A0A087YIV0_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase 25

The muscle-specific isoform (USP25m) may have a role in the regulation of muscular differentiation and function.

AlphaFold DB , UniProt , Accession A0A087YIV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,166 aa.

						>A0A087YIV0_POEFO|A0A087YIV0
MTVEQNVLQQHSQKHQQTLLNQLREVTGTTDIQLLQQALQVSNGDVAEAVAFLTEKNSKVPQQDETTYYQTSQVASDRYISVGSQADTNVIDLTGDDKDDLQRAIALSLEESSRAFRETGITDEEQAISRVLEASIAENKASLKRTHTEVWSDSPNPHDRKRIDSCPVGLKNVGNTCWFSAVIQSLFNLLEFQRLVLNYSPPARVLDLPRNQKEHRNLPFMQELRNLFSLMVGSKRKYVDPSRAVEILKDAFKSSESQQQDVSEFTHKLLDWLEDAFQMKAEEDSVGEKPKNPMVELFYGRFLAVGVLEGKKFENTEMFGQYPLQVNGFKDLHECLEAAMVEGEIESLHSAENSARSGQEHWFTELPPVLTFELSRFEFNQALGRPEKIHNKLEFPSMLYMDRYMDRNREITRIKREEIRRLKEHLTVLQQRLERYLSYGSGPKRFPLADVLQYAMEFASSKPVCTSPVEDIDTSAPPGGTTGQQLPPPSSTAEPDSVPPQESSGPASAPAAAPPAAQQQRVPVHKPFTQSRLPPDLPMHPAPRHITEEELRVLEGCLHRWRSEVENDTRDLQGSITRIHRTIELMYTDKSMMQVPYRLHAVLVHEGQANAGHYWAYIYDPHQRCWMKYNDISVTKSSWEELVRDSFGGYRNASAYCLMYINDKKPFLIEEEFDKETGQILSGMDKLPPDLKQYVKEDNEQFDKEIEEWDAMQARKAQQEKLALAAAAASAAPSSTSTSTSSPQPMSIESSPPDNTVAQQDPEYLEQPSPTGDFKHLQEDTERAISRAAAEQEDRSPEVLLNASAPPPSTLQPEAQMSPAPPSDQVKEAEAPCQRTVEVAIPHVGTFVIESEEGGYDDEIMMTPNMQGIIMAIGKSSSIYEKNGPEAAFFKAIKLEYARLLRFAQEDTPPELDYRLHHVIVYFIQNEAPKKILERTLLTQFADRNLAFDERCKSIMQVARAKLDLIKPEEVNMDEYEMWHQDYRNFRETTVLMVTGLELFQKSNYVEALMYLIYSYQYNRELLLKGLYRGHDEELLGYHRRECLLKLNEQAAAMFESGEEPEVGTGLGIMNELVVPCIPLLLAQEAEKDLLAVEDMRNRWCSYLGQEMEANLQEKLTDFLPKLLDCSTEMKSFHDPPKLPSYSTLELCERFGRIVAAVGRAPGEGR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.7	Very low	51.7	Low	204 Å²	204	126.5 Å²	126.5	100%	1.005	65%	0.645	S	S	*	*				0	72.7	0	-61.5	-178.3	-66.4	0	0	107.7	Q5	M1-Q5 PolarHBondContact O-OE1 3.3Å
2	T	53.4	Low	52.5	Low	104 Å²	104	122.1 Å²	122.1	64%	0.638	63%	0.634	S	S	*	*			trans	-153.7	-3.4	-165	30.6	0	0	0	0	114.9	N6	T2-N6 PolarHBondContact O-ND2 3.11Å
3	V	49.1	Very low	53.5	Low	111 Å²	111	122.1 Å²	122.1	67%	0.673	63%	0.63	S	S	*	*	S	Bend	trans	-103.3	-56.8	176.9	-176.9	0	0	0	0	110.1	Q5 N6 V7	V3-Q5 VanDerWaalsContact C-N 3.29Å; V3-Q5 PolarHBondContact O-N 2.94Å; V3-N6 WeakPolarHBondContact O-CB 3.18Å; V3-N6 PolarHBondContact O-N 3.03Å; V3-V7 PolarHBondContact O-N 2.89Å; V3-V7 VanDerWaalsContact O-N 3.16Å
