 A216 I219	G179-T181 PolarHBondContact O-N 3.42Å; T181-R185 VanDerWaalsContact O-CB 3.31Å; T181-R185 WeakPolarHBondContact O-CB 3.5Å; T181-R185 PolarHBondContact O-N 3.33Å; T181-E215 WeakPolarHBondContact CB-OE2 3.43Å; T181-E215 HydrophobicContact CG2-CB 3.73Å; T181-E215 HydrophobicContact CG2-CG 3.74Å; T181-E215 WeakPolarHBondContact CG2-OE2 3.43Å; T181-E215 PolarHBondContact OG1-OE2 2.96Å; T181-A216 HydrophobicContact CG2-CB 4.09Å; T181-I219 HydrophobicContact CG2-CD1 4.14Å
182	D	96.5	Very high	96.3	Very high	77 Å²	77	33.8 Å²	33.8	41%	0.412	19%	0.193	S	C	.	.	H	α-helix	trans	-68.6	-42.3	170.8	66.8	-29.1	0	0	0	112.2	C146 H180 C186	C146-D182 HydrophobicContact CB-CB 4.4Å; C146-D182 WeakPolarHBondContact CB-OD2 3.35Å; H180-D182 VanDerWaalsContact C-N 3.29Å; H180-D182 PolarHBondContact O-N 3.23Å; D182-C186 VanDerWaalsContact O-CB 3.26Å; D182-C186 WeakPolarHBondContact O-CB 3.42Å; D182-C186 PolarHBondContact O-N 2.72Å
183	V	96.6	Very high	96.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.2	-43.2	173.8	177.1	0	0	0	0	111.5	A141 C146 V149 A175 H180 R185 C186 L187	A141-V183 HydrophobicContact CB-CG1 3.81Å; C146-V183 HydrophobicContact CB-CG2 3.81Å; V149-V183 HydrophobicContact CG1-CG1 4.47Å; V149-V183 HydrophobicContact CG2-CG1 4.18Å; A175-V183 HydrophobicContact CB-CB 4.02Å; A175-V183 HydrophobicContact CB-CG1 3.51Å; H180-V183 HydrophobicContact CB-CB 3.88Å; H180-V183 HydrophobicContact CB-CG2 3.93Å; H180-V183 WeakPolarHBondContact O-CA 3.32Å; H180-V183 WeakPolarHBondContact O-CB 3.35Å; H180-V183 PolarHBondContact O-N 2.95Å; V183-R185 PolarHBondContact O-N 3.18Å; V183-C186 WeakPolarHBondContact O-CB 3.44Å; V183-C186 PolarHBondContact O-N 2.81Å; V183-L187 HydrophobicContact CG1-CD1 3.76Å; V183-L187 HydrophobicContact CG1-CG 4.37Å; V183-L187 WeakPolarHBondContact O-CB 3.28Å; V183-L187 WeakPolarHBondContact O-CG 3.4Å; V183-L187 PolarHBondContact O-N 2.73Å
184	V	97.6	Very high	96.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.9	-50.7	175.1	173.2	0	0	0	0	109.8	L172 A175 A176 H180 C186 L187 V188 A216 I219 L220	L172-V184 HydrophobicContact CD1-CB 4.36Å; L172-V184 HydrophobicContact CD1-CG1 3.9Å; A175-V184 HydrophobicContact CB-CG2 3.8Å; A176-V184 HydrophobicContact CB-CG2 4.4Å; H180-V184 WeakPolarHBondContact O-CG2 3.42Å; H180-V184 PolarHBondContact O-N 2.99Å; V184-C186 PolarHBondContact O-N 2.93Å; V184-L187 PolarHBondContact O-N 3.36Å; V184-V188 WeakPolarHBondContact O-CG2 3.47Å; V184-V188 PolarHBondContact O-N 2.75Å; V184-A216 HydrophobicContact CG2-CB 4.47Å; V184-I219 HydrophobicContact CG1-CB 4.31Å; V184-I219 HydrophobicContact CG1-CG2 3.82Å; V184-L220 HydrophobicContact CG1-CD2 4.21Å; V184-L220 HydrophobicContact CG1-CG 4.19Å
185	R	97.4	Very high	96.4	Very high	104 Å²	104	38.9 Å²	38.9	39%	0.392	22%	0.221	S	C	.	.	H	α-helix	trans	-60.4	-45	177.6	-165.7	-178.2	-52.5	-77.9	1.8	112	T181 V183 L187 V188 E189 E215 I219	T181-R185 VanDerWaalsContact O-CB 3.31Å; T181-R185 WeakPolarHBondContact O-CB 3.5Å; T181-R185 PolarHBondContact O-N 3.33Å; V183-R185 PolarHBondContact O-N 3.18Å; R185-L187 PolarHBondContact O-N 2.95Å; R185-V188 PolarHBondContact O-N 2.93Å; R185-E189 WeakPolarHBondContact O-CB 3.47Å; R185-E189 WeakPolarHBondContact O-CG 3.45Å; R185-E189 PolarHBondContact O-N 3.34Å; R185-E215 IonicContact NH2-OE1 3.4Å; R185-E215 PolarHBondContact NH2-OE1 2.61Å; R185-I219 HydrophobicContact CB-CG2 4.49Å; R185-I219 VanDerWaalsContact NH2-CD1 3.28Å
186	C	95.7	Very high	96.3	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.02	22%	0.224	C	C	.	.	H	α-helix	trans	-55.6	-51.7	175	178.3	0	0	0	0	111.8	H150 D182 V183 V184 V188 E189 H190	H150-C186 VanDerWaalsContact CD2-SG 3.57Å; H150-C186 PolarHBondContact CE1-SG 3.35Å; H150-C186 VanDerWaalsContact CG-SG 3.56Å; H150-C186 PolarHBondContact ND1-SG 2.98Å; H150-C186 VanDerWaalsContact ND1-SG 3.42Å; H150-C186 PolarHBondContact NE2-SG 3Å; H150-C186 VanDerWaalsContact NE2-SG 3.42Å; D182-C186 VanDerWaalsContact O-CB 3.26Å; D182-C186 WeakPolarHBondContact O-CB 3.42Å; D182-C186 PolarHBondContact O-N 2.72Å; V183-C186 WeakPolarHBondContact O-CB 3.44Å; V183-C186 PolarHBondContact O-N 2.81Å; V184-C186 PolarHBondContact O-N 2.93Å; C186-V188 PolarHBondContact O-N 3.41Å; C186-E189 PolarHBondContact O-N 2.74Å; C186-H190 PolarHBondContact O-N 3.35Å; C186-H190 VanDerWaalsContact O-N 3.12Å; C186-H190 PolarHBondContact O-ND1 3.3Å
187	L	96.6	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.7	-41.7	-178.5	-74.2	165.3	0	0	0	112.2	A141 V149 L153 P160 P171 L172 A175 V183 V184 R185 H190 G191 A192	A141-L187 HydrophobicContact CB-CD1 4.26Å; V149-L187 HydrophobicContact CG1-CD2 4.01Å; V149-L187 HydrophobicContact CG1-CG 4.12Å; L153-L187 HydrophobicContact CD1-CD2 4.08Å; L153-L187 HydrophobicContact CD2-CD2 4.42Å; P160-L187 HydrophobicContact CB-CD2 4.41Å; P171-L187 VanDerWaalsContact C-CD1 3.49Å; P171-L187 HydrophobicContact CB-CD1 3.96Å; P171-L187 HydrophobicContact CB-CD2 4.09Å; P171-L187 WeakPolarHBondContact O-CD1 3.29Å; L172-L187 HydrophobicContact CB-CD1 4.31Å; L172-L187 HydrophobicContact CD1-CB 4.02Å; L172-L187 HydrophobicContact CD1-CD1 4.44Å; A175-L187 HydrophobicContact CB-CD1 4.26Å; V183-L187 HydrophobicContact CG1-CD1 3.76Å; V183-L187 HydrophobicContact CG1-CG 4.37Å; V183-L187 WeakPolarHBondContact O-CB 3.28Å; V183-L187 WeakPolarHBondContact O-CG 3.4Å; V183-L187 PolarHBondContact O-N 2.73Å; V184-L187 PolarHBondContact O-N 3.36Å; R185-L187 PolarHBondContact O-N 2.95Å; L187-H190 CarbonylContact O-C 3.48Å; L187-H190 PolarHBondContact O-N 2.92Å; L187-G191 PolarHBondContact O-N 3.34Å; L187-A192 HydrophobicContact CB-CB 4.07Å; L187-A192 VanDerWaalsContact O-CB 3.25Å; L187-A192 WeakPolarHBondContact O-CB 2.98Å; L187-A192 PolarHBondContact O-N 2.96Å
188	V	96.4	Very high	96	Very high	37 Å²	37	43.6 Å²	43.6	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-46.9	173.6	168.4	0	0	0	0	111.5	L172 V184 R185 C186 H190 G191 V194 A223	L172-V188 HydrophobicContact CD1-CG2 4.11Å; L172-V188 HydrophobicContact CD2-CG2 4.42Å; V184-V188 WeakPolarHBondContact O-CG2 3.47Å; V184-V188 PolarHBondContact O-N 2.75Å; R185-V188 PolarHBondContact O-N 2.93Å; C186-V188 PolarHBondContact O-N 3.41Å; V188-H190 PolarHBondContact O-N 3.24Å; V188-G191 PolarHBondContact O-N 3.3Å; V188-V194 HydrophobicContact CG2-CG1 3.91Å; V188-A223 HydrophobicContact CG1-CB 3.61Å; V188-A223 HydrophobicContact CG2-CB 4.24Å
189	E	95.1	Very high	95.8	Very high	138 Å²	138	45.9 Å²	45.9	65%	0.645	25%	0.254	S	S	*	.	H	α-helix	trans	-62	-25.1	177.8	-76	177.7	-168.8	0	0	113.4	R185 C186	R185-E189 WeakPolarHBondContact O-CB 3.47Å; R185-E189 WeakPolarHBondContact O-CG 3.45Å; R185-E189 PolarHBondContact O-N 3.34Å; C186-E189 PolarHBondContact O-N 2.74Å
190	H	94.5	Very high	95.5	Very high	59 Å²	59	48.8 Å²	48.8	27%	0.273	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5.1	175.3	-65.2	68.7	0	0	0	113.3	H150 L153 N154 C186 L187 V188	H150-H190 AromaticContact CE1-CE1 3.72Å; H150-H190 AromaticContact ND1-CE1 3.45Å; H150-H190 PolarHBondContact ND1-CE1 2.9Å; H150-H190 AromaticContact ND1-NE2 3.87Å; L153-H190 HydrophobicContact CD1-CB 3.92Å; N154-H190 PolarHBondContact ND2-NE2 3.12Å; C186-H190 PolarHBondContact O-N 3.35Å; C186-H190 VanDerWaalsContact O-N 3.12Å; C186-H190 PolarHBondContact O-ND1 3.3Å; L187-H190 CarbonylContact O-C 3.48Å; L187-H190 PolarHBondContact O-N 2.92Å; V188-H190 PolarHBondContact O-N 3.24Å
191	G	94.4	Very high	95.2	Very high	53 Å²	53	45.5 Å²	45.5	55%	0.546	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	33.4	173.1	0	0	0	0	0	115.1	L187 V188	L187-G191 PolarHBondContact O-N 3.34Å; V188-G191 PolarHBondContact O-N 3.3Å
192	A	96.4	Very high	95.2	Very high	10 Å²	10	44.9 Å²	44.9	8%	0.083	25%	0.246	C	C	.	.			trans	-58.8	144.8	164.8	0	0	0	0	0	111.5	P160 D161 L172 L187 V194	P160-A192 HydrophobicContact CB-CB 3.9Å; P160-A192 HydrophobicContact CG-CB 4.47Å; D161-A192 WeakPolarHBondContact OD1-CA 3.16Å; L172-A192 HydrophobicContact CB-CB 4.24Å; L172-A192 HydrophobicContact CD2-CB 3.88Å; L187-A192 HydrophobicContact CB-CB 4.07Å; L187-A192 VanDerWaalsContact O-CB 3.25Å; L187-A192 WeakPolarHBondContact O-CB 2.98Å; L187-A192 PolarHBondContact O-N 2.96Å; A192-V194 PolarHBondContact O-N 3.41Å
193	D	96.9	Very high	95.2	Very high	79 Å²	79	41.4 Å²	41.4	42%	0.422	23%	0.228	S	C	.	.			trans	-77.9	101.7	174.4	-179.4	8.6	0	0	0	110.6	D161 N195 A196	D161-D193 PolarHBondContact OD1-N 3.49Å; D193-N195 PolarHBondContact O-N 3.11Å; D193-N195 VanDerWaalsContact O-N 3.17Å; D193-N195 WeakPolarHBondContact OD1-CA 3.19Å; D193-N195 PolarHBondContact OD1-N 2.92Å; D193-A196 HydrophobicContact CB-CB 4.02Å; D193-A196 VanDerWaalsContact CG-N 3.34Å; D193-A196 WeakPolarHBondContact O-CB 3.05Å; D193-A196 PolarHBondContact O-N 2.9Å; D193-A196 VanDerWaalsContact O-N 3.15Å; D193-A196 PolarHBondContact OD1-N 3.4Å; D193-A196 PolarHBondContact OD2-N 3.31Å
194	V	97.4	Very high	95.2	Very high	16 Å²	16	41.4 Å²	41.4	10%	0.097	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.5	176.6	-64.8	0	0	0	0	113.9	L172 V188 A192 P204 L220 A223 A225	L172-V194 HydrophobicContact CD2-CB 4.5Å; L172-V194 HydrophobicContact CD2-CG1 4.08Å; V188-V194 HydrophobicContact CG2-CG1 3.91Å; A192-V194 PolarHBondContact O-N 3.41Å; V194-P204 WeakPolarHBondContact O-CD 3.17Å; V194-L220 HydrophobicContact CG1-CD2 4.26Å; V194-A223 HydrophobicContact CG1-CB 3.88Å; V194-A225 HydrophobicContact CB-CB 4.36Å
195	N	97.4	Very high	95.3	Very high	49 Å²	49	41.4 Å²	41.4	26%	0.262	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	11.5	-179.7	-67.6	-50	0	0	0	113	D193 G224 A225 D226 L229	D193-N195 PolarHBondContact O-N 3.11Å; D193-N195 VanDerWaalsContact O-N 3.17Å; D193-N195 WeakPolarHBondContact OD1-CA 3.19Å; D193-N195 PolarHBondContact OD1-N 2.92Å; N195-G224 PolarHBondContact ND2-O 3.39Å; N195-A225 WeakPolarHBondContact OD1-CA 3.47Å; N195-D226 PolarHBondContact OD1-N 2.82Å; N195-L229 HydrophobicContact CB-CD1 3.9Å
196	A	95.9	Very high	95.2	Very high	7 Å²	7	36.5 Å²	36.5	6%	0.058	21%	0.209	C	C	.	.			trans	-57.3	147.3	171.8	0	0	0	0	0	110.9	T170 M173 D193 T203 P204	T170-A196 HydrophobicContact CG2-CB 3.87Å; M173-A196 HydrophobicContact CE-CB 3.94Å; M173-A196 WeakPolarHBondContact CE-O 3.31Å; D193-A196 HydrophobicContact CB-CB 4.02Å; D193-A196 VanDerWaalsContact CG-N 3.34Å; D193-A196 WeakPolarHBondContact O-CB 3.05Å; D193-A196 PolarHBondContact O-N 2.9Å; D193-A196 VanDerWaalsContact O-N 3.15Å; D193-A196 PolarHBondContact OD1-N 3.4Å; D193-A196 PolarHBondContact OD2-N 3.31Å; A196-T203 WeakPolarHBondContact O-CA 3.24Å; A196-P204 VanDerWaalsContact O-CD 3.23Å; A196-P204 WeakPolarHBondContact O-CD 3.41Å
197	H	92.9	Very high	95.3	Very high	120 Å²	120	38 Å²	38	56%	0.556	22%	0.215	S	C	*	.			trans	-115.1	150.7	177.5	66.4	85.4	0	0	0	112.2	R163 M173	R163-H197 VanDerWaalsContact CZ-O 3.29Å; R163-H197 PolarHBondContact NH1-O 3.02Å; R163-H197 PolarHBondContact NH2-O 3.3Å; M173-H197 VanDerWaalsContact CE-C 3.41Å
198	S	93.8	Very high	95.4	Very high	3 Å²	3	38 Å²	38	2%	0.021	22%	0.215	C	C	.	.			trans	-79.9	-174.8	168.5	56.3	0	0	0	0	111.6	I200 G201 N202	S198-I200 PolarHBondContact O-N 2.83Å; S198-G201 PolarHBondContact O-N 3.48Å; S198-N202 PolarHBondContact N-O 3.16Å; S198-N202 WeakPolarHBondContact OG-CB 3.03Å; S198-N202 PolarHBondContact OG-N 3.05Å; S198-N202 VanDerWaalsContact OG-N 3.08Å; S198-N202 PolarHBondContact OG-O 3.15Å
199	S	90.9	Very high	95.4	Very high	84 Å²	84	36.3 Å²	36.3	59%	0.587	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-7	176.3	65.2	0	0	0	0	115.1	D168	D168-S199 VanDerWaalsContact CG-N 3.29Å; D168-S199 WeakPolarHBondContact OD1-CB 3.38Å; D168-S199 PolarHBondContact OD1-N 3.43Å; D168-S199 PolarHBondContact OD1-OG 3.02Å; D168-S199 VanDerWaalsContact OD2-CB 3.28Å; D168-S199 WeakPolarHBondContact OD2-CB 3.37Å; D168-S199 PolarHBondContact OD2-N 2.86Å; D168-S199 PolarHBondContact OD2-OG 3Å
200	I	89.2	Confident	95.4	Very high	82 Å²	82	30.4 Å²	30.4	42%	0.421	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	14.6	175.2	60.6	170.9	0	0	0	112.1	S198 N202 N231 D232	S198-I200 PolarHBondContact O-N 2.83Å; I200-N202 VanDerWaalsContact C-N 3.29Å; I200-N202 HydrophobicContact CG1-CB 4.32Å; I200-N202 PolarHBondContact O-N 2.67Å; I200-N231 WeakPolarHBondContact O-CB 3.32Å; I200-D232 VanDerWaalsContact CA-OD2 3.27Å; I200-D232 WeakPolarHBondContact CA-OD2 3.18Å; I200-D232 WeakPolarHBondContact O-CB 3.24Å; I200-D232 PolarHBondContact O-N 2.83Å
201	G	92	Very high	95.5	Very high	6 Å²	6	28.5 Å²	28.5	6%	0.062	17%	0.174	C	C	.	.	S	Bend	trans	81.4	-14.9	179.9	0	0	0	0	0	116	S198 T203 D232	S198-G201 PolarHBondContact O-N 3.48Å; G201-T203 PolarHBondContact O-N 2.94Å; G201-D232 PolarHBondContact N-OD2 2.83Å
202	N	94.9	Very high	95.6	Very high	16 Å²	16	27.2 Å²	27.2	9%	0.086	16%	0.16	C	C	.	.			trans	-58	131	-179.4	-74.8	6.9	0	0	0	112.3	S198 I200 I206 Y207 N231	S198-N202 PolarHBondContact N-O 3.16Å; S198-N202 WeakPolarHBondContact OG-CB 3.03Å; S198-N202 PolarHBondContact OG-N 3.05Å; S198-N202 VanDerWaalsContact OG-N 3.08Å; S198-N202 PolarHBondContact OG-O 3.15Å; I200-N202 VanDerWaalsContact C-N 3.29Å; I200-N202 HydrophobicContact CG1-CB 4.32Å; I200-N202 PolarHBondContact O-N 2.67Å; N202-I206 HydrophobicContact CB-CB 4.41Å; N202-I206 HydrophobicContact CB-CG2 3.9Å; N202-Y207 HydrophobicContact CB-CD2 4.16Å; N202-Y207 HydrophobicContact CB-CE1 4.43Å; N202-Y207 HydrophobicContact CB-CE2 3.58Å; N202-N231 WeakPolarHBondContact OD1-CB 3.31Å; N202-N231 PolarHBondContact OD1-ND2 3.45Å
203	T	97.1	Very high	95.7	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.025	17%	0.169	C	C	.	.			trans	-94.4	165.9	175.7	62.3	0	0	0	0	112.1	A196 G201 L205 I206 Y207 L229	A196-T203 WeakPolarHBondContact O-CA 3.24Å; G201-T203 PolarHBondContact O-N 2.94Å; T203-L205 PolarHBondContact O-N 2.95Å; T203-I206 PolarHBondContact O-N 3.05Å; T203-I206 VanDerWaalsContact O-N 3.14Å; T203-I206 PolarHBondContact OG1-N 3.19Å; T203-Y207 VanDerWaalsContact O-CD2 3.22Å; T203-Y207 WeakPolarHBondContact O-CD2 3.39Å; T203-Y207 PolarHBondContact O-N 3.47Å; T203-L229 HydrophobicContact CG2-CB 4.24Å; T203-L229 HydrophobicContact CG2-CD1 4.24Å
204	P	97.8	Very high	95.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-51.8	-38.7	170.3	-25.9	31.6	0	0	0	113.5	L172 M173 A176 V194 A196 Y207 A208 L220	L172-P204 HydrophobicContact CB-CG 4.46Å; L172-P204 HydrophobicContact CD2-CB 4.2Å; L172-P204 HydrophobicContact CD2-CG 3.9Å; L172-P204 HydrophobicContact CG-CB 4.02Å; L172-P204 HydrophobicContact CG-CG 4.01Å; M173-P204 HydrophobicContact CG-CB 4.38Å; M173-P204 HydrophobicContact CG-CG 3.82Å; A176-P204 HydrophobicContact CB-CB 4.32Å; A176-P204 WeakPolarHBondContact CB-O 3.38Å; V194-P204 WeakPolarHBondContact O-CD 3.17Å; A196-P204 VanDerWaalsContact O-CD 3.23Å; A196-P204 WeakPolarHBondContact O-CD 3.41Å; P204-Y207 PolarHBondContact O-N 2.89Å; P204-A208 PolarHBondContact O-N 3.09Å; P204-L220 HydrophobicContact CB-CD1 3.98Å; P204-L220 HydrophobicContact CB-CD2 4.01Å
205	L	98.2	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-45	177.9	-177.7	62.3	0	0	0	111.4	T203 Y207 A208 C209 V217 L220 L221 A225 P237 L253	T203-L205 PolarHBondContact O-N 2.95Å; L205-Y207 VanDerWaalsContact C-N 3.33Å; L205-Y207 PolarHBondContact O-N 3.29Å; L205-A208 PolarHBondContact O-N 3.31Å; L205-C209 WeakPolarHBondContact O-CB 3.5Å; L205-C209 PolarHBondContact O-N 3.17Å; L205-C209 PolarHBondContact O-SG 2.81Å; L205-V217 HydrophobicContact CD1-CB 4.47Å; L205-V217 HydrophobicContact CD1-CG1 3.98Å; L205-V217 HydrophobicContact CD1-CG2 4.39Å; L205-L220 HydrophobicContact CD1-CB 4.33Å; L205-L221 HydrophobicContact CD1-CD2 4.12Å; L205-L221 HydrophobicContact CD1-CG 4.12Å; L205-L221 HydrophobicContact CD2-CD2 3.84Å; L205-A225 HydrophobicContact CB-CB 4.21Å; L205-A225 HydrophobicContact CD2-CB 4.05Å; L205-P237 HydrophobicContact CD2-CB 4.15Å; L205-P237 HydrophobicContact CD2-CG 3.82Å; L205-P237 HydrophobicContact CG-CB 4.04Å; L205-P237 HydrophobicContact CG-CG 4.04Å; L205-L253 HydrophobicContact CD1-CD2 4.33Å; L205-L253 HydrophobicContact CD2-CD2 4.32Å
206	I	96.9	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.6	-45.8	173	-74.5	171.2	0	0	0	111	N202 T203 A208 C209 A210 N231 P237 E240	N202-I206 HydrophobicContact CB-CB 4.41Å; N202-I206 HydrophobicContact CB-CG2 3.9Å; T203-I206 PolarHBondContact O-N 3.05Å; T203-I206 VanDerWaalsContact O-N 3.14Å; T203-I206 PolarHBondContact OG1-N 3.19Å; I206-A208 PolarHBondContact O-N 2.96Å; I206-C209 PolarHBondContact O-N 2.86Å; I206-A210 WeakPolarHBondContact O-CB 3.49Å; I206-A210 PolarHBondContact O-N 3.35Å; I206-N231 HydrophobicContact CD1-CB 4.05Å; I206-P237 HydrophobicContact CG1-CB 4.43Å; I206-P237 HydrophobicContact CG1-CG 3.96Å; I206-E240 HydrophobicContact CG2-CG 4.08Å
207	Y	96.9	Very high	95.8	Very high	36 Å²	36	31.3 Å²	31.3	14%	0.141	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-39.9	179	-78.9	-66.2	0	0	0	113.6	M173 N202 T203 P204 L205 A211	M173-Y207 HydrophobicContact CB-CD2 3.73Å; M173-Y207 HydrophobicContact CB-CE2 4Å; M173-Y207 HydrophobicContact CG-CD2 3.78Å; M173-Y207 HydrophobicContact CG-CE2 3.96Å; M173-Y207 HydrophobicContact SD-CD2 4.39Å; M173-Y207 HydrophobicContact SD-CE2 3.96Å; N202-Y207 HydrophobicContact CB-CD2 4.16Å; N202-Y207 HydrophobicContact CB-CE1 4.43Å; N202-Y207 HydrophobicContact CB-CE2 3.58Å; T203-Y207 VanDerWaalsContact O-CD2 3.22Å; T203-Y207 WeakPolarHBondContact O-CD2 3.39Å; T203-Y207 PolarHBondContact O-N 3.47Å; P204-Y207 PolarHBondContact O-N 2.89Å; L205-Y207 VanDerWaalsContact C-N 3.33Å; L205-Y207 PolarHBondContact O-N 3.29Å; Y207-A211 WeakPolarHBondContact O-CB 3.2Å; Y207-A211 PolarHBondContact O-N 3.37Å
208	A	98	Very high	96.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.6	-41.8	174.4	0	0	0	0	0	111.9	A176 P204 L205 I206 A211 G212 H213 A216 V217 L220	A176-A208 HydrophobicContact CB-CB 4.23Å; P204-A208 PolarHBondContact O-N 3.09Å; L205-A208 PolarHBondContact O-N 3.31Å; I206-A208 PolarHBondContact O-N 2.96Å; A208-A211 PolarHBondContact O-N 2.95Å; A208-G212 PolarHBondContact O-N 3.38Å; A208-G212 VanDerWaalsContact O-N 3.15Å; A208-H213 PolarHBondContact O-N 3.48Å; A208-A216 HydrophobicContact CB-CB 4.21Å; A208-V217 HydrophobicContact CB-CG2 3.62Å; A208-L220 HydrophobicContact CB-CD1 4.13Å
209	C	97.7	Very high	96.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-47	177.1	-72.2	0	0	0	0	112.5	L205 I206 A211 P237 A241 H246 I249	L205-C209 WeakPolarHBondContact O-CB 3.5Å; L205-C209 PolarHBondContact O-N 3.17Å; L205-C209 PolarHBondContact O-SG 2.81Å; I206-C209 PolarHBondContact O-N 2.86Å; C209-A211 PolarHBondContact O-N 3.35Å; C209-P237 HydrophobicContact CB-CB 4.45Å; C209-A241 HydrophobicContact CB-CB 4.37Å; C209-H246 PolarHBondContact O-CD2 3.32Å; C209-H246 VanDerWaalsContact O-CD2 3.29Å; C209-I249 HydrophobicContact CB-CG2 4.12Å; C209-I249 VanDerWaalsContact SG-CG2 3.52Å
210	A	95.3	Very high	96.6	Very high	15 Å²	15	26.5 Å²	26.5	12%	0.124	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	0.3	178.5	0	0	0	0	0	114.2	R22 I206 E240	R22-A210 PolarHBondContact NH2-O 3.07Å; I206-A210 WeakPolarHBondContact O-CB 3.49Å; I206-A210 PolarHBondContact O-N 3.35Å; A210-E240 HydrophobicContact CB-CB 4.26Å
211	A	95.5	Very high	97	Very high	19 Å²	19	23.2 Å²	23.2	16%	0.157	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-5.5	178.4	0	0	0	0	0	114	Y207 A208 C209 H213	Y207-A211 WeakPolarHBondContact O-CB 3.2Å; Y207-A211 PolarHBondContact O-N 3.37Å; A208-A211 PolarHBondContact O-N 2.95Å; C209-A211 PolarHBondContact O-N 3.35Å; A211-H213 WeakPolarHBondContact CB-CD2 3.1Å
212	G	96.7	Very high	97.2	Very high	26 Å²	26	29.1 Å²	29.1	27%	0.268	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	16.4	178.1	0	0	0	0	0	115.1	A208 E214 H246	A208-G212 PolarHBondContact O-N 3.38Å; A208-G212 VanDerWaalsContact O-N 3.15Å; G212-E214 PolarHBondContact O-N 3.39Å; G212-E214 VanDerWaalsContact O-N 3.14Å; G212-H246 VanDerWaalsContact CA-CD2 3.42Å; G212-H246 WeakPolarHBondContact CA-CD2 3.49Å; G212-H246 WeakPolarHBondContact CA-NE2 3.25Å; G212-H246 PolarHBondContact N-CD2 3.24Å; G212-H246 PolarHBondContact N-NE2 3.07Å
213	H	97.8	Very high	97.3	Very high	58 Å²	58	30.2 Å²	30.2	27%	0.269	16%	0.164	S	C	.	.			trans	-88.6	78.1	-174.1	-63.1	-44.9	0	0	0	112.8	A176 S177 G179 A208 A211 E215 A216 V217	A176-H213 PolarHBondContact O-CD2 2.98Å; A176-H213 VanDerWaalsContact O-CD2 3.29Å; S177-H213 PolarHBondContact O-NE2 3.25Å; G179-H213 VanDerWaalsContact CA-CD2 3.45Å; G179-H213 WeakPolarHBondContact CA-CD2 3.41Å; G179-H213 VanDerWaalsContact CA-CG 3.41Å; G179-H213 PolarHBondContact N-CD2 2.81Å; G179-H213 PolarHBondContact N-NE2 2.94Å; A208-H213 PolarHBondContact O-N 3.48Å; A211-H213 WeakPolarHBondContact CB-CD2 3.1Å; H213-E215 PolarHBondContact O-N 3.14Å; H213-A216 HydrophobicContact CB-CB 3.89Å; H213-A216 WeakPolarHBondContact O-CA 3.38Å; H213-A216 WeakPolarHBondContact O-CB 3.45Å; H213-A216 PolarHBondContact O-N 3.48Å; H213-V217 PolarHBondContact O-N 3.27Å
214	E	97.6	Very high	97.3	Very high	98 Å²	98	32.2 Å²	32.2	46%	0.458	19%	0.186	S	C	.	.	H	α-helix	trans	-56.7	-45.6	-171.5	-164.3	166.4	139.3	0	0	114.8	G212 A216 V217 E218 G248 I249 L252	G212-E214 PolarHBondContact O-N 3.39Å; G212-E214 VanDerWaalsContact O-N 3.14Å; E214-A216 VanDerWaalsContact C-N 3.32Å; E214-A216 PolarHBondContact O-N 3.36Å; E214-V217 WeakPolarHBondContact O-CB 3.17Å; E214-V217 PolarHBondContact O-N 2.98Å; E214-E218 PolarHBondContact O-N 3.45Å; E214-G248 WeakPolarHBondContact OE2-CA 3.17Å; E214-I249 HydrophobicContact CB-CG1 4.08Å; E214-I249 HydrophobicContact CG-CG1 4.15Å; E214-L252 HydrophobicContact CG-CD1 3.6Å
215	E	97.5	Very high	97.3	Very high	90 Å²	90	32.7 Å²	32.7	42%	0.421	19%	0.189	S	C	.	.	H	α-helix	trans	-66	-33.2	175.1	-175.1	-164.7	175.1	0	0	111.7	T181 R185 H213 E218 I219	T181-E215 WeakPolarHBondContact CB-OE2 3.43Å; T181-E215 HydrophobicContact CG2-CB 3.73Å; T181-E215 HydrophobicContact CG2-CG 3.74Å; T181-E215 WeakPolarHBondContact CG2-OE2 3.43Å; T181-E215 PolarHBondContact OG1-OE2 2.96Å; R185-E215 IonicContact NH2-OE1 3.4Å; R185-E215 PolarHBondContact NH2-OE1 2.61Å; H213-E215 PolarHBondContact O-N 3.14Å; E215-E218 PolarHBondContact O-N 3.18Å; E215-I219 HydrophobicContact CG-CD1 4.02Å; E215-I219 HydrophobicContact CG-CG1 4.48Å; E215-I219 WeakPolarHBondContact O-CD1 3.47Å; E215-I219 VanDerWaalsContact O-CG1 3.22Å; E215-I219 WeakPolarHBondContact O-CG1 3.39Å; E215-I219 PolarHBondContact O-N 3.15Å
216	A	97.9	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.9	-35.8	176.6	0	0	0	0	0	111.4	T181 V184 A208 H213 E214 L220	T181-A216 HydrophobicContact CG2-CB 4.09Å; V184-A216 HydrophobicContact CG2-CB 4.47Å; A208-A216 HydrophobicContact CB-CB 4.21Å; H213-A216 HydrophobicContact CB-CB 3.89Å; H213-A216 WeakPolarHBondContact O-CA 3.38Å; H213-A216 WeakPolarHBondContact O-CB 3.45Å; H213-A216 PolarHBondContact O-N 3.48Å; E214-A216 VanDerWaalsContact C-N 3.32Å; E214-A216 PolarHBondContact O-N 3.36Å; A216-L220 WeakPolarHBondContact O-CB 3.23Å; A216-L220 WeakPolarHBondContact O-CD1 3.37Å; A216-L220 VanDerWaalsContact O-CG 3.23Å; A216-L220 WeakPolarHBondContact O-CG 3.43Å; A216-L220 PolarHBondContact O-N 3.28Å; A216-L220 VanDerWaalsContact O-N 3.09Å
217	V	98.3	Very high	97.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-47.8	170	169.7	0	0	0	0	110.9	L205 A208 H213 E214 I219 L220 L221 I249 L252	L205-V217 HydrophobicContact CD1-CB 4.47Å; L205-V217 HydrophobicContact CD1-CG1 3.98Å; L205-V217 HydrophobicContact CD1-CG2 4.39Å; A208-V217 HydrophobicContact CB-CG2 3.62Å; H213-V217 PolarHBondContact O-N 3.27Å; E214-V217 WeakPolarHBondContact O-CB 3.17Å; E214-V217 PolarHBondContact O-N 2.98Å; V217-I219 PolarHBondContact O-N 2.94Å; V217-L220 PolarHBondContact O-N 3.09Å; V217-L221 HydrophobicContact CG1-CD1 3.62Å; V217-L221 HydrophobicContact CG1-CG 4.26Å; V217-L221 VanDerWaalsContact O-CG 3.31Å; V217-L221 WeakPolarHBondContact O-CG 3.23Å; V217-L221 PolarHBondContact O-N 2.78Å; V217-I249 HydrophobicContact CB-CG1 4.43Å; V217-I249 HydrophobicContact CG1-CG2 4.3Å; V217-I249 HydrophobicContact CG2-CD1 3.93Å; V217-I249 HydrophobicContact CG2-CG1 4.04Å; V217-I249 HydrophobicContact CG2-CG2 4.11Å; V217-L252 HydrophobicContact CG1-CD1 4.41Å
218	E	97.8	Very high	96.9	Very high	96 Å²	96	36.5 Å²	36.5	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-57.2	-48.8	177.9	-169.8	175.8	-137.2	0	0	111.4	E214 E215 L220 L221 D222 L252	E214-E218 PolarHBondContact O-N 3.45Å; E215-E218 PolarHBondContact O-N 3.18Å; E218-L220 VanDerWaalsContact C-N 3.34Å; E218-L220 PolarHBondContact O-N 3.38Å; E218-L221 PolarHBondContact O-N 3.15Å; E218-D222 WeakPolarHBondContact O-CB 3.46Å; E218-D222 PolarHBondContact O-N 2.96Å; E218-L252 HydrophobicContact CB-CD1 4.27Å
219	I	97.7	Very high	96.6	Very high	11 Å²	11	39.4 Å²	39.4	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-39.8	178	-64.3	162.7	0	0	0	112.2	T181 V184 R185 E215 V217 A223	T181-I219 HydrophobicContact CG2-CD1 4.14Å; V184-I219 HydrophobicContact CG1-CB 4.31Å; V184-I219 HydrophobicContact CG1-CG2 3.82Å; R185-I219 HydrophobicContact CB-CG2 4.49Å; R185-I219 VanDerWaalsContact NH2-CD1 3.28Å; E215-I219 HydrophobicContact CG-CD1 4.02Å; E215-I219 HydrophobicContact CG-CG1 4.48Å; E215-I219 WeakPolarHBondContact O-CD1 3.47Å; E215-I219 VanDerWaalsContact O-CG1 3.22Å; E215-I219 WeakPolarHBondContact O-CG1 3.39Å; E215-I219 PolarHBondContact O-N 3.15Å; V217-I219 PolarHBondContact O-N 2.94Å; I219-A223 VanDerWaalsContact O-CB 3.23Å; I219-A223 WeakPolarHBondContact O-CB 3.42Å; I219-A223 PolarHBondContact O-N 3.42Å; I219-A223 VanDerWaalsContact O-N 3.07Å
220	L	98.1	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-70.9	-38	179.9	-73.5	168.5	0	0	0	112.1	L172 A176 V184 V194 P204 L205 A208 A216 V217 E218 A223 G224 A225	L172-L220 HydrophobicContact CD1-CD2 4.2Å; L172-L220 HydrophobicContact CD2-CD2 4.06Å; L172-L220 HydrophobicContact CG-CD2 4.28Å; A176-L220 HydrophobicContact CB-CD1 4.08Å; V184-L220 HydrophobicContact CG1-CD2 4.21Å; V184-L220 HydrophobicContact CG1-CG 4.19Å; V194-L220 HydrophobicContact CG1-CD2 4.26Å; P204-L220 HydrophobicContact CB-CD1 3.98Å; P204-L220 HydrophobicContact CB-CD2 4.01Å; L205-L220 HydrophobicContact CD1-CB 4.33Å; A208-L220 HydrophobicContact CB-CD1 4.13Å; A216-L220 WeakPolarHBondContact O-CB 3.23Å; A216-L220 WeakPolarHBondContact O-CD1 3.37Å; A216-L220 VanDerWaalsContact O-CG 3.23Å; A216-L220 WeakPolarHBondContact O-CG 3.43Å; A216-L220 PolarHBondContact O-N 3.28Å; A216-L220 VanDerWaalsContact O-N 3.09Å; V217-L220 PolarHBondContact O-N 3.09Å; E218-L220 VanDerWaalsContact C-N 3.34Å; E218-L220 PolarHBondContact O-N 3.38Å; L220-A223 PolarHBondContact O-N 3.38Å; L220-G224 PolarHBondContact O-N 3.04Å; L220-A225 HydrophobicContact CB-CB 4.2Å; L220-A225 WeakPolarHBondContact O-CB 3.31Å; L220-A225 PolarHBondContact O-N 3.02Å
221	L	97.8	Very high	95.9	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-68.9	-44.7	175.9	-67.8	170	0	0	0	111.5	L205 V217 E218 A223 G224 V227 L252 L253 H256	L205-L221 HydrophobicContact CD1-CD2 4.12Å; L205-L221 HydrophobicContact CD1-CG 4.12Å; L205-L221 HydrophobicContact CD2-CD2 3.84Å; V217-L221 HydrophobicContact CG1-CD1 3.62Å; V217-L221 HydrophobicContact CG1-CG 4.26Å; V217-L221 VanDerWaalsContact O-CG 3.31Å; V217-L221 WeakPolarHBondContact O-CG 3.23Å; V217-L221 PolarHBondContact O-N 2.78Å; E218-L221 PolarHBondContact O-N 3.15Å; L221-A223 PolarHBondContact O-N 2.84Å; L221-G224 PolarHBondContact O-N 3.24Å; L221-V227 HydrophobicContact CD2-CB 4.24Å; L221-V227 HydrophobicContact CD2-CG2 4.01Å; L221-L252 HydrophobicContact CD1-CB 4.36Å; L221-L253 HydrophobicContact CD1-CD2 4.25Å; L221-L253 HydrophobicContact CD2-CD2 4.36Å; L221-H256 HydrophobicContact CD1-CB 4.27Å; L221-H256 HydrophobicContact CD2-CB 4.33Å
222	D	96.8	Very high	95.6	Very high	130 Å²	130	45.6 Å²	45.6	70%	0.695	26%	0.259	S	S	*	.	H	α-helix	trans	-57.5	-33	171.9	-101.4	-6.1	0	0	0	112.1	E218 G224	E218-D222 WeakPolarHBondContact O-CB 3.46Å; E218-D222 PolarHBondContact O-N 2.96Å; D222-G224 VanDerWaalsContact C-N 3.29Å; D222-G224 PolarHBondContact O-N 2.91Å
223	A	96.8	Very high	94.8	Very high	39 Å²	39	48.9 Å²	48.9	32%	0.322	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.7	177	0	0	0	0	0	114.5	V188 V194 I219 L220 L221	V188-A223 HydrophobicContact CG1-CB 3.61Å; V188-A223 HydrophobicContact CG2-CB 4.24Å; V194-A223 HydrophobicContact CG1-CB 3.88Å; I219-A223 VanDerWaalsContact O-CB 3.23Å; I219-A223 WeakPolarHBondContact O-CB 3.42Å; I219-A223 PolarHBondContact O-N 3.42Å; I219-A223 VanDerWaalsContact O-N 3.07Å; L220-A223 PolarHBondContact O-N 3.38Å; L221-A223 PolarHBondContact O-N 2.84Å
224	G	96.1	Very high	94.2	Very high	46 Å²	46	46.9 Å²	46.9	47%	0.474	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	30	178.5	0	0	0	0	0	115.1	N195 L220 L221 D222	N195-G224 PolarHBondContact ND2-O 3.39Å; L220-G224 PolarHBondContact O-N 3.04Å; L221-G224 PolarHBondContact O-N 3.24Å; D222-G224 VanDerWaalsContact C-N 3.29Å; D222-G224 PolarHBondContact O-N 2.91Å
225	A	97.4	Very high	93.8	Very high	9 Å²	9	44 Å²	44	7%	0.074	25%	0.252	C	S	.	.			trans	-60.6	135.4	162.8	0	0	0	0	0	110.4	V194 N195 L205 L220 V227	V194-A225 HydrophobicContact CB-CB 4.36Å; N195-A225 WeakPolarHBondContact OD1-CA 3.47Å; L205-A225 HydrophobicContact CB-CB 4.21Å; L205-A225 HydrophobicContact CD2-CB 4.05Å; L220-A225 HydrophobicContact CB-CB 4.2Å; L220-A225 WeakPolarHBondContact O-CB 3.31Å; L220-A225 PolarHBondContact O-N 3.02Å; A225-V227 PolarHBondContact O-N 3.44Å
226	D	95.6	Very high	93.5	Very high	77 Å²	77	39.8 Å²	39.8	41%	0.412	23%	0.232	S	C	.	.			trans	-77.8	116.8	178.7	-176.8	-20.1	0	0	0	109.8	N195 D228 L229	N195-D226 PolarHBondContact OD1-N 2.82Å; D226-D228 VanDerWaalsContact C-N 3.25Å; D226-D228 PolarHBondContact O-N 3.18Å; D226-D228 PolarHBondContact OD1-N 2.96Å; D226-L229 HydrophobicContact CB-CB 4.45Å; D226-L229 HydrophobicContact CB-CD1 3.8Å; D226-L229 HydrophobicContact CB-CG 3.75Å; D226-L229 PolarHBondContact O-N 3.3Å
227	V	95.3	Very high	93.4	Very high	17 Å²	17	39.8 Å²	39.8	10%	0.103	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.2	-171.2	76.3	0	0	0	0	113.8	L221 A225 P237 L253 A258	L221-V227 HydrophobicContact CD2-CB 4.24Å; L221-V227 HydrophobicContact CD2-CG2 4.01Å; A225-V227 PolarHBondContact O-N 3.44Å; V227-P237 WeakPolarHBondContact O-CD 3.22Å; V227-P237 WeakPolarHBondContact O-CG 3.27Å; V227-L253 HydrophobicContact CG2-CB 4.21Å; V227-L253 HydrophobicContact CG2-CD2 3.64Å; V227-A258 HydrophobicContact CG1-CB 4.42Å; V227-A258 HydrophobicContact CG2-CB 3.73Å
228	D	92.3	Very high	93.3	Very high	23 Å²	23	39.8 Å²	39.8	12%	0.123	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-2.2	-179.8	-70	-39	0	0	0	113.2	D226 C230 R259	D226-D228 VanDerWaalsContact C-N 3.25Å; D226-D228 PolarHBondContact O-N 3.18Å; D226-D228 PolarHBondContact OD1-N 2.96Å; D228-C230 PolarHBondContact O-N 3.09Å; D228-C230 VanDerWaalsContact O-N 3.15Å; D228-C230 PolarHBondContact O-SG 3.01Å; D228-R259 WeakPolarHBondContact OD1-CB 3.45Å; D228-R259 WeakPolarHBondContact OD1-CG 3.36Å; D228-R259 PolarHBondContact OD1-N 3.38Å; D228-R259 IonicContact OD1-NE 3.64Å; D228-R259 IonicContact OD2-CZ 2.71Å; D228-R259 IonicContact OD2-NE 2.73Å; D228-R259 PolarHBondContact OD2-NE 2.92Å; D228-R259 IonicContact OD2-NH2 2.67Å; D228-R259 PolarHBondContact OD2-NH2 3.34Å
229	L	92.1	Very high	93	Very high	61 Å²	61	35.3 Å²	35.3	32%	0.319	21%	0.211	S	C	.	.			trans	-62.7	117.3	-178.5	-88.3	178.5	0	0	0	111.6	N195 T203 D226 P237	N195-L229 HydrophobicContact CB-CD1 3.9Å; T203-L229 HydrophobicContact CG2-CB 4.24Å; T203-L229 HydrophobicContact CG2-CD1 4.24Å; D226-L229 HydrophobicContact CB-CB 4.45Å; D226-L229 HydrophobicContact CB-CD1 3.8Å; D226-L229 HydrophobicContact CB-CG 3.75Å; D226-L229 PolarHBondContact O-N 3.3Å; L229-P237 WeakPolarHBondContact O-CD 3.33Å
230	C	90.3	Very high	92.8	Very high	36 Å²	36	36.4 Å²	36.4	24%	0.243	22%	0.217	C	C	.	.			trans	-94.8	153.6	-178.4	-61.5	0	0	0	0	112.3	D228 Q235 F262	D228-C230 PolarHBondContact O-N 3.09Å; D228-C230 VanDerWaalsContact O-N 3.15Å; D228-C230 PolarHBondContact O-SG 3.01Å; C230-Q235 VanDerWaalsContact CA-O 3.25Å; C230-Q235 WeakPolarHBondContact CA-O 3.33Å; C230-F262 WeakPolarHBondContact SG-CE1 3.32Å
231	N	89.2	Confident	92.7	Very high	9 Å²	9	36.4 Å²	36.4	5%	0.048	22%	0.217	C	C	.	.			trans	-78.9	-178.4	170.4	68.8	14.7	0	0	0	112.6	I200 N202 I206 N233 G234 Q235	I200-N231 WeakPolarHBondContact O-CB 3.32Å; N202-N231 WeakPolarHBondContact OD1-CB 3.31Å; N202-N231 PolarHBondContact OD1-ND2 3.45Å; I206-N231 HydrophobicContact CD1-CB 4.05Å; N231-N233 PolarHBondContact O-N 2.63Å; N231-N233 WeakPolarHBondContact OD1-CA 3.21Å; N231-N233 WeakPolarHBondContact OD1-CB 3.25Å; N231-N233 PolarHBondContact OD1-N 2.7Å; N231-G234 WeakPolarHBondContact O-CA 3.38Å; N231-G234 PolarHBondContact O-N 3.17Å; N231-G234 PolarHBondContact OD1-N 3.1Å; N231-Q235 PolarHBondContact N-O 3.31Å; N231-Q235 WeakPolarHBondContact OD1-CB 3Å; N231-Q235 PolarHBondContact OD1-N 3.29Å
232	D	87.4	Confident	92.6	Very high	118 Å²	118	35.8 Å²	35.8	63%	0.631	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.2	-178.2	-64.4	-19.2	0	0	0	113	I200 G201 G234	I200-D232 VanDerWaalsContact CA-OD2 3.27Å; I200-D232 WeakPolarHBondContact CA-OD2 3.18Å; I200-D232 WeakPolarHBondContact O-CB 3.24Å; I200-D232 PolarHBondContact O-N 2.83Å; G201-D232 PolarHBondContact N-OD2 2.83Å; D232-G234 VanDerWaalsContact C-N 3.26Å
233	N	81.3	Confident	92.4	Very high	95 Å²	95	30.6 Å²	30.6	51%	0.508	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	7.6	168.6	-58.5	-38.4	0	0	0	112.4	N231 Q235 L267	N231-N233 PolarHBondContact O-N 2.63Å; N231-N233 WeakPolarHBondContact OD1-CA 3.21Å; N231-N233 WeakPolarHBondContact OD1-CB 3.25Å; N231-N233 PolarHBondContact OD1-N 2.7Å; N233-Q235 HydrophobicContact CB-CG 4.32Å; N233-Q235 PolarHBondContact O-N 3.45Å; N233-L267 WeakPolarHBondContact O-CD1 3.39Å
234	G	85.1	Confident	92.3	Very high	16 Å²	16	29.5 Å²	29.5	17%	0.165	18%	0.179	C	C	.	.			trans	70.7	10.2	-177.7	0	0	0	0	0	114.7	N231 D232	N231-G234 WeakPolarHBondContact O-CA 3.38Å; N231-G234 PolarHBondContact O-N 3.17Å; N231-G234 PolarHBondContact OD1-N 3.1Å; D232-G234 VanDerWaalsContact C-N 3.26Å
235	Q	88.1	Confident	92.3	Very high	37 Å²	37	28.1 Å²	28.1	17%	0.173	17%	0.165	C	C	.	.			trans	-88.6	127.5	-175.4	-66.4	170.8	-26.2	0	0	111.4	C230 N231 N233 M239 E272	C230-Q235 VanDerWaalsContact CA-O 3.25Å; C230-Q235 WeakPolarHBondContact CA-O 3.33Å; N231-Q235 PolarHBondContact N-O 3.31Å; N231-Q235 WeakPolarHBondContact OD1-CB 3Å; N231-Q235 PolarHBondContact OD1-N 3.29Å; N233-Q235 HydrophobicContact CB-CG 4.32Å; N233-Q235 PolarHBondContact O-N 3.45Å; Q235-M239 HydrophobicContact CB-CB 4.31Å; Q235-M239 HydrophobicContact CB-SD 4.19Å; Q235-M239 HydrophobicContact CG-SD 4.2Å; Q235-E272 PolarHBondContact NE2-OE2 3.15Å
236	S	92.6	Very high	92.2	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.014	17%	0.173	C	C	.	.			trans	-88	165.8	179	78.8	0	0	0	0	112.2	L238 M239 E240	S236-L238 PolarHBondContact O-N 2.93Å; S236-L238 VanDerWaalsContact O-N 3.09Å; S236-L238 PolarHBondContact OG-N 3.17Å; S236-M239 WeakPolarHBondContact O-CB 3.5Å; S236-M239 PolarHBondContact O-N 3.08Å; S236-M239 PolarHBondContact OG-N 3.14Å; S236-E240 PolarHBondContact O-N 3.14Å; S236-E240 VanDerWaalsContact O-N 3.08Å
237	P	95.2	Very high	92.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-56.5	-29.2	176.3	-22.6	32.5	0	0	0	113.3	L205 I206 C209 V227 L229 A241 L253	L205-P237 HydrophobicContact CD2-CB 4.15Å; L205-P237 HydrophobicContact CD2-CG 3.82Å; L205-P237 HydrophobicContact CG-CB 4.04Å; L205-P237 HydrophobicContact CG-CG 4.04Å; I206-P237 HydrophobicContact CG1-CB 4.43Å; I206-P237 HydrophobicContact CG1-CG 3.96Å; C209-P237 HydrophobicContact CB-CB 4.45Å; V227-P237 WeakPolarHBondContact O-CD 3.22Å; V227-P237 WeakPolarHBondContact O-CG 3.27Å; L229-P237 WeakPolarHBondContact O-CD 3.33Å; P237-A241 VanDerWaalsContact O-CB 3.31Å; P237-A241 WeakPolarHBondContact O-CB 3.4Å; P237-A241 PolarHBondContact O-N 3.25Å; P237-L253 HydrophobicContact CB-CD1 4.16Å; P237-L253 HydrophobicContact CB-CD2 3.98Å; P237-L253 WeakPolarHBondContact O-CD1 3.42Å
238	L	95.3	Very high	92.3	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-78.4	-31.5	176.7	-176.1	61.2	0	0	0	112.6	S236 A242 A250 L253 V254 A258 P274	S236-L238 PolarHBondContact O-N 2.93Å; S236-L238 VanDerWaalsContact O-N 3.09Å; S236-L238 PolarHBondContact OG-N 3.17Å; L238-A242 WeakPolarHBondContact O-CB 3.43Å; L238-A242 PolarHBondContact O-N 2.94Å; L238-A250 HydrophobicContact CD1-CB 3.79Å; L238-L253 HydrophobicContact CB-CD1 4.1Å; L238-L253 HydrophobicContact CD1-CB 4.42Å; L238-L253 HydrophobicContact CD1-CD1 4.16Å; L238-V254 HydrophobicContact CD1-CG2 4.37Å; L238-V254 HydrophobicContact CD2-CG2 4.08Å; L238-A258 HydrophobicContact CB-CB 4.47Å; L238-A258 HydrophobicContact CD2-CB 4.09Å; L238-P274 HydrophobicContact CB-CG 4.46Å; L238-P274 HydrophobicContact CD2-CG 4.2Å; L238-P274 HydrophobicContact CG-CB 4.18Å; L238-P274 HydrophobicContact CG-CG 3.98Å
239	M	92.4	Very high	92.6	Very high	1 Å²	1	28 Å²	28	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-65.5	-45.1	171.4	-71.8	180	-177.3	0	0	111	Q235 S236 A242 A243 F262 E272 P274 L277	Q235-M239 HydrophobicContact CB-CB 4.31Å; Q235-M239 HydrophobicContact CB-SD 4.19Å; Q235-M239 HydrophobicContact CG-SD 4.2Å; S236-M239 WeakPolarHBondContact O-CB 3.5Å; S236-M239 PolarHBondContact O-N 3.08Å; S236-M239 PolarHBondContact OG-N 3.14Å; M239-A242 PolarHBondContact O-N 3.22Å; M239-A243 WeakPolarHBondContact O-CB 3.4Å; M239-A243 PolarHBondContact O-N 3.05Å; M239-F262 HydrophobicContact CE-CB 4.35Å; M239-F262 HydrophobicContact CE-CD1 3.81Å; M239-F262 WeakPolarHBondContact CE-O 3.23Å; M239-E272 WeakPolarHBondContact CE-O 3.48Å; M239-P274 HydrophobicContact CG-CG 3.74Å; M239-L277 HydrophobicContact CB-CD1 3.67Å; M239-L277 HydrophobicContact CG-CD1 4.05Å
240	E	93.6	Very high	92.8	Very high	35 Å²	35	25.1 Å²	25.1	16%	0.164	15%	0.149	C	C	.	.	H	α-helix	trans	-63.4	-48.5	177.4	-70.7	-85.2	-145.9	0	0	111.5	I206 A210 S236 A242 A243 A244	I206-E240 HydrophobicContact CG2-CG 4.08Å; A210-E240 HydrophobicContact CB-CB 4.26Å; S236-E240 PolarHBondContact O-N 3.14Å; S236-E240 VanDerWaalsContact O-N 3.08Å; E240-A242 VanDerWaalsContact C-N 3.25Å; E240-A242 PolarHBondContact O-N 3.24Å; E240-A243 PolarHBondContact O-N 3.01Å; E240-A244 WeakPolarHBondContact O-CB 3.4Å; E240-A244 PolarHBondContact O-N 2.81Å
241	A	96.5	Very high	93.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-33.2	174.2	0	0	0	0	0	112.8	C209 P237 G245 H246 I249 L253 M286	C209-A241 HydrophobicContact CB-CB 4.37Å; P237-A241 VanDerWaalsContact O-CB 3.31Å; P237-A241 WeakPolarHBondContact O-CB 3.4Å; P237-A241 PolarHBondContact O-N 3.25Å; A241-G245 PolarHBondContact O-N 3.47Å; A241-H246 PolarHBondContact O-N 3.43Å; A241-I249 HydrophobicContact CB-CB 4.41Å; A241-I249 HydrophobicContact CB-CG2 3.65Å; A241-L253 HydrophobicContact CB-CD1 4.04Å; A241-M286 VanDerWaalsContact O-CE 3.25Å; A241-M286 WeakPolarHBondContact O-CE 3.35Å
242	A	95.1	Very high	93.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-75	-38.8	176.8	0	0	0	0	0	113.2	L238 M239 E240 G245 P274 A278 H283 M286 L290	L238-A242 WeakPolarHBondContact O-CB 3.43Å; L238-A242 PolarHBondContact O-N 2.94Å; M239-A242 PolarHBondContact O-N 3.22Å; E240-A242 VanDerWaalsContact C-N 3.25Å; E240-A242 PolarHBondContact O-N 3.24Å; A242-G245 PolarHBondContact O-N 3.32Å; A242-P274 HydrophobicContact CB-CB 3.8Å; A242-P274 WeakPolarHBondContact CB-O 3.22Å; A242-A278 HydrophobicContact CB-CB 4.33Å; A242-H283 PolarHBondContact O-CD2 3.18Å; A242-M286 HydrophobicContact CB-CG 4.15Å; A242-M286 HydrophobicContact CB-SD 4.3Å; A242-L290 HydrophobicContact CB-CD1 4Å
243	A	92.8	Very high	93.9	Very high	21 Å²	21	24.5 Å²	24.5	17%	0.174	14%	0.135	C	C	.	.	H	α-helix	trans	-67.6	-35.3	174.3	0	0	0	0	0	112.3	M239 E240 L277 H283	M239-A243 WeakPolarHBondContact O-CB 3.4Å; M239-A243 PolarHBondContact O-N 3.05Å; E240-A243 PolarHBondContact O-N 3.01Å; A243-L277 HydrophobicContact CB-CB 4.24Å; A243-H283 PolarHBondContact O-CD2 3.21Å; A243-H283 PolarHBondContact O-NE2 3.38Å
244	A	94.3	Very high	94.5	Very high	16 Å²	16	21.4 Å²	21.4	13%	0.132	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.6	175.5	0	0	0	0	0	114.1	E240 H246 H283	E240-A244 WeakPolarHBondContact O-CB 3.4Å; E240-A244 PolarHBondContact O-N 2.81Å; A244-H246 VanDerWaalsContact C-N 3.31Å; A244-H246 VanDerWaalsContact CB-CD2 3.42Å; A244-H246 WeakPolarHBondContact CB-CD2 3.34Å; A244-H246 PolarHBondContact O-N 2.78Å; A244-H283 WeakPolarHBondContact CA-NE2 3.43Å
245	G	95.7	Very high	95	Very high	16 Å²	16	27 Å²	27	17%	0.165	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	9.8	174.9	0	0	0	0	0	115.6	A241 A242 I247 H283 M286	A241-G245 PolarHBondContact O-N 3.47Å; A242-G245 PolarHBondContact O-N 3.32Å; G245-I247 PolarHBondContact O-N 3.29Å; G245-H283 PolarHBondContact N-CD2 2.99Å; G245-H283 PolarHBondContact N-NE2 3.32Å; G245-M286 VanDerWaalsContact C-CE 3.48Å
246	H	97.1	Very high	95.3	Very high	56 Å²	56	29.2 Å²	29.2	26%	0.259	16%	0.156	S	C	.	.			trans	-78.7	82.4	-172.7	-60.8	-43	0	0	0	112.9	C209 G212 A241 A244 G248 I249 A250 M286	C209-H246 PolarHBondContact O-CD2 3.32Å; C209-H246 VanDerWaalsContact O-CD2 3.29Å; G212-H246 VanDerWaalsContact CA-CD2 3.42Å; G212-H246 WeakPolarHBondContact CA-CD2 3.49Å; G212-H246 WeakPolarHBondContact CA-NE2 3.25Å; G212-H246 PolarHBondContact N-CD2 3.24Å; G212-H246 PolarHBondContact N-NE2 3.07Å; A241-H246 PolarHBondContact O-N 3.43Å; A244-H246 VanDerWaalsContact C-N 3.31Å; A244-H246 VanDerWaalsContact CB-CD2 3.42Å; A244-H246 WeakPolarHBondContact CB-CD2 3.34Å; A244-H246 PolarHBondContact O-N 2.78Å; H246-G248 PolarHBondContact O-N 3.33Å; H246-I249 HydrophobicContact CB-CB 4.17Å; H246-I249 HydrophobicContact CB-CD1 4.11Å; H246-I249 HydrophobicContact CB-CG1 4.46Å; H246-I249 PolarHBondContact O-N 3.38Å; H246-A250 PolarHBondContact O-N 2.86Å; H246-M286 VanDerWaalsContact C-CE 3.48Å
247	I	95.6	Very high	95.3	Very high	47 Å²	47	31.6 Å²	31.6	24%	0.241	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-32.7	-172.6	-64.9	162.1	0	0	0	113.6	G245 A250 R251 D285 M286	G245-I247 PolarHBondContact O-N 3.29Å; I247-A250 PolarHBondContact O-N 3.29Å; I247-R251 WeakPolarHBondContact O-CG 3.31Å; I247-R251 PolarHBondContact O-N 3.18Å; I247-R251 VanDerWaalsContact O-N 3.07Å; I247-D285 HydrophobicContact CD1-CB 3.42Å; I247-D285 VanDerWaalsContact CD1-CB 3.42Å; I247-M286 HydrophobicContact CB-CE 4.41Å; I247-M286 HydrophobicContact CG1-CB 4.07Å; I247-M286 HydrophobicContact CG1-CE 3.83Å; I247-M286 HydrophobicContact CG1-SD 4.32Å
248	G	96.8	Very high	95.1	Very high	20 Å²	20	32 Å²	32	21%	0.206	18%	0.183	C	C	.	.	H	α-helix	trans	-65.6	-51	177.1	0	0	0	0	0	111.6	E214 H246 A250 R251 L252	E214-G248 WeakPolarHBondContact OE2-CA 3.17Å; H246-G248 PolarHBondContact O-N 3.33Å; G248-A250 VanDerWaalsContact C-N 3.34Å; G248-A250 PolarHBondContact O-N 3.19Å; G248-R251 WeakPolarHBondContact O-CB 3.33Å; G248-R251 PolarHBondContact O-N 3.2Å; G248-L252 PolarHBondContact O-N 2.9Å
249	I	98.1	Very high	94.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-54	-47.2	170.3	-69.4	175.2	0	0	0	111.8	C209 E214 V217 A241 H246 R251 L252 L253	C209-I249 HydrophobicContact CB-CG2 4.12Å; C209-I249 VanDerWaalsContact SG-CG2 3.52Å; E214-I249 HydrophobicContact CB-CG1 4.08Å; E214-I249 HydrophobicContact CG-CG1 4.15Å; V217-I249 HydrophobicContact CB-CG1 4.43Å; V217-I249 HydrophobicContact CG1-CG2 4.3Å; V217-I249 HydrophobicContact CG2-CD1 3.93Å; V217-I249 HydrophobicContact CG2-CG1 4.04Å; V217-I249 HydrophobicContact CG2-CG2 4.11Å; A241-I249 HydrophobicContact CB-CB 4.41Å; A241-I249 HydrophobicContact CB-CG2 3.65Å; H246-I249 HydrophobicContact CB-CB 4.17Å; H246-I249 HydrophobicContact CB-CD1 4.11Å; H246-I249 HydrophobicContact CB-CG1 4.46Å; H246-I249 PolarHBondContact O-N 3.38Å; I249-R251 PolarHBondContact O-N 3.15Å; I249-L252 PolarHBondContact O-N 3.37Å; I249-L252 VanDerWaalsContact O-N 3.13Å; I249-L253 HydrophobicContact CG2-CD1 3.85Å; I249-L253 HydrophobicContact CG2-CG 4.22Å; I249-L253 VanDerWaalsContact O-CG 3.31Å; I249-L253 WeakPolarHBondContact O-CG 3.44Å; I249-L253 PolarHBondContact O-N 3.24Å
250	A	96.8	Very high	94.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-27.1	178.7	0	0	0	0	0	113.4	L238 H246 I247 G248 V254 M286 F289	L238-A250 HydrophobicContact CD1-CB 3.79Å; H246-A250 PolarHBondContact O-N 2.86Å; I247-A250 PolarHBondContact O-N 3.29Å; G248-A250 VanDerWaalsContact C-N 3.34Å; G248-A250 PolarHBondContact O-N 3.19Å; A250-V254 VanDerWaalsContact O-CG2 3.29Å; A250-V254 WeakPolarHBondContact O-CG2 3.39Å; A250-V254 PolarHBondContact O-N 2.87Å; A250-M286 HydrophobicContact CB-CE 3.69Å; A250-M286 HydrophobicContact CB-SD 3.64Å; A250-F289 HydrophobicContact CB-CD1 4.2Å; A250-F289 HydrophobicContact CB-CE1 3.87Å; A250-F289 WeakPolarHBondContact O-CE1 3.46Å
251	R	96.3	Very high	93.2	Very high	119 Å²	119	40.1 Å²	40.1	45%	0.449	22%	0.217	S	C	.	.	H	α-helix	trans	-71.8	-51.3	169.5	-69.3	170.1	-168.4	-63.3	-10.9	111.3	I247 G248 I249 L253 V254 D255 F289	I247-R251 WeakPolarHBondContact O-CG 3.31Å; I247-R251 PolarHBondContact O-N 3.18Å; I247-R251 VanDerWaalsContact O-N 3.07Å; G248-R251 WeakPolarHBondContact O-CB 3.33Å; G248-R251 PolarHBondContact O-N 3.2Å; I249-R251 PolarHBondContact O-N 3.15Å; R251-L253 VanDerWaalsContact C-N 3.28Å; R251-L253 PolarHBondContact O-N 3.28Å; R251-V254 PolarHBondContact O-N 3.28Å; R251-V254 VanDerWaalsContact O-N 3.09Å; R251-D255 WeakPolarHBondContact O-CB 3.45Å; R251-D255 PolarHBondContact O-N 3.33Å; R251-F289 HydrophobicContact CG-CD2 4.39Å; R251-F289 HydrophobicContact CG-CE2 3.84Å; R251-F289 HydrophobicContact CG-CZ 3.93Å
252	L	96.6	Very high	91.8	Very high	31 Å²	31	42.5 Å²	42.5	16%	0.162	23%	0.228	C	C	.	.	H	α-helix	trans	-53.8	-45.5	178.4	-68.2	179.4	0	0	0	111.7	E214 V217 E218 L221 G248 I249 D255 H256	E214-L252 HydrophobicContact CG-CD1 3.6Å; V217-L252 HydrophobicContact CG1-CD1 4.41Å; E218-L252 HydrophobicContact CB-CD1 4.27Å; L221-L252 HydrophobicContact CD1-CB 4.36Å; G248-L252 PolarHBondContact O-N 2.9Å; I249-L252 PolarHBondContact O-N 3.37Å; I249-L252 VanDerWaalsContact O-N 3.13Å; L252-D255 PolarHBondContact O-N 3.35Å; L252-H256 WeakPolarHBondContact O-CB 3.19Å; L252-H256 PolarHBondContact O-N 3.21Å; L252-H256 PolarHBondContact O-ND1 3.04Å
253	L	96.8	Very high	90.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-46.5	176.9	-67.9	171.3	0	0	0	112.1	L205 L221 V227 P237 L238 A241 I249 R251 H256 G257 A258	L205-L253 HydrophobicContact CD1-CD2 4.33Å; L205-L253 HydrophobicContact CD2-CD2 4.32Å; L221-L253 HydrophobicContact CD1-CD2 4.25Å; L221-L253 HydrophobicContact CD2-CD2 4.36Å; V227-L253 HydrophobicContact CG2-CB 4.21Å; V227-L253 HydrophobicContact CG2-CD2 3.64Å; P237-L253 HydrophobicContact CB-CD1 4.16Å; P237-L253 HydrophobicContact CB-CD2 3.98Å; P237-L253 WeakPolarHBondContact O-CD1 3.42Å; L238-L253 HydrophobicContact CB-CD1 4.1Å; L238-L253 HydrophobicContact CD1-CB 4.42Å; L238-L253 HydrophobicContact CD1-CD1 4.16Å; A241-L253 HydrophobicContact CB-CD1 4.04Å; I249-L253 HydrophobicContact CG2-CD1 3.85Å; I249-L253 HydrophobicContact CG2-CG 4.22Å; I249-L253 VanDerWaalsContact O-CG 3.31Å; I249-L253 WeakPolarHBondContact O-CG 3.44Å; I249-L253 PolarHBondContact O-N 3.24Å; R251-L253 VanDerWaalsContact C-N 3.28Å; R251-L253 PolarHBondContact O-N 3.28Å; L253-H256 CarbonylContact O-C 3.6Å; L253-H256 PolarHBondContact O-N 2.85Å; L253-G257 PolarHBondContact O-N 3.07Å; L253-G257 VanDerWaalsContact O-N 3.14Å; L253-A258 HydrophobicContact CB-CB 3.97Å; L253-A258 WeakPolarHBondContact O-CB 3.46Å; L253-A258 PolarHBondContact O-N 3.39Å
254	V	94.5	Very high	88.1	Confident	31 Å²	31	44.3 Å²	44.3	19%	0.188	24%	0.241	C	C	.	.	H	α-helix	trans	-69.3	-38	179.6	170.8	0	0	0	0	112	L238 A250 R251 H256 G257 V260 F289 V293	L238-V254 HydrophobicContact CD1-CG2 4.37Å; L238-V254 HydrophobicContact CD2-CG2 4.08Å; A250-V254 VanDerWaalsContact O-CG2 3.29Å; A250-V254 WeakPolarHBondContact O-CG2 3.39Å; A250-V254 PolarHBondContact O-N 2.87Å; R251-V254 PolarHBondContact O-N 3.28Å; R251-V254 VanDerWaalsContact O-N 3.09Å; V254-H256 PolarHBondContact O-N 3.48Å; V254-G257 WeakPolarHBondContact O-CA 3.44Å; V254-G257 PolarHBondContact O-N 3.38Å; V254-V260 HydrophobicContact CG1-CG2 4.37Å; V254-V260 HydrophobicContact CG2-CG2 3.91Å; V254-F289 HydrophobicContact CB-CZ 4.12Å; V254-F289 HydrophobicContact CG1-CZ 4.46Å; V254-F289 HydrophobicContact CG2-CE1 4.15Å; V254-F289 HydrophobicContact CG2-CZ 3.98Å; V254-V293 HydrophobicContact CG1-CG1 4.39Å
255	D	94.3	Very high	85.8	Confident	133 Å²	133	49.2 Å²	49.2	71%	0.711	28%	0.275	S	S	*	.	H	α-helix	trans	-67	-26.6	175	-69.6	-28.6	0	0	0	111.8	R251 L252 G257	R251-D255 WeakPolarHBondContact O-CB 3.45Å; R251-D255 PolarHBondContact O-N 3.33Å; L252-D255 PolarHBondContact O-N 3.35Å; D255-G257 VanDerWaalsContact C-N 3.35Å
256	H	95.3	Very high	83.1	Confident	84 Å²	84	56.9 Å²	56.9	39%	0.389	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	3.4	168.7	-71.5	82.4	0	0	0	114.3	L221 L252 L253 V254	L221-H256 HydrophobicContact CD1-CB 4.27Å; L221-H256 HydrophobicContact CD2-CB 4.33Å; L252-H256 WeakPolarHBondContact O-CB 3.19Å; L252-H256 PolarHBondContact O-N 3.21Å; L252-H256 PolarHBondContact O-ND1 3.04Å; L253-H256 CarbonylContact O-C 3.6Å; L253-H256 PolarHBondContact O-N 2.85Å; V254-H256 PolarHBondContact O-N 3.48Å
257	G	91.8	Very high	80.4	Confident	51 Å²	51	58.2 Å²	58.2	53%	0.526	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.9	13.9	169.6	0	0	0	0	0	117	L253 V254 D255	L253-G257 PolarHBondContact O-N 3.07Å; L253-G257 VanDerWaalsContact O-N 3.14Å; V254-G257 WeakPolarHBondContact O-CA 3.44Å; V254-G257 PolarHBondContact O-N 3.38Å; D255-G257 VanDerWaalsContact C-N 3.35Å
258	A	92.1	Very high	77.9	Confident	8 Å²	8	65.2 Å²	65.2	7%	0.066	34%	0.344	C	S	.	.			trans	-52.5	139.4	177.7	0	0	0	0	0	113.7	V227 L238 L253 V260	V227-A258 HydrophobicContact CG1-CB 4.42Å; V227-A258 HydrophobicContact CG2-CB 3.73Å; L238-A258 HydrophobicContact CB-CB 4.47Å; L238-A258 HydrophobicContact CD2-CB 4.09Å; L253-A258 HydrophobicContact CB-CB 3.97Å; L253-A258 WeakPolarHBondContact O-CB 3.46Å; L253-A258 PolarHBondContact O-N 3.39Å; A258-V260 PolarHBondContact O-N 3.34Å