4	E	47.9	Very low	54.6	Low	155 Å²	155	124.9 Å²	124.9	72%	0.724	64%	0.635	S	S	*	*	H	α-helix	trans	-57.6	-38.7	178.6	-63.2	164.9	129.6	0	0	112.8	N6 V7 L8	E4-N6 VanDerWaalsContact C-N 3.34Å; E4-N6 PolarHBondContact O-N 2.7Å; E4-V7 PolarHBondContact O-N 3.31Å; E4-L8 WeakPolarHBondContact O-CB 3.41Å; E4-L8 WeakPolarHBondContact O-CG 3.43Å; E4-L8 PolarHBondContact O-N 3.03Å
5	Q	49.8	Very low	56	Low	130 Å²	130	124.9 Å²	124.9	61%	0.607	63%	0.631	S	S	*	*	H	α-helix	trans	-61.7	-38.1	174.8	-100.7	-179.8	-30.6	0	0	112.9	M1 V3 Q9	M1-Q5 PolarHBondContact O-OE1 3.3Å; V3-Q5 VanDerWaalsContact C-N 3.29Å; V3-Q5 PolarHBondContact O-N 2.94Å; Q5-Q9 VanDerWaalsContact O-CB 3.25Å; Q5-Q9 WeakPolarHBondContact O-CB 3.32Å; Q5-Q9 PolarHBondContact O-N 3.41Å
6	N	48.5	Very low	57.3	Low	94 Å²	94	122.8 Å²	122.8	50%	0.503	62%	0.618	S	S	.	*	H	α-helix	trans	-69.5	-38.9	176.9	-86.5	-60.4	0	0	0	111.7	T2 V3 E4 Q9 Q10	T2-N6 PolarHBondContact O-ND2 3.11Å; V3-N6 WeakPolarHBondContact O-CB 3.18Å; V3-N6 PolarHBondContact O-N 3.03Å; E4-N6 VanDerWaalsContact C-N 3.34Å; E4-N6 PolarHBondContact O-N 2.7Å; N6-Q9 PolarHBondContact O-N 3Å; N6-Q10 PolarHBondContact O-N 3.05Å
7	V	55.7	Low	58.5	Low	80 Å²	80	121.6 Å²	121.6	49%	0.485	61%	0.61	S	S	.	*	H	α-helix	trans	-65.3	-45.5	176.6	178.2	0	0	0	0	111	V3 E4 Q9 Q10 H11	V3-V7 PolarHBondContact O-N 2.89Å; V3-V7 VanDerWaalsContact O-N 3.16Å; E4-V7 PolarHBondContact O-N 3.31Å; V7-Q9 VanDerWaalsContact C-N 3.35Å; V7-Q9 PolarHBondContact O-N 2.69Å; V7-Q10 PolarHBondContact O-N 3.06Å; V7-H11 PolarHBondContact O-N 3.42Å
8	L	50.5	Low	59.9	Low	124 Å²	124	118.9 Å²	118.9	65%	0.649	60%	0.601	S	S	*	*	H	α-helix	trans	-62.2	-40.6	175.3	-75.2	165.2	0	0	0	112.1	E4 H11 S12	E4-L8 WeakPolarHBondContact O-CB 3.41Å; E4-L8 WeakPolarHBondContact O-CG 3.43Å; E4-L8 PolarHBondContact O-N 3.03Å; L8-H11 PolarHBondContact O-N 3.05Å; L8-S12 WeakPolarHBondContact O-CB 3.47Å; L8-S12 PolarHBondContact O-N 3.17Å
9	Q	51.1	Low	61.1	Low	119 Å²	119	113.8 Å²	113.8	56%	0.556	58%	0.575	S	S	*	*	H	α-helix	trans	-68.4	-39.1	178.9	-166	166.1	16.1	0	0	112.3	Q5 N6 V7 S12 Q13	Q5-Q9 VanDerWaalsContact O-CB 3.25Å; Q5-Q9 WeakPolarHBondContact O-CB 3.32Å; Q5-Q9 PolarHBondContact O-N 3.41Å; N6-Q9 PolarHBondContact O-N 3Å; V7-Q9 VanDerWaalsContact C-N 3.35Å; V7-Q9 PolarHBondContact O-N 2.69Å; Q9-S12 PolarHBondContact O-N 3.05Å; Q9-Q13 WeakPolarHBondContact O-CG 3.39Å; Q9-Q13 PolarHBondContact O-N 3.02Å
10	Q	55.5	Low	62.2	Low	137 Å²	137	108.6 Å²	108.6	64%	0.64	55%	0.549	S	S	*	.	H	α-helix	trans	-65.5	-40.5	172.3	-78.3	-169.5	-16.6	0	0	112.8	N6 V7 Q13 K14	N6-Q10 PolarHBondContact O-N 3.05Å; V7-Q10 PolarHBondContact O-N 3.06Å; Q10-Q13 PolarHBondContact O-N 3.49Å; Q10-K14 PolarHBondContact O-N 3.4Å
11	H	59.8	Low	63	Low	133 Å²	133	106.1 Å²	106.1	62%	0.616	54%	0.537	S	S	*	.	H	α-helix	trans	-63.4	-42.9	174.7	-97.5	-91.6	0	0	0	112.1	V7 L8 K14 H15	V7-H11 PolarHBondContact O-N 3.42Å; L8-H11 PolarHBondContact O-N 3.05Å; H11-K14 PolarHBondContact O-N 3.44Å; H11-H15 WeakPolarHBondContact O-CB 3.38Å; H11-H15 PolarHBondContact O-N 2.9Å
12	S	61.2	Low	64.5	Low	74 Å²	74	100.5 Å²	100.5	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-60.3	-46.8	175.8	-179.1	0	0	0	0	111.9	L8 Q9 H15 Q16	L8-S12 WeakPolarHBondContact O-CB 3.47Å; L8-S12 PolarHBondContact O-N 3.17Å; Q9-S12 PolarHBondContact O-N 3.05Å; S12-H15 PolarHBondContact O-N 2.66Å; S12-Q16 WeakPolarHBondContact O-CB 3.31Å; S12-Q16 PolarHBondContact O-N 3.44Å
13	Q	64.9	Low	65.6	Low	122 Å²	122	95.5 Å²	95.5	57%	0.57	48%	0.478	S	S	*	.	H	α-helix	trans	-63.8	-43.3	177.3	-75.7	-177.4	-30.2	0	0	112.9	Q9 Q10 H15 Q16 Q17	Q9-Q13 WeakPolarHBondContact O-CG 3.39Å; Q9-Q13 PolarHBondContact O-N 3.02Å; Q10-Q13 PolarHBondContact O-N 3.49Å; Q13-H15 PolarHBondContact O-N 2.98Å; Q13-Q16 PolarHBondContact O-N 3.17Å; Q13-Q17 WeakPolarHBondContact O-CB 3.12Å; Q13-Q17 PolarHBondContact O-N 2.81Å
14	K	69.6	Low	67.2	Low	162 Å²	162	95.6 Å²	95.6	70%	0.704	47%	0.466	S	S	*	.	H	α-helix	trans	-59.9	-45.7	174.2	-91.4	-170.6	171.3	-175.7	0	111.8	Q10 H11 Q17 T18	Q10-K14 PolarHBondContact O-N 3.4Å; H11-K14 PolarHBondContact O-N 3.44Å; K14-Q17 PolarHBondContact O-N 3.29Å; K14-T18 PolarHBondContact O-N 2.88Å; K14-T18 PolarHBondContact O-OG1 3.34Å
15	H	74.8	Confident	68.5	Low	124 Å²	124	96 Å²	96	57%	0.574	47%	0.468	S	S	*	.	H	α-helix	trans	-63.1	-46	-179.4	-172.2	51.9	0	0	0	111.8	H11 S12 Q13 Q17 T18 L19	H11-H15 WeakPolarHBondContact O-CB 3.38Å; H11-H15 PolarHBondContact O-N 2.9Å; S12-H15 PolarHBondContact O-N 2.66Å; Q13-H15 PolarHBondContact O-N 2.98Å; H15-Q17 VanDerWaalsContact C-N 3.31Å; H15-Q17 PolarHBondContact O-N 2.64Å; H15-T18 PolarHBondContact O-N 3.37Å; H15-L19 WeakPolarHBondContact O-CG 3.33Å; H15-L19 PolarHBondContact O-N 3.42Å; H15-L19 VanDerWaalsContact O-N 3.08Å