259	R	86.8	Confident	75.2	Confident	147 Å²	147	67.9 Å²	67.9	56%	0.555	36%	0.356	S	S	*	.			trans	-74.5	94.8	176.5	-67.4	177.8	-144.8	172.8	22.2	111.5	D228 N261 F262	D228-R259 WeakPolarHBondContact OD1-CB 3.45Å; D228-R259 WeakPolarHBondContact OD1-CG 3.36Å; D228-R259 PolarHBondContact OD1-N 3.38Å; D228-R259 IonicContact OD1-NE 3.64Å; D228-R259 IonicContact OD2-CZ 2.71Å; D228-R259 IonicContact OD2-NE 2.73Å; D228-R259 PolarHBondContact OD2-NE 2.92Å; D228-R259 IonicContact OD2-NH2 2.67Å; D228-R259 PolarHBondContact OD2-NH2 3.34Å; R259-N261 VanDerWaalsContact C-N 3.3Å; R259-N261 PolarHBondContact O-N 3.23Å; R259-F262 HydrophobicContact CB-CB 4.06Å; R259-F262 HydrophobicContact CB-CD2 4.2Å; R259-F262 WeakPolarHBondContact O-CB 3.25Å; R259-F262 PolarHBondContact O-N 2.97Å
260	V	83.5	Confident	73	Confident	16 Å²	16	69.3 Å²	69.3	10%	0.097	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-49	177.8	-177.3	0	0	0	0	113.1	V254 A258 F262 P274 L290 V293	V254-V260 HydrophobicContact CG1-CG2 4.37Å; V254-V260 HydrophobicContact CG2-CG2 3.91Å; A258-V260 PolarHBondContact O-N 3.34Å; V260-F262 VanDerWaalsContact C-N 3.34Å; V260-F262 PolarHBondContact O-N 3.47Å; V260-P274 WeakPolarHBondContact O-CD 3.44Å; V260-P274 WeakPolarHBondContact O-CG 3.44Å; V260-L290 HydrophobicContact CG1-CD2 4.26Å; V260-V293 HydrophobicContact CB-CG2 4.44Å; V260-V293 HydrophobicContact CG1-CG2 3.68Å; V260-V293 HydrophobicContact CG2-CB 4.2Å; V260-V293 HydrophobicContact CG2-CG2 3.82Å
261	N	71.1	Confident	71.3	Confident	45 Å²	45	72.7 Å²	72.7	24%	0.241	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	39.1	-178.1	-57.2	1.1	0	0	0	110.9	R259	R259-N261 VanDerWaalsContact C-N 3.3Å; R259-N261 PolarHBondContact O-N 3.23Å
262	F	65.4	Low	70.4	Confident	51 Å²	51	69.4 Å²	69.4	22%	0.224	38%	0.378	C	S	.	.			trans	-67.4	132.4	169.8	-163.5	-92.2	0	0	0	109.4	C230 M239 R259 V260	C230-F262 WeakPolarHBondContact SG-CE1 3.32Å; M239-F262 HydrophobicContact CE-CB 4.35Å; M239-F262 HydrophobicContact CE-CD1 3.81Å; M239-F262 WeakPolarHBondContact CE-O 3.23Å; R259-F262 HydrophobicContact CB-CB 4.06Å; R259-F262 HydrophobicContact CB-CD2 4.2Å; R259-F262 WeakPolarHBondContact O-CB 3.25Å; R259-F262 PolarHBondContact O-N 2.97Å; V260-F262 VanDerWaalsContact C-N 3.34Å; V260-F262 PolarHBondContact O-N 3.47Å
263	A	60	Low	70	Confident	37 Å²	37	68 Å²	68	31%	0.306	37%	0.371	S	S	.	.			trans	-131.8	128	171.8	0	0	0	0	0	107.7	S265 L271 T273	A263-S265 PolarHBondContact O-N 2.91Å; A263-L271 HydrophobicContact CB-CD1 3.83Å; A263-L271 HydrophobicContact CB-CG 4.39Å; A263-T273 HydrophobicContact CB-CG2 4.28Å
264	S	50.7	Low	69.7	Low	21 Å²	21	68 Å²	68	15%	0.147	37%	0.371	C	S	.	.			trans	-72.4	92	-177.7	52.6	0	0	0	0	110.7	E266 L267	S264-E266 PolarHBondContact O-N 3.13Å; S264-L267 PolarHBondContact O-N 2.83Å; S264-L267 VanDerWaalsContact O-N 3.16Å
265	S	46.1	Very low	69.6	Low	120 Å²	120	66.7 Å²	66.7	84%	0.839	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	2.4	-171.2	58.7	0	0	0	0	116.2	A263	A263-S265 PolarHBondContact O-N 2.91Å
266	E	40	Very low	69.4	Low	177 Å²	177	60.6 Å²	60.6	83%	0.827	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-20.6	179.4	-56.5	-165	138.6	0	0	113	S264 K268	S264-E266 PolarHBondContact O-N 3.13Å; E266-K268 PolarHBondContact O-N 3.42Å
267	L	39.4	Very low	69.1	Low	84 Å²	84	57.6 Å²	57.6	44%	0.44	32%	0.317	S	S	.	.			trans	-83.1	102.1	174	-76.8	-179.3	0	0	0	111.3	N233 S264 V269	N233-L267 WeakPolarHBondContact O-CD1 3.39Å; S264-L267 PolarHBondContact O-N 2.83Å; S264-L267 VanDerWaalsContact O-N 3.16Å; L267-V269 PolarHBondContact O-N 3.09Å
268	K	43.9	Very low	69.2	Low	193 Å²	193	55.1 Å²	55.1	84%	0.839	29%	0.292	S	S	*	.			trans	-78.5	29.8	179.9	-61.4	178.5	-179.2	172.5	0	113.9	E266	E266-K268 PolarHBondContact O-N 3.42Å
269	V	40.1	Very low	69.3	Low	77 Å²	77	54.8 Å²	54.8	47%	0.467	29%	0.289	S	S	.	.	S	Bend	trans	-146	88.1	-173.4	-171.4	0	0	0	0	109.9	L267 Y1055	L267-V269 PolarHBondContact O-N 3.09Å; V269-Y1055 HydrophobicContact CG1-CD2 4.26Å
270	G	51.3	Low	69.4	Low	31 Å²	31	51 Å²	51	32%	0.32	28%	0.275	S	S	.	.	S	Bend	trans	82.5	143.4	-178	0	0	0	0	0	113.4	E272	G270-E272 PolarHBondContact O-N 2.93Å
271	L	61	Low	69.8	Low	70 Å²	70	56.1 Å²	56.1	37%	0.366	29%	0.293	S	S	.	.			trans	-88.8	80.3	173	-167.7	83.3	0	0	0	108.7	A263 T273 T276 E305	A263-L271 HydrophobicContact CB-CD1 3.83Å; A263-L271 HydrophobicContact CB-CG 4.39Å; L271-T273 HydrophobicContact CD2-CG2 3.89Å; L271-T273 HydrophobicContact CG-CG2 3.85Å; L271-T273 PolarHBondContact O-N 3.14Å; L271-T276 WeakPolarHBondContact O-CG2 3.29Å; L271-T276 PolarHBondContact O-OG1 2.94Å; L271-E305 HydrophobicContact CD2-CB 3.93Å; L271-E305 HydrophobicContact CD2-CG 4.26Å
272	E	77.9	Confident	70.9	Confident	50 Å²	50	54.7 Å²	54.7	23%	0.234	29%	0.289	C	S	.	.			trans	-69	113.4	171.3	-69.1	-164.7	-171.9	0	0	109.3	Q235 M239 G270 L277	Q235-E272 PolarHBondContact NE2-OE2 3.15Å; M239-E272 WeakPolarHBondContact CE-O 3.48Å; G270-E272 PolarHBondContact O-N 2.93Å; E272-L277 HydrophobicContact CG-CD2 4.41Å
273	T	87.6	Confident	72.3	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.018	29%	0.289	C	S	.	.			trans	-126.3	161.5	169.9	86.9	0	0	0	0	107.8	A263 L271 L275 T276 L277 E305	A263-T273 HydrophobicContact CB-CG2 4.28Å; L271-T273 HydrophobicContact CD2-CG2 3.89Å; L271-T273 HydrophobicContact CG-CG2 3.85Å; L271-T273 PolarHBondContact O-N 3.14Å; T273-L275 PolarHBondContact O-N 3.29Å; T273-L275 VanDerWaalsContact O-N 3.09Å; T273-L275 PolarHBondContact OG1-N 3.39Å; T273-T276 PolarHBondContact N-OG1 3.07Å; T273-T276 PolarHBondContact O-N 3.29Å; T273-T276 VanDerWaalsContact O-N 3.13Å; T273-T276 PolarHBondContact O-OG1 2.97Å; T273-T276 PolarHBondContact OG1-N 3.32Å; T273-L277 WeakPolarHBondContact O-CG 3.34Å; T273-L277 PolarHBondContact O-N 2.64Å; T273-L277 VanDerWaalsContact O-N 3.09Å; T273-E305 WeakPolarHBondContact CB-OE1 3.19Å; T273-E305 HydrophobicContact CG2-CG 4.06Å; T273-E305 PolarHBondContact OG1-OE1 2.97Å
274	P	91.1	Very high	74.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-52.6	-32.9	173.3	-27	35.8	0	0	0	112.7	L238 M239 A242 V260 A278 L290	L238-P274 HydrophobicContact CB-CG 4.46Å; L238-P274 HydrophobicContact CD2-CG 4.2Å; L238-P274 HydrophobicContact CG-CB 4.18Å; L238-P274 HydrophobicContact CG-CG 3.98Å; M239-P274 HydrophobicContact CG-CG 3.74Å; A242-P274 HydrophobicContact CB-CB 3.8Å; A242-P274 WeakPolarHBondContact CB-O 3.22Å; V260-P274 WeakPolarHBondContact O-CD 3.44Å; V260-P274 WeakPolarHBondContact O-CG 3.44Å; P274-A278 VanDerWaalsContact O-CB 3.29Å; P274-A278 WeakPolarHBondContact O-CB 3.46Å; P274-A278 PolarHBondContact O-N 3.14Å; P274-A278 VanDerWaalsContact O-N 3.08Å; P274-L290 VanDerWaalsContact C-CD1 3.48Å; P274-L290 HydrophobicContact CB-CD1 3.89Å; P274-L290 HydrophobicContact CB-CD2 4.13Å; P274-L290 VanDerWaalsContact O-CD1 3.27Å; P274-L290 WeakPolarHBondContact O-CD1 3.41Å
275	L	92.4	Very high	76.3	Confident	3 Å²	3	58 Å²	58	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-71	-46.1	178.4	-179	62.4	0	0	0	112	T273 A278 C279 V287 L290 L291 E305 L306 A309 L325	T273-L275 PolarHBondContact O-N 3.29Å; T273-L275 VanDerWaalsContact O-N 3.09Å; T273-L275 PolarHBondContact OG1-N 3.39Å; L275-A278 PolarHBondContact O-N 3.19Å; L275-C279 WeakPolarHBondContact O-CB 3.36Å; L275-C279 PolarHBondContact O-N 3.4Å; L275-C279 PolarHBondContact O-SG 3.3Å; L275-V287 HydrophobicContact CD1-CG1 4.14Å; L275-L290 HydrophobicContact CD1-CB 4.17Å; L275-L291 HydrophobicContact CD1-CD2 3.99Å; L275-L291 HydrophobicContact CD1-CG 3.99Å; L275-L291 HydrophobicContact CD2-CD2 3.76Å; L275-E305 HydrophobicContact CD2-CG 4.45Å; L275-L306 HydrophobicContact CD2-CD2 4.07Å; L275-A309 HydrophobicContact CD2-CB 4.5Å; L275-A309 HydrophobicContact CG-CB 4.24Å; L275-L325 HydrophobicContact CD2-CD2 4.49Å
276	T	89.2	Confident	78.7	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-65.5	-40	-179.6	60	0	0	0	0	111.5	L271 T273 C279 Y280 E305 T308 A309	L271-T276 WeakPolarHBondContact O-CG2 3.29Å; L271-T276 PolarHBondContact O-OG1 2.94Å; T273-T276 PolarHBondContact N-OG1 3.07Å; T273-T276 PolarHBondContact O-N 3.29Å; T273-T276 VanDerWaalsContact O-N 3.13Å; T273-T276 PolarHBondContact O-OG1 2.97Å; T273-T276 PolarHBondContact OG1-N 3.32Å; T276-C279 PolarHBondContact O-N 3.01Å; T276-Y280 PolarHBondContact O-N 3.15Å; T276-E305 HydrophobicContact CG2-CG 4.47Å; T276-T308 HydrophobicContact CG2-CG2 3.93Å; T276-A309 HydrophobicContact CG2-CB 4.1Å
277	L	90.3	Very high	81.4	Confident	21 Å²	21	44 Å²	44	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-45.2	175.2	-67.5	169.9	0	0	0	113	M239 A243 E272 T273 C279 Y280 R281	M239-L277 HydrophobicContact CB-CD1 3.67Å; M239-L277 HydrophobicContact CG-CD1 4.05Å; A243-L277 HydrophobicContact CB-CB 4.24Å; E272-L277 HydrophobicContact CG-CD2 4.41Å; T273-L277 WeakPolarHBondContact O-CG 3.34Å; T273-L277 PolarHBondContact O-N 2.64Å; T273-L277 VanDerWaalsContact O-N 3.09Å; L277-C279 VanDerWaalsContact C-N 3.27Å; L277-C279 PolarHBondContact O-N 3.29Å; L277-Y280 PolarHBondContact O-N 2.94Å; L277-R281 WeakPolarHBondContact O-CG 3.35Å; L277-R281 PolarHBondContact O-N 3.25Å; L277-R281 VanDerWaalsContact O-N 3.14Å
278	A	94.3	Very high	84	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-32.9	174.4	0	0	0	0	0	112.4	A242 P274 L275 G282 H283 M286 V287 L290	A242-A278 HydrophobicContact CB-CB 4.33Å; P274-A278 VanDerWaalsContact O-CB 3.29Å; P274-A278 WeakPolarHBondContact O-CB 3.46Å; P274-A278 PolarHBondContact O-N 3.14Å; P274-A278 VanDerWaalsContact O-N 3.08Å; L275-A278 PolarHBondContact O-N 3.19Å; A278-G282 PolarHBondContact O-N 3.5Å; A278-H283 HydrophobicContact CB-CB 4.4Å; A278-H283 PolarHBondContact O-N 3.23Å; A278-M286 HydrophobicContact CB-CB 4.19Å; A278-M286 HydrophobicContact CB-CG 3.69Å; A278-V287 HydrophobicContact CB-CG2 3.87Å; A278-L290 HydrophobicContact CB-CD1 4.02Å
279	C	93.6	Very high	86.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-72.7	-42.2	176.5	-67.9	0	0	0	0	112.5	L275 T276 L277 R281 G282 V287 A309 A313 H318 V321	L275-C279 WeakPolarHBondContact O-CB 3.36Å; L275-C279 PolarHBondContact O-N 3.4Å; L275-C279 PolarHBondContact O-SG 3.3Å; T276-C279 PolarHBondContact O-N 3.01Å; L277-C279 VanDerWaalsContact C-N 3.27Å; L277-C279 PolarHBondContact O-N 3.29Å; C279-R281 VanDerWaalsContact C-N 3.3Å; C279-R281 PolarHBondContact O-N 2.61Å; C279-G282 PolarHBondContact O-N 2.97Å; C279-V287 VanDerWaalsContact SG-CG2 3.51Å; C279-A309 HydrophobicContact CB-CB 4.21Å; C279-A309 WeakPolarHBondContact CB-O 3.3Å; C279-A313 HydrophobicContact CB-CB 4.36Å; C279-H318 PolarHBondContact O-CD2 3.37Å; C279-H318 VanDerWaalsContact O-CD2 3.22Å; C279-V321 HydrophobicContact CB-CG1 3.77Å; C279-V321 VanDerWaalsContact SG-CG1 3.52Å
280	Y	89.2	Confident	89	Confident	69 Å²	69	32.6 Å²	32.6	27%	0.271	16%	0.164	S	C	.	.	H	α-helix	trans	-57.9	-41.8	174.2	178.4	-112.5	0	0	0	112.2	T276 L277 G282 E312 H318	T276-Y280 PolarHBondContact O-N 3.15Å; L277-Y280 PolarHBondContact O-N 2.94Å; Y280-G282 VanDerWaalsContact C-N 3.34Å; Y280-E312 HydrophobicContact CD2-CB 4.5Å; Y280-E312 WeakPolarHBondContact CD2-OE2 3.47Å; Y280-H318 PolarHBondContact O-NE2 2.84Å; Y280-H318 VanDerWaalsContact O-NE2 3.08Å
281	R	91.5	Very high	91	Very high	122 Å²	122	32.2 Å²	32.2	46%	0.46	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.7	179.9	-63.2	-69.4	-162.6	169.7	6.2	114.2	L277 C279 H283	L277-R281 WeakPolarHBondContact O-CG 3.35Å; L277-R281 PolarHBondContact O-N 3.25Å; L277-R281 VanDerWaalsContact O-N 3.14Å; C279-R281 VanDerWaalsContact C-N 3.3Å; C279-R281 PolarHBondContact O-N 2.61Å; R281-H283 VanDerWaalsContact C-N 3.29Å; R281-H283 VanDerWaalsContact CB-CD2 3.43Å; R281-H283 WeakPolarHBondContact CB-CD2 3.38Å; R281-H283 PolarHBondContact O-N 3.36Å
282	G	93.6	Very high	92.4	Very high	15 Å²	15	35.9 Å²	35.9	16%	0.155	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	9.9	176.4	0	0	0	0	0	115.9	A278 C279 Y280 T284 H318	A278-G282 PolarHBondContact O-N 3.5Å; C279-G282 PolarHBondContact O-N 2.97Å; Y280-G282 VanDerWaalsContact C-N 3.34Å; G282-T284 VanDerWaalsContact C-N 3.26Å; G282-T284 PolarHBondContact O-N 3.05Å; G282-T284 PolarHBondContact O-OG1 3.34Å; G282-T284 VanDerWaalsContact O-OG1 3.07Å; G282-H318 VanDerWaalsContact CA-CD2 3.41Å; G282-H318 WeakPolarHBondContact CA-CD2 3.33Å; G282-H318 VanDerWaalsContact CA-CG 3.48Å; G282-H318 PolarHBondContact N-CD2 3.36Å; G282-H318 PolarHBondContact N-NE2 3.24Å
283	H	96.2	Very high	93	Very high	48 Å²	48	34.8 Å²	34.8	22%	0.222	16%	0.164	C	C	.	.			trans	-69	73.6	-171.3	-72.5	-46.1	0	0	0	112.8	E14 A242 A243 A244 G245 A278 R281 D285 M286 V287	E14-H283 IonicContact OE1-CE1 3.75Å; E14-H283 PolarHBondContact OE1-CE1 3.47Å; E14-H283 VanDerWaalsContact OE1-CE1 3.3Å; A242-H283 PolarHBondContact O-CD2 3.18Å; A243-H283 PolarHBondContact O-CD2 3.21Å; A243-H283 PolarHBondContact O-NE2 3.38Å; A244-H283 WeakPolarHBondContact CA-NE2 3.43Å; G245-H283 PolarHBondContact N-CD2 2.99Å; G245-H283 PolarHBondContact N-NE2 3.32Å; A278-H283 HydrophobicContact CB-CB 4.4Å; A278-H283 PolarHBondContact O-N 3.23Å; R281-H283 VanDerWaalsContact C-N 3.29Å; R281-H283 VanDerWaalsContact CB-CD2 3.43Å; R281-H283 WeakPolarHBondContact CB-CD2 3.38Å; R281-H283 PolarHBondContact O-N 3.36Å; H283-D285 VanDerWaalsContact C-N 3.33Å; H283-D285 PolarHBondContact O-N 2.83Å; H283-M286 HydrophobicContact CB-CB 3.85Å; H283-M286 WeakPolarHBondContact O-CA 3.46Å; H283-M286 WeakPolarHBondContact O-CB 3.28Å; H283-M286 PolarHBondContact O-N 3.1Å; H283-V287 WeakPolarHBondContact O-CG2 3.45Å; H283-V287 PolarHBondContact O-N 3.03Å
284	T	96.7	Very high	92.6	Very high	41 Å²	41	34.7 Å²	34.7	25%	0.252	16%	0.163	S	C	.	.	H	α-helix	trans	-57.7	-38.1	-164	-66.8	0	0	0	0	113.9	G282 K288 E320 L324	G282-T284 VanDerWaalsContact C-N 3.26Å; G282-T284 PolarHBondContact O-N 3.05Å; G282-T284 PolarHBondContact O-OG1 3.34Å; G282-T284 VanDerWaalsContact O-OG1 3.07Å; T284-K288 WeakPolarHBondContact O-CG 3.32Å; T284-K288 PolarHBondContact O-N 3.04Å; T284-E320 HydrophobicContact CG2-CB 4.17Å; T284-L324 HydrophobicContact CG2-CD1 3.91Å
285	D	96.8	Very high	91.7	Very high	91 Å²	91	37 Å²	37	49%	0.487	19%	0.187	S	C	.	.	H	α-helix	trans	-81.1	-24.5	178	-73	-30.9	0	0	0	113.4	I247 H283 K288 F289	I247-D285 HydrophobicContact CD1-CB 3.42Å; I247-D285 VanDerWaalsContact CD1-CB 3.42Å; H283-D285 VanDerWaalsContact C-N 3.33Å; H283-D285 PolarHBondContact O-N 2.83Å; D285-K288 VanDerWaalsContact OD1-CD 3.3Å; D285-K288 WeakPolarHBondContact OD1-CD 3.2Å; D285-K288 WeakPolarHBondContact OD1-CE 3.36Å; D285-K288 IonicContact OD1-NZ 2.63Å; D285-K288 PolarHBondContact OD1-NZ 3.27Å; D285-F289 PolarHBondContact O-N 3.42Å; D285-F289 VanDerWaalsContact O-N 3.11Å
286	M	96.6	Very high	90.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-68	-44.1	166.9	-178.1	68.1	72.5	0	0	110.1	A241 A242 G245 H246 I247 A250 A278 H283 K288 F289 L290	A241-M286 VanDerWaalsContact O-CE 3.25Å; A241-M286 WeakPolarHBondContact O-CE 3.35Å; A242-M286 HydrophobicContact CB-CG 4.15Å; A242-M286 HydrophobicContact CB-SD 4.3Å; G245-M286 VanDerWaalsContact C-CE 3.48Å; H246-M286 VanDerWaalsContact C-CE 3.48Å; I247-M286 HydrophobicContact CB-CE 4.41Å; I247-M286 HydrophobicContact CG1-CB 4.07Å; I247-M286 HydrophobicContact CG1-CE 3.83Å; I247-M286 HydrophobicContact CG1-SD 4.32Å; A250-M286 HydrophobicContact CB-CE 3.69Å; A250-M286 HydrophobicContact CB-SD 3.64Å; A278-M286 HydrophobicContact CB-CB 4.19Å; A278-M286 HydrophobicContact CB-CG 3.69Å; H283-M286 HydrophobicContact CB-CB 3.85Å; H283-M286 WeakPolarHBondContact O-CA 3.46Å; H283-M286 WeakPolarHBondContact O-CB 3.28Å; H283-M286 PolarHBondContact O-N 3.1Å; M286-K288 PolarHBondContact O-N 3.17Å; M286-F289 WeakPolarHBondContact O-CA 3.41Å; M286-F289 WeakPolarHBondContact O-CB 3.01Å; M286-F289 PolarHBondContact O-N 3.31Å; M286-F289 VanDerWaalsContact O-N 3.07Å; M286-F289 HydrophobicContact SD-CD1 4.22Å; M286-L290 HydrophobicContact CG-CD1 3.75Å; M286-L290 HydrophobicContact CG-CG 4.24Å; M286-L290 WeakPolarHBondContact O-CG 3.44Å; M286-L290 PolarHBondContact O-N 2.73Å; M286-L290 HydrophobicContact SD-CD1 4.14Å; M286-L290 HydrophobicContact SD-CG 4.19Å
287	V	95.8	Very high	88.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-44.7	174.5	172.7	0	0	0	0	111.1	L275 A278 C279 H283 F289 L290 L291 V321 L324	L275-V287 HydrophobicContact CD1-CG1 4.14Å; A278-V287 HydrophobicContact CB-CG2 3.87Å; C279-V287 VanDerWaalsContact SG-CG2 3.51Å; H283-V287 WeakPolarHBondContact O-CG2 3.45Å; H283-V287 PolarHBondContact O-N 3.03Å; V287-F289 VanDerWaalsContact C-N 3.3Å; V287-F289 PolarHBondContact O-N 2.97Å; V287-L290 PolarHBondContact O-N 2.98Å; V287-L291 HydrophobicContact CG1-CD1 3.67Å; V287-L291 HydrophobicContact CG1-CG 4.13Å; V287-L291 VanDerWaalsContact O-CB 3.26Å; V287-L291 WeakPolarHBondContact O-CB 3.17Å; V287-L291 VanDerWaalsContact O-CG 3.24Å; V287-L291 WeakPolarHBondContact O-CG 3.48Å; V287-L291 PolarHBondContact O-N 2.98Å; V287-V321 HydrophobicContact CG1-CG1 4.29Å; V287-V321 HydrophobicContact CG2-CG1 4.15Å; V287-V321 HydrophobicContact CG2-CG2 4.19Å; V287-L324 HydrophobicContact CG1-CB 4.41Å; V287-L324 HydrophobicContact CG1-CD1 4.28Å
288	K	95.8	Very high	86.9	Confident	97 Å²	97	55.1 Å²	55.1	42%	0.422	28%	0.279	S	S	.	.	H	α-helix	trans	-58.4	-40.2	173	-70.4	171.3	-158.8	158.7	0	112.7	T284 D285 M286 K292 L324	T284-K288 WeakPolarHBondContact O-CG 3.32Å; T284-K288 PolarHBondContact O-N 3.04Å; D285-K288 VanDerWaalsContact OD1-CD 3.3Å; D285-K288 WeakPolarHBondContact OD1-CD 3.2Å; D285-K288 WeakPolarHBondContact OD1-CE 3.36Å; D285-K288 IonicContact OD1-NZ 2.63Å; D285-K288 PolarHBondContact OD1-NZ 3.27Å; M286-K288 PolarHBondContact O-N 3.17Å; K288-K292 WeakPolarHBondContact O-CB 3.38Å; K288-K292 PolarHBondContact O-N 2.73Å; K288-L324 HydrophobicContact CD-CD1 4.37Å; K288-L324 HydrophobicContact CG-CD1 3.6Å; K288-L324 HydrophobicContact CG-CD2 3.92Å; K288-L324 HydrophobicContact CG-CG 4.42Å
289	F	95.2	Very high	85.4	Confident	16 Å²	16	58 Å²	58	7%	0.07	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-54.1	177.3	172.8	-114.1	0	0	0	111.4	A250 R251 V254 D285 M286 V287 L291 K292 V293	A250-F289 HydrophobicContact CB-CD1 4.2Å; A250-F289 HydrophobicContact CB-CE1 3.87Å; A250-F289 WeakPolarHBondContact O-CE1 3.46Å; R251-F289 HydrophobicContact CG-CD2 4.39Å; R251-F289 HydrophobicContact CG-CE2 3.84Å; R251-F289 HydrophobicContact CG-CZ 3.93Å; V254-F289 HydrophobicContact CB-CZ 4.12Å; V254-F289 HydrophobicContact CG1-CZ 4.46Å; V254-F289 HydrophobicContact CG2-CE1 4.15Å; V254-F289 HydrophobicContact CG2-CZ 3.98Å; D285-F289 PolarHBondContact O-N 3.42Å; D285-F289 VanDerWaalsContact O-N 3.11Å; M286-F289 WeakPolarHBondContact O-CA 3.41Å; M286-F289 WeakPolarHBondContact O-CB 3.01Å; M286-F289 PolarHBondContact O-N 3.31Å; M286-F289 VanDerWaalsContact O-N 3.07Å; M286-F289 HydrophobicContact SD-CD1 4.22Å; V287-F289 VanDerWaalsContact C-N 3.3Å; V287-F289 PolarHBondContact O-N 2.97Å; F289-L291 PolarHBondContact O-N 3.37Å; F289-K292 WeakPolarHBondContact O-CA 3.46Å; F289-K292 WeakPolarHBondContact O-CB 3.38Å; F289-K292 PolarHBondContact O-N 2.89Å; F289-V293 HydrophobicContact CD2-CG1 4.22Å; F289-V293 HydrophobicContact CE1-CG2 4.29Å; F289-V293 HydrophobicContact CE2-CG1 3.68Å; F289-V293 HydrophobicContact CE2-CG2 4.41Å; F289-V293 HydrophobicContact CZ-CG1 4.07Å; F289-V293 HydrophobicContact CZ-CG2 4.21Å; F289-V293 WeakPolarHBondContact O-CG2 3.48Å; F289-V293 PolarHBondContact O-N 2.6Å
290	L	93.7	Very high	83.9	Confident	3 Å²	3	63 Å²	63	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-35.3	-177.5	-65.8	173.4	0	0	0	113.1	A242 V260 P274 L275 A278 M286 V287 K292 V293 G294	A242-L290 HydrophobicContact CB-CD1 4Å; V260-L290 HydrophobicContact CG1-CD2 4.26Å; P274-L290 VanDerWaalsContact C-CD1 3.48Å; P274-L290 HydrophobicContact CB-CD1 3.89Å; P274-L290 HydrophobicContact CB-CD2 4.13Å; P274-L290 VanDerWaalsContact O-CD1 3.27Å; P274-L290 WeakPolarHBondContact O-CD1 3.41Å; L275-L290 HydrophobicContact CD1-CB 4.17Å; A278-L290 HydrophobicContact CB-CD1 4.02Å; M286-L290 HydrophobicContact CG-CD1 3.75Å; M286-L290 HydrophobicContact CG-CG 4.24Å; M286-L290 WeakPolarHBondContact O-CG 3.44Å; M286-L290 PolarHBondContact O-N 2.73Å; M286-L290 HydrophobicContact SD-CD1 4.14Å; M286-L290 HydrophobicContact SD-CG 4.19Å; V287-L290 PolarHBondContact O-N 2.98Å; L290-K292 VanDerWaalsContact C-N 3.33Å; L290-V293 HydrophobicContact CD2-CG2 4.49Å; L290-G294 WeakPolarHBondContact O-CA 3.39Å; L290-G294 PolarHBondContact O-N 3.08Å
291	L	92.1	Very high	83.2	Confident	22 Å²	22	61.3 Å²	61.3	12%	0.115	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-38.3	170.8	-73.2	175.8	0	0	0	111.9	L275 V287 F289 G295 L306 L324 L325 A328	L275-L291 HydrophobicContact CD1-CD2 3.99Å; L275-L291 HydrophobicContact CD1-CG 3.99Å; L275-L291 HydrophobicContact CD2-CD2 3.76Å; V287-L291 HydrophobicContact CG1-CD1 3.67Å; V287-L291 HydrophobicContact CG1-CG 4.13Å; V287-L291 VanDerWaalsContact O-CB 3.26Å; V287-L291 WeakPolarHBondContact O-CB 3.17Å; V287-L291 VanDerWaalsContact O-CG 3.24Å; V287-L291 WeakPolarHBondContact O-CG 3.48Å; V287-L291 PolarHBondContact O-N 2.98Å; F289-L291 PolarHBondContact O-N 3.37Å; L291-G295 WeakPolarHBondContact O-CA 3.37Å; L291-G295 PolarHBondContact O-N 3.02Å; L291-L306 HydrophobicContact CD2-CD2 3.66Å; L291-L324 HydrophobicContact CD1-CB 3.92Å; L291-L325 HydrophobicContact CD1-CD2 4.43Å; L291-L325 HydrophobicContact CD2-CD2 4.21Å; L291-A328 HydrophobicContact CD1-CB 4.1Å; L291-A328 HydrophobicContact CD2-CB 3.82Å; L291-A328 HydrophobicContact CG-CB 4.47Å
292	K	91.6	Very high	82.7	Confident	147 Å²	147	57.3 Å²	57.3	64%	0.639	33%	0.329	S	S	*	.	H	α-helix	trans	-67.1	-53.5	176.1	-172.6	-166.8	172.1	-162.4	0	111.8	K288 F289 L290 G295	K288-K292 WeakPolarHBondContact O-CB 3.38Å; K288-K292 PolarHBondContact O-N 2.73Å; F289-K292 WeakPolarHBondContact O-CA 3.46Å; F289-K292 WeakPolarHBondContact O-CB 3.38Å; F289-K292 PolarHBondContact O-N 2.89Å; L290-K292 VanDerWaalsContact C-N 3.33Å; K292-G295 PolarHBondContact O-N 3.29Å
293	V	89.4	Confident	82.2	Confident	28 Å²	28	61.6 Å²	61.6	17%	0.17	35%	0.345	C	S	.	.	H	α-helix	trans	-74	-31.5	-176.1	-66.4	0	0	0	0	112.9	V254 V260 F289 L290	V254-V293 HydrophobicContact CG1-CG1 4.39Å; V260-V293 HydrophobicContact CB-CG2 4.44Å; V260-V293 HydrophobicContact CG1-CG2 3.68Å; V260-V293 HydrophobicContact CG2-CB 4.2Å; V260-V293 HydrophobicContact CG2-CG2 3.82Å; F289-V293 HydrophobicContact CD2-CG1 4.22Å; F289-V293 HydrophobicContact CE1-CG2 4.29Å; F289-V293 HydrophobicContact CE2-CG1 3.68Å; F289-V293 HydrophobicContact CE2-CG2 4.41Å; F289-V293 HydrophobicContact CZ-CG1 4.07Å; F289-V293 HydrophobicContact CZ-CG2 4.21Å; F289-V293 WeakPolarHBondContact O-CG2 3.48Å; F289-V293 PolarHBondContact O-N 2.6Å; L290-V293 HydrophobicContact CD2-CG2 4.49Å
294	G	80.5	Confident	81.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-74.4	-29.5	173.5	0	0	0	0	0	113.2	L290 E296 N297	L290-G294 WeakPolarHBondContact O-CA 3.39Å; L290-G294 PolarHBondContact O-N 3.08Å; G294-E296 PolarHBondContact O-N 2.96Å; G294-N297 PolarHBondContact O-N 3.3Å; G294-N297 VanDerWaalsContact O-N 3.09Å
295	G	71	Confident	80.8	Confident	48 Å²	48	64 Å²	64	50%	0.495	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.3	-179	0	0	0	0	0	115.4	L291 K292 N297	L291-G295 WeakPolarHBondContact O-CA 3.37Å; L291-G295 PolarHBondContact O-N 3.02Å; K292-G295 PolarHBondContact O-N 3.29Å; G295-N297 VanDerWaalsContact C-N 3.29Å
296	E	59.2	Low	80.5	Confident	156 Å²	156	60.1 Å²	60.1	73%	0.729	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-13.6	171.7	-62.2	-176.3	-173.2	0	0	112	G294	G294-E296 PolarHBondContact O-N 2.96Å
297	N	56.2	Low	80	Confident	85 Å²	85	60.3 Å²	60.3	46%	0.455	33%	0.334	S	S	.	.			trans	-108.6	105.5	-179	-68.8	-60.5	0	0	0	111.9	G294 G295 S299	G294-N297 PolarHBondContact O-N 3.3Å; G294-N297 VanDerWaalsContact O-N 3.09Å; G295-N297 VanDerWaalsContact C-N 3.29Å; N297-S299 PolarHBondContact O-N 3.09Å
298	N	56	Low	79.6	Confident	169 Å²	169	61 Å²	61	90%	0.904	34%	0.338	S	S	*	.			trans	-74.1	59.3	173.1	-73.1	-27.1	0	0	0	112.3
299	S	62.1	Low	79.3	Confident	59 Å²	59	56.4 Å²	56.4	41%	0.413	32%	0.318	S	S	.	.			trans	-73.3	143.6	177.5	-65.3	0	0	0	0	112.2	N297	N297-S299 PolarHBondContact O-N 3.09Å
300	A	62.3	Low	79.2	Confident	105 Å²	105	55.6 Å²	55.6	87%	0.868	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	145.7	163.2	0	0	0	0	0	110
301	G	75.4	Confident	79	Confident	35 Å²	35	55.6 Å²	55.6	36%	0.361	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	-6.1	-176.8	0	0	0	0	0	115.7	E303 E304 E305	G301-E303 PolarHBondContact O-N 3.02Å; G301-E304 PolarHBondContact O-N 3.07Å; G301-E304 VanDerWaalsContact O-N 3.13Å; G301-E305 PolarHBondContact O-N 3.25Å
302	R	80.5	Confident	78.8	Confident	38 Å²	38	55.4 Å²	55.4	14%	0.143	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-27.5	180	-174.1	55.5	166.6	-159.8	-5.7	114	E305 L306	R302-E305 WeakPolarHBondContact CD-OE2 3.31Å; R302-E305 IonicContact CZ-OE2 2.81Å; R302-E305 IonicContact NE-OE2 3.36Å; R302-E305 IonicContact NH1-OE1 2.96Å; R302-E305 IonicContact NH1-OE2 3.44Å; R302-E305 PolarHBondContact NH1-OE2 3.31Å; R302-L306 HydrophobicContact CG-CD1 4.06Å; R302-L306 HydrophobicContact CG-CG 4.36Å; R302-L306 VanDerWaalsContact O-CB 3.28Å; R302-L306 WeakPolarHBondContact O-CB 3.42Å; R302-L306 VanDerWaalsContact O-CG 3.23Å; R302-L306 WeakPolarHBondContact O-CG 3.31Å; R302-L306 PolarHBondContact O-N 3Å
303	E	82.3	Confident	78.9	Confident	104 Å²	104	48.4 Å²	48.4	49%	0.486	28%	0.283	S	S	.	.	H	α-helix	trans	-68.3	-46	174.9	-174.3	168.8	148.9	0	0	111.8	G301 H307 Q331 L334	G301-E303 PolarHBondContact O-N 3.02Å; E303-H307 WeakPolarHBondContact O-CB 3.22Å; E303-H307 PolarHBondContact O-N 3.1Å; E303-Q331 PolarHBondContact OE1-NE2 3.34Å; E303-L334 HydrophobicContact CG-CD1 4.28Å; E303-L334 HydrophobicContact CG-CD2 4.25Å; E303-L334 VanDerWaalsContact OE1-CD1 3.31Å; E303-L334 WeakPolarHBondContact OE1-CD1 3.39Å
304	E	80.6	Confident	79	Confident	129 Å²	129	47.1 Å²	47.1	60%	0.603	28%	0.275	S	S	*	.	H	α-helix	trans	-65	-45.7	174.6	-65.5	164.5	-152.4	0	0	110.8	G301 H307 T308	G301-E304 PolarHBondContact O-N 3.07Å; G301-E304 VanDerWaalsContact O-N 3.13Å; E304-H307 PolarHBondContact O-N 2.91Å; E304-T308 WeakPolarHBondContact O-CB 3.43Å; E304-T308 PolarHBondContact O-N 3.04Å; E304-T308 PolarHBondContact O-OG1 3.32Å
305	E	84	Confident	79.2	Confident	10 Å²	10	47.7 Å²	47.7	5%	0.047	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-49.6	176.3	-175.7	-169	-161.3	0	0	112.1	L271 T273 L275 T276 G301 R302 H307 T308 A309	L271-E305 HydrophobicContact CD2-CB 3.93Å; L271-E305 HydrophobicContact CD2-CG 4.26Å; T273-E305 WeakPolarHBondContact CB-OE1 3.19Å; T273-E305 HydrophobicContact CG2-CG 4.06Å; T273-E305 PolarHBondContact OG1-OE1 2.97Å; L275-E305 HydrophobicContact CD2-CG 4.45Å; T276-E305 HydrophobicContact CG2-CG 4.47Å; G301-E305 PolarHBondContact O-N 3.25Å; R302-E305 WeakPolarHBondContact CD-OE2 3.31Å; R302-E305 IonicContact CZ-OE2 2.81Å; R302-E305 IonicContact NE-OE2 3.36Å; R302-E305 IonicContact NH1-OE1 2.96Å; R302-E305 IonicContact NH1-OE2 3.44Å; R302-E305 PolarHBondContact NH1-OE2 3.31Å; E305-H307 VanDerWaalsContact C-N 3.26Å; E305-H307 PolarHBondContact O-N 3.36Å; E305-T308 PolarHBondContact O-N 3.06Å; E305-A309 VanDerWaalsContact O-CB 3.29Å; E305-A309 WeakPolarHBondContact O-CB 3.48Å; E305-A309 PolarHBondContact O-N 2.71Å
306	L	89.7	Confident	79.9	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.052	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-33	179	-77.7	172.7	0	0	0	112.1	L275 L291 R302 L310 L325 A328 A330	L275-L306 HydrophobicContact CD2-CD2 4.07Å; L291-L306 HydrophobicContact CD2-CD2 3.66Å; R302-L306 HydrophobicContact CG-CD1 4.06Å; R302-L306 HydrophobicContact CG-CG 4.36Å; R302-L306 VanDerWaalsContact O-CB 3.28Å; R302-L306 WeakPolarHBondContact O-CB 3.42Å; R302-L306 VanDerWaalsContact O-CG 3.23Å; R302-L306 WeakPolarHBondContact O-CG 3.31Å; R302-L306 PolarHBondContact O-N 3Å; L306-L310 WeakPolarHBondContact O-CB 3.4Å; L306-L310 PolarHBondContact O-N 2.91Å; L306-L310 VanDerWaalsContact O-N 3.09Å; L306-L325 HydrophobicContact CD2-CD2 3.89Å; L306-A328 HydrophobicContact CD2-CB 4.3Å; L306-A330 HydrophobicContact CB-CB 3.94Å
307	H	87.5	Confident	81.5	Confident	5 Å²	5	42 Å²	42	2%	0.023	25%	0.245	C	C	.	.	H	α-helix	trans	-74.5	-42.4	175.3	-176.2	77	0	0	0	112.2	E303 E304 E305 A309 L310 M311 Q331 L334	E303-H307 WeakPolarHBondContact O-CB 3.22Å; E303-H307 PolarHBondContact O-N 3.1Å; E304-H307 PolarHBondContact O-N 2.91Å; E305-H307 VanDerWaalsContact C-N 3.26Å; E305-H307 PolarHBondContact O-N 3.36Å; H307-A309 PolarHBondContact O-N 2.67Å; H307-L310 WeakPolarHBondContact O-CA 3.43Å; H307-L310 WeakPolarHBondContact O-CB 3.34Å; H307-L310 PolarHBondContact O-N 3.2Å; H307-L310 VanDerWaalsContact O-N 3.1Å; H307-M311 WeakPolarHBondContact CE1-CE 3.46Å; H307-M311 WeakPolarHBondContact NE2-CE 3.41Å; H307-M311 WeakPolarHBondContact O-CG 3.33Å; H307-M311 PolarHBondContact O-N 3.28Å; H307-Q331 PolarHBondContact ND1-O 3.37Å; H307-L334 HydrophobicContact CB-CB 4.36Å; H307-L334 HydrophobicContact CB-CD2 3.71Å; H307-L334 VanDerWaalsContact CE1-CB 3.48Å; H307-L334 WeakPolarHBondContact CE1-CB 3.37Å; H307-L334 WeakPolarHBondContact ND1-CB 3.39Å; H307-L334 PolarHBondContact NE2-O 3.31Å
308	T	86.6	Confident	83.3	Confident	15 Å²	15	39.8 Å²	39.8	9%	0.092	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-45.5	171.8	-57.5	0	0	0	0	110.9	T276 E304 E305 L310 M311 E312	T276-T308 HydrophobicContact CG2-CG2 3.93Å; E304-T308 WeakPolarHBondContact O-CB 3.43Å; E304-T308 PolarHBondContact O-N 3.04Å; E304-T308 PolarHBondContact O-OG1 3.32Å; E305-T308 PolarHBondContact O-N 3.06Å; T308-L310 PolarHBondContact O-N 3.23Å; T308-M311 WeakPolarHBondContact O-CB 3.49Å; T308-M311 PolarHBondContact O-N 2.95Å; T308-M311 VanDerWaalsContact O-N 3.08Å; T308-E312 WeakPolarHBondContact O-CG 3.38Å; T308-E312 PolarHBondContact O-N 2.84Å
309	A	90.5	Very high	85.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.3	-34.6	174.4	0	0	0	0	0	112.5	L275 T276 C279 E305 H307 A313 L325	L275-A309 HydrophobicContact CD2-CB 4.5Å; L275-A309 HydrophobicContact CG-CB 4.24Å; T276-A309 HydrophobicContact CG2-CB 4.1Å; C279-A309 HydrophobicContact CB-CB 4.21Å; C279-A309 WeakPolarHBondContact CB-O 3.3Å; E305-A309 VanDerWaalsContact O-CB 3.29Å; E305-A309 WeakPolarHBondContact O-CB 3.48Å; E305-A309 PolarHBondContact O-N 2.71Å; H307-A309 PolarHBondContact O-N 2.67Å; A309-A313 WeakPolarHBondContact O-CB 3.5Å; A309-A313 PolarHBondContact O-N 3.29Å; A309-L325 VanDerWaalsContact C-CD1 3.48Å; A309-L325 HydrophobicContact CB-CD1 4Å; A309-L325 HydrophobicContact CB-CD2 3.78Å; A309-L325 WeakPolarHBondContact O-CD1 3.43Å
310	L	93	Very high	86.9	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-70.5	-36.7	175.3	-167.5	68.5	0	0	0	111.7	L306 H307 T308 S314 A322 L325 L326 A330 P342 Y358	L306-L310 WeakPolarHBondContact O-CB 3.4Å; L306-L310 PolarHBondContact O-N 2.91Å; L306-L310 VanDerWaalsContact O-N 3.09Å; H307-L310 WeakPolarHBondContact O-CA 3.43Å; H307-L310 WeakPolarHBondContact O-CB 3.34Å; H307-L310 PolarHBondContact O-N 3.2Å; H307-L310 VanDerWaalsContact O-N 3.1Å; T308-L310 PolarHBondContact O-N 3.23Å; L310-S314 WeakPolarHBondContact O-CB 3.12Å; L310-S314 PolarHBondContact O-N 2.94Å; L310-S314 VanDerWaalsContact O-N 3.11Å; L310-S314 PolarHBondContact O-OG 3.48Å; L310-A322 HydrophobicContact CD1-CB 4.02Å; L310-L325 HydrophobicContact CB-CD1 4.24Å; L310-L325 HydrophobicContact CD1-CB 3.99Å; L310-L325 HydrophobicContact CD1-CD1 4.08Å; L310-L326 HydrophobicContact CD1-CG 4.09Å; L310-L326 HydrophobicContact CD2-CD2 4.1Å; L310-A330 HydrophobicContact CB-CB 4.4Å; L310-A330 HydrophobicContact CD2-CB 4.19Å; L310-P342 HydrophobicContact CD2-CB 4.33Å; L310-P342 HydrophobicContact CD2-CG 4Å; L310-P342 HydrophobicContact CG-CB 4.42Å; L310-P342 HydrophobicContact CG-CG 4.41Å; L310-Y358 HydrophobicContact CD1-CE1 3.92Å; L310-Y358 WeakPolarHBondContact CD1-OH 3.36Å; L310-Y358 HydrophobicContact CD2-CE1 4.49Å; L310-Y358 HydrophobicContact CG-CE1 4.36Å
311	M	88.8	Confident	88.6	Confident	2 Å²	2	30 Å²	30	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-50.6	172.5	-66.2	-62	-179.5	0	0	111.7	H307 T308 A313 S314 M315 F339 E340 P342 L345	H307-M311 WeakPolarHBondContact CE1-CE 3.46Å; H307-M311 WeakPolarHBondContact NE2-CE 3.41Å; H307-M311 WeakPolarHBondContact O-CG 3.33Å; H307-M311 PolarHBondContact O-N 3.28Å; T308-M311 WeakPolarHBondContact O-CB 3.49Å; T308-M311 PolarHBondContact O-N 2.95Å; T308-M311 VanDerWaalsContact O-N 3.08Å; M311-A313 VanDerWaalsContact C-N 3.34Å; M311-A313 PolarHBondContact O-N 3.3Å; M311-S314 WeakPolarHBondContact O-CA 3.41Å; M311-S314 VanDerWaalsContact O-CB 3.28Å; M311-S314 WeakPolarHBondContact O-CB 3.27Å; M311-S314 PolarHBondContact O-N 2.8Å; M311-M315 WeakPolarHBondContact O-CG 3.38Å; M311-M315 PolarHBondContact O-N 2.97Å; M311-F339 HydrophobicContact CE-CB 4.17Å; M311-F339 HydrophobicContact CG-CD1 4.1Å; M311-E340 WeakPolarHBondContact CE-O 3.25Å; M311-P342 VanDerWaalsContact CE-CD 3.5Å; M311-P342 HydrophobicContact CE-CG 3.73Å; M311-P342 HydrophobicContact SD-CB 4.4Å; M311-P342 HydrophobicContact SD-CG 3.92Å; M311-L345 HydrophobicContact CB-CD1 4Å; M311-L345 HydrophobicContact CG-CD1 4.4Å; M311-L345 WeakPolarHBondContact O-CD1 3.47Å; M311-L345 HydrophobicContact SD-CD1 3.55Å; M311-L345 VanDerWaalsContact SD-CD1 3.55Å
312	E	87.9	Confident	89.6	Confident	19 Å²	19	28.3 Å²	28.3	9%	0.089	14%	0.141	C	C	.	.	H	α-helix	trans	-58.8	-45.1	179.2	-65.7	-65.6	-179.8	0	0	111.6	Y280 T308 S314 M315 Y1055	Y280-E312 HydrophobicContact CD2-CB 4.5Å; Y280-E312 WeakPolarHBondContact CD2-OE2 3.47Å; T308-E312 WeakPolarHBondContact O-CG 3.38Å; T308-E312 PolarHBondContact O-N 2.84Å; E312-S314 PolarHBondContact O-N 3.43Å; E312-M315 PolarHBondContact O-N 3.37Å; E312-M315 WeakPolarHBondContact OE2-CE 3.42Å; E312-Y1055 PolarHBondContact OE1-OH 3.02Å
313	A	92.9	Very high	90.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-21.8	172.6	0	0	0	0	0	113.7	C279 A309 M311 G317 H318 V321 L325	C279-A313 HydrophobicContact CB-CB 4.36Å; A309-A313 WeakPolarHBondContact O-CB 3.5Å; A309-A313 PolarHBondContact O-N 3.29Å; M311-A313 VanDerWaalsContact C-N 3.34Å; M311-A313 PolarHBondContact O-N 3.3Å; A313-G317 PolarHBondContact O-N 2.58Å; A313-H318 HydrophobicContact CB-CB 4.38Å; A313-H318 PolarHBondContact O-N 3.32Å; A313-V321 HydrophobicContact CB-CB 4.24Å; A313-V321 HydrophobicContact CB-CG1 3.62Å; A313-L325 HydrophobicContact CB-CD1 4.19Å
314	S	92.7	Very high	91.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-85.8	-23.1	-179.7	-56.5	0	0	0	0	114.6	L310 M311 E312 H351 Y358	L310-S314 WeakPolarHBondContact O-CB 3.12Å; L310-S314 PolarHBondContact O-N 2.94Å; L310-S314 VanDerWaalsContact O-N 3.11Å; L310-S314 PolarHBondContact O-OG 3.48Å; M311-S314 WeakPolarHBondContact O-CA 3.41Å; M311-S314 VanDerWaalsContact O-CB 3.28Å; M311-S314 WeakPolarHBondContact O-CB 3.27Å; M311-S314 PolarHBondContact O-N 2.8Å; E312-S314 PolarHBondContact O-N 3.43Å; S314-H351 PolarHBondContact O-CD2 3Å; S314-H351 VanDerWaalsContact O-CD2 3.3Å; S314-Y358 WeakPolarHBondContact OG-CE2 3.38Å; S314-Y358 PolarHBondContact OG-OH 3.08Å
315	M	85	Confident	91.8	Very high	13 Å²	13	20.3 Å²	20.3	6%	0.064	11%	0.105	C	C	.	.	H	α-helix	trans	-66.7	-47.8	-179.2	-58	-176.8	-159.5	0	0	110.9	M311 E312 L345 H351 V1059	M311-M315 WeakPolarHBondContact O-CG 3.38Å; M311-M315 PolarHBondContact O-N 2.97Å; E312-M315 PolarHBondContact O-N 3.37Å; E312-M315 WeakPolarHBondContact OE2-CE 3.42Å; M315-L345 HydrophobicContact CG-CD1 4.13Å; M315-L345 HydrophobicContact CG-CD2 4.41Å; M315-H351 PolarHBondContact O-NE2 3.09Å; M315-V1059 HydrophobicContact CE-CB 4.41Å; M315-V1059 HydrophobicContact CE-CG1 3.92Å; M315-V1059 HydrophobicContact CE-CG2 3.59Å; M315-V1059 HydrophobicContact CG-CG1 4.41Å; M315-V1059 HydrophobicContact SD-CB 4.36Å; M315-V1059 HydrophobicContact SD-CG1 3.71Å; M315-V1059 HydrophobicContact SD-CG2 3.99Å
316	D	84.8	Confident	92.3	Very high	68 Å²	68	20.6 Å²	20.6	36%	0.364	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-3.1	-175.8	-150.2	61.1	0	0	0	113.5	H318 H351 S1066	D316-H318 IonicContact OD2-CE1 3.85Å; D316-H318 PolarHBondContact OD2-CE1 2.68Å; D316-H318 IonicContact OD2-NE2 3.7Å; D316-H351 PolarHBondContact O-CE1 3.47Å; D316-S1066 WeakPolarHBondContact OD1-CB 3.45Å; D316-S1066 PolarHBondContact OD1-OG 3.38Å
317	G	92.1	Very high	92.5	Very high	16 Å²	16	27.1 Å²	27.1	17%	0.165	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	28.1	166.7	0	0	0	0	0	115.9	A313 V319 H351	A313-G317 PolarHBondContact O-N 2.58Å; G317-V319 VanDerWaalsContact C-N 3.32Å; G317-V319 PolarHBondContact O-N 2.95Å; G317-H351 PolarHBondContact N-NE2 3.25Å
318	H	95.8	Very high	92.7	Very high	38 Å²	38	29.2 Å²	29.2	18%	0.176	16%	0.155	C	C	.	.			trans	-74.8	74	-173	-60.8	-45.7	0	0	0	113	C279 Y280 G282 A313 D316 E320 V321 A322	C279-H318 PolarHBondContact O-CD2 3.37Å; C279-H318 VanDerWaalsContact O-CD2 3.22Å; Y280-H318 PolarHBondContact O-NE2 2.84Å; Y280-H318 VanDerWaalsContact O-NE2 3.08Å; G282-H318 VanDerWaalsContact CA-CD2 3.41Å; G282-H318 WeakPolarHBondContact CA-CD2 3.33Å; G282-H318 VanDerWaalsContact CA-CG 3.48Å; G282-H318 PolarHBondContact N-CD2 3.36Å; G282-H318 PolarHBondContact N-NE2 3.24Å; A313-H318 HydrophobicContact CB-CB 4.38Å; A313-H318 PolarHBondContact O-N 3.32Å; D316-H318 IonicContact OD2-CE1 3.85Å; D316-H318 PolarHBondContact OD2-CE1 2.68Å; D316-H318 IonicContact OD2-NE2 3.7Å; H318-E320 VanDerWaalsContact C-N 3.34Å; H318-E320 PolarHBondContact O-N 3.49Å; H318-V321 HydrophobicContact CB-CB 3.9Å; H318-V321 HydrophobicContact CB-CG2 4.05Å; H318-V321 WeakPolarHBondContact O-CB 3.42Å; H318-V321 PolarHBondContact O-N 2.91Å; H318-V321 VanDerWaalsContact O-N 3.09Å; H318-A322 PolarHBondContact O-N 2.22Å
319	V	96.5	Very high	92.9	Very high	31 Å²	31	31 Å²	31	19%	0.188	18%	0.176	C	C	.	.	H	α-helix	trans	-51.9	-42.7	-174.1	178.3	0	0	0	0	113.9	G317 A322 K323 D353 L354	G317-V319 VanDerWaalsContact C-N 3.32Å; G317-V319 PolarHBondContact O-N 2.95Å; V319-A322 PolarHBondContact O-N 2.97Å; V319-K323 WeakPolarHBondContact O-CG 3.48Å; V319-K323 PolarHBondContact O-N 2.99Å; V319-D353 HydrophobicContact CG2-CB 4.24Å; V319-L354 HydrophobicContact CG2-CB 4.08Å; V319-L354 HydrophobicContact CG2-CD1 4.3Å
320	E	97.1	Very high	92.9	Very high	97 Å²	97	31.4 Å²	31.4	45%	0.453	18%	0.18	S	C	.	.	H	α-helix	trans	-72.9	-33.8	-179.2	-54.3	-47.3	121.4	0	0	112.7	T284 H318 K323 L324	T284-E320 HydrophobicContact CG2-CB 4.17Å; H318-E320 VanDerWaalsContact C-N 3.34Å; H318-E320 PolarHBondContact O-N 3.49Å; E320-K323 PolarHBondContact O-N 3.18Å; E320-K323 IonicContact OE1-NZ 3.12Å; E320-K323 PolarHBondContact OE1-NZ 2.96Å; E320-K323 WeakPolarHBondContact OE2-CD 3.34Å; E320-K323 IonicContact OE2-NZ 2.69Å; E320-K323 PolarHBondContact OE2-NZ 3.36Å; E320-L324 WeakPolarHBondContact O-CG 3.34Å; E320-L324 PolarHBondContact O-N 3.43Å
321	V	97.3	Very high	92.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-48	170.9	170.2	0	0	0	0	110.1	C279 V287 A313 H318 K323 L324 L325	C279-V321 HydrophobicContact CB-CG1 3.77Å; C279-V321 VanDerWaalsContact SG-CG1 3.52Å; V287-V321 HydrophobicContact CG1-CG1 4.29Å; V287-V321 HydrophobicContact CG2-CG1 4.15Å; V287-V321 HydrophobicContact CG2-CG2 4.19Å; A313-V321 HydrophobicContact CB-CB 4.24Å; A313-V321 HydrophobicContact CB-CG1 3.62Å; H318-V321 HydrophobicContact CB-CB 3.9Å; H318-V321 HydrophobicContact CB-CG2 4.05Å; H318-V321 WeakPolarHBondContact O-CB 3.42Å; H318-V321 PolarHBondContact O-N 2.91Å; H318-V321 VanDerWaalsContact O-N 3.09Å; V321-K323 VanDerWaalsContact C-N 3.31Å; V321-K323 PolarHBondContact O-N 2.89Å; V321-L324 WeakPolarHBondContact O-CB 3.42Å; V321-L324 PolarHBondContact O-N 3.06Å; V321-L324 VanDerWaalsContact O-N 3.12Å; V321-L325 HydrophobicContact CG1-CD1 3.88Å; V321-L325 HydrophobicContact CG1-CG 4.39Å; V321-L325 WeakPolarHBondContact O-CG 3.49Å; V321-L325 PolarHBondContact O-N 2.96Å
322	A	97	Very high	93	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-38.7	178.8	0	0	0	0	0	112.7	L310 H318 V319 L325 L326 L354 L357 Y358	L310-A322 HydrophobicContact CD1-CB 4.02Å; H318-A322 PolarHBondContact O-N 2.22Å; V319-A322 PolarHBondContact O-N 2.97Å; A322-L325 PolarHBondContact O-N 3.07Å; A322-L326 WeakPolarHBondContact O-CB 3.27Å; A322-L326 WeakPolarHBondContact O-CD1 3.3Å; A322-L326 WeakPolarHBondContact O-CG 3.44Å; A322-L326 PolarHBondContact O-N 2.73Å; A322-L354 HydrophobicContact CB-CD1 3.38Å; A322-L357 HydrophobicContact CB-CD2 3.96Å; A322-Y358 HydrophobicContact CB-CE1 4.06Å; A322-Y358 WeakPolarHBondContact CB-OH 3.27Å
323	K	97.1	Very high	93.1	Very high	67 Å²	67	37.8 Å²	37.8	29%	0.291	21%	0.212	S	C	.	.	H	α-helix	trans	-58.2	-50.1	171.7	-73.8	168	-177.3	161.5	0	111.7	V319 E320 V321 L325 L326 E327 L357	V319-K323 WeakPolarHBondContact O-CG 3.48Å; V319-K323 PolarHBondContact O-N 2.99Å; E320-K323 PolarHBondContact O-N 3.18Å; E320-K323 IonicContact OE1-NZ 3.12Å; E320-K323 PolarHBondContact OE1-NZ 2.96Å; E320-K323 WeakPolarHBondContact OE2-CD 3.34Å; E320-K323 IonicContact OE2-NZ 2.69Å; E320-K323 PolarHBondContact OE2-NZ 3.36Å; V321-K323 VanDerWaalsContact C-N 3.31Å; V321-K323 PolarHBondContact O-N 2.89Å; K323-L325 VanDerWaalsContact C-N 3.33Å; K323-L325 PolarHBondContact O-N 3.11Å; K323-L326 CarbonylContact O-C 3.56Å; K323-L326 PolarHBondContact O-N 2.94Å; K323-E327 WeakPolarHBondContact O-CB 3.45Å; K323-E327 WeakPolarHBondContact O-CG 3.46Å; K323-E327 PolarHBondContact O-N 2.98Å; K323-L357 HydrophobicContact CB-CD2 4.48Å; K323-L357 HydrophobicContact CG-CD1 3.96Å; K323-L357 HydrophobicContact CG-CD2 3.67Å; K323-L357 HydrophobicContact CG-CG 4.48Å
324	L	96	Very high	92.6	Very high	35 Å²	35	39.5 Å²	39.5	18%	0.183	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-40.9	-179.2	-68.7	165.4	0	0	0	112	T284 V287 K288 L291 E320 V321 E327 A328	T284-L324 HydrophobicContact CG2-CD1 3.91Å; V287-L324 HydrophobicContact CG1-CB 4.41Å; V287-L324 HydrophobicContact CG1-CD1 4.28Å; K288-L324 HydrophobicContact CD-CD1 4.37Å; K288-L324 HydrophobicContact CG-CD1 3.6Å; K288-L324 HydrophobicContact CG-CD2 3.92Å; K288-L324 HydrophobicContact CG-CG 4.42Å; L291-L324 HydrophobicContact CD1-CB 3.92Å; E320-L324 WeakPolarHBondContact O-CG 3.34Å; E320-L324 PolarHBondContact O-N 3.43Å; V321-L324 WeakPolarHBondContact O-CB 3.42Å; V321-L324 PolarHBondContact O-N 3.06Å; V321-L324 VanDerWaalsContact O-N 3.12Å; L324-E327 PolarHBondContact O-N 2.85Å; L324-A328 WeakPolarHBondContact O-CB 3.47Å; L324-A328 PolarHBondContact O-N 3.07Å
325	L	94.9	Very high	91.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-45.1	175.2	-68.1	169.7	0	0	0	111.8	L275 L291 L306 A309 L310 A313 V321 A322 K323 E327 A328 G329 A330	L275-L325 HydrophobicContact CD2-CD2 4.49Å; L291-L325 HydrophobicContact CD1-CD2 4.43Å; L291-L325 HydrophobicContact CD2-CD2 4.21Å; L306-L325 HydrophobicContact CD2-CD2 3.89Å; A309-L325 VanDerWaalsContact C-CD1 3.48Å; A309-L325 HydrophobicContact CB-CD1 4Å; A309-L325 HydrophobicContact CB-CD2 3.78Å; A309-L325 WeakPolarHBondContact O-CD1 3.43Å; L310-L325 HydrophobicContact CB-CD1 4.24Å; L310-L325 HydrophobicContact CD1-CB 3.99Å; L310-L325 HydrophobicContact CD1-CD1 4.08Å; A313-L325 HydrophobicContact CB-CD1 4.19Å; V321-L325 HydrophobicContact CG1-CD1 3.88Å; V321-L325 HydrophobicContact CG1-CG 4.39Å; V321-L325 WeakPolarHBondContact O-CG 3.49Å; V321-L325 PolarHBondContact O-N 2.96Å; A322-L325 PolarHBondContact O-N 3.07Å; K323-L325 VanDerWaalsContact C-N 3.33Å; K323-L325 PolarHBondContact O-N 3.11Å; L325-E327 PolarHBondContact O-N 3.42Å; L325-A328 CarbonylContact O-C 3.46Å; L325-A328 PolarHBondContact O-N 3.37Å; L325-A328 VanDerWaalsContact O-N 3.17Å; L325-G329 PolarHBondContact O-N 3.06Å; L325-G329 VanDerWaalsContact O-N 3.09Å; L325-A330 HydrophobicContact CB-CB 3.98Å; L325-A330 VanDerWaalsContact O-CB 3.23Å; L325-A330 WeakPolarHBondContact O-CB 3.45Å; L325-A330 PolarHBondContact O-N 3.45Å
326	L	94.5	Very high	90.1	Very high	17 Å²	17	44.6 Å²	44.6	9%	0.089	27%	0.265	C	S	.	.	H	α-helix	trans	-69.4	-17.8	176	-71.4	164.7	0	0	0	114	L310 A322 K323 V332 L357 Y358 K361	L310-L326 HydrophobicContact CD1-CG 4.09Å; L310-L326 HydrophobicContact CD2-CD2 4.1Å; A322-L326 WeakPolarHBondContact O-CB 3.27Å; A322-L326 WeakPolarHBondContact O-CD1 3.3Å; A322-L326 WeakPolarHBondContact O-CG 3.44Å; A322-L326 PolarHBondContact O-N 2.73Å; K323-L326 CarbonylContact O-C 3.56Å; K323-L326 PolarHBondContact O-N 2.94Å; L326-V332 HydrophobicContact CD2-CB 4.18Å; L326-L357 HydrophobicContact CD1-CD1 4.2Å; L326-L357 HydrophobicContact CD1-CD2 3.75Å; L326-L357 HydrophobicContact CD1-CG 3.72Å; L326-Y358 HydrophobicContact CD1-CD1 3.84Å; L326-Y358 HydrophobicContact CD1-CE1 3.73Å; L326-K361 HydrophobicContact CD1-CG 4.02Å; L326-K361 HydrophobicContact CD2-CG 4.26Å; L326-K361 PolarHBondContact O-NZ 2.61Å
327	E	94	Very high	88.7	Confident	147 Å²	147	48 Å²	48	69%	0.687	28%	0.284	S	S	*	.	H	α-helix	trans	-87.2	-31	170.3	-75.1	174	-172.9	0	0	111.5	K323 L324 L325 G329	K323-E327 WeakPolarHBondContact O-CB 3.45Å; K323-E327 WeakPolarHBondContact O-CG 3.46Å; K323-E327 PolarHBondContact O-N 2.98Å; L324-E327 PolarHBondContact O-N 2.85Å; L325-E327 PolarHBondContact O-N 3.42Å; E327-G329 VanDerWaalsContact C-N 3.26Å; E327-G329 PolarHBondContact O-N 3.22Å
328	A	92.3	Very high	86.8	Confident	49 Å²	49	48.5 Å²	48.5	41%	0.405	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-3.3	171.6	0	0	0	0	0	114.3	L291 L306 L324 L325	L291-A328 HydrophobicContact CD1-CB 4.1Å; L291-A328 HydrophobicContact CD2-CB 3.82Å; L291-A328 HydrophobicContact CG-CB 4.47Å; L306-A328 HydrophobicContact CD2-CB 4.3Å; L324-A328 WeakPolarHBondContact O-CB 3.47Å; L324-A328 PolarHBondContact O-N 3.07Å; L325-A328 CarbonylContact O-C 3.46Å; L325-A328 PolarHBondContact O-N 3.37Å; L325-A328 VanDerWaalsContact O-N 3.17Å
329	G	91	Very high	85.1	Confident	52 Å²	52	49.8 Å²	49.8	54%	0.536	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.9	12.7	173.5	0	0	0	0	0	116.1	L325 E327 Q331	L325-G329 PolarHBondContact O-N 3.06Å; L325-G329 VanDerWaalsContact O-N 3.09Å; E327-G329 VanDerWaalsContact C-N 3.26Å; E327-G329 PolarHBondContact O-N 3.22Å; G329-Q331 PolarHBondContact O-N 2.73Å
330	A	91.4	Very high	84.1	Confident	9 Å²	9	49 Å²	49	7%	0.074	28%	0.283	C	S	.	.			trans	-56.4	131.2	172.5	0	0	0	0	0	111.3	L306 L310 L325	L306-A330 HydrophobicContact CB-CB 3.94Å; L310-A330 HydrophobicContact CB-CB 4.4Å; L310-A330 HydrophobicContact CD2-CB 4.19Å; L325-A330 HydrophobicContact CB-CB 3.98Å; L325-A330 VanDerWaalsContact O-CB 3.23Å; L325-A330 WeakPolarHBondContact O-CB 3.45Å; L325-A330 PolarHBondContact O-N 3.45Å
331	Q	90.4	Very high	83.7	Confident	83 Å²	83	44.8 Å²	44.8	39%	0.388	26%	0.264	S	S	.	.			trans	-84	126.2	178.5	-70.2	-172	43.5	0	0	111	E303 H307 G329 N333 L334	E303-Q331 PolarHBondContact OE1-NE2 3.34Å; H307-Q331 PolarHBondContact ND1-O 3.37Å; G329-Q331 PolarHBondContact O-N 2.73Å; Q331-N333 VanDerWaalsContact C-N 3.33Å; Q331-L334 HydrophobicContact CB-CB 4.09Å
332	V	92.3	Very high	83.4	Confident	13 Å²	13	44.9 Å²	44.9	8%	0.079	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.4	-178.8	72.7	0	0	0	0	113.4	L326 P342 Y358 K361 A363	L326-V332 HydrophobicContact CD2-CB 4.18Å; V332-P342 WeakPolarHBondContact O-CD 3.45Å; V332-P342 WeakPolarHBondContact O-CG 3.49Å; V332-Y358 HydrophobicContact CG2-CD1 4Å; V332-Y358 HydrophobicContact CG2-CG 3.99Å; V332-K361 HydrophobicContact CG1-CB 4.32Å; V332-A363 HydrophobicContact CG2-CB 3.86Å
333	N	89.6	Confident	83.4	Confident	58 Å²	58	44.9 Å²	44.9	31%	0.31	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	38.7	-180	-56.9	-34.2	0	0	0	111.7	Q331 A335 G362 A363 S364	Q331-N333 VanDerWaalsContact C-N 3.33Å; N333-A335 PolarHBondContact O-N 3.06Å; N333-G362 PolarHBondContact ND2-O 3.38Å; N333-A363 VanDerWaalsContact OD1-CA 3.25Å; N333-A363 WeakPolarHBondContact OD1-CA 3.37Å; N333-S364 PolarHBondContact OD1-N 2.63Å; N333-S364 PolarHBondContact OD1-OG 3.17Å
334	L	83.9	Confident	83.2	Confident	36 Å²	36	41.7 Å²	41.7	19%	0.188	25%	0.251	C	S	.	.			trans	-65.8	129.1	172	-168.3	66.6	0	0	0	108.3	E303 H307 Q331 A336	E303-L334 HydrophobicContact CG-CD1 4.28Å; E303-L334 HydrophobicContact CG-CD2 4.25Å; E303-L334 VanDerWaalsContact OE1-CD1 3.31Å; E303-L334 WeakPolarHBondContact OE1-CD1 3.39Å; H307-L334 HydrophobicContact CB-CB 4.36Å; H307-L334 HydrophobicContact CB-CD2 3.71Å; H307-L334 VanDerWaalsContact CE1-CB 3.48Å; H307-L334 WeakPolarHBondContact CE1-CB 3.37Å; H307-L334 WeakPolarHBondContact ND1-CB 3.39Å; H307-L334 PolarHBondContact NE2-O 3.31Å; Q331-L334 HydrophobicContact CB-CB 4.09Å; L334-A336 PolarHBondContact O-N 3.19Å
335	A	66.1	Low	83	Confident	87 Å²	87	40.5 Å²	40.5	72%	0.719	25%	0.245	S	C	*	.			trans	-75.7	78.5	178.2	0	0	0	0	0	110.1	N333	N333-A335 PolarHBondContact O-N 3.06Å
336	A	59	Low	83	Confident	33 Å²	33	40.5 Å²	40.5	27%	0.273	25%	0.245	S	C	.	.			trans	-73.7	130.4	174.5	0	0	0	0	0	110.3	L334 T338 F339	L334-A336 PolarHBondContact O-N 3.19Å; A336-T338 PolarHBondContact O-N 3.38Å; A336-F339 HydrophobicContact CB-CB 3.9Å; A336-F339 HydrophobicContact CB-CD2 3.86Å; A336-F339 HydrophobicContact CB-CG 4.17Å
337	D	55.2	Low	83.1	Confident	140 Å²	140	39.7 Å²	39.7	75%	0.749	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-31	-171.3	-81.8	-29.7	0	0	0	114.7
338	T	51.9	Low	83	Confident	26 Å²	26	33.9 Å²	33.9	16%	0.16	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-154.9	49.2	-175.5	56.2	0	0	0	0	113.1	A336 E370 Q1052	A336-T338 PolarHBondContact O-N 3.38Å; T338-E370 WeakPolarHBondContact CB-OE1 3.13Å; T338-Q1052 HydrophobicContact CG2-CB 3.66Å; T338-Q1052 HydrophobicContact CG2-CG 3.86Å; T338-Q1052 VanDerWaalsContact OG1-CB 3.26Å; T338-Q1052 WeakPolarHBondContact OG1-CB 3.32Å; T338-Q1052 VanDerWaalsContact OG1-CD 3.3Å; T338-Q1052 WeakPolarHBondContact OG1-CG 3.42Å; T338-Q1052 PolarHBondContact OG1-NE2 2.94Å