16	Q	76.6	Confident	69.8	Low	91 Å²	91	94.5 Å²	94.5	43%	0.425	47%	0.468	S	S	.	.	H	α-helix	trans	-61.1	-38.9	175.7	-167.7	178.1	11	0	0	112.2	S12 Q13 L19 L20 L39	S12-Q16 WeakPolarHBondContact O-CB 3.31Å; S12-Q16 PolarHBondContact O-N 3.44Å; Q13-Q16 PolarHBondContact O-N 3.17Å; Q16-L19 PolarHBondContact O-N 2.91Å; Q16-L20 HydrophobicContact CG-CD1 4.4Å; Q16-L20 WeakPolarHBondContact O-CG 3.42Å; Q16-L20 PolarHBondContact O-N 3.09Å; Q16-L39 HydrophobicContact CG-CD2 4.11Å
17	Q	79.1	Confident	71.1	Confident	104 Å²	104	91.7 Å²	91.7	49%	0.486	45%	0.454	S	S	.	.	H	α-helix	trans	-67.1	-35.6	177.5	-168.5	61.4	68.2	0	0	112.8	Q13 K14 H15 N21	Q13-Q17 WeakPolarHBondContact O-CB 3.12Å; Q13-Q17 PolarHBondContact O-N 2.81Å; K14-Q17 PolarHBondContact O-N 3.29Å; H15-Q17 VanDerWaalsContact C-N 3.31Å; H15-Q17 PolarHBondContact O-N 2.64Å; Q17-N21 PolarHBondContact O-N 3.49Å; Q17-N21 VanDerWaalsContact O-N 3.11Å; Q17-N21 PolarHBondContact O-ND2 3.33Å
18	T	83.1	Confident	72	Confident	72 Å²	72	90.6 Å²	90.6	44%	0.442	46%	0.459	S	S	.	.	H	α-helix	trans	-64.5	-47.5	172.8	-59.7	0	0	0	0	111.3	K14 H15 L20 N21 Q22	K14-T18 PolarHBondContact O-N 2.88Å; K14-T18 PolarHBondContact O-OG1 3.34Å; H15-T18 PolarHBondContact O-N 3.37Å; T18-L20 VanDerWaalsContact C-N 3.33Å; T18-L20 PolarHBondContact O-N 3.17Å; T18-N21 PolarHBondContact O-N 2.87Å; T18-N21 VanDerWaalsContact O-N 3.14Å; T18-Q22 WeakPolarHBondContact O-CG 3.28Å; T18-Q22 PolarHBondContact O-N 2.85Å
19	L	81.9	Confident	73.1	Confident	22 Å²	22	86.4 Å²	86.4	12%	0.115	44%	0.438	C	S	.	.	H	α-helix	trans	-61	-39.7	179.1	-65.8	167	0	0	0	112.1	H15 Q16 Q22 L23 L39 V46	H15-L19 WeakPolarHBondContact O-CG 3.33Å; H15-L19 PolarHBondContact O-N 3.42Å; H15-L19 VanDerWaalsContact O-N 3.08Å; Q16-L19 PolarHBondContact O-N 2.91Å; L19-Q22 PolarHBondContact O-N 3.14Å; L19-L23 WeakPolarHBondContact O-CG 3.4Å; L19-L23 PolarHBondContact O-N 3.26Å; L19-L39 HydrophobicContact CB-CD1 4.09Å; L19-L39 HydrophobicContact CB-CD2 3.88Å; L19-L39 HydrophobicContact CD1-CD1 4.39Å; L19-L39 HydrophobicContact CD1-CD2 4.45Å; L19-V46 HydrophobicContact CD2-CG2 3.55Å
20	L	83.2	Confident	74.3	Confident	9 Å²	9	86.7 Å²	86.7	5%	0.047	45%	0.448	C	S	.	.	H	α-helix	trans	-67.4	-35.6	174.9	-70.1	170.9	0	0	0	113.1	Q16 T18 R24 L35 Q36 L39	Q16-L20 HydrophobicContact CG-CD1 4.4Å; Q16-L20 WeakPolarHBondContact O-CG 3.42Å; Q16-L20 PolarHBondContact O-N 3.09Å; T18-L20 VanDerWaalsContact C-N 3.33Å; T18-L20 PolarHBondContact O-N 3.17Å; L20-R24 PolarHBondContact O-N 2.6Å; L20-L35 HydrophobicContact CD2-CB 3.94Å; L20-Q36 HydrophobicContact CD1-CG 3.7Å; L20-Q36 HydrophobicContact CD2-CB 4.47Å; L20-Q36 HydrophobicContact CD2-CG 3.74Å; L20-Q36 HydrophobicContact CG-CG 4.4Å; L20-L39 HydrophobicContact CD2-CB 4.46Å; L20-L39 HydrophobicContact CD2-CD2 4.01Å; L20-L39 HydrophobicContact CG-CD2 4.08Å
21	N	80.6	Confident	75.6	Confident	57 Å²	57	84.1 Å²	84.1	31%	0.305	44%	0.439	S	S	.	.	H	α-helix	trans	-66.7	-44.5	173.7	-76.7	-27.6	0	0	0	111.1	Q17 T18 L23 R24 E25	Q17-N21 PolarHBondContact O-N 3.49Å; Q17-N21 VanDerWaalsContact O-N 3.11Å; Q17-N21 PolarHBondContact O-ND2 3.33Å; T18-N21 PolarHBondContact O-N 2.87Å; T18-N21 VanDerWaalsContact O-N 3.14Å; N21-L23 PolarHBondContact O-N 2.99Å; N21-R24 WeakPolarHBondContact O-CB 3.43Å; N21-R24 PolarHBondContact O-N 3.27Å; N21-R24 VanDerWaalsContact OD1-CZ 3.31Å; N21-R24 PolarHBondContact OD1-NH1 2.81Å; N21-R24 PolarHBondContact OD1-NH2 3.19Å; N21-E25 WeakPolarHBondContact O-CB 3.33Å; N21-E25 PolarHBondContact O-N 3.03Å
22	Q	77.3	Confident	76.6	Confident	86 Å²	86	82.7 Å²	82.7	40%	0.402	44%	0.435	S	S	.	.	H	α-helix	trans	-61.8	-42	176.1	-72.1	174.5	-36.6	0	0	112	T18 L19 R24 E25 V26	T18-Q22 WeakPolarHBondContact O-CG 3.28Å; T18-Q22 PolarHBondContact O-N 2.85Å; L19-Q22 PolarHBondContact O-N 3.14Å; Q22-R24 PolarHBondContact O-N 3.29Å; Q22-E25 PolarHBondContact O-N 2.94Å; Q22-V26 WeakPolarHBondContact O-CB 3.34Å; Q22-V26 WeakPolarHBondContact O-CG2 3.26Å; Q22-V26 PolarHBondContact O-N 3.29Å