339	F	60.5	Low	82.9	Confident	65 Å²	65	32.2 Å²	32.2	29%	0.285	20%	0.203	S	C	.	.			trans	-122.9	152.3	169.6	-71.2	-114	0	0	0	109.8	M311 A336 Y1055	M311-F339 HydrophobicContact CE-CB 4.17Å; M311-F339 HydrophobicContact CG-CD1 4.1Å; A336-F339 HydrophobicContact CB-CB 3.9Å; A336-F339 HydrophobicContact CB-CD2 3.86Å; A336-F339 HydrophobicContact CB-CG 4.17Å; F339-Y1055 AromaticContact CD1-CE1 3.89Å; F339-Y1055 HydrophobicContact CD1-CE1 3.89Å; F339-Y1055 HydrophobicContact CE1-CD1 4.06Å; F339-Y1055 AromaticContact CE1-CE1 3.27Å; F339-Y1055 HydrophobicContact CE1-CE1 3.27Å; F339-Y1055 AromaticContact CE1-CZ 3.78Å; F339-Y1055 HydrophobicContact CZ-CD1 4.21Å; F339-Y1055 AromaticContact CZ-CE1 3.8Å; F339-Y1055 HydrophobicContact CZ-CE1 3.8Å
340	E	74.5	Confident	83.1	Confident	16 Å²	16	30.8 Å²	30.8	8%	0.075	19%	0.188	C	C	.	.			trans	-74.2	146.4	166.2	-41.6	-163.7	140	0	0	108.6	M311 T344 L345 N369 R1060	M311-E340 WeakPolarHBondContact CE-O 3.25Å; E340-T344 HydrophobicContact CB-CG2 4.04Å; E340-L345 HydrophobicContact CB-CD2 4.32Å; E340-L345 HydrophobicContact CB-CG 4.34Å; E340-N369 HydrophobicContact CB-CB 4.2Å; E340-N369 HydrophobicContact CG-CB 4.03Å; E340-N369 PolarHBondContact OE1-ND2 3.19Å; E340-R1060 IonicContact OE1-CZ 2.63Å; E340-R1060 VanDerWaalsContact OE1-CZ 3.32Å; E340-R1060 IonicContact OE1-NE 3.13Å; E340-R1060 PolarHBondContact OE1-NE 3.42Å; E340-R1060 VanDerWaalsContact OE1-NE 3.12Å; E340-R1060 IonicContact OE1-NH2 3.91Å; E340-R1060 PolarHBondContact OE1-NH2 2.85Å
341	S	88.4	Confident	83.4	Confident	8 Å²	8	32.5 Å²	32.5	6%	0.056	19%	0.194	C	C	.	.			trans	-62.8	157	179.6	83.8	0	0	0	0	111.4	L343 T344 L345 E367	S341-L343 PolarHBondContact O-N 2.8Å; S341-L343 VanDerWaalsContact O-N 3.14Å; S341-L343 PolarHBondContact OG-N 3.21Å; S341-T344 WeakPolarHBondContact O-CA 3.44Å; S341-T344 WeakPolarHBondContact O-CB 3.47Å; S341-T344 PolarHBondContact O-N 3.17Å; S341-T344 PolarHBondContact OG-N 3.32Å; S341-T344 VanDerWaalsContact OG-N 3.13Å; S341-T344 PolarHBondContact OG-OG1 3.01Å; S341-L345 PolarHBondContact O-N 2.99Å; S341-E367 WeakPolarHBondContact CB-OE2 3.4Å
342	P	92.2	Very high	83.7	Confident	1 Å²	1	31 Å²	31	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-30.8	177.5	-21.3	33.7	0	0	0	111.7	L310 M311 V332 A346 Y358	L310-P342 HydrophobicContact CD2-CB 4.33Å; L310-P342 HydrophobicContact CD2-CG 4Å; L310-P342 HydrophobicContact CG-CB 4.42Å; L310-P342 HydrophobicContact CG-CG 4.41Å; M311-P342 VanDerWaalsContact CE-CD 3.5Å; M311-P342 HydrophobicContact CE-CG 3.73Å; M311-P342 HydrophobicContact SD-CB 4.4Å; M311-P342 HydrophobicContact SD-CG 3.92Å; V332-P342 WeakPolarHBondContact O-CD 3.45Å; V332-P342 WeakPolarHBondContact O-CG 3.49Å; P342-A346 VanDerWaalsContact O-CB 3.3Å; P342-A346 WeakPolarHBondContact O-CB 3.33Å; P342-A346 PolarHBondContact O-N 3.2Å; P342-Y358 HydrophobicContact CB-CD2 3.76Å; P342-Y358 HydrophobicContact CB-CE2 3.37Å; P342-Y358 HydrophobicContact CB-CG 4.49Å; P342-Y358 WeakPolarHBondContact O-CD2 3.36Å; P342-Y358 VanDerWaalsContact O-CE2 3.24Å; P342-Y358 WeakPolarHBondContact O-CE2 3.33Å
343	L	95.6	Very high	84	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-71.2	-36.1	174	-174.6	64.4	0	0	0	112.4	S341 A346 A347 A355 L359 A363 L365 P375 L391	S341-L343 PolarHBondContact O-N 2.8Å; S341-L343 VanDerWaalsContact O-N 3.14Å; S341-L343 PolarHBondContact OG-N 3.21Å; L343-A346 PolarHBondContact O-N 2.84Å; L343-A347 WeakPolarHBondContact O-CB 3.38Å; L343-A347 PolarHBondContact O-N 3.21Å; L343-A355 HydrophobicContact CD1-CB 3.97Å; L343-L359 HydrophobicContact CD1-CD1 4.45Å; L343-L359 HydrophobicContact CD1-CD2 4.32Å; L343-L359 HydrophobicContact CD1-CG 4.04Å; L343-L359 HydrophobicContact CD2-CD2 3.75Å; L343-L359 HydrophobicContact CD2-CG 4.37Å; L343-A363 HydrophobicContact CB-CB 4.04Å; L343-A363 HydrophobicContact CD2-CB 3.9Å; L343-A363 HydrophobicContact CG-CB 4.43Å; L343-L365 HydrophobicContact CD2-CD2 4.29Å; L343-P375 HydrophobicContact CB-CG 4.33Å; L343-P375 HydrophobicContact CD2-CB 4.23Å; L343-P375 HydrophobicContact CD2-CG 4.01Å; L343-P375 HydrophobicContact CG-CB 4Å; L343-P375 HydrophobicContact CG-CG 3.97Å; L343-L391 HydrophobicContact CD1-CD2 4.21Å; L343-L391 HydrophobicContact CD2-CD2 3.99Å; L343-L391 HydrophobicContact CG-CD2 4.3Å
344	T	93.1	Very high	84.4	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-44.2	172.9	-56.9	0	0	0	0	111.3	E340 S341 A347 C348 N369 P375 E378	E340-T344 HydrophobicContact CB-CG2 4.04Å; S341-T344 WeakPolarHBondContact O-CA 3.44Å; S341-T344 WeakPolarHBondContact O-CB 3.47Å; S341-T344 PolarHBondContact O-N 3.17Å; S341-T344 PolarHBondContact OG-N 3.32Å; S341-T344 VanDerWaalsContact OG-N 3.13Å; S341-T344 PolarHBondContact OG-OG1 3.01Å; T344-A347 WeakPolarHBondContact O-CB 3.48Å; T344-A347 PolarHBondContact O-N 3.42Å; T344-A347 VanDerWaalsContact O-N 3.17Å; T344-C348 VanDerWaalsContact O-CB 3.3Å; T344-C348 WeakPolarHBondContact O-CB 3.43Å; T344-C348 PolarHBondContact O-N 3.39Å; T344-N369 HydrophobicContact CG2-CB 4.24Å; T344-P375 WeakPolarHBondContact OG1-CG 3.45Å; T344-E378 HydrophobicContact CG2-CG 4.02Å
345	L	92	Very high	85	Confident	10 Å²	10	30.3 Å²	30.3	5%	0.052	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-45.9	174.1	-69.3	177.8	0	0	0	111.6	M311 M315 E340 S341 A347 C348 G349 V1059	M311-L345 HydrophobicContact CB-CD1 4Å; M311-L345 HydrophobicContact CG-CD1 4.4Å; M311-L345 WeakPolarHBondContact O-CD1 3.47Å; M311-L345 HydrophobicContact SD-CD1 3.55Å; M311-L345 VanDerWaalsContact SD-CD1 3.55Å; M315-L345 HydrophobicContact CG-CD1 4.13Å; M315-L345 HydrophobicContact CG-CD2 4.41Å; E340-L345 HydrophobicContact CB-CD2 4.32Å; E340-L345 HydrophobicContact CB-CG 4.34Å; S341-L345 PolarHBondContact O-N 2.99Å; L345-A347 PolarHBondContact O-N 2.77Å; L345-C348 PolarHBondContact O-N 3.32Å; L345-G349 PolarHBondContact O-N 2.84Å; L345-V1059 HydrophobicContact CD2-CG1 4.32Å
346	A	95.1	Very high	86.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-32	175.1	0	0	0	0	0	113	P342 L343 G350 H351 L354 A355 Y358	P342-A346 VanDerWaalsContact O-CB 3.3Å; P342-A346 WeakPolarHBondContact O-CB 3.33Å; P342-A346 PolarHBondContact O-N 3.2Å; L343-A346 PolarHBondContact O-N 2.84Å; A346-G350 PolarHBondContact O-N 2.8Å; A346-H351 HydrophobicContact CB-CB 4.4Å; A346-H351 PolarHBondContact O-N 2.96Å; A346-L354 HydrophobicContact CB-CB 4.22Å; A346-L354 HydrophobicContact CB-CD2 3.76Å; A346-L354 HydrophobicContact CB-CG 4.09Å; A346-A355 HydrophobicContact CB-CB 4.27Å; A346-Y358 HydrophobicContact CB-CD2 4.17Å; A346-Y358 HydrophobicContact CB-CE2 4.26Å
347	A	95.8	Very high	88.4	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-75.3	-43.7	177.4	0	0	0	0	0	112.9	L343 T344 L345 G350 P375 A379 H384 V387 L391	L343-A347 WeakPolarHBondContact O-CB 3.38Å; L343-A347 PolarHBondContact O-N 3.21Å; T344-A347 WeakPolarHBondContact O-CB 3.48Å; T344-A347 PolarHBondContact O-N 3.42Å; T344-A347 VanDerWaalsContact O-N 3.17Å; L345-A347 PolarHBondContact O-N 2.77Å; A347-G350 PolarHBondContact O-N 2.67Å; A347-P375 HydrophobicContact CB-CB 4.01Å; A347-P375 VanDerWaalsContact CB-O 3.31Å; A347-P375 WeakPolarHBondContact CB-O 3.29Å; A347-A379 HydrophobicContact CB-CB 4.03Å; A347-H384 PolarHBondContact O-CD2 2.8Å; A347-H384 VanDerWaalsContact O-CD2 3.31Å; A347-V387 HydrophobicContact CB-CG1 4.33Å; A347-L391 HydrophobicContact CB-CD1 4.4Å
348	C	93	Very high	90.4	Very high	25 Å²	25	23.3 Å²	23.3	17%	0.169	13%	0.126	C	C	.	.	H	α-helix	trans	-67.7	-35.4	176.1	-177.7	0	0	0	0	112.6	T344 L345 E378 H384 Q1067	T344-C348 VanDerWaalsContact O-CB 3.3Å; T344-C348 WeakPolarHBondContact O-CB 3.43Å; T344-C348 PolarHBondContact O-N 3.39Å; L345-C348 PolarHBondContact O-N 3.32Å; C348-E378 HydrophobicContact CB-CB 4.4Å; C348-H384 PolarHBondContact O-CD2 3.47Å; C348-H384 PolarHBondContact O-NE2 2.89Å; C348-H384 VanDerWaalsContact O-NE2 3.14Å; C348-Q1067 PolarHBondContact O-NE2 2.85Å; C348-Q1067 VanDerWaalsContact O-NE2 3.13Å
349	G	90.5	Very high	92.5	Very high	14 Å²	14	23.6 Å²	23.6	14%	0.144	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.6	173.5	0	0	0	0	0	115	L345 H351	L345-G349 PolarHBondContact O-N 2.84Å; G349-H351 VanDerWaalsContact C-N 3.3Å; G349-H351 PolarHBondContact O-N 3.47Å
350	G	95	Very high	94.2	Very high	21 Å²	21	24.8 Å²	24.8	22%	0.216	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	14.7	-176.7	0	0	0	0	0	114.9	A346 A347 L352 H384	A346-G350 PolarHBondContact O-N 2.8Å; A347-G350 PolarHBondContact O-N 2.67Å; G350-L352 VanDerWaalsContact C-N 3.3Å; G350-L352 PolarHBondContact O-N 3.15Å; G350-H384 VanDerWaalsContact CA-CD2 3.4Å; G350-H384 WeakPolarHBondContact CA-CD2 3.24Å; G350-H384 PolarHBondContact N-CD2 2.91Å; G350-H384 VanDerWaalsContact N-CD2 3.33Å; G350-H384 PolarHBondContact N-NE2 3.27Å
351	H	96.5	Very high	95.3	Very high	45 Å²	45	28.7 Å²	28.7	21%	0.208	16%	0.16	C	C	.	.			trans	-73.8	73.2	-171.1	-60.7	-48.9	0	0	0	112.4	S314 M315 D316 G317 A346 G349 D353 L354 A355	S314-H351 PolarHBondContact O-CD2 3Å; S314-H351 VanDerWaalsContact O-CD2 3.3Å; M315-H351 PolarHBondContact O-NE2 3.09Å; D316-H351 PolarHBondContact O-CE1 3.47Å; G317-H351 PolarHBondContact N-NE2 3.25Å; A346-H351 HydrophobicContact CB-CB 4.4Å; A346-H351 PolarHBondContact O-N 2.96Å; G349-H351 VanDerWaalsContact C-N 3.3Å; G349-H351 PolarHBondContact O-N 3.47Å; H351-D353 PolarHBondContact O-N 3.29Å; H351-L354 HydrophobicContact CB-CB 3.78Å; H351-L354 HydrophobicContact CB-CD2 4.18Å; H351-L354 WeakPolarHBondContact O-CA 3.38Å; H351-L354 VanDerWaalsContact O-CB 3.32Å; H351-L354 WeakPolarHBondContact O-CB 3.48Å; H351-L354 PolarHBondContact O-N 2.95Å; H351-A355 PolarHBondContact O-N 2.67Å
352	L	97.9	Very high	95.6	Very high	51 Å²	51	30.7 Å²	30.7	27%	0.267	18%	0.182	S	C	.	.	H	α-helix	trans	-50.4	-47	-170.9	179.8	66.7	0	0	0	114.9	G350 L354 A355 K356 A386 V387 L390	G350-L352 VanDerWaalsContact C-N 3.3Å; G350-L352 PolarHBondContact O-N 3.15Å; L352-L354 VanDerWaalsContact C-N 3.34Å; L352-A355 PolarHBondContact O-N 2.94Å; L352-K356 WeakPolarHBondContact O-CG 3.43Å; L352-K356 PolarHBondContact O-N 3.43Å; L352-A386 HydrophobicContact CD1-CB 4.06Å; L352-A386 WeakPolarHBondContact CD1-O 3.26Å; L352-A386 HydrophobicContact CD2-CB 4.05Å; L352-V387 HydrophobicContact CB-CG2 4.33Å; L352-V387 HydrophobicContact CD1-CG2 4.3Å; L352-L390 HydrophobicContact CD1-CB 4.16Å; L352-L390 HydrophobicContact CD1-CD2 3.96Å
353	D	98	Very high	95.7	Very high	93 Å²	93	31.1 Å²	31.1	50%	0.497	19%	0.186	S	C	.	.	H	α-helix	trans	-76.5	-24.2	-177.5	-69.4	-49.2	0	0	0	112.8	V319 H351 K356 L357	V319-D353 HydrophobicContact CG2-CB 4.24Å; H351-D353 PolarHBondContact O-N 3.29Å; D353-K356 WeakPolarHBondContact OD1-CD 3.48Å; D353-K356 WeakPolarHBondContact OD1-CE 3.42Å; D353-K356 IonicContact OD1-NZ 2.81Å; D353-K356 PolarHBondContact OD1-NZ 2.84Å; D353-L357 PolarHBondContact O-N 3.43Å; D353-L357 VanDerWaalsContact O-N 3.09Å
354	L	97.1	Very high	95.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-71.4	-44.6	170.1	-167.2	72.4	0	0	0	111.1	V319 A322 A346 H351 L352 K356 L357 Y358	V319-L354 HydrophobicContact CG2-CB 4.08Å; V319-L354 HydrophobicContact CG2-CD1 4.3Å; A322-L354 HydrophobicContact CB-CD1 3.38Å; A346-L354 HydrophobicContact CB-CB 4.22Å; A346-L354 HydrophobicContact CB-CD2 3.76Å; A346-L354 HydrophobicContact CB-CG 4.09Å; H351-L354 HydrophobicContact CB-CB 3.78Å; H351-L354 HydrophobicContact CB-CD2 4.18Å; H351-L354 WeakPolarHBondContact O-CA 3.38Å; H351-L354 VanDerWaalsContact O-CB 3.32Å; H351-L354 WeakPolarHBondContact O-CB 3.48Å; H351-L354 PolarHBondContact O-N 2.95Å; L352-L354 VanDerWaalsContact C-N 3.34Å; L354-K356 VanDerWaalsContact C-N 3.32Å; L354-K356 PolarHBondContact O-N 2.84Å; L354-L357 HydrophobicContact CD1-CD2 4.41Å; L354-L357 WeakPolarHBondContact O-CB 3.33Å; L354-L357 PolarHBondContact O-N 2.96Å; L354-L357 VanDerWaalsContact O-N 3.1Å; L354-Y358 HydrophobicContact CD1-CE1 4.04Å; L354-Y358 HydrophobicContact CD1-CE2 4.06Å; L354-Y358 HydrophobicContact CD2-CE2 3.75Å; L354-Y358 HydrophobicContact CG-CD2 4.14Å; L354-Y358 HydrophobicContact CG-CE1 4.34Å; L354-Y358 HydrophobicContact CG-CE2 3.56Å; L354-Y358 PolarHBondContact O-N 2.83Å
355	A	97.7	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-41.6	173.6	0	0	0	0	0	111.6	L343 A346 H351 L352 L357 Y358 L359 V387 L390	L343-A355 HydrophobicContact CD1-CB 3.97Å; A346-A355 HydrophobicContact CB-CB 4.27Å; H351-A355 PolarHBondContact O-N 2.67Å; L352-A355 PolarHBondContact O-N 2.94Å; A355-L357 VanDerWaalsContact C-N 3.35Å; A355-L357 PolarHBondContact O-N 3.41Å; A355-Y358 PolarHBondContact O-N 2.99Å; A355-L359 WeakPolarHBondContact O-CB 3.38Å; A355-L359 WeakPolarHBondContact O-CD1 3.4Å; A355-L359 WeakPolarHBondContact O-CG 3.16Å; A355-L359 PolarHBondContact O-N 3.22Å; A355-V387 HydrophobicContact CB-CG1 3.99Å; A355-L390 HydrophobicContact CB-CD2 3.78Å
356	K	98.1	Very high	95.8	Very high	89 Å²	89	37.2 Å²	37.2	39%	0.387	22%	0.22	S	C	.	.	H	α-helix	trans	-58.7	-44.7	172.1	-70.9	172.2	-162.8	154.3	0	112	L352 D353 L354 S360 L390	L352-K356 WeakPolarHBondContact O-CG 3.43Å; L352-K356 PolarHBondContact O-N 3.43Å; D353-K356 WeakPolarHBondContact OD1-CD 3.48Å; D353-K356 WeakPolarHBondContact OD1-CE 3.42Å; D353-K356 IonicContact OD1-NZ 2.81Å; D353-K356 PolarHBondContact OD1-NZ 2.84Å; L354-K356 VanDerWaalsContact C-N 3.32Å; L354-K356 PolarHBondContact O-N 2.84Å; K356-S360 WeakPolarHBondContact O-CB 3.34Å; K356-S360 PolarHBondContact O-N 3.42Å; K356-L390 HydrophobicContact CB-CD2 4.38Å; K356-L390 HydrophobicContact CG-CD1 3.93Å; K356-L390 HydrophobicContact CG-CD2 3.59Å; K356-L390 HydrophobicContact CG-CG 4.43Å
357	L	97.8	Very high	95.6	Very high	24 Å²	24	40.2 Å²	40.2	13%	0.126	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-48.6	179	177.4	64.7	0	0	0	110.8	A322 K323 L326 D353 L354 A355 S360 K361	A322-L357 HydrophobicContact CB-CD2 3.96Å; K323-L357 HydrophobicContact CB-CD2 4.48Å; K323-L357 HydrophobicContact CG-CD1 3.96Å; K323-L357 HydrophobicContact CG-CD2 3.67Å; K323-L357 HydrophobicContact CG-CG 4.48Å; L326-L357 HydrophobicContact CD1-CD1 4.2Å; L326-L357 HydrophobicContact CD1-CD2 3.75Å; L326-L357 HydrophobicContact CD1-CG 3.72Å; D353-L357 PolarHBondContact O-N 3.43Å; D353-L357 VanDerWaalsContact O-N 3.09Å; L354-L357 HydrophobicContact CD1-CD2 4.41Å; L354-L357 WeakPolarHBondContact O-CB 3.33Å; L354-L357 PolarHBondContact O-N 2.96Å; L354-L357 VanDerWaalsContact O-N 3.1Å; A355-L357 VanDerWaalsContact C-N 3.35Å; A355-L357 PolarHBondContact O-N 3.41Å; L357-S360 PolarHBondContact O-N 3.14Å; L357-S360 PolarHBondContact O-OG 3.09Å; L357-K361 WeakPolarHBondContact O-CG 3.49Å; L357-K361 PolarHBondContact O-N 3.47Å; L357-K361 VanDerWaalsContact O-N 3.16Å
358	Y	97.1	Very high	95.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-42.5	-179.4	-64.3	-17	0	0	0	112.8	L310 S314 A322 L326 V332 P342 A346 L354 A355 S360 K361 G362 A363	L310-Y358 HydrophobicContact CD1-CE1 3.92Å; L310-Y358 WeakPolarHBondContact CD1-OH 3.36Å; L310-Y358 HydrophobicContact CD2-CE1 4.49Å; L310-Y358 HydrophobicContact CG-CE1 4.36Å; S314-Y358 WeakPolarHBondContact OG-CE2 3.38Å; S314-Y358 PolarHBondContact OG-OH 3.08Å; A322-Y358 HydrophobicContact CB-CE1 4.06Å; A322-Y358 WeakPolarHBondContact CB-OH 3.27Å; L326-Y358 HydrophobicContact CD1-CD1 3.84Å; L326-Y358 HydrophobicContact CD1-CE1 3.73Å; V332-Y358 HydrophobicContact CG2-CD1 4Å; V332-Y358 HydrophobicContact CG2-CG 3.99Å; P342-Y358 HydrophobicContact CB-CD2 3.76Å; P342-Y358 HydrophobicContact CB-CE2 3.37Å; P342-Y358 HydrophobicContact CB-CG 4.49Å; P342-Y358 WeakPolarHBondContact O-CD2 3.36Å; P342-Y358 VanDerWaalsContact O-CE2 3.24Å; P342-Y358 WeakPolarHBondContact O-CE2 3.33Å; A346-Y358 HydrophobicContact CB-CD2 4.17Å; A346-Y358 HydrophobicContact CB-CE2 4.26Å; L354-Y358 HydrophobicContact CD1-CE1 4.04Å; L354-Y358 HydrophobicContact CD1-CE2 4.06Å; L354-Y358 HydrophobicContact CD2-CE2 3.75Å; L354-Y358 HydrophobicContact CG-CD2 4.14Å; L354-Y358 HydrophobicContact CG-CE1 4.34Å; L354-Y358 HydrophobicContact CG-CE2 3.56Å; L354-Y358 PolarHBondContact O-N 2.83Å; A355-Y358 PolarHBondContact O-N 2.99Å; Y358-S360 VanDerWaalsContact C-N 3.31Å; Y358-S360 PolarHBondContact O-N 3.15Å; Y358-K361 CarbonylContact O-C 3.58Å; Y358-K361 WeakPolarHBondContact O-CA 3.35Å; Y358-K361 PolarHBondContact O-N 3.24Å; Y358-G362 PolarHBondContact O-N 3.13Å; Y358-A363 VanDerWaalsContact C-CB 3.49Å; Y358-A363 VanDerWaalsContact O-CB 3.24Å; Y358-A363 WeakPolarHBondContact O-CB 3.46Å; Y358-A363 PolarHBondContact O-N 3.09Å
359	L	97	Very high	95	Very high	33 Å²	33	42.4 Å²	42.4	17%	0.173	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-39.2	172.6	-67.3	166	0	0	0	111.7	L343 A355 K361 G362 L365 L390 L391	L343-L359 HydrophobicContact CD1-CD1 4.45Å; L343-L359 HydrophobicContact CD1-CD2 4.32Å; L343-L359 HydrophobicContact CD1-CG 4.04Å; L343-L359 HydrophobicContact CD2-CD2 3.75Å; L343-L359 HydrophobicContact CD2-CG 4.37Å; A355-L359 WeakPolarHBondContact O-CB 3.38Å; A355-L359 WeakPolarHBondContact O-CD1 3.4Å; A355-L359 WeakPolarHBondContact O-CG 3.16Å; A355-L359 PolarHBondContact O-N 3.22Å; L359-K361 PolarHBondContact O-N 3.03Å; L359-G362 PolarHBondContact O-N 3.38Å; L359-G362 VanDerWaalsContact O-N 3.07Å; L359-L365 HydrophobicContact CD2-CD2 3.45Å; L359-L365 VanDerWaalsContact CD2-CD2 3.45Å; L359-L365 HydrophobicContact CD2-CG 4.18Å; L359-L390 HydrophobicContact CD1-CD1 4.26Å; L359-L390 HydrophobicContact CD1-CD2 3.84Å; L359-L390 HydrophobicContact CD1-CG 3.72Å; L359-L391 HydrophobicContact CD1-CD2 4.21Å; L359-L391 HydrophobicContact CD2-CD2 4.4Å
360	S	96.7	Very high	94.7	Very high	90 Å²	90	44.6 Å²	44.6	63%	0.629	25%	0.247	S	C	*	.	H	α-helix	trans	-66.8	-16.8	174.8	80.8	0	0	0	0	114.4	K356 L357 Y358	K356-S360 WeakPolarHBondContact O-CB 3.34Å; K356-S360 PolarHBondContact O-N 3.42Å; L357-S360 PolarHBondContact O-N 3.14Å; L357-S360 PolarHBondContact O-OG 3.09Å; Y358-S360 VanDerWaalsContact C-N 3.31Å; Y358-S360 PolarHBondContact O-N 3.15Å
361	K	96.4	Very high	94.2	Very high	97 Å²	97	45.8 Å²	45.8	42%	0.422	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	2.9	174.8	-64.3	-78.9	-174.4	159.6	0	113.1	L326 V332 L357 Y358 L359	L326-K361 HydrophobicContact CD1-CG 4.02Å; L326-K361 HydrophobicContact CD2-CG 4.26Å; L326-K361 PolarHBondContact O-NZ 2.61Å; V332-K361 HydrophobicContact CG1-CB 4.32Å; L357-K361 WeakPolarHBondContact O-CG 3.49Å; L357-K361 PolarHBondContact O-N 3.47Å; L357-K361 VanDerWaalsContact O-N 3.16Å; Y358-K361 CarbonylContact O-C 3.58Å; Y358-K361 WeakPolarHBondContact O-CA 3.35Å; Y358-K361 PolarHBondContact O-N 3.24Å; L359-K361 PolarHBondContact O-N 3.03Å
362	G	94.8	Very high	93.9	Very high	50 Å²	50	43.6 Å²	43.6	52%	0.515	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	29.9	176.9	0	0	0	0	0	115.2	N333 Y358 L359	N333-G362 PolarHBondContact ND2-O 3.38Å; Y358-G362 PolarHBondContact O-N 3.13Å; L359-G362 PolarHBondContact O-N 3.38Å; L359-G362 VanDerWaalsContact O-N 3.07Å
363	A	95.3	Very high	93.8	Very high	11 Å²	11	41.7 Å²	41.7	9%	0.091	23%	0.226	C	C	.	.			trans	-59.2	141.4	178.5	0	0	0	0	0	114.1	V332 N333 L343 Y358 L365	V332-A363 HydrophobicContact CG2-CB 3.86Å; N333-A363 VanDerWaalsContact OD1-CA 3.25Å; N333-A363 WeakPolarHBondContact OD1-CA 3.37Å; L343-A363 HydrophobicContact CB-CB 4.04Å; L343-A363 HydrophobicContact CD2-CB 3.9Å; L343-A363 HydrophobicContact CG-CB 4.43Å; Y358-A363 VanDerWaalsContact C-CB 3.49Å; Y358-A363 VanDerWaalsContact O-CB 3.24Å; Y358-A363 WeakPolarHBondContact O-CB 3.46Å; Y358-A363 PolarHBondContact O-N 3.09Å; A363-L365 PolarHBondContact O-N 3.08Å
364	S	93.7	Very high	93.6	Very high	44 Å²	44	37.2 Å²	37.2	31%	0.308	20%	0.203	S	C	.	.			trans	-67.1	117.2	179.5	-64.5	0	0	0	0	112.2	N333	N333-S364 PolarHBondContact OD1-N 2.63Å; N333-S364 PolarHBondContact OD1-OG 3.17Å
365	L	95.2	Very high	93.6	Very high	34 Å²	34	37.2 Å²	37.2	18%	0.178	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-33.5	178.6	-73	169.4	0	0	0	113.8	L343 L359 A363 P375 L391 A396	L343-L365 HydrophobicContact CD2-CD2 4.29Å; L359-L365 HydrophobicContact CD2-CD2 3.45Å; L359-L365 VanDerWaalsContact CD2-CD2 3.45Å; L359-L365 HydrophobicContact CD2-CG 4.18Å; A363-L365 PolarHBondContact O-N 3.08Å; L365-P375 WeakPolarHBondContact O-CD 3.33Å; L365-L391 HydrophobicContact CD2-CD2 3.66Å; L365-A396 HydrophobicContact CD2-CB 4.25Å
366	E	93.7	Very high	93.6	Very high	60 Å²	60	37.3 Å²	37.3	28%	0.28	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	27.2	-168.2	-50.5	-51.5	152.7	0	0	113.2	A396 D397 M400	E366-A396 WeakPolarHBondContact OE1-CA 3.49Å; E366-D397 PolarHBondContact OE1-N 3.19Å; E366-M400 HydrophobicContact CB-CE 3.77Å; E366-M400 HydrophobicContact CB-SD 4.12Å; E366-M400 HydrophobicContact CG-CE 3.71Å; E366-M400 WeakPolarHBondContact OE2-CE 3.46Å
367	E	89.3	Confident	93.6	Very high	63 Å²	63	33 Å²	33	29%	0.294	18%	0.184	S	C	.	.			trans	-84.8	125.6	178.7	-175.9	164.2	-154.1	0	0	111.2	S341 P375	S341-E367 WeakPolarHBondContact CB-OE2 3.4Å; E367-P375 WeakPolarHBondContact O-CD 3.44Å
368	F	89.5	Confident	93.5	Very high	66 Å²	66	32 Å²	32	29%	0.289	18%	0.179	S	C	.	.			trans	-87.4	122.1	-179	-70.4	-63.4	0	0	0	112.4	G372 Y373 T374 M400 L401 R403	F368-G372 WeakPolarHBondContact CD1-O 3.31Å; F368-G372 WeakPolarHBondContact CE1-O 3.41Å; F368-Y373 WeakPolarHBondContact CA-O 3.26Å; F368-T374 HydrophobicContact CD1-CG2 3.77Å; F368-T374 HydrophobicContact CE1-CG2 3.65Å; F368-T374 HydrophobicContact CZ-CG2 4.35Å; F368-M400 HydrophobicContact CE1-SD 4.28Å; F368-M400 HydrophobicContact CE2-SD 4.28Å; F368-M400 HydrophobicContact CZ-CG 4.08Å; F368-M400 HydrophobicContact CZ-SD 3.69Å; F368-L401 WeakPolarHBondContact CE1-O 3.36Å; F368-L401 VanDerWaalsContact CZ-O 3.27Å; F368-L401 WeakPolarHBondContact CZ-O 3.36Å; F368-R403 VanDerWaalsContact CB-NH2 3.27Å; F368-R403 HydrophobicContact CD2-CG 4.49Å; F368-R403 HydrophobicContact CG-CG 4.31Å; F368-R403 PolarHBondContact O-NH2 2.97Å
369	N	87.8	Confident	93.5	Very high	6 Å²	6	32 Å²	32	3%	0.032	18%	0.179	C	C	.	.			trans	-67.5	-175.4	170.1	76.1	-9.6	0	0	0	112.9	E340 T344 E371 G372 Y373 E378 R403	E340-N369 HydrophobicContact CB-CB 4.2Å; E340-N369 HydrophobicContact CG-CB 4.03Å; E340-N369 PolarHBondContact OE1-ND2 3.19Å; T344-N369 HydrophobicContact CG2-CB 4.24Å; N369-E371 PolarHBondContact O-N 3.25Å; N369-E371 PolarHBondContact OD1-N 2.96Å; N369-G372 PolarHBondContact O-N 3.45Å; N369-G372 PolarHBondContact OD1-N 3.19Å; N369-Y373 PolarHBondContact N-O 3.44Å; N369-Y373 PolarHBondContact OD1-N 3.42Å; N369-Y373 PolarHBondContact OD1-O 2.88Å; N369-E378 PolarHBondContact ND2-OE1 2.85Å; N369-R403 VanDerWaalsContact O-CZ 3.29Å; N369-R403 PolarHBondContact O-NH1 3.22Å; N369-R403 PolarHBondContact O-NH2 3.2Å
370	E	84.1	Confident	93.5	Very high	60 Å²	60	30.5 Å²	30.5	28%	0.28	17%	0.171	S	C	.	.	S	Bend	trans	-60.2	-39.8	178.7	-66.5	-163.6	149.8	0	0	114	T338 G372 Q1053 A1056	T338-E370 WeakPolarHBondContact CB-OE1 3.13Å; E370-G372 PolarHBondContact O-N 2.83Å; E370-Q1053 PolarHBondContact OE2-NE2 2.81Å; E370-A1056 WeakPolarHBondContact OE2-CB 3.46Å
371	E	84.9	Confident	93.5	Very high	45 Å²	45	29.6 Å²	29.6	21%	0.21	15%	0.154	C	C	.	.	S	Bend	trans	-68.5	-23.4	179.1	-72.3	-172.9	-169.5	0	0	112.5	N369 Y373 R381 R404 R1060	N369-E371 PolarHBondContact O-N 3.25Å; N369-E371 PolarHBondContact OD1-N 2.96Å; E371-Y373 HydrophobicContact CB-CD2 3.59Å; E371-Y373 HydrophobicContact CB-CE2 3.66Å; E371-R381 IonicContact OE2-CZ 2.81Å; E371-R381 IonicContact OE2-NH1 2.69Å; E371-R381 PolarHBondContact OE2-NH1 3.08Å; E371-R381 IonicContact OE2-NH2 3.34Å; E371-R381 PolarHBondContact OE2-NH2 3.07Å; E371-R404 PolarHBondContact O-NE 2.73Å; E371-R1060 IonicContact OE1-CZ 2.67Å; E371-R1060 IonicContact OE1-NE 2.83Å; E371-R1060 IonicContact OE1-NH1 3.11Å; E371-R1060 PolarHBondContact OE1-NH1 3.44Å
372	G	90.8	Very high	93.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	105.9	24.8	176.4	0	0	0	0	0	114	F368 N369 E370 S402 R403	F368-G372 WeakPolarHBondContact CD1-O 3.31Å; F368-G372 WeakPolarHBondContact CE1-O 3.41Å; N369-G372 PolarHBondContact O-N 3.45Å; N369-G372 PolarHBondContact OD1-N 3.19Å; E370-G372 PolarHBondContact O-N 2.83Å; G372-S402 CarbonylContact O-C 3.47Å; G372-S402 WeakPolarHBondContact O-CA 3.35Å; G372-S402 VanDerWaalsContact O-CB 3.28Å; G372-S402 WeakPolarHBondContact O-CB 3.22Å; G372-R403 PolarHBondContact O-N 2.94Å
373	Y	93.8	Very high	93.6	Very high	10 Å²	10	26.9 Å²	26.9	4%	0.039	13%	0.134	C	C	.	.			trans	-110.5	147.4	-176.8	-60.4	-57.1	0	0	0	112.1	F368 N369 E371 M377 E378 E406 L411	F368-Y373 WeakPolarHBondContact CA-O 3.26Å; N369-Y373 PolarHBondContact N-O 3.44Å; N369-Y373 PolarHBondContact OD1-N 3.42Å; N369-Y373 PolarHBondContact OD1-O 2.88Å; E371-Y373 HydrophobicContact CB-CD2 3.59Å; E371-Y373 HydrophobicContact CB-CE2 3.66Å; Y373-M377 HydrophobicContact CD1-CB 4.06Å; Y373-M377 HydrophobicContact CD1-SD 4.02Å; Y373-M377 HydrophobicContact CG-CB 4.3Å; Y373-E378 VanDerWaalsContact CD2-OE1 3.3Å; Y373-E378 WeakPolarHBondContact CD2-OE1 3.43Å; Y373-E406 VanDerWaalsContact CE1-OE2 3.29Å; Y373-E406 WeakPolarHBondContact CE1-OE2 3.13Å; Y373-E406 PolarHBondContact OH-OE2 3.21Å; Y373-L411 HydrophobicContact CD1-CD1 3.73Å; Y373-L411 HydrophobicContact CE1-CD1 3.63Å; Y373-L411 HydrophobicContact CE1-CD2 3.82Å; Y373-L411 HydrophobicContact CE1-CG 4.36Å
374	T	95.5	Very high	93.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.			trans	-86.1	163.8	169.7	68.8	0	0	0	0	110.9	F368 L376 M377 E378 M400	F368-T374 HydrophobicContact CD1-CG2 3.77Å; F368-T374 HydrophobicContact CE1-CG2 3.65Å; F368-T374 HydrophobicContact CZ-CG2 4.35Å; T374-L376 PolarHBondContact O-N 2.95Å; T374-L376 VanDerWaalsContact O-N 3.09Å; T374-M377 HydrophobicContact CG2-CE 4.27Å; T374-M377 HydrophobicContact CG2-SD 4.33Å; T374-M377 WeakPolarHBondContact O-CB 3.03Å; T374-M377 PolarHBondContact O-N 3.09Å; T374-E378 PolarHBondContact O-N 2.87Å; T374-E378 VanDerWaalsContact O-N 3.12Å; T374-M400 HydrophobicContact CG2-SD 3.95Å
375	P	96.1	Very high	93.9	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-47.5	-36.4	171.1	-28.5	29.3	0	0	0	114.6	L343 T344 A347 L365 E367 A379 L391	L343-P375 HydrophobicContact CB-CG 4.33Å; L343-P375 HydrophobicContact CD2-CB 4.23Å; L343-P375 HydrophobicContact CD2-CG 4.01Å; L343-P375 HydrophobicContact CG-CB 4Å; L343-P375 HydrophobicContact CG-CG 3.97Å; T344-P375 WeakPolarHBondContact OG1-CG 3.45Å; A347-P375 HydrophobicContact CB-CB 4.01Å; A347-P375 VanDerWaalsContact CB-O 3.31Å; A347-P375 WeakPolarHBondContact CB-O 3.29Å; L365-P375 WeakPolarHBondContact O-CD 3.33Å; E367-P375 WeakPolarHBondContact O-CD 3.44Å; P375-A379 WeakPolarHBondContact O-CB 3.36Å; P375-A379 PolarHBondContact O-N 3.02Å; P375-A379 VanDerWaalsContact O-N 3.08Å; P375-L391 HydrophobicContact CB-CD1 4.05Å; P375-L391 HydrophobicContact CB-CD2 4.26Å; P375-L391 WeakPolarHBondContact O-CD1 3.23Å
376	L	98.4	Very high	94.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-68.7	-36.6	178.3	177.3	61.4	0	0	0	112.1	T374 S380 V388 L391 V392 A396 T408	T374-L376 PolarHBondContact O-N 2.95Å; T374-L376 VanDerWaalsContact O-N 3.09Å; L376-S380 VanDerWaalsContact O-CB 3.25Å; L376-S380 WeakPolarHBondContact O-CB 3.48Å; L376-S380 PolarHBondContact O-N 3.45Å; L376-S380 VanDerWaalsContact O-N 3.14Å; L376-S380 PolarHBondContact O-OG 3.12Å; L376-V388 HydrophobicContact CD1-CG1 3.96Å; L376-L391 HydrophobicContact CB-CD1 4.33Å; L376-L391 HydrophobicContact CD1-CB 4.15Å; L376-V392 HydrophobicContact CD1-CG2 3.63Å; L376-V392 HydrophobicContact CD2-CG2 4Å; L376-A396 HydrophobicContact CB-CB 4.27Å; L376-A396 HydrophobicContact CD2-CB 3.87Å; L376-T408 HydrophobicContact CD1-CG2 4.37Å; L376-T408 HydrophobicContact CD2-CG2 4.17Å; L376-T408 HydrophobicContact CG-CG2 3.77Å
377	M	97.6	Very high	94.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.4	-47.7	177.9	-68.5	169.4	-170.6	0	0	111	Y373 T374 S380 R381 M400 L411	Y373-M377 HydrophobicContact CD1-CB 4.06Å; Y373-M377 HydrophobicContact CD1-SD 4.02Å; Y373-M377 HydrophobicContact CG-CB 4.3Å; T374-M377 HydrophobicContact CG2-CE 4.27Å; T374-M377 HydrophobicContact CG2-SD 4.33Å; T374-M377 WeakPolarHBondContact O-CB 3.03Å; T374-M377 PolarHBondContact O-N 3.09Å; M377-S380 WeakPolarHBondContact O-CB 3.18Å; M377-S380 PolarHBondContact O-N 2.91Å; M377-S380 VanDerWaalsContact O-N 3.13Å; M377-R381 WeakPolarHBondContact O-CB 3.32Å; M377-R381 PolarHBondContact O-N 3.21Å; M377-M400 HydrophobicContact CE-CB 4.03Å; M377-M400 HydrophobicContact CE-CG 4.18Å; M377-M400 VanDerWaalsContact CE-O 3.32Å; M377-M400 WeakPolarHBondContact CE-O 3.48Å; M377-L411 HydrophobicContact CB-CD1 3.72Å; M377-L411 HydrophobicContact CG-CD1 3.98Å
378	E	95.2	Very high	94.7	Very high	3 Å²	3	25 Å²	25	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-65.9	-44.8	179.2	-59.2	-68.8	-155.5	0	0	111.8	T344 C348 N369 Y373 T374 S380 R381 E382	T344-E378 HydrophobicContact CG2-CG 4.02Å; C348-E378 HydrophobicContact CB-CB 4.4Å; N369-E378 PolarHBondContact ND2-OE1 2.85Å; Y373-E378 VanDerWaalsContact CD2-OE1 3.3Å; Y373-E378 WeakPolarHBondContact CD2-OE1 3.43Å; T374-E378 PolarHBondContact O-N 2.87Å; T374-E378 VanDerWaalsContact O-N 3.12Å; E378-S380 PolarHBondContact O-N 3.01Å; E378-S380 VanDerWaalsContact O-N 3.15Å; E378-R381 PolarHBondContact O-N 3.35Å; E378-R381 VanDerWaalsContact O-N 3.17Å; E378-R381 IonicContact OE1-NH1 3.79Å; E378-R381 PolarHBondContact OE1-NH1 3.28Å; E378-R381 WeakPolarHBondContact OE2-CD 3.45Å; E378-R381 IonicContact OE2-CZ 2.67Å; E378-R381 IonicContact OE2-NE 3.57Å; E378-R381 IonicContact OE2-NH1 2.91Å; E378-R381 PolarHBondContact OE2-NH1 3.44Å; E378-E382 PolarHBondContact O-N 3.49Å
379	A	97.7	Very high	95.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.6	-26.3	173.8	0	0	0	0	0	113.3	A347 P375 G383 H384 V387 V388 L391	A347-A379 HydrophobicContact CB-CB 4.03Å; P375-A379 WeakPolarHBondContact O-CB 3.36Å; P375-A379 PolarHBondContact O-N 3.02Å; P375-A379 VanDerWaalsContact O-N 3.08Å; A379-G383 PolarHBondContact O-N 2.99Å; A379-H384 HydrophobicContact CB-CB 4.45Å; A379-H384 PolarHBondContact O-N 3.31Å; A379-V387 HydrophobicContact CB-CB 4.16Å; A379-V387 HydrophobicContact CB-CG1 4.25Å; A379-V388 VanDerWaalsContact C-CG2 3.43Å; A379-V388 HydrophobicContact CB-CG2 3.78Å; A379-V388 VanDerWaalsContact O-CG2 3.24Å; A379-V388 WeakPolarHBondContact O-CG2 3.47Å; A379-L391 HydrophobicContact CB-CD1 4.19Å
380	S	98.1	Very high	95.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-83	-33.3	177.5	-61.2	0	0	0	0	113	L376 M377 E378 V388 T408	L376-S380 VanDerWaalsContact O-CB 3.25Å; L376-S380 WeakPolarHBondContact O-CB 3.48Å; L376-S380 PolarHBondContact O-N 3.45Å; L376-S380 VanDerWaalsContact O-N 3.14Å; L376-S380 PolarHBondContact O-OG 3.12Å; M377-S380 WeakPolarHBondContact O-CB 3.18Å; M377-S380 PolarHBondContact O-N 2.91Å; M377-S380 VanDerWaalsContact O-N 3.13Å; E378-S380 PolarHBondContact O-N 3.01Å; E378-S380 VanDerWaalsContact O-N 3.15Å; S380-V388 WeakPolarHBondContact OG-CG2 3.29Å; S380-T408 VanDerWaalsContact OG-CG2 3.24Å; S380-T408 WeakPolarHBondContact OG-CG2 3.21Å
381	R	95.9	Very high	96.4	Very high	72 Å²	72	25.1 Å²	25.1	27%	0.272	12%	0.122	S	C	.	.	H	α-helix	trans	-73.3	-38.7	176	177.9	-165.5	176.7	177.6	3.2	112.5	E371 M377 E378 A415 F417	E371-R381 IonicContact OE2-CZ 2.81Å; E371-R381 IonicContact OE2-NH1 2.69Å; E371-R381 PolarHBondContact OE2-NH1 3.08Å; E371-R381 IonicContact OE2-NH2 3.34Å; E371-R381 PolarHBondContact OE2-NH2 3.07Å; M377-R381 WeakPolarHBondContact O-CB 3.32Å; M377-R381 PolarHBondContact O-N 3.21Å; E378-R381 PolarHBondContact O-N 3.35Å; E378-R381 VanDerWaalsContact O-N 3.17Å; E378-R381 IonicContact OE1-NH1 3.79Å; E378-R381 PolarHBondContact OE1-NH1 3.28Å; E378-R381 WeakPolarHBondContact OE2-CD 3.45Å; E378-R381 IonicContact OE2-CZ 2.67Å; E378-R381 IonicContact OE2-NE 3.57Å; E378-R381 IonicContact OE2-NH1 2.91Å; E378-R381 PolarHBondContact OE2-NH1 3.44Å; R381-A415 WeakPolarHBondContact O-CB 3.07Å; R381-F417 VanDerWaalsContact O-CE2 3.31Å; R381-F417 WeakPolarHBondContact O-CE2 3.27Å
382	E	95.8	Very high	97	Very high	73 Å²	73	23.9 Å²	23.9	34%	0.341	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	4.5	179.5	-58.4	-52.1	134.4	0	0	113.3	E378 H384	E378-E382 PolarHBondContact O-N 3.49Å; E382-H384 PolarHBondContact O-N 2.63Å
383	G	96.5	Very high	97.3	Very high	17 Å²	17	28.7 Å²	28.7	18%	0.175	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	9.2	169.7	0	0	0	0	0	116.1	A379 F385 F417	A379-G383 PolarHBondContact O-N 2.99Å; G383-F385 PolarHBondContact O-N 2.87Å; G383-F417 VanDerWaalsContact CA-CD2 3.42Å; G383-F417 VanDerWaalsContact CA-CZ 3.41Å; G383-F417 VanDerWaalsContact N-CE2 3.3Å
384	H	97.8	Very high	97.5	Very high	52 Å²	52	30.9 Å²	30.9	24%	0.241	16%	0.157	C	C	.	.			trans	-77.5	63	-173.9	-64.2	-48.2	0	0	0	113.2	A347 C348 G350 A379 E382 A386 V387 V388	A347-H384 PolarHBondContact O-CD2 2.8Å; A347-H384 VanDerWaalsContact O-CD2 3.31Å; C348-H384 PolarHBondContact O-CD2 3.47Å; C348-H384 PolarHBondContact O-NE2 2.89Å; C348-H384 VanDerWaalsContact O-NE2 3.14Å; G350-H384 VanDerWaalsContact CA-CD2 3.4Å; G350-H384 WeakPolarHBondContact CA-CD2 3.24Å; G350-H384 PolarHBondContact N-CD2 2.91Å; G350-H384 VanDerWaalsContact N-CD2 3.33Å; G350-H384 PolarHBondContact N-NE2 3.27Å; A379-H384 HydrophobicContact CB-CB 4.45Å; A379-H384 PolarHBondContact O-N 3.31Å; E382-H384 PolarHBondContact O-N 2.63Å; H384-A386 PolarHBondContact O-N 3.36Å; H384-V387 HydrophobicContact CB-CB 4.38Å; H384-V387 HydrophobicContact CB-CG2 4.25Å; H384-V387 WeakPolarHBondContact O-CA 3.44Å; H384-V387 PolarHBondContact O-N 3.27Å; H384-V388 PolarHBondContact O-N 3.38Å
385	F	98.3	Very high	97.6	Very high	68 Å²	68	33.6 Å²	33.6	30%	0.298	19%	0.185	S	C	.	.	H	α-helix	trans	-46.5	-36.7	-176.1	179.1	-103.2	0	0	0	114.9	G383 R389 N419 I420 Y423	G383-F385 PolarHBondContact O-N 2.87Å; F385-R389 HydrophobicContact CD1-CG 4.49Å; F385-R389 HydrophobicContact CE1-CG 4.14Å; F385-R389 HydrophobicContact CE2-CG 4.35Å; F385-R389 HydrophobicContact CZ-CG 4.06Å; F385-R389 WeakPolarHBondContact O-CB 3.11Å; F385-R389 WeakPolarHBondContact O-CG 3.34Å; F385-R389 PolarHBondContact O-N 3.28Å; F385-N419 HydrophobicContact CD2-CB 4.38Å; F385-N419 HydrophobicContact CE2-CB 4.45Å; F385-N419 WeakPolarHBondContact CE2-O 3.47Å; F385-I420 HydrophobicContact CB-CD1 4.34Å; F385-I420 HydrophobicContact CB-CG1 4.03Å; F385-I420 HydrophobicContact CD2-CG1 3.76Å; F385-I420 HydrophobicContact CG-CG1 4.41Å; F385-Y423 HydrophobicContact CE2-CG 4.16Å
386	A	98.5	Very high	97.7	Very high	50 Å²	50	33.9 Å²	33.9	41%	0.413	19%	0.188	S	C	.	.	H	α-helix	trans	-66.7	-36.8	177.3	0	0	0	0	0	112.7	L352 H384 L390	L352-A386 HydrophobicContact CD1-CB 4.06Å; L352-A386 WeakPolarHBondContact CD1-O 3.26Å; L352-A386 HydrophobicContact CD2-CB 4.05Å; H384-A386 PolarHBondContact O-N 3.36Å; A386-L390 PolarHBondContact O-N 3.42Å; A386-L390 VanDerWaalsContact O-N 3.14Å
387	V	98.5	Very high	97.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-78.1	-40.1	176.7	-168.7	0	0	0	0	110.9	A347 L352 A355 A379 H384 R389 L390 L391	A347-V387 HydrophobicContact CB-CG1 4.33Å; L352-V387 HydrophobicContact CB-CG2 4.33Å; L352-V387 HydrophobicContact CD1-CG2 4.3Å; A355-V387 HydrophobicContact CB-CG1 3.99Å; A379-V387 HydrophobicContact CB-CB 4.16Å; A379-V387 HydrophobicContact CB-CG1 4.25Å; H384-V387 HydrophobicContact CB-CB 4.38Å; H384-V387 HydrophobicContact CB-CG2 4.25Å; H384-V387 WeakPolarHBondContact O-CA 3.44Å; H384-V387 PolarHBondContact O-N 3.27Å; V387-R389 VanDerWaalsContact C-N 3.27Å; V387-R389 PolarHBondContact O-N 2.79Å; V387-L390 WeakPolarHBondContact O-CB 3.41Å; V387-L390 PolarHBondContact O-N 3.03Å; V387-L390 VanDerWaalsContact O-N 3.1Å; V387-L391 HydrophobicContact CG1-CD1 3.93Å; V387-L391 HydrophobicContact CG1-CG 4.2Å; V387-L391 WeakPolarHBondContact O-CG 3.45Å; V387-L391 PolarHBondContact O-N 3.37Å
388	V	98.7	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-52.7	-47.8	169.6	175.8	0	0	0	0	110.7	L376 A379 S380 H384 L390 L391 V392 I420 Y423 L424	L376-V388 HydrophobicContact CD1-CG1 3.96Å; A379-V388 VanDerWaalsContact C-CG2 3.43Å; A379-V388 HydrophobicContact CB-CG2 3.78Å; A379-V388 VanDerWaalsContact O-CG2 3.24Å; A379-V388 WeakPolarHBondContact O-CG2 3.47Å; S380-V388 WeakPolarHBondContact OG-CG2 3.29Å; H384-V388 PolarHBondContact O-N 3.38Å; V388-L390 PolarHBondContact O-N 3.05Å; V388-L391 PolarHBondContact O-N 2.85Å; V388-V392 WeakPolarHBondContact O-CG2 3.32Å; V388-V392 PolarHBondContact O-N 3.38Å; V388-V392 VanDerWaalsContact O-N 3.09Å; V388-I420 HydrophobicContact CG1-CG2 4.17Å; V388-I420 HydrophobicContact CG2-CD1 4.02Å; V388-I420 HydrophobicContact CG2-CG1 4.23Å; V388-I420 HydrophobicContact CG2-CG2 4.45Å; V388-Y423 HydrophobicContact CG1-CD1 4.2Å; V388-Y423 HydrophobicContact CG1-CE1 4.42Å; V388-L424 HydrophobicContact CG1-CD2 4.17Å
389	R	98.6	Very high	97.8	Very high	103 Å²	103	40 Å²	40	39%	0.389	22%	0.221	S	C	.	.	H	α-helix	trans	-57.9	-49.1	175.5	-81.8	-158.6	58.2	-154.5	-14.8	112.2	F385 V387 E393 Y423	F385-R389 HydrophobicContact CD1-CG 4.49Å; F385-R389 HydrophobicContact CE1-CG 4.14Å; F385-R389 HydrophobicContact CE2-CG 4.35Å; F385-R389 HydrophobicContact CZ-CG 4.06Å; F385-R389 WeakPolarHBondContact O-CB 3.11Å; F385-R389 WeakPolarHBondContact O-CG 3.34Å; F385-R389 PolarHBondContact O-N 3.28Å; V387-R389 VanDerWaalsContact C-N 3.27Å; V387-R389 PolarHBondContact O-N 2.79Å; R389-E393 IonicContact CZ-OE1 2.69Å; R389-E393 VanDerWaalsContact CZ-OE1 3.22Å; R389-E393 IonicContact NE-OE1 2.7Å; R389-E393 PolarHBondContact NE-OE1 3.21Å; R389-E393 IonicContact NH2-OE1 3.79Å; R389-E393 PolarHBondContact NH2-OE1 3.29Å; R389-E393 IonicContact NH2-OE2 2.72Å; R389-E393 PolarHBondContact NH2-OE2 2.95Å; R389-E393 WeakPolarHBondContact O-CB 3.4Å; R389-E393 VanDerWaalsContact O-CG 3.24Å; R389-E393 WeakPolarHBondContact O-CG 3.38Å; R389-E393 PolarHBondContact O-N 2.93Å; R389-Y423 HydrophobicContact CB-CE1 4.42Å; R389-Y423 HydrophobicContact CG-CD1 4.25Å; R389-Y423 HydrophobicContact CG-CD2 4.18Å; R389-Y423 HydrophobicContact CG-CE1 3.87Å; R389-Y423 HydrophobicContact CG-CE2 3.8Å; R389-Y423 HydrophobicContact CG-CG 4.39Å; R389-Y423 PolarHBondContact O-OH 3.21Å
390	L	98.5	Very high	97.7	Very high	31 Å²	31	42 Å²	42	16%	0.162	23%	0.231	C	C	.	.	H	α-helix	trans	-59.3	-46.1	179.4	175.7	66.4	0	0	0	112.4	L352 A355 K356 L359 A386 V387 V388 E393 S394	L352-L390 HydrophobicContact CD1-CB 4.16Å; L352-L390 HydrophobicContact CD1-CD2 3.96Å; A355-L390 HydrophobicContact CB-CD2 3.78Å; K356-L390 HydrophobicContact CB-CD2 4.38Å; K356-L390 HydrophobicContact CG-CD1 3.93Å; K356-L390 HydrophobicContact CG-CD2 3.59Å; K356-L390 HydrophobicContact CG-CG 4.43Å; L359-L390 HydrophobicContact CD1-CD1 4.26Å; L359-L390 HydrophobicContact CD1-CD2 3.84Å; L359-L390 HydrophobicContact CD1-CG 3.72Å; A386-L390 PolarHBondContact O-N 3.42Å; A386-L390 VanDerWaalsContact O-N 3.14Å; V387-L390 WeakPolarHBondContact O-CB 3.41Å; V387-L390 PolarHBondContact O-N 3.03Å; V387-L390 VanDerWaalsContact O-N 3.1Å; V388-L390 PolarHBondContact O-N 3.05Å; L390-E393 CarbonylContact O-C 3.53Å; L390-E393 PolarHBondContact O-N 3.33Å; L390-S394 VanDerWaalsContact O-CB 3.3Å; L390-S394 WeakPolarHBondContact O-CB 3.5Å; L390-S394 PolarHBondContact O-N 2.97Å; L390-S394 PolarHBondContact O-OG 2.9Å
391	L	98.6	Very high	97.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-46.4	-178.4	-70.1	167.6	0	0	0	111.4	L343 A347 L359 L365 P375 L376 A379 V387 V388 S394 G395 A396	L343-L391 HydrophobicContact CD1-CD2 4.21Å; L343-L391 HydrophobicContact CD2-CD2 3.99Å; L343-L391 HydrophobicContact CG-CD2 4.3Å; A347-L391 HydrophobicContact CB-CD1 4.4Å; L359-L391 HydrophobicContact CD1-CD2 4.21Å; L359-L391 HydrophobicContact CD2-CD2 4.4Å; L365-L391 HydrophobicContact CD2-CD2 3.66Å; P375-L391 HydrophobicContact CB-CD1 4.05Å; P375-L391 HydrophobicContact CB-CD2 4.26Å; P375-L391 WeakPolarHBondContact O-CD1 3.23Å; L376-L391 HydrophobicContact CB-CD1 4.33Å; L376-L391 HydrophobicContact CD1-CB 4.15Å; A379-L391 HydrophobicContact CB-CD1 4.19Å; V387-L391 HydrophobicContact CG1-CD1 3.93Å; V387-L391 HydrophobicContact CG1-CG 4.2Å; V387-L391 WeakPolarHBondContact O-CG 3.45Å; V387-L391 PolarHBondContact O-N 3.37Å; V388-L391 PolarHBondContact O-N 2.85Å; L391-S394 CarbonylContact O-C 3.59Å; L391-S394 PolarHBondContact O-N 2.9Å; L391-S394 VanDerWaalsContact O-N 3.12Å; L391-G395 PolarHBondContact O-N 2.87Å; L391-G395 VanDerWaalsContact O-N 3.15Å; L391-A396 HydrophobicContact CB-CB 4.23Å; L391-A396 WeakPolarHBondContact O-CB 3.39Å; L391-A396 PolarHBondContact O-N 3.13Å
392	V	98.4	Very high	97.6	Very high	19 Å²	19	41 Å²	41	12%	0.115	23%	0.231	C	C	.	.	H	α-helix	trans	-67.3	-36.5	175.7	178.7	0	0	0	0	111.8	L376 V388 S394 G395 V398 Y423 L424 K427	L376-V392 HydrophobicContact CD1-CG2 3.63Å; L376-V392 HydrophobicContact CD2-CG2 4Å; V388-V392 WeakPolarHBondContact O-CG2 3.32Å; V388-V392 PolarHBondContact O-N 3.38Å; V388-V392 VanDerWaalsContact O-N 3.09Å; V392-S394 PolarHBondContact O-N 3.15Å; V392-G395 PolarHBondContact O-N 2.99Å; V392-V398 HydrophobicContact CB-CG2 4.5Å; V392-V398 HydrophobicContact CG1-CG2 3.82Å; V392-V398 HydrophobicContact CG2-CG2 3.87Å; V392-Y423 HydrophobicContact CB-CE1 3.98Å; V392-Y423 HydrophobicContact CG1-CE1 4.22Å; V392-Y423 HydrophobicContact CG2-CE1 4.17Å; V392-L424 HydrophobicContact CG2-CD2 4.38Å; V392-K427 HydrophobicContact CG1-CB 4.03Å; V392-K427 HydrophobicContact CG1-CD 3.89Å; V392-K427 HydrophobicContact CG1-CG 3.83Å
393	E	97.7	Very high	97.4	Very high	102 Å²	102	44.8 Å²	44.8	48%	0.477	24%	0.242	S	C	.	.	H	α-helix	trans	-71.4	-16.5	173.7	-73.1	164.3	-153.2	0	0	112.8	R389 L390 Y423	R389-E393 IonicContact CZ-OE1 2.69Å; R389-E393 VanDerWaalsContact CZ-OE1 3.22Å; R389-E393 IonicContact NE-OE1 2.7Å; R389-E393 PolarHBondContact NE-OE1 3.21Å; R389-E393 IonicContact NH2-OE1 3.79Å; R389-E393 PolarHBondContact NH2-OE1 3.29Å; R389-E393 IonicContact NH2-OE2 2.72Å; R389-E393 PolarHBondContact NH2-OE2 2.95Å; R389-E393 WeakPolarHBondContact O-CB 3.4Å; R389-E393 VanDerWaalsContact O-CG 3.24Å; R389-E393 WeakPolarHBondContact O-CG 3.38Å; R389-E393 PolarHBondContact O-N 2.93Å; L390-E393 CarbonylContact O-C 3.53Å; L390-E393 PolarHBondContact O-N 3.33Å; E393-Y423 PolarHBondContact OE1-OH 2.87Å; E393-Y423 VanDerWaalsContact OE1-OH 3.05Å
394	S	97.7	Very high	97.1	Very high	55 Å²	55	51.2 Å²	51.2	39%	0.385	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.6	172.5	-54.4	0	0	0	0	113.7	L390 L391 V392	L390-S394 VanDerWaalsContact O-CB 3.3Å; L390-S394 WeakPolarHBondContact O-CB 3.5Å; L390-S394 PolarHBondContact O-N 2.97Å; L390-S394 PolarHBondContact O-OG 2.9Å; L391-S394 CarbonylContact O-C 3.59Å; L391-S394 PolarHBondContact O-N 2.9Å; L391-S394 VanDerWaalsContact O-N 3.12Å; V392-S394 PolarHBondContact O-N 3.15Å
395	G	97.2	Very high	97	Very high	57 Å²	57	49.4 Å²	49.4	59%	0.588	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.6	16.7	173.4	0	0	0	0	0	116.6	L391 V392	L391-G395 PolarHBondContact O-N 2.87Å; L391-G395 VanDerWaalsContact O-N 3.15Å; V392-G395 PolarHBondContact O-N 2.99Å
396	A	97.9	Very high	96.9	Very high	7 Å²	7	48 Å²	48	6%	0.058	25%	0.251	C	S	.	.			trans	-62	141.5	176.1	0	0	0	0	0	112.7	L365 E366 L376 L391 V398	L365-A396 HydrophobicContact CD2-CB 4.25Å; E366-A396 WeakPolarHBondContact OE1-CA 3.49Å; L376-A396 HydrophobicContact CB-CB 4.27Å; L376-A396 HydrophobicContact CD2-CB 3.87Å; L391-A396 HydrophobicContact CB-CB 4.23Å; L391-A396 WeakPolarHBondContact O-CB 3.39Å; L391-A396 PolarHBondContact O-N 3.13Å; A396-V398 PolarHBondContact O-N 2.91Å; A396-V398 VanDerWaalsContact O-N 3.11Å
397	D	97.6	Very high	96.8	Very high	76 Å²	76	45.8 Å²	45.8	41%	0.406	23%	0.233	S	C	.	.			trans	-76.4	100.7	179.2	-174	4.7	0	0	0	111.8	E366 N399 M400	E366-D397 PolarHBondContact OE1-N 3.19Å; D397-N399 PolarHBondContact O-N 3.11Å; D397-N399 PolarHBondContact OD1-N 2.97Å; D397-M400 HydrophobicContact CB-CB 4.26Å; D397-M400 HydrophobicContact CB-CE 4.25Å; D397-M400 PolarHBondContact O-N 3.49Å
398	V	97.8	Very high	96.8	Very high	12 Å²	12	45.7 Å²	45.7	7%	0.073	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-26.5	175.1	177.7	0	0	0	0	113.1	V392 A396 L424 K427 A429	V392-V398 HydrophobicContact CB-CG2 4.5Å; V392-V398 HydrophobicContact CG1-CG2 3.82Å; V392-V398 HydrophobicContact CG2-CG2 3.87Å; A396-V398 PolarHBondContact O-N 2.91Å; A396-V398 VanDerWaalsContact O-N 3.11Å; V398-L424 HydrophobicContact CG1-CB 4.43Å; V398-L424 HydrophobicContact CG1-CD2 4.12Å; V398-K427 HydrophobicContact CG2-CB 4.37Å; V398-A429 HydrophobicContact CG1-CB 3.55Å
399	N	97.7	Very high	96.8	Very high	45 Å²	45	45.8 Å²	45.8	24%	0.241	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	8.1	-173.8	-68.1	-63	0	0	0	114.8	D397 G428 A429 D430 R433	D397-N399 PolarHBondContact O-N 3.11Å; D397-N399 PolarHBondContact OD1-N 2.97Å; N399-G428 PolarHBondContact ND2-O 2.94Å; N399-A429 WeakPolarHBondContact OD1-CA 3.31Å; N399-D430 PolarHBondContact OD1-N 3.05Å; N399-R433 PolarHBondContact O-NE 3.15Å; N399-R433 VanDerWaalsContact O-NE 3.13Å; N399-R433 PolarHBondContact O-NH2 3.15Å
400	M	96.5	Very high	96.7	Very high	42 Å²	42	41 Å²	41	21%	0.207	22%	0.215	C	C	.	.			trans	-61.9	149.8	168.3	-166.8	163.8	-56.9	0	0	110.3	E366 F368 T374 M377 D397	E366-M400 HydrophobicContact CB-CE 3.77Å; E366-M400 HydrophobicContact CB-SD 4.12Å; E366-M400 HydrophobicContact CG-CE 3.71Å; E366-M400 WeakPolarHBondContact OE2-CE 3.46Å; F368-M400 HydrophobicContact CE1-SD 4.28Å; F368-M400 HydrophobicContact CE2-SD 4.28Å; F368-M400 HydrophobicContact CZ-CG 4.08Å; F368-M400 HydrophobicContact CZ-SD 3.69Å; T374-M400 HydrophobicContact CG2-SD 3.95Å; M377-M400 HydrophobicContact CE-CB 4.03Å; M377-M400 HydrophobicContact CE-CG 4.18Å; M377-M400 VanDerWaalsContact CE-O 3.32Å; M377-M400 WeakPolarHBondContact CE-O 3.48Å; D397-M400 HydrophobicContact CB-CB 4.26Å; D397-M400 HydrophobicContact CB-CE 4.25Å; D397-M400 PolarHBondContact O-N 3.49Å
401	L	97.1	Very high	96.7	Very high	43 Å²	43	40.6 Å²	40.6	23%	0.225	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-108.2	147	175	-63.5	-178.4	0	0	0	110.2	F368 E406 R433	F368-L401 WeakPolarHBondContact CE1-O 3.36Å; F368-L401 VanDerWaalsContact CZ-O 3.27Å; F368-L401 WeakPolarHBondContact CZ-O 3.36Å; L401-E406 CarbonylContact C-O 3.58Å; L401-E406 VanDerWaalsContact CA-O 3.29Å; L401-E406 WeakPolarHBondContact CA-O 3.35Å; L401-R433 HydrophobicContact CD2-CG 3.96Å
402	S	94.6	Very high	96.7	Very high	7 Å²	7	40.5 Å²	40.5	5%	0.049	21%	0.212	C	C	.	.			trans	-59.8	167.4	168.9	80.8	0	0	0	0	111.1	G372 R404 G405 E406	G372-S402 CarbonylContact O-C 3.47Å; G372-S402 WeakPolarHBondContact O-CA 3.35Å; G372-S402 VanDerWaalsContact O-CB 3.28Å; G372-S402 WeakPolarHBondContact O-CB 3.22Å; S402-R404 PolarHBondContact O-N 3.37Å; S402-R404 PolarHBondContact OG-N 3.19Å; S402-G405 PolarHBondContact O-N 3.2Å; S402-G405 PolarHBondContact OG-N 2.83Å; S402-E406 VanDerWaalsContact CB-OE2 3.29Å; S402-E406 WeakPolarHBondContact CB-OE2 3.39Å; S402-E406 PolarHBondContact N-O 3.13Å; S402-E406 PolarHBondContact OG-N 2.94Å; S402-E406 PolarHBondContact OG-OE2 2.93Å
403	R	91.2	Very high	96.7	Very high	152 Å²	152	39.6 Å²	39.6	57%	0.574	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-13	170.6	-64.2	-174.2	-174.9	136.2	5.5	114	F368 N369 G372	F368-R403 VanDerWaalsContact CB-NH2 3.27Å; F368-R403 HydrophobicContact CD2-CG 4.49Å; F368-R403 HydrophobicContact CG-CG 4.31Å; F368-R403 PolarHBondContact O-NH2 2.97Å; N369-R403 VanDerWaalsContact O-CZ 3.29Å; N369-R403 PolarHBondContact O-NH1 3.22Å; N369-R403 PolarHBondContact O-NH2 3.2Å; G372-R403 PolarHBondContact O-N 2.94Å
404	R	91.2	Very high	96.6	Very high	152 Å²	152	35.7 Å²	35.7	57%	0.574	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-9.5	176.9	-47.6	173.6	-178.9	-165.9	-0.6	113	E371 S402 E406	E371-R404 PolarHBondContact O-NE 2.73Å; S402-R404 PolarHBondContact O-N 3.37Å; S402-R404 PolarHBondContact OG-N 3.19Å; R404-E406 WeakPolarHBondContact CB-OE2 3.38Å; R404-E406 WeakPolarHBondContact CD-OE1 3.23Å; R404-E406 WeakPolarHBondContact CD-OE2 3.27Å
405	G	94.5	Very high	96.5	Very high	15 Å²	15	34.7 Å²	34.7	16%	0.155	19%	0.189	C	C	.	.	S	Bend	trans	93.7	10.3	-177.2	0	0	0	0	0	115.1	S402 G434 A435	S402-G405 PolarHBondContact O-N 3.2Å; S402-G405 PolarHBondContact OG-N 2.83Å; G405-G434 CarbonylContact O-C 3.57Å; G405-G434 VanDerWaalsContact O-CA 3.28Å; G405-G434 WeakPolarHBondContact O-CA 3.24Å; G405-A435 PolarHBondContact O-N 3.01Å
406	E	95.6	Very high	96.5	Very high	38 Å²	38	34.9 Å²	34.9	18%	0.178	18%	0.176	C	C	.	.			trans	-76.4	142.2	173.7	-57.5	125.2	160.6	0	0	110.1	Y373 L401 S402 R404 L411	Y373-E406 VanDerWaalsContact CE1-OE2 3.29Å; Y373-E406 WeakPolarHBondContact CE1-OE2 3.13Å; Y373-E406 PolarHBondContact OH-OE2 3.21Å; L401-E406 CarbonylContact C-O 3.58Å; L401-E406 VanDerWaalsContact CA-O 3.29Å; L401-E406 WeakPolarHBondContact CA-O 3.35Å; S402-E406 VanDerWaalsContact CB-OE2 3.29Å; S402-E406 WeakPolarHBondContact CB-OE2 3.39Å; S402-E406 PolarHBondContact N-O 3.13Å; S402-E406 PolarHBondContact OG-N 2.94Å; S402-E406 PolarHBondContact OG-OE2 2.93Å; R404-E406 WeakPolarHBondContact CB-OE2 3.38Å; R404-E406 WeakPolarHBondContact CD-OE1 3.23Å; R404-E406 WeakPolarHBondContact CD-OE2 3.27Å; E406-L411 HydrophobicContact CB-CD2 4.06Å; E406-L411 HydrophobicContact CB-CG 4.17Å; E406-L411 HydrophobicContact CG-CD2 4.35Å
407	S	97.5	Very high	96.5	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.021	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-94.3	155.5	170.4	65	0	0	0	0	111.7	L409 A410 L411 R433	S407-L409 PolarHBondContact O-N 3.32Å; S407-L409 VanDerWaalsContact O-N 3.15Å; S407-A410 PolarHBondContact O-N 3.41Å; S407-A410 WeakPolarHBondContact OG-CB 3.41Å; S407-A410 PolarHBondContact OG-N 3.05Å; S407-L411 WeakPolarHBondContact O-CG 3.37Å; S407-L411 PolarHBondContact O-N 3.19Å; S407-R433 WeakPolarHBondContact CB-O 3.4Å; S407-R433 PolarHBondContact OG-O 3.19Å
408	T	98.2	Very high	96.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-49.7	-38.3	171.3	-51	0	0	0	0	112.4	L376 S380 A412 L424	L376-T408 HydrophobicContact CD1-CG2 4.37Å; L376-T408 HydrophobicContact CD2-CG2 4.17Å; L376-T408 HydrophobicContact CG-CG2 3.77Å; S380-T408 VanDerWaalsContact OG-CG2 3.24Å; S380-T408 WeakPolarHBondContact OG-CG2 3.21Å; T408-A412 WeakPolarHBondContact O-CB 3.46Å; T408-A412 PolarHBondContact O-N 2.96Å; T408-A412 VanDerWaalsContact O-N 3.11Å; T408-L424 HydrophobicContact CG2-CD1 3.78Å; T408-L424 HydrophobicContact CG2-CD2 4.02Å
409	L	98.4	Very high	96.5	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-41.5	177.6	-170.9	73.2	0	0	0	112.2	S407 A413 V421 L424 L425 A429 I431 A438	S407-L409 PolarHBondContact O-N 3.32Å; S407-L409 VanDerWaalsContact O-N 3.15Å; L409-A413 VanDerWaalsContact O-CB 3.29Å; L409-A413 WeakPolarHBondContact O-CB 3.17Å; L409-A413 PolarHBondContact O-N 3.49Å; L409-V421 HydrophobicContact CD1-CB 4.38Å; L409-V421 HydrophobicContact CD1-CG1 3.97Å; L409-L424 HydrophobicContact CD1-CB 3.85Å; L409-L424 HydrophobicContact CD1-CD1 4.24Å; L409-L425 HydrophobicContact CD1-CD2 4.24Å; L409-L425 HydrophobicContact CD1-CG 3.95Å; L409-L425 HydrophobicContact CD2-CD2 3.86Å; L409-L425 HydrophobicContact CD2-CG 4.45Å; L409-A429 HydrophobicContact CB-CB 4.32Å; L409-A429 HydrophobicContact CD1-CB 4.14Å; L409-A429 HydrophobicContact CD2-CB 4.18Å; L409-A429 HydrophobicContact CG-CB 4.45Å; L409-I431 HydrophobicContact CD2-CB 4.41Å; L409-I431 HydrophobicContact CD2-CG1 4.3Å; L409-A438 HydrophobicContact CD2-CB 3.92Å; L409-A438 HydrophobicContact CG-CB 3.82Å
410	A	97.8	Very high	96.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-43.1	177.8	0	0	0	0	0	112	S407 A413 G414 E441	S407-A410 PolarHBondContact O-N 3.41Å; S407-A410 WeakPolarHBondContact OG-CB 3.41Å; S407-A410 PolarHBondContact OG-N 3.05Å; A410-A413 PolarHBondContact O-N 2.84Å; A410-A413 VanDerWaalsContact O-N 3.14Å; A410-G414 PolarHBondContact O-N 3.32Å; A410-E441 HydrophobicContact CB-CG 3.98Å
411	L	97.2	Very high	96.6	Very high	23 Å²	23	38.4 Å²	38.4	12%	0.12	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-47.4	175.1	-64.3	169.6	0	0	0	111.7	Y373 M377 E406 S407 A413 G414 A415	Y373-L411 HydrophobicContact CD1-CD1 3.73Å; Y373-L411 HydrophobicContact CE1-CD1 3.63Å; Y373-L411 HydrophobicContact CE1-CD2 3.82Å; Y373-L411 HydrophobicContact CE1-CG 4.36Å; M377-L411 HydrophobicContact CB-CD1 3.72Å; M377-L411 HydrophobicContact CG-CD1 3.98Å; E406-L411 HydrophobicContact CB-CD2 4.06Å; E406-L411 HydrophobicContact CB-CG 4.17Å; E406-L411 HydrophobicContact CG-CD2 4.35Å; S407-L411 WeakPolarHBondContact O-CG 3.37Å; S407-L411 PolarHBondContact O-N 3.19Å; L411-A413 PolarHBondContact O-N 2.69Å; L411-G414 PolarHBondContact O-N 3.23Å; L411-A415 WeakPolarHBondContact O-CB 3.08Å; L411-A415 PolarHBondContact O-N 3.33Å
412	A	98.2	Very high	96.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-30.7	175.5	0	0	0	0	0	113.2	T408 N416 F417 I420 V421 L424	T408-A412 WeakPolarHBondContact O-CB 3.46Å; T408-A412 PolarHBondContact O-N 2.96Å; T408-A412 VanDerWaalsContact O-N 3.11Å; A412-N416 PolarHBondContact O-N 3.49Å; A412-F417 PolarHBondContact O-N 3.38Å; A412-I420 HydrophobicContact CB-CB 4.26Å; A412-I420 HydrophobicContact CB-CG2 3.56Å; A412-V421 HydrophobicContact CB-CG2 3.8Å; A412-L424 HydrophobicContact CB-CD1 4.16Å
413	A	98.2	Very high	96.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-78.5	-38.2	179	0	0	0	0	0	113.1	L409 A410 L411 A415 N416 V421 A438 A442 N447 T450 L454	L409-A413 VanDerWaalsContact O-CB 3.29Å; L409-A413 WeakPolarHBondContact O-CB 3.17Å; L409-A413 PolarHBondContact O-N 3.49Å; A410-A413 PolarHBondContact O-N 2.84Å; A410-A413 VanDerWaalsContact O-N 3.14Å; L411-A413 PolarHBondContact O-N 2.69Å; A413-A415 VanDerWaalsContact C-N 3.35Å; A413-N416 PolarHBondContact O-N 3.33Å; A413-V421 HydrophobicContact CB-CG2 4.16Å; A413-A438 HydrophobicContact CB-CB 3.81Å; A413-A438 WeakPolarHBondContact CB-O 3.49Å; A413-A442 HydrophobicContact CB-CB 4.36Å; A413-N447 PolarHBondContact O-ND2 3.28Å; A413-T450 HydrophobicContact CB-CG2 4.14Å; A413-L454 HydrophobicContact CB-CD1 4.01Å
414	G	96.4	Very high	97.2	Very high	20 Å²	20	31.2 Å²	31.2	21%	0.206	16%	0.158	C	C	.	.	H	α-helix	trans	-66.7	-33.5	170.6	0	0	0	0	0	112.8	A410 L411 N416 N447	A410-G414 PolarHBondContact O-N 3.32Å; L411-G414 PolarHBondContact O-N 3.23Å; G414-N416 VanDerWaalsContact C-N 3.29Å; G414-N416 PolarHBondContact O-N 3.43Å; G414-N447 VanDerWaalsContact C-ND2 3.29Å; G414-N447 PolarHBondContact O-ND2 3.07Å
415	A	95.8	Very high	97.5	Very high	34 Å²	34	25.7 Å²	25.7	28%	0.281	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.9	173.6	0	0	0	0	0	114.6	R381 L411 A413 F417	R381-A415 WeakPolarHBondContact O-CB 3.07Å; L411-A415 WeakPolarHBondContact O-CB 3.08Å; L411-A415 PolarHBondContact O-N 3.33Å; A413-A415 VanDerWaalsContact C-N 3.35Å; A415-F417 VanDerWaalsContact C-N 3.25Å; A415-F417 HydrophobicContact CB-CD2 3.52Å; A415-F417 HydrophobicContact CB-CE2 3.62Å; A415-F417 WeakPolarHBondContact O-CD2 3.22Å; A415-F417 WeakPolarHBondContact O-CE2 3.38Å; A415-F417 PolarHBondContact O-N 3.11Å
416	N	97	Very high	97.7	Very high	60 Å²	60	29 Å²	29	32%	0.321	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	20.3	178.8	-151.4	4.5	0	0	0	116.4	A412 A413 G414 R418 N447 T450	A412-N416 PolarHBondContact O-N 3.49Å; A413-N416 PolarHBondContact O-N 3.33Å; G414-N416 VanDerWaalsContact C-N 3.29Å; G414-N416 PolarHBondContact O-N 3.43Å; N416-R418 VanDerWaalsContact C-N 3.26Å; N416-R418 PolarHBondContact O-N 3.3Å; N416-N447 HydrophobicContact CB-CB 4.05Å; N416-N447 VanDerWaalsContact CB-CG 3.44Å; N416-N447 WeakPolarHBondContact CB-OD1 3.39Å; N416-N447 PolarHBondContact N-ND2 3.01Å; N416-N447 PolarHBondContact ND2-OD1 3.16Å; N416-T450 WeakPolarHBondContact OD1-CB 3.46Å; N416-T450 PolarHBondContact OD1-OG1 3.29Å
417	F	97.6	Very high	97.8	Very high	65 Å²	65	31.5 Å²	31.5	29%	0.285	17%	0.171	S	C	.	.			trans	-82.2	68.3	-179.3	-66.9	-60.9	0	0	0	112.2	R381 G383 A412 A415 N419 I420 V421	R381-F417 VanDerWaalsContact O-CE2 3.31Å; R381-F417 WeakPolarHBondContact O-CE2 3.27Å; G383-F417 VanDerWaalsContact CA-CD2 3.42Å; G383-F417 VanDerWaalsContact CA-CZ 3.41Å; G383-F417 VanDerWaalsContact N-CE2 3.3Å; A412-F417 PolarHBondContact O-N 3.38Å; A415-F417 VanDerWaalsContact C-N 3.25Å; A415-F417 HydrophobicContact CB-CD2 3.52Å; A415-F417 HydrophobicContact CB-CE2 3.62Å; A415-F417 WeakPolarHBondContact O-CD2 3.22Å; A415-F417 WeakPolarHBondContact O-CE2 3.38Å; A415-F417 PolarHBondContact O-N 3.11Å; F417-N419 PolarHBondContact O-N 3.09Å; F417-I420 HydrophobicContact CB-CB 4.01Å; F417-I420 HydrophobicContact CB-CD1 3.82Å; F417-I420 HydrophobicContact CB-CG1 4.25Å; F417-I420 HydrophobicContact CG-CD1 4.17Å; F417-I420 WeakPolarHBondContact O-CA 3.4Å; F417-I420 WeakPolarHBondContact O-CB 3.17Å; F417-I420 PolarHBondContact O-N 2.6Å; F417-V421 PolarHBondContact O-N 2.84Å
418	R	97	Very high	97.8	Very high	117 Å²	117	33.7 Å²	33.7	44%	0.442	19%	0.193	S	C	.	.	H	α-helix	trans	-50.9	-31.2	-178.5	-160.2	-179.4	62.6	74.7	2	114.4	N416 A422 E449 T450 Y453	N416-R418 VanDerWaalsContact C-N 3.26Å; N416-R418 PolarHBondContact O-N 3.3Å; R418-A422 VanDerWaalsContact O-CB 3.27Å; R418-A422 WeakPolarHBondContact O-CB 3.49Å; R418-A422 PolarHBondContact O-N 3.1Å; R418-E449 WeakPolarHBondContact CD-O 3.41Å; R418-T450 WeakPolarHBondContact CB-OG1 3.37Å; R418-Y453 HydrophobicContact CG-CD1 3.96Å; R418-Y453 HydrophobicContact CG-CG 4.05Å
419	N	97.8	Very high	97.8	Very high	74 Å²	74	34.2 Å²	34.2	40%	0.396	20%	0.198	S	C	.	.	H	α-helix	trans	-69.4	-39.2	174.5	60.5	-36.8	0	0	0	112.8	F385 F417 Y423	F385-N419 HydrophobicContact CD2-CB 4.38Å; F385-N419 HydrophobicContact CE2-CB 4.45Å; F385-N419 WeakPolarHBondContact CE2-O 3.47Å; F417-N419 PolarHBondContact O-N 3.09Å; N419-Y423 WeakPolarHBondContact O-CB 3.48Å; N419-Y423 PolarHBondContact O-N 3.47Å
420	I	98.6	Very high	97.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.8	-48.3	172.3	-72.6	164.6	0	0	0	109.4	F385 V388 A412 F417 A422 Y423 L424	F385-I420 HydrophobicContact CB-CD1 4.34Å; F385-I420 HydrophobicContact CB-CG1 4.03Å; F385-I420 HydrophobicContact CD2-CG1 3.76Å; F385-I420 HydrophobicContact CG-CG1 4.41Å; V388-I420 HydrophobicContact CG1-CG2 4.17Å; V388-I420 HydrophobicContact CG2-CD1 4.02Å; V388-I420 HydrophobicContact CG2-CG1 4.23Å; V388-I420 HydrophobicContact CG2-CG2 4.45Å; A412-I420 HydrophobicContact CB-CB 4.26Å; A412-I420 HydrophobicContact CB-CG2 3.56Å; F417-I420 HydrophobicContact CB-CB 4.01Å; F417-I420 HydrophobicContact CB-CD1 3.82Å; F417-I420 HydrophobicContact CB-CG1 4.25Å; F417-I420 HydrophobicContact CG-CD1 4.17Å; F417-I420 WeakPolarHBondContact O-CA 3.4Å; F417-I420 WeakPolarHBondContact O-CB 3.17Å; F417-I420 PolarHBondContact O-N 2.6Å; I420-A422 VanDerWaalsContact C-N 3.34Å; I420-A422 PolarHBondContact O-N 2.84Å; I420-Y423 PolarHBondContact O-N 3.04Å; I420-L424 HydrophobicContact CG2-CD1 3.56Å; I420-L424 HydrophobicContact CG2-CG 3.98Å; I420-L424 WeakPolarHBondContact O-CG 3.35Å; I420-L424 PolarHBondContact O-N 3.4Å
421	V	98.6	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-52.4	-49.8	176	173	0	0	0	0	111.5	L409 A412 A413 F417 Y423 L424 L425 T450 Y453 L454	L409-V421 HydrophobicContact CD1-CB 4.38Å; L409-V421 HydrophobicContact CD1-CG1 3.97Å; A412-V421 HydrophobicContact CB-CG2 3.8Å; A413-V421 HydrophobicContact CB-CG2 4.16Å; F417-V421 PolarHBondContact O-N 2.84Å; V421-Y423 VanDerWaalsContact C-N 3.33Å; V421-Y423 PolarHBondContact O-N 3.22Å; V421-L424 PolarHBondContact O-N 2.98Å; V421-L425 HydrophobicContact CG1-CD1 4.07Å; V421-L425 WeakPolarHBondContact O-CG 3.44Å; V421-L425 PolarHBondContact O-N 3.09Å; V421-T450 HydrophobicContact CB-CG2 4.48Å; V421-T450 HydrophobicContact CG1-CG2 4.42Å; V421-T450 HydrophobicContact CG2-CG2 3.96Å; V421-Y453 HydrophobicContact CG1-CD1 4.18Å; V421-Y453 HydrophobicContact CG1-CE1 4.27Å; V421-L454 HydrophobicContact CG1-CD2 3.81Å; V421-L454 HydrophobicContact CG1-CG 4.22Å
422	A	98.4	Very high	97.7	Very high	27 Å²	27	40.3 Å²	40.3	22%	0.223	23%	0.229	C	C	.	.	H	α-helix	trans	-59.7	-39.4	176.1	0	0	0	0	0	113.4	R418 I420 S426 Y453	R418-A422 VanDerWaalsContact O-CB 3.27Å; R418-A422 WeakPolarHBondContact O-CB 3.49Å; R418-A422 PolarHBondContact O-N 3.1Å; I420-A422 VanDerWaalsContact C-N 3.34Å; I420-A422 PolarHBondContact O-N 2.84Å; A422-S426 WeakPolarHBondContact O-CB 3.13Å; A422-S426 PolarHBondContact O-N 2.91Å; A422-Y453 WeakPolarHBondContact CA-OH 3.48Å; A422-Y453 HydrophobicContact CB-CE1 3.6Å; A422-Y453 VanDerWaalsContact CB-OH 3.31Å; A422-Y453 WeakPolarHBondContact CB-OH 3.35Å
423	Y	98.6	Very high	97.6	Very high	24 Å²	24	44.9 Å²	44.9	9%	0.094	25%	0.246	C	C	.	.	H	α-helix	trans	-71.7	-43.3	178.3	177.2	-99.8	0	0	0	112.4	F385 V388 R389 V392 E393 N419 I420 V421 S426 K427	F385-Y423 HydrophobicContact CE2-CG 4.16Å; V388-Y423 HydrophobicContact CG1-CD1 4.2Å; V388-Y423 HydrophobicContact CG1-CE1 4.42Å; R389-Y423 HydrophobicContact CB-CE1 4.42Å; R389-Y423 HydrophobicContact CG-CD1 4.25Å; R389-Y423 HydrophobicContact CG-CD2 4.18Å; R389-Y423 HydrophobicContact CG-CE1 3.87Å; R389-Y423 HydrophobicContact CG-CE2 3.8Å; R389-Y423 HydrophobicContact CG-CG 4.39Å; R389-Y423 PolarHBondContact O-OH 3.21Å; V392-Y423 HydrophobicContact CB-CE1 3.98Å; V392-Y423 HydrophobicContact CG1-CE1 4.22Å; V392-Y423 HydrophobicContact CG2-CE1 4.17Å; E393-Y423 PolarHBondContact OE1-OH 2.87Å; E393-Y423 VanDerWaalsContact OE1-OH 3.05Å; N419-Y423 WeakPolarHBondContact O-CB 3.48Å; N419-Y423 PolarHBondContact O-N 3.47Å; I420-Y423 PolarHBondContact O-N 3.04Å; V421-Y423 VanDerWaalsContact C-N 3.33Å; V421-Y423 PolarHBondContact O-N 3.22Å; Y423-S426 WeakPolarHBondContact CA-OG 3.48Å; Y423-S426 CarbonylContact O-C 3.51Å; Y423-S426 PolarHBondContact O-N 2.95Å; Y423-S426 PolarHBondContact O-OG 3.42Å; Y423-K427 HydrophobicContact CD1-CG 4.44Å; Y423-K427 HydrophobicContact CE1-CG 4.08Å; Y423-K427 HydrophobicContact CE2-CD 4.48Å; Y423-K427 VanDerWaalsContact CE2-CE 3.45Å; Y423-K427 HydrophobicContact CE2-CG 4.18Å; Y423-K427 VanDerWaalsContact CZ-CE 3.44Å; Y423-K427 VanDerWaalsContact O-CG 3.25Å; Y423-K427 WeakPolarHBondContact O-CG 3.39Å; Y423-K427 PolarHBondContact O-N 3.1Å; Y423-K427 VanDerWaalsContact O-N 3.11Å; Y423-K427 WeakPolarHBondContact OH-CE 3.5Å; Y423-K427 PolarHBondContact OH-NZ 3.45Å
424	L	98.5	Very high	97.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-45.4	176.7	-66.3	172.5	0	0	0	111	V388 V392 V398 T408 L409 A412 I420 V421 S426 K427 G428 A429	V388-L424 HydrophobicContact CG1-CD2 4.17Å; V392-L424 HydrophobicContact CG2-CD2 4.38Å; V398-L424 HydrophobicContact CG1-CB 4.43Å; V398-L424 HydrophobicContact CG1-CD2 4.12Å; T408-L424 HydrophobicContact CG2-CD1 3.78Å; T408-L424 HydrophobicContact CG2-CD2 4.02Å; L409-L424 HydrophobicContact CD1-CB 3.85Å; L409-L424 HydrophobicContact CD1-CD1 4.24Å; A412-L424 HydrophobicContact CB-CD1 4.16Å; I420-L424 HydrophobicContact CG2-CD1 3.56Å; I420-L424 HydrophobicContact CG2-CG 3.98Å; I420-L424 WeakPolarHBondContact O-CG 3.35Å; I420-L424 PolarHBondContact O-N 3.4Å; V421-L424 PolarHBondContact O-N 2.98Å; L424-S426 PolarHBondContact O-N 3.46Å; L424-K427 CarbonylContact O-C 3.55Å; L424-K427 WeakPolarHBondContact O-CA 3.28Å; L424-K427 PolarHBondContact O-N 3.17Å; L424-G428 PolarHBondContact O-N 3.22Å; L424-A429 HydrophobicContact CB-CB 3.98Å; L424-A429 VanDerWaalsContact O-CB 3.3Å; L424-A429 WeakPolarHBondContact O-CB 3.36Å; L424-A429 PolarHBondContact O-N 2.91Å
425	L	98.3	Very high	97.2	Very high	36 Å²	36	48.1 Å²	48.1	19%	0.188	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-43.7	172.7	-70.2	170.2	0	0	0	111.8	L409 V421 K427 G428 A429 I431 Y453 L454	L409-L425 HydrophobicContact CD1-CD2 4.24Å; L409-L425 HydrophobicContact CD1-CG 3.95Å; L409-L425 HydrophobicContact CD2-CD2 3.86Å; L409-L425 HydrophobicContact CD2-CG 4.45Å; V421-L425 HydrophobicContact CG1-CD1 4.07Å; V421-L425 WeakPolarHBondContact O-CG 3.44Å; V421-L425 PolarHBondContact O-N 3.09Å; L425-K427 PolarHBondContact O-N 3.36Å; L425-G428 PolarHBondContact O-N 3.09Å; L425-A429 HydrophobicContact CD2-CB 4.48Å; L425-I431 HydrophobicContact CD1-CD1 4.35Å; L425-I431 HydrophobicContact CD2-CB 4.02Å; L425-I431 HydrophobicContact CD2-CD1 3.96Å; L425-I431 HydrophobicContact CD2-CG1 4.09Å; L425-Y453 HydrophobicContact CD1-CE1 4.13Å; L425-L454 HydrophobicContact CD1-CD2 4.35Å
426	S	97.8	Very high	97.1	Very high	86 Å²	86	47.3 Å²	47.3	60%	0.601	27%	0.265	S	S	*	.	H	α-helix	trans	-63.3	-12	174.8	82.2	0	0	0	0	114.4	A422 Y423 L424	A422-S426 WeakPolarHBondContact O-CB 3.13Å; A422-S426 PolarHBondContact O-N 2.91Å; Y423-S426 WeakPolarHBondContact CA-OG 3.48Å; Y423-S426 CarbonylContact O-C 3.51Å; Y423-S426 PolarHBondContact O-N 2.95Å; Y423-S426 PolarHBondContact O-OG 3.42Å; L424-S426 PolarHBondContact O-N 3.46Å
427	K	98.3	Very high	97.2	Very high	90 Å²	90	44.7 Å²	44.7	39%	0.391	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	6.3	179.1	-66.8	-74.7	-179.9	150.6	0	113.1	V392 V398 Y423 L424 L425	V392-K427 HydrophobicContact CG1-CB 4.03Å; V392-K427 HydrophobicContact CG1-CD 3.89Å; V392-K427 HydrophobicContact CG1-CG 3.83Å; V398-K427 HydrophobicContact CG2-CB 4.37Å; Y423-K427 HydrophobicContact CD1-CG 4.44Å; Y423-K427 HydrophobicContact CE1-CG 4.08Å; Y423-K427 HydrophobicContact CE2-CD 4.48Å; Y423-K427 VanDerWaalsContact CE2-CE 3.45Å; Y423-K427 HydrophobicContact CE2-CG 4.18Å; Y423-K427 VanDerWaalsContact CZ-CE 3.44Å; Y423-K427 VanDerWaalsContact O-CG 3.25Å; Y423-K427 WeakPolarHBondContact O-CG 3.39Å; Y423-K427 PolarHBondContact O-N 3.1Å; Y423-K427 VanDerWaalsContact O-N 3.11Å; Y423-K427 WeakPolarHBondContact OH-CE 3.5Å; Y423-K427 PolarHBondContact OH-NZ 3.45Å; L424-K427 CarbonylContact O-C 3.55Å; L424-K427 WeakPolarHBondContact O-CA 3.28Å; L424-K427 PolarHBondContact O-N 3.17Å; L425-K427 PolarHBondContact O-N 3.36Å
428	G	96.9	Very high	97.2	Very high	48 Å²	48	41.7 Å²	41.7	50%	0.495	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	28.9	176.7	0	0	0	0	0	114.5	N399 L424 L425 D430	N399-G428 PolarHBondContact ND2-O 2.94Å; L424-G428 PolarHBondContact O-N 3.22Å; L425-G428 PolarHBondContact O-N 3.09Å; G428-D430 PolarHBondContact O-N 3.09Å
429	A	98.2	Very high	97.2	Very high	11 Å²	11	36.2 Å²	36.2	9%	0.091	22%	0.218	C	C	.	.			trans	-59.8	126.7	161.2	0	0	0	0	0	110.1	V398 N399 L409 L424 L425 I431	V398-A429 HydrophobicContact CG1-CB 3.55Å; N399-A429 WeakPolarHBondContact OD1-CA 3.31Å; L409-A429 HydrophobicContact CB-CB 4.32Å; L409-A429 HydrophobicContact CD1-CB 4.14Å; L409-A429 HydrophobicContact CD2-CB 4.18Å; L409-A429 HydrophobicContact CG-CB 4.45Å; L424-A429 HydrophobicContact CB-CB 3.98Å; L424-A429 VanDerWaalsContact O-CB 3.3Å; L424-A429 WeakPolarHBondContact O-CB 3.36Å; L424-A429 PolarHBondContact O-N 2.91Å; L425-A429 HydrophobicContact CD2-CB 4.48Å; A429-I431 PolarHBondContact O-N 3.46Å
430	D	97.8	Very high	97.3	Very high	80 Å²	80	32.8 Å²	32.8	43%	0.428	20%	0.199	S	C	.	.			trans	-71.8	121.1	169.6	168.9	15.4	0	0	0	109	N399 G428 E432 R433	N399-D430 PolarHBondContact OD1-N 3.05Å; G428-D430 PolarHBondContact O-N 3.09Å; D430-E432 VanDerWaalsContact C-N 3.28Å; D430-E432 PolarHBondContact O-N 3.49Å; D430-E432 PolarHBondContact OD1-N 2.88Å; D430-E432 VanDerWaalsContact OD1-N 3.17Å; D430-R433 HydrophobicContact CB-CB 3.8Å; D430-R433 HydrophobicContact CB-CG 4.44Å; D430-R433 WeakPolarHBondContact O-CB 3.44Å; D430-R433 PolarHBondContact O-N 3.05Å
431	I	97.5	Very high	97.2	Very high	27 Å²	27	34.4 Å²	34.4	14%	0.138	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-21.6	-170.2	-163.9	161.6	0	0	0	113	L409 L425 A429 L454 A459	L409-I431 HydrophobicContact CD2-CB 4.41Å; L409-I431 HydrophobicContact CD2-CG1 4.3Å; L425-I431 HydrophobicContact CD1-CD1 4.35Å; L425-I431 HydrophobicContact CD2-CB 4.02Å; L425-I431 HydrophobicContact CD2-CD1 3.96Å; L425-I431 HydrophobicContact CD2-CG1 4.09Å; A429-I431 PolarHBondContact O-N 3.46Å; I431-L454 HydrophobicContact CD1-CD2 4.01Å; I431-L454 HydrophobicContact CG1-CD2 4.08Å; I431-A459 HydrophobicContact CD1-CB 3.75Å; I431-A459 HydrophobicContact CG1-CB 3.95Å
432	E	96.6	Very high	97.2	Very high	47 Å²	47	34.4 Å²	34.4	22%	0.22	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	8	177.5	-53.6	-55.7	140.3	0	0	112.4	D430 G434 T437 A459 N460 T463	D430-E432 VanDerWaalsContact C-N 3.28Å; D430-E432 PolarHBondContact O-N 3.49Å; D430-E432 PolarHBondContact OD1-N 2.88Å; D430-E432 VanDerWaalsContact OD1-N 3.17Å; E432-G434 PolarHBondContact O-N 3.3Å; E432-T437 HydrophobicContact CB-CG2 4.48Å; E432-A459 WeakPolarHBondContact OE1-CA 3.43Å; E432-N460 PolarHBondContact OE1-N 3.31Å; E432-T463 WeakPolarHBondContact OE2-CB 3.5Å; E432-T463 WeakPolarHBondContact OE2-CG2 3.3Å; E432-T463 PolarHBondContact OE2-OG1 2.98Å
433	R	95.4	Very high	97.2	Very high	97 Å²	97	33.1 Å²	33.1	37%	0.366	20%	0.197	S	C	.	.			trans	-77.7	114.1	-172.9	-171.3	61.8	176.8	149.5	1.5	112.5	N399 L401 S407 D430	N399-R433 PolarHBondContact O-NE 3.15Å; N399-R433 VanDerWaalsContact O-NE 3.13Å; N399-R433 PolarHBondContact O-NH2 3.15Å; L401-R433 HydrophobicContact CD2-CG 3.96Å; S407-R433 WeakPolarHBondContact CB-O 3.4Å; S407-R433 PolarHBondContact OG-O 3.19Å; D430-R433 HydrophobicContact CB-CB 3.8Å; D430-R433 HydrophobicContact CB-CG 4.44Å; D430-R433 WeakPolarHBondContact O-CB 3.44Å; D430-R433 PolarHBondContact O-N 3.05Å
434	G	93.7	Very high	97.1	Very high	29 Å²	29	34.7 Å²	34.7	30%	0.299	21%	0.205	S	C	.	.	S	Bend	trans	153.5	-177.7	167.9	0	0	0	0	0	112.8	G405 E432 T436	G405-G434 CarbonylContact O-C 3.57Å; G405-G434 VanDerWaalsContact O-CA 3.28Å; G405-G434 WeakPolarHBondContact O-CA 3.24Å; E432-G434 PolarHBondContact O-N 3.3Å; G434-T436 CarbonylContact C-O 3.59Å; G434-T436 WeakPolarHBondContact CA-O 3.41Å
435	A	92.4	Very high	97.1	Very high	59 Å²	59	39.6 Å²	39.6	49%	0.488	23%	0.227	S	C	.	.	S	Bend	trans	-73.2	-35.6	163.5	0	0	0	0	0	111.1	G405 T465	G405-A435 PolarHBondContact O-N 3.01Å; A435-T465 WeakPolarHBondContact O-CG2 3.46Å
436	T	95.1	Very high	97	Very high	17 Å²	17	39 Å²	39	10%	0.104	23%	0.23	C	C	.	.	S	Bend	trans	-114	152.4	161.2	43.7	0	0	0	0	108.8	G434 M440 E441 T465 Y474	G434-T436 CarbonylContact C-O 3.59Å; G434-T436 WeakPolarHBondContact CA-O 3.41Å; T436-M440 HydrophobicContact CG2-SD 4.19Å; T436-E441 WeakPolarHBondContact CB-OE1 3.32Å; T436-E441 PolarHBondContact OG1-OE1 3.21Å; T436-T465 HydrophobicContact CG2-CG2 4.1Å; T436-Y474 HydrophobicContact CG2-CE1 4.39Å; T436-Y474 HydrophobicContact CG2-CE2 4.4Å; T436-Y474 WeakPolarHBondContact CG2-OH 3.16Å
437	T	97.5	Very high	97	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.031	21%	0.206	C	C	.	.			trans	-91.7	162.4	176	74	0	0	0	0	111.3	E432 L439 M440 E441 T463	E432-T437 HydrophobicContact CB-CG2 4.48Å; T437-L439 PolarHBondContact O-N 3.39Å; T437-L439 VanDerWaalsContact O-N 3.14Å; T437-M440 HydrophobicContact CG2-CE 4.09Å; T437-M440 HydrophobicContact CG2-SD 4.35Å; T437-M440 PolarHBondContact N-SD 3.49Å; T437-M440 VanDerWaalsContact N-SD 3.37Å; T437-M440 WeakPolarHBondContact O-CA 3.34Å; T437-M440 WeakPolarHBondContact O-CB 3.37Å; T437-M440 PolarHBondContact O-N 2.82Å; T437-E441 PolarHBondContact O-N 3.32Å; T437-T463 HydrophobicContact CG2-CG2 3.59Å
438	A	98	Very high	96.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-57.9	-29.2	176.5	0	0	0	0	0	113.2	L409 A413 A442 L454	L409-A438 HydrophobicContact CD2-CB 3.92Å; L409-A438 HydrophobicContact CG-CB 3.82Å; A413-A438 HydrophobicContact CB-CB 3.81Å; A413-A438 WeakPolarHBondContact CB-O 3.49Å; A438-A442 WeakPolarHBondContact O-CB 3.28Å; A438-A442 PolarHBondContact O-N 2.76Å; A438-A442 VanDerWaalsContact O-N 3.14Å; A438-L454 HydrophobicContact CB-CD1 3.98Å; A438-L454 HydrophobicContact CB-CD2 3.99Å; A438-L454 WeakPolarHBondContact O-CD1 3.3Å
439	L	98.4	Very high	96.9	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-69.3	-33.6	173.7	-173.1	67.1	0	0	0	112.3	T437 A443 L451 L454 L455 A459 A471 L487	T437-L439 PolarHBondContact O-N 3.39Å; T437-L439 VanDerWaalsContact O-N 3.14Å; L439-A443 WeakPolarHBondContact O-CB 3.47Å; L439-A443 PolarHBondContact O-N 3.31Å; L439-L451 HydrophobicContact CD1-CD1 3.81Å; L439-L451 HydrophobicContact CD1-CG 3.78Å; L439-L454 HydrophobicContact CD1-CB 4.28Å; L439-L455 HydrophobicContact CD1-CD1 4.47Å; L439-L455 HydrophobicContact CD1-CD2 3.85Å; L439-L455 HydrophobicContact CD1-CG 3.82Å; L439-L455 HydrophobicContact CD2-CD2 3.86Å; L439-A459 HydrophobicContact CB-CB 4.19Å; L439-A459 HydrophobicContact CD1-CB 4.47Å; L439-A459 HydrophobicContact CD2-CB 4.11Å; L439-A459 HydrophobicContact CG-CB 4.5Å; L439-A471 HydrophobicContact CD2-CB 4.14Å; L439-A471 HydrophobicContact CG-CB 3.92Å; L439-L487 HydrophobicContact CD1-CD2 4.46Å; L439-L487 HydrophobicContact CD2-CD2 4.42Å
440	M	98.2	Very high	96.9	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-71.1	-44.9	177.1	-63.3	170.4	-176.4	0	0	111.7	T436 T437 A443 Q444 T463 T465 A471 Y474	T436-M440 HydrophobicContact CG2-SD 4.19Å; T437-M440 HydrophobicContact CG2-CE 4.09Å; T437-M440 HydrophobicContact CG2-SD 4.35Å; T437-M440 PolarHBondContact N-SD 3.49Å; T437-M440 VanDerWaalsContact N-SD 3.37Å; T437-M440 WeakPolarHBondContact O-CA 3.34Å; T437-M440 WeakPolarHBondContact O-CB 3.37Å; T437-M440 PolarHBondContact O-N 2.82Å; M440-A443 CarbonylContact O-C 3.55Å; M440-A443 WeakPolarHBondContact O-CB 3.24Å; M440-A443 PolarHBondContact O-N 2.04Å; M440-A443 VanDerWaalsContact O-N 3.16Å; M440-Q444 PolarHBondContact O-N 3.29Å; M440-T463 HydrophobicContact CE-CG2 4.23Å; M440-T463 WeakPolarHBondContact CE-O 3.41Å; M440-T465 HydrophobicContact CE-CG2 3.9Å; M440-T465 HydrophobicContact SD-CG2 3.49Å; M440-T465 WeakPolarHBondContact SD-CG2 3.45Å; M440-A471 HydrophobicContact CG-CB 4.2Å; M440-Y474 HydrophobicContact CB-CD2 4.05Å; M440-Y474 HydrophobicContact CB-CE2 4.36Å; M440-Y474 HydrophobicContact CB-CG 4.46Å; M440-Y474 HydrophobicContact CG-CD2 4.15Å; M440-Y474 HydrophobicContact CG-CE2 4.36Å; M440-Y474 HydrophobicContact SD-CD2 4.45Å; M440-Y474 HydrophobicContact SD-CE2 4.08Å
441	E	97.6	Very high	96.9	Very high	35 Å²	35	34.9 Å²	34.9	16%	0.164	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-46.7	177.7	-62.7	-53.1	143.9	0	0	111.5	A410 T436 T437 A443 Q444 E445	A410-E441 HydrophobicContact CB-CG 3.98Å; T436-E441 WeakPolarHBondContact CB-OE1 3.32Å; T436-E441 PolarHBondContact OG1-OE1 3.21Å; T437-E441 PolarHBondContact O-N 3.32Å; E441-A443 PolarHBondContact O-N 2.98Å; E441-Q444 PolarHBondContact O-N 2.96Å; E441-Q444 VanDerWaalsContact O-N 3.15Å; E441-E445 PolarHBondContact O-N 2.74Å
442	A	98.2	Very high	96.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-30.9	174.2	0	0	0	0	0	112.5	A413 A438 G446 N447 L451 L454 I483	A413-A442 HydrophobicContact CB-CB 4.36Å; A438-A442 WeakPolarHBondContact O-CB 3.28Å; A438-A442 PolarHBondContact O-N 2.76Å; A438-A442 VanDerWaalsContact O-N 3.14Å; A442-G446 PolarHBondContact O-N 3.11Å; A442-N447 HydrophobicContact CB-CB 4.18Å; A442-N447 PolarHBondContact O-N 3.39Å; A442-L451 HydrophobicContact CB-CB 4.05Å; A442-L451 HydrophobicContact CB-CD1 4.46Å; A442-L454 HydrophobicContact CB-CD1 4.14Å; A442-I483 WeakPolarHBondContact O-CD1 3.2Å
443	A	98.3	Very high	97	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-76.4	-30	175.9	0	0	0	0	0	114	L439 M440 E441 L451 A471 A475 Q480 I483 L487	L439-A443 WeakPolarHBondContact O-CB 3.47Å; L439-A443 PolarHBondContact O-N 3.31Å; M440-A443 CarbonylContact O-C 3.55Å; M440-A443 WeakPolarHBondContact O-CB 3.24Å; M440-A443 PolarHBondContact O-N 2.04Å; M440-A443 VanDerWaalsContact O-N 3.16Å; E441-A443 PolarHBondContact O-N 2.98Å; A443-L451 HydrophobicContact CB-CD1 3.69Å; A443-A471 HydrophobicContact CB-CB 4.05Å; A443-A475 HydrophobicContact CB-CB 4.22Å; A443-A475 WeakPolarHBondContact O-CA 3.3Å; A443-Q480 WeakPolarHBondContact O-CG 3.44Å; A443-I483 HydrophobicContact CB-CG2 3.97Å; A443-L487 HydrophobicContact CB-CD1 4.34Å
444	Q	97.4	Very high	97.1	Very high	57 Å²	57	31.3 Å²	31.3	27%	0.266	17%	0.169	S	C	.	.	H	α-helix	trans	-72.9	-51.2	175.9	-170.1	-178.2	-95.6	0	0	111	M440 E441 G446 Y474 S478 Q480	M440-Q444 PolarHBondContact O-N 3.29Å; E441-Q444 PolarHBondContact O-N 2.96Å; E441-Q444 VanDerWaalsContact O-N 3.15Å; Q444-G446 PolarHBondContact O-N 3.17Å; Q444-Y474 HydrophobicContact CB-CD1 4.36Å; Q444-Y474 HydrophobicContact CG-CD1 4.36Å; Q444-S478 WeakPolarHBondContact CG-OG 3.42Å; Q444-S478 WeakPolarHBondContact O-CB 3.31Å; Q444-S478 PolarHBondContact O-OG 3.18Å; Q444-Q480 PolarHBondContact O-NE2 3Å; Q444-Q480 VanDerWaalsContact O-NE2 3.13Å
445	E	97.3	Very high	97.3	Very high	102 Å²	102	31.6 Å²	31.6	48%	0.477	16%	0.163	S	C	.	.	H	α-helix	trans	-81.1	-13.7	-171.4	-59.5	-50.8	118.5	0	0	114	E441 Q480	E441-E445 PolarHBondContact O-N 2.74Å; E445-Q480 VanDerWaalsContact C-NE2 3.33Å; E445-Q480 PolarHBondContact O-NE2 3.05Å
446	G	96.8	Very high	97.5	Very high	24 Å²	24	36.1 Å²	36.1	25%	0.247	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	17.1	175.8	0	0	0	0	0	115	A442 Q444 Y448 Q480	A442-G446 PolarHBondContact O-N 3.11Å; Q444-G446 PolarHBondContact O-N 3.17Å; G446-Y448 VanDerWaalsContact C-N 3.29Å; G446-Y448 PolarHBondContact O-N 3.3Å; G446-Q480 VanDerWaalsContact CA-NE2 3.31Å
447	N	97.3	Very high	97.6	Very high	18 Å²	18	37.6 Å²	37.6	10%	0.096	19%	0.185	C	C	.	.			trans	-80.3	68.1	-168.1	-66.2	-25	0	0	0	113	A413 G414 N416 A442 E449 T450 L451	A413-N447 PolarHBondContact O-ND2 3.28Å; G414-N447 VanDerWaalsContact C-ND2 3.29Å; G414-N447 PolarHBondContact O-ND2 3.07Å; N416-N447 HydrophobicContact CB-CB 4.05Å; N416-N447 VanDerWaalsContact CB-CG 3.44Å; N416-N447 WeakPolarHBondContact CB-OD1 3.39Å; N416-N447 PolarHBondContact N-ND2 3.01Å; N416-N447 PolarHBondContact ND2-OD1 3.16Å; A442-N447 HydrophobicContact CB-CB 4.18Å; A442-N447 PolarHBondContact O-N 3.39Å; N447-E449 PolarHBondContact O-N 3.02Å; N447-T450 PolarHBondContact O-N 3.47Å; N447-T450 VanDerWaalsContact O-N 3.11Å; N447-L451 WeakPolarHBondContact O-CB 3.17Å; N447-L451 PolarHBondContact O-N 3.32Å
448	Y	96.5	Very high	97.6	Very high	99 Å²	99	40 Å²	40	39%	0.388	21%	0.211	S	C	.	.	H	α-helix	trans	-48.9	-49.2	-172.6	-175	-90.3	0	0	0	114.2	G446 T450 L451 N452 V486	G446-Y448 VanDerWaalsContact C-N 3.29Å; G446-Y448 PolarHBondContact O-N 3.3Å; Y448-T450 PolarHBondContact O-N 2.86Å; Y448-L451 PolarHBondContact O-N 3.45Å; Y448-N452 VanDerWaalsContact CE1-ND2 3.33Å; Y448-N452 WeakPolarHBondContact CE1-ND2 3.37Å; Y448-N452 PolarHBondContact O-N 2.93Å; Y448-N452 PolarHBondContact O-ND2 3.22Å; Y448-V486 HydrophobicContact CD2-CG2 4.3Å; Y448-V486 HydrophobicContact CE2-CG2 3.48Å; Y448-V486 VanDerWaalsContact CE2-CG2 3.48Å
449	E	96	Very high	97.6	Very high	111 Å²	111	40.3 Å²	40.3	52%	0.519	21%	0.214	S	C	.	.	H	α-helix	trans	-67.5	-36.1	-177.8	-65.7	68.5	-151.1	0	0	112.4	R418 N447 Y453	R418-E449 WeakPolarHBondContact CD-O 3.41Å; N447-E449 PolarHBondContact O-N 3.02Å; E449-Y453 WeakPolarHBondContact O-CB 3.24Å; E449-Y453 PolarHBondContact O-N 2.86Å
450	T	97.9	Very high	97.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-77.5	-37.6	178.6	-62.9	0	0	0	0	111.3	A413 N416 R418 V421 N447 Y448 Y453 L454	A413-T450 HydrophobicContact CB-CG2 4.14Å; N416-T450 WeakPolarHBondContact OD1-CB 3.46Å; N416-T450 PolarHBondContact OD1-OG1 3.29Å; R418-T450 WeakPolarHBondContact CB-OG1 3.37Å; V421-T450 HydrophobicContact CB-CG2 4.48Å; V421-T450 HydrophobicContact CG1-CG2 4.42Å; V421-T450 HydrophobicContact CG2-CG2 3.96Å; N447-T450 PolarHBondContact O-N 3.47Å; N447-T450 VanDerWaalsContact O-N 3.11Å; Y448-T450 PolarHBondContact O-N 2.86Å; T450-Y453 PolarHBondContact O-N 3.29Å; T450-L454 HydrophobicContact CG2-CD1 4.15Å; T450-L454 WeakPolarHBondContact O-CG 3.2Å; T450-L454 PolarHBondContact O-N 3.33Å
451	L	98.4	Very high	97.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-46.9	174.3	179.5	127.6	0	0	0	112.3	L439 A442 A443 N447 Y448 Y453 L454 L455 I483 V486 L487	L439-L451 HydrophobicContact CD1-CD1 3.81Å; L439-L451 HydrophobicContact CD1-CG 3.78Å; A442-L451 HydrophobicContact CB-CB 4.05Å; A442-L451 HydrophobicContact CB-CD1 4.46Å; A443-L451 HydrophobicContact CB-CD1 3.69Å; N447-L451 WeakPolarHBondContact O-CB 3.17Å; N447-L451 PolarHBondContact O-N 3.32Å; Y448-L451 PolarHBondContact O-N 3.45Å; L451-Y453 VanDerWaalsContact C-N 3.32Å; L451-Y453 PolarHBondContact O-N 3.02Å; L451-L454 PolarHBondContact O-N 3Å; L451-L455 HydrophobicContact CD2-CD1 3.87Å; L451-L455 HydrophobicContact CG-CD1 4.36Å; L451-L455 WeakPolarHBondContact O-CG 3.4Å; L451-L455 PolarHBondContact O-N 3.03Å; L451-I483 HydrophobicContact CD1-CD1 4.31Å; L451-I483 HydrophobicContact CD1-CG2 3.54Å; L451-I483 HydrophobicContact CD2-CG2 4.07Å; L451-I483 HydrophobicContact CG-CG2 4.44Å; L451-V486 HydrophobicContact CD2-CB 4.13Å; L451-V486 HydrophobicContact CD2-CG1 3.67Å; L451-L487 HydrophobicContact CD1-CD2 4.33Å
452	N	97.8	Very high	97.5	Very high	41 Å²	41	47.2 Å²	47.2	22%	0.219	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-43.8	175.2	-79.1	-83.5	0	0	0	110.9	Y448 L454 L455 E456 V486	Y448-N452 VanDerWaalsContact CE1-ND2 3.33Å; Y448-N452 WeakPolarHBondContact CE1-ND2 3.37Å; Y448-N452 PolarHBondContact O-N 2.93Å; Y448-N452 PolarHBondContact O-ND2 3.22Å; N452-L454 VanDerWaalsContact C-N 3.33Å; N452-L454 PolarHBondContact O-N 3.12Å; N452-L455 PolarHBondContact O-N 2.87Å; N452-E456 WeakPolarHBondContact O-CB 3.19Å; N452-E456 WeakPolarHBondContact O-CG 3.4Å; N452-E456 PolarHBondContact O-N 3.08Å; N452-V486 WeakPolarHBondContact OD1-CG1 3.42Å
453	Y	98.1	Very high	97.4	Very high	55 Å²	55	48.8 Å²	48.8	22%	0.216	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-33.1	177.7	-179.5	-106	0	0	0	113.7	R418 V421 A422 L425 E449 T450 L451 S457	R418-Y453 HydrophobicContact CG-CD1 3.96Å; R418-Y453 HydrophobicContact CG-CG 4.05Å; V421-Y453 HydrophobicContact CG1-CD1 4.18Å; V421-Y453 HydrophobicContact CG1-CE1 4.27Å; A422-Y453 WeakPolarHBondContact CA-OH 3.48Å; A422-Y453 HydrophobicContact CB-CE1 3.6Å; A422-Y453 VanDerWaalsContact CB-OH 3.31Å; A422-Y453 WeakPolarHBondContact CB-OH 3.35Å; L425-Y453 HydrophobicContact CD1-CE1 4.13Å; E449-Y453 WeakPolarHBondContact O-CB 3.24Å; E449-Y453 PolarHBondContact O-N 2.86Å; T450-Y453 PolarHBondContact O-N 3.29Å; L451-Y453 VanDerWaalsContact C-N 3.32Å; L451-Y453 PolarHBondContact O-N 3.02Å; Y453-S457 VanDerWaalsContact O-CB 3.29Å; Y453-S457 WeakPolarHBondContact O-CB 3.28Å; Y453-S457 PolarHBondContact O-N 3.18Å; Y453-S457 PolarHBondContact O-OG 3.44Å
454	L	98.4	Very high	97.3	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.9	-42.5	172.6	-76.2	164	0	0	0	111.8	A413 V421 L425 I431 A438 L439 A442 T450 L451 N452 S457 G458 A459	A413-L454 HydrophobicContact CB-CD1 4.01Å; V421-L454 HydrophobicContact CG1-CD2 3.81Å; V421-L454 HydrophobicContact CG1-CG 4.22Å; L425-L454 HydrophobicContact CD1-CD2 4.35Å; I431-L454 HydrophobicContact CD1-CD2 4.01Å; I431-L454 HydrophobicContact CG1-CD2 4.08Å; A438-L454 HydrophobicContact CB-CD1 3.98Å; A438-L454 HydrophobicContact CB-CD2 3.99Å; A438-L454 WeakPolarHBondContact O-CD1 3.3Å; L439-L454 HydrophobicContact CD1-CB 4.28Å; A442-L454 HydrophobicContact CB-CD1 4.14Å; T450-L454 HydrophobicContact CG2-CD1 4.15Å; T450-L454 WeakPolarHBondContact O-CG 3.2Å; T450-L454 PolarHBondContact O-N 3.33Å; L451-L454 PolarHBondContact O-N 3Å; N452-L454 VanDerWaalsContact C-N 3.33Å; N452-L454 PolarHBondContact O-N 3.12Å; L454-S457 CarbonylContact O-C 3.49Å; L454-S457 WeakPolarHBondContact O-CA 3.36Å; L454-S457 WeakPolarHBondContact O-CB 3.24Å; L454-S457 PolarHBondContact O-N 2.8Å; L454-S457 VanDerWaalsContact O-N 3.16Å; L454-G458 PolarHBondContact O-N 3.38Å; L454-A459 HydrophobicContact CB-CB 4.12Å; L454-A459 WeakPolarHBondContact O-CB 3.28Å; L454-A459 PolarHBondContact O-N 3.24Å
455	L	97.9	Very high	97.2	Very high	35 Å²	35	49.1 Å²	49.1	18%	0.183	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-43.7	174.6	-67.5	167.8	0	0	0	111.7	L439 L451 N452 S457 G458 V461 V486 A490	L439-L455 HydrophobicContact CD1-CD1 4.47Å; L439-L455 HydrophobicContact CD1-CD2 3.85Å; L439-L455 HydrophobicContact CD1-CG 3.82Å; L439-L455 HydrophobicContact CD2-CD2 3.86Å; L451-L455 HydrophobicContact CD2-CD1 3.87Å; L451-L455 HydrophobicContact CG-CD1 4.36Å; L451-L455 WeakPolarHBondContact O-CG 3.4Å; L451-L455 PolarHBondContact O-N 3.03Å; N452-L455 PolarHBondContact O-N 2.87Å; L455-S457 PolarHBondContact O-N 3.14Å; L455-G458 PolarHBondContact O-N 2.91Å; L455-V461 HydrophobicContact CD2-CB 4.45Å; L455-V486 HydrophobicContact CD1-CG1 3.66Å; L455-A490 HydrophobicContact CD1-CB 4.08Å; L455-A490 HydrophobicContact CD2-CB 4.08Å
456	E	97.3	Very high	96.9	Very high	155 Å²	155	49.6 Å²	49.6	72%	0.724	28%	0.284	S	S	*	.	H	α-helix	trans	-60	-31.5	171.6	-72.6	173.7	174	0	0	112.5	N452 G458	N452-E456 WeakPolarHBondContact O-CB 3.19Å; N452-E456 WeakPolarHBondContact O-CG 3.4Å; N452-E456 PolarHBondContact O-N 3.08Å; E456-G458 VanDerWaalsContact C-N 3.27Å; E456-G458 PolarHBondContact O-N 3.13Å
457	S	97.3	Very high	96.7	Very high	47 Å²	47	54.3 Å²	54.3	33%	0.329	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	0.7	175.6	-57.6	0	0	0	0	113.8	Y453 L454 L455	Y453-S457 VanDerWaalsContact O-CB 3.29Å; Y453-S457 WeakPolarHBondContact O-CB 3.28Å; Y453-S457 PolarHBondContact O-N 3.18Å; Y453-S457 PolarHBondContact O-OG 3.44Å; L454-S457 CarbonylContact O-C 3.49Å; L454-S457 WeakPolarHBondContact O-CA 3.36Å; L454-S457 WeakPolarHBondContact O-CB 3.24Å; L454-S457 PolarHBondContact O-N 2.8Å; L454-S457 VanDerWaalsContact O-N 3.16Å; L455-S457 PolarHBondContact O-N 3.14Å
458	G	96.6	Very high	96.5	Very high	56 Å²	56	54.2 Å²	54.2	58%	0.577	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.9	18.1	175.3	0	0	0	0	0	116	L454 L455 E456 N460	L454-G458 PolarHBondContact O-N 3.38Å; L455-G458 PolarHBondContact O-N 2.91Å; E456-G458 VanDerWaalsContact C-N 3.27Å; E456-G458 PolarHBondContact O-N 3.13Å; G458-N460 PolarHBondContact O-N 3.43Å
459	A	97.9	Very high	96.4	Very high	8 Å²	8	50 Å²	50	7%	0.066	29%	0.287	C	S	.	.			trans	-58.8	131.6	174.2	0	0	0	0	0	111.4	I431 E432 L439 L454 V461	I431-A459 HydrophobicContact CD1-CB 3.75Å; I431-A459 HydrophobicContact CG1-CB 3.95Å; E432-A459 WeakPolarHBondContact OE1-CA 3.43Å; L439-A459 HydrophobicContact CB-CB 4.19Å; L439-A459 HydrophobicContact CD1-CB 4.47Å; L439-A459 HydrophobicContact CD2-CB 4.11Å; L439-A459 HydrophobicContact CG-CB 4.5Å; L454-A459 HydrophobicContact CB-CB 4.12Å; L454-A459 WeakPolarHBondContact O-CB 3.28Å; L454-A459 PolarHBondContact O-N 3.24Å; A459-V461 PolarHBondContact O-N 2.89Å
460	N	97.5	Very high	96.5	Very high	72 Å²	72	44.9 Å²	44.9	39%	0.385	26%	0.263	S	S	.	.			trans	-78.7	106.1	-176.6	174.6	28.9	0	0	0	111.3	E432 G458 H462 T463	E432-N460 PolarHBondContact OE1-N 3.31Å; G458-N460 PolarHBondContact O-N 3.43Å; N460-H462 PolarHBondContact O-N 2.92Å; N460-H462 WeakPolarHBondContact OD1-CB 3.32Å; N460-H462 PolarHBondContact OD1-N 2.85Å; N460-H462 VanDerWaalsContact OD1-N 3.09Å; N460-T463 WeakPolarHBondContact CB-OG1 3.41Å; N460-T463 PolarHBondContact ND2-N 2.86Å; N460-T463 PolarHBondContact ND2-OG1 3.31Å; N460-T463 PolarHBondContact O-N 3.37Å; N460-T463 PolarHBondContact O-OG1 3.45Å
461	V	97.4	Very high	96.5	Very high	11 Å²	11	45 Å²	45	7%	0.067	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.6	176.4	75.9	0	0	0	0	114	L455 A459 L487 A490 A492	L455-V461 HydrophobicContact CD2-CB 4.45Å; A459-V461 PolarHBondContact O-N 2.89Å; V461-L487 HydrophobicContact CG2-CB 4.48Å; V461-L487 HydrophobicContact CG2-CD2 3.92Å; V461-A490 HydrophobicContact CG2-CB 4.31Å; V461-A492 HydrophobicContact CG2-CB 3.76Å
462	H	96.6	Very high	96.5	Very high	101 Å²	101	45.1 Å²	45.1	47%	0.468	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-0.6	179.7	-57.4	-69.1	0	0	0	114.8	N460 A464 G491	N460-H462 PolarHBondContact O-N 2.92Å; N460-H462 WeakPolarHBondContact OD1-CB 3.32Å; N460-H462 PolarHBondContact OD1-N 2.85Å; N460-H462 VanDerWaalsContact OD1-N 3.09Å; H462-A464 PolarHBondContact O-N 3.17Å; H462-G491 PolarHBondContact CE1-O 3.41Å
463	T	96.8	Very high	96.5	Very high	32 Å²	32	43.2 Å²	43.2	20%	0.196	25%	0.254	C	S	.	.			trans	-62.9	137.2	176.3	-63.1	0	0	0	0	109.8	E432 T437 M440 N460 T470	E432-T463 WeakPolarHBondContact OE2-CB 3.5Å; E432-T463 WeakPolarHBondContact OE2-CG2 3.3Å; E432-T463 PolarHBondContact OE2-OG1 2.98Å; T437-T463 HydrophobicContact CG2-CG2 3.59Å; M440-T463 HydrophobicContact CE-CG2 4.23Å; M440-T463 WeakPolarHBondContact CE-O 3.41Å; N460-T463 WeakPolarHBondContact CB-OG1 3.41Å; N460-T463 PolarHBondContact ND2-N 2.86Å; N460-T463 PolarHBondContact ND2-OG1 3.31Å; N460-T463 PolarHBondContact O-N 3.37Å; N460-T463 PolarHBondContact O-OG1 3.45Å; T463-T470 WeakPolarHBondContact O-CA 3.45Å
464	A	95.5	Very high	96.4	Very high	46 Å²	46	42.6 Å²	42.6	38%	0.38	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-124.4	144	-175.4	0	0	0	0	0	110.8	H462 D469 T470	H462-A464 PolarHBondContact O-N 3.17Å; A464-D469 CarbonylContact C-O 3.57Å; A464-D469 VanDerWaalsContact CA-O 3.26Å; A464-D469 WeakPolarHBondContact CA-O 3.47Å; A464-T470 HydrophobicContact CB-CG2 4.11Å
465	T	95	Very high	96.4	Very high	19 Å²	19	42.6 Å²	42.6	12%	0.117	25%	0.252	C	S	.	.			trans	-69.3	177.7	172.5	66.7	0	0	0	0	111.4	A435 T436 M440 Q467 G468 D469 Y474	A435-T465 WeakPolarHBondContact O-CG2 3.46Å; T436-T465 HydrophobicContact CG2-CG2 4.1Å; M440-T465 HydrophobicContact CE-CG2 3.9Å; M440-T465 HydrophobicContact SD-CG2 3.49Å; M440-T465 WeakPolarHBondContact SD-CG2 3.45Å; T465-Q467 PolarHBondContact O-N 2.88Å; T465-Q467 PolarHBondContact OG1-N 2.95Å; T465-G468 WeakPolarHBondContact O-CA 3.38Å; T465-G468 PolarHBondContact O-N 3.48Å; T465-D469 PolarHBondContact N-O 3.05Å; T465-D469 PolarHBondContact OG1-N 2.66Å; T465-Y474 HydrophobicContact CG2-CE2 3.95Å
466	S	92.4	Very high	96.4	Very high	112 Å²	112	40.9 Å²	40.9	78%	0.783	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.1	172.2	51	0	0	0	0	114	G468	S466-G468 PolarHBondContact O-N 2.99Å
467	Q	91.2	Very high	96.4	Very high	123 Å²	123	37.8 Å²	37.8	58%	0.575	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	7.4	174.5	-59.7	-175.5	14.1	0	0	112.9	T465 D469 E499	T465-Q467 PolarHBondContact O-N 2.88Å; T465-Q467 PolarHBondContact OG1-N 2.95Å; Q467-D469 VanDerWaalsContact C-N 3.26Å; Q467-D469 PolarHBondContact O-N 2.94Å; Q467-E499 WeakPolarHBondContact O-CB 3.41Å; Q467-E499 PolarHBondContact O-N 3.23Å
468	G	94	Very high	96.4	Very high	16 Å²	16	37.6 Å²	37.6	17%	0.165	23%	0.228	C	C	.	.	S	Bend	trans	73.6	8.8	-176.9	0	0	0	0	0	114.8	T465 S466 H496 G498	T465-G468 WeakPolarHBondContact O-CA 3.38Å; T465-G468 PolarHBondContact O-N 3.48Å; S466-G468 PolarHBondContact O-N 2.99Å; G468-H496 PolarHBondContact O-NE2 3.08Å; G468-G498 WeakPolarHBondContact O-CA 3.2Å
469	D	95.5	Very high	96.4	Very high	9 Å²	9	35.9 Å²	35.9	5%	0.048	21%	0.209	C	C	.	.			trans	-81.6	134.5	-177.9	-88	-48	0	0	0	112.5	A464 T465 Q467 S473 Y474 K507	A464-D469 CarbonylContact C-O 3.57Å; A464-D469 VanDerWaalsContact CA-O 3.26Å; A464-D469 WeakPolarHBondContact CA-O 3.47Å; T465-D469 PolarHBondContact N-O 3.05Å; T465-D469 PolarHBondContact OG1-N 2.66Å; Q467-D469 VanDerWaalsContact C-N 3.26Å; Q467-D469 PolarHBondContact O-N 2.94Å; D469-S473 WeakPolarHBondContact OD1-CB 3.38Å; D469-S473 PolarHBondContact OD1-OG 2.81Å; D469-Y474 HydrophobicContact CB-CE2 4Å; D469-K507 WeakPolarHBondContact OD1-CE 3.31Å; D469-K507 IonicContact OD1-NZ 3.74Å; D469-K507 PolarHBondContact OD1-NZ 3.43Å; D469-K507 VanDerWaalsContact OD1-NZ 3.11Å; D469-K507 VanDerWaalsContact OD2-CE 3.24Å; D469-K507 WeakPolarHBondContact OD2-CE 3.48Å; D469-K507 IonicContact OD2-NZ 3.62Å; D469-K507 PolarHBondContact OD2-NZ 3Å
470	T	97.6	Very high	96.4	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.031	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-103.7	171.6	179	60.2	0	0	0	0	111.4	T463 A464 M472 S473 Y474	T463-T470 WeakPolarHBondContact O-CA 3.45Å; A464-T470 HydrophobicContact CB-CG2 4.11Å; T470-M472 PolarHBondContact O-N 2.99Å; T470-S473 WeakPolarHBondContact O-CA 3.4Å; T470-S473 VanDerWaalsContact O-CB 3.24Å; T470-S473 WeakPolarHBondContact O-CB 3.38Å; T470-S473 PolarHBondContact O-N 3.03Å; T470-Y474 WeakPolarHBondContact O-CD2 3.32Å; T470-Y474 PolarHBondContact O-N 3.01Å
471	A	97.9	Very high	96.4	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-52.2	-30.2	173.3	0	0	0	0	0	113.2	L439 M440 A443 Y474 A475 L487	L439-A471 HydrophobicContact CD2-CB 4.14Å; L439-A471 HydrophobicContact CG-CB 3.92Å; M440-A471 HydrophobicContact CG-CB 4.2Å; A443-A471 HydrophobicContact CB-CB 4.05Å; A471-Y474 PolarHBondContact O-N 2.82Å; A471-A475 PolarHBondContact O-N 3.38Å; A471-L487 HydrophobicContact CB-CD1 4.1Å; A471-L487 HydrophobicContact CB-CD2 4.12Å
472	M	97.9	Very high	96.4	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-35.9	174.9	-172.4	62.2	174.7	0	0	112.7	T470 A476 C484 L487 L488 A492 L494 A504 L520	T470-M472 PolarHBondContact O-N 2.99Å; M472-A476 WeakPolarHBondContact O-CB 3.33Å; M472-A476 PolarHBondContact O-N 3.34Å; M472-C484 HydrophobicContact CE-CB 4.03Å; M472-C484 HydrophobicContact SD-CB 4.06Å; M472-L487 HydrophobicContact CB-CD1 4.38Å; M472-L487 HydrophobicContact SD-CB 4.13Å; M472-L487 HydrophobicContact SD-CD1 4.33Å; M472-L488 HydrophobicContact CE-CD1 3.94Å; M472-L488 HydrophobicContact CE-CD2 3.88Å; M472-L488 HydrophobicContact CE-CG 3.7Å; M472-L488 HydrophobicContact SD-CG 4.45Å; M472-A492 HydrophobicContact CB-CB 4.21Å; M472-A492 HydrophobicContact CG-CB 4.36Å; M472-L494 HydrophobicContact CE-CD1 4.28Å; M472-A504 HydrophobicContact CG-CB 4.14Å; M472-L520 HydrophobicContact CE-CD2 3.42Å; M472-L520 VanDerWaalsContact CE-CD2 3.42Å
473	S	97.2	Very high	96.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-43.7	171.5	-69.9	0	0	0	0	112.2	D469 T470 Q477	D469-S473 WeakPolarHBondContact OD1-CB 3.38Å; D469-S473 PolarHBondContact OD1-OG 2.81Å; T470-S473 WeakPolarHBondContact O-CA 3.4Å; T470-S473 VanDerWaalsContact O-CB 3.24Å; T470-S473 WeakPolarHBondContact O-CB 3.38Å; T470-S473 PolarHBondContact O-N 3.03Å; S473-Q477 WeakPolarHBondContact O-CB 3.41Å; S473-Q477 PolarHBondContact O-N 3.1Å
474	Y	97.4	Very high	96.5	Very high	42 Å²	42	36.4 Å²	36.4	17%	0.165	20%	0.204	C	C	.	.	H	α-helix	trans	-67.9	-51.2	-179.2	-77.7	-87	0	0	0	111.6	T436 M440 Q444 T465 D469 T470 A471 A476 Q477 S478	T436-Y474 HydrophobicContact CG2-CE1 4.39Å; T436-Y474 HydrophobicContact CG2-CE2 4.4Å; T436-Y474 WeakPolarHBondContact CG2-OH 3.16Å; M440-Y474 HydrophobicContact CB-CD2 4.05Å; M440-Y474 HydrophobicContact CB-CE2 4.36Å; M440-Y474 HydrophobicContact CB-CG 4.46Å; M440-Y474 HydrophobicContact CG-CD2 4.15Å; M440-Y474 HydrophobicContact CG-CE2 4.36Å; M440-Y474 HydrophobicContact SD-CD2 4.45Å; M440-Y474 HydrophobicContact SD-CE2 4.08Å; Q444-Y474 HydrophobicContact CB-CD1 4.36Å; Q444-Y474 HydrophobicContact CG-CD1 4.36Å; T465-Y474 HydrophobicContact CG2-CE2 3.95Å; D469-Y474 HydrophobicContact CB-CE2 4Å; T470-Y474 WeakPolarHBondContact O-CD2 3.32Å; T470-Y474 PolarHBondContact O-N 3.01Å; A471-Y474 PolarHBondContact O-N 2.82Å; Y474-A476 VanDerWaalsContact C-N 3.26Å; Y474-A476 PolarHBondContact O-N 3.14Å; Y474-Q477 PolarHBondContact O-N 3Å; Y474-S478 PolarHBondContact O-N 3.49Å; Y474-S478 PolarHBondContact O-OG 2.96Å
475	A	98.3	Very high	96.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55.1	-42.3	174.7	0	0	0	0	0	112.4	A443 A471 S478 G479 Q480 I483 L487	A443-A475 HydrophobicContact CB-CB 4.22Å; A443-A475 WeakPolarHBondContact O-CA 3.3Å; A471-A475 PolarHBondContact O-N 3.38Å; A475-S478 PolarHBondContact O-N 2.93Å; A475-G479 PolarHBondContact O-N 3.39Å; A475-G479 VanDerWaalsContact O-N 3.13Å; A475-Q480 HydrophobicContact CB-CB 4.19Å; A475-Q480 PolarHBondContact O-N 3.03Å; A475-I483 HydrophobicContact CB-CB 4.23Å; A475-I483 HydrophobicContact CB-CG2 3.74Å; A475-L487 HydrophobicContact CB-CD1 4.01Å
476	A	98	Very high	96.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.6	-37	-178.9	0	0	0	0	0	113.3	M472 Y474 A504 A508 T516 L520	M472-A476 WeakPolarHBondContact O-CB 3.33Å; M472-A476 PolarHBondContact O-N 3.34Å; Y474-A476 VanDerWaalsContact C-N 3.26Å; Y474-A476 PolarHBondContact O-N 3.14Å; A476-A504 HydrophobicContact CB-CB 3.71Å; A476-A504 WeakPolarHBondContact CB-O 3.4Å; A476-A508 HydrophobicContact CB-CB 4.35Å; A476-A508 WeakPolarHBondContact O-CA 3.38Å; A476-A508 WeakPolarHBondContact O-CB 3.41Å; A476-T516 HydrophobicContact CB-CG2 4.33Å; A476-L520 HydrophobicContact CB-CD1 4.3Å
477	Q	96.9	Very high	97	Very high	89 Å²	89	33.5 Å²	33.5	42%	0.416	17%	0.17	S	C	.	.	H	α-helix	trans	-69.7	-37.4	176.3	-166.7	170.8	-30.8	0	0	112	S473 Y474 K507 A511 Q513	S473-Q477 WeakPolarHBondContact O-CB 3.41Å; S473-Q477 PolarHBondContact O-N 3.1Å; Y474-Q477 PolarHBondContact O-N 3Å; Q477-K507 HydrophobicContact CB-CB 4.14Å; Q477-K507 HydrophobicContact CB-CD 4.37Å; Q477-K507 HydrophobicContact CG-CB 4.49Å; Q477-A511 HydrophobicContact CG-CB 4.3Å; Q477-A511 WeakPolarHBondContact O-CB 3.33Å; Q477-Q513 WeakPolarHBondContact O-CG 3.25Å; Q477-Q513 PolarHBondContact O-NE2 3.2Å
478	S	97.1	Very high	97.4	Very high	44 Å²	44	29.4 Å²	29.4	31%	0.308	15%	0.152	S	C	.	.	H	α-helix	trans	-83.5	-2.7	179.3	-64.2	0	0	0	0	114.9	Q444 Y474 A475 Q513	Q444-S478 WeakPolarHBondContact CG-OG 3.42Å; Q444-S478 WeakPolarHBondContact O-CB 3.31Å; Q444-S478 PolarHBondContact O-OG 3.18Å; Y474-S478 PolarHBondContact O-N 3.49Å; Y474-S478 PolarHBondContact O-OG 2.96Å; A475-S478 PolarHBondContact O-N 2.93Å; S478-Q513 PolarHBondContact O-NE2 2.87Å
479	G	97.1	Very high	97.5	Very high	19 Å²	19	33 Å²	33	20%	0.196	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	14.3	177.9	0	0	0	0	0	114.9	A475 T481 T516	A475-G479 PolarHBondContact O-N 3.39Å; A475-G479 VanDerWaalsContact O-N 3.13Å; G479-T481 PolarHBondContact O-N 3.4Å; G479-T481 PolarHBondContact O-OG1 2.93Å; G479-T516 VanDerWaalsContact C-OG1 3.28Å; G479-T516 VanDerWaalsContact CA-OG1 3.29Å; G479-T516 WeakPolarHBondContact CA-OG1 3.26Å; G479-T516 PolarHBondContact O-OG1 3.15Å
480	Q	97.5	Very high	97.6	Very high	56 Å²	56	34.8 Å²	34.8	26%	0.262	20%	0.196	S	C	.	.			trans	-80.7	61.4	-170.3	-57.6	-69.7	3.7	0	0	111.8	A443 Q444 E445 G446 A475 K482 I483 C484	A443-Q480 WeakPolarHBondContact O-CG 3.44Å; Q444-Q480 PolarHBondContact O-NE2 3Å; Q444-Q480 VanDerWaalsContact O-NE2 3.13Å; E445-Q480 VanDerWaalsContact C-NE2 3.33Å; E445-Q480 PolarHBondContact O-NE2 3.05Å; G446-Q480 VanDerWaalsContact CA-NE2 3.31Å; A475-Q480 HydrophobicContact CB-CB 4.19Å; A475-Q480 PolarHBondContact O-N 3.03Å; Q480-K482 VanDerWaalsContact C-N 3.26Å; Q480-K482 PolarHBondContact O-N 3.17Å; Q480-K482 VanDerWaalsContact O-N 3.11Å; Q480-I483 HydrophobicContact CB-CB 4.07Å; Q480-I483 HydrophobicContact CB-CD1 4.32Å; Q480-I483 HydrophobicContact CB-CG1 4.42Å; Q480-I483 WeakPolarHBondContact O-CA 3.35Å; Q480-I483 WeakPolarHBondContact O-CB 3.49Å; Q480-I483 PolarHBondContact O-N 3.16Å; Q480-C484 PolarHBondContact O-N 3.22Å
481	T	97.2	Very high	97.5	Very high	15 Å²	15	36.5 Å²	36.5	9%	0.092	22%	0.215	C	C	.	.	H	α-helix	trans	-51.5	-39.1	-171.7	-53.4	0	0	0	0	113.8	G479 I483 C484 E485 E515 T516 F519	G479-T481 PolarHBondContact O-N 3.4Å; G479-T481 PolarHBondContact O-OG1 2.93Å; T481-I483 VanDerWaalsContact C-N 3.33Å; T481-I483 PolarHBondContact O-N 3.19Å; T481-C484 WeakPolarHBondContact O-CB 3.47Å; T481-C484 PolarHBondContact O-N 3.23Å; T481-E485 PolarHBondContact O-N 2.66Å; T481-E485 VanDerWaalsContact O-N 3.09Å; T481-E515 HydrophobicContact CG2-CG 4.35Å; T481-T516 WeakPolarHBondContact OG1-CA 3.3Å; T481-T516 PolarHBondContact OG1-N 3.28Å; T481-T516 PolarHBondContact OG1-OG1 3.13Å; T481-F519 HydrophobicContact CG2-CB 3.52Å; T481-F519 HydrophobicContact CG2-CD1 4.11Å; T481-F519 HydrophobicContact CG2-CD2 3.84Å; T481-F519 HydrophobicContact CG2-CG 3.57Å
482	K	97.2	Very high	97.5	Very high	161 Å²	161	36.9 Å²	36.9	70%	0.7	22%	0.218	S	C	*	.	H	α-helix	trans	-64.7	-35.4	175.9	-66.6	179.2	-177.7	172.7	0	112.9	Q480 E485 V486	Q480-K482 VanDerWaalsContact C-N 3.26Å; Q480-K482 PolarHBondContact O-N 3.17Å; Q480-K482 VanDerWaalsContact O-N 3.11Å; K482-E485 PolarHBondContact O-N 2.72Å; K482-V486 PolarHBondContact O-N 2.88Å