23	L	78	Confident	77.5	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	45%	0.445	C	S	.	.	H	α-helix	trans	-65	-37.4	174.9	-78.2	171.7	0	0	0	113.1	L19 N21 E25 T27 L35 L39 V46 A49 V50	L19-L23 WeakPolarHBondContact O-CG 3.4Å; L19-L23 PolarHBondContact O-N 3.26Å; N21-L23 PolarHBondContact O-N 2.99Å; L23-E25 VanDerWaalsContact C-N 3.34Å; L23-T27 WeakPolarHBondContact O-CB 3.39Å; L23-T27 WeakPolarHBondContact O-CG2 3.46Å; L23-T27 PolarHBondContact O-N 2.76Å; L23-T27 PolarHBondContact O-OG1 3Å; L23-L35 HydrophobicContact CB-CD2 3.99Å; L23-L39 HydrophobicContact CD1-CB 4Å; L23-L39 HydrophobicContact CD1-CD1 3.88Å; L23-L39 HydrophobicContact CD1-CG 4.43Å; L23-V46 HydrophobicContact CD2-CG1 3.85Å; L23-V46 HydrophobicContact CG-CG1 4.25Å; L23-A49 HydrophobicContact CD1-CB 3.84Å; L23-A49 HydrophobicContact CD2-CB 3.77Å; L23-A49 HydrophobicContact CG-CB 4.46Å; L23-V50 HydrophobicContact CD2-CG2 3.67Å
24	R	81.4	Confident	78.4	Confident	112 Å²	112	83.8 Å²	83.8	42%	0.423	43%	0.434	S	S	.	.	H	α-helix	trans	-63.2	-42	172.6	-178.1	178.6	70.8	-118.5	-8.8	111.4	L20 N21 Q22 G28 T29 L35	L20-R24 PolarHBondContact O-N 2.6Å; N21-R24 WeakPolarHBondContact O-CB 3.43Å; N21-R24 PolarHBondContact O-N 3.27Å; N21-R24 VanDerWaalsContact OD1-CZ 3.31Å; N21-R24 PolarHBondContact OD1-NH1 2.81Å; N21-R24 PolarHBondContact OD1-NH2 3.19Å; Q22-R24 PolarHBondContact O-N 3.29Å; R24-G28 VanDerWaalsContact O-CA 3.24Å; R24-G28 WeakPolarHBondContact O-CA 3.36Å; R24-G28 PolarHBondContact O-N 3.13Å; R24-T29 WeakPolarHBondContact CG-O 3.42Å; R24-L35 HydrophobicContact CB-CD1 3.8Å
25	E	75.8	Confident	79	Confident	163 Å²	163	76.2 Å²	76.2	76%	0.762	40%	0.401	S	S	*	.	H	α-helix	trans	-70.1	-40.4	-178.2	-170.3	164	-149	0	0	112.3	N21 Q22 L23	N21-E25 WeakPolarHBondContact O-CB 3.33Å; N21-E25 PolarHBondContact O-N 3.03Å; Q22-E25 PolarHBondContact O-N 2.94Å; L23-E25 VanDerWaalsContact C-N 3.34Å
26	V	77.9	Confident	79.4	Confident	99 Å²	99	74.3 Å²	74.3	60%	0.6	39%	0.392	S	S	*	.	H	α-helix	trans	-78.6	-31.9	179	174	0	0	0	0	113.2	Q22 V50	Q22-V26 WeakPolarHBondContact O-CB 3.34Å; Q22-V26 WeakPolarHBondContact O-CG2 3.26Å; Q22-V26 PolarHBondContact O-N 3.29Å; V26-V50 HydrophobicContact CB-CG2 4.48Å; V26-V50 HydrophobicContact CG1-CG1 4.43Å; V26-V50 HydrophobicContact CG1-CG2 3.78Å