483	I	98.2	Very high	97.4	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-74.6	-38.5	175.9	-68.1	-177.4	0	0	0	110.3	A442 A443 L451 A475 Q480 T481 E485 V486 L487	A442-I483 WeakPolarHBondContact O-CD1 3.2Å; A443-I483 HydrophobicContact CB-CG2 3.97Å; L451-I483 HydrophobicContact CD1-CD1 4.31Å; L451-I483 HydrophobicContact CD1-CG2 3.54Å; L451-I483 HydrophobicContact CD2-CG2 4.07Å; L451-I483 HydrophobicContact CG-CG2 4.44Å; A475-I483 HydrophobicContact CB-CB 4.23Å; A475-I483 HydrophobicContact CB-CG2 3.74Å; Q480-I483 HydrophobicContact CB-CB 4.07Å; Q480-I483 HydrophobicContact CB-CD1 4.32Å; Q480-I483 HydrophobicContact CB-CG1 4.42Å; Q480-I483 WeakPolarHBondContact O-CA 3.35Å; Q480-I483 WeakPolarHBondContact O-CB 3.49Å; Q480-I483 PolarHBondContact O-N 3.16Å; T481-I483 VanDerWaalsContact C-N 3.33Å; T481-I483 PolarHBondContact O-N 3.19Å; I483-E485 PolarHBondContact O-N 2.87Å; I483-V486 PolarHBondContact O-N 3.05Å; I483-V486 VanDerWaalsContact O-N 3.15Å; I483-L487 HydrophobicContact CG2-CD1 3.63Å; I483-L487 HydrophobicContact CG2-CG 3.91Å; I483-L487 WeakPolarHBondContact O-CB 3.45Å; I483-L487 VanDerWaalsContact O-CG 3.3Å; I483-L487 WeakPolarHBondContact O-CG 3.46Å; I483-L487 PolarHBondContact O-N 3.46Å
484	C	98.1	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56	-34.5	169.9	-64.5	0	0	0	0	112.1	M472 Q480 T481 L488 F519	M472-C484 HydrophobicContact CE-CB 4.03Å; M472-C484 HydrophobicContact SD-CB 4.06Å; Q480-C484 PolarHBondContact O-N 3.22Å; T481-C484 WeakPolarHBondContact O-CB 3.47Å; T481-C484 PolarHBondContact O-N 3.23Å; C484-L488 WeakPolarHBondContact O-CB 3.35Å; C484-L488 WeakPolarHBondContact O-CD1 3.1Å; C484-L488 WeakPolarHBondContact O-CG 3.01Å; C484-L488 PolarHBondContact O-N 2.86Å; C484-L488 VanDerWaalsContact O-N 3.11Å; C484-F519 HydrophobicContact CB-CD1 4.18Å; C484-F519 HydrophobicContact CB-CE1 3.78Å
485	E	97.7	Very high	97.3	Very high	95 Å²	95	41.8 Å²	41.8	44%	0.444	25%	0.25	S	C	.	.	H	α-helix	trans	-68.3	-46.7	172.9	-173.2	142.2	-116.8	0	0	113.5	T481 K482 I483 L488 A489 F519 K523	T481-E485 PolarHBondContact O-N 2.66Å; T481-E485 VanDerWaalsContact O-N 3.09Å; K482-E485 PolarHBondContact O-N 2.72Å; I483-E485 PolarHBondContact O-N 2.87Å; E485-L488 PolarHBondContact O-N 3.47Å; E485-A489 WeakPolarHBondContact O-CB 3.4Å; E485-A489 PolarHBondContact O-N 2.83Å; E485-F519 HydrophobicContact CB-CE2 3.93Å; E485-F519 HydrophobicContact CB-CZ 3.54Å; E485-F519 HydrophobicContact CG-CE2 4.3Å; E485-F519 HydrophobicContact CG-CZ 4.12Å; E485-K523 WeakPolarHBondContact OE1-CE 3.35Å; E485-K523 IonicContact OE1-NZ 2.65Å; E485-K523 PolarHBondContact OE1-NZ 3.34Å
486	V	97.7	Very high	97.1	Very high	21 Å²	21	44 Å²	44	13%	0.127	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-43.4	177.1	174.8	0	0	0	0	111.6	Y448 L451 N452 L455 K482 I483 A489 A490	Y448-V486 HydrophobicContact CD2-CG2 4.3Å; Y448-V486 HydrophobicContact CE2-CG2 3.48Å; Y448-V486 VanDerWaalsContact CE2-CG2 3.48Å; L451-V486 HydrophobicContact CD2-CB 4.13Å; L451-V486 HydrophobicContact CD2-CG1 3.67Å; N452-V486 WeakPolarHBondContact OD1-CG1 3.42Å; L455-V486 HydrophobicContact CD1-CG1 3.66Å; K482-V486 PolarHBondContact O-N 2.88Å; I483-V486 PolarHBondContact O-N 3.05Å; I483-V486 VanDerWaalsContact O-N 3.15Å; V486-A489 CarbonylContact O-C 3.55Å; V486-A489 PolarHBondContact O-N 3.14Å; V486-A490 WeakPolarHBondContact O-CB 3.48Å; V486-A490 PolarHBondContact O-N 2.91Å
487	L	98.2	Very high	96.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-42.3	178.6	-69	173.3	0	0	0	111.7	L439 A443 L451 V461 A471 M472 A475 I483 A489 A490 G491 A492	L439-L487 HydrophobicContact CD1-CD2 4.46Å; L439-L487 HydrophobicContact CD2-CD2 4.42Å; A443-L487 HydrophobicContact CB-CD1 4.34Å; L451-L487 HydrophobicContact CD1-CD2 4.33Å; V461-L487 HydrophobicContact CG2-CB 4.48Å; V461-L487 HydrophobicContact CG2-CD2 3.92Å; A471-L487 HydrophobicContact CB-CD1 4.1Å; A471-L487 HydrophobicContact CB-CD2 4.12Å; M472-L487 HydrophobicContact CB-CD1 4.38Å; M472-L487 HydrophobicContact SD-CB 4.13Å; M472-L487 HydrophobicContact SD-CD1 4.33Å; A475-L487 HydrophobicContact CB-CD1 4.01Å; I483-L487 HydrophobicContact CG2-CD1 3.63Å; I483-L487 HydrophobicContact CG2-CG 3.91Å; I483-L487 WeakPolarHBondContact O-CB 3.45Å; I483-L487 VanDerWaalsContact O-CG 3.3Å; I483-L487 WeakPolarHBondContact O-CG 3.46Å; I483-L487 PolarHBondContact O-N 3.46Å; L487-A489 VanDerWaalsContact C-N 3.35Å; L487-A490 CarbonylContact O-C 3.53Å; L487-A490 PolarHBondContact O-N 3.41Å; L487-G491 PolarHBondContact O-N 3.04Å; L487-G491 VanDerWaalsContact O-N 3.16Å; L487-A492 HydrophobicContact CB-CB 4.02Å; L487-A492 WeakPolarHBondContact O-CB 3.37Å; L487-A492 PolarHBondContact O-N 3.13Å
488	L	97.7	Very high	96.6	Very high	37 Å²	37	42.7 Å²	42.7	19%	0.194	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-38.6	172.9	-73.7	172.2	0	0	0	112.2	M472 C484 E485 A490 G491 A492 L494 F519 K523	M472-L488 HydrophobicContact CE-CD1 3.94Å; M472-L488 HydrophobicContact CE-CD2 3.88Å; M472-L488 HydrophobicContact CE-CG 3.7Å; M472-L488 HydrophobicContact SD-CG 4.45Å; C484-L488 WeakPolarHBondContact O-CB 3.35Å; C484-L488 WeakPolarHBondContact O-CD1 3.1Å; C484-L488 WeakPolarHBondContact O-CG 3.01Å; C484-L488 PolarHBondContact O-N 2.86Å; C484-L488 VanDerWaalsContact O-N 3.11Å; E485-L488 PolarHBondContact O-N 3.47Å; L488-A490 VanDerWaalsContact C-N 3.3Å; L488-A490 PolarHBondContact O-N 2.83Å; L488-G491 PolarHBondContact O-N 3.16Å; L488-G491 VanDerWaalsContact O-N 3.12Å; L488-A492 WeakPolarHBondContact CD2-O 3.31Å; L488-L494 HydrophobicContact CD1-CD1 4.2Å; L488-L494 HydrophobicContact CD2-CB 4.01Å; L488-L494 HydrophobicContact CD2-CD1 4.06Å; L488-F519 HydrophobicContact CD1-CE1 3.82Å; L488-F519 HydrophobicContact CD1-CZ 4.19Å; L488-K523 HydrophobicContact CD1-CB 4.2Å; L488-K523 HydrophobicContact CD1-CD 4.27Å; L488-K523 HydrophobicContact CD1-CG 3.84Å
489	A	97	Very high	96.1	Very high	92 Å²	92	47.1 Å²	47.1	76%	0.76	27%	0.271	S	S	*	.	H	α-helix	trans	-66.8	-31.2	174.7	0	0	0	0	0	112.7	E485 V486 L487 G491	E485-A489 WeakPolarHBondContact O-CB 3.4Å; E485-A489 PolarHBondContact O-N 2.83Å; V486-A489 CarbonylContact O-C 3.55Å; V486-A489 PolarHBondContact O-N 3.14Å; L487-A489 VanDerWaalsContact C-N 3.35Å; A489-G491 VanDerWaalsContact C-N 3.25Å; A489-G491 PolarHBondContact O-N 3.09Å
490	A	97.3	Very high	95.6	Very high	46 Å²	46	49.7 Å²	49.7	38%	0.38	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-1.5	172	0	0	0	0	0	113.9	L455 V461 V486 L487 L488	L455-A490 HydrophobicContact CD1-CB 4.08Å; L455-A490 HydrophobicContact CD2-CB 4.08Å; V461-A490 HydrophobicContact CG2-CB 4.31Å; V486-A490 WeakPolarHBondContact O-CB 3.48Å; V486-A490 PolarHBondContact O-N 2.91Å; L487-A490 CarbonylContact O-C 3.53Å; L487-A490 PolarHBondContact O-N 3.41Å; L488-A490 VanDerWaalsContact C-N 3.3Å; L488-A490 PolarHBondContact O-N 2.83Å
491	G	96.7	Very high	95.3	Very high	42 Å²	42	47 Å²	47	43%	0.433	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	8.6	174	0	0	0	0	0	116.2	H462 L487 L488 A489 S493	H462-G491 PolarHBondContact CE1-O 3.41Å; L487-G491 PolarHBondContact O-N 3.04Å; L487-G491 VanDerWaalsContact O-N 3.16Å; L488-G491 PolarHBondContact O-N 3.16Å; L488-G491 VanDerWaalsContact O-N 3.12Å; A489-G491 VanDerWaalsContact C-N 3.25Å; A489-G491 PolarHBondContact O-N 3.09Å; G491-S493 PolarHBondContact O-N 2.77Å
492	A	97.4	Very high	95.1	Very high	9 Å²	9	51.4 Å²	51.4	7%	0.074	29%	0.285	C	S	.	.			trans	-52.5	137.9	176.1	0	0	0	0	0	112.1	V461 M472 L487 L488 L494	V461-A492 HydrophobicContact CG2-CB 3.76Å; M472-A492 HydrophobicContact CB-CB 4.21Å; M472-A492 HydrophobicContact CG-CB 4.36Å; L487-A492 HydrophobicContact CB-CB 4.02Å; L487-A492 WeakPolarHBondContact O-CB 3.37Å; L487-A492 PolarHBondContact O-N 3.13Å; L488-A492 WeakPolarHBondContact CD2-O 3.31Å; A492-L494 PolarHBondContact O-N 3.13Å
493	S	96.4	Very high	95.1	Very high	58 Å²	58	43.8 Å²	43.8	41%	0.406	25%	0.252	S	S	.	.			trans	-75.6	118.1	175.2	179.5	0	0	0	0	110.4	G491 E495 H496	G491-S493 PolarHBondContact O-N 2.77Å; S493-E495 PolarHBondContact O-N 2.81Å; S493-H496 WeakPolarHBondContact O-CB 3.27Å; S493-H496 PolarHBondContact O-N 3.31Å; S493-H496 VanDerWaalsContact O-N 3.15Å; S493-H496 PolarHBondContact OG-N 3.45Å
494	L	95.8	Very high	95	Very high	31 Å²	31	43.8 Å²	43.8	16%	0.162	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.8	178.1	-176	64.2	0	0	0	112.5	M472 L488 A492 L520 K523 A525	M472-L494 HydrophobicContact CE-CD1 4.28Å; L488-L494 HydrophobicContact CD1-CD1 4.2Å; L488-L494 HydrophobicContact CD2-CB 4.01Å; L488-L494 HydrophobicContact CD2-CD1 4.06Å; A492-L494 PolarHBondContact O-N 3.13Å; L494-L520 HydrophobicContact CD1-CD2 3.64Å; L494-K523 HydrophobicContact CD1-CB 4.4Å; L494-K523 HydrophobicContact CD2-CB 4.17Å; L494-K523 WeakPolarHBondContact CD2-O 3.29Å; L494-A525 HydrophobicContact CD1-CB 4.26Å; L494-A525 HydrophobicContact CD2-CB 4.13Å; L494-A525 HydrophobicContact CG-CB 4.12Å
495	E	95	Very high	95	Very high	59 Å²	59	43.9 Å²	43.9	28%	0.276	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	30.3	178.8	-59.2	-62.7	170.7	0	0	111.8	S493 Q497 A525 N526 L529	S493-E495 PolarHBondContact O-N 2.81Å; E495-Q497 PolarHBondContact O-N 3.1Å; E495-A525 VanDerWaalsContact OE1-CA 3.23Å; E495-A525 WeakPolarHBondContact OE1-CA 3.49Å; E495-N526 PolarHBondContact OE1-N 3.05Å; E495-L529 VanDerWaalsContact OE2-CD2 3.32Å; E495-L529 WeakPolarHBondContact OE2-CD2 3.47Å
496	H	95.2	Very high	94.9	Very high	48 Å²	48	39.7 Å²	39.7	22%	0.222	23%	0.234	C	C	.	.			trans	-59.9	124.2	170.2	-175	77.2	0	0	0	109.8	G468 S493 T503	G468-H496 PolarHBondContact O-NE2 3.08Å; S493-H496 WeakPolarHBondContact O-CB 3.27Å; S493-H496 PolarHBondContact O-N 3.31Å; S493-H496 VanDerWaalsContact O-N 3.15Å; S493-H496 PolarHBondContact OG-N 3.45Å; H496-T503 WeakPolarHBondContact O-CA 3.47Å
497	Q	92.8	Very high	94.8	Very high	56 Å²	56	39.9 Å²	39.9	26%	0.262	23%	0.233	S	C	.	.			trans	-104.5	120.9	176.9	-72	-171.8	-77.4	0	0	109.7	E495 G501 R502 T503 A530 F532	E495-Q497 PolarHBondContact O-N 3.1Å; Q497-G501 WeakPolarHBondContact CG-O 3.24Å; Q497-G501 PolarHBondContact NE2-O 2.69Å; Q497-R502 WeakPolarHBondContact CA-O 3.25Å; Q497-T503 HydrophobicContact CG-CG2 3.59Å; Q497-A530 PolarHBondContact NE2-O 3.05Å; Q497-F532 HydrophobicContact CB-CE1 4.02Å; Q497-F532 HydrophobicContact CB-CE2 4.34Å; Q497-F532 HydrophobicContact CB-CZ 3.58Å; Q497-F532 HydrophobicContact CG-CE1 4.41Å; Q497-F532 HydrophobicContact CG-CZ 4.43Å; Q497-F532 VanDerWaalsContact OE1-CE1 3.25Å
498	G	91.4	Very high	94.8	Very high	4 Å²	4	39.9 Å²	39.9	4%	0.041	23%	0.233	C	C	.	.			trans	-66.7	-178.1	169.3	0	0	0	0	0	112.5	G468 V500 G501 R502 F532	G468-G498 WeakPolarHBondContact O-CA 3.2Å; G498-V500 VanDerWaalsContact C-N 3.28Å; G498-V500 PolarHBondContact O-N 3.05Å; G498-G501 WeakPolarHBondContact O-CA 3.45Å; G498-G501 PolarHBondContact O-N 3.43Å; G498-R502 PolarHBondContact N-O 3.12Å; G498-F532 WeakPolarHBondContact O-CE2 3.42Å
499	E	86.8	Confident	94.7	Very high	137 Å²	137	38.1 Å²	38.1	64%	0.64	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-44.3	-174.3	-175.6	-178.2	-154.9	0	0	112.5	Q467 G501	Q467-E499 WeakPolarHBondContact O-CB 3.41Å; Q467-E499 PolarHBondContact O-N 3.23Å; E499-G501 PolarHBondContact O-N 3.36Å
500	V	86.8	Confident	94.7	Very high	74 Å²	74	34 Å²	34	45%	0.448	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	28	177.3	-154.9	0	0	0	0	112.1	G498 R502 T531	G498-V500 VanDerWaalsContact C-N 3.28Å; G498-V500 PolarHBondContact O-N 3.05Å; V500-R502 PolarHBondContact O-N 2.98Å; V500-R502 VanDerWaalsContact O-N 3.15Å; V500-T531 WeakPolarHBondContact O-CB 3.45Å; V500-T531 WeakPolarHBondContact O-CG2 3.42Å
501	G	90.8	Very high	94.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	68.3	9.1	177.1	0	0	0	0	0	116.3	Q497 G498 E499 F532	Q497-G501 WeakPolarHBondContact CG-O 3.24Å; Q497-G501 PolarHBondContact NE2-O 2.69Å; G498-G501 WeakPolarHBondContact O-CA 3.45Å; G498-G501 PolarHBondContact O-N 3.43Å; E499-G501 PolarHBondContact O-N 3.36Å; G501-F532 VanDerWaalsContact CA-CD2 3.44Å
502	R	93.1	Very high	94.6	Very high	106 Å²	106	32.5 Å²	32.5	40%	0.4	18%	0.176	S	C	.	.			trans	-77.8	131.6	-172.4	-74.4	177.8	166.6	153.2	0.6	112	Q497 G498 V500 M506 T531	Q497-R502 WeakPolarHBondContact CA-O 3.25Å; G498-R502 PolarHBondContact N-O 3.12Å; V500-R502 PolarHBondContact O-N 2.98Å; V500-R502 VanDerWaalsContact O-N 3.15Å; R502-M506 HydrophobicContact CB-SD 4.47Å; R502-M506 HydrophobicContact CG-SD 4.48Å; R502-T531 HydrophobicContact CG-CG2 4.06Å
503	T	96.3	Very high	94.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	19%	0.186	C	C	.	.			trans	-99.1	165.4	172.3	65.5	0	0	0	0	113.1	H496 Q497 L505 M506 K507 L529	H496-T503 WeakPolarHBondContact O-CA 3.47Å; Q497-T503 HydrophobicContact CG-CG2 3.59Å; T503-L505 PolarHBondContact O-N 2.86Å; T503-M506 WeakPolarHBondContact O-CB 3.25Å; T503-M506 PolarHBondContact O-N 2.76Å; T503-K507 PolarHBondContact O-N 2.8Å; T503-K507 VanDerWaalsContact O-N 3.1Å; T503-L529 HydrophobicContact CG2-CD2 3.79Å
504	A	96.6	Very high	94.6	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.033	19%	0.186	C	C	.	.	H	α-helix	trans	-50.5	-39.5	172.5	0	0	0	0	0	112.7	M472 A476 K507 A508 L520	M472-A504 HydrophobicContact CG-CB 4.14Å; A476-A504 HydrophobicContact CB-CB 3.71Å; A476-A504 WeakPolarHBondContact CB-O 3.4Å; A504-K507 PolarHBondContact O-N 3.38Å; A504-A508 WeakPolarHBondContact O-CB 3.4Å; A504-A508 PolarHBondContact O-N 2.81Å; A504-L520 HydrophobicContact CB-CD1 4.22Å
505	L	97.3	Very high	94.6	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-42.5	177.3	-175	68.4	0	0	0	112.3	T503 K507 A509 V517 L520 L521 A525 A538	T503-L505 PolarHBondContact O-N 2.86Å; L505-K507 VanDerWaalsContact C-N 3.34Å; L505-K507 PolarHBondContact O-N 3.43Å; L505-A509 VanDerWaalsContact O-CB 3.26Å; L505-A509 WeakPolarHBondContact O-CB 3.48Å; L505-A509 PolarHBondContact O-N 2.74Å; L505-V517 HydrophobicContact CD1-CB 4.45Å; L505-V517 HydrophobicContact CD1-CG1 3.91Å; L505-V517 HydrophobicContact CD1-CG2 4.46Å; L505-L520 HydrophobicContact CB-CD1 4.41Å; L505-L520 HydrophobicContact CD1-CB 4Å; L505-L520 HydrophobicContact CD1-CD1 4.34Å; L505-L521 HydrophobicContact CD1-CD2 4.1Å; L505-L521 HydrophobicContact CD1-CG 4.05Å; L505-L521 HydrophobicContact CD2-CD2 3.89Å; L505-A525 HydrophobicContact CB-CB 4.35Å; L505-A525 HydrophobicContact CD1-CB 4.48Å; L505-A525 HydrophobicContact CD2-CB 4Å; L505-A538 HydrophobicContact CD2-CB 4.32Å; L505-A538 HydrophobicContact CG-CB 4.18Å
506	M	96	Very high	94.7	Very high	6 Å²	6	40 Å²	40	3%	0.03	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-39.4	177.2	-60.6	176.4	-171.8	0	0	111.7	R502 T503 G510 L529 T531	R502-M506 HydrophobicContact CB-SD 4.47Å; R502-M506 HydrophobicContact CG-SD 4.48Å; T503-M506 WeakPolarHBondContact O-CB 3.25Å; T503-M506 PolarHBondContact O-N 2.76Å; M506-G510 PolarHBondContact O-N 2.79Å; M506-L529 HydrophobicContact CE-CB 4.44Å; M506-L529 HydrophobicContact CE-CG 4.32Å; M506-L529 WeakPolarHBondContact CE-O 3.29Å; M506-T531 HydrophobicContact CE-CG2 4.24Å; M506-T531 HydrophobicContact SD-CG2 3.76Å
507	K	95.8	Very high	94.8	Very high	25 Å²	25	37.7 Å²	37.7	11%	0.109	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-48.6	176.4	-78.9	-171.5	161.8	-142.7	0	112.3	D469 Q477 T503 A504 L505 A509 G510 A511	D469-K507 WeakPolarHBondContact OD1-CE 3.31Å; D469-K507 IonicContact OD1-NZ 3.74Å; D469-K507 PolarHBondContact OD1-NZ 3.43Å; D469-K507 VanDerWaalsContact OD1-NZ 3.11Å; D469-K507 VanDerWaalsContact OD2-CE 3.24Å; D469-K507 WeakPolarHBondContact OD2-CE 3.48Å; D469-K507 IonicContact OD2-NZ 3.62Å; D469-K507 PolarHBondContact OD2-NZ 3Å; Q477-K507 HydrophobicContact CB-CB 4.14Å; Q477-K507 HydrophobicContact CB-CD 4.37Å; Q477-K507 HydrophobicContact CG-CB 4.49Å; T503-K507 PolarHBondContact O-N 2.8Å; T503-K507 VanDerWaalsContact O-N 3.1Å; A504-K507 PolarHBondContact O-N 3.38Å; L505-K507 VanDerWaalsContact C-N 3.34Å; L505-K507 PolarHBondContact O-N 3.43Å; K507-A509 VanDerWaalsContact C-N 3.31Å; K507-A509 PolarHBondContact O-N 2.96Å; K507-G510 PolarHBondContact O-N 3.02Å; K507-A511 WeakPolarHBondContact O-CB 3.38Å; K507-A511 PolarHBondContact O-N 3.48Å
508	A	97.7	Very high	95	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-41.4	176.1	0	0	0	0	0	111.9	A476 A504 A511 G512 Q513 T516 V517 L520	A476-A508 HydrophobicContact CB-CB 4.35Å; A476-A508 WeakPolarHBondContact O-CA 3.38Å; A476-A508 WeakPolarHBondContact O-CB 3.41Å; A504-A508 WeakPolarHBondContact O-CB 3.4Å; A504-A508 PolarHBondContact O-N 2.81Å; A508-A511 PolarHBondContact O-N 3.44Å; A508-G512 PolarHBondContact O-N 3.48Å; A508-G512 VanDerWaalsContact O-N 3.11Å; A508-Q513 HydrophobicContact CB-CB 4.24Å; A508-Q513 PolarHBondContact O-N 3.11Å; A508-T516 HydrophobicContact CB-CG2 4.11Å; A508-V517 HydrophobicContact CB-CG2 3.56Å; A508-L520 HydrophobicContact CB-CD1 4.17Å
509	A	97.2	Very high	95.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-47	176.3	0	0	0	0	0	112.9	L505 K507 A511 G512 V517 A538 M550 L554	L505-A509 VanDerWaalsContact O-CB 3.26Å; L505-A509 WeakPolarHBondContact O-CB 3.48Å; L505-A509 PolarHBondContact O-N 2.74Å; K507-A509 VanDerWaalsContact C-N 3.31Å; K507-A509 PolarHBondContact O-N 2.96Å; A509-A511 VanDerWaalsContact C-N 3.25Å; A509-A511 PolarHBondContact O-N 3.27Å; A509-G512 PolarHBondContact O-N 2.67Å; A509-G512 VanDerWaalsContact O-N 3.13Å; A509-V517 HydrophobicContact CB-CG2 4.3Å; A509-A538 HydrophobicContact CB-CB 4.02Å; A509-A538 WeakPolarHBondContact CB-O 3.48Å; A509-M550 HydrophobicContact CB-CG 4.27Å; A509-L554 HydrophobicContact CB-CD1 4.09Å
510	G	95.6	Very high	95.8	Very high	5 Å²	5	31.7 Å²	31.7	5%	0.052	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-27.3	176.4	0	0	0	0	0	113.9	M506 K507 N545 Q547	M506-G510 PolarHBondContact O-N 2.79Å; K507-G510 PolarHBondContact O-N 3.02Å; G510-N545 VanDerWaalsContact O-CB 3.31Å; G510-N545 WeakPolarHBondContact O-CB 3.44Å; G510-N545 PolarHBondContact O-ND2 3.1Å; G510-Q547 WeakPolarHBondContact O-CG 3.33Å; G510-Q547 PolarHBondContact O-NE2 3.43Å
511	A	96.4	Very high	96.3	Very high	34 Å²	34	29.8 Å²	29.8	28%	0.281	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-1	174.9	0	0	0	0	0	114.1	Q477 K507 A508 A509 Q513	Q477-A511 HydrophobicContact CG-CB 4.3Å; Q477-A511 WeakPolarHBondContact O-CB 3.33Å; K507-A511 WeakPolarHBondContact O-CB 3.38Å; K507-A511 PolarHBondContact O-N 3.48Å; A508-A511 PolarHBondContact O-N 3.44Å; A509-A511 VanDerWaalsContact C-N 3.25Å; A509-A511 PolarHBondContact O-N 3.27Å; A511-Q513 VanDerWaalsContact C-N 3.31Å; A511-Q513 HydrophobicContact CB-CG 3.81Å; A511-Q513 PolarHBondContact O-N 2.85Å
512	G	96.3	Very high	96.6	Very high	24 Å²	24	37.5 Å²	37.5	25%	0.247	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	11.7	178.8	0	0	0	0	0	115.4	A508 A509 R514 M550	A508-G512 PolarHBondContact O-N 3.48Å; A508-G512 VanDerWaalsContact O-N 3.11Å; A509-G512 PolarHBondContact O-N 2.67Å; A509-G512 VanDerWaalsContact O-N 3.13Å; G512-R514 VanDerWaalsContact C-N 3.33Å; G512-R514 PolarHBondContact O-N 2.91Å; G512-M550 WeakPolarHBondContact O-CE 3.24Å
513	Q	97.2	Very high	96.7	Very high	58 Å²	58	37.1 Å²	37.1	27%	0.271	18%	0.175	S	C	.	.			trans	-75.3	73.9	-170.3	-57.2	-66.9	8.7	0	0	112.9	Q477 S478 A508 A511 E515 T516 V517	Q477-Q513 WeakPolarHBondContact O-CG 3.25Å; Q477-Q513 PolarHBondContact O-NE2 3.2Å; S478-Q513 PolarHBondContact O-NE2 2.87Å; A508-Q513 HydrophobicContact CB-CB 4.24Å; A508-Q513 PolarHBondContact O-N 3.11Å; A511-Q513 VanDerWaalsContact C-N 3.31Å; A511-Q513 HydrophobicContact CB-CG 3.81Å; A511-Q513 PolarHBondContact O-N 2.85Å; Q513-E515 PolarHBondContact O-N 3.31Å; Q513-T516 PolarHBondContact O-N 2.91Å; Q513-V517 WeakPolarHBondContact O-CG2 3.35Å; Q513-V517 PolarHBondContact O-N 3.08Å
514	R	95.4	Very high	96.7	Very high	110 Å²	110	39.2 Å²	39.2	42%	0.415	20%	0.197	S	C	.	.	H	α-helix	trans	-56.1	-47.1	-169.3	-176.3	176.4	170.6	131.4	5.8	114.4	G512 T516 V517 E518 M550 F553	G512-R514 VanDerWaalsContact C-N 3.33Å; G512-R514 PolarHBondContact O-N 2.91Å; R514-T516 VanDerWaalsContact C-N 3.28Å; R514-T516 PolarHBondContact O-N 3.17Å; R514-V517 PolarHBondContact O-N 3.12Å; R514-E518 IonicContact CZ-OE1 2.63Å; R514-E518 VanDerWaalsContact CZ-OE1 3.31Å; R514-E518 IonicContact NE-OE1 2.74Å; R514-E518 PolarHBondContact NE-OE1 3.14Å; R514-E518 IonicContact NH2-OE1 2.69Å; R514-E518 PolarHBondContact NH2-OE1 2.9Å; R514-E518 WeakPolarHBondContact O-CB 3.45Å; R514-E518 PolarHBondContact O-N 3.13Å; R514-M550 HydrophobicContact CB-CE 4.27Å; R514-F553 VanDerWaalsContact CZ-CD2 3.41Å
515	E	96.4	Very high	96.7	Very high	144 Å²	144	39.5 Å²	39.5	67%	0.673	20%	0.199	S	C	*	.	H	α-helix	trans	-61.7	-40.7	-179	-169.8	-178.5	155.6	0	0	111.2	T481 Q513 E518 F519	T481-E515 HydrophobicContact CG2-CG 4.35Å; Q513-E515 PolarHBondContact O-N 3.31Å; E515-E518 PolarHBondContact O-N 2.92Å; E515-F519 WeakPolarHBondContact O-CB 3.21Å; E515-F519 PolarHBondContact O-N 2.89Å
516	T	97.5	Very high	96.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-42.6	177.2	-48.6	0	0	0	0	111.9	A476 G479 T481 A508 Q513 R514 F519 L520	A476-T516 HydrophobicContact CB-CG2 4.33Å; G479-T516 VanDerWaalsContact C-OG1 3.28Å; G479-T516 VanDerWaalsContact CA-OG1 3.29Å; G479-T516 WeakPolarHBondContact CA-OG1 3.26Å; G479-T516 PolarHBondContact O-OG1 3.15Å; T481-T516 WeakPolarHBondContact OG1-CA 3.3Å; T481-T516 PolarHBondContact OG1-N 3.28Å; T481-T516 PolarHBondContact OG1-OG1 3.13Å; A508-T516 HydrophobicContact CB-CG2 4.11Å; Q513-T516 PolarHBondContact O-N 2.91Å; R514-T516 VanDerWaalsContact C-N 3.28Å; R514-T516 PolarHBondContact O-N 3.17Å; T516-F519 WeakPolarHBondContact O-CB 3.21Å; T516-F519 PolarHBondContact O-N 2.74Å; T516-L520 HydrophobicContact CG2-CD1 4.09Å; T516-L520 HydrophobicContact CG2-CG 4.33Å; T516-L520 WeakPolarHBondContact O-CB 3.3Å; T516-L520 VanDerWaalsContact O-CG 3.24Å; T516-L520 WeakPolarHBondContact O-CG 3.11Å; T516-L520 PolarHBondContact O-N 2.88Å
517	V	97.8	Very high	96.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-45.4	173.9	174.4	0	0	0	0	110.9	L505 A508 A509 Q513 R514 F519 L520 L521 M550 F553 L554	L505-V517 HydrophobicContact CD1-CB 4.45Å; L505-V517 HydrophobicContact CD1-CG1 3.91Å; L505-V517 HydrophobicContact CD1-CG2 4.46Å; A508-V517 HydrophobicContact CB-CG2 3.56Å; A509-V517 HydrophobicContact CB-CG2 4.3Å; Q513-V517 WeakPolarHBondContact O-CG2 3.35Å; Q513-V517 PolarHBondContact O-N 3.08Å; R514-V517 PolarHBondContact O-N 3.12Å; V517-F519 VanDerWaalsContact C-N 3.29Å; V517-F519 PolarHBondContact O-N 3.26Å; V517-L520 PolarHBondContact O-N 3.17Å; V517-L521 HydrophobicContact CG1-CD1 3.89Å; V517-L521 HydrophobicContact CG1-CG 4.4Å; V517-L521 WeakPolarHBondContact O-CB 3.2Å; V517-L521 VanDerWaalsContact O-CG 3.26Å; V517-L521 WeakPolarHBondContact O-CG 3.47Å; V517-L521 PolarHBondContact O-N 2.67Å; V517-M550 HydrophobicContact CB-CE 4.06Å; V517-M550 HydrophobicContact CB-SD 4.05Å; V517-M550 HydrophobicContact CG1-SD 3.96Å; V517-M550 HydrophobicContact CG2-CE 3.55Å; V517-M550 HydrophobicContact CG2-SD 3.84Å; V517-F553 HydrophobicContact CG1-CD1 4.44Å; V517-F553 HydrophobicContact CG1-CE1 3.89Å; V517-L554 HydrophobicContact CG1-CD2 3.95Å
518	E	97	Very high	96.2	Very high	46 Å²	46	46 Å²	46	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-57.5	-41.4	173.8	-82.6	-169.8	-143.9	0	0	112	R514 E515 R522 F553	R514-E518 IonicContact CZ-OE1 2.63Å; R514-E518 VanDerWaalsContact CZ-OE1 3.31Å; R514-E518 IonicContact NE-OE1 2.74Å; R514-E518 PolarHBondContact NE-OE1 3.14Å; R514-E518 IonicContact NH2-OE1 2.69Å; R514-E518 PolarHBondContact NH2-OE1 2.9Å; R514-E518 WeakPolarHBondContact O-CB 3.45Å; R514-E518 PolarHBondContact O-N 3.13Å; E515-E518 PolarHBondContact O-N 2.92Å; E518-R522 WeakPolarHBondContact O-CB 3.43Å; E518-R522 WeakPolarHBondContact O-CD 3.49Å; E518-R522 WeakPolarHBondContact O-CG 3.45Å; E518-R522 PolarHBondContact O-N 3.47Å; E518-R522 VanDerWaalsContact O-N 3.13Å; E518-R522 IonicContact OE2-CZ 2.64Å; E518-R522 IonicContact OE2-NH2 2.69Å; E518-R522 PolarHBondContact OE2-NH2 3.49Å; E518-F553 HydrophobicContact CG-CE1 3.92Å; E518-F553 HydrophobicContact CG-CE2 3.92Å; E518-F553 HydrophobicContact CG-CZ 3.28Å
519	F	97.7	Very high	95.9	Very high	25 Å²	25	48 Å²	48	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-49	177	172.7	-92.5	0	0	0	113.1	T481 C484 E485 L488 E515 T516 V517 L521 R522 K523	T481-F519 HydrophobicContact CG2-CB 3.52Å; T481-F519 HydrophobicContact CG2-CD1 4.11Å; T481-F519 HydrophobicContact CG2-CD2 3.84Å; T481-F519 HydrophobicContact CG2-CG 3.57Å; C484-F519 HydrophobicContact CB-CD1 4.18Å; C484-F519 HydrophobicContact CB-CE1 3.78Å; E485-F519 HydrophobicContact CB-CE2 3.93Å; E485-F519 HydrophobicContact CB-CZ 3.54Å; E485-F519 HydrophobicContact CG-CE2 4.3Å; E485-F519 HydrophobicContact CG-CZ 4.12Å; L488-F519 HydrophobicContact CD1-CE1 3.82Å; L488-F519 HydrophobicContact CD1-CZ 4.19Å; E515-F519 WeakPolarHBondContact O-CB 3.21Å; E515-F519 PolarHBondContact O-N 2.89Å; T516-F519 WeakPolarHBondContact O-CB 3.21Å; T516-F519 PolarHBondContact O-N 2.74Å; V517-F519 VanDerWaalsContact C-N 3.29Å; V517-F519 PolarHBondContact O-N 3.26Å; F519-L521 VanDerWaalsContact C-N 3.34Å; F519-L521 PolarHBondContact O-N 3.14Å; F519-R522 PolarHBondContact O-N 2.93Å; F519-R522 VanDerWaalsContact O-N 3.14Å; F519-K523 HydrophobicContact CD1-CG 4.35Å; F519-K523 HydrophobicContact CE1-CG 3.94Å; F519-K523 HydrophobicContact CE2-CD 4.45Å; F519-K523 HydrophobicContact CE2-CG 4.29Å; F519-K523 HydrophobicContact CZ-CD 4.19Å; F519-K523 HydrophobicContact CZ-CG 3.9Å; F519-K523 WeakPolarHBondContact O-CG 3.42Å; F519-K523 PolarHBondContact O-N 2.95Å
520	L	97.5	Very high	95.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-42.3	-179.2	-67.8	172.9	0	0	0	111.3	M472 A476 L494 A504 L505 A508 T516 V517 R522 K523 G524 A525	M472-L520 HydrophobicContact CE-CD2 3.42Å; M472-L520 VanDerWaalsContact CE-CD2 3.42Å; A476-L520 HydrophobicContact CB-CD1 4.3Å; L494-L520 HydrophobicContact CD1-CD2 3.64Å; A504-L520 HydrophobicContact CB-CD1 4.22Å; L505-L520 HydrophobicContact CB-CD1 4.41Å; L505-L520 HydrophobicContact CD1-CB 4Å; L505-L520 HydrophobicContact CD1-CD1 4.34Å; A508-L520 HydrophobicContact CB-CD1 4.17Å; T516-L520 HydrophobicContact CG2-CD1 4.09Å; T516-L520 HydrophobicContact CG2-CG 4.33Å; T516-L520 WeakPolarHBondContact O-CB 3.3Å; T516-L520 VanDerWaalsContact O-CG 3.24Å; T516-L520 WeakPolarHBondContact O-CG 3.11Å; T516-L520 PolarHBondContact O-N 2.88Å; V517-L520 PolarHBondContact O-N 3.17Å; L520-R522 PolarHBondContact O-N 3.18Å; L520-K523 CarbonylContact O-C 3.58Å; L520-K523 PolarHBondContact O-N 3.39Å; L520-G524 PolarHBondContact O-N 3.02Å; L520-A525 HydrophobicContact CB-CB 4.09Å; L520-A525 VanDerWaalsContact O-CB 3.24Å; L520-A525 WeakPolarHBondContact O-CB 3.48Å; L520-A525 PolarHBondContact O-N 2.85Å
521	L	96.5	Very high	95.5	Very high	35 Å²	35	49.3 Å²	49.3	18%	0.183	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-41.2	173.8	-68	172.9	0	0	0	111.9	L505 V517 F519 K523 G524 A525 L527 F553 I557	L505-L521 HydrophobicContact CD1-CD2 4.1Å; L505-L521 HydrophobicContact CD1-CG 4.05Å; L505-L521 HydrophobicContact CD2-CD2 3.89Å; V517-L521 HydrophobicContact CG1-CD1 3.89Å; V517-L521 HydrophobicContact CG1-CG 4.4Å; V517-L521 WeakPolarHBondContact O-CB 3.2Å; V517-L521 VanDerWaalsContact O-CG 3.26Å; V517-L521 WeakPolarHBondContact O-CG 3.47Å; V517-L521 PolarHBondContact O-N 2.67Å; F519-L521 VanDerWaalsContact C-N 3.34Å; F519-L521 PolarHBondContact O-N 3.14Å; L521-K523 VanDerWaalsContact C-N 3.29Å; L521-K523 PolarHBondContact O-N 3.42Å; L521-G524 PolarHBondContact O-N 2.91Å; L521-A525 WeakPolarHBondContact CD2-O 3.38Å; L521-L527 HydrophobicContact CD1-CD1 4.45Å; L521-L527 HydrophobicContact CD2-CB 3.99Å; L521-L527 HydrophobicContact CD2-CD1 4.1Å; L521-F553 HydrophobicContact CD1-CE1 4.41Å; L521-I557 HydrophobicContact CD1-CD1 4.19Å
522	R	96.5	Very high	95.2	Very high	162 Å²	162	53.8 Å²	53.8	61%	0.611	27%	0.269	S	S	*	.	H	α-helix	trans	-66.4	-26.2	174.5	-70.8	168.2	-161.2	179	8.7	113.5	E518 F519 L520 G524	E518-R522 WeakPolarHBondContact O-CB 3.43Å; E518-R522 WeakPolarHBondContact O-CD 3.49Å; E518-R522 WeakPolarHBondContact O-CG 3.45Å; E518-R522 PolarHBondContact O-N 3.47Å; E518-R522 VanDerWaalsContact O-N 3.13Å; E518-R522 IonicContact OE2-CZ 2.64Å; E518-R522 IonicContact OE2-NH2 2.69Å; E518-R522 PolarHBondContact OE2-NH2 3.49Å; F519-R522 PolarHBondContact O-N 2.93Å; F519-R522 VanDerWaalsContact O-N 3.14Å; L520-R522 PolarHBondContact O-N 3.18Å; R522-G524 VanDerWaalsContact C-N 3.29Å
523	K	96.9	Very high	94.7	Very high	97 Å²	97	57.6 Å²	57.6	42%	0.422	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.3	171.1	-63.6	-70.8	-173.2	178	0	113.1	E485 L488 L494 F519 L520 L521	E485-K523 WeakPolarHBondContact OE1-CE 3.35Å; E485-K523 IonicContact OE1-NZ 2.65Å; E485-K523 PolarHBondContact OE1-NZ 3.34Å; L488-K523 HydrophobicContact CD1-CB 4.2Å; L488-K523 HydrophobicContact CD1-CD 4.27Å; L488-K523 HydrophobicContact CD1-CG 3.84Å; L494-K523 HydrophobicContact CD1-CB 4.4Å; L494-K523 HydrophobicContact CD2-CB 4.17Å; L494-K523 WeakPolarHBondContact CD2-O 3.29Å; F519-K523 HydrophobicContact CD1-CG 4.35Å; F519-K523 HydrophobicContact CE1-CG 3.94Å; F519-K523 HydrophobicContact CE2-CD 4.45Å; F519-K523 HydrophobicContact CE2-CG 4.29Å; F519-K523 HydrophobicContact CZ-CD 4.19Å; F519-K523 HydrophobicContact CZ-CG 3.9Å; F519-K523 WeakPolarHBondContact O-CG 3.42Å; F519-K523 PolarHBondContact O-N 2.95Å; L520-K523 CarbonylContact O-C 3.58Å; L520-K523 PolarHBondContact O-N 3.39Å; L521-K523 VanDerWaalsContact C-N 3.29Å; L521-K523 PolarHBondContact O-N 3.42Å
524	G	95.3	Very high	94.3	Very high	45 Å²	45	57.5 Å²	57.5	46%	0.464	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.1	14.4	172.7	0	0	0	0	0	115.8	L520 L521 R522	L520-G524 PolarHBondContact O-N 3.02Å; L521-G524 PolarHBondContact O-N 2.91Å; R522-G524 VanDerWaalsContact C-N 3.29Å
525	A	96.5	Very high	93.9	Very high	10 Å²	10	54.7 Å²	54.7	8%	0.083	28%	0.278	C	S	.	.			trans	-64.1	139.6	-176.9	0	0	0	0	0	112.7	L494 E495 L505 L520 L521 L527	L494-A525 HydrophobicContact CD1-CB 4.26Å; L494-A525 HydrophobicContact CD2-CB 4.13Å; L494-A525 HydrophobicContact CG-CB 4.12Å; E495-A525 VanDerWaalsContact OE1-CA 3.23Å; E495-A525 WeakPolarHBondContact OE1-CA 3.49Å; L505-A525 HydrophobicContact CB-CB 4.35Å; L505-A525 HydrophobicContact CD1-CB 4.48Å; L505-A525 HydrophobicContact CD2-CB 4Å; L520-A525 HydrophobicContact CB-CB 4.09Å; L520-A525 VanDerWaalsContact O-CB 3.24Å; L520-A525 WeakPolarHBondContact O-CB 3.48Å; L520-A525 PolarHBondContact O-N 2.85Å; L521-A525 WeakPolarHBondContact CD2-O 3.38Å; A525-L527 PolarHBondContact O-N 2.83Å; A525-L527 VanDerWaalsContact O-N 3.12Å
526	N	94.2	Very high	93.6	Very high	80 Å²	80	49.3 Å²	49.3	43%	0.428	25%	0.252	S	S	.	.			trans	-79.8	96.5	-175.3	-178.1	4	0	0	0	111.9	E495 N528 L529	E495-N526 PolarHBondContact OE1-N 3.05Å; N526-N528 PolarHBondContact O-N 3.39Å; N526-N528 VanDerWaalsContact O-N 3.07Å; N526-N528 PolarHBondContact OD1-N 3.09Å; N526-L529 HydrophobicContact CB-CB 4.02Å; N526-L529 WeakPolarHBondContact O-CB 3.39Å; N526-L529 PolarHBondContact O-N 3.44Å; N526-L529 PolarHBondContact OD1-N 3.34Å
527	L	93.6	Very high	93.4	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.099	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-37.2	176.7	-176.5	61.1	0	0	0	115.4	L521 A525 L554 I557 A559	L521-L527 HydrophobicContact CD1-CD1 4.45Å; L521-L527 HydrophobicContact CD2-CB 3.99Å; L521-L527 HydrophobicContact CD2-CD1 4.1Å; A525-L527 PolarHBondContact O-N 2.83Å; A525-L527 VanDerWaalsContact O-N 3.12Å; L527-L554 HydrophobicContact CD1-CD2 3.52Å; L527-I557 HydrophobicContact CD2-CB 4.41Å; L527-I557 HydrophobicContact CD2-CG2 3.78Å; L527-A559 HydrophobicContact CD1-CB 4.02Å; L527-A559 HydrophobicContact CD2-CB 4.02Å; L527-A559 HydrophobicContact CG-CB 3.89Å
528	N	90.2	Very high	93.3	Very high	71 Å²	71	49.4 Å²	49.4	38%	0.38	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	18.1	-174.4	-67.8	-55.5	0	0	0	112.6	N526 A559 D560	N526-N528 PolarHBondContact O-N 3.39Å; N526-N528 VanDerWaalsContact O-N 3.07Å; N526-N528 PolarHBondContact OD1-N 3.09Å; N528-A559 WeakPolarHBondContact OD1-CA 3.29Å; N528-D560 PolarHBondContact OD1-N 2.99Å
529	L	92.1	Very high	93.2	Very high	43 Å²	43	47.3 Å²	47.3	23%	0.225	24%	0.244	C	C	.	.			trans	-65.3	143.3	167.3	-173.3	58.4	0	0	0	110	E495 T503 M506 N526	E495-L529 VanDerWaalsContact OE2-CD2 3.32Å; E495-L529 WeakPolarHBondContact OE2-CD2 3.47Å; T503-L529 HydrophobicContact CG2-CD2 3.79Å; M506-L529 HydrophobicContact CE-CB 4.44Å; M506-L529 HydrophobicContact CE-CG 4.32Å; M506-L529 WeakPolarHBondContact CE-O 3.29Å; N526-L529 HydrophobicContact CB-CB 4.02Å; N526-L529 WeakPolarHBondContact O-CB 3.39Å; N526-L529 PolarHBondContact O-N 3.44Å; N526-L529 PolarHBondContact OD1-N 3.34Å
530	A	91.6	Very high	93	Very high	24 Å²	24	46.2 Å²	46.2	20%	0.198	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-113.2	159	174.2	0	0	0	0	0	110.8	Q497 N534 Q536 T537	Q497-A530 PolarHBondContact NE2-O 3.05Å; A530-N534 WeakPolarHBondContact CB-OD1 3.48Å; A530-Q536 CarbonylContact C-O 3.56Å; A530-Q536 VanDerWaalsContact CA-O 3.31Å; A530-Q536 WeakPolarHBondContact CA-O 3.29Å; A530-T537 HydrophobicContact CB-CG2 4.08Å
531	T	92.5	Very high	92.8	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.043	24%	0.24	C	C	.	.			trans	-63.6	164.5	169.2	57.4	0	0	0	0	111.8	V500 R502 M506 D533 N534 D535 Q536	V500-T531 WeakPolarHBondContact O-CB 3.45Å; V500-T531 WeakPolarHBondContact O-CG2 3.42Å; R502-T531 HydrophobicContact CG-CG2 4.06Å; M506-T531 HydrophobicContact CE-CG2 4.24Å; M506-T531 HydrophobicContact SD-CG2 3.76Å; T531-D533 VanDerWaalsContact C-N 3.31Å; T531-D533 PolarHBondContact O-N 3.15Å; T531-N534 WeakPolarHBondContact O-CA 3.38Å; T531-N534 PolarHBondContact O-N 3.12Å; T531-D535 WeakPolarHBondContact OG1-CB 3.34Å; T531-D535 PolarHBondContact OG1-N 3.07Å; T531-Q536 HydrophobicContact CG2-CB 3.85Å; T531-Q536 PolarHBondContact N-O 3.29Å; T531-Q536 PolarHBondContact OG1-N 3.17Å; T531-Q536 VanDerWaalsContact OG1-N 3.12Å
532	F	89.7	Confident	92.8	Very high	129 Å²	129	44.6 Å²	44.6	57%	0.566	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-42.9	-175.5	-57.5	-49.2	0	0	0	113.8	Q497 G498 G501 N534	Q497-F532 HydrophobicContact CB-CE1 4.02Å; Q497-F532 HydrophobicContact CB-CE2 4.34Å; Q497-F532 HydrophobicContact CB-CZ 3.58Å; Q497-F532 HydrophobicContact CG-CE1 4.41Å; Q497-F532 HydrophobicContact CG-CZ 4.43Å; Q497-F532 VanDerWaalsContact OE1-CE1 3.25Å; G498-F532 WeakPolarHBondContact O-CE2 3.42Å; G501-F532 VanDerWaalsContact CA-CD2 3.44Å; F532-N534 VanDerWaalsContact C-N 3.27Å; F532-N534 PolarHBondContact O-N 3.36Å
533	D	87.6	Confident	92.7	Very high	103 Å²	103	36.9 Å²	36.9	55%	0.551	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-6.5	177.2	-89	18.4	0	0	0	113.6	T531 D535 K566	T531-D533 VanDerWaalsContact C-N 3.31Å; T531-D533 PolarHBondContact O-N 3.15Å; D533-D535 VanDerWaalsContact CB-OD1 3.27Å; D533-D535 WeakPolarHBondContact CB-OD1 3.49Å; D533-K566 HydrophobicContact CB-CD 4.3Å; D533-K566 WeakPolarHBondContact O-CB 3.34Å; D533-K566 IonicContact OD2-NZ 2.88Å; D533-K566 PolarHBondContact OD2-NZ 3.43Å
534	N	88.3	Confident	92.5	Very high	56 Å²	56	33.2 Å²	33.2	30%	0.299	19%	0.191	S	C	.	.	S	Bend	trans	59.8	42.8	-164.9	-176.4	56.9	0	0	0	112.7	A530 T531 F532 R564 L565 K566	A530-N534 WeakPolarHBondContact CB-OD1 3.48Å; T531-N534 WeakPolarHBondContact O-CA 3.38Å; T531-N534 PolarHBondContact O-N 3.12Å; F532-N534 VanDerWaalsContact C-N 3.27Å; F532-N534 PolarHBondContact O-N 3.36Å; N534-R564 PolarHBondContact ND2-O 3.25Å; N534-L565 CarbonylContact O-C 3.37Å; N534-L565 WeakPolarHBondContact O-CA 3.49Å; N534-L565 WeakPolarHBondContact O-CB 3.44Å; N534-K566 PolarHBondContact O-N 2.85Å
535	D	86.9	Confident	92.5	Very high	51 Å²	51	35.4 Å²	35.4	27%	0.273	19%	0.192	S	C	.	.			trans	-82.6	-31.1	176.2	-77.9	14.2	0	0	0	113.2	T531 D533 L565 K566	T531-D535 WeakPolarHBondContact OG1-CB 3.34Å; T531-D535 PolarHBondContact OG1-N 3.07Å; D533-D535 VanDerWaalsContact CB-OD1 3.27Å; D533-D535 WeakPolarHBondContact CB-OD1 3.49Å; D535-L565 WeakPolarHBondContact O-CD1 3.33Å; D535-K566 WeakPolarHBondContact OD1-CD 3.34Å; D535-K566 WeakPolarHBondContact OD1-CE 3.43Å; D535-K566 WeakPolarHBondContact OD1-CG 3.42Å; D535-K566 IonicContact OD1-NZ 2.72Å; D535-K566 PolarHBondContact OD1-NZ 2.68Å; D535-K566 IonicContact OD2-NZ 2.7Å; D535-K566 PolarHBondContact OD2-NZ 3.11Å
536	Q	90.1	Very high	92.4	Very high	31 Å²	31	36 Å²	36	15%	0.145	20%	0.199	C	C	.	.			trans	-153.5	141.8	-167	-169.7	160.6	58.2	0	0	111.9	A530 T531 S540 A541	A530-Q536 CarbonylContact C-O 3.56Å; A530-Q536 VanDerWaalsContact CA-O 3.31Å; A530-Q536 WeakPolarHBondContact CA-O 3.29Å; T531-Q536 HydrophobicContact CG2-CB 3.85Å; T531-Q536 PolarHBondContact N-O 3.29Å; T531-Q536 PolarHBondContact OG1-N 3.17Å; T531-Q536 VanDerWaalsContact OG1-N 3.12Å; Q536-S540 WeakPolarHBondContact CA-OG 3.37Å; Q536-A541 HydrophobicContact CG-CB 3.83Å
537	T	93.8	Very high	92.4	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-120.7	173	166.1	65.8	0	0	0	0	108.8	A530 L539 S540 A541 V563	A530-T537 HydrophobicContact CB-CG2 4.08Å; T537-L539 PolarHBondContact O-N 3.25Å; T537-L539 PolarHBondContact OG1-N 3.4Å; T537-S540 PolarHBondContact N-OG 3.2Å; T537-S540 PolarHBondContact O-N 2.68Å; T537-S540 PolarHBondContact OG1-N 3.2Å; T537-A541 WeakPolarHBondContact O-CB 3.3Å; T537-A541 PolarHBondContact O-N 3.4Å; T537-V563 HydrophobicContact CG2-CG1 4.09Å
538	A	94.7	Very high	92.4	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-57.6	-39.3	174.2	0	0	0	0	0	112.3	L505 A509 A542	L505-A538 HydrophobicContact CD2-CB 4.32Å; L505-A538 HydrophobicContact CG-CB 4.18Å; A509-A538 HydrophobicContact CB-CB 4.02Å; A509-A538 WeakPolarHBondContact CB-O 3.48Å; A538-A542 PolarHBondContact O-N 3.46Å; A538-A542 VanDerWaalsContact O-N 3.14Å
539	L	94.7	Very high	92.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-45.6	176.9	-178.3	64	0	0	0	112.3	T537 A541 A542 C543 V551 L554 L555 A559 P561 C571	T537-L539 PolarHBondContact O-N 3.25Å; T537-L539 PolarHBondContact OG1-N 3.4Å; L539-A541 VanDerWaalsContact C-N 3.32Å; L539-A541 PolarHBondContact O-N 2.88Å; L539-A542 PolarHBondContact O-N 3.38Å; L539-C543 PolarHBondContact O-N 2.91Å; L539-C543 PolarHBondContact O-SG 3.42Å; L539-V551 HydrophobicContact CD1-CG1 4.16Å; L539-L554 HydrophobicContact CD1-CB 4.01Å; L539-L554 HydrophobicContact CD1-CD1 4.41Å; L539-L555 HydrophobicContact CD1-CD2 4.19Å; L539-L555 HydrophobicContact CD1-CG 4.02Å; L539-L555 HydrophobicContact CD2-CD2 3.81Å; L539-A559 HydrophobicContact CB-CB 3.98Å; L539-A559 HydrophobicContact CD2-CB 3.99Å; L539-A559 HydrophobicContact CG-CB 4.39Å; L539-P561 HydrophobicContact CD2-CB 4.2Å; L539-C571 HydrophobicContact CG-CB 4.49Å
540	S	93.7	Very high	92.8	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	20%	0.201	C	C	.	.	H	α-helix	trans	-71.3	-28	-179.9	76.9	0	0	0	0	112.7	Q536 T537 C543 G544	Q536-S540 WeakPolarHBondContact CA-OG 3.37Å; T537-S540 PolarHBondContact N-OG 3.2Å; T537-S540 PolarHBondContact O-N 2.68Å; T537-S540 PolarHBondContact OG1-N 3.2Å; S540-C543 PolarHBondContact O-N 2.82Å; S540-G544 PolarHBondContact O-N 3.05Å
541	A	93.5	Very high	92.9	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.017	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-48.5	168.2	0	0	0	0	0	112.2	Q536 T537 L539 C543 N545	Q536-A541 HydrophobicContact CG-CB 3.83Å; T537-A541 WeakPolarHBondContact O-CB 3.3Å; T537-A541 PolarHBondContact O-N 3.4Å; L539-A541 VanDerWaalsContact C-N 3.32Å; L539-A541 PolarHBondContact O-N 2.88Å; A541-C543 VanDerWaalsContact C-N 3.3Å; A541-C543 PolarHBondContact O-N 3.4Å; A541-N545 WeakPolarHBondContact O-CB 3.19Å; A541-N545 PolarHBondContact O-N 3.15Å
542	A	96.2	Very high	93	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-38.1	175.3	0	0	0	0	0	112	A538 L539 G546 Q547 M550 V551 L554	A538-A542 PolarHBondContact O-N 3.46Å; A538-A542 VanDerWaalsContact O-N 3.14Å; L539-A542 PolarHBondContact O-N 3.38Å; A542-G546 PolarHBondContact O-N 3.12Å; A542-Q547 HydrophobicContact CB-CB 4.2Å; A542-Q547 WeakPolarHBondContact O-CB 3.31Å; A542-Q547 PolarHBondContact O-N 3Å; A542-M550 HydrophobicContact CB-CB 4.14Å; A542-M550 HydrophobicContact CB-CG 3.81Å; A542-V551 HydrophobicContact CB-CG2 3.74Å; A542-L554 HydrophobicContact CB-CD1 3.92Å
543	C	94.5	Very high	93.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.1	-48.8	178.6	-65.2	0	0	0	0	113.1	L539 S540 A541 N545 G546 V551 C571 A575 H580 V583	L539-C543 PolarHBondContact O-N 2.91Å; L539-C543 PolarHBondContact O-SG 3.42Å; S540-C543 PolarHBondContact O-N 2.82Å; A541-C543 VanDerWaalsContact C-N 3.3Å; A541-C543 PolarHBondContact O-N 3.4Å; C543-N545 PolarHBondContact O-N 3.24Å; C543-G546 PolarHBondContact O-N 2.96Å; C543-G546 VanDerWaalsContact O-N 3.15Å; C543-V551 HydrophobicContact CB-CG2 4.43Å; C543-V551 VanDerWaalsContact SG-CG2 3.55Å; C543-C571 HydrophobicContact CB-CB 4.31Å; C543-C571 WeakPolarHBondContact CB-O 3.09Å; C543-A575 HydrophobicContact CB-CB 4.28Å; C543-H580 PolarHBondContact O-CD2 2.91Å; C543-H580 VanDerWaalsContact O-CD2 3.32Å; C543-V583 HydrophobicContact CB-CG1 4.4Å
544	G	93.4	Very high	93.6	Very high	19 Å²	19	24.6 Å²	24.6	20%	0.196	15%	0.148	C	C	.	.	H	α-helix	trans	-66.4	-21.8	179.7	0	0	0	0	0	114	S540 H580	S540-G544 PolarHBondContact O-N 3.05Å; G544-H580 PolarHBondContact O-CD2 3.49Å; G544-H580 VanDerWaalsContact O-CD2 3.31Å; G544-H580 PolarHBondContact O-NE2 3.33Å
545	N	94.1	Very high	93.8	Very high	91 Å²	91	22.5 Å²	22.5	49%	0.487	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	7.1	175.3	-69.1	7.3	0	0	0	113.7	G510 A541 C543 Q547	G510-N545 VanDerWaalsContact O-CB 3.31Å; G510-N545 WeakPolarHBondContact O-CB 3.44Å; G510-N545 PolarHBondContact O-ND2 3.1Å; A541-N545 WeakPolarHBondContact O-CB 3.19Å; A541-N545 PolarHBondContact O-N 3.15Å; C543-N545 PolarHBondContact O-N 3.24Å; N545-Q547 VanDerWaalsContact C-N 3.3Å; N545-Q547 HydrophobicContact CB-CG 4.1Å; N545-Q547 PolarHBondContact O-N 2.83Å
546	G	94.3	Very high	94	Very high	22 Å²	22	25.9 Å²	25.9	23%	0.227	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	13.9	173.7	0	0	0	0	0	115.8	A542 C543 L548 H580	A542-G546 PolarHBondContact O-N 3.12Å; C543-G546 PolarHBondContact O-N 2.96Å; C543-G546 VanDerWaalsContact O-N 3.15Å; G546-L548 VanDerWaalsContact C-N 3.25Å; G546-L548 PolarHBondContact O-N 3.42Å; G546-H580 WeakPolarHBondContact CA-ND1 3.42Å; G546-H580 PolarHBondContact N-CD2 2.7Å; G546-H580 VanDerWaalsContact N-CD2 3.34Å; G546-H580 PolarHBondContact N-NE2 3.01Å
547	Q	94.7	Very high	94	Very high	63 Å²	63	28.6 Å²	28.6	29%	0.294	17%	0.166	S	C	.	.			trans	-76.7	64	-170.8	-62.4	-69.1	-4.5	0	0	112.5	G510 A542 N545 A549 M550 V551	G510-Q547 WeakPolarHBondContact O-CG 3.33Å; G510-Q547 PolarHBondContact O-NE2 3.43Å; A542-Q547 HydrophobicContact CB-CB 4.2Å; A542-Q547 WeakPolarHBondContact O-CB 3.31Å; A542-Q547 PolarHBondContact O-N 3Å; N545-Q547 VanDerWaalsContact C-N 3.3Å; N545-Q547 HydrophobicContact CB-CG 4.1Å; N545-Q547 PolarHBondContact O-N 2.83Å; Q547-A549 VanDerWaalsContact C-N 3.32Å; Q547-A549 PolarHBondContact O-N 3.09Å; Q547-A549 VanDerWaalsContact O-N 3.15Å; Q547-M550 HydrophobicContact CB-CB 3.86Å; Q547-M550 CarbonylContact O-C 3.6Å; Q547-M550 WeakPolarHBondContact O-CA 3.39Å; Q547-M550 WeakPolarHBondContact O-CB 3.14Å; Q547-M550 PolarHBondContact O-N 3.27Å; Q547-V551 WeakPolarHBondContact O-CG2 3.48Å; Q547-V551 PolarHBondContact O-N 3.11Å
548	L	94	Very high	93.8	Very high	49 Å²	49	30.7 Å²	30.7	26%	0.257	19%	0.188	S	C	.	.	H	α-helix	trans	-48	-46.3	-171.5	178.8	61.1	0	0	0	114.3	G546 M550 V551 D552 R582 V583 Y586	G546-L548 VanDerWaalsContact C-N 3.25Å; G546-L548 PolarHBondContact O-N 3.42Å; L548-M550 VanDerWaalsContact C-N 3.28Å; L548-M550 PolarHBondContact O-N 2.76Å; L548-V551 PolarHBondContact O-N 2.92Å; L548-D552 PolarHBondContact O-N 3.09Å; L548-R582 HydrophobicContact CD2-CB 4.37Å; L548-V583 HydrophobicContact CB-CG2 3.97Å; L548-V583 HydrophobicContact CD1-CG2 4.24Å; L548-Y586 HydrophobicContact CD1-CD1 4.27Å; L548-Y586 HydrophobicContact CD1-CD2 3.93Å; L548-Y586 HydrophobicContact CD1-CG 3.64Å
549	A	94.2	Very high	93.6	Very high	73 Å²	73	30.8 Å²	30.8	60%	0.603	19%	0.189	S	C	*	.	H	α-helix	trans	-69.8	-23.2	179.9	0	0	0	0	0	113.6	Q547 F553	Q547-A549 VanDerWaalsContact C-N 3.32Å; Q547-A549 PolarHBondContact O-N 3.09Å; Q547-A549 VanDerWaalsContact O-N 3.15Å; A549-F553 WeakPolarHBondContact O-CB 3.48Å; A549-F553 PolarHBondContact O-N 3.02Å
550	M	96	Very high	93.1	Very high	5 Å²	5	34 Å²	34	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-81.3	-39.5	170.7	-174.5	66.2	71.2	0	0	111	A509 G512 R514 V517 A542 Q547 L548 F553 L554	A509-M550 HydrophobicContact CB-CG 4.27Å; G512-M550 WeakPolarHBondContact O-CE 3.24Å; R514-M550 HydrophobicContact CB-CE 4.27Å; V517-M550 HydrophobicContact CB-CE 4.06Å; V517-M550 HydrophobicContact CB-SD 4.05Å; V517-M550 HydrophobicContact CG1-SD 3.96Å; V517-M550 HydrophobicContact CG2-CE 3.55Å; V517-M550 HydrophobicContact CG2-SD 3.84Å; A542-M550 HydrophobicContact CB-CB 4.14Å; A542-M550 HydrophobicContact CB-CG 3.81Å; Q547-M550 HydrophobicContact CB-CB 3.86Å; Q547-M550 CarbonylContact O-C 3.6Å; Q547-M550 WeakPolarHBondContact O-CA 3.39Å; Q547-M550 WeakPolarHBondContact O-CB 3.14Å; Q547-M550 PolarHBondContact O-N 3.27Å; L548-M550 VanDerWaalsContact C-N 3.28Å; L548-M550 PolarHBondContact O-N 2.76Å; M550-F553 PolarHBondContact O-N 3.46Å; M550-F553 HydrophobicContact SD-CD1 3.98Å; M550-L554 HydrophobicContact CG-CD1 3.72Å; M550-L554 HydrophobicContact CG-CG 4.09Å; M550-L554 WeakPolarHBondContact O-CB 3.47Å; M550-L554 VanDerWaalsContact O-CG 3.22Å; M550-L554 WeakPolarHBondContact O-CG 3.47Å; M550-L554 PolarHBondContact O-N 3Å; M550-L554 HydrophobicContact SD-CD1 4.26Å; M550-L554 HydrophobicContact SD-CD2 4.42Å; M550-L554 HydrophobicContact SD-CG 4.11Å
551	V	95.1	Very high	92.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-50.3	176.9	173.7	0	0	0	0	110.8	L539 A542 C543 Q547 L548 F553 L554 L555 V583 L587	L539-V551 HydrophobicContact CD1-CG1 4.16Å; A542-V551 HydrophobicContact CB-CG2 3.74Å; C543-V551 HydrophobicContact CB-CG2 4.43Å; C543-V551 VanDerWaalsContact SG-CG2 3.55Å; Q547-V551 WeakPolarHBondContact O-CG2 3.48Å; Q547-V551 PolarHBondContact O-N 3.11Å; L548-V551 PolarHBondContact O-N 2.92Å; V551-F553 PolarHBondContact O-N 2.85Å; V551-L554 PolarHBondContact O-N 2.84Å; V551-L555 HydrophobicContact CG1-CD1 3.81Å; V551-L555 HydrophobicContact CG1-CG 4.49Å; V551-L555 WeakPolarHBondContact O-CB 3.49Å; V551-L555 WeakPolarHBondContact O-CD1 3.33Å; V551-L555 WeakPolarHBondContact O-CG 3.41Å; V551-L555 PolarHBondContact O-N 3.39Å; V551-V583 HydrophobicContact CG1-CG1 4.27Å; V551-V583 HydrophobicContact CG2-CG1 4.07Å; V551-L587 HydrophobicContact CG1-CD2 4.02Å; V551-L587 HydrophobicContact CG1-CG 4.44Å
552	D	94	Very high	92.1	Very high	37 Å²	37	42 Å²	42	20%	0.198	24%	0.244	C	C	.	.	H	α-helix	trans	-52.1	-53.3	171.8	168.9	49.5	0	0	0	111.6	L548 L554 L555 Q556 Y586	L548-D552 PolarHBondContact O-N 3.09Å; D552-L554 PolarHBondContact O-N 2.89Å; D552-L555 PolarHBondContact O-N 3.31Å; D552-Q556 WeakPolarHBondContact O-CG 3.48Å; D552-Q556 PolarHBondContact O-N 3.13Å; D552-Q556 PolarHBondContact OD1-NE2 3.48Å; D552-Q556 PolarHBondContact OD2-NE2 2.81Å; D552-Y586 HydrophobicContact CB-CE1 4.09Å; D552-Y586 PolarHBondContact OD1-OH 3.02Å
553	F	94.6	Very high	91.4	Very high	11 Å²	11	43.6 Å²	43.6	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-43.9	-178.3	173.2	-109.5	0	0	0	113.9	R514 V517 E518 L521 A549 M550 V551 Q556 I557	R514-F553 VanDerWaalsContact CZ-CD2 3.41Å; V517-F553 HydrophobicContact CG1-CD1 4.44Å; V517-F553 HydrophobicContact CG1-CE1 3.89Å; E518-F553 HydrophobicContact CG-CE1 3.92Å; E518-F553 HydrophobicContact CG-CE2 3.92Å; E518-F553 HydrophobicContact CG-CZ 3.28Å; L521-F553 HydrophobicContact CD1-CE1 4.41Å; A549-F553 WeakPolarHBondContact O-CB 3.48Å; A549-F553 PolarHBondContact O-N 3.02Å; M550-F553 PolarHBondContact O-N 3.46Å; M550-F553 HydrophobicContact SD-CD1 3.98Å; V551-F553 PolarHBondContact O-N 2.85Å; F553-Q556 PolarHBondContact O-N 3.3Å; F553-I557 HydrophobicContact CD2-CD1 4.32Å; F553-I557 HydrophobicContact CE1-CD1 4.01Å; F553-I557 HydrophobicContact CE2-CD1 3.45Å; F553-I557 VanDerWaalsContact CE2-CD1 3.45Å; F553-I557 HydrophobicContact CE2-CG1 4.18Å; F553-I557 HydrophobicContact CZ-CD1 3.23Å; F553-I557 HydrophobicContact CZ-CG1 4.32Å; F553-I557 PolarHBondContact O-N 2.96Å
554	L	94.6	Very high	91	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.1	-38.3	177.8	-67.4	170.7	0	0	0	111.5	A509 V517 L527 L539 A542 M550 V551 D552 I557 G558 A559	A509-L554 HydrophobicContact CB-CD1 4.09Å; V517-L554 HydrophobicContact CG1-CD2 3.95Å; L527-L554 HydrophobicContact CD1-CD2 3.52Å; L539-L554 HydrophobicContact CD1-CB 4.01Å; L539-L554 HydrophobicContact CD1-CD1 4.41Å; A542-L554 HydrophobicContact CB-CD1 3.92Å; M550-L554 HydrophobicContact CG-CD1 3.72Å; M550-L554 HydrophobicContact CG-CG 4.09Å; M550-L554 WeakPolarHBondContact O-CB 3.47Å; M550-L554 VanDerWaalsContact O-CG 3.22Å; M550-L554 WeakPolarHBondContact O-CG 3.47Å; M550-L554 PolarHBondContact O-N 3Å; M550-L554 HydrophobicContact SD-CD1 4.26Å; M550-L554 HydrophobicContact SD-CD2 4.42Å; M550-L554 HydrophobicContact SD-CG 4.11Å; V551-L554 PolarHBondContact O-N 2.84Å; D552-L554 PolarHBondContact O-N 2.89Å; L554-I557 PolarHBondContact O-N 2.72Å; L554-G558 PolarHBondContact O-N 2.69Å; L554-A559 HydrophobicContact CB-CB 4.03Å; L554-A559 VanDerWaalsContact O-CB 3.28Å; L554-A559 WeakPolarHBondContact O-CB 3.41Å; L554-A559 PolarHBondContact O-N 3.18Å
555	L	92.3	Very high	90.7	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-40.1	174.7	-70.5	168.8	0	0	0	112.1	L539 V551 D552 I557 G558 P561 Y586 L587 W590	L539-L555 HydrophobicContact CD1-CD2 4.19Å; L539-L555 HydrophobicContact CD1-CG 4.02Å; L539-L555 HydrophobicContact CD2-CD2 3.81Å; V551-L555 HydrophobicContact CG1-CD1 3.81Å; V551-L555 HydrophobicContact CG1-CG 4.49Å; V551-L555 WeakPolarHBondContact O-CB 3.49Å; V551-L555 WeakPolarHBondContact O-CD1 3.33Å; V551-L555 WeakPolarHBondContact O-CG 3.41Å; V551-L555 PolarHBondContact O-N 3.39Å; D552-L555 PolarHBondContact O-N 3.31Å; L555-I557 VanDerWaalsContact C-N 3.26Å; L555-I557 PolarHBondContact O-N 3.2Å; L555-G558 PolarHBondContact O-N 3.37Å; L555-P561 HydrophobicContact CD2-CB 3.97Å; L555-P561 HydrophobicContact CD2-CG 4Å; L555-Y586 HydrophobicContact CD1-CE1 4.26Å; L555-L587 HydrophobicContact CD1-CD2 3.89Å; L555-W590 HydrophobicContact CB-CH2 3.78Å; L555-W590 HydrophobicContact CB-CZ2 3.65Å; L555-W590 HydrophobicContact CB-CZ3 4.28Å; L555-W590 HydrophobicContact CD1-CD2 4.07Å; L555-W590 HydrophobicContact CD1-CE3 4.23Å; L555-W590 HydrophobicContact CD1-CG 4.43Å
556	Q	90.8	Very high	90.4	Very high	122 Å²	122	52.1 Å²	52.1	57%	0.57	28%	0.277	S	S	*	.	H	α-helix	trans	-61.1	-32.5	174.9	-74.1	178.1	21.1	0	0	113	D552 F553 W590	D552-Q556 WeakPolarHBondContact O-CG 3.48Å; D552-Q556 PolarHBondContact O-N 3.13Å; D552-Q556 PolarHBondContact OD1-NE2 3.48Å; D552-Q556 PolarHBondContact OD2-NE2 2.81Å; F553-Q556 PolarHBondContact O-N 3.3Å; Q556-W590 HydrophobicContact CG-CH2 4.35Å
557	I	90.7	Very high	89.9	Confident	89 Å²	89	55.9 Å²	55.9	46%	0.456	29%	0.292	S	S	.	.	H	α-helix	trans	-83.9	-11.3	176.1	-66.3	-172.7	0	0	0	112.5	L521 L527 F553 L554 L555	L521-I557 HydrophobicContact CD1-CD1 4.19Å; L527-I557 HydrophobicContact CD2-CB 4.41Å; L527-I557 HydrophobicContact CD2-CG2 3.78Å; F553-I557 HydrophobicContact CD2-CD1 4.32Å; F553-I557 HydrophobicContact CE1-CD1 4.01Å; F553-I557 HydrophobicContact CE2-CD1 3.45Å; F553-I557 VanDerWaalsContact CE2-CD1 3.45Å; F553-I557 HydrophobicContact CE2-CG1 4.18Å; F553-I557 HydrophobicContact CZ-CD1 3.23Å; F553-I557 HydrophobicContact CZ-CG1 4.32Å; F553-I557 PolarHBondContact O-N 2.96Å; L554-I557 PolarHBondContact O-N 2.72Å; L555-I557 VanDerWaalsContact C-N 3.26Å; L555-I557 PolarHBondContact O-N 3.2Å
558	G	89.2	Confident	89.5	Confident	46 Å²	46	54.3 Å²	54.3	47%	0.474	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	33.3	176.4	0	0	0	0	0	114.7	L554 L555	L554-G558 PolarHBondContact O-N 2.69Å; L555-G558 PolarHBondContact O-N 3.37Å
559	A	91.2	Very high	89.1	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.033	28%	0.283	C	S	.	.			trans	-63.4	137.2	160	0	0	0	0	0	109.5	L527 N528 L539 L554 P561	L527-A559 HydrophobicContact CD1-CB 4.02Å; L527-A559 HydrophobicContact CD2-CB 4.02Å; L527-A559 HydrophobicContact CG-CB 3.89Å; N528-A559 WeakPolarHBondContact OD1-CA 3.29Å; L539-A559 HydrophobicContact CB-CB 3.98Å; L539-A559 HydrophobicContact CD2-CB 3.99Å; L539-A559 HydrophobicContact CG-CB 4.39Å; L554-A559 HydrophobicContact CB-CB 4.03Å; L554-A559 VanDerWaalsContact O-CB 3.28Å; L554-A559 WeakPolarHBondContact O-CB 3.41Å; L554-A559 PolarHBondContact O-N 3.18Å; A559-P561 WeakPolarHBondContact O-CD 3.34Å
560	D	84.1	Confident	88.9	Confident	69 Å²	69	50.1 Å²	50.1	37%	0.369	26%	0.263	S	S	.	.			trans	-85.3	111.6	-173.6	179.4	19.9	0	0	0	112.6	N528 K562 V563	N528-D560 PolarHBondContact OD1-N 2.99Å; D560-K562 PolarHBondContact O-N 3.35Å; D560-K562 WeakPolarHBondContact OD1-CA 3.33Å; D560-K562 VanDerWaalsContact OD1-CB 3.24Å; D560-K562 WeakPolarHBondContact OD1-CB 3.33Å; D560-K562 PolarHBondContact OD1-N 3.07Å; D560-V563 HydrophobicContact CB-CG2 3.97Å; D560-V563 WeakPolarHBondContact O-CG2 3.32Å
561	P	84	Confident	88.5	Confident	39 Å²	39	50 Å²	50	25%	0.253	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-11.7	175.8	30.9	-35.7	0	0	0	113.5	L539 L555 A559	L539-P561 HydrophobicContact CD2-CB 4.2Å; L555-P561 HydrophobicContact CD2-CB 3.97Å; L555-P561 HydrophobicContact CD2-CG 4Å; A559-P561 WeakPolarHBondContact O-CD 3.34Å
562	K	81.1	Confident	88.3	Confident	132 Å²	132	52.6 Å²	52.6	57%	0.574	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.8	-176.5	-54.2	-170.1	173.9	-167.5	0	113.3	D560 R564 E592	D560-K562 PolarHBondContact O-N 3.35Å; D560-K562 WeakPolarHBondContact OD1-CA 3.33Å; D560-K562 VanDerWaalsContact OD1-CB 3.24Å; D560-K562 WeakPolarHBondContact OD1-CB 3.33Å; D560-K562 PolarHBondContact OD1-N 3.07Å; K562-R564 PolarHBondContact O-N 3.15Å; K562-E592 WeakPolarHBondContact CE-OE1 3.5Å; K562-E592 IonicContact NZ-OE1 2.74Å; K562-E592 PolarHBondContact NZ-OE1 3.38Å
563	V	82.2	Confident	88.1	Confident	33 Å²	33	54.7 Å²	54.7	20%	0.2	29%	0.287	C	S	.	.			trans	-53.8	128.9	168.9	177.4	0	0	0	0	109.4	T537 D560 L565	T537-V563 HydrophobicContact CG2-CG1 4.09Å; D560-V563 HydrophobicContact CB-CG2 3.97Å; D560-V563 WeakPolarHBondContact O-CG2 3.32Å; V563-L565 HydrophobicContact CG1-CD2 4.46Å
564	R	86	Confident	87.9	Confident	160 Å²	160	55.8 Å²	55.8	60%	0.604	29%	0.292	S	S	*	.			trans	-102.7	132.9	170.3	-69.3	-172.3	-179.6	-82.2	-3.2	109.7	N534 K562 G568 S569	N534-R564 PolarHBondContact ND2-O 3.25Å; K562-R564 PolarHBondContact O-N 3.15Å; R564-G568 PolarHBondContact NH1-O 3.35Å; R564-S569 CarbonylContact C-O 3.6Å; R564-S569 VanDerWaalsContact CA-O 3.3Å; R564-S569 WeakPolarHBondContact CA-O 3.37Å
565	L	88.4	Confident	87.8	Confident	9 Å²	9	55.8 Å²	55.8	5%	0.047	29%	0.292	C	S	.	.			trans	-82.2	177.3	178.5	-51	173.1	0	0	0	110.2	N534 D535 V563 D567 G568 S569 E574	N534-L565 CarbonylContact O-C 3.37Å; N534-L565 WeakPolarHBondContact O-CA 3.49Å; N534-L565 WeakPolarHBondContact O-CB 3.44Å; D535-L565 WeakPolarHBondContact O-CD1 3.33Å; V563-L565 HydrophobicContact CG1-CD2 4.46Å; L565-D567 PolarHBondContact O-N 3.48Å; L565-D567 VanDerWaalsContact O-N 3.1Å; L565-G568 WeakPolarHBondContact O-CA 3.48Å; L565-G568 PolarHBondContact O-N 3.2Å; L565-S569 PolarHBondContact N-O 2.91Å; L565-E574 HydrophobicContact CD1-CG 3.41Å; L565-E574 VanDerWaalsContact CD1-CG 3.41Å
566	K	86.5	Confident	87.9	Confident	121 Å²	121	57.9 Å²	57.9	53%	0.526	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.7	-170.3	81.1	165.5	160.7	-128.2	0	115.9	D533 N534 D535 G568	D533-K566 HydrophobicContact CB-CD 4.3Å; D533-K566 WeakPolarHBondContact O-CB 3.34Å; D533-K566 IonicContact OD2-NZ 2.88Å; D533-K566 PolarHBondContact OD2-NZ 3.43Å; N534-K566 PolarHBondContact O-N 2.85Å; D535-K566 WeakPolarHBondContact OD1-CD 3.34Å; D535-K566 WeakPolarHBondContact OD1-CE 3.43Å; D535-K566 WeakPolarHBondContact OD1-CG 3.42Å; D535-K566 IonicContact OD1-NZ 2.72Å; D535-K566 PolarHBondContact OD1-NZ 2.68Å; D535-K566 IonicContact OD2-NZ 2.7Å; D535-K566 PolarHBondContact OD2-NZ 3.11Å; K566-G568 VanDerWaalsContact C-N 3.32Å
567	D	85	Confident	87.9	Confident	100 Å²	100	57.7 Å²	57.7	54%	0.535	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	3.5	177.9	69.8	-6.1	0	0	0	113.3	L565 S569 K577	L565-D567 PolarHBondContact O-N 3.48Å; L565-D567 VanDerWaalsContact O-N 3.1Å; D567-S569 WeakPolarHBondContact OD1-CB 3.19Å; D567-S569 PolarHBondContact OD1-N 3.01Å; D567-S569 PolarHBondContact OD1-OG 3.44Å; D567-S569 PolarHBondContact OD2-OG 2.71Å; D567-K577 IonicContact OD1-NZ 2.72Å; D567-K577 IonicContact OD2-NZ 3.22Å; D567-K577 PolarHBondContact OD2-NZ 3.34Å
568	G	85.1	Confident	87.8	Confident	30 Å²	30	55.2 Å²	55.2	31%	0.309	30%	0.304	S	S	.	.	S	Bend	trans	87.8	-3	-175.6	0	0	0	0	0	114.7	R564 L565 K566	R564-G568 PolarHBondContact NH1-O 3.35Å; L565-G568 WeakPolarHBondContact O-CA 3.48Å; L565-G568 PolarHBondContact O-N 3.2Å; K566-G568 VanDerWaalsContact C-N 3.32Å
569	S	86.4	Confident	88	Confident	10 Å²	10	54.5 Å²	54.5	7%	0.07	30%	0.298	C	S	.	.			trans	-64	144.6	-179.6	-60.7	0	0	0	0	112.3	R564 L565 D567 E574 K577	R564-S569 CarbonylContact C-O 3.6Å; R564-S569 VanDerWaalsContact CA-O 3.3Å; R564-S569 WeakPolarHBondContact CA-O 3.37Å; L565-S569 PolarHBondContact N-O 2.91Å; D567-S569 WeakPolarHBondContact OD1-CB 3.19Å; D567-S569 PolarHBondContact OD1-N 3.01Å; D567-S569 PolarHBondContact OD1-OG 3.44Å; D567-S569 PolarHBondContact OD2-OG 2.71Å; S569-E574 WeakPolarHBondContact CB-OE1 3.48Å; S569-E574 PolarHBondContact OG-OE1 3.2Å; S569-K577 PolarHBondContact OG-NZ 2.94Å
570	S	88.6	Confident	88.1	Confident	24 Å²	24	56.9 Å²	56.9	17%	0.168	31%	0.308	C	S	.	.			trans	-100.1	172.1	168.6	59.1	0	0	0	0	110.3	L572 L573 E574	S570-L572 PolarHBondContact O-N 3Å; S570-L572 VanDerWaalsContact O-N 3.11Å; S570-L573 WeakPolarHBondContact O-CA 3.3Å; S570-L573 WeakPolarHBondContact O-CB 3.39Å; S570-L573 PolarHBondContact O-N 3.14Å; S570-E574 PolarHBondContact O-N 3.14Å
571	C	88.6	Confident	88.6	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.014	32%	0.316	C	S	.	.	H	α-helix	trans	-54.4	-31.9	175.4	-63.1	0	0	0	0	113.2	L539 C543 E574 A575 L587	L539-C571 HydrophobicContact CG-CB 4.49Å; C543-C571 HydrophobicContact CB-CB 4.31Å; C543-C571 WeakPolarHBondContact CB-O 3.09Å; C571-E574 PolarHBondContact O-N 3.42Å; C571-A575 PolarHBondContact O-N 2.88Å; C571-L587 HydrophobicContact CB-CD1 4.4Å
572	L	90.3	Very high	89	Confident	56 Å²	56	63 Å²	63	29%	0.293	33%	0.33	S	S	.	.	H	α-helix	trans	-63.8	-38.5	172.9	-178.3	69.8	0	0	0	112.7	S570 A576 V584 L587 L588	S570-L572 PolarHBondContact O-N 3Å; S570-L572 VanDerWaalsContact O-N 3.11Å; L572-A576 WeakPolarHBondContact O-CB 3.42Å; L572-A576 PolarHBondContact O-N 3.33Å; L572-V584 HydrophobicContact CD1-CB 4.41Å; L572-V584 HydrophobicContact CD1-CG1 3.92Å; L572-V584 WeakPolarHBondContact CD1-O 3.45Å; L572-L587 HydrophobicContact CB-CD1 4.43Å; L572-L587 HydrophobicContact CD1-CB 3.75Å; L572-L588 HydrophobicContact CD1-CD2 4.2Å; L572-L588 HydrophobicContact CD1-CG 3.95Å; L572-L588 HydrophobicContact CD2-CD2 3.94Å
573	L	90.6	Very high	89.6	Confident	80 Å²	80	56.8 Å²	56.8	42%	0.419	30%	0.304	S	S	.	.	H	α-helix	trans	-75.8	-33.6	177.7	-76.4	165.8	0	0	0	111.8	S570 A576 K577	S570-L573 WeakPolarHBondContact O-CA 3.3Å; S570-L573 WeakPolarHBondContact O-CB 3.39Å; S570-L573 PolarHBondContact O-N 3.14Å; L573-A576 PolarHBondContact O-N 2.94Å; L573-K577 WeakPolarHBondContact O-CB 3.45Å; L573-K577 VanDerWaalsContact O-CG 3.27Å; L573-K577 WeakPolarHBondContact O-CG 3.13Å; L573-K577 PolarHBondContact O-N 3.35Å
574	E	90.5	Very high	90.1	Very high	35 Å²	35	56.8 Å²	56.8	16%	0.164	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-43.4	170.7	-61.6	-44.1	118.3	0	0	112.1	L565 S569 S570 C571 A576 K577 G578	L565-E574 HydrophobicContact CD1-CG 3.41Å; L565-E574 VanDerWaalsContact CD1-CG 3.41Å; S569-E574 WeakPolarHBondContact CB-OE1 3.48Å; S569-E574 PolarHBondContact OG-OE1 3.2Å; S570-E574 PolarHBondContact O-N 3.14Å; C571-E574 PolarHBondContact O-N 3.42Å; E574-A576 VanDerWaalsContact C-N 3.28Å; E574-A576 PolarHBondContact O-N 3.09Å; E574-K577 PolarHBondContact O-N 3.45Å; E574-K577 WeakPolarHBondContact OE1-CE 3.35Å; E574-K577 IonicContact OE1-NZ 3.17Å; E574-K577 PolarHBondContact OE1-NZ 2.87Å; E574-K577 WeakPolarHBondContact OE2-CD 3.29Å; E574-K577 IonicContact OE2-NZ 3.91Å; E574-K577 PolarHBondContact OE2-NZ 3.11Å; E574-G578 PolarHBondContact O-N 3.21Å
575	A	92.9	Very high	90.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-39.9	172.6	0	0	0	0	0	111.8	C543 C571 G579 H580 V583 V584 L587	C543-A575 HydrophobicContact CB-CB 4.28Å; C571-A575 PolarHBondContact O-N 2.88Å; A575-G579 PolarHBondContact O-N 3Å; A575-H580 WeakPolarHBondContact O-CB 3.43Å; A575-H580 PolarHBondContact O-N 3.04Å; A575-V583 HydrophobicContact CB-CB 4.06Å; A575-V583 HydrophobicContact CB-CG1 3.73Å; A575-V584 HydrophobicContact CB-CG2 3.68Å; A575-L587 HydrophobicContact CB-CD1 4.17Å
576	A	93.5	Very high	90.5	Very high	54 Å²	54	57.6 Å²	57.6	45%	0.446	31%	0.312	S	S	.	.	H	α-helix	trans	-70.2	-41	177.1	0	0	0	0	0	113.2	L572 L573 E574 G578 G579 V584	L572-A576 WeakPolarHBondContact O-CB 3.42Å; L572-A576 PolarHBondContact O-N 3.33Å; L573-A576 PolarHBondContact O-N 2.94Å; E574-A576 VanDerWaalsContact C-N 3.28Å; E574-A576 PolarHBondContact O-N 3.09Å; A576-G578 VanDerWaalsContact C-N 3.27Å; A576-G578 PolarHBondContact O-N 2.97Å; A576-G579 PolarHBondContact O-N 2.88Å; A576-V584 HydrophobicContact CB-CG2 4.02Å
577	K	90.5	Very high	90.7	Very high	118 Å²	118	53.1 Å²	53.1	51%	0.513	29%	0.293	S	S	.	.	H	α-helix	trans	-57.9	-39.4	173.7	-77.3	167.7	177.1	176	0	111.8	D567 S569 L573 E574 G579	D567-K577 IonicContact OD1-NZ 2.72Å; D567-K577 IonicContact OD2-NZ 3.22Å; D567-K577 PolarHBondContact OD2-NZ 3.34Å; S569-K577 PolarHBondContact OG-NZ 2.94Å; L573-K577 WeakPolarHBondContact O-CB 3.45Å; L573-K577 VanDerWaalsContact O-CG 3.27Å; L573-K577 WeakPolarHBondContact O-CG 3.13Å; L573-K577 PolarHBondContact O-N 3.35Å; E574-K577 PolarHBondContact O-N 3.45Å; E574-K577 WeakPolarHBondContact OE1-CE 3.35Å; E574-K577 IonicContact OE1-NZ 3.17Å; E574-K577 PolarHBondContact OE1-NZ 2.87Å; E574-K577 WeakPolarHBondContact OE2-CD 3.29Å; E574-K577 IonicContact OE2-NZ 3.91Å; E574-K577 PolarHBondContact OE2-NZ 3.11Å; K577-G579 VanDerWaalsContact C-N 3.29Å; K577-G579 PolarHBondContact O-N 3.39Å
578	G	88.9	Confident	90.8	Very high	37 Å²	37	53.8 Å²	53.8	38%	0.381	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.5	176	0	0	0	0	0	115.2	E574 A576 H580	E574-G578 PolarHBondContact O-N 3.21Å; A576-G578 VanDerWaalsContact C-N 3.27Å; A576-G578 PolarHBondContact O-N 2.97Å; G578-H580 VanDerWaalsContact C-N 3.29Å; G578-H580 PolarHBondContact O-CE1 2.96Å; G578-H580 PolarHBondContact O-N 3.26Å; G578-H580 PolarHBondContact O-NE2 2.99Å
579	G	92.6	Very high	90.9	Very high	32 Å²	32	57.7 Å²	57.7	33%	0.33	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	14.3	-177	0	0	0	0	0	114.7	A575 A576 K577 T581	A575-G579 PolarHBondContact O-N 3Å; A576-G579 PolarHBondContact O-N 2.88Å; K577-G579 VanDerWaalsContact C-N 3.29Å; K577-G579 PolarHBondContact O-N 3.39Å; G579-T581 VanDerWaalsContact C-N 3.28Å; G579-T581 PolarHBondContact O-N 3.24Å
580	H	95.2	Very high	90.6	Very high	54 Å²	54	60.8 Å²	60.8	25%	0.25	32%	0.32	C	S	.	.			trans	-81	66.2	-170.4	-58.1	-57	0	0	0	112.5	C543 G544 G546 A575 G578 R582 V583 V584	C543-H580 PolarHBondContact O-CD2 2.91Å; C543-H580 VanDerWaalsContact O-CD2 3.32Å; G544-H580 PolarHBondContact O-CD2 3.49Å; G544-H580 VanDerWaalsContact O-CD2 3.31Å; G544-H580 PolarHBondContact O-NE2 3.33Å; G546-H580 WeakPolarHBondContact CA-ND1 3.42Å; G546-H580 PolarHBondContact N-CD2 2.7Å; G546-H580 VanDerWaalsContact N-CD2 3.34Å; G546-H580 PolarHBondContact N-NE2 3.01Å; A575-H580 WeakPolarHBondContact O-CB 3.43Å; A575-H580 PolarHBondContact O-N 3.04Å; G578-H580 VanDerWaalsContact C-N 3.29Å; G578-H580 PolarHBondContact O-CE1 2.96Å; G578-H580 PolarHBondContact O-N 3.26Å; G578-H580 PolarHBondContact O-NE2 2.99Å; H580-R582 PolarHBondContact O-N 3.11Å; H580-R582 VanDerWaalsContact O-N 3.09Å; H580-V583 HydrophobicContact CB-CB 4.05Å; H580-V583 HydrophobicContact CB-CG2 4.17Å; H580-V583 WeakPolarHBondContact O-CA 3.49Å; H580-V583 PolarHBondContact O-N 3.07Å; H580-V584 PolarHBondContact O-N 3.23Å
581	T	93.9	Very high	89.5	Confident	87 Å²	87	63.2 Å²	63.2	53%	0.534	34%	0.335	S	S	.	.	H	α-helix	trans	-44.6	-43.6	-176.9	52.8	0	0	0	0	114	G579 V583 V584 Q585	G579-T581 VanDerWaalsContact C-N 3.28Å; G579-T581 PolarHBondContact O-N 3.24Å; T581-V583 PolarHBondContact O-N 3.05Å; T581-V584 PolarHBondContact O-N 3.01Å; T581-Q585 WeakPolarHBondContact O-CB 3.29Å; T581-Q585 PolarHBondContact O-N 3.46Å
582	R	93.1	Very high	87.9	Confident	148 Å²	148	70.6 Å²	70.6	56%	0.558	37%	0.37	S	S	*	.	H	α-helix	trans	-67.5	-33.4	179.2	-65.7	177.4	61.6	171.6	-4.9	113.2	L548 H580 Y586 D813	L548-R582 HydrophobicContact CD2-CB 4.37Å; H580-R582 PolarHBondContact O-N 3.11Å; H580-R582 VanDerWaalsContact O-N 3.09Å; R582-Y586 WeakPolarHBondContact O-CB 3.28Å; R582-Y586 PolarHBondContact O-N 2.83Å; R582-Y586 VanDerWaalsContact O-N 3.1Å; R582-D813 IonicContact CZ-OD2 3.38Å; R582-D813 IonicContact NH1-OD2 3.46Å; R582-D813 PolarHBondContact NH1-OD2 2.82Å
583	V	92.7	Very high	85.4	Confident	3 Å²	3	72.3 Å²	72.3	2%	0.018	39%	0.386	C	S	.	.	H	α-helix	trans	-77.3	-39.5	173.5	-179.2	0	0	0	0	110.8	C543 L548 V551 A575 H580 T581 Q585 Y586 L587	C543-V583 HydrophobicContact CB-CG1 4.4Å; L548-V583 HydrophobicContact CB-CG2 3.97Å; L548-V583 HydrophobicContact CD1-CG2 4.24Å; V551-V583 HydrophobicContact CG1-CG1 4.27Å; V551-V583 HydrophobicContact CG2-CG1 4.07Å; A575-V583 HydrophobicContact CB-CB 4.06Å; A575-V583 HydrophobicContact CB-CG1 3.73Å; H580-V583 HydrophobicContact CB-CB 4.05Å; H580-V583 HydrophobicContact CB-CG2 4.17Å; H580-V583 WeakPolarHBondContact O-CA 3.49Å; H580-V583 PolarHBondContact O-N 3.07Å; T581-V583 PolarHBondContact O-N 3.05Å; V583-Q585 VanDerWaalsContact C-N 3.35Å; V583-Q585 PolarHBondContact O-N 2.7Å; V583-Y586 PolarHBondContact O-N 3.49Å; V583-L587 HydrophobicContact CG1-CD1 3.89Å; V583-L587 HydrophobicContact CG1-CG 4.31Å; V583-L587 WeakPolarHBondContact O-CB 3.16Å; V583-L587 VanDerWaalsContact O-CG 3.31Å; V583-L587 WeakPolarHBondContact O-CG 3.38Å; V583-L587 PolarHBondContact O-N 3.1Å
584	V	92.5	Very high	83	Confident	32 Å²	32	73.4 Å²	73.4	19%	0.194	40%	0.401	C	S	.	.	H	α-helix	trans	-57.9	-47.9	173	172.9	0	0	0	0	110.5	L572 A575 A576 H580 T581 L587 L588	L572-V584 HydrophobicContact CD1-CB 4.41Å; L572-V584 HydrophobicContact CD1-CG1 3.92Å; L572-V584 WeakPolarHBondContact CD1-O 3.45Å; A575-V584 HydrophobicContact CB-CG2 3.68Å; A576-V584 HydrophobicContact CB-CG2 4.02Å; H580-V584 PolarHBondContact O-N 3.23Å; T581-V584 PolarHBondContact O-N 3.01Å; V584-L587 PolarHBondContact O-N 3.04Å; V584-L588 HydrophobicContact CG1-CD1 4.08Å; V584-L588 VanDerWaalsContact O-CG 3.3Å; V584-L588 WeakPolarHBondContact O-CG 3.27Å; V584-L588 PolarHBondContact O-N 3.15Å
585	Q	92	Very high	80.4	Confident	118 Å²	118	75.7 Å²	75.7	55%	0.551	43%	0.433	S	S	*	.	H	α-helix	trans	-60	-49.3	174.8	-179.9	177.2	-4.4	0	0	111.2	T581 V583 L587 L588 D589	T581-Q585 WeakPolarHBondContact O-CB 3.29Å; T581-Q585 PolarHBondContact O-N 3.46Å; V583-Q585 VanDerWaalsContact C-N 3.35Å; V583-Q585 PolarHBondContact O-N 2.7Å; Q585-L587 VanDerWaalsContact C-N 3.26Å; Q585-L587 PolarHBondContact O-N 2.71Å; Q585-L588 WeakPolarHBondContact O-CB 3.4Å; Q585-L588 PolarHBondContact O-N 3.37Å; Q585-D589 VanDerWaalsContact CG-OD2 3.27Å; Q585-D589 WeakPolarHBondContact CG-OD2 3.14Å; Q585-D589 PolarHBondContact NE2-OD2 2.86Å; Q585-D589 VanDerWaalsContact NE2-OD2 3.15Å; Q585-D589 PolarHBondContact O-N 2.91Å
586	Y	91.9	Very high	77.4	Confident	69 Å²	69	79.9 Å²	79.9	27%	0.271	46%	0.463	S	S	.	.	H	α-helix	trans	-57.9	-39.2	-179.6	-165.7	-90.1	0	0	0	112.8	L548 D552 L555 R582 V583 L588 W590	L548-Y586 HydrophobicContact CD1-CD1 4.27Å; L548-Y586 HydrophobicContact CD1-CD2 3.93Å; L548-Y586 HydrophobicContact CD1-CG 3.64Å; D552-Y586 HydrophobicContact CB-CE1 4.09Å; D552-Y586 PolarHBondContact OD1-OH 3.02Å; L555-Y586 HydrophobicContact CD1-CE1 4.26Å; R582-Y586 WeakPolarHBondContact O-CB 3.28Å; R582-Y586 PolarHBondContact O-N 2.83Å; R582-Y586 VanDerWaalsContact O-N 3.1Å; V583-Y586 PolarHBondContact O-N 3.49Å; Y586-L588 VanDerWaalsContact C-N 3.35Å; Y586-W590 AromaticContact CE1-CE3 3.6Å; Y586-W590 HydrophobicContact CE1-CE3 3.6Å; Y586-W590 AromaticContact CE1-CZ3 3.97Å; Y586-W590 HydrophobicContact CE1-CZ3 3.97Å; Y586-W590 AromaticContact CZ-CE3 3.95Å; Y586-W590 WeakPolarHBondContact O-CB 3.22Å; Y586-W590 PolarHBondContact O-N 3.45Å; Y586-W590 WeakPolarHBondContact OH-CZ3 3.48Å
587	L	89.4	Confident	74.2	Confident	26 Å²	26	82.1 Å²	82.1	14%	0.136	48%	0.481	C	S	.	.	H	α-helix	trans	-74.5	-19.2	176.4	-69.4	171.7	0	0	0	114.1	V551 L555 C571 L572 A575 V583 V584 Q585	V551-L587 HydrophobicContact CG1-CD2 4.02Å; V551-L587 HydrophobicContact CG1-CG 4.44Å; L555-L587 HydrophobicContact CD1-CD2 3.89Å; C571-L587 HydrophobicContact CB-CD1 4.4Å; L572-L587 HydrophobicContact CB-CD1 4.43Å; L572-L587 HydrophobicContact CD1-CB 3.75Å; A575-L587 HydrophobicContact CB-CD1 4.17Å; V583-L587 HydrophobicContact CG1-CD1 3.89Å; V583-L587 HydrophobicContact CG1-CG 4.31Å; V583-L587 WeakPolarHBondContact O-CB 3.16Å; V583-L587 VanDerWaalsContact O-CG 3.31Å; V583-L587 WeakPolarHBondContact O-CG 3.38Å; V583-L587 PolarHBondContact O-N 3.1Å; V584-L587 PolarHBondContact O-N 3.04Å; Q585-L587 VanDerWaalsContact C-N 3.26Å; Q585-L587 PolarHBondContact O-N 2.71Å
588	L	88.5	Confident	71.3	Confident	114 Å²	114	79.9 Å²	79.9	60%	0.597	49%	0.485	S	S	*	.	H	α-helix	trans	-84.4	-37.3	171.4	-71.8	169.5	0	0	0	112	L572 V584 Q585 Y586 W590	L572-L588 HydrophobicContact CD1-CD2 4.2Å; L572-L588 HydrophobicContact CD1-CG 3.95Å; L572-L588 HydrophobicContact CD2-CD2 3.94Å; V584-L588 HydrophobicContact CG1-CD1 4.08Å; V584-L588 VanDerWaalsContact O-CG 3.3Å; V584-L588 WeakPolarHBondContact O-CG 3.27Å; V584-L588 PolarHBondContact O-N 3.15Å; Q585-L588 WeakPolarHBondContact O-CB 3.4Å; Q585-L588 PolarHBondContact O-N 3.37Å; Y586-L588 VanDerWaalsContact C-N 3.35Å; L588-W590 VanDerWaalsContact C-N 3.31Å
589	D	86.8	Confident	68.4	Low	112 Å²	112	86.3 Å²	86.3	60%	0.599	51%	0.505	S	S	*	.	H	α-helix	trans	-78.4	-14.9	177.5	-70.1	-26.6	0	0	0	112.1	Q585 P591	Q585-D589 VanDerWaalsContact CG-OD2 3.27Å; Q585-D589 WeakPolarHBondContact CG-OD2 3.14Å; Q585-D589 PolarHBondContact NE2-OD2 2.86Å; Q585-D589 VanDerWaalsContact NE2-OD2 3.15Å; Q585-D589 PolarHBondContact O-N 2.91Å; D589-P591 WeakPolarHBondContact O-CD 3.48Å
590	W	79.6	Confident	65.4	Low	76 Å²	76	95.7 Å²	95.7	29%	0.288	53%	0.532	S	S	.	.	S	Bend	trans	-68.7	115.7	178.7	-172.6	-95.6	0	0	0	112.2	L555 Q556 Y586 L588	L555-W590 HydrophobicContact CB-CH2 3.78Å; L555-W590 HydrophobicContact CB-CZ2 3.65Å; L555-W590 HydrophobicContact CB-CZ3 4.28Å; L555-W590 HydrophobicContact CD1-CD2 4.07Å; L555-W590 HydrophobicContact CD1-CE3 4.23Å; L555-W590 HydrophobicContact CD1-CG 4.43Å; Q556-W590 HydrophobicContact CG-CH2 4.35Å; Y586-W590 AromaticContact CE1-CE3 3.6Å; Y586-W590 HydrophobicContact CE1-CE3 3.6Å; Y586-W590 AromaticContact CE1-CZ3 3.97Å; Y586-W590 HydrophobicContact CE1-CZ3 3.97Å; Y586-W590 AromaticContact CZ-CE3 3.95Å; Y586-W590 WeakPolarHBondContact O-CB 3.22Å; Y586-W590 PolarHBondContact O-N 3.45Å; Y586-W590 WeakPolarHBondContact OH-CZ3 3.48Å; L588-W590 VanDerWaalsContact C-N 3.31Å
591	P	66.1	Low	62.2	Low	75 Å²	75	99.7 Å²	99.7	49%	0.487	56%	0.555	S	S	.	*			trans	-80.5	141.9	-168.8	32.1	-35.9	0	0	0	113	D589 S593	D589-P591 WeakPolarHBondContact O-CD 3.48Å; P591-S593 PolarHBondContact O-N 2.69Å
592	E	54.7	Low	59.1	Low	157 Å²	157	99.9 Å²	99.9	73%	0.734	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-68.9	16.8	174.1	-60	-155.7	98.1	0	0	114.5	K562 S594	K562-E592 WeakPolarHBondContact CE-OE1 3.5Å; K562-E592 IonicContact NZ-OE1 2.74Å; K562-E592 PolarHBondContact NZ-OE1 3.38Å; E592-S594 PolarHBondContact O-N 2.84Å
593	S	37.8	Very low	55.9	Low	91 Å²	91	98.5 Å²	98.5	64%	0.636	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-87.8	4	-165.7	57.3	0	0	0	0	115.8	P591 G595	P591-S593 PolarHBondContact O-N 2.69Å; S593-G595 PolarHBondContact O-N 2.81Å
594	S	40.6	Very low	52.8	Low	104 Å²	104	103 Å²	103	73%	0.727	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-77.2	12.3	174	55.5	0	0	0	0	114.1	E592 S596	E592-S594 PolarHBondContact O-N 2.84Å; S594-S596 PolarHBondContact O-N 2.89Å
595	G	35.2	Very low	49.9	Very low	82 Å²	82	107.2 Å²	107.2	85%	0.845	63%	0.628	S	S	*	*			trans	-65.6	18.6	176.2	0	0	0	0	0	116.4	S593	S593-G595 PolarHBondContact O-N 2.81Å
596	S	29.3	Very low	46.9	Very low	89 Å²	89	108.7 Å²	108.7	62%	0.622	64%	0.638	S	S	*	*	S	Bend	trans	-143.6	141.6	168.3	68.3	0	0	0	0	109.7	S594 A598	S594-S596 PolarHBondContact O-N 2.89Å; S596-A598 PolarHBondContact O-N 3.44Å
597	A	26.9	Very low	43.9	Very low	101 Å²	101	109.9 Å²	109.9	84%	0.835	65%	0.654	S	S	*	*			trans	-72.7	76.3	178.8	0	0	0	0	0	111.2	Q599	A597-Q599 PolarHBondContact O-N 3.13Å
598	A	30.5	Very low	40.9	Very low	71 Å²	71	114.3 Å²	114.3	59%	0.587	69%	0.685	S	S	*	*			trans	-63	118.4	168.4	0	0	0	0	0	108.9	S596 Y600	S596-A598 PolarHBondContact O-N 3.44Å; A598-Y600 VanDerWaalsContact C-N 3.32Å; A598-Y600 PolarHBondContact O-N 3.11Å
599	Q	26.8	Very low	38.2	Very low	172 Å²	172	114 Å²	114	80%	0.804	69%	0.692	S	S	*	*			trans	-73.5	82.5	-174.6	-64.2	171.6	-71.1	0	0	111.1	A597 N601	A597-Q599 PolarHBondContact O-N 3.13Å; Q599-N601 PolarHBondContact O-N 3.07Å
600	Y	29.2	Very low	35.3	Very low	228 Å²	228	115 Å²	115	89%	0.894	70%	0.702	S	S	*	*			trans	-67.3	89.8	158.4	-86.7	-76.4	0	0	0	108.5	A598 S602	A598-Y600 VanDerWaalsContact C-N 3.32Å; A598-Y600 PolarHBondContact O-N 3.11Å; Y600-S602 PolarHBondContact O-N 3.49Å
601	N	28.8	Very low	32.9	Very low	139 Å²	139	120.4 Å²	120.4	74%	0.743	73%	0.733	S	S	*	*			trans	-66.9	95.5	-176.9	-90.8	-22.4	0	0	0	111.3	Q599	Q599-N601 PolarHBondContact O-N 3.07Å
602	S	28.8	Very low	31	Very low	90 Å²	90	123.3 Å²	123.3	63%	0.629	75%	0.749	S	S	*	*			trans	24.9	101.7	145.2	-167.8	0	0	0	0	117.1	Y600	Y600-S602 PolarHBondContact O-N 3.49Å
603	C	26.8	Very low	29.8	Very low	119 Å²	119	121.3 Å²	121.3	80%	0.804	75%	0.749	S	S	*	*	S	Bend		-127.1	148.1	122.9	-82.3	0	0	0	0	108
604	C	27.3	Very low	29.4	Very low	99 Å²	99	122 Å²	122	67%	0.669	76%	0.755	S	S	*	*	S	Bend	trans	69.4	30.1	169.5	-54	0	0	0	0	118.7
605	V	31.7	Very low	28.8	Very low	120 Å²	120	123.6 Å²	123.6	73%	0.727	75%	0.754	S	S	*	*			trans	-127.2	110.4	152.3	-176.9	0	0	0	0	109.2
606	I	28.8	Very low	28.6	Very low	149 Å²	149	125.1 Å²	125.1	76%	0.764	75%	0.75	S	S	*	*			trans	-98.7	123.8	171.6	-59	177	0	0	0	107.1
607	P	28.7	Very low	28.5	Very low	93 Å²	93	127.9 Å²	127.9	60%	0.604	76%	0.758	S	S	*	*			trans	-67.6	136.4	176.5	27.6	-33.2	0	0	0	110.3	S609	P607-S609 VanDerWaalsContact C-N 3.27Å; P607-S609 PolarHBondContact O-N 3.37Å
608	P	27.1	Very low	28.7	Very low	120 Å²	120	128 Å²	128	78%	0.779	76%	0.758	S	S	*	*	S	Bend	trans	-76.5	71.6	-174.5	31.1	-36.2	0	0	0	111.7
609	S	30.2	Very low	28.8	Very low	108 Å²	108	133.3 Å²	133.3	76%	0.755	77%	0.771	S	S	*	*			trans	-155.6	26.1	-176.4	-74.5	0	0	0	0	116.3	P607	P607-S609 VanDerWaalsContact C-N 3.27Å; P607-S609 PolarHBondContact O-N 3.37Å
610	T	27.5	Very low	29	Very low	132 Å²	132	131.5 Å²	131.5	81%	0.81	77%	0.772	S	S	*	*			trans	-158.2	75.6	164	35.4	0	0	0	0	113.9
611	M	28.2	Very low	29.1	Very low	190 Å²	190	126.3 Å²	126.3	94%	0.936	76%	0.764	S	S	*	*			trans	-138.8	94.8	150.7	-79.5	-154.7	169.9	0	0	110.6
612	V	27	Very low	29.2	Very low	136 Å²	136	125.9 Å²	125.9	82%	0.824	77%	0.766	S	S	*	*			trans	-76.7	127	162	178.2	0	0	0	0	107	S614	V612-S614 PolarHBondContact O-N 2.9Å
613	P	29.2	Very low	29.4	Very low	114 Å²	114	126.1 Å²	126.1	74%	0.74	77%	0.774	S	S	*	*			trans	-68.9	106.9	178.4	27.3	-33.2	0	0	0	109.9	I615	P613-I615 PolarHBondContact O-N 3.24Å; P613-I615 VanDerWaalsContact O-N 3.11Å
614	S	29.2	Very low	29.7	Very low	107 Å²	107	127.5 Å²	127.5	75%	0.748	77%	0.773	S	S	*	*			trans	-75.6	97.2	171.4	-172.8	0	0	0	0	109.2	V612 C616	V612-S614 PolarHBondContact O-N 2.9Å; S614-C616 PolarHBondContact O-N 3.13Å
615	I	27.1	Very low	30.1	Very low	137 Å²	137	126.6 Å²	126.6	70%	0.703	77%	0.768	S	S	*	*			trans	-54.6	133.7	171	-62.4	168.4	0	0	0	109	P613	P613-I615 PolarHBondContact O-N 3.24Å; P613-I615 VanDerWaalsContact O-N 3.11Å
616	C	30.9	Very low	30.2	Very low	113 Å²	113	127 Å²	127	76%	0.764	77%	0.771	S	S	*	*			trans	-127.2	110.9	168.6	-63.8	0	0	0	0	106.7	S614	S614-C616 PolarHBondContact O-N 3.13Å
617	D	27.5	Very low	30.3	Very low	148 Å²	148	125.5 Å²	125.5	79%	0.791	77%	0.769	S	S	*	*			trans	-71.5	145.1	-168	-53.4	-86.3	0	0	0	113.9
618	A	32.3	Very low	30.5	Very low	103 Å²	103	131.8 Å²	131.8	85%	0.851	78%	0.782	S	S	*	*			trans	-140.2	127.9	158.7	0	0	0	0	0	108.4
619	E	31.2	Very low	30.5	Very low	182 Å²	182	129.9 Å²	129.9	85%	0.85	78%	0.776	S	S	*	*			trans	-84.8	143.9	-162.2	-56.4	166.7	112	0	0	114
620	T	31.1	Very low	30.8	Very low	135 Å²	135	130.4 Å²	130.4	83%	0.828	78%	0.777	S	S	*	*			trans	151.3	124.5	133.1	42	0	0	0	0	109.4
621	V	30.9	Very low	30.9	Very low	119 Å²	119	129.7 Å²	129.7	72%	0.721	77%	0.772	S	S	*	*			cis	128.4	127.3	28.1	147.8	0	0	0	0	107.1
622	T	32.6	Very low	31.1	Very low	129 Å²	129	127.7 Å²	127.7	79%	0.791	77%	0.77	S	S	*	*			trans	60.8	115.1	176.9	46.7	0	0	0	0	117.5
623	A	32.5	Very low	31.3	Very low	95 Å²	95	126.7 Å²	126.7	79%	0.785	77%	0.765	S	S	*	*				76.8	131.6	67.8	0	0	0	0	0	112.7
624	D	33.4	Very low	31.5	Very low	149 Å²	149	129.4 Å²	129.4	80%	0.797	77%	0.773	S	S	*	*			cis	-158.8	165.1	48.9	-157.5	-3	0	0	0	115.5
625	S	34.4	Very low	31.6	Very low	80 Å²	80	128.1 Å²	128.1	56%	0.559	77%	0.769	S	S	*	*			trans	65.8	120.6	147.2	68.5	0	0	0	0	124.3
626	T	33.9	Very low	32	Very low	129 Å²	129	126.8 Å²	126.8	79%	0.791	77%	0.772	S	S	*	*			trans	72.1	144.7	130.9	57.2	0	0	0	0	121.3
627	V	31.3	Very low	32.1	Very low	117 Å²	117	128 Å²	128	71%	0.709	77%	0.77	S	S	*	*			cis	-165.4	170	-11.3	112.1	0	0	0	0	112.2
628	Y	32.8	Very low	32.3	Very low	225 Å²	225	128 Å²	128	88%	0.882	77%	0.767	S	S	*	*			trans	84.8	126.1	167.4	-86.5	-59.2	0	0	0	120.7
629	A	27.8	Very low	32.4	Very low	80 Å²	80	128.8 Å²	128.8	66%	0.661	76%	0.761	S	S	*	*			trans	-130.6	174.7	158.9	0	0	0	0	0	107.8
630	P	35.4	Very low	32.6	Very low	119 Å²	119	124.8 Å²	124.8	77%	0.773	75%	0.753	S	S	*	*				-151.6	137.6	101.3	36.4	-18.5	0	0	0	117.8
631	V	29.9	Very low	32.7	Very low	117 Å²	117	123.7 Å²	123.7	71%	0.709	75%	0.751	S	S	*	*				41.9	115.1	124.3	-171.5	0	0	0	0	120.2	T633	V631-T633 HydrophobicContact CG1-CG2 4.49Å
632	V	33.5	Very low	32.6	Very low	148 Å²	148	122.2 Å²	122.2	90%	0.897	75%	0.751	S	S	*	*				-134.6	146	122.1	-179.3	0	0	0	0	108.2
633	T	30.7	Very low	32.8	Very low	115 Å²	115	125.2 Å²	125.2	71%	0.706	76%	0.756	S	S	*	*			trans	-127.3	143.5	-179.2	51.9	0	0	0	0	111.4	V631	V631-T633 HydrophobicContact CG1-CG2 4.49Å
634	D	33.8	Very low	32.7	Very low	170 Å²	170	124.4 Å²	124.4	91%	0.909	75%	0.75	S	S	*	*				-156.8	173.2	121.2	-135.4	-40.6	0	0	0	111.6
635	A	31.1	Very low	32.6	Very low	80 Å²	80	125 Å²	125	66%	0.661	75%	0.749	S	S	*	*			trans	-131	-158.5	-161.1	0	0	0	0	0	114.5
636	S	34.3	Very low	32.4	Very low	110 Å²	110	129.7 Å²	129.7	77%	0.769	76%	0.763	S	S	*	*			trans	87.7	141.2	173.9	84	0	0	0	0	116.4
637	L	33.6	Very low	32.4	Very low	139 Å²	139	128 Å²	128	73%	0.728	76%	0.762	S	S	*	*			cis	-162.6	153	0	-116.5	162.4	0	0	0	112
638	M	31	Very low	32.4	Very low	148 Å²	148	130 Å²	130	73%	0.729	77%	0.767	S	S	*	*			trans	63.7	120.8	162.1	-59.4	-44.8	-170.3	0	0	119.5
639	T	35.2	Very low	32.1	Very low	118 Å²	118	127.7 Å²	127.7	72%	0.724	77%	0.769	S	S	*	*				72.4	139.9	57.5	67.9	0	0	0	0	115.6
640	S	35.1	Very low	32.4	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	77%	0.768	S	S	*	*			cis	-172.2	142.9	-8.1	47.2	0	0	0	0	112.7
641	S	32.9	Very low	32.5	Very low	112 Å²	112	129.9 Å²	129.9	78%	0.783	77%	0.774	S	S	*	*			trans	24.1	134.6	148.6	64.2	0	0	0	0	122.9
642	A	29	Very low	32.7	Very low	87 Å²	87	127.2 Å²	127.2	72%	0.719	77%	0.77	S	S	*	*				152.7	163	106.6	0	0	0	0	0	114.3
643	E	36.2	Very low	32.7	Very low	193 Å²	193	127.1 Å²	127.1	90%	0.902	77%	0.77	S	S	*	*			trans	69.4	144.8	167.4	-60.4	-176.8	-174.9	0	0	118.5
644	A	30.8	Very low	32.5	Very low	78 Å²	78	127.7 Å²	127.7	65%	0.645	78%	0.777	S	S	*	*			cis	-163.1	145	-22.2	0	0	0	0	0	113.3
645	M	31	Very low	32.3	Very low	160 Å²	160	124.2 Å²	124.2	79%	0.788	77%	0.766	S	S	*	*			trans	57.4	111.7	141.7	-64.7	176.9	-173.6	0	0	123.9
646	Q	32.2	Very low	32.1	Very low	179 Å²	179	126.3 Å²	126.3	84%	0.836	77%	0.771	S	S	*	*				59.5	112.7	118.5	-62.2	172.2	-7.3	0	0	122.4
647	A	32.3	Very low	31.7	Very low	95 Å²	95	127.2 Å²	127.2	79%	0.785	77%	0.772	S	S	*	*				-176.9	151.9	128.4	0	0	0	0	0	110.7
648	I	30.9	Very low	31.2	Very low	157 Å²	157	127.4 Å²	127.4	81%	0.805	78%	0.779	S	S	*	*			cis	-151.2	147.1	-19.1	-107.1	166.1	0	0	0	107
649	L	26.9	Very low	31	Very low	178 Å²	178	128.4 Å²	128.4	93%	0.932	78%	0.784	S	S	*	*			trans	-90.5	127.6	170.3	-76.4	154.5	0	0	0	110.8
650	A	35.3	Very low	30.4	Very low	77 Å²	77	127.5 Å²	127.5	64%	0.636	79%	0.788	S	S	*	*			trans	-167	136.1	157	0	0	0	0	0	113.5
651	N	36.2	Very low	30	Very low	167 Å²	167	127.5 Å²	127.5	89%	0.893	79%	0.794	S	S	*	*			trans	60.3	128.2	157.2	-50.2	-24.6	0	0	0	118.9
652	G	34.4	Very low	29.7	Very low	61 Å²	61	126.1 Å²	126.1	63%	0.629	78%	0.778	S	S	*	*			cis	147	143.4	-11.5	0	0	0	0	0	113.8
653	T	34	Very low	29.6	Very low	147 Å²	147	126.9 Å²	126.9	90%	0.902	77%	0.774	S	S	*	*			trans	56.3	142.8	155	55.2	0	0	0	0	120.3
654	C	26.8	Very low	29.2	Very low	126 Å²	126	127.8 Å²	127.8	85%	0.851	78%	0.775	S	S	*	*			cis	-172.4	-169.4	-15.6	-164.4	0	0	0	0	107.5
655	S	29.8	Very low	29	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	78%	0.777	S	S	*	*			trans	80.6	93.9	161.9	-166	0	0	0	0	119.1
656	T	25.6	Very low	28.8	Very low	124 Å²	124	133 Å²	133	76%	0.761	78%	0.782	S	S	*	*			trans	13.6	130.4	135	43.9	0	0	0	0	120.9
657	T	25.7	Very low	28.6	Very low	129 Å²	129	128.2 Å²	128.2	79%	0.791	78%	0.78	S	S	*	*				-154.6	141.2	123.6	-71.6	0	0	0	0	109.1	M659	T657-M659 HydrophobicContact CG2-CG 4Å
658	V	23.1	Very low	28.3	Very low	143 Å²	143	130.6 Å²	130.6	87%	0.867	78%	0.779	S	S	*	*			trans	-100	116.9	171.3	175.4	0	0	0	0	108.6
659	M	27.1	Very low	28.1	Very low	169 Å²	169	129 Å²	129	83%	0.833	78%	0.778	S	S	*	*			trans	-147.9	144.8	171	-79.8	-67.4	-79.8	0	0	108.9	T657	T657-M659 HydrophobicContact CG2-CG 4Å
660	A	23.2	Very low	28.1	Very low	98 Å²	98	127.6 Å²	127.6	81%	0.81	77%	0.771	S	S	*	*			trans	-107.8	140.3	174.5	0	0	0	0	0	110.7
661	A	27.4	Very low	27.5	Very low	99 Å²	99	130.2 Å²	130.2	82%	0.818	78%	0.779	S	S	*	*			trans	-163.5	112.6	164.3	0	0	0	0	0	113
662	N	26.8	Very low	27	Very low	84 Å²	84	128 Å²	128	45%	0.449	77%	0.771	S	S	.	*			trans	24.8	133	134.6	-74.9	14.4	0	0	0	122.6	L695	N662-L695 PolarHBondContact ND2-O 2.84Å
663	T	25.7	Very low	26.6	Very low	103 Å²	103	130.4 Å²	130.4	63%	0.632	77%	0.774	S	S	*	*			trans	59.2	124	133.3	63.9	0	0	0	0	121.2
664	F	29.1	Very low	26.1	Very low	212 Å²	212	129.7 Å²	129.7	93%	0.93	77%	0.772	S	S	*	*				-141.9	136.4	118.9	-125.7	-84.3	0	0	0	110
665	T	26.4	Very low	26.2	Very low	112 Å²	112	131.7 Å²	131.7	69%	0.687	77%	0.773	S	S	*	*			trans	-121.3	156.3	179.3	47.8	0	0	0	0	110.9
666	R	26.1	Very low	26.1	Very low	236 Å²	236	129.8 Å²	129.8	89%	0.891	77%	0.769	S	S	*	*			trans	58.6	104	170.7	-64	179.1	174.4	179	-2.3	116.6
667	G	27.7	Very low	26.3	Very low	77 Å²	77	131.2 Å²	131.2	79%	0.794	77%	0.772	S	S	*	*			trans	-119.9	104.3	152	0	0	0	0	0	110
668	L	26.7	Very low	26.5	Very low	145 Å²	145	136.2 Å²	136.2	76%	0.759	78%	0.778	S	S	*	*			trans	-75	139.9	159.4	-80.6	84.9	0	0	0	108.1	L670	L668-L670 PolarHBondContact O-N 3.44Å
669	P	25.9	Very low	26.8	Very low	123 Å²	123	136.1 Å²	136.1	80%	0.799	78%	0.778	S	S	*	*			trans	-74.2	76.5	169.1	32	-34.1	0	0	0	110.2	V671	P669-V671 PolarHBondContact O-N 2.87Å; P669-V671 VanDerWaalsContact O-N 3.12Å
670	L	26.4	Very low	27	Very low	149 Å²	149	131.5 Å²	131.5	78%	0.78	77%	0.773	S	S	*	*			trans	-73.9	98.9	169.5	-115	172.1	0	0	0	108.8	L668 V672	L668-L670 PolarHBondContact O-N 3.44Å; L670-V672 HydrophobicContact CD2-CG2 4.44Å; L670-V672 PolarHBondContact O-N 3.3Å
671	V	22.7	Very low	27.4	Very low	132 Å²	132	131.9 Å²	131.9	80%	0.8	78%	0.777	S	S	*	*			trans	-69.7	101.8	175	179.9	0	0	0	0	109.1	P669	P669-V671 PolarHBondContact O-N 2.87Å; P669-V671 VanDerWaalsContact O-N 3.12Å
672	V	26	Very low	27.5	Very low	121 Å²	121	131.6 Å²	131.6	73%	0.733	78%	0.775	S	S	*	*			trans	-125.9	123.1	166.7	-176.5	0	0	0	0	108	L670	L670-V672 HydrophobicContact CD2-CG2 4.44Å; L670-V672 PolarHBondContact O-N 3.3Å
673	T	26.4	Very low	28	Very low	111 Å²	111	133.1 Å²	133.1	68%	0.681	79%	0.789	S	S	*	*			trans	-74.4	147.8	-177.7	42.2	0	0	0	0	111.9	L675	T673-L675 PolarHBondContact O-N 2.93Å
674	P	24.3	Very low	28.1	Very low	132 Å²	132	133.2 Å²	133.2	86%	0.857	80%	0.8	S	S	*	*			trans	-75.2	108.6	176.9	29.9	-33.2	0	0	0	110.7
675	L	27.9	Very low	28.2	Very low	168 Å²	168	126.4 Å²	126.4	88%	0.88	79%	0.789	S	S	*	*			trans	-101.5	104.4	162.1	-97.8	164.6	0	0	0	109.1	T673	T673-L675 PolarHBondContact O-N 2.93Å
676	G	28.9	Very low	28.3	Very low	59 Å²	59	126.7 Å²	126.7	61%	0.608	80%	0.796	S	S	*	*			trans	-77.4	172.7	168.2	0	0	0	0	0	112.2
677	D	28.6	Very low	28.5	Very low	153 Å²	153	122 Å²	122	82%	0.818	79%	0.794	S	S	*	*			trans	59.2	96.2	167.1	-54	-23.5	0	0	0	117.2
678	Y	29.8	Very low	28.6	Very low	234 Å²	234	123.6 Å²	123.6	92%	0.918	79%	0.79	S	S	*	*				-159.2	137.6	105.5	-116.9	-82.1	0	0	0	114.1
679	V	29.5	Very low	28.5	Very low	141 Å²	141	122.9 Å²	122.9	86%	0.855	79%	0.794	S	S	*	*			trans	-72.3	139.8	-165.7	175.4	0	0	0	0	115.7
680	G	30.8	Very low	28.6	Very low	72 Å²	72	123.6 Å²	123.6	74%	0.742	80%	0.796	S	S	*	*			trans	93.7	150.3	148.3	0	0	0	0	0	117.3
681	A	33.3	Very low	28.6	Very low	107 Å²	107	124 Å²	124	88%	0.884	80%	0.799	S	S	*	*			cis	-150.8	165.6	-2.9	0	0	0	0	0	112
682	A	29.2	Very low	28.8	Very low	93 Å²	93	124 Å²	124	77%	0.769	80%	0.798	S	S	*	*			trans	-97.3	-167.4	-174.2	0	0	0	0	0	111.5
683	P	36.3	Very low	28.9	Very low	116 Å²	116	122.1 Å²	122.1	75%	0.753	79%	0.789	S	S	*	*			cis	-143.8	165.8	3.1	42.5	-23	0	0	0	119.6
684	A	28.5	Very low	29	Very low	104 Å²	104	124.1 Å²	124.1	86%	0.86	80%	0.795	S	S	*	*			trans	41.3	129.8	140.6	0	0	0	0	0	123.1
685	G	30.5	Very low	29.1	Very low	69 Å²	69	119.9 Å²	119.9	71%	0.711	77%	0.765	S	S	*	*			trans	-160.4	36.9	176.1	0	0	0	0	0	117.4
686	S	29.8	Very low	29.1	Very low	119 Å²	119	115 Å²	115	83%	0.832	75%	0.749	S	S	*	*			trans	29.9	105.6	160.6	60.9	0	0	0	0	121.4
687	V	29.1	Very low	29	Very low	138 Å²	138	115.5 Å²	115.5	84%	0.836	74%	0.74	S	S	*	*			trans	-140.3	136.9	148	-177	0	0	0	0	107.7
688	P	29.3	Very low	29	Very low	110 Å²	110	111.6 Å²	111.6	71%	0.714	72%	0.722	S	S	*	*			trans	-82.8	160.3	-173.3	32.9	-36.5	0	0	0	114.4
689	P	26.4	Very low	29.2	Very low	129 Å²	129	107 Å²	107	84%	0.838	73%	0.725	S	S	*	*			trans	-80.2	154.1	179.8	33.7	-36.1	0	0	0	113.4
690	V	26.2	Very low	29.5	Very low	138 Å²	138	105.9 Å²	105.9	84%	0.836	71%	0.713	S	S	*	*			trans	-104.4	137.1	170.4	-179.6	0	0	0	0	109.2
691	N	28	Very low	29.4	Very low	158 Å²	158	104.8 Å²	104.8	85%	0.845	70%	0.703	S	S	*	*			trans	-73.3	143.5	-179.7	-88.1	-39.9	0	0	0	112.5
692	V	25.7	Very low	29.3	Very low	131 Å²	131	102.8 Å²	102.8	79%	0.794	68%	0.682	S	S	*	*			trans	-128.2	120.9	162.5	-171.5	0	0	0	0	107.6
693	P	29.6	Very low	29.3	Very low	83 Å²	83	103.4 Å²	103.4	54%	0.539	67%	0.671	S	S	.	*			trans	-70.8	150.2	-176.9	-21.2	34.2	0	0	0	114.2
694	N	27	Very low	29	Very low	152 Å²	152	107.5 Å²	107.5	81%	0.813	67%	0.673	S	S	*	*			trans	-68.8	152.2	174.5	-70.4	-38.8	0	0	0	112.5
695	L	26.1	Very low	29	Very low	43 Å²	43	111.5 Å²	111.5	23%	0.225	67%	0.667	C	S	.	*			trans	-107.7	140.8	163.9	-80.5	84	0	0	0	111.1	N662 I703 Y704 Y705	N662-L695 PolarHBondContact ND2-O 2.84Å; L695-I703 HydrophobicContact CD2-CG2 3.38Å; L695-Y704 VanDerWaalsContact CD2-O 3.22Å; L695-Y704 WeakPolarHBondContact CD2-O 3.27Å; L695-Y704 WeakPolarHBondContact CG-O 3.35Å; L695-Y705 HydrophobicContact CD1-CD1 3.66Å; L695-Y705 HydrophobicContact CD1-CE1 3.38Å; L695-Y705 HydrophobicContact CD1-CE2 4.43Å; L695-Y705 HydrophobicContact CD1-CG 4.28Å; L695-Y705 HydrophobicContact CD2-CD1 3.93Å; L695-Y705 HydrophobicContact CD2-CD2 3.48Å; L695-Y705 VanDerWaalsContact CD2-CD2 3.48Å; L695-Y705 HydrophobicContact CD2-CE1 3.93Å; L695-Y705 HydrophobicContact CD2-CE2 3.46Å; L695-Y705 VanDerWaalsContact CD2-CE2 3.46Å; L695-Y705 HydrophobicContact CD2-CG 3.69Å; L695-Y705 HydrophobicContact CG-CD1 4.3Å; L695-Y705 HydrophobicContact CG-CE1 4.28Å; L695-Y705 HydrophobicContact CG-CG 4.44Å
696	A	27.8	Very low	29	Very low	66 Å²	66	112.4 Å²	112.4	55%	0.545	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-90.2	140.5	164.5	0	0	0	0	0	109.2
697	V	26.9	Very low	29	Very low	69 Å²	69	112.6 Å²	112.6	42%	0.418	66%	0.662	S	S	.	*	B	Isolated β-bridge	trans	-101.7	129.3	166	-167.2	0	0	0	0	106.2	S702 I703	V697-S702 WeakPolarHBondContact CA-O 3.5Å; V697-I703 HydrophobicContact CB-CG1 4.49Å; V697-I703 HydrophobicContact CG1-CG1 4.01Å; V697-I703 HydrophobicContact CG2-CD1 4.26Å; V697-I703 HydrophobicContact CG2-CG1 4.1Å
698	T	29.6	Very low	29	Very low	72 Å²	72	113.1 Å²	113.1	44%	0.442	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-72.2	163	172.5	38.6	0	0	0	0	110.8	D700 G701 S702	T698-D700 WeakPolarHBondContact CB-OD1 3.1Å; T698-D700 PolarHBondContact O-N 3.18Å; T698-D700 PolarHBondContact OG1-OD1 3.33Å; T698-G701 PolarHBondContact O-N 3.35Å; T698-S702 PolarHBondContact N-O 3.4Å; T698-S702 VanDerWaalsContact OG1-CB 3.22Å; T698-S702 WeakPolarHBondContact OG1-CB 3.32Å; T698-S702 PolarHBondContact OG1-N 3.24Å; T698-S702 PolarHBondContact OG1-O 3.13Å
699	S	33.8	Very low	29	Very low	138 Å²	138	113 Å²	113	97%	0.965	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-3.7	-178.7	47.9	0	0	0	0	115
700	D	36.5	Very low	29.1	Very low	116 Å²	116	116.2 Å²	116.2	62%	0.62	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-4.4	173	51.2	45.5	0	0	0	113.6	T698 S702	T698-D700 WeakPolarHBondContact CB-OD1 3.1Å; T698-D700 PolarHBondContact O-N 3.18Å; T698-D700 PolarHBondContact OG1-OD1 3.33Å; D700-S702 VanDerWaalsContact OD1-CB 3.31Å; D700-S702 WeakPolarHBondContact OD1-CB 3.44Å; D700-S702 PolarHBondContact OD1-N 2.81Å; D700-S702 PolarHBondContact OD1-OG 3Å
701	G	28.4	Very low	29.2	Very low	50 Å²	50	113.6 Å²	113.6	52%	0.515	65%	0.654	S	S	.	*	S	Bend	trans	95.5	-0.6	-179.4	0	0	0	0	0	115.7	T698	T698-G701 PolarHBondContact O-N 3.35Å
702	S	30.6	Very low	29.2	Very low	64 Å²	64	113.7 Å²	113.7	45%	0.448	66%	0.655	S	S	.	*			trans	-71.7	144.9	179.9	-43.1	0	0	0	0	112.6	V697 T698 D700	V697-S702 WeakPolarHBondContact CA-O 3.5Å; T698-S702 PolarHBondContact N-O 3.4Å; T698-S702 VanDerWaalsContact OG1-CB 3.22Å; T698-S702 WeakPolarHBondContact OG1-CB 3.32Å; T698-S702 PolarHBondContact OG1-N 3.24Å; T698-S702 PolarHBondContact OG1-O 3.13Å; D700-S702 VanDerWaalsContact OD1-CB 3.31Å; D700-S702 WeakPolarHBondContact OD1-CB 3.44Å; D700-S702 PolarHBondContact OD1-N 2.81Å; D700-S702 PolarHBondContact OD1-OG 3Å
703	I	30.5	Very low	29.5	Very low	106 Å²	106	111 Å²	111	54%	0.544	65%	0.653	S	S	.	*	B	Isolated β-bridge	trans	-129.7	125.7	-173.4	-62.1	-174.8	0	0	0	109.9	L695 V697	L695-I703 HydrophobicContact CD2-CG2 3.38Å; V697-I703 HydrophobicContact CB-CG1 4.49Å; V697-I703 HydrophobicContact CG1-CG1 4.01Å; V697-I703 HydrophobicContact CG2-CD1 4.26Å; V697-I703 HydrophobicContact CG2-CG1 4.1Å
704	Y	29	Very low	29.4	Very low	202 Å²	202	115.9 Å²	115.9	79%	0.792	67%	0.666	S	S	*	*			trans	-123.5	122.5	-174.2	-118.2	-87.7	0	0	0	112.1	L695	L695-Y704 VanDerWaalsContact CD2-O 3.22Å; L695-Y704 WeakPolarHBondContact CD2-O 3.27Å; L695-Y704 WeakPolarHBondContact CG-O 3.35Å
705	Y	28.5	Very low	29.6	Very low	189 Å²	189	118.5 Å²	118.5	74%	0.741	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-88.5	127.9	171.6	-83.9	-88.6	0	0	0	110.8	L695	L695-Y705 HydrophobicContact CD1-CD1 3.66Å; L695-Y705 HydrophobicContact CD1-CE1 3.38Å; L695-Y705 HydrophobicContact CD1-CE2 4.43Å; L695-Y705 HydrophobicContact CD1-CG 4.28Å; L695-Y705 HydrophobicContact CD2-CD1 3.93Å; L695-Y705 HydrophobicContact CD2-CD2 3.48Å; L695-Y705 VanDerWaalsContact CD2-CD2 3.48Å; L695-Y705 HydrophobicContact CD2-CE1 3.93Å; L695-Y705 HydrophobicContact CD2-CE2 3.46Å; L695-Y705 VanDerWaalsContact CD2-CE2 3.46Å; L695-Y705 HydrophobicContact CD2-CG 3.69Å; L695-Y705 HydrophobicContact CG-CD1 4.3Å; L695-Y705 HydrophobicContact CG-CE1 4.28Å; L695-Y705 HydrophobicContact CG-CG 4.44Å
706	P	29.7	Very low	29.6	Very low	87 Å²	87	120.6 Å²	120.6	57%	0.565	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-95.4	131.8	-178.6	34.2	-32.9	0	0	0	114.2
707	S	30.3	Very low	29.5	Very low	124 Å²	124	127 Å²	127	87%	0.867	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-82.2	152.1	176.6	-49.9	0	0	0	0	113.6
708	I	28.4	Very low	29.7	Very low	148 Å²	148	132.4 Å²	132.4	76%	0.759	73%	0.727	S	S	*	*			trans	-125.7	142.9	179.3	-68.1	179.5	0	0	0	110.7
709	P	29.7	Very low	29.7	Very low	108 Å²	108	136.4 Å²	136.4	70%	0.701	74%	0.741	S	S	*	*			trans	-122.3	164.5	-157.3	42.3	-30.7	0	0	0	116.9
710	Q	28.6	Very low	29.2	Very low	196 Å²	196	134.7 Å²	134.7	92%	0.916	73%	0.728	S	S	*	*			trans	169	152.2	148.8	-95.9	166.5	38	0	0	109.7
711	A	28.9	Very low	28.7	Very low	83 Å²	83	136.1 Å²	136.1	69%	0.686	74%	0.74	S	S	*	*			cis	-160.3	162	-13	0	0	0	0	0	111.7
712	D	28.3	Very low	28.5	Very low	160 Å²	160	138.3 Å²	138.3	86%	0.856	75%	0.754	S	S	*	*			trans	18.9	136.2	160	-76.1	-48.7	0	0	0	123.4
713	G	30.9	Very low	28.1	Very low	74 Å²	74	147.1 Å²	147.1	76%	0.763	78%	0.777	S	S	*	*			trans	-150.1	-55.1	177.7	0	0	0	0	0	120.8
714	K	27.9	Very low	28	Very low	186 Å²	186	147.9 Å²	147.9	81%	0.809	79%	0.789	S	S	*	*			trans	50.2	128.1	176.3	-69.4	171.5	176.3	156	0	120.3
715	K	31.9	Very low	27.8	Very low	208 Å²	208	142.6 Å²	142.6	90%	0.904	79%	0.787	S	S	*	*			trans	100.8	155.6	159.9	-57.9	161.8	-176.7	171	0	116.5
716	A	26.5	Very low	27.8	Very low	86 Å²	86	138.7 Å²	138.7	71%	0.711	79%	0.788	S	S	*	*			cis	-172.4	130.8	-34.1	0	0	0	0	0	113.1
717	K	25.6	Very low	27.8	Very low	200 Å²	200	138.2 Å²	138.2	87%	0.87	80%	0.798	S	S	*	*			trans	62.2	123.7	148.9	-74.1	-175.3	175	179.6	0	122.3
718	K	30.5	Very low	27.8	Very low	183 Å²	183	136.6 Å²	136.6	80%	0.796	79%	0.792	S	S	*	*			trans	115.3	119.9	137.4	-81	-176.1	169.4	-169.3	0	120.1
719	H	29.9	Very low	28	Very low	157 Å²	157	135.6 Å²	135.6	73%	0.727	79%	0.789	S	S	*	*			trans	61.1	104	144.1	-69.7	-64.8	0	0	0	122.9
720	C	23.5	Very low	28.2	Very low	102 Å²	102	137.5 Å²	137.5	69%	0.689	79%	0.793	S	S	*	*				82.4	132.4	118.9	-64.6	0	0	0	0	122.1
721	T	25	Very low	28.8	Very low	145 Å²	145	132.3 Å²	132.3	89%	0.89	78%	0.778	S	S	*	*			trans	79.9	134.2	158.1	55.4	0	0	0	0	121.1
722	A	24.4	Very low	29.3	Very low	97 Å²	97	131.7 Å²	131.7	80%	0.802	77%	0.766	S	S	*	*			trans	82.7	103.7	156.2	0	0	0	0	0	121.7
723	R	23.1	Very low	29.5	Very low	249 Å²	249	127 Å²	127	94%	0.94	75%	0.75	S	S	*	*			trans	73.5	157.1	149.5	-80.7	-169.9	162.9	-176.8	-6	120.3
724	P	26.6	Very low	30.1	Very low	122 Å²	122	129.9 Å²	129.9	79%	0.792	74%	0.743	S	S	*	*			trans	-117.6	163.3	-156.3	42.1	-31.1	0	0	0	115.4
725	A	25.5	Very low	31	Very low	91 Å²	91	126.2 Å²	126.2	75%	0.752	73%	0.732	S	S	*	*			trans	-160.3	142.8	155	0	0	0	0	0	111
726	S	28.9	Very low	31.4	Very low	107 Å²	107	121.5 Å²	121.5	75%	0.748	72%	0.716	S	S	*	*			trans	37	128.1	148.7	61.2	0	0	0	0	121.8
727	G	29.5	Very low	32.1	Very low	76 Å²	76	121.6 Å²	121.6	78%	0.784	71%	0.705	S	S	*	*			trans	119.4	98.1	148.6	0	0	0	0	0	116
728	A	31.4	Very low	33.7	Very low	90 Å²	90	115.1 Å²	115.1	74%	0.744	68%	0.682	S	S	*	*			trans	-152.7	132.2	162.8	0	0	0	0	0	109
729	D	32.6	Very low	34.6	Very low	128 Å²	128	112.5 Å²	112.5	68%	0.684	67%	0.672	S	S	*	*			trans	-88.9	145.2	-170.6	-50	-66.1	0	0	0	113	S731 T732	D729-S731 PolarHBondContact O-N 3.06Å; D729-T732 PolarHBondContact O-N 3.01Å; D729-T732 PolarHBondContact O-OG1 3.41Å
730	D	32.6	Very low	35.7	Very low	147 Å²	147	111.1 Å²	111.1	79%	0.786	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-26	-171.1	-71.4	-49.6	0	0	0	115.3	T732 A733	D730-T732 PolarHBondContact O-N 2.95Å; D730-A733 PolarHBondContact O-N 3.14Å
731	S	42.7	Very low	37.1	Very low	87 Å²	87	111.4 Å²	111.4	61%	0.608	65%	0.652	S	S	*	*	H	α-helix	trans	-61.3	-27.2	178.4	60.9	0	0	0	0	113	D729 A733	D729-S731 PolarHBondContact O-N 3.06Å; S731-A733 VanDerWaalsContact C-N 3.34Å; S731-A733 PolarHBondContact O-N 3.28Å
732	T	38.2	Very low	38.7	Very low	70 Å²	70	109.1 Å²	109.1	43%	0.429	63%	0.631	S	S	.	*	H	α-helix	trans	-70.7	-27.7	-177.7	59.1	0	0	0	0	113.5	D729 D730 L736	D729-T732 PolarHBondContact O-N 3.01Å; D729-T732 PolarHBondContact O-OG1 3.41Å; D730-T732 PolarHBondContact O-N 2.95Å; T732-L736 WeakPolarHBondContact O-CB 3.45Å; T732-L736 WeakPolarHBondContact O-CD1 3.39Å; T732-L736 VanDerWaalsContact O-CG 3.26Å; T732-L736 WeakPolarHBondContact O-CG 3.48Å; T732-L736 PolarHBondContact O-N 3.48Å; T732-L736 VanDerWaalsContact O-N 3.14Å
733	A	32.9	Very low	39.8	Very low	63 Å²	63	108.7 Å²	108.7	52%	0.521	62%	0.618	S	S	.	*	H	α-helix	trans	-66.9	-38.7	-178.6	0	0	0	0	0	112.4	D730 S731 L737	D730-A733 PolarHBondContact O-N 3.14Å; S731-A733 VanDerWaalsContact C-N 3.34Å; S731-A733 PolarHBondContact O-N 3.28Å; A733-L737 WeakPolarHBondContact O-CB 3.39Å; A733-L737 PolarHBondContact O-N 2.99Å; A733-L737 VanDerWaalsContact O-N 3.15Å
734	H	43.9	Very low	41	Very low	133 Å²	133	100 Å²	100	62%	0.616	59%	0.587	S	S	*	*	H	α-helix	trans	-73.3	-44.7	-178.3	-157.5	79.2	0	0	0	111.9	L736 L737 V738	H734-L736 VanDerWaalsContact C-N 3.33Å; H734-L736 PolarHBondContact O-N 3.39Å; H734-L737 PolarHBondContact O-N 2.82Å; H734-L737 VanDerWaalsContact O-N 3.14Å; H734-V738 WeakPolarHBondContact O-CG2 3.39Å; H734-V738 PolarHBondContact O-N 3.15Å
735	D	46.3	Very low	42.4	Very low	110 Å²	110	97.8 Å²	97.8	59%	0.588	58%	0.575	S	S	*	*	H	α-helix	trans	-61.1	-39.9	176.3	-83.6	-12.7	0	0	0	112.2	V738 Q739	D735-V738 PolarHBondContact O-N 2.98Å; D735-Q739 WeakPolarHBondContact O-CB 3.47Å; D735-Q739 WeakPolarHBondContact O-CG 3.35Å; D735-Q739 PolarHBondContact O-N 3.21Å
736	L	40.6	Very low	43.7	Very low	109 Å²	109	100.3 Å²	100.3	57%	0.571	57%	0.565	S	S	*	*	H	α-helix	trans	-64.3	-39.1	174.5	-75.6	170.9	0	0	0	112.1	T732 H734 Q739 W740	T732-L736 WeakPolarHBondContact O-CB 3.45Å; T732-L736 WeakPolarHBondContact O-CD1 3.39Å; T732-L736 VanDerWaalsContact O-CG 3.26Å; T732-L736 WeakPolarHBondContact O-CG 3.48Å; T732-L736 PolarHBondContact O-N 3.48Å; T732-L736 VanDerWaalsContact O-N 3.14Å; H734-L736 VanDerWaalsContact C-N 3.33Å; H734-L736 PolarHBondContact O-N 3.39Å; L736-Q739 PolarHBondContact O-N 3.23Å; L736-W740 VanDerWaalsContact O-CB 3.29Å; L736-W740 WeakPolarHBondContact O-CB 3.34Å; L736-W740 PolarHBondContact O-N 3.11Å
737	L	39.9	Very low	44.3	Very low	88 Å²	88	102.2 Å²	102.2	46%	0.461	56%	0.56	S	S	.	*	H	α-helix	trans	-69.6	-37.6	178.9	-160.8	150.9	0	0	0	111.7	A733 H734 W740 Q741	A733-L737 WeakPolarHBondContact O-CB 3.39Å; A733-L737 PolarHBondContact O-N 2.99Å; A733-L737 VanDerWaalsContact O-N 3.15Å; H734-L737 PolarHBondContact O-N 2.82Å; H734-L737 VanDerWaalsContact O-N 3.14Å; L737-W740 PolarHBondContact O-N 3.18Å; L737-Q741 HydrophobicContact CD2-CG 4.31Å; L737-Q741 WeakPolarHBondContact O-CG 3.41Å; L737-Q741 PolarHBondContact O-N 3.2Å
738	V	59.6	Low	45	Very low	64 Å²	64	103.7 Å²	103.7	39%	0.388	55%	0.55	S	S	.	.	H	α-helix	trans	-67	-45.3	172.5	174	0	0	0	0	111.5	H734 D735 W740 Q741 E742	H734-V738 WeakPolarHBondContact O-CG2 3.39Å; H734-V738 PolarHBondContact O-N 3.15Å; D735-V738 PolarHBondContact O-N 2.98Å; V738-W740 VanDerWaalsContact C-N 3.29Å; V738-W740 PolarHBondContact O-N 2.56Å; V738-Q741 PolarHBondContact O-N 2.95Å; V738-E742 PolarHBondContact O-N 2.87Å
739	Q	49.2	Very low	45.9	Very low	127 Å²	127	103.2 Å²	103.2	59%	0.593	55%	0.545	S	S	*	.	H	α-helix	trans	-61.2	-38	173.9	-77.6	-168.5	5.9	0	0	112.2	D735 L736 T743	D735-Q739 WeakPolarHBondContact O-CB 3.47Å; D735-Q739 WeakPolarHBondContact O-CG 3.35Å; D735-Q739 PolarHBondContact O-N 3.21Å; L736-Q739 PolarHBondContact O-N 3.23Å; Q739-T743 VanDerWaalsContact O-CB 3.31Å; Q739-T743 WeakPolarHBondContact O-CB 3.22Å; Q739-T743 PolarHBondContact O-N 3.05Å; Q739-T743 PolarHBondContact O-OG1 3.16Å
740	W	53	Low	46.2	Very low	128 Å²	128	101.7 Å²	101.7	49%	0.485	54%	0.541	S	S	.	.	H	α-helix	trans	-65.1	-45.3	176	-167.9	89.3	0	0	0	111.2	L736 L737 V738 E742 T743 F744	L736-W740 VanDerWaalsContact O-CB 3.29Å; L736-W740 WeakPolarHBondContact O-CB 3.34Å; L736-W740 PolarHBondContact O-N 3.11Å; L737-W740 PolarHBondContact O-N 3.18Å; V738-W740 VanDerWaalsContact C-N 3.29Å; V738-W740 PolarHBondContact O-N 2.56Å; W740-E742 PolarHBondContact O-N 2.51Å; W740-T743 PolarHBondContact O-N 2.92Å; W740-F744 HydrophobicContact CE3-CB 4.46Å; W740-F744 AromaticContact CH2-CD2 3.98Å; W740-F744 HydrophobicContact CH2-CD2 3.98Å; W740-F744 HydrophobicContact CH2-CE2 4.18Å; W740-F744 HydrophobicContact CH2-CG 4.32Å; W740-F744 HydrophobicContact CZ2-CD2 4.15Å; W740-F744 HydrophobicContact CZ3-CB 4.5Å; W740-F744 HydrophobicContact CZ3-CD2 4.42Å; W740-F744 HydrophobicContact CZ3-CG 4.31Å; W740-F744 WeakPolarHBondContact O-CB 3.39Å; W740-F744 PolarHBondContact O-N 3.32Å
741	Q	53	Low	46.2	Very low	109 Å²	109	104 Å²	104	51%	0.509	54%	0.544	S	S	.	.	H	α-helix	trans	-61.3	-43	175	-76	-176.9	1.2	0	0	113.1	L737 V738 S745	L737-Q741 HydrophobicContact CD2-CG 4.31Å; L737-Q741 WeakPolarHBondContact O-CG 3.41Å; L737-Q741 PolarHBondContact O-N 3.2Å; V738-Q741 PolarHBondContact O-N 2.95Å; Q741-S745 WeakPolarHBondContact O-CB 3.49Å; Q741-S745 PolarHBondContact O-N 2.98Å; Q741-S745 PolarHBondContact O-OG 3.43Å
742	E	58.8	Low	45.8	Very low	97 Å²	97	108.6 Å²	108.6	45%	0.453	56%	0.556	S	S	.	*	H	α-helix	trans	-61	-44.9	173.3	-79.1	-151	145.8	0	0	111.9	V738 W740 S745 R746	V738-E742 PolarHBondContact O-N 2.87Å; W740-E742 PolarHBondContact O-N 2.51Å; E742-S745 PolarHBondContact O-N 3.19Å; E742-R746 WeakPolarHBondContact O-CG 3.33Å; E742-R746 PolarHBondContact O-N 2.85Å; E742-R746 IonicContact OE1-NH2 3.35Å; E742-R746 PolarHBondContact OE1-NH2 2.96Å; E742-R746 IonicContact OE2-CZ 3.16Å; E742-R746 IonicContact OE2-NH1 2.73Å; E742-R746 PolarHBondContact OE2-NH1 3.47Å; E742-R746 IonicContact OE2-NH2 2.74Å; E742-R746 PolarHBondContact OE2-NH2 3.2Å
743	T	47.7	Very low	45.5	Very low	87 Å²	87	114 Å²	114	53%	0.534	58%	0.576	S	S	.	*	H	α-helix	trans	-69.2	-39.6	-176.4	-55.3	0	0	0	0	111.1	Q739 W740 R746 F747	Q739-T743 VanDerWaalsContact O-CB 3.31Å; Q739-T743 WeakPolarHBondContact O-CB 3.22Å; Q739-T743 PolarHBondContact O-N 3.05Å; Q739-T743 PolarHBondContact O-OG1 3.16Å; W740-T743 PolarHBondContact O-N 2.92Å; T743-R746 PolarHBondContact O-N 2.9Å; T743-F747 WeakPolarHBondContact O-CB 3.46Å; T743-F747 PolarHBondContact O-N 3.14Å
744	F	47.9	Very low	45.4	Very low	66 Å²	66	116.3 Å²	116.3	29%	0.289	59%	0.586	S	S	.	*	H	α-helix	trans	-63.6	-42.1	173.5	-167	-104.7	0	0	0	111.4	W740 R746 F747 L748 L774	W740-F744 HydrophobicContact CE3-CB 4.46Å; W740-F744 AromaticContact CH2-CD2 3.98Å; W740-F744 HydrophobicContact CH2-CD2 3.98Å; W740-F744 HydrophobicContact CH2-CE2 4.18Å; W740-F744 HydrophobicContact CH2-CG 4.32Å; W740-F744 HydrophobicContact CZ2-CD2 4.15Å; W740-F744 HydrophobicContact CZ3-CB 4.5Å; W740-F744 HydrophobicContact CZ3-CD2 4.42Å; W740-F744 HydrophobicContact CZ3-CG 4.31Å; W740-F744 WeakPolarHBondContact O-CB 3.39Å; W740-F744 PolarHBondContact O-N 3.32Å; F744-R746 PolarHBondContact O-N 2.82Å; F744-F747 PolarHBondContact O-N 3.16Å; F744-L748 HydrophobicContact CD1-CD1 3.82Å; F744-L748 HydrophobicContact CD1-CG 4.42Å; F744-L748 HydrophobicContact CE1-CD1 3.54Å; F744-L748 HydrophobicContact CE1-CG 4.28Å; F744-L748 HydrophobicContact CZ-CD1 4.23Å; F744-L748 WeakPolarHBondContact O-CG 3.31Å; F744-L748 PolarHBondContact O-N 3.03Å; F744-L774 HydrophobicContact CE2-CD1 4.29Å
745	S	55.9	Low	44.8	Very low	76 Å²	76	115.6 Å²	115.6	53%	0.531	59%	0.593	S	S	.	*	H	α-helix	trans	-63.3	-40.4	175	-59.1	0	0	0	0	112.3	Q741 E742 A749	Q741-S745 WeakPolarHBondContact O-CB 3.49Å; Q741-S745 PolarHBondContact O-N 2.98Å; Q741-S745 PolarHBondContact O-OG 3.43Å; E742-S745 PolarHBondContact O-N 3.19Å; S745-A749 WeakPolarHBondContact O-CB 3.46Å; S745-A749 PolarHBondContact O-N 3.15Å; S745-A749 VanDerWaalsContact O-N 3.11Å
746	R	54	Low	44.2	Very low	144 Å²	144	117 Å²	117	54%	0.543	61%	0.606	S	S	.	*	H	α-helix	trans	-65.3	-40.2	173.4	-71.2	172.9	-174.1	122.7	10.8	111.9	E742 T743 F744 A749 T750	E742-R746 WeakPolarHBondContact O-CG 3.33Å; E742-R746 PolarHBondContact O-N 2.85Å; E742-R746 IonicContact OE1-NH2 3.35Å; E742-R746 PolarHBondContact OE1-NH2 2.96Å; E742-R746 IonicContact OE2-CZ 3.16Å; E742-R746 IonicContact OE2-NH1 2.73Å; E742-R746 PolarHBondContact OE2-NH1 3.47Å; E742-R746 IonicContact OE2-NH2 2.74Å; E742-R746 PolarHBondContact OE2-NH2 3.2Å; T743-R746 PolarHBondContact O-N 2.9Å; F744-R746 PolarHBondContact O-N 2.82Å; R746-A749 WeakPolarHBondContact O-CB 3.41Å; R746-A749 PolarHBondContact O-N 3.05Å; R746-T750 PolarHBondContact O-N 3.2Å; R746-T750 PolarHBondContact O-OG1 2.97Å
747	F	41.1	Very low	44.2	Very low	147 Å²	147	117.4 Å²	117.4	65%	0.645	61%	0.613	S	S	*	*	H	α-helix	trans	-67.7	-38.7	178.4	-170.2	-101.4	0	0	0	112.8	T743 F744 A749 T750	T743-F747 WeakPolarHBondContact O-CB 3.46Å; T743-F747 PolarHBondContact O-N 3.14Å; F744-F747 PolarHBondContact O-N 3.16Å; F747-A749 VanDerWaalsContact C-N 3.32Å; F747-T750 PolarHBondContact O-N 2.68Å; F747-T750 PolarHBondContact O-OG1 3.42Å
748	L	43.9	Very low	43.9	Very low	108 Å²	108	121.3 Å²	121.3	57%	0.565	64%	0.635	S	S	*	*	H	α-helix	trans	-70.1	-26.9	173.4	-71.5	178	0	0	0	113.3	F744	F744-L748 HydrophobicContact CD1-CD1 3.82Å; F744-L748 HydrophobicContact CD1-CG 4.42Å; F744-L748 HydrophobicContact CE1-CD1 3.54Å; F744-L748 HydrophobicContact CE1-CG 4.28Å; F744-L748 HydrophobicContact CZ-CD1 4.23Å; F744-L748 WeakPolarHBondContact O-CG 3.31Å; F744-L748 PolarHBondContact O-N 3.03Å
749	A	49.4	Very low	42.8	Very low	79 Å²	79	125.3 Å²	125.3	65%	0.653	65%	0.654	S	S	*	*	H	α-helix	trans	-71.4	-29.4	174.4	0	0	0	0	0	112.8	S745 R746 F747 K751	S745-A749 WeakPolarHBondContact O-CB 3.46Å; S745-A749 PolarHBondContact O-N 3.15Å; S745-A749 VanDerWaalsContact O-N 3.11Å; R746-A749 WeakPolarHBondContact O-CB 3.41Å; R746-A749 PolarHBondContact O-N 3.05Å; F747-A749 VanDerWaalsContact C-N 3.32Å; A749-K751 PolarHBondContact O-N 3.46Å
750	T	39.2	Very low	42.3	Very low	96 Å²	96	125 Å²	125	59%	0.589	66%	0.656	S	S	*	*			trans	-77.4	61.4	177	43.4	0	0	0	0	113.3	R746 F747 E752	R746-T750 PolarHBondContact O-N 3.2Å; R746-T750 PolarHBondContact O-OG1 2.97Å; F747-T750 PolarHBondContact O-N 2.68Å; F747-T750 PolarHBondContact O-OG1 3.42Å; T750-E752 PolarHBondContact O-N 2.83Å
751	K	34	Very low	41.5	Very low	196 Å²	196	126.4 Å²	126.4	85%	0.852	67%	0.668	S	S	*	*			trans	-77.3	71.2	164.4	-79.8	-170.5	174.8	-180	0	111.3	A749	A749-K751 PolarHBondContact O-N 3.46Å
752	E	33.1	Very low	41.1	Very low	184 Å²	184	125.5 Å²	125.5	86%	0.86	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-84.1	152.5	161.8	-65.7	-163.1	140.5	0	0	110.7	T750	T750-E752 PolarHBondContact O-N 2.83Å
753	Q	31.5	Very low	40.2	Very low	182 Å²	182	123.1 Å²	123.1	85%	0.85	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-77	142.3	-172.4	-63	175.8	-56.4	0	0	111.2
754	P	31.1	Very low	39.7	Very low	112 Å²	112	122 Å²	122	73%	0.727	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-64.4	132.9	171.5	27.9	-33.5	0	0	0	109.9
755	P	31.9	Very low	39.5	Very low	119 Å²	119	125.8 Å²	125.8	77%	0.773	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-70.7	140.5	-178.4	28.7	-34.8	0	0	0	111.8	T757	P755-T757 PolarHBondContact O-N 3.4Å
756	T	34.5	Very low	39.2	Very low	139 Å²	139	125 Å²	125	85%	0.853	68%	0.677	S	S	*	*			trans	-97.5	86	-178.1	55.2	0	0	0	0	112.2
757	T	38.8	Very low	39.1	Very low	118 Å²	118	122.7 Å²	122.7	72%	0.724	68%	0.678	S	S	*	*			trans	-158.1	138.6	162.5	24.7	0	0	0	0	109.8	P755 D759	P755-T757 PolarHBondContact O-N 3.4Å; T757-D759 PolarHBondContact O-N 3.21Å; T757-D759 VanDerWaalsContact O-N 3.11Å
758	D	33.4	Very low	39.9	Very low	170 Å²	170	122.7 Å²	122.7	91%	0.909	68%	0.678	S	S	*	*			trans	-81.9	80.1	-176.3	-58.8	-75.2	0	0	0	113
759	D	37.3	Very low	40.7	Very low	148 Å²	148	120.5 Å²	120.5	79%	0.791	67%	0.671	S	S	*	*			trans	-142.7	167	167.5	-88.2	-56.7	0	0	0	110.2	T757	T757-D759 PolarHBondContact O-N 3.21Å; T757-D759 VanDerWaalsContact O-N 3.11Å
760	D	37.9	Very low	41	Very low	120 Å²	120	125.3 Å²	125.3	64%	0.642	67%	0.673	S	S	*	*			trans	62.9	53.7	176.3	-73.3	-30.1	0	0	0	118.3	S762 A763	D760-S762 PolarHBondContact O-N 2.87Å; D760-A763 HydrophobicContact CB-CB 4.19Å; D760-A763 PolarHBondContact O-N 2.87Å
761	E	38.1	Very low	42.3	Very low	157 Å²	157	128.8 Å²	128.8	73%	0.734	68%	0.675	S	S	*	*	H	α-helix	trans	-54.1	-24.5	167.8	-162.2	-173.3	-161.7	0	0	113.5
762	S	44.1	Very low	43.9	Very low	91 Å²	91	122.3 Å²	122.3	64%	0.636	66%	0.658	S	S	*	*	H	α-helix	trans	-68.7	-38.4	176.1	73.6	0	0	0	0	113.3	D760 K765	D760-S762 PolarHBondContact O-N 2.87Å; S762-K765 PolarHBondContact O-N 2.99Å
763	A	39.8	Very low	45.5	Very low	46 Å²	46	118.6 Å²	118.6	38%	0.38	64%	0.641	S	S	.	*	H	α-helix	trans	-67.4	-40.6	179.8	0	0	0	0	0	111	D760 K765 S766 V767	D760-A763 HydrophobicContact CB-CB 4.19Å; D760-A763 PolarHBondContact O-N 2.87Å; A763-K765 VanDerWaalsContact C-N 3.27Å; A763-K765 PolarHBondContact O-N 3.07Å; A763-S766 PolarHBondContact O-N 3.01Å; A763-S766 PolarHBondContact O-OG 3.02Å; A763-V767 PolarHBondContact O-N 3.09Å; A763-V767 VanDerWaalsContact O-N 3.15Å
764	C	37.5	Very low	47	Very low	64 Å²	64	113 Å²	113	43%	0.432	62%	0.616	S	S	.	*	H	α-helix	trans	-58.4	-34.9	179.5	-172.2	0	0	0	0	112.9	V767 K768	C764-V767 PolarHBondContact O-N 3.27Å; C764-K768 WeakPolarHBondContact O-CG 3.26Å; C764-K768 PolarHBondContact O-N 2.81Å
765	K	42.8	Very low	48.9	Very low	146 Å²	146	111.6 Å²	111.6	64%	0.635	60%	0.603	S	S	*	*	H	α-helix	trans	-65.4	-40.2	173.5	-69.3	-177.2	-179.6	176.2	0	112.5	S762 A763 V767 K768 S769	S762-K765 PolarHBondContact O-N 2.99Å; A763-K765 VanDerWaalsContact C-N 3.27Å; A763-K765 PolarHBondContact O-N 3.07Å; K765-V767 VanDerWaalsContact C-N 3.35Å; K765-V767 PolarHBondContact O-N 2.88Å; K765-K768 PolarHBondContact O-N 3.15Å; K765-S769 PolarHBondContact O-N 2.93Å
766	S	50.2	Low	50.9	Low	59 Å²	59	110.4 Å²	110.4	41%	0.413	59%	0.587	S	S	.	*	H	α-helix	trans	-67.5	-34	177.4	77.9	0	0	0	0	113	A763 R770	A763-S766 PolarHBondContact O-N 3.01Å; A763-S766 PolarHBondContact O-OG 3.02Å; S766-R770 WeakPolarHBondContact O-CB 3.26Å; S766-R770 WeakPolarHBondContact O-CG 3.43Å; S766-R770 PolarHBondContact O-N 2.84Å; S766-R770 VanDerWaalsContact O-N 3.07Å
767	V	51.9	Low	52.2	Low	96 Å²	96	105.9 Å²	105.9	58%	0.582	56%	0.563	S	S	*	*	H	α-helix	trans	-71.8	-37.7	176.1	177.7	0	0	0	0	111.4	A763 C764 K765 R771	A763-V767 PolarHBondContact O-N 3.09Å; A763-V767 VanDerWaalsContact O-N 3.15Å; C764-V767 PolarHBondContact O-N 3.27Å; K765-V767 VanDerWaalsContact C-N 3.35Å; K765-V767 PolarHBondContact O-N 2.88Å; V767-R771 WeakPolarHBondContact O-CB 3.38Å; V767-R771 PolarHBondContact O-N 3.36Å
768	K	57.2	Low	53.6	Low	147 Å²	147	103.1 Å²	103.1	64%	0.639	55%	0.547	S	S	*	.	H	α-helix	trans	-67.1	-42.6	173.8	-73.9	178.4	178.1	-178.7	0	112.4	C764 K765 R771 A772	C764-K768 WeakPolarHBondContact O-CG 3.26Å; C764-K768 PolarHBondContact O-N 2.81Å; K765-K768 PolarHBondContact O-N 3.15Å; K768-R771 PolarHBondContact O-N 3.09Å; K768-A772 PolarHBondContact O-N 2.94Å
769	S	61.4	Low	55.5	Low	61 Å²	61	100.5 Å²	100.5	43%	0.427	53%	0.527	S	S	.	.	H	α-helix	trans	-56.6	-56.1	174	-165	0	0	0	0	110.9	K765 R771 A772 E773	K765-S769 PolarHBondContact O-N 2.93Å; S769-R771 PolarHBondContact O-N 3.5Å; S769-R771 VanDerWaalsContact O-N 3.1Å; S769-A772 PolarHBondContact O-N 2.88Å; S769-E773 VanDerWaalsContact CB-OE1 3.29Å; S769-E773 WeakPolarHBondContact CB-OE1 3.46Å; S769-E773 VanDerWaalsContact O-CG 3.29Å; S769-E773 WeakPolarHBondContact O-CG 3.24Å; S769-E773 PolarHBondContact O-N 3.1Å; S769-E773 PolarHBondContact OG-OE1 3.24Å
770	R	56.3	Low	56.9	Low	181 Å²	181	99 Å²	99	68%	0.683	52%	0.515	S	S	*	.	H	α-helix	trans	-60.5	-24.4	178.4	-77.5	175.9	167.3	169.7	-4.1	114.6	S766 E773 L774	S766-R770 WeakPolarHBondContact O-CB 3.26Å; S766-R770 WeakPolarHBondContact O-CG 3.43Å; S766-R770 PolarHBondContact O-N 2.84Å; S766-R770 VanDerWaalsContact O-N 3.07Å; R770-E773 PolarHBondContact N-OE1 3.45Å; R770-L774 VanDerWaalsContact O-CB 3.29Å; R770-L774 WeakPolarHBondContact O-CB 3.16Å; R770-L774 PolarHBondContact O-N 2.81Å; R770-L774 VanDerWaalsContact O-N 3.15Å
771	R	64.9	Low	57.9	Low	168 Å²	168	96.4 Å²	96.4	63%	0.634	50%	0.501	S	S	*	.	H	α-helix	trans	-78.4	-42	173.8	-174	166	-176	161.5	4.3	111.9	V767 K768 S769 L774 D775	V767-R771 WeakPolarHBondContact O-CB 3.38Å; V767-R771 PolarHBondContact O-N 3.36Å; K768-R771 PolarHBondContact O-N 3.09Å; S769-R771 PolarHBondContact O-N 3.5Å; S769-R771 VanDerWaalsContact O-N 3.1Å; R771-L774 PolarHBondContact O-N 3.01Å; R771-D775 WeakPolarHBondContact CG-OD2 2.99Å; R771-D775 IonicContact NE-OD2 3.82Å; R771-D775 WeakPolarHBondContact O-CB 3.42Å; R771-D775 PolarHBondContact O-N 2.88Å
772	A	68.6	Low	59.5	Low	60 Å²	60	94.5 Å²	94.5	50%	0.496	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-44.8	171.6	0	0	0	0	0	111.5	K768 S769 L774 D775 E776	K768-A772 PolarHBondContact O-N 2.94Å; S769-A772 PolarHBondContact O-N 2.88Å; A772-L774 VanDerWaalsContact C-N 3.25Å; A772-L774 PolarHBondContact O-N 3.25Å; A772-D775 PolarHBondContact O-N 3.27Å; A772-E776 WeakPolarHBondContact O-CB 3.24Å; A772-E776 PolarHBondContact O-N 2.82Å
773	E	66.3	Low	60.2	Low	107 Å²	107	96.6 Å²	96.6	50%	0.5	49%	0.492	S	S	.	.	H	α-helix	trans	-55.2	-39.1	172.8	-67.4	154.5	-136.9	0	0	112.2	S769 R770 A777	S769-E773 VanDerWaalsContact CB-OE1 3.29Å; S769-E773 WeakPolarHBondContact CB-OE1 3.46Å; S769-E773 VanDerWaalsContact O-CG 3.29Å; S769-E773 WeakPolarHBondContact O-CG 3.24Å; S769-E773 PolarHBondContact O-N 3.1Å; S769-E773 PolarHBondContact OG-OE1 3.24Å; R770-E773 PolarHBondContact N-OE1 3.45Å; E773-A777 WeakPolarHBondContact O-CB 3.36Å; E773-A777 PolarHBondContact O-N 2.85Å; E773-A777 VanDerWaalsContact O-N 3.17Å
774	L	62.2	Low	60.8	Low	64 Å²	64	99.3 Å²	99.3	34%	0.335	50%	0.5	S	S	.	.	H	α-helix	trans	-76.4	-43.7	178.2	-178.7	64	0	0	0	112.9	F744 R770 R771 A772 E776 A777 V778	F744-L774 HydrophobicContact CE2-CD1 4.29Å; R770-L774 VanDerWaalsContact O-CB 3.29Å; R770-L774 WeakPolarHBondContact O-CB 3.16Å; R770-L774 PolarHBondContact O-N 2.81Å; R770-L774 VanDerWaalsContact O-N 3.15Å; R771-L774 PolarHBondContact O-N 3.01Å; A772-L774 VanDerWaalsContact C-N 3.25Å; A772-L774 PolarHBondContact O-N 3.25Å; L774-E776 PolarHBondContact O-N 3.42Å; L774-A777 PolarHBondContact O-N 2.86Å; L774-V778 WeakPolarHBondContact O-CG2 3.38Å; L774-V778 PolarHBondContact O-N 3.36Å
775	D	71.5	Confident	62.1	Low	82 Å²	82	102.3 Å²	102.3	44%	0.439	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-33	179.1	-68	-28.3	0	0	0	110	R771 A772 K779	R771-D775 WeakPolarHBondContact CG-OD2 2.99Å; R771-D775 IonicContact NE-OD2 3.82Å; R771-D775 WeakPolarHBondContact O-CB 3.42Å; R771-D775 PolarHBondContact O-N 2.88Å; A772-D775 PolarHBondContact O-N 3.27Å; D775-K779 PolarHBondContact O-N 3.39Å
776	E	75	Confident	63	Low	94 Å²	94	102.5 Å²	102.5	44%	0.439	51%	0.506	S	S	.	.	H	α-helix	trans	-71.7	-46.3	172.6	-154.8	61.9	-130.8	0	0	112.9	A772 L774 V778 K779 E780	A772-E776 WeakPolarHBondContact O-CB 3.24Å; A772-E776 PolarHBondContact O-N 2.82Å; L774-E776 PolarHBondContact O-N 3.42Å; E776-V778 PolarHBondContact O-N 3.37Å; E776-K779 WeakPolarHBondContact O-CA 3.45Å; E776-K779 WeakPolarHBondContact O-CB 3.45Å; E776-K779 PolarHBondContact O-N 2.91Å; E776-K779 VanDerWaalsContact OE1-CD 3.31Å; E776-K779 WeakPolarHBondContact OE1-CD 3.45Å; E776-K779 WeakPolarHBondContact OE1-CE 3.43Å; E776-K779 IonicContact OE1-NZ 2.81Å; E776-K779 PolarHBondContact OE1-NZ 3.22Å; E776-K779 WeakPolarHBondContact OE2-CE 3.39Å; E776-K779 IonicContact OE2-NZ 2.61Å; E776-K779 PolarHBondContact OE2-NZ 3.4Å; E776-E780 PolarHBondContact O-N 2.89Å
777	A	60.1	Low	62.9	Low	44 Å²	44	102 Å²	102	36%	0.364	50%	0.5	S	S	.	.	H	α-helix	trans	-60.4	-27.1	175.4	0	0	0	0	0	112.6	E773 L774 L781	E773-A777 WeakPolarHBondContact O-CB 3.36Å; E773-A777 PolarHBondContact O-N 2.85Å; E773-A777 VanDerWaalsContact O-N 3.17Å; L774-A777 PolarHBondContact O-N 2.86Å; A777-L781 VanDerWaalsContact O-CB 3.32Å; A777-L781 WeakPolarHBondContact O-CB 3.15Å; A777-L781 PolarHBondContact O-N 3.42Å; A777-L781 VanDerWaalsContact O-N 3.09Å
778	V	69	Low	62.8	Low	61 Å²	61	103.2 Å²	103.2	37%	0.37	50%	0.5	S	S	.	.	H	α-helix	trans	-69.7	-40.2	170.6	168.9	0	0	0	0	111.6	L774 E776 L781 E782	L774-V778 WeakPolarHBondContact O-CG2 3.38Å; L774-V778 PolarHBondContact O-N 3.36Å; E776-V778 PolarHBondContact O-N 3.37Å; V778-L781 PolarHBondContact O-N 3.43Å; V778-E782 PolarHBondContact O-N 3.28Å
779	K	73.1	Confident	63	Low	114 Å²	114	103.4 Å²	103.4	50%	0.496	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-46	173.5	-59.7	-172.3	-146	150	0	111.8	D775 E776 L781 E782 Q783	D775-K779 PolarHBondContact O-N 3.39Å; E776-K779 WeakPolarHBondContact O-CA 3.45Å; E776-K779 WeakPolarHBondContact O-CB 3.45Å; E776-K779 PolarHBondContact O-N 2.91Å; E776-K779 VanDerWaalsContact OE1-CD 3.31Å; E776-K779 WeakPolarHBondContact OE1-CD 3.45Å; E776-K779 WeakPolarHBondContact OE1-CE 3.43Å; E776-K779 IonicContact OE1-NZ 2.81Å; E776-K779 PolarHBondContact OE1-NZ 3.22Å; E776-K779 WeakPolarHBondContact OE2-CE 3.39Å; E776-K779 IonicContact OE2-NZ 2.61Å; E776-K779 PolarHBondContact OE2-NZ 3.4Å; K779-L781 VanDerWaalsContact C-N 3.28Å; K779-L781 PolarHBondContact O-N 2.85Å; K779-E782 PolarHBondContact O-N 3.25Å; K779-Q783 PolarHBondContact O-N 2.9Å
780	E	66.5	Low	62.1	Low	118 Å²	118	105.2 Å²	105.2	55%	0.551	50%	0.504	S	S	*	.	H	α-helix	trans	-56.6	-44.1	175.2	-73.1	-164.3	132.1	0	0	110.9	E776 E782 Q783 L784	E776-E780 PolarHBondContact O-N 2.89Å; E780-E782 VanDerWaalsContact C-N 3.33Å; E780-E782 PolarHBondContact O-N 3.02Å; E780-Q783 PolarHBondContact O-N 2.89Å; E780-L784 WeakPolarHBondContact O-CB 3.4Å; E780-L784 WeakPolarHBondContact O-CG 3.43Å; E780-L784 PolarHBondContact O-N 2.91Å
781	L	60.3	Low	61.2	Low	65 Å²	65	102.9 Å²	102.9	34%	0.34	50%	0.496	S	S	.	.	H	α-helix	trans	-70.9	-25.6	-179.7	-166.7	139	0	0	0	113.2	A777 V778 K779 K785	A777-L781 VanDerWaalsContact O-CB 3.32Å; A777-L781 WeakPolarHBondContact O-CB 3.15Å; A777-L781 PolarHBondContact O-N 3.42Å; A777-L781 VanDerWaalsContact O-N 3.09Å; V778-L781 PolarHBondContact O-N 3.43Å; K779-L781 VanDerWaalsContact C-N 3.28Å; K779-L781 PolarHBondContact O-N 2.85Å; L781-K785 HydrophobicContact CD2-CD 4.18Å; L781-K785 VanDerWaalsContact CD2-CE 3.47Å; L781-K785 WeakPolarHBondContact O-CG 3.08Å; L781-K785 PolarHBondContact O-N 3.46Å; L781-K785 VanDerWaalsContact O-N 3.15Å
782	E	69.9	Low	60.5	Low	117 Å²	117	99 Å²	99	55%	0.547	49%	0.485	S	S	.	.	H	α-helix	trans	-75.7	-38.1	168.1	-72.6	-163.4	162.1	0	0	112.9	V778 K779 E780 K785 K786	V778-E782 PolarHBondContact O-N 3.28Å; K779-E782 PolarHBondContact O-N 3.25Å; E780-E782 VanDerWaalsContact C-N 3.33Å; E780-E782 PolarHBondContact O-N 3.02Å; E782-K785 PolarHBondContact O-N 3.36Å; E782-K786 WeakPolarHBondContact O-CG 3.12Å; E782-K786 PolarHBondContact O-N 3.35Å
783	Q	59.6	Low	59.4	Low	135 Å²	135	100.8 Å²	100.8	63%	0.631	49%	0.486	S	S	*	.	H	α-helix	trans	-62.1	-43.7	170.3	-77.1	-163.4	-8.2	0	0	111.5	K779 E780 K785 K786 T787	K779-Q783 PolarHBondContact O-N 2.9Å; E780-Q783 PolarHBondContact O-N 2.89Å; Q783-K785 VanDerWaalsContact C-N 3.31Å; Q783-K785 PolarHBondContact O-N 3.33Å; Q783-K786 WeakPolarHBondContact O-CB 3.35Å; Q783-K786 PolarHBondContact O-N 3.25Å; Q783-K786 VanDerWaalsContact O-N 3.07Å; Q783-T787 PolarHBondContact O-N 3.44Å; Q783-T787 PolarHBondContact O-OG1 2.96Å
784	L	53.4	Low	58	Low	103 Å²	103	100.6 Å²	100.6	54%	0.539	49%	0.488	S	S	.	.	H	α-helix	trans	-61.5	-36.2	175.5	-75.4	166.9	0	0	0	112.4	E780 T787 Q788	E780-L784 WeakPolarHBondContact O-CB 3.4Å; E780-L784 WeakPolarHBondContact O-CG 3.43Å; E780-L784 PolarHBondContact O-N 2.91Å; L784-T787 WeakPolarHBondContact CA-OG1 3.28Å; L784-T787 PolarHBondContact O-OG1 2.93Å; L784-Q788 WeakPolarHBondContact O-CB 3.33Å; L784-Q788 PolarHBondContact O-N 3.03Å
785	K	64.1	Low	57.1	Low	126 Å²	126	102.3 Å²	102.3	55%	0.548	49%	0.492	S	S	.	.	H	α-helix	trans	-67.4	-38.4	171.4	-77.2	168.2	179.3	168.1	0	112.6	L781 E782 Q783 K789	L781-K785 HydrophobicContact CD2-CD 4.18Å; L781-K785 VanDerWaalsContact CD2-CE 3.47Å; L781-K785 WeakPolarHBondContact O-CG 3.08Å; L781-K785 PolarHBondContact O-N 3.46Å; L781-K785 VanDerWaalsContact O-N 3.15Å; E782-K785 PolarHBondContact O-N 3.36Å; Q783-K785 VanDerWaalsContact C-N 3.31Å; Q783-K785 PolarHBondContact O-N 3.33Å; K785-K789 WeakPolarHBondContact O-CB 3.27Å; K785-K789 PolarHBondContact O-N 3.38Å
786	K	62	Low	55.7	Low	150 Å²	150	99.9 Å²	99.9	65%	0.652	49%	0.487	S	S	*	.	H	α-helix	trans	-64.7	-48.2	175.1	-73.7	177.5	178.1	-177.1	0	111.2	E782 Q783 K789 M790	E782-K786 WeakPolarHBondContact O-CG 3.12Å; E782-K786 PolarHBondContact O-N 3.35Å; Q783-K786 WeakPolarHBondContact O-CB 3.35Å; Q783-K786 PolarHBondContact O-N 3.25Å; Q783-K786 VanDerWaalsContact O-N 3.07Å; K786-K789 PolarHBondContact O-N 3.41Å; K786-M790 WeakPolarHBondContact O-CB 3.36Å; K786-M790 PolarHBondContact O-N 2.95Å
787	T	47.6	Very low	54	Low	48 Å²	48	101.3 Å²	101.3	29%	0.294	49%	0.488	S	S	.	.	H	α-helix	trans	-67.6	-36.5	177.5	55.5	0	0	0	0	112.1	Q783 L784 M790 Y791 V860	Q783-T787 PolarHBondContact O-N 3.44Å; Q783-T787 PolarHBondContact O-OG1 2.96Å; L784-T787 WeakPolarHBondContact CA-OG1 3.28Å; L784-T787 PolarHBondContact O-OG1 2.93Å; T787-M790 WeakPolarHBondContact O-CB 3.1Å; T787-M790 PolarHBondContact O-N 2.84Å; T787-Y791 WeakPolarHBondContact O-CB 3.4Å; T787-Y791 PolarHBondContact O-N 3.34Å; T787-V860 HydrophobicContact CG2-CG1 4Å
788	Q	50.9	Low	52.8	Low	123 Å²	123	104.3 Å²	104.3	58%	0.575	50%	0.498	S	S	*	.	H	α-helix	trans	-64	-42.3	172.3	-171.7	-179.7	14.9	0	0	112.2	L784 M790 Y791 E792	L784-Q788 WeakPolarHBondContact O-CB 3.33Å; L784-Q788 PolarHBondContact O-N 3.03Å; Q788-M790 VanDerWaalsContact C-N 3.32Å; Q788-M790 PolarHBondContact O-N 3.44Å; Q788-Y791 PolarHBondContact O-N 3.02Å; Q788-E792 PolarHBondContact O-N 3.17Å
789	K	60.9	Low	51.7	Low	151 Å²	151	104.4 Å²	104.4	66%	0.657	50%	0.501	S	S	*	.	H	α-helix	trans	-63.2	-40	173.9	-171.2	-174.5	178	-166.9	0	111.3	K785 K786 N793	K785-K789 WeakPolarHBondContact O-CB 3.27Å; K785-K789 PolarHBondContact O-N 3.38Å; K786-K789 PolarHBondContact O-N 3.41Å; K789-N793 WeakPolarHBondContact O-CB 3.49Å; K789-N793 PolarHBondContact O-N 3.49Å
790	M	41.7	Very low	50.1	Low	99 Å²	99	100.8 Å²	100.8	49%	0.488	49%	0.488	S	S	.	.	H	α-helix	trans	-63.6	-40.9	174.6	-164.5	-165.2	-62.6	0	0	111.6	K786 T787 Q788 N793 L794	K786-M790 WeakPolarHBondContact O-CB 3.36Å; K786-M790 PolarHBondContact O-N 2.95Å; T787-M790 WeakPolarHBondContact O-CB 3.1Å; T787-M790 PolarHBondContact O-N 2.84Å; Q788-M790 VanDerWaalsContact C-N 3.32Å; Q788-M790 PolarHBondContact O-N 3.44Å; M790-N793 PolarHBondContact O-N 2.94Å; M790-L794 HydrophobicContact CG-CD1 4.33Å; M790-L794 WeakPolarHBondContact O-CB 3.43Å; M790-L794 WeakPolarHBondContact O-CG 3.48Å; M790-L794 PolarHBondContact O-N 3.5Å
791	Y	37.3	Very low	48.9	Very low	132 Å²	132	98.2 Å²	98.2	52%	0.518	48%	0.476	S	S	.	.	H	α-helix	trans	-65.9	-46.2	176.3	178.5	-94.7	0	0	0	112.5	T787 Q788 N793 L794 K795	T787-Y791 WeakPolarHBondContact O-CB 3.4Å; T787-Y791 PolarHBondContact O-N 3.34Å; Q788-Y791 PolarHBondContact O-N 3.02Å; Y791-N793 VanDerWaalsContact C-N 3.33Å; Y791-N793 PolarHBondContact O-N 3.4Å; Y791-L794 PolarHBondContact O-N 3.18Å; Y791-K795 HydrophobicContact CD1-CD 4.36Å; Y791-K795 HydrophobicContact CE1-CD 3.75Å; Y791-K795 WeakPolarHBondContact O-CB 3.31Å; Y791-K795 PolarHBondContact O-N 3Å
792	E	51.3	Low	48	Very low	86 Å²	86	102.3 Å²	102.3	40%	0.402	49%	0.491	S	S	.	.	H	α-helix	trans	-66.1	-35.2	175.5	-69.5	-61.7	142.4	0	0	111.8	Q788 K795 G796	Q788-E792 PolarHBondContact O-N 3.17Å; E792-K795 PolarHBondContact O-N 3.04Å; E792-K795 IonicContact OE1-NZ 3.22Å; E792-K795 PolarHBondContact OE1-NZ 3.28Å; E792-K795 WeakPolarHBondContact OE2-CD 3.2Å; E792-K795 IonicContact OE2-NZ 3.52Å; E792-K795 PolarHBondContact OE2-NZ 2.86Å; E792-G796 PolarHBondContact O-N 3.04Å
793	N	44.7	Very low	46.8	Very low	98 Å²	98	100.7 Å²	100.7	52%	0.524	49%	0.486	S	S	.	.	H	α-helix	trans	-62	-44.9	168.9	-86.7	-2.5	0	0	0	112.1	K789 M790 Y791 G796 R797	K789-N793 WeakPolarHBondContact O-CB 3.49Å; K789-N793 PolarHBondContact O-N 3.49Å; M790-N793 PolarHBondContact O-N 2.94Å; Y791-N793 VanDerWaalsContact C-N 3.33Å; Y791-N793 PolarHBondContact O-N 3.4Å; N793-G796 PolarHBondContact O-N 2.99Å; N793-R797 WeakPolarHBondContact O-CB 3.41Å; N793-R797 WeakPolarHBondContact O-CG 3.36Å; N793-R797 PolarHBondContact O-N 3.04Å
794	L	36.9	Very low	45.8	Very low	103 Å²	103	94.8 Å²	94.8	54%	0.539	46%	0.459	S	S	.	.	H	α-helix	trans	-64.3	-40.8	176.8	-86.5	161.5	0	0	0	112.2	M790 Y791 R797 L798	M790-L794 HydrophobicContact CG-CD1 4.33Å; M790-L794 WeakPolarHBondContact O-CB 3.43Å; M790-L794 WeakPolarHBondContact O-CG 3.48Å; M790-L794 PolarHBondContact O-N 3.5Å; Y791-L794 PolarHBondContact O-N 3.18Å; L794-R797 CarbonylContact O-C 3.53Å; L794-R797 PolarHBondContact O-N 2.89Å; L794-L798 VanDerWaalsContact O-CB 3.3Å; L794-L798 WeakPolarHBondContact O-CB 3.47Å; L794-L798 PolarHBondContact O-N 3.12Å
795	K	42.8	Very low	45.1	Very low	99 Å²	99	93.8 Å²	93.8	43%	0.43	46%	0.457	S	S	.	.	H	α-helix	trans	-67.6	-38.2	176.6	178.7	178.5	163	-144.1	0	111.9	Y791 E792 L798 S799	Y791-K795 HydrophobicContact CD1-CD 4.36Å; Y791-K795 HydrophobicContact CE1-CD 3.75Å; Y791-K795 WeakPolarHBondContact O-CB 3.31Å; Y791-K795 PolarHBondContact O-N 3Å; E792-K795 PolarHBondContact O-N 3.04Å; E792-K795 IonicContact OE1-NZ 3.22Å; E792-K795 PolarHBondContact OE1-NZ 3.28Å; E792-K795 WeakPolarHBondContact OE2-CD 3.2Å; E792-K795 IonicContact OE2-NZ 3.52Å; E792-K795 PolarHBondContact OE2-NZ 2.86Å; K795-L798 PolarHBondContact O-N 3.36Å; K795-S799 PolarHBondContact O-N 3.24Å
796	G	43.9	Very low	43.9	Very low	31 Å²	31	90.2 Å²	90.2	32%	0.32	45%	0.448	S	S	.	.	H	α-helix	trans	-64.1	-45.8	168.4	0	0	0	0	0	112.3	E792 N793 L798 S799 T800	E792-G796 PolarHBondContact O-N 3.04Å; N793-G796 PolarHBondContact O-N 2.99Å; G796-L798 VanDerWaalsContact C-N 3.29Å; G796-L798 PolarHBondContact O-N 3.49Å; G796-S799 PolarHBondContact O-N 3.37Å; G796-S799 PolarHBondContact O-OG 2.86Å; G796-T800 PolarHBondContact O-N 2.96Å; G796-T800 PolarHBondContact O-OG1 3.2Å
797	R	38	Very low	42.7	Very low	125 Å²	125	85.1 Å²	85.1	47%	0.472	43%	0.432	S	S	.	.	H	α-helix	trans	-65.3	-30.6	174.3	-71.2	179.6	75.6	-172	2.1	112.7	N793 L794 T800 H801	N793-R797 WeakPolarHBondContact O-CB 3.41Å; N793-R797 WeakPolarHBondContact O-CG 3.36Å; N793-R797 PolarHBondContact O-N 3.04Å; L794-R797 CarbonylContact O-C 3.53Å; L794-R797 PolarHBondContact O-N 2.89Å; R797-T800 WeakPolarHBondContact CA-OG1 3.41Å; R797-T800 PolarHBondContact O-OG1 3.49Å; R797-T800 VanDerWaalsContact O-OG1 3.13Å; R797-H801 WeakPolarHBondContact O-CB 3.32Å; R797-H801 PolarHBondContact O-N 2.99Å
798	L	36.3	Very low	42.1	Very low	107 Å²	107	84.3 Å²	84.3	56%	0.56	43%	0.43	S	S	*	.	H	α-helix	trans	-75.7	-30.1	174.9	-167	69.4	0	0	0	112.1	L794 K795 G796 K802	L794-L798 VanDerWaalsContact O-CB 3.3Å; L794-L798 WeakPolarHBondContact O-CB 3.47Å; L794-L798 PolarHBondContact O-N 3.12Å; K795-L798 PolarHBondContact O-N 3.36Å; G796-L798 VanDerWaalsContact C-N 3.29Å; G796-L798 PolarHBondContact O-N 3.49Å; L798-K802 WeakPolarHBondContact O-CB 3.46Å; L798-K802 WeakPolarHBondContact O-CG 3.48Å; L798-K802 PolarHBondContact O-N 3.16Å
799	S	44	Very low	41.4	Very low	62 Å²	62	82 Å²	82	43%	0.434	43%	0.431	S	S	.	.	H	α-helix	trans	-75.4	-41.2	172.8	73.3	0	0	0	0	111.8	K795 G796 K802 L803	K795-S799 PolarHBondContact O-N 3.24Å; G796-S799 PolarHBondContact O-N 3.37Å; G796-S799 PolarHBondContact O-OG 2.86Å; S799-K802 PolarHBondContact O-N 2.56Å; S799-L803 WeakPolarHBondContact O-CB 3.49Å; S799-L803 WeakPolarHBondContact O-CG 3.23Å; S799-L803 PolarHBondContact O-N 3.4Å
800	T	41.3	Very low	40.3	Very low	38 Å²	38	82.5 Å²	82.5	23%	0.233	44%	0.436	C	S	.	.	H	α-helix	trans	-66.1	-36.4	171	60.5	0	0	0	0	111.8	G796 R797 L803 C804	G796-T800 PolarHBondContact O-N 2.96Å; G796-T800 PolarHBondContact O-OG1 3.2Å; R797-T800 WeakPolarHBondContact CA-OG1 3.41Å; R797-T800 PolarHBondContact O-OG1 3.49Å; R797-T800 VanDerWaalsContact O-OG1 3.13Å; T800-L803 PolarHBondContact O-N 3.38Å; T800-C804 WeakPolarHBondContact O-CB 3.28Å; T800-C804 PolarHBondContact O-N 3.05Å; T800-C804 PolarHBondContact O-SG 3.11Å
801	H	41.4	Very low	40	Very low	64 Å²	64	82.9 Å²	82.9	30%	0.296	44%	0.44	S	S	.	.	H	α-helix	trans	-64.3	-44.5	173.6	-163.3	-91	0	0	0	111.6	R797 L803 C804 V805 Y837	R797-H801 WeakPolarHBondContact O-CB 3.32Å; R797-H801 PolarHBondContact O-N 2.99Å; H801-L803 VanDerWaalsContact C-N 3.34Å; H801-L803 PolarHBondContact O-N 3.27Å; H801-C804 PolarHBondContact O-N 2.78Å; H801-V805 WeakPolarHBondContact O-CB 3.06Å; H801-V805 VanDerWaalsContact O-CG2 3.27Å; H801-V805 WeakPolarHBondContact O-CG2 3.24Å; H801-V805 PolarHBondContact O-N 3.43Å; H801-Y837 AromaticContact NE2-CE2 3.9Å; H801-Y837 AromaticContact NE2-CZ 3.85Å; H801-Y837 PolarHBondContact NE2-OH 3.33Å
802	K	40.8	Very low	39.7	Very low	152 Å²	152	83.3 Å²	83.3	66%	0.661	44%	0.441	S	S	*	.	H	α-helix	trans	-59.5	-40.6	171.3	-83.7	-177.4	174.1	178.3	0	112.9	L798 S799 S806	L798-K802 WeakPolarHBondContact O-CB 3.46Å; L798-K802 WeakPolarHBondContact O-CG 3.48Å; L798-K802 PolarHBondContact O-N 3.16Å; S799-K802 PolarHBondContact O-N 2.56Å; K802-S806 WeakPolarHBondContact O-CB 3.48Å; K802-S806 PolarHBondContact O-N 3.13Å; K802-S806 PolarHBondContact O-OG 3.17Å
803	L	44	Very low	38.9	Very low	82 Å²	82	82.2 Å²	82.2	43%	0.429	44%	0.438	S	S	.	.	H	α-helix	trans	-62.7	-55	174.7	-81.2	161.8	0	0	0	110.9	S799 T800 H801 V805 S806 S807	S799-L803 WeakPolarHBondContact O-CB 3.49Å; S799-L803 WeakPolarHBondContact O-CG 3.23Å; S799-L803 PolarHBondContact O-N 3.4Å; T800-L803 PolarHBondContact O-N 3.38Å; H801-L803 VanDerWaalsContact C-N 3.34Å; H801-L803 PolarHBondContact O-N 3.27Å; L803-V805 VanDerWaalsContact C-N 3.31Å; L803-V805 PolarHBondContact O-N 3.38Å; L803-S806 CarbonylContact O-C 3.58Å; L803-S806 WeakPolarHBondContact O-CA 3.4Å; L803-S806 PolarHBondContact O-N 2.89Å; L803-S806 PolarHBondContact O-OG 2.8Å; L803-S807 PolarHBondContact O-N 3.24Å; L803-S807 PolarHBondContact O-OG 2.87Å
804	C	38.8	Very low	38.5	Very low	11 Å²	11	87.8 Å²	87.8	7%	0.074	45%	0.452	C	S	.	.	H	α-helix	trans	-59.5	-37.3	178.9	-65.4	0	0	0	0	112.6	T800 H801 S807 A808 C828 L831	T800-C804 WeakPolarHBondContact O-CB 3.28Å; T800-C804 PolarHBondContact O-N 3.05Å; T800-C804 PolarHBondContact O-SG 3.11Å; H801-C804 PolarHBondContact O-N 2.78Å; C804-S807 PolarHBondContact O-N 2.85Å; C804-A808 WeakPolarHBondContact O-CB 3.49Å; C804-A808 PolarHBondContact O-N 2.98Å; C804-C828 HydrophobicContact CB-CB 4.14Å; C804-C828 WeakPolarHBondContact CB-SG 3.44Å; C804-C828 VanDerWaalsContact SG-CA 3.53Å; C804-C828 WeakPolarHBondContact SG-CB 3.38Å; C804-C828 CovalentContact SG-SG 2.04Å; C804-C828 PolarHBondContact SG-SG 3.06Å; C804-L831 HydrophobicContact CB-CD1 3.81Å
805	V	38.3	Very low	38.5	Very low	82 Å²	82	88 Å²	88	50%	0.497	45%	0.454	S	S	.	.	H	α-helix	trans	-64.6	-42.9	171.6	168.6	0	0	0	0	111.2	H801 L803 A809	H801-V805 WeakPolarHBondContact O-CB 3.06Å; H801-V805 VanDerWaalsContact O-CG2 3.27Å; H801-V805 WeakPolarHBondContact O-CG2 3.24Å; H801-V805 PolarHBondContact O-N 3.43Å; L803-V805 VanDerWaalsContact C-N 3.31Å; L803-V805 PolarHBondContact O-N 3.38Å; V805-A809 WeakPolarHBondContact O-CB 3.45Å; V805-A809 PolarHBondContact O-N 3.19Å
806	S	38.6	Very low	38	Very low	51 Å²	51	89.4 Å²	89.4	36%	0.357	46%	0.457	S	S	.	.	H	α-helix	trans	-69.3	-31.5	177.9	76	0	0	0	0	113.7	K802 L803 Q810	K802-S806 WeakPolarHBondContact O-CB 3.48Å; K802-S806 PolarHBondContact O-N 3.13Å; K802-S806 PolarHBondContact O-OG 3.17Å; L803-S806 CarbonylContact O-C 3.58Å; L803-S806 WeakPolarHBondContact O-CA 3.4Å; L803-S806 PolarHBondContact O-N 2.89Å; L803-S806 PolarHBondContact O-OG 2.8Å; S806-Q810 WeakPolarHBondContact O-CG 3.26Å; S806-Q810 PolarHBondContact O-N 2.61Å; S806-Q810 PolarHBondContact O-NE2 3.27Å
807	S	37.4	Very low	37.2	Very low	44 Å²	44	91.3 Å²	91.3	31%	0.308	48%	0.477	S	S	.	.	H	α-helix	trans	-77.4	-40.4	175.1	-61.4	0	0	0	0	111.6	L803 C804 A809 Q810 L811	L803-S807 PolarHBondContact O-N 3.24Å; L803-S807 PolarHBondContact O-OG 2.87Å; C804-S807 PolarHBondContact O-N 2.85Å; S807-A809 VanDerWaalsContact C-N 3.27Å; S807-A809 PolarHBondContact O-N 3Å; S807-Q810 PolarHBondContact O-N 3Å; S807-L811 WeakPolarHBondContact O-CG 3.46Å; S807-L811 PolarHBondContact O-N 3.39Å
808	A	35	Very low	36.8	Very low	31 Å²	31	88.6 Å²	88.6	26%	0.256	48%	0.477	S	S	.	.	H	α-helix	trans	-61.4	-36.2	172.2	0	0	0	0	0	111.9	C804 Q810 L811 Y812 F819	C804-A808 WeakPolarHBondContact O-CB 3.49Å; C804-A808 PolarHBondContact O-N 2.98Å; A808-Q810 VanDerWaalsContact C-N 3.31Å; A808-Q810 PolarHBondContact O-N 3.07Å; A808-L811 PolarHBondContact O-N 2.92Å; A808-Y812 PolarHBondContact O-N 3.26Å; A808-F819 HydrophobicContact CB-CE1 4.4Å; A808-F819 HydrophobicContact CB-CZ 4.28Å
809	A	37	Very low	36.5	Very low	73 Å²	73	90 Å²	90	60%	0.603	48%	0.479	S	S	*	.	H	α-helix	trans	-68.2	-26	172.7	0	0	0	0	0	113.6	V805 S807	V805-A809 WeakPolarHBondContact O-CB 3.45Å; V805-A809 PolarHBondContact O-N 3.19Å; S807-A809 VanDerWaalsContact C-N 3.27Å; S807-A809 PolarHBondContact O-N 3Å
810	Q	36.7	Very low	36.1	Very low	162 Å²	162	90.1 Å²	90.1	76%	0.757	48%	0.479	S	S	*	.	H	α-helix	trans	-84.9	-26.6	174.5	-73	173.9	55.6	0	0	113.1	S806 S807 A808 Y812	S806-Q810 WeakPolarHBondContact O-CG 3.26Å; S806-Q810 PolarHBondContact O-N 2.61Å; S806-Q810 PolarHBondContact O-NE2 3.27Å; S807-Q810 PolarHBondContact O-N 3Å; A808-Q810 VanDerWaalsContact C-N 3.31Å; A808-Q810 PolarHBondContact O-N 3.07Å; Q810-Y812 VanDerWaalsContact C-N 3.29Å
811	L	36.8	Very low	35.7	Very low	108 Å²	108	92.9 Å²	92.9	57%	0.565	51%	0.506	S	S	*	.	S	Bend	trans	-84.7	3	175.5	-69.9	169.7	0	0	0	113.6	S807 A808 D813	S807-L811 WeakPolarHBondContact O-CG 3.46Å; S807-L811 PolarHBondContact O-N 3.39Å; A808-L811 PolarHBondContact O-N 2.92Å; L811-D813 VanDerWaalsContact C-N 3.32Å; L811-D813 PolarHBondContact O-N 3.49Å
812	Y	30.3	Very low	35.4	Very low	141 Å²	141	93.3 Å²	93.3	55%	0.553	53%	0.528	S	S	*	.			trans	-77.6	76.1	-177.6	-154.3	-81.3	0	0	0	112	A808 Q810 R814	A808-Y812 PolarHBondContact O-N 3.26Å; Q810-Y812 VanDerWaalsContact C-N 3.29Å; Y812-R814 PolarHBondContact O-N 2.8Å
813	D	33.5	Very low	35.3	Very low	63 Å²	63	91.5 Å²	91.5	34%	0.337	53%	0.525	S	S	.	.			trans	-71.3	119.7	170.7	-151.5	-36.8	0	0	0	109.6	R582 L811 D815 Y816	R582-D813 IonicContact CZ-OD2 3.38Å; R582-D813 IonicContact NH1-OD2 3.46Å; R582-D813 PolarHBondContact NH1-OD2 2.82Å; L811-D813 VanDerWaalsContact C-N 3.32Å; L811-D813 PolarHBondContact O-N 3.49Å; D813-D815 PolarHBondContact O-N 3.3Å; D813-Y816 PolarHBondContact O-N 2.9Å
814	R	36.1	Very low	35.1	Very low	214 Å²	214	89.7 Å²	89.7	81%	0.808	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.8	-164	-91.5	-175.9	168.6	-179.7	-3.6	114.4	Y812	Y812-R814 PolarHBondContact O-N 2.8Å
815	D	36.8	Very low	35.1	Very low	109 Å²	109	91.6 Å²	91.6	58%	0.583	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-6.6	-171.2	-60.8	-30.9	0	0	0	113.2	D813 N990	D813-D815 PolarHBondContact O-N 3.3Å; D815-N990 PolarHBondContact O-ND2 3.39Å
816	Y	33.7	Very low	35.2	Very low	127 Å²	127	92 Å²	92	50%	0.498	55%	0.546	S	S	.	.			trans	-135.5	81.9	-178.6	-64.8	-87.5	0	0	0	111.5	D813 C818 Q987	D813-Y816 PolarHBondContact O-N 2.9Å; Y816-C818 PolarHBondContact O-N 3.41Å; Y816-Q987 HydrophobicContact CE1-CG 4.33Å
817	G	27.6	Very low	35.5	Very low	72 Å²	72	95.3 Å²	95.3	74%	0.742	56%	0.556	S	S	*	*			trans	-72.5	42.3	-173.9	0	0	0	0	0	116.6
818	C	28.2	Very low	35.6	Very low	68 Å²	68	93.9 Å²	93.9	46%	0.459	55%	0.545	S	S	.	.			trans	-142.2	122.9	-175.9	-58.3	0	0	0	0	111.8	Y816 S820 Q986	Y816-C818 PolarHBondContact O-N 3.41Å; C818-S820 PolarHBondContact O-N 3.32Å; C818-Q986 HydrophobicContact CB-CG 3.86Å; C818-Q986 PolarHBondContact SG-NE2 3.31Å
819	F	31.2	Very low	35.9	Very low	137 Å²	137	98.3 Å²	98.3	60%	0.601	56%	0.559	S	S	*	*			trans	-71.2	120.9	172.8	-74.7	-90	0	0	0	110.9	A808	A808-F819 HydrophobicContact CB-CE1 4.4Å; A808-F819 HydrophobicContact CB-CZ 4.28Å
820	S	33.7	Very low	36.2	Very low	64 Å²	64	97.6 Å²	97.6	45%	0.448	54%	0.543	S	S	.	.			trans	-84.2	131.2	165.3	59.7	0	0	0	0	110.2	C818 G822 N823	C818-S820 PolarHBondContact O-N 3.32Å; S820-G822 PolarHBondContact O-N 3.34Å; S820-G822 VanDerWaalsContact O-N 3.1Å; S820-N823 PolarHBondContact O-N 2.88Å; S820-N823 VanDerWaalsContact O-N 3.15Å; S820-N823 PolarHBondContact OG-ND2 3.31Å
821	A	32.9	Very low	36	Very low	96 Å²	96	90.8 Å²	90.8	79%	0.793	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-62.4	-20.7	-176.6	0	0	0	0	0	114	N823	A821-N823 VanDerWaalsContact C-N 3.29Å; A821-N823 PolarHBondContact O-N 3.47Å
822	G	36	Very low	36	Very low	73 Å²	73	92.3 Å²	92.3	75%	0.753	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-73.1	-12.9	177.2	0	0	0	0	0	115.3	S820	S820-G822 PolarHBondContact O-N 3.34Å; S820-G822 VanDerWaalsContact O-N 3.1Å
823	N	39.4	Very low	36.2	Very low	113 Å²	113	90.7 Å²	90.7	60%	0.604	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-105.2	11.6	-176.2	-70	-2.2	0	0	0	113.5	S820 A821	S820-N823 PolarHBondContact O-N 2.88Å; S820-N823 VanDerWaalsContact O-N 3.15Å; S820-N823 PolarHBondContact OG-ND2 3.31Å; A821-N823 VanDerWaalsContact C-N 3.29Å; A821-N823 PolarHBondContact O-N 3.47Å
824	V	39.3	Very low	35.9	Very low	45 Å²	45	88.1 Å²	88.1	27%	0.273	50%	0.495	S	S	.	.			trans	-81.4	119.7	178	-177.9	0	0	0	0	109.5	C828 Y832	V824-C828 HydrophobicContact CG1-CB 3.92Å; V824-Y832 HydrophobicContact CG1-CD2 4.19Å; V824-Y832 HydrophobicContact CG1-CE2 3.8Å; V824-Y832 HydrophobicContact CG2-CE2 3.88Å
825	A	39.3	Very low	35.6	Very low	51 Å²	51	81.3 Å²	81.3	42%	0.421	48%	0.478	S	S	.	.			trans	-57.1	139.8	172.4	0	0	0	0	0	110.7	E827 C828	A825-E827 PolarHBondContact O-N 3.3Å; A825-E827 VanDerWaalsContact O-N 3.09Å; A825-C828 PolarHBondContact O-N 3.15Å
826	A	40.5	Very low	35.1	Very low	90 Å²	90	81 Å²	81	74%	0.744	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-53	-37.5	-175.3	0	0	0	0	0	112.8	C828 K829	A826-C828 PolarHBondContact O-N 3.48Å; A826-C828 VanDerWaalsContact O-N 3.14Å; A826-K829 VanDerWaalsContact O-CB 3.28Å; A826-K829 WeakPolarHBondContact O-CB 3.49Å; A826-K829 PolarHBondContact O-N 2.91Å; A826-K829 VanDerWaalsContact O-N 3.13Å
827	E	44.4	Very low	34.9	Very low	121 Å²	121	80 Å²	80	57%	0.565	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-50.7	-34.1	172.9	-64.4	172.2	-138.4	0	0	113.9	A825 H830	A825-E827 PolarHBondContact O-N 3.3Å; A825-E827 VanDerWaalsContact O-N 3.09Å; E827-H830 PolarHBondContact O-CE1 3.12Å; E827-H830 PolarHBondContact O-ND1 2.94Å
828	C	39	Very low	34.8	Very low	13 Å²	13	84.8 Å²	84.8	9%	0.088	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-96.8	-2.9	-175.2	-56.9	0	0	0	0	113.7	C804 V824 A825 A826 H830 L831	C804-C828 HydrophobicContact CB-CB 4.14Å; C804-C828 WeakPolarHBondContact CB-SG 3.44Å; C804-C828 VanDerWaalsContact SG-CA 3.53Å; C804-C828 WeakPolarHBondContact SG-CB 3.38Å; C804-C828 CovalentContact SG-SG 2.04Å; C804-C828 PolarHBondContact SG-SG 3.06Å; V824-C828 HydrophobicContact CG1-CB 3.92Å; A825-C828 PolarHBondContact O-N 3.15Å; A826-C828 PolarHBondContact O-N 3.48Å; A826-C828 VanDerWaalsContact O-N 3.14Å; C828-H830 VanDerWaalsContact C-N 3.25Å; C828-H830 PolarHBondContact O-N 3.26Å; C828-L831 HydrophobicContact CB-CD1 4.25Å; C828-L831 WeakPolarHBondContact O-CB 3.3Å; C828-L831 PolarHBondContact O-N 3.39Å; C828-L831 VanDerWaalsContact O-N 3.11Å
829	K	40.9	Very low	34.6	Very low	125 Å²	125	89.3 Å²	89.3	54%	0.543	49%	0.49	S	S	.	.	H	α-helix	trans	-57.4	-39.4	-178.7	-159	-171	-179.6	-167.3	0	112.1	A826 L831 Y832 E833	A826-K829 VanDerWaalsContact O-CB 3.28Å; A826-K829 WeakPolarHBondContact O-CB 3.49Å; A826-K829 PolarHBondContact O-N 2.91Å; A826-K829 VanDerWaalsContact O-N 3.13Å; K829-L831 PolarHBondContact O-N 2.95Å; K829-Y832 PolarHBondContact O-N 3.42Å; K829-E833 WeakPolarHBondContact CD-OE1 3.43Å; K829-E833 WeakPolarHBondContact CE-OE1 3.47Å; K829-E833 WeakPolarHBondContact CG-OE1 3.36Å; K829-E833 IonicContact NZ-OE1 3.31Å; K829-E833 PolarHBondContact O-N 3.41Å
830	H	43.2	Very low	34.3	Very low	57 Å²	57	87.5 Å²	87.5	26%	0.264	49%	0.489	S	S	.	.	H	α-helix	trans	-57.4	-22.1	177.8	78.4	-87.6	0	0	0	114.9	E827 C828 T834	E827-H830 PolarHBondContact O-CE1 3.12Å; E827-H830 PolarHBondContact O-ND1 2.94Å; C828-H830 VanDerWaalsContact C-N 3.25Å; C828-H830 PolarHBondContact O-N 3.26Å; H830-T834 PolarHBondContact O-N 3.07Å; H830-T834 PolarHBondContact O-OG1 3.19Å
831	L	33.2	Very low	33.8	Very low	19 Å²	19	91 Å²	91	10%	0.099	51%	0.508	C	S	.	.	H	α-helix	trans	-72.1	-35.4	176.8	-64.6	169.9	0	0	0	111.6	C804 C828 K829 T834 Y837	C804-L831 HydrophobicContact CB-CD1 3.81Å; C828-L831 HydrophobicContact CB-CD1 4.25Å; C828-L831 WeakPolarHBondContact O-CB 3.3Å; C828-L831 PolarHBondContact O-N 3.39Å; C828-L831 VanDerWaalsContact O-N 3.11Å; K829-L831 PolarHBondContact O-N 2.95Å; L831-T834 PolarHBondContact O-OG1 2.88Å; L831-T834 VanDerWaalsContact O-OG1 3.07Å; L831-Y837 HydrophobicContact CD2-CD2 4.25Å; L831-Y837 HydrophobicContact CD2-CE2 4.02Å; L831-Y837 VanDerWaalsContact O-CB 3.22Å; L831-Y837 WeakPolarHBondContact O-CB 3.22Å
832	Y	36	Very low	33.4	Very low	141 Å²	141	92.6 Å²	92.6	55%	0.553	50%	0.502	S	S	*	.	H	α-helix	trans	-80.1	-21.2	178.5	-66.5	-86.2	0	0	0	112.9	V824 K829	V824-Y832 HydrophobicContact CG1-CD2 4.19Å; V824-Y832 HydrophobicContact CG1-CE2 3.8Å; V824-Y832 HydrophobicContact CG2-CE2 3.88Å; K829-Y832 PolarHBondContact O-N 3.42Å
833	E	35.6	Very low	32.9	Very low	106 Å²	106	93.9 Å²	93.9	50%	0.495	49%	0.492	S	S	.	.	H	α-helix	trans	-90.3	-11.2	179.5	-67.4	162.8	172.3	0	0	112.5	K829	K829-E833 WeakPolarHBondContact CD-OE1 3.43Å; K829-E833 WeakPolarHBondContact CE-OE1 3.47Å; K829-E833 WeakPolarHBondContact CG-OE1 3.36Å; K829-E833 IonicContact NZ-OE1 3.31Å; K829-E833 PolarHBondContact O-N 3.41Å
834	T	27.9	Very low	32.4	Very low	9 Å²	9	93 Å²	93	6%	0.055	49%	0.492	C	S	.	.	S	Bend	trans	-86.8	129.9	170.1	45.2	0	0	0	0	113	H830 L831 C836 Y837	H830-T834 PolarHBondContact O-N 3.07Å; H830-T834 PolarHBondContact O-OG1 3.19Å; L831-T834 PolarHBondContact O-OG1 2.88Å; L831-T834 VanDerWaalsContact O-OG1 3.07Å; T834-C836 PolarHBondContact O-N 3.28Å; T834-Y837 PolarHBondContact O-N 3.46Å
835	P	28.1	Very low	32.1	Very low	71 Å²	71	94.9 Å²	94.9	46%	0.461	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-65	-26.8	178.6	26.1	-30.7	0	0	0	111.9	Y837 R838 L1061	P835-Y837 PolarHBondContact O-N 3.18Å; P835-R838 PolarHBondContact O-N 3.14Å; P835-R838 VanDerWaalsContact O-N 3.17Å; P835-L1061 HydrophobicContact CB-CD1 4.36Å; P835-L1061 HydrophobicContact CG-CD2 4.18Å
836	C	27.5	Very low	31.6	Very low	102 Å²	102	98.3 Å²	98.3	69%	0.689	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-51.9	-24.5	174.9	-42.8	0	0	0	0	114.4	T834	T834-C836 PolarHBondContact O-N 3.28Å
837	Y	28.2	Very low	30.9	Very low	108 Å²	108	98.3 Å²	98.3	42%	0.424	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-96.8	-7	-174.5	-128.4	-87.6	0	0	0	114.2	H801 L831 T834 P835 Q839	H801-Y837 AromaticContact NE2-CE2 3.9Å; H801-Y837 AromaticContact NE2-CZ 3.85Å; H801-Y837 PolarHBondContact NE2-OH 3.33Å; L831-Y837 HydrophobicContact CD2-CD2 4.25Å; L831-Y837 HydrophobicContact CD2-CE2 4.02Å; L831-Y837 VanDerWaalsContact O-CB 3.22Å; L831-Y837 WeakPolarHBondContact O-CB 3.22Å; T834-Y837 PolarHBondContact O-N 3.46Å; P835-Y837 PolarHBondContact O-N 3.18Å; Y837-Q839 VanDerWaalsContact C-N 3.29Å; Y837-Q839 PolarHBondContact O-N 3.5Å
838	R	25.5	Very low	30.1	Very low	171 Å²	171	100.6 Å²	100.6	65%	0.645	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	2	-172.9	-105.1	-176.6	-175	172.4	5.7	115.9	P835	P835-R838 PolarHBondContact O-N 3.14Å; P835-R838 VanDerWaalsContact O-N 3.17Å
839	Q	25.5	Very low	29.5	Very low	164 Å²	164	106 Å²	106	77%	0.766	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	-1.9	-174.2	-126.8	170.9	-0	0	0	114.9	Y837 V841	Y837-Q839 VanDerWaalsContact C-N 3.29Å; Y837-Q839 PolarHBondContact O-N 3.5Å; Q839-V841 PolarHBondContact O-N 2.92Å
840	V	23.5	Very low	28.7	Very low	98 Å²	98	103.3 Å²	103.3	59%	0.594	57%	0.573	S	S	*	*			trans	-100	81.8	178.6	-169.6	0	0	0	0	110.7	I842	V840-I842 HydrophobicContact CG1-CG1 3.86Å; V840-I842 PolarHBondContact O-N 3.12Å; V840-I842 VanDerWaalsContact O-N 3.15Å
841	V	23.7	Very low	27.7	Very low	139 Å²	139	107.6 Å²	107.6	84%	0.842	60%	0.603	S	S	*	*			trans	-74.2	99	164.7	179.2	0	0	0	0	108	Q839 D843	Q839-V841 PolarHBondContact O-N 2.92Å; V841-D843 PolarHBondContact O-N 3.1Å; V841-D843 VanDerWaalsContact O-N 3.15Å
842	I	25.5	Very low	27.4	Very low	128 Å²	128	112.7 Å²	112.7	66%	0.656	64%	0.635	S	S	*	*			trans	-73.6	103.6	172.3	-56.6	-179	0	0	0	108.2	V840 P844	V840-I842 HydrophobicContact CG1-CG1 3.86Å; V840-I842 PolarHBondContact O-N 3.12Å; V840-I842 VanDerWaalsContact O-N 3.15Å; I842-P844 VanDerWaalsContact O-CD 3.28Å; I842-P844 WeakPolarHBondContact O-CD 3.4Å
843	D	24.2	Very low	27	Very low	101 Å²	101	110.8 Å²	110.8	54%	0.54	64%	0.642	S	S	.	*			trans	-62.7	116.7	164.2	-176.2	-19.6	0	0	0	109	V841 A845	V841-D843 PolarHBondContact O-N 3.1Å; V841-D843 VanDerWaalsContact O-N 3.15Å; D843-A845 PolarHBondContact O-N 3.37Å; D843-A845 VanDerWaalsContact OD1-CB 3.27Å; D843-A845 WeakPolarHBondContact OD1-CB 3.46Å; D843-A845 PolarHBondContact OD1-N 3.05Å
844	P	30.2	Very low	26.6	Very low	95 Å²	95	112.1 Å²	112.1	62%	0.617	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-62.1	-14.9	-177.4	-23.3	35.2	0	0	0	114.5	I842 N846	I842-P844 VanDerWaalsContact O-CD 3.28Å; I842-P844 WeakPolarHBondContact O-CD 3.4Å; P844-N846 VanDerWaalsContact C-N 3.31Å; P844-N846 PolarHBondContact O-N 3.26Å
845	A	31.7	Very low	26.5	Very low	84 Å²	84	115 Å²	115	69%	0.694	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-71.5	-17.3	-175.4	0	0	0	0	0	115	D843	D843-A845 PolarHBondContact O-N 3.37Å; D843-A845 VanDerWaalsContact OD1-CB 3.27Å; D843-A845 WeakPolarHBondContact OD1-CB 3.46Å; D843-A845 PolarHBondContact OD1-N 3.05Å
846	N	29	Very low	26.4	Very low	123 Å²	123	117.3 Å²	117.3	66%	0.658	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-119.4	19.8	-163.5	-103.6	-29.2	0	0	0	116.1	P844 N848	P844-N846 VanDerWaalsContact C-N 3.31Å; P844-N846 PolarHBondContact O-N 3.26Å; N846-N848 PolarHBondContact O-N 2.8Å
847	A	26.8	Very low	26.3	Very low	90 Å²	90	118.8 Å²	118.8	74%	0.744	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	38.5	-171.3	0	0	0	0	0	116.6
848	N	26.1	Very low	26.3	Very low	168 Å²	168	117.3 Å²	117.3	90%	0.898	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.4	7.5	-176.3	-102.9	-24.6	0	0	0	115.2	N846	N846-N848 PolarHBondContact O-N 2.8Å
849	V	26.5	Very low	26.3	Very low	127 Å²	127	113.1 Å²	113.1	77%	0.77	70%	0.701	S	S	*	*			trans	-84.1	123.9	175.8	-176.6	0	0	0	0	110.1
850	A	25.4	Very low	26.4	Very low	69 Å²	69	109.6 Å²	109.6	57%	0.57	69%	0.69	S	S	*	*			trans	-73.3	144.9	177.2	0	0	0	0	0	111.9	T852	A850-T852 HydrophobicContact CB-CG2 3.95Å; A850-T852 PolarHBondContact O-N 2.73Å; A850-T852 VanDerWaalsContact O-N 3.15Å
851	V	22.3	Very low	26.6	Very low	146 Å²	146	113 Å²	113	89%	0.885	70%	0.7	S	S	*	*			trans	-75.3	101	174	179.7	0	0	0	0	109
852	T	25.6	Very low	26.6	Very low	126 Å²	126	115.1 Å²	115.1	77%	0.773	70%	0.697	S	S	*	*			trans	-136.6	41.3	-172.4	57.7	0	0	0	0	114.9	A850	A850-T852 HydrophobicContact CB-CG2 3.95Å; A850-T852 PolarHBondContact O-N 2.73Å; A850-T852 VanDerWaalsContact O-N 3.15Å
853	S	28.6	Very low	26.5	Very low	102 Å²	102	117.5 Å²	117.5	71%	0.713	71%	0.708	S	S	*	*			trans	-157.6	160.3	156.7	57.2	0	0	0	0	110.7
854	V	26	Very low	26.4	Very low	133 Å²	133	120.2 Å²	120.2	81%	0.806	72%	0.718	S	S	*	*			trans	-134.9	120.8	-174.3	179.3	0	0	0	0	109.5
855	T	27.2	Very low	26.2	Very low	69 Å²	69	122.8 Å²	122.8	42%	0.423	73%	0.725	S	S	.	*			trans	-141.4	-30.3	175.1	40.6	0	0	0	0	115.4	V857	T855-V857 VanDerWaalsContact C-N 3.28Å; T855-V857 PolarHBondContact O-N 3.22Å; T855-V857 VanDerWaalsContact O-N 3.08Å
856	D	24.9	Very low	25.7	Very low	120 Å²	120	127.2 Å²	127.2	64%	0.642	73%	0.725	S	S	*	*	S	Bend	trans	-87.7	31.3	-167.7	-55	-32.7	0	0	0	115.4
857	V	26.5	Very low	25.4	Very low	134 Å²	134	126.2 Å²	126.2	81%	0.812	73%	0.734	S	S	*	*			trans	-136.1	77	175.7	-170.8	0	0	0	0	110.1	T855	T855-V857 VanDerWaalsContact C-N 3.28Å; T855-V857 PolarHBondContact O-N 3.22Å; T855-V857 VanDerWaalsContact O-N 3.08Å
858	A	27.4	Very low	25.4	Very low	76 Å²	76	126.6 Å²	126.6	63%	0.628	74%	0.737	S	S	*	*			trans	-136.8	17.2	-179.2	0	0	0	0	0	114.4
859	A	26.5	Very low	25.3	Very low	83 Å²	83	122.9 Å²	122.9	69%	0.686	73%	0.73	S	S	*	*	S	Bend	trans	-118.7	18	-176.9	0	0	0	0	0	114.5
860	V	26.7	Very low	25.3	Very low	90 Å²	90	123.7 Å²	123.7	55%	0.545	74%	0.735	S	S	.	*	S	Bend	trans	-138.4	101.4	164.6	-175.8	0	0	0	0	108	T787	T787-V860 HydrophobicContact CG2-CG1 4Å
861	H	27.5	Very low	25.3	Very low	171 Å²	171	127.8 Å²	127.8	79%	0.792	75%	0.747	S	S	*	*			trans	-76.7	151.2	178.4	-97.8	76.9	0	0	0	112.1
862	K	23.9	Very low	25.6	Very low	182 Å²	182	124.4 Å²	124.4	79%	0.791	74%	0.742	S	S	*	*			trans	63.3	78.9	176.3	-61.2	175.8	-178.7	167.1	0	116.6
863	M	23.4	Very low	25.6	Very low	178 Å²	178	127 Å²	127	88%	0.877	75%	0.745	S	S	*	*			trans	-138.5	115.7	130.3	-113.4	-175.3	177.1	0	0	109.6
864	E	22.8	Very low	25.7	Very low	159 Å²	159	128.4 Å²	128.4	74%	0.743	75%	0.75	S	S	*	*			trans	-77.1	129.4	168.5	-63.9	-175.6	163.2	0	0	108.5	Y866	E864-Y866 HydrophobicContact CB-CE2 4.42Å
865	L	24.5	Very low	25.8	Very low	149 Å²	149	129.7 Å²	129.7	78%	0.78	75%	0.752	S	S	*	*			trans	-120.8	111.2	165.9	-92.4	168.3	0	0	0	108.7
866	Y	22.9	Very low	25.9	Very low	177 Å²	177	129.8 Å²	129.8	69%	0.694	77%	0.766	S	S	*	*			trans	-70.7	131.8	-177.6	-87.4	-112.4	0	0	0	111.1	E864 A868	E864-Y866 HydrophobicContact CB-CE2 4.42Å; Y866-A868 PolarHBondContact O-N 3.11Å; Y866-A868 VanDerWaalsContact O-N 3.15Å
867	A	22.9	Very low	26	Very low	102 Å²	102	132.7 Å²	132.7	84%	0.843	78%	0.776	S	S	*	*			trans	-76.4	97.5	166.9	0	0	0	0	0	109.4	A869	A867-A869 PolarHBondContact O-N 2.65Å; A867-A869 VanDerWaalsContact O-N 3.08Å
868	A	25.3	Very low	26.1	Very low	97 Å²	97	132.3 Å²	132.3	80%	0.802	77%	0.774	S	S	*	*			trans	-68	103.6	174	0	0	0	0	0	110.5	Y866	Y866-A868 PolarHBondContact O-N 3.11Å; Y866-A868 VanDerWaalsContact O-N 3.15Å
869	A	23.8	Very low	25.8	Very low	91 Å²	91	133.9 Å²	133.9	75%	0.752	78%	0.779	S	S	*	*			trans	-69.5	143.5	169.8	0	0	0	0	0	110.5	A867	A867-A869 PolarHBondContact O-N 2.65Å; A867-A869 VanDerWaalsContact O-N 3.08Å
870	V	27.8	Very low	25.8	Very low	144 Å²	144	138 Å²	138	87%	0.873	78%	0.784	S	S	*	*			trans	-108.9	117.1	166.5	178.6	0	0	0	0	107.3
871	D	24.9	Very low	25.6	Very low	155 Å²	155	138.6 Å²	138.6	83%	0.829	79%	0.792	S	S	*	*			trans	-63.6	137.1	-174.1	-77.5	-57.9	0	0	0	113.2
872	G	28.6	Very low	25.3	Very low	75 Å²	75	135.3 Å²	135.3	77%	0.773	79%	0.789	S	S	*	*			trans	-150.8	76.6	177.2	0	0	0	0	0	110.4	T874	G872-T874 PolarHBondContact O-N 2.65Å
873	Q	25.9	Very low	25.3	Very low	181 Å²	181	134 Å²	134	85%	0.846	79%	0.786	S	S	*	*			trans	-63.3	129.4	-173	-57.2	173.2	-66.9	0	0	112.8
874	T	29.8	Very low	25.2	Very low	131 Å²	131	133.3 Å²	133.3	80%	0.804	78%	0.778	S	S	*	*			trans	-163.9	106.8	132.2	22	0	0	0	0	110.9	G872	G872-T874 PolarHBondContact O-N 2.65Å
875	D	29.1	Very low	25.2	Very low	159 Å²	159	132.6 Å²	132.6	85%	0.85	78%	0.775	S	S	*	*			trans	20	136.8	140.8	-45.1	-24.9	0	0	0	121.3
876	G	28.3	Very low	25.1	Very low	71 Å²	71	134 Å²	134	73%	0.732	78%	0.775	S	S	*	*			trans	120.8	82.9	132.4	0	0	0	0	0	119.9
877	E	28	Very low	25.2	Very low	181 Å²	181	134.1 Å²	134.1	85%	0.846	79%	0.786	S	S	*	*			trans	54.9	117.5	138.9	-58	-168.2	143.9	0	0	122.6
878	T	27.6	Very low	25.3	Very low	126 Å²	126	136.6 Å²	136.6	77%	0.773	78%	0.78	S	S	*	*			trans	76.9	97.1	137.1	58.1	0	0	0	0	122.7
879	C	22.4	Very low	25.5	Very low	109 Å²	109	136.1 Å²	136.1	74%	0.736	77%	0.769	S	S	*	*				75	136.2	117.9	-92.3	0	0	0	0	124.5
880	H	25.7	Very low	25.6	Very low	170 Å²	170	139.4 Å²	139.4	79%	0.787	77%	0.768	S	S	*	*			trans	76.3	118.8	151.9	-66.9	-58	0	0	0	122.1
881	S	22.5	Very low	25.4	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	76%	0.76	S	S	*	*			trans	63.1	100.9	143.3	59.9	0	0	0	0	120.6
882	S	21.7	Very low	25.3	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	76%	0.756	S	S	*	*			trans	75	156	134.5	74	0	0	0	0	120.6
883	Q	22.7	Very low	24.9	Very low	155 Å²	155	140.4 Å²	140.4	72%	0.724	76%	0.76	S	S	*	*			trans	81.9	150.1	167.4	-49.5	-176.8	-12.8	0	0	118.5
884	F	22.5	Very low	24.7	Very low	163 Å²	163	137.7 Å²	137.7	72%	0.715	76%	0.755	S	S	*	*			trans	62.6	122.1	172.4	-53.1	-72.1	0	0	0	117.2
885	Q	22.1	Very low	24.3	Very low	144 Å²	144	136.6 Å²	136.6	67%	0.673	75%	0.748	S	S	*	*			cis	93.5	120.8	38.2	-77.8	-167.4	-28.4	0	0	114.9
886	F	22.1	Very low	24.1	Very low	179 Å²	179	134.4 Å²	134.4	79%	0.785	74%	0.743	S	S	*	*			trans	46.4	130.5	148.6	-62	-65.2	0	0	0	120.9
887	L	25.6	Very low	23.8	Very low	179 Å²	179	137 Å²	137	94%	0.937	74%	0.744	S	S	*	*				-159.2	151.8	104.6	-101.5	156.2	0	0	0	112.5
888	H	24.5	Very low	23.6	Very low	153 Å²	153	133.2 Å²	133.2	71%	0.708	74%	0.735	S	S	*	*			trans	-102.2	-175.2	-175.3	-150.8	-5.5	0	0	0	109
889	P	29.5	Very low	23.6	Very low	88 Å²	88	135.6 Å²	135.6	57%	0.571	74%	0.737	S	S	*	*				-143	-168.4	54.3	23.7	4.2	0	0	0	115
890	H	25.6	Very low	23.7	Very low	160 Å²	160	135.6 Å²	135.6	74%	0.741	74%	0.738	S	S	*	*			trans	78.7	121.2	165.3	-51.9	-58.3	0	0	0	117.3
891	V	24.6	Very low	23.8	Very low	116 Å²	116	134.1 Å²	134.1	70%	0.703	75%	0.746	S	S	*	*			cis	-139.9	125.3	-8.4	171.1	0	0	0	0	111.1
892	N	22.6	Very low	23.9	Very low	138 Å²	138	134.4 Å²	134.4	74%	0.738	75%	0.754	S	S	*	*			trans	28.8	117.2	150.4	-50.2	-9	0	0	0	121.5
893	V	21.1	Very low	24.2	Very low	141 Å²	141	133.1 Å²	133.1	86%	0.855	76%	0.757	S	S	*	*			trans	-111.7	134.6	136	175.1	0	0	0	0	107.3
894	V	21.6	Very low	24.4	Very low	123 Å²	123	135.4 Å²	135.4	75%	0.745	77%	0.768	S	S	*	*			trans	-103.8	129.1	-178.8	177.8	0	0	0	0	110
895	V	20.1	Very low	24.6	Very low	108 Å²	108	136.9 Å²	136.9	66%	0.655	78%	0.777	S	S	*	*			trans	-126.9	118	170.9	-178	0	0	0	0	109	V897	V895-V897 HydrophobicContact CG1-CG2 4.1Å
896	P	24.8	Very low	24.7	Very low	114 Å²	114	135.1 Å²	135.1	74%	0.74	78%	0.781	S	S	*	*			trans	-87.3	123.7	169.6	32.4	-29.2	0	0	0	110.8
897	V	21.9	Very low	24.9	Very low	126 Å²	126	134.6 Å²	134.6	76%	0.764	79%	0.785	S	S	*	*			trans	-127.2	125.7	165.2	-175.3	0	0	0	0	108.4	V895	V895-V897 HydrophobicContact CG1-CG2 4.1Å
898	P	25.5	Very low	24.7	Very low	101 Å²	101	131.3 Å²	131.3	66%	0.656	77%	0.774	S	S	*	*			trans	-131.1	113.4	160.5	19.5	2.5	0	0	0	113.7
899	H	27.5	Very low	24.7	Very low	175 Å²	175	129.8 Å²	129.8	81%	0.81	78%	0.78	S	S	*	*			trans	71.2	116	136.6	-51.9	-48.1	0	0	0	121.8
900	S	24.3	Very low	24.4	Very low	109 Å²	109	132.6 Å²	132.6	76%	0.762	79%	0.79	S	S	*	*			trans	-44.9	146.8	153.9	54.3	0	0	0	0	115.9
901	C	26.4	Very low	24.3	Very low	140 Å²	140	134.4 Å²	134.4	95%	0.946	80%	0.796	S	S	*	*			trans	-124.6	142.6	143.5	-97.2	0	0	0	0	108.8
902	A	25.4	Very low	24.2	Very low	107 Å²	107	135.1 Å²	135.1	88%	0.884	80%	0.801	S	S	*	*			trans	-106.8	148.8	-171.4	0	0	0	0	0	112.9
903	G	27.1	Very low	24.2	Very low	77 Å²	77	135 Å²	135	79%	0.794	80%	0.804	S	S	*	*			trans	111.1	97.6	153.3	0	0	0	0	0	116.8
904	Q	28.8	Very low	24.3	Very low	203 Å²	203	132.8 Å²	132.8	95%	0.949	80%	0.795	S	S	*	*				-153.5	153	120.4	-109.9	170.3	16.5	0	0	110.6
905	Q	24.7	Very low	24.3	Very low	194 Å²	194	136.6 Å²	136.6	91%	0.907	80%	0.796	S	S	*	*			trans	-105.7	134.4	-176.5	-62.1	169.1	-35.7	0	0	110.1
906	S	26.1	Very low	24.6	Very low	106 Å²	106	139.8 Å²	139.8	74%	0.741	80%	0.804	S	S	*	*			trans	-167.6	110.1	144.1	55.1	0	0	0	0	113.7
907	L	24.6	Very low	24.7	Very low	168 Å²	168	143 Å²	143	88%	0.88	81%	0.809	S	S	*	*			trans	61.4	129.2	142.9	-61.8	166	0	0	0	120.3
908	P	22.5	Very low	24.8	Very low	110 Å²	110	144.8 Å²	144.8	71%	0.714	82%	0.815	S	S	*	*			trans	-88	149.9	174.3	36.1	-33.9	0	0	0	112.8
909	C	24.5	Very low	24.8	Very low	121 Å²	121	145 Å²	145	82%	0.818	81%	0.814	S	S	*	*			trans	-117.5	116.1	164.2	-73.2	0	0	0	0	109
910	N	22.3	Very low	24.6	Very low	147 Å²	147	142.2 Å²	142.2	79%	0.786	81%	0.812	S	S	*	*			trans	-71.9	133.3	179.5	-58.4	-32.1	0	0	0	110.6
911	F	24.2	Very low	24.7	Very low	198 Å²	198	144.3 Å²	144.3	87%	0.868	81%	0.808	S	S	*	*			trans	-108.8	126.4	156.2	-96.9	-86.7	0	0	0	109.4
912	V	22.1	Very low	24.6	Very low	132 Å²	132	141.6 Å²	141.6	80%	0.8	79%	0.791	S	S	*	*			trans	-87.8	129.9	174	177.1	0	0	0	0	107.8
913	V	23.8	Very low	24.7	Very low	134 Å²	134	141.6 Å²	141.6	81%	0.812	78%	0.782	S	S	*	*			trans	-110.4	106.8	168.9	-179	0	0	0	0	107.5
914	S	23.3	Very low	24.6	Very low	96 Å²	96	142.2 Å²	142.2	67%	0.671	78%	0.78	S	S	*	*			trans	-74.3	137.3	164.8	45.7	0	0	0	0	109.3
915	R	21.1	Very low	24.5	Very low	203 Å²	203	136.1 Å²	136.1	77%	0.766	76%	0.756	S	S	*	*			trans	-78.9	113.3	165.9	-76.4	175.1	163.3	-172.1	-7.9	108.1
916	E	25.6	Very low	24.5	Very low	174 Å²	174	129.9 Å²	129.9	81%	0.813	73%	0.734	S	S	*	*			trans	-162.8	138.2	158.9	-109.7	142	-142.9	0	0	110.5
917	E	27.5	Very low	24.6	Very low	181 Å²	181	128.3 Å²	128.3	85%	0.846	72%	0.72	S	S	*	*			trans	63.6	134.1	165.3	-60.4	-175.5	-174.8	0	0	121.7
918	N	24.2	Very low	24.8	Very low	165 Å²	165	122 Å²	122	88%	0.882	69%	0.691	S	S	*	*			trans	-89.2	111.1	178.1	-75.1	-51.5	0	0	0	111.4
919	V	25.4	Very low	25.3	Very low	106 Å²	106	121.8 Å²	121.8	64%	0.642	68%	0.682	S	S	*	*			trans	-117.6	96.5	169.8	-173.6	0	0	0	0	110.6	F921	V919-F921 HydrophobicContact CB-CE2 4.45Å; V919-F921 HydrophobicContact CG1-CD2 4.04Å; V919-F921 HydrophobicContact CG1-CE2 3.62Å; V919-F921 HydrophobicContact CG1-CZ 4.37Å; V919-F921 PolarHBondContact O-N 3.33Å; V919-F921 VanDerWaalsContact O-N 3.16Å
920	C	23.9	Very low	25.8	Very low	115 Å²	115	119.1 Å²	119.1	78%	0.777	66%	0.662	S	S	*	*			trans	-72.2	104.2	178	-68.1	0	0	0	0	112.1
921	F	25.6	Very low	26.6	Very low	153 Å²	153	114.6 Å²	114.6	67%	0.671	64%	0.642	S	S	*	*			trans	-87.2	152.6	161.6	-75.5	-91	0	0	0	110.9	V919 Y970	V919-F921 HydrophobicContact CB-CE2 4.45Å; V919-F921 HydrophobicContact CG1-CD2 4.04Å; V919-F921 HydrophobicContact CG1-CE2 3.62Å; V919-F921 HydrophobicContact CG1-CZ 4.37Å; V919-F921 PolarHBondContact O-N 3.33Å; V919-F921 VanDerWaalsContact O-N 3.16Å; F921-Y970 HydrophobicContact CE1-CE1 4.44Å; F921-Y970 HydrophobicContact CZ-CE1 4.43Å
922	S	24.4	Very low	27.4	Very low	84 Å²	84	105.7 Å²	105.7	59%	0.587	60%	0.604	S	S	*	*			trans	-74.2	136.7	171.6	46.4	0	0	0	0	111	A924	S922-A924 PolarHBondContact O-N 3.33Å
923	P	26.3	Very low	28.6	Very low	106 Å²	106	102.1 Å²	102.1	69%	0.688	58%	0.582	S	S	*	*	S	Bend	trans	-79.8	85.6	-173.7	31.2	-35.3	0	0	0	111.7
924	A	26.5	Very low	29.7	Very low	91 Å²	91	99.1 Å²	99.1	75%	0.752	57%	0.571	S	S	*	*	S	Bend	trans	-148.9	0.4	176.1	0	0	0	0	0	116.1	S922	S922-A924 PolarHBondContact O-N 3.33Å
925	V	25.9	Very low	31	Very low	75 Å²	75	98.7 Å²	98.7	46%	0.455	57%	0.568	S	S	.	*			trans	-141.9	126.8	177.7	-172.6	0	0	0	0	112.1	V927 H983	V925-V927 VanDerWaalsContact C-N 3.34Å; V925-V927 HydrophobicContact CB-CG2 4.03Å; V925-V927 HydrophobicContact CG1-CG2 3.49Å; V925-V927 VanDerWaalsContact CG1-CG2 3.49Å; V925-V927 PolarHBondContact O-N 3.15Å; V925-V927 VanDerWaalsContact O-N 3.1Å; V925-H983 WeakPolarHBondContact CG1-CE1 3.49Å
926	S	25.6	Very low	32.2	Very low	63 Å²	63	93.8 Å²	93.8	44%	0.441	55%	0.554	S	S	.	*			trans	-79.8	79.1	166.4	-60.7	0	0	0	0	110.8	A928	S926-A928 PolarHBondContact O-N 3.41Å
927	V	27.3	Very low	33.1	Very low	73 Å²	73	85.9 Å²	85.9	44%	0.442	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	115.8	174.4	-177.8	0	0	0	0	109.9	V925 M929 P981	V925-V927 VanDerWaalsContact C-N 3.34Å; V925-V927 HydrophobicContact CB-CG2 4.03Å; V925-V927 HydrophobicContact CG1-CG2 3.49Å; V925-V927 VanDerWaalsContact CG1-CG2 3.49Å; V925-V927 PolarHBondContact O-N 3.15Å; V925-V927 VanDerWaalsContact O-N 3.1Å; V927-M929 HydrophobicContact CG1-SD 4.43Å; V927-P981 HydrophobicContact CG1-CB 3.34Å
928	A	28.3	Very low	34	Very low	34 Å²	34	79 Å²	79	28%	0.281	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120	169.5	0	0	0	0	0	110	S926 V930 V982 L984	S926-A928 PolarHBondContact O-N 3.41Å; A928-V930 PolarHBondContact O-N 2.88Å; A928-V982 PolarHBondContact N-O 2.79Å; A928-V982 PolarHBondContact O-N 3.02Å; A928-L984 HydrophobicContact CB-CD1 3.83Å; A928-L984 HydrophobicContact CB-CG 4.24Å
929	M	33.3	Very low	34.8	Very low	107 Å²	107	73.6 Å²	73.6	53%	0.527	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	99.2	174.6	-70.4	-65.2	-88.9	0	0	110	V927 P981	V927-M929 HydrophobicContact CG1-SD 4.43Å; M929-P981 HydrophobicContact SD-CB 3.87Å
930	V	35.1	Very low	35.6	Very low	64 Å²	64	72.4 Å²	72.4	39%	0.388	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.3	-179.5	-174.9	0	0	0	0	109.6	A928 V932 Y979 I980 V982	A928-V930 PolarHBondContact O-N 2.88Å; V930-V932 HydrophobicContact CG1-CG1 3.95Å; V930-Y979 WeakPolarHBondContact O-CA 3.45Å; V930-I980 PolarHBondContact N-O 3.37Å; V930-I980 PolarHBondContact O-N 3.36Å; V930-V982 HydrophobicContact CB-CG2 4.1Å; V930-V982 HydrophobicContact CG2-CB 4.14Å; V930-V982 HydrophobicContact CG2-CG2 3.6Å
931	S	40.3	Very low	36.4	Very low	53 Å²	53	73.1 Å²	73.1	37%	0.371	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	119.8	172.2	78.4	0	0	0	0	110.4	L978	S931-L978 CarbonylContact C-O 3.54Å; S931-L978 WeakPolarHBondContact CA-O 3.06Å
932	V	40.2	Very low	37	Very low	11 Å²	11	75.2 Å²	75.2	7%	0.067	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.9	-179.3	-66.2	0	0	0	0	111.2	V930 E936 A937 I940 L978 I980	V930-V932 HydrophobicContact CG1-CG1 3.95Å; V932-E936 HydrophobicContact CB-CB 3.94Å; V932-E936 HydrophobicContact CG1-CB 4.29Å; V932-A937 HydrophobicContact CG2-CB 3.95Å; V932-I940 HydrophobicContact CG1-CD1 4.09Å; V932-L978 HydrophobicContact CG2-CB 4.01Å; V932-L978 PolarHBondContact N-O 3.11Å; V932-L978 PolarHBondContact O-N 3.03Å; V932-I980 HydrophobicContact CG2-CD1 3.63Å; V932-I980 HydrophobicContact CG2-CG1 3.85Å
933	T	47.3	Very low	37.5	Very low	57 Å²	57	77.4 Å²	77.4	35%	0.35	46%	0.456	S	S	.	.			trans	-70.6	160.1	163.6	62	0	0	0	0	110.6	S935 E936 A937	T933-S935 PolarHBondContact O-N 3.38Å; T933-S935 PolarHBondContact OG1-OG 3.18Å; T933-E936 VanDerWaalsContact CB-OE2 3.27Å; T933-E936 WeakPolarHBondContact CB-OE2 3.42Å; T933-E936 WeakPolarHBondContact CG2-OE2 3.21Å; T933-E936 PolarHBondContact N-OE2 3.26Å; T933-E936 PolarHBondContact O-N 3.16Å; T933-E936 VanDerWaalsContact OG1-CD 3.25Å; T933-E936 WeakPolarHBondContact OG1-CG 3.27Å; T933-E936 PolarHBondContact OG1-N 3.45Å; T933-E936 PolarHBondContact OG1-OE2 3.01Å; T933-A937 PolarHBondContact O-N 2.87Å
934	A	47.1	Very low	37.8	Very low	70 Å²	70	76.2 Å²	76.2	58%	0.579	45%	0.45	S	S	*	.	H	α-helix	trans	-58	-29.8	173.9	0	0	0	0	0	113	A938 L978	A934-A938 WeakPolarHBondContact O-CB 3.41Å; A934-A938 PolarHBondContact O-N 2.87Å; A934-L978 HydrophobicContact CB-CD1 4.35Å
935	S	49.6	Very low	38	Very low	87 Å²	87	77 Å²	77	61%	0.608	45%	0.45	S	S	*	.	H	α-helix	trans	-68.6	-39.7	172.9	30.4	0	0	0	0	113.6	T933 A938 A939	T933-S935 PolarHBondContact O-N 3.38Å; T933-S935 PolarHBondContact OG1-OG 3.18Å; S935-A938 CarbonylContact O-C 3.47Å; S935-A938 PolarHBondContact O-N 2.91Å; S935-A939 PolarHBondContact O-N 3.06Å; S935-A939 VanDerWaalsContact O-N 3.11Å
936	E	46.5	Very low	38.2	Very low	101 Å²	101	78.2 Å²	78.2	47%	0.472	46%	0.461	S	S	.	.	H	α-helix	trans	-74	-41.6	179.1	-72.8	157.4	141.1	0	0	110.9	V932 T933 A938 A939 I940	V932-E936 HydrophobicContact CB-CB 3.94Å; V932-E936 HydrophobicContact CG1-CB 4.29Å; T933-E936 VanDerWaalsContact CB-OE2 3.27Å; T933-E936 WeakPolarHBondContact CB-OE2 3.42Å; T933-E936 WeakPolarHBondContact CG2-OE2 3.21Å; T933-E936 PolarHBondContact N-OE2 3.26Å; T933-E936 PolarHBondContact O-N 3.16Å; T933-E936 VanDerWaalsContact OG1-CD 3.25Å; T933-E936 WeakPolarHBondContact OG1-CG 3.27Å; T933-E936 PolarHBondContact OG1-N 3.45Å; T933-E936 PolarHBondContact OG1-OE2 3.01Å; E936-A938 VanDerWaalsContact C-N 3.3Å; E936-A938 PolarHBondContact O-N 3.43Å; E936-A939 WeakPolarHBondContact O-CB 3.43Å; E936-A939 PolarHBondContact O-N 3.36Å; E936-I940 WeakPolarHBondContact O-CG1 3.42Å; E936-I940 PolarHBondContact O-N 3.11Å
937	A	45.7	Very low	38.4	Very low	8 Å²	8	84.9 Å²	84.9	7%	0.066	48%	0.478	C	S	.	.	H	α-helix	trans	-53.3	-48.5	168.9	0	0	0	0	0	111.4	V932 T933 A939 I940 Y941 L978 I980	V932-A937 HydrophobicContact CG2-CB 3.95Å; T933-A937 PolarHBondContact O-N 2.87Å; A937-A939 PolarHBondContact O-N 2.92Å; A937-I940 PolarHBondContact O-N 3.22Å; A937-Y941 WeakPolarHBondContact O-CD2 3.49Å; A937-Y941 PolarHBondContact O-N 3.09Å; A937-L978 HydrophobicContact CB-CD1 4.09Å; A937-I980 HydrophobicContact CB-CD1 3.76Å
938	A	45.3	Very low	38.2	Very low	37 Å²	37	85.8 Å²	85.8	31%	0.306	50%	0.501	S	S	.	.	H	α-helix	trans	-71.4	-5.3	177.8	0	0	0	0	0	114.5	A934 S935 E936 R942	A934-A938 WeakPolarHBondContact O-CB 3.41Å; A934-A938 PolarHBondContact O-N 2.87Å; S935-A938 CarbonylContact O-C 3.47Å; S935-A938 PolarHBondContact O-N 2.91Å; E936-A938 VanDerWaalsContact C-N 3.3Å; E936-A938 PolarHBondContact O-N 3.43Å; A938-R942 WeakPolarHBondContact O-CD 3.31Å; A938-R942 WeakPolarHBondContact O-CG 3.33Å; A938-R942 PolarHBondContact O-NE 3.07Å
939	A	42.1	Very low	38.2	Very low	50 Å²	50	93.8 Å²	93.8	41%	0.413	53%	0.526	S	S	.	.	H	α-helix	trans	-96.9	-42.3	170.7	0	0	0	0	0	111.4	S935 E936 A937 Y941 R942	S935-A939 PolarHBondContact O-N 3.06Å; S935-A939 VanDerWaalsContact O-N 3.11Å; E936-A939 WeakPolarHBondContact O-CB 3.43Å; E936-A939 PolarHBondContact O-N 3.36Å; A937-A939 PolarHBondContact O-N 2.92Å; A939-Y941 PolarHBondContact O-N 3.21Å; A939-R942 PolarHBondContact O-N 2.99Å; A939-R942 VanDerWaalsContact O-N 3.11Å
940	I	42.1	Very low	37.8	Very low	82 Å²	82	94.9 Å²	94.9	42%	0.421	54%	0.544	S	S	.	.	H	α-helix	trans	-54.4	-53.9	175.6	-68.7	163.1	0	0	0	110	V932 E936 A937 R942 N943 S944	V932-I940 HydrophobicContact CG1-CD1 4.09Å; E936-I940 WeakPolarHBondContact O-CG1 3.42Å; E936-I940 PolarHBondContact O-N 3.11Å; A937-I940 PolarHBondContact O-N 3.22Å; I940-R942 PolarHBondContact O-N 3.39Å; I940-N943 PolarHBondContact O-N 3.48Å; I940-S944 PolarHBondContact O-OG 3.2Å
941	Y	40.4	Very low	37.4	Very low	130 Å²	130	94.3 Å²	94.3	51%	0.51	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.2	-4.7	-179.6	-77.2	-73	0	0	0	115.3	A937 A939 I980	A937-Y941 WeakPolarHBondContact O-CD2 3.49Å; A937-Y941 PolarHBondContact O-N 3.09Å; A939-Y941 PolarHBondContact O-N 3.21Å; Y941-I980 HydrophobicContact CE2-CD1 4.18Å
942	R	38.7	Very low	36.8	Very low	196 Å²	196	99.6 Å²	99.6	74%	0.74	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-18	174.9	-72.3	-176.4	-148.5	-150.7	2.5	114.4	A938 A939 I940	A938-R942 WeakPolarHBondContact O-CD 3.31Å; A938-R942 WeakPolarHBondContact O-CG 3.33Å; A938-R942 PolarHBondContact O-NE 3.07Å; A939-R942 PolarHBondContact O-N 2.99Å; A939-R942 VanDerWaalsContact O-N 3.11Å; I940-R942 PolarHBondContact O-N 3.39Å
943	N	33.4	Very low	36.2	Very low	131 Å²	131	105.8 Å²	105.8	70%	0.701	61%	0.613	S	S	*	*	S	Bend	trans	-104.1	-2.4	-174	-74.1	-15.1	0	0	0	114	I940 S945	I940-N943 PolarHBondContact O-N 3.48Å; N943-S945 PolarHBondContact O-N 3.44Å
944	S	33.3	Very low	35.1	Very low	81 Å²	81	111.1 Å²	111.1	57%	0.566	64%	0.636	S	S	*	*			trans	-76.7	26.9	-172.8	-48.8	0	0	0	0	115.5	I940 C946	I940-S944 PolarHBondContact O-OG 3.2Å; S944-C946 VanDerWaalsContact C-N 3.34Å; S944-C946 PolarHBondContact O-N 2.86Å
945	S	30.6	Very low	34.3	Very low	108 Å²	108	113.2 Å²	113.2	76%	0.755	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	10.7	-173.4	51.6	0	0	0	0	115.2	N943	N943-S945 PolarHBondContact O-N 3.44Å
946	C	30.5	Very low	33.2	Very low	100 Å²	100	115.9 Å²	115.9	68%	0.676	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	-0.9	-170.6	-61.4	0	0	0	0	115.6	S944	S944-C946 VanDerWaalsContact C-N 3.34Å; S944-C946 PolarHBondContact O-N 2.86Å
947	Y	28.8	Very low	32.3	Very low	203 Å²	203	120 Å²	120	80%	0.796	67%	0.67	S	S	*	*	S	Bend	trans	-129	124	-179.9	-66.1	-83.1	0	0	0	110.6	Y949	Y947-Y949 PolarHBondContact O-N 3.05Å
948	G	24.2	Very low	31.4	Very low	91 Å²	91	123.5 Å²	123.5	94%	0.938	71%	0.706	S	S	*	*			trans	-77.8	88.5	-169.3	0	0	0	0	0	114.1
949	Y	26.8	Very low	30.7	Very low	202 Å²	202	128.7 Å²	128.7	79%	0.792	73%	0.734	S	S	*	*			trans	-97.8	110.1	167.8	-92.4	-88.6	0	0	0	111.4	Y947 G951	Y947-Y949 PolarHBondContact O-N 3.05Å; Y949-G951 PolarHBondContact O-N 3.39Å
950	S	25.5	Very low	30	Very low	130 Å²	130	131.4 Å²	131.4	91%	0.909	75%	0.749	S	S	*	*			trans	-83.6	79.3	169.3	56.8	0	0	0	0	110.7
951	G	28	Very low	29.3	Very low	53 Å²	53	133.7 Å²	133.7	55%	0.546	77%	0.768	S	S	.	*			trans	-124	128.9	171	0	0	0	0	0	110.3	Y949 V953	Y949-G951 PolarHBondContact O-N 3.39Å; G951-V953 PolarHBondContact O-N 3.29Å; G951-V953 VanDerWaalsContact O-N 3.16Å
952	N	27.1	Very low	28.7	Very low	164 Å²	164	132.8 Å²	132.8	88%	0.877	79%	0.787	S	S	*	*			trans	-69.4	110.9	-169.3	-69.1	-25.7	0	0	0	112.6
953	V	26.7	Very low	28.3	Very low	141 Å²	141	128.1 Å²	128.1	86%	0.855	79%	0.79	S	S	*	*			trans	-95.8	93.5	168.9	180	0	0	0	0	108.7	G951	G951-V953 PolarHBondContact O-N 3.29Å; G951-V953 VanDerWaalsContact O-N 3.16Å
954	M	25.5	Very low	28.2	Very low	168 Å²	168	125 Å²	125	83%	0.828	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-86.9	128.7	173.1	-69.6	-82.8	-94.3	0	0	109.7
955	P	29.1	Very low	28	Very low	114 Å²	114	127.9 Å²	127.9	74%	0.74	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-80.2	127	177.6	31.4	-32.5	0	0	0	111.2
956	L	27.6	Very low	28.2	Very low	143 Å²	143	127 Å²	127	75%	0.749	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-78	118.8	165.1	-105	169.5	0	0	0	109.5	L1043	L956-L1043 HydrophobicContact CD1-CD1 4.12Å; L956-L1043 HydrophobicContact CD2-CD1 3.55Å; L956-L1043 HydrophobicContact CG-CD1 3.84Å
957	E	26	Very low	28.2	Very low	189 Å²	189	126 Å²	126	88%	0.883	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-71.9	146	172.7	-61.4	-161.5	145.4	0	0	111.2
958	G	28.2	Very low	28.2	Very low	80 Å²	80	121.2 Å²	121.2	83%	0.825	78%	0.783	S	S	*	*			trans	134.2	-15.4	164.3	0	0	0	0	0	118.1
959	V	29.2	Very low	28.4	Very low	146 Å²	146	121.6 Å²	121.6	89%	0.885	76%	0.764	S	S	*	*			trans	-117.4	130.3	-174.8	-173.8	0	0	0	0	112.9
960	S	28.9	Very low	28.5	Very low	107 Å²	107	119.6 Å²	119.6	75%	0.748	76%	0.756	S	S	*	*			trans	-85.9	127.6	-175.5	-168.4	0	0	0	0	113.5
961	T	26.1	Very low	28.8	Very low	131 Å²	131	115.9 Å²	115.9	80%	0.804	73%	0.733	S	S	*	*	S	Bend	trans	-7.3	114.8	165.3	56.3	0	0	0	0	118.7
962	A	28.1	Very low	28.9	Very low	110 Å²	110	118.6 Å²	118.6	91%	0.909	74%	0.739	S	S	*	*	S	Bend	trans	-173.7	-5.1	144.9	0	0	0	0	0	116.3
963	A	31.6	Very low	29.3	Very low	99 Å²	99	114.8 Å²	114.8	82%	0.818	73%	0.73	S	S	*	*	S	Bend	trans	-138.6	160.6	179.4	0	0	0	0	0	112
964	G	30.5	Very low	29.6	Very low	65 Å²	65	114.1 Å²	114.1	67%	0.67	72%	0.722	S	S	*	*			trans	-75	140	177.7	0	0	0	0	0	112.2
965	V	30	Very low	30.1	Very low	141 Å²	141	110.1 Å²	110.1	86%	0.855	72%	0.724	S	S	*	*			trans	-70.2	128.8	175.6	-178.7	0	0	0	0	109.5
966	I	33.5	Very low	30.6	Very low	91 Å²	91	113.2 Å²	113.2	47%	0.467	73%	0.728	S	S	.	*			trans	-113.5	131.6	171.6	-61.8	175.1	0	0	0	107.1	A968 L978	I966-A968 PolarHBondContact O-N 3.26Å; I966-L978 HydrophobicContact CD1-CD1 4.05Å; I966-L978 HydrophobicContact CD1-CD2 4.2Å
967	P	31.7	Very low	31.1	Very low	79 Å²	79	111.5 Å²	111.5	51%	0.513	72%	0.715	S	S	.	*			trans	-59	132.4	175.4	-23.8	34.4	0	0	0	111.6	N969	P967-N969 PolarHBondContact O-N 3.07Å
968	A	27.7	Very low	31.7	Very low	101 Å²	101	103.9 Å²	103.9	84%	0.835	68%	0.68	S	S	*	*	S	Bend	trans	-78.4	71.6	177.2	0	0	0	0	0	111.3	I966	I966-A968 PolarHBondContact O-N 3.26Å
969	N	28.6	Very low	32.2	Very low	99 Å²	99	104.3 Å²	104.3	53%	0.529	66%	0.657	S	S	.	*	S	Bend	trans	-168	145.5	158.8	-92	-34	0	0	0	109.4	P967	P967-N969 PolarHBondContact O-N 3.07Å
970	Y	29.3	Very low	32.5	Very low	160 Å²	160	98.3 Å²	98.3	63%	0.627	62%	0.62	S	S	*	*	S	Bend	trans	67.3	29.4	175.4	-52.1	-75.2	0	0	0	119.1	F921	F921-Y970 HydrophobicContact CE1-CE1 4.44Å; F921-Y970 HydrophobicContact CZ-CE1 4.43Å
971	A	30.9	Very low	32.8	Very low	52 Å²	52	96 Å²	96	43%	0.43	60%	0.603	S	S	.	*			trans	-120.8	99.9	173.2	0	0	0	0	0	113.1	A973 L978	A971-A973 PolarHBondContact O-N 2.85Å; A971-L978 HydrophobicContact CB-CD2 4.3Å
972	V	31.1	Very low	33.2	Very low	111 Å²	111	92.3 Å²	92.3	67%	0.673	58%	0.58	S	S	*	*			trans	-86	103.9	168.5	-179.5	0	0	0	0	108.9
973	A	34.5	Very low	33.3	Very low	83 Å²	83	93.1 Å²	93.1	69%	0.686	56%	0.564	S	S	*	*			trans	-84	112.4	178.4	0	0	0	0	0	110.8	A971	A971-A973 PolarHBondContact O-N 2.85Å
974	N	33.7	Very low	33.1	Very low	128 Å²	128	92.7 Å²	92.7	68%	0.684	55%	0.548	S	S	*	.	B	Isolated β-bridge	trans	-120.8	91.5	179.9	-150.5	-9.4	0	0	0	110.6	E976	N974-E976 VanDerWaalsContact C-N 3.34Å; N974-E976 PolarHBondContact O-N 2.86Å
975	G	35.6	Very low	33	Very low	84 Å²	84	93.7 Å²	93.7	87%	0.866	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	-70.5	175.3	0	0	0	0	0	115.7
976	E	40.7	Very low	32.8	Very low	178 Å²	178	92.4 Å²	92.4	83%	0.832	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.8	-4.7	-168.9	-66	-174.7	141.8	0	0	114.1	N974	N974-E976 VanDerWaalsContact C-N 3.34Å; N974-E976 PolarHBondContact O-N 2.86Å
977	K	38.3	Very low	32.8	Very low	108 Å²	108	93.9 Å²	93.9	47%	0.47	54%	0.539	S	S	.	.	B	Isolated β-bridge	trans	-123	135.6	-173.9	-63.9	-176.6	177.3	-170.5	0	112.3	Y979	K977-Y979 HydrophobicContact CB-CE2 4.36Å
978	L	38.4	Very low	32.7	Very low	29 Å²	29	96.4 Å²	96.4	15%	0.152	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.2	161.5	-86.9	154.4	0	0	0	108.3	S931 V932 A934 A937 I966 A971	S931-L978 CarbonylContact C-O 3.54Å; S931-L978 WeakPolarHBondContact CA-O 3.06Å; V932-L978 HydrophobicContact CG2-CB 4.01Å; V932-L978 PolarHBondContact N-O 3.11Å; V932-L978 PolarHBondContact O-N 3.03Å; A934-L978 HydrophobicContact CB-CD1 4.35Å; A937-L978 HydrophobicContact CB-CD1 4.09Å; I966-L978 HydrophobicContact CD1-CD1 4.05Å; I966-L978 HydrophobicContact CD1-CD2 4.2Å; A971-L978 HydrophobicContact CB-CD2 4.3Å
979	Y	37.8	Very low	32.8	Very low	89 Å²	89	99.4 Å²	99.4	35%	0.349	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.4	166.4	-64.8	-90.3	0	0	0	107.9	V930 K977	V930-Y979 WeakPolarHBondContact O-CA 3.45Å; K977-Y979 HydrophobicContact CB-CE2 4.36Å
980	I	36.6	Very low	32.8	Very low	20 Å²	20	101 Å²	101	10%	0.103	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.3	130.4	178.9	-60.9	-176.8	0	0	0	108.9	V930 V932 A937 Y941 V982	V930-I980 PolarHBondContact N-O 3.37Å; V930-I980 PolarHBondContact O-N 3.36Å; V932-I980 HydrophobicContact CG2-CD1 3.63Å; V932-I980 HydrophobicContact CG2-CG1 3.85Å; A937-I980 HydrophobicContact CB-CD1 3.76Å; Y941-I980 HydrophobicContact CE2-CD1 4.18Å; I980-V982 PolarHBondContact O-N 3.44Å
981	P	34.4	Very low	32.7	Very low	59 Å²	59	96.9 Å²	96.9	38%	0.383	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.6	111.3	169.6	28.3	-33.1	0	0	0	110	V927 M929	V927-P981 HydrophobicContact CG1-CB 3.34Å; M929-P981 HydrophobicContact SD-CB 3.87Å
982	V	33.6	Very low	32.5	Very low	53 Å²	53	99.9 Å²	99.9	32%	0.321	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.6	120.5	174	-179.1	0	0	0	0	109.1	A928 V930 I980 L984	A928-V982 PolarHBondContact N-O 2.79Å; A928-V982 PolarHBondContact O-N 3.02Å; V930-V982 HydrophobicContact CB-CG2 4.1Å; V930-V982 HydrophobicContact CG2-CB 4.14Å; V930-V982 HydrophobicContact CG2-CG2 3.6Å; I980-V982 PolarHBondContact O-N 3.44Å; V982-L984 PolarHBondContact O-N 3.05Å
983	H	31.4	Very low	32.2	Very low	126 Å²	126	97.8 Å²	97.8	58%	0.583	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.5	108.9	171.4	-123.6	-83.2	0	0	0	108.8	V925	V925-H983 WeakPolarHBondContact CG1-CE1 3.49Å
984	L	28.1	Very low	31.9	Very low	91 Å²	91	103.9 Å²	103.9	48%	0.476	58%	0.582	S	S	.	*			trans	-85	115	169.5	-68.6	174.4	0	0	0	108.9	A928 V982	A928-L984 HydrophobicContact CB-CD1 3.83Å; A928-L984 HydrophobicContact CB-CG 4.24Å; V982-L984 PolarHBondContact O-N 3.05Å
985	A	27.3	Very low	31.5	Very low	86 Å²	86	107 Å²	107	71%	0.711	59%	0.592	S	S	*	*			trans	-66.4	143.2	167.8	0	0	0	0	0	109.5	Q987	A985-Q987 PolarHBondContact O-N 3.35Å
986	Q	26.8	Very low	31	Very low	114 Å²	114	105.8 Å²	105.8	53%	0.533	58%	0.581	S	S	.	*	S	Bend	trans	-84.5	33.2	-165.3	-136.9	142.3	30.3	0	0	113.9	C818	C818-Q986 HydrophobicContact CB-CG 3.86Å; C818-Q986 PolarHBondContact SG-NE2 3.31Å
987	Q	32.4	Very low	30.4	Very low	121 Å²	121	108 Å²	108	57%	0.565	59%	0.588	S	S	*	*	S	Bend	trans	-143.4	111.6	176.3	-68	-178.6	-22.1	0	0	108.5	Y816 A985	Y816-Q987 HydrophobicContact CE1-CG 4.33Å; A985-Q987 PolarHBondContact O-N 3.35Å
988	D	29.8	Very low	29.9	Very low	133 Å²	133	107.6 Å²	107.6	71%	0.711	61%	0.605	S	S	*	*			trans	159.2	-8.5	152.8	-92.7	-14.4	0	0	0	114.6	N990 S991	D988-N990 PolarHBondContact O-N 2.81Å; D988-S991 PolarHBondContact O-N 3.3Å; D988-S991 VanDerWaalsContact O-N 3.09Å
989	I	29	Very low	29.2	Very low	163 Å²	163	111.4 Å²	111.4	84%	0.836	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-17.3	-172.8	-73.1	175.8	0	0	0	114.8
990	N	28.7	Very low	28.6	Very low	133 Å²	133	110.6 Å²	110.6	71%	0.711	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	9.9	178.2	-73.3	-28.1	0	0	0	114.9	D815 D988	D815-N990 PolarHBondContact O-ND2 3.39Å; D988-N990 PolarHBondContact O-N 2.81Å
991	S	28.8	Very low	28.3	Very low	73 Å²	73	115.8 Å²	115.8	51%	0.51	70%	0.697	S	S	.	*			trans	-121.3	69.5	-175.2	-165.6	0	0	0	0	114.4	D988 A993	D988-S991 PolarHBondContact O-N 3.3Å; D988-S991 VanDerWaalsContact O-N 3.09Å; S991-A993 PolarHBondContact O-N 3.05Å
992	A	26.1	Very low	27.9	Very low	115 Å²	115	120.6 Å²	120.6	95%	0.95	72%	0.718	S	S	*	*			trans	-76.7	59.2	173.3	0	0	0	0	0	112.6
993	A	25	Very low	27.7	Very low	68 Å²	68	123.9 Å²	123.9	56%	0.562	74%	0.74	S	S	*	*			trans	-136.9	15	-168.8	0	0	0	0	0	116.4	S991 H995	S991-A993 PolarHBondContact O-N 3.05Å; A993-H995 VanDerWaalsContact C-N 3.34Å; A993-H995 PolarHBondContact O-N 3.03Å
994	F	27.1	Very low	27.4	Very low	210 Å²	210	124 Å²	124	92%	0.921	75%	0.751	S	S	*	*			trans	-76.1	81.8	174.7	-110.1	-78.5	0	0	0	112.8
995	H	26.2	Very low	27.5	Very low	193 Å²	193	127.9 Å²	127.9	89%	0.894	77%	0.77	S	S	*	*			trans	-69.3	126.4	167.5	-97.4	-81.4	0	0	0	111.3	A993	A993-H995 VanDerWaalsContact C-N 3.34Å; A993-H995 PolarHBondContact O-N 3.03Å
996	G	25.4	Very low	27.4	Very low	60 Å²	60	126.8 Å²	126.8	62%	0.619	77%	0.768	S	S	*	*			trans	122.8	78.3	149.8	0	0	0	0	0	117.7
997	F	28.3	Very low	27.8	Very low	223 Å²	223	129.1 Å²	129.1	98%	0.978	78%	0.784	S	S	*	*				-143.2	147.1	122.9	-104.5	-75.1	0	0	0	109.6
998	A	26.8	Very low	27.6	Very low	101 Å²	101	130.5 Å²	130.5	84%	0.835	79%	0.794	S	S	*	*			trans	-84.2	142.6	-163.8	0	0	0	0	0	113.7
999	A	23.1	Very low	27.6	Very low	109 Å²	109	130.2 Å²	130.2	90%	0.901	80%	0.8	S	S	*	*			trans	-78.8	143.3	174.7	0	0	0	0	0	112.2
1000	G	26.2	Very low	27.5	Very low	72 Å²	72	131.3 Å²	131.3	74%	0.742	80%	0.801	S	S	*	*			trans	147.8	78.9	161.9	0	0	0	0	0	117.2
1001	S	30	Very low	27.4	Very low	129 Å²	129	128.4 Å²	128.4	90%	0.902	80%	0.803	S	S	*	*			trans	-167.2	116	144.6	-84.4	0	0	0	0	111.7
1002	I	25.8	Very low	27.4	Very low	160 Å²	160	131.4 Å²	131.4	82%	0.821	82%	0.818	S	S	*	*			trans	-98.3	138	177.3	-77.4	168.7	0	0	0	106.3
1003	P	29	Very low	27.5	Very low	121 Å²	121	132.7 Å²	132.7	79%	0.786	81%	0.807	S	S	*	*				-146.4	146.3	83.8	36.7	-17	0	0	0	118.7
1004	T	26.3	Very low	27.4	Very low	130 Å²	130	135.3 Å²	135.3	80%	0.798	82%	0.819	S	S	*	*			trans	-65.7	145	163.5	50.1	0	0	0	0	112.6
1005	L	29.3	Very low	27.3	Very low	171 Å²	171	132 Å²	132	90%	0.895	82%	0.815	S	S	*	*			trans	-137.3	105.8	162.1	-115.7	168.6	0	0	0	109.4
1006	G	25.5	Very low	27.1	Very low	63 Å²	63	132 Å²	132	65%	0.649	82%	0.815	S	S	*	*			trans	-112.3	138.7	174.5	0	0	0	0	0	111.1
1007	N	35	Very low	27.2	Very low	163 Å²	163	133.9 Å²	133.9	87%	0.872	83%	0.825	S	S	*	*			trans	-158.7	125.2	159.2	-94.7	-40	0	0	0	109
1008	L	27.3	Very low	27.1	Very low	150 Å²	150	134.3 Å²	134.3	79%	0.785	82%	0.82	S	S	*	*			trans	-85.7	167.6	174.7	-81.6	144.3	0	0	0	110.9
1009	P	31	Very low	27	Very low	127 Å²	127	135.9 Å²	135.9	83%	0.825	82%	0.822	S	S	*	*				-131.7	168.7	102.1	15.9	4.4	0	0	0	114.1
1010	Q	27.3	Very low	27.3	Very low	187 Å²	187	135.4 Å²	135.4	87%	0.874	82%	0.818	S	S	*	*			trans	-102.6	159.5	-177.8	-64.2	174	-47.1	0	0	113
1011	G	26.8	Very low	27.1	Very low	72 Å²	72	138.1 Å²	138.1	74%	0.742	83%	0.826	S	S	*	*			trans	118.1	133.9	179.7	0	0	0	0	0	110.4
1012	V	27.9	Very low	27.1	Very low	135 Å²	135	136.7 Å²	136.7	82%	0.818	82%	0.821	S	S	*	*			cis	-137.8	143.6	31.7	170.2	0	0	0	0	113.3
1013	I	27.5	Very low	26.9	Very low	142 Å²	142	138.1 Å²	138.1	73%	0.728	83%	0.827	S	S	*	*			trans	4.1	131.9	153.5	-53.8	165.3	0	0	0	118.2
1014	P	22.8	Very low	26.7	Very low	124 Å²	124	139.2 Å²	139.2	81%	0.805	83%	0.831	S	S	*	*			trans	-77.6	151.9	173.9	34.1	-36.5	0	0	0	113.4
1015	V	25.9	Very low	26.6	Very low	139 Å²	139	137.6 Å²	137.6	84%	0.842	83%	0.831	S	S	*	*			trans	-126.4	132.1	173	178.1	0	0	0	0	109.7
1016	Q	23.1	Very low	26.4	Very low	193 Å²	193	136.1 Å²	136.1	90%	0.902	83%	0.829	S	S	*	*			trans	-79.4	138.9	174.5	-63.4	173.1	-48.1	0	0	110.6
1017	A	27.3	Very low	26.5	Very low	100 Å²	100	138.5 Å²	138.5	83%	0.826	83%	0.832	S	S	*	*			trans	-114.9	143	164	0	0	0	0	0	109.6
1018	R	25	Very low	26.1	Very low	233 Å²	233	136.7 Å²	136.7	88%	0.879	83%	0.828	S	S	*	*			trans	-98.8	154.7	174.8	-70.4	177.2	174.2	178.9	-4.1	109.7
1019	P	24	Very low	26.2	Very low	133 Å²	133	139.9 Å²	139.9	86%	0.864	84%	0.836	S	S	*	*			trans	-65.8	144.9	166.4	30.5	-35.1	0	0	0	110.4
1020	A	29.5	Very low	25.9	Very low	99 Å²	99	138.1 Å²	138.1	82%	0.818	83%	0.832	S	S	*	*			trans	-157	115.9	171.4	0	0	0	0	0	110.6
1021	S	23.4	Very low	25.8	Very low	130 Å²	130	139.4 Å²	139.4	91%	0.909	83%	0.828	S	S	*	*			trans	-76.4	140	172.7	-31.3	0	0	0	0	110.7
1022	A	28.8	Very low	25.7	Very low	98 Å²	98	141.7 Å²	141.7	81%	0.81	82%	0.824	S	S	*	*			trans	-159.7	122.2	164.9	0	0	0	0	0	112
1023	M	22.1	Very low	25.8	Very low	191 Å²	191	144.6 Å²	144.6	94%	0.941	83%	0.829	S	S	*	*			trans	-69.9	144.4	163.8	-74.3	179	164.2	0	0	111
1024	V	25	Very low	25.8	Very low	144 Å²	144	148.5 Å²	148.5	87%	0.873	84%	0.836	S	S	*	*			trans	-141.6	119.3	146.2	-177.5	0	0	0	0	108.8
1025	A	23.2	Very low	26	Very low	95 Å²	95	149.5 Å²	149.5	79%	0.785	83%	0.834	S	S	*	*			trans	-106.2	150.9	168.6	0	0	0	0	0	110.4
1026	V	27.1	Very low	26.1	Very low	141 Å²	141	149.3 Å²	149.3	86%	0.855	83%	0.828	S	S	*	*			trans	-158.3	148.7	164.9	123.9	0	0	0	0	109.1
1027	P	27.2	Very low	26.3	Very low	112 Å²	112	148.3 Å²	148.3	73%	0.727	83%	0.829	S	S	*	*			trans	-111.8	179.2	-140.7	41.7	-37.4	0	0	0	117.4
1028	T	26.2	Very low	26.3	Very low	126 Å²	126	151.7 Å²	151.7	77%	0.773	83%	0.828	S	S	*	*			trans	-48.3	149.6	173.3	53.6	0	0	0	0	116.5
1029	F	29	Very low	26.3	Very low	217 Å²	217	148.4 Å²	148.4	95%	0.952	83%	0.828	S	S	*	*			trans	-138.9	163.3	144	-101.8	-81.2	0	0	0	110.1
1030	A	25.2	Very low	26.5	Very low	90 Å²	90	145.5 Å²	145.5	74%	0.744	82%	0.822	S	S	*	*			trans	-131.7	174.9	-158	0	0	0	0	0	114.5
1031	R	24.7	Very low	26.5	Very low	213 Å²	213	148 Å²	148	80%	0.804	82%	0.821	S	S	*	*			trans	107.2	124.9	158	-70.1	-163.6	129.2	102.9	8.6	119.5
1032	D	25.1	Very low	26.8	Very low	121 Å²	121	148.7 Å²	148.7	65%	0.647	82%	0.82	S	S	*	*				49.5	110.8	122.6	-39.4	-16.7	0	0	0	118.2
1033	E	30	Very low	26.7	Very low	196 Å²	196	149.9 Å²	149.9	92%	0.916	81%	0.812	S	S	*	*				-165.3	157.6	101.3	-104.6	174.5	-176.2	0	0	112.4
1034	Y	26.9	Very low	27.1	Very low	224 Å²	224	146 Å²	146	88%	0.878	80%	0.804	S	S	*	*			trans	-80.6	141.5	172.2	-75.7	-116.1	0	0	0	109.5
1035	D	28.1	Very low	27.5	Very low	144 Å²	144	144 Å²	144	77%	0.77	79%	0.788	S	S	*	*				-166.8	163.7	107.5	-130.8	-36	0	0	0	114.2
1036	N	26.6	Very low	28	Very low	135 Å²	135	144.7 Å²	144.7	72%	0.722	78%	0.779	S	S	*	*			trans	-56.6	137.4	-177.4	-65	-93.4	0	0	0	114.7
1037	N	28.6	Very low	28.3	Very low	172 Å²	172	143.8 Å²	143.8	92%	0.92	77%	0.769	S	S	*	*			trans	-153.5	142.1	139.4	-101.6	-55.1	0	0	0	111.2
1038	E	26.3	Very low	28.7	Very low	171 Å²	171	142.4 Å²	142.4	80%	0.799	76%	0.756	S	S	*	*			trans	-88.6	150.3	-179.9	-58.8	172.4	133.5	0	0	110.9
1039	N	26.4	Very low	29.1	Very low	165 Å²	165	144.2 Å²	144.2	88%	0.882	75%	0.748	S	S	*	*			trans	73.6	108	175.1	-39.6	-82.2	0	0	0	115.3
1040	G	28.2	Very low	29.3	Very low	71 Å²	71	137.1 Å²	137.1	73%	0.732	73%	0.726	S	S	*	*			trans	-170.5	123	173.6	0	0	0	0	0	111.8
1041	D	28.6	Very low	29.7	Very low	152 Å²	152	133.8 Å²	133.8	81%	0.813	70%	0.7	S	S	*	*			trans	-54.4	141.1	-161.4	-57.5	-69.3	0	0	0	118.3	L1043	D1041-L1043 PolarHBondContact O-N 3.27Å
1042	V	29	Very low	30.3	Very low	145 Å²	145	125.2 Å²	125.2	88%	0.879	67%	0.669	S	S	*	*			trans	-84.2	93.2	177.1	-178.4	0	0	0	0	110.8
1043	L	28.2	Very low	31	Very low	123 Å²	123	123.8 Å²	123.8	64%	0.644	66%	0.658	S	S	*	*			trans	-137.1	50.5	-179.5	-75.9	176.6	0	0	0	114.8	L956 D1041	L956-L1043 HydrophobicContact CD1-CD1 4.12Å; L956-L1043 HydrophobicContact CD2-CD1 3.55Å; L956-L1043 HydrophobicContact CG-CD1 3.84Å; D1041-L1043 PolarHBondContact O-N 3.27Å
1044	S	28.8	Very low	31.5	Very low	109 Å²	109	120.5 Å²	120.5	76%	0.762	64%	0.641	S	S	*	*			trans	-162.9	91.3	166.5	57.9	0	0	0	0	113.7
1045	N	34.5	Very low	32.1	Very low	102 Å²	102	110.9 Å²	110.9	55%	0.545	60%	0.603	S	S	.	*			trans	-163.9	-8.1	161	-123.5	-19.6	0	0	0	118.9	N1047 N1048	N1045-N1047 VanDerWaalsContact C-N 3.27Å; N1045-N1047 PolarHBondContact O-N 3.18Å; N1045-N1047 VanDerWaalsContact O-N 3.07Å; N1045-N1048 WeakPolarHBondContact O-CB 3.16Å; N1045-N1048 PolarHBondContact O-N 3.18Å
1046	D	34.1	Very low	32.8	Very low	110 Å²	110	104.6 Å²	104.6	59%	0.588	57%	0.571	S	S	*	*	H	α-helix	trans	-63.2	-23.6	-166.6	-69	-48.8	0	0	0	116.2	N1048 R1049	D1046-N1048 VanDerWaalsContact C-N 3.33Å; D1046-N1048 PolarHBondContact O-N 3.32Å; D1046-R1049 IonicContact OD1-NH1 3.59Å; D1046-R1049 PolarHBondContact OD1-NH1 3.16Å
1047	N	33.4	Very low	33.5	Very low	121 Å²	121	101.9 Å²	101.9	65%	0.647	56%	0.557	S	S	*	*	H	α-helix	trans	-67.1	-33.5	174.6	-76.5	-21.8	0	0	0	112.6	N1045 S1050	N1045-N1047 VanDerWaalsContact C-N 3.27Å; N1045-N1047 PolarHBondContact O-N 3.18Å; N1045-N1047 VanDerWaalsContact O-N 3.07Å; N1047-S1050 PolarHBondContact O-N 3.46Å; N1047-S1050 PolarHBondContact O-OG 3.07Å
1048	N	34.8	Very low	34	Very low	84 Å²	84	95.5 Å²	95.5	45%	0.449	53%	0.528	S	S	.	.	H	α-helix	trans	-67.3	-46.3	-176.9	-132.1	12.5	0	0	0	110.7	N1045 D1046 S1050 G1051 Q1052	N1045-N1048 WeakPolarHBondContact O-CB 3.16Å; N1045-N1048 PolarHBondContact O-N 3.18Å; D1046-N1048 VanDerWaalsContact C-N 3.33Å; D1046-N1048 PolarHBondContact O-N 3.32Å; N1048-S1050 PolarHBondContact O-N 3.2Å; N1048-G1051 PolarHBondContact O-N 3.39Å; N1048-Q1052 VanDerWaalsContact O-CG 3.3Å; N1048-Q1052 WeakPolarHBondContact O-CG 3.49Å; N1048-Q1052 PolarHBondContact O-N 2.96Å; N1048-Q1052 VanDerWaalsContact O-N 3.09Å; N1048-Q1052 PolarHBondContact O-OE1 2.98Å
1049	R	34.4	Very low	34.7	Very low	164 Å²	164	87.9 Å²	87.9	62%	0.619	49%	0.493	S	S	*	.	H	α-helix	trans	-49.4	-35.8	177.5	-77.3	176.7	162	163.9	-8	113.4	D1046 Q1052 Q1053	D1046-R1049 IonicContact OD1-NH1 3.59Å; D1046-R1049 PolarHBondContact OD1-NH1 3.16Å; R1049-Q1052 VanDerWaalsContact CA-OE1 3.28Å; R1049-Q1052 VanDerWaalsContact N-OE1 3.08Å; R1049-Q1053 WeakPolarHBondContact O-CB 3.39Å; R1049-Q1053 PolarHBondContact O-N 2.83Å
1050	S	33.3	Very low	35.5	Very low	68 Å²	68	82.5 Å²	82.5	48%	0.476	46%	0.461	S	S	.	.	H	α-helix	trans	-71	-28.5	-177.7	78.4	0	0	0	0	114.5	N1047 N1048 K1054	N1047-S1050 PolarHBondContact O-N 3.46Å; N1047-S1050 PolarHBondContact O-OG 3.07Å; N1048-S1050 PolarHBondContact O-N 3.2Å; S1050-K1054 WeakPolarHBondContact O-CD 3.37Å; S1050-K1054 WeakPolarHBondContact O-CG 3.34Å
1051	G	34	Very low	36.2	Very low	20 Å²	20	82.4 Å²	82.4	21%	0.206	44%	0.443	C	S	.	.	H	α-helix	trans	-83.6	-45.1	173.1	0	0	0	0	0	111.1	N1048 Q1053 K1054 Y1055	N1048-G1051 PolarHBondContact O-N 3.39Å; G1051-Q1053 PolarHBondContact O-N 3.05Å; G1051-K1054 WeakPolarHBondContact O-CB 3.38Å; G1051-K1054 PolarHBondContact O-N 3.26Å; G1051-Y1055 PolarHBondContact O-N 2.85Å; G1051-Y1055 VanDerWaalsContact O-N 3.08Å
1052	Q	37.5	Very low	36.7	Very low	33 Å²	33	80.6 Å²	80.6	15%	0.154	43%	0.425	C	S	.	.	H	α-helix	trans	-55	-50.3	177.4	-68.4	170.9	-48.3	0	0	112	T338 N1048 R1049 K1054 Y1055 A1056	T338-Q1052 HydrophobicContact CG2-CB 3.66Å; T338-Q1052 HydrophobicContact CG2-CG 3.86Å; T338-Q1052 VanDerWaalsContact OG1-CB 3.26Å; T338-Q1052 WeakPolarHBondContact OG1-CB 3.32Å; T338-Q1052 VanDerWaalsContact OG1-CD 3.3Å; T338-Q1052 WeakPolarHBondContact OG1-CG 3.42Å; T338-Q1052 PolarHBondContact OG1-NE2 2.94Å; N1048-Q1052 VanDerWaalsContact O-CG 3.3Å; N1048-Q1052 WeakPolarHBondContact O-CG 3.49Å; N1048-Q1052 PolarHBondContact O-N 2.96Å; N1048-Q1052 VanDerWaalsContact O-N 3.09Å; N1048-Q1052 PolarHBondContact O-OE1 2.98Å; R1049-Q1052 VanDerWaalsContact CA-OE1 3.28Å; R1049-Q1052 VanDerWaalsContact N-OE1 3.08Å; Q1052-K1054 PolarHBondContact O-N 3.18Å; Q1052-Y1055 PolarHBondContact O-N 3.23Å; Q1052-Y1055 VanDerWaalsContact O-N 3.1Å; Q1052-A1056 PolarHBondContact O-N 3.15Å
1053	Q	39.1	Very low	37.1	Very low	90 Å²	90	74.5 Å²	74.5	42%	0.421	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-29	177.9	-166.6	72.3	96.2	0	0	112.8	E370 R1049 G1051 N1057	E370-Q1053 PolarHBondContact OE2-NE2 2.81Å; R1049-Q1053 WeakPolarHBondContact O-CB 3.39Å; R1049-Q1053 PolarHBondContact O-N 2.83Å; G1051-Q1053 PolarHBondContact O-N 3.05Å; Q1053-N1057 WeakPolarHBondContact O-CB 3.24Å; Q1053-N1057 PolarHBondContact O-N 3.11Å; Q1053-N1057 VanDerWaalsContact O-N 3.13Å; Q1053-N1057 PolarHBondContact O-ND2 2.96Å
1054	K	40.4	Very low	37.5	Very low	127 Å²	127	70.2 Å²	70.2	55%	0.552	37%	0.37	S	S	*	.	H	α-helix	trans	-71	-41.5	174.4	-73.2	172	-178.1	179.2	0	111.4	S1050 G1051 Q1052 N1057 A1058	S1050-K1054 WeakPolarHBondContact O-CD 3.37Å; S1050-K1054 WeakPolarHBondContact O-CG 3.34Å; G1051-K1054 WeakPolarHBondContact O-CB 3.38Å; G1051-K1054 PolarHBondContact O-N 3.26Å; Q1052-K1054 PolarHBondContact O-N 3.18Å; K1054-N1057 PolarHBondContact O-N 3.47Å; K1054-A1058 WeakPolarHBondContact O-CB 3.46Å; K1054-A1058 PolarHBondContact O-N 3.04Å
1055	Y	40.3	Very low	37.8	Very low	23 Å²	23	67.9 Å²	67.9	9%	0.09	36%	0.357	C	S	.	.	H	α-helix	trans	-64	-47.6	175.2	-179.2	-90.5	0	0	0	111.3	V269 E312 F339 G1051 Q1052 N1057 A1058 V1059	V269-Y1055 HydrophobicContact CG1-CD2 4.26Å; E312-Y1055 PolarHBondContact OE1-OH 3.02Å; F339-Y1055 AromaticContact CD1-CE1 3.89Å; F339-Y1055 HydrophobicContact CD1-CE1 3.89Å; F339-Y1055 HydrophobicContact CE1-CD1 4.06Å; F339-Y1055 AromaticContact CE1-CE1 3.27Å; F339-Y1055 HydrophobicContact CE1-CE1 3.27Å; F339-Y1055 AromaticContact CE1-CZ 3.78Å; F339-Y1055 HydrophobicContact CZ-CD1 4.21Å; F339-Y1055 AromaticContact CZ-CE1 3.8Å; F339-Y1055 HydrophobicContact CZ-CE1 3.8Å; G1051-Y1055 PolarHBondContact O-N 2.85Å; G1051-Y1055 VanDerWaalsContact O-N 3.08Å; Q1052-Y1055 PolarHBondContact O-N 3.23Å; Q1052-Y1055 VanDerWaalsContact O-N 3.1Å; Y1055-N1057 VanDerWaalsContact C-N 3.31Å; Y1055-N1057 PolarHBondContact O-N 2.78Å; Y1055-A1058 CarbonylContact O-C 3.59Å; Y1055-A1058 WeakPolarHBondContact O-CA 3.5Å; Y1055-A1058 WeakPolarHBondContact O-CB 3.3Å; Y1055-A1058 PolarHBondContact O-N 3.43Å; Y1055-V1059 HydrophobicContact CD1-CG2 3.9Å; Y1055-V1059 HydrophobicContact CE1-CG2 3.42Å; Y1055-V1059 VanDerWaalsContact CE1-CG2 3.42Å; Y1055-V1059 HydrophobicContact CE2-CG2 4.29Å; Y1055-V1059 WeakPolarHBondContact O-CG2 3.32Å; Y1055-V1059 PolarHBondContact O-N 3.45Å
1056	A	41.9	Very low	37.7	Very low	11 Å²	11	66.5 Å²	66.5	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-57.5	-41.2	176.1	0	0	0	0	0	112.9	E370 Q1052 R1060	E370-A1056 WeakPolarHBondContact OE2-CB 3.46Å; Q1052-A1056 PolarHBondContact O-N 3.15Å; A1056-R1060 PolarHBondContact O-N 2.69Å
1057	N	42.5	Very low	37.7	Very low	78 Å²	78	65.6 Å²	65.6	42%	0.417	35%	0.348	S	S	.	.	H	α-helix	trans	-66.9	-39.8	172.5	-81.9	-74.3	0	0	0	112.6	Q1053 K1054 Y1055 R1060 L1061	Q1053-N1057 WeakPolarHBondContact O-CB 3.24Å; Q1053-N1057 PolarHBondContact O-N 3.11Å; Q1053-N1057 VanDerWaalsContact O-N 3.13Å; Q1053-N1057 PolarHBondContact O-ND2 2.96Å; K1054-N1057 PolarHBondContact O-N 3.47Å; Y1055-N1057 VanDerWaalsContact C-N 3.31Å; Y1055-N1057 PolarHBondContact O-N 2.78Å; N1057-R1060 PolarHBondContact O-N 2.64Å; N1057-L1061 VanDerWaalsContact O-CB 3.27Å; N1057-L1061 WeakPolarHBondContact O-CB 3.47Å; N1057-L1061 WeakPolarHBondContact O-CG 3.13Å; N1057-L1061 PolarHBondContact O-N 3.33Å
1058	A	38.7	Very low	37.6	Very low	39 Å²	39	70.3 Å²	70.3	32%	0.322	36%	0.356	S	S	.	.	H	α-helix	trans	-64.9	-39.6	176.9	0	0	0	0	0	111.8	K1054 Y1055 L1061 R1062	K1054-A1058 WeakPolarHBondContact O-CB 3.46Å; K1054-A1058 PolarHBondContact O-N 3.04Å; Y1055-A1058 CarbonylContact O-C 3.59Å; Y1055-A1058 WeakPolarHBondContact O-CA 3.5Å; Y1055-A1058 WeakPolarHBondContact O-CB 3.3Å; Y1055-A1058 PolarHBondContact O-N 3.43Å; A1058-L1061 PolarHBondContact O-N 2.86Å; A1058-R1062 WeakPolarHBondContact O-CB 3.44Å; A1058-R1062 VanDerWaalsContact O-CG 3.26Å; A1058-R1062 WeakPolarHBondContact O-CG 3.04Å; A1058-R1062 PolarHBondContact O-N 2.87Å
1059	V	40.3	Very low	37.8	Very low	11 Å²	11	69.6 Å²	69.6	7%	0.067	35%	0.352	C	S	.	.	H	α-helix	trans	-59.6	-56.8	171.7	166.7	0	0	0	0	110.5	M315 L345 Y1055 L1061 R1062 T1063	M315-V1059 HydrophobicContact CE-CB 4.41Å; M315-V1059 HydrophobicContact CE-CG1 3.92Å; M315-V1059 HydrophobicContact CE-CG2 3.59Å; M315-V1059 HydrophobicContact CG-CG1 4.41Å; M315-V1059 HydrophobicContact SD-CB 4.36Å; M315-V1059 HydrophobicContact SD-CG1 3.71Å; M315-V1059 HydrophobicContact SD-CG2 3.99Å; L345-V1059 HydrophobicContact CD2-CG1 4.32Å; Y1055-V1059 HydrophobicContact CD1-CG2 3.9Å; Y1055-V1059 HydrophobicContact CE1-CG2 3.42Å; Y1055-V1059 VanDerWaalsContact CE1-CG2 3.42Å; Y1055-V1059 HydrophobicContact CE2-CG2 4.29Å; Y1055-V1059 WeakPolarHBondContact O-CG2 3.32Å; Y1055-V1059 PolarHBondContact O-N 3.45Å; V1059-L1061 PolarHBondContact O-N 2.69Å; V1059-R1062 CarbonylContact O-C 3.56Å; V1059-R1062 WeakPolarHBondContact O-CA 2.98Å; V1059-R1062 PolarHBondContact O-N 3.12Å; V1059-T1063 PolarHBondContact O-N 2.91Å; V1059-T1063 PolarHBondContact O-OG1 3Å; V1059-T1063 VanDerWaalsContact O-OG1 3.12Å
1060	R	42.8	Very low	38	Very low	52 Å²	52	64.6 Å²	64.6	20%	0.196	34%	0.338	C	S	.	.	H	α-helix	trans	-59	-36.1	179.5	-68.3	-169.5	-166.6	119.4	19.3	112.5	E340 E371 A1056 N1057 A1064	E340-R1060 IonicContact OE1-CZ 2.63Å; E340-R1060 VanDerWaalsContact OE1-CZ 3.32Å; E340-R1060 IonicContact OE1-NE 3.13Å; E340-R1060 PolarHBondContact OE1-NE 3.42Å; E340-R1060 VanDerWaalsContact OE1-NE 3.12Å; E340-R1060 IonicContact OE1-NH2 3.91Å; E340-R1060 PolarHBondContact OE1-NH2 2.85Å; E371-R1060 IonicContact OE1-CZ 2.67Å; E371-R1060 IonicContact OE1-NE 2.83Å; E371-R1060 IonicContact OE1-NH1 3.11Å; E371-R1060 PolarHBondContact OE1-NH1 3.44Å; A1056-R1060 PolarHBondContact O-N 2.69Å; N1057-R1060 PolarHBondContact O-N 2.64Å; R1060-A1064 WeakPolarHBondContact O-CB 2.99Å; R1060-A1064 PolarHBondContact O-N 2.87Å
1061	L	43.5	Very low	38.2	Very low	69 Å²	69	64.4 Å²	64.4	36%	0.361	33%	0.33	S	S	.	.	H	α-helix	trans	-70.1	-30.1	174	-72.4	173.4	0	0	0	113.9	P835 N1057 A1058 V1059 A1065	P835-L1061 HydrophobicContact CB-CD1 4.36Å; P835-L1061 HydrophobicContact CG-CD2 4.18Å; N1057-L1061 VanDerWaalsContact O-CB 3.27Å; N1057-L1061 WeakPolarHBondContact O-CB 3.47Å; N1057-L1061 WeakPolarHBondContact O-CG 3.13Å; N1057-L1061 PolarHBondContact O-N 3.33Å; A1058-L1061 PolarHBondContact O-N 2.86Å; V1059-L1061 PolarHBondContact O-N 2.69Å; L1061-A1065 VanDerWaalsContact O-CB 3.31Å; L1061-A1065 WeakPolarHBondContact O-CB 3.18Å; L1061-A1065 PolarHBondContact O-N 2.74Å
1062	R	39.3	Very low	38.5	Very low	114 Å²	114	67.1 Å²	67.1	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-76.2	-46.3	173.3	-76.9	173	177.5	-176.6	-1.1	111.2	A1058 V1059 A1064 A1065 S1066	A1058-R1062 WeakPolarHBondContact O-CB 3.44Å; A1058-R1062 VanDerWaalsContact O-CG 3.26Å; A1058-R1062 WeakPolarHBondContact O-CG 3.04Å; A1058-R1062 PolarHBondContact O-N 2.87Å; V1059-R1062 CarbonylContact O-C 3.56Å; V1059-R1062 WeakPolarHBondContact O-CA 2.98Å; V1059-R1062 PolarHBondContact O-N 3.12Å; R1062-A1064 PolarHBondContact O-N 2.74Å; R1062-A1065 CarbonylContact O-C 3.48Å; R1062-A1065 WeakPolarHBondContact O-CA 3Å; R1062-A1065 WeakPolarHBondContact O-CB 3.27Å; R1062-A1065 PolarHBondContact O-N 2.7Å; R1062-S1066 PolarHBondContact O-N 3.45Å
1063	T	36.9	Very low	38.5	Very low	17 Å²	17	69.2 Å²	69.2	10%	0.104	35%	0.349	C	S	.	.	H	α-helix	trans	-60	-47.7	175.3	-48.8	0	0	0	0	110.8	V1059 A1065 S1066 Q1067	V1059-T1063 PolarHBondContact O-N 2.91Å; V1059-T1063 PolarHBondContact O-OG1 3Å; V1059-T1063 VanDerWaalsContact O-OG1 3.12Å; T1063-A1065 PolarHBondContact O-N 2.85Å; T1063-A1065 VanDerWaalsContact O-N 3.11Å; T1063-S1066 PolarHBondContact O-N 3.24Å; T1063-Q1067 WeakPolarHBondContact O-CB 3.47Å; T1063-Q1067 WeakPolarHBondContact O-CG 3.43Å; T1063-Q1067 PolarHBondContact O-N 2.78Å
1064	A	36.4	Very low	38.5	Very low	32 Å²	32	67.8 Å²	67.8	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-70.1	-2.2	174.4	0	0	0	0	0	114.2	R1060 R1062 R1068	R1060-A1064 WeakPolarHBondContact O-CB 2.99Å; R1060-A1064 PolarHBondContact O-N 2.87Å; R1062-A1064 PolarHBondContact O-N 2.74Å; A1064-R1068 WeakPolarHBondContact O-CD 3.38Å; A1064-R1068 WeakPolarHBondContact O-CG 3.44Å; A1064-R1068 PolarHBondContact O-NE 2.72Å; A1064-R1068 VanDerWaalsContact O-NE 3.15Å
1065	A	34.9	Very low	38.3	Very low	60 Å²	60	63.6 Å²	63.6	50%	0.496	33%	0.329	S	S	.	.	H	α-helix	trans	-99.6	-35.4	168.5	0	0	0	0	0	112.3	L1061 R1062 T1063 Q1067 R1068	L1061-A1065 VanDerWaalsContact O-CB 3.31Å; L1061-A1065 WeakPolarHBondContact O-CB 3.18Å; L1061-A1065 PolarHBondContact O-N 2.74Å; R1062-A1065 CarbonylContact O-C 3.48Å; R1062-A1065 WeakPolarHBondContact O-CA 3Å; R1062-A1065 WeakPolarHBondContact O-CB 3.27Å; R1062-A1065 PolarHBondContact O-N 2.7Å; T1063-A1065 PolarHBondContact O-N 2.85Å; T1063-A1065 VanDerWaalsContact O-N 3.11Å; A1065-Q1067 VanDerWaalsContact C-N 3.33Å; A1065-R1068 PolarHBondContact O-N 3.1Å
1066	S	32.9	Very low	38.2	Very low	74 Å²	74	66.7 Å²	66.7	52%	0.517	35%	0.348	S	S	.	.	H	α-helix	trans	-67.2	-34.5	171.1	-172.3	0	0	0	0	111.8	D316 R1062 T1063 R1068	D316-S1066 WeakPolarHBondContact OD1-CB 3.45Å; D316-S1066 PolarHBondContact OD1-OG 3.38Å; R1062-S1066 PolarHBondContact O-N 3.45Å; T1063-S1066 PolarHBondContact O-N 3.24Å; S1066-R1068 VanDerWaalsContact C-N 3.25Å; S1066-R1068 PolarHBondContact O-N 2.79Å
1067	Q	34.7	Very low	37.9	Very low	91 Å²	91	71.3 Å²	71.3	43%	0.425	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-1.6	176.4	-72.1	176.2	-26.8	0	0	115.6	C348 T1063 A1065	C348-Q1067 PolarHBondContact O-NE2 2.85Å; C348-Q1067 VanDerWaalsContact O-NE2 3.13Å; T1063-Q1067 WeakPolarHBondContact O-CB 3.47Å; T1063-Q1067 WeakPolarHBondContact O-CG 3.43Å; T1063-Q1067 PolarHBondContact O-N 2.78Å; A1065-Q1067 VanDerWaalsContact C-N 3.33Å
1068	R	31.8	Very low	37.5	Very low	219 Å²	219	70.7 Å²	70.7	83%	0.826	37%	0.365	S	S	*	.			trans	-116.1	0	-167.5	-77.9	-174.9	-174.8	-173.3	0.4	115.8	A1064 A1065 S1066	A1064-R1068 WeakPolarHBondContact O-CD 3.38Å; A1064-R1068 WeakPolarHBondContact O-CG 3.44Å; A1064-R1068 PolarHBondContact O-NE 2.72Å; A1064-R1068 VanDerWaalsContact O-NE 3.15Å; A1065-R1068 PolarHBondContact O-N 3.1Å; S1066-R1068 VanDerWaalsContact C-N 3.25Å; S1066-R1068 PolarHBondContact O-N 2.79Å

Retrieved 1,068 of 1,068 residues in 239.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).