27	T	75.5	Confident	79.7	Confident	36 Å²	36	74.5 Å²	74.5	22%	0.221	39%	0.393	C	S	.	.	H	α-helix	trans	-104.3	-12.2	-177	70.2	0	0	0	0	115.1	L23 T29 V50 L53	L23-T27 WeakPolarHBondContact O-CB 3.39Å; L23-T27 WeakPolarHBondContact O-CG2 3.46Å; L23-T27 PolarHBondContact O-N 2.76Å; L23-T27 PolarHBondContact O-OG1 3Å; T27-T29 PolarHBondContact O-N 2.72Å; T27-T29 VanDerWaalsContact O-N 3.14Å; T27-T29 WeakPolarHBondContact OG1-CB 3.36Å; T27-T29 PolarHBondContact OG1-N 3.1Å; T27-T29 PolarHBondContact OG1-OG1 3.26Å; T27-V50 HydrophobicContact CG2-CB 4.48Å; T27-V50 HydrophobicContact CG2-CG1 4.37Å; T27-V50 HydrophobicContact CG2-CG2 3.96Å; T27-L53 HydrophobicContact CG2-CB 4.48Å; T27-L53 HydrophobicContact CG2-CD1 3.91Å
28	G	73.8	Confident	79.8	Confident	57 Å²	57	69.6 Å²	69.6	59%	0.588	37%	0.37	S	S	*	.			trans	68.9	-2.2	-170.9	0	0	0	0	0	115.2	R24 T30	R24-G28 VanDerWaalsContact O-CA 3.24Å; R24-G28 WeakPolarHBondContact O-CA 3.36Å; R24-G28 PolarHBondContact O-N 3.13Å; G28-T30 PolarHBondContact O-N 3.42Å
29	T	73.7	Confident	79.9	Confident	35 Å²	35	66.6 Å²	66.6	22%	0.215	35%	0.351	C	S	.	.			trans	-72	120.2	-172.2	-53.7	0	0	0	0	111.6	R24 T27 D31 L34 L35	R24-T29 WeakPolarHBondContact CG-O 3.42Å; T27-T29 PolarHBondContact O-N 2.72Å; T27-T29 VanDerWaalsContact O-N 3.14Å; T27-T29 WeakPolarHBondContact OG1-CB 3.36Å; T27-T29 PolarHBondContact OG1-N 3.1Å; T27-T29 PolarHBondContact OG1-OG1 3.26Å; T29-D31 HydrophobicContact CG2-CB 4.43Å; T29-L34 HydrophobicContact CG2-CD2 4.24Å; T29-L35 HydrophobicContact CG2-CD2 4.2Å; T29-L35 HydrophobicContact CG2-CG 4.32Å; T29-L35 WeakPolarHBondContact O-CD1 3.35Å
30	T	77.4	Confident	79.8	Confident	125 Å²	125	73 Å²	73	77%	0.767	38%	0.381	S	S	*	.			trans	-88.2	-13.8	-179	51	0	0	0	0	114.7	G28 I32	G28-T30 PolarHBondContact O-N 3.42Å; T30-I32 PolarHBondContact O-N 3.31Å
31	D	82.9	Confident	79.6	Confident	83 Å²	83	76.8 Å²	76.8	44%	0.444	40%	0.404	S	S	.	.			trans	-76.4	106.3	177.5	-175.1	-10.1	0	0	0	111.9	T29 Q33 L34 L35	T29-D31 HydrophobicContact CG2-CB 4.43Å; D31-Q33 VanDerWaalsContact C-N 3.31Å; D31-Q33 PolarHBondContact O-N 2.77Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.42Å; D31-Q33 PolarHBondContact OD1-N 3.12Å; D31-L34 HydrophobicContact CB-CB 3.99Å; D31-L34 PolarHBondContact O-N 3.47Å; D31-L34 PolarHBondContact OD1-N 3.47Å; D31-L35 WeakPolarHBondContact O-CG 3.18Å; D31-L35 PolarHBondContact O-N 3.21Å
32	I	79.4	Confident	79.7	Confident	103 Å²	103	74.5 Å²	74.5	53%	0.528	39%	0.392	S	S	.	.	H	α-helix	trans	-64.8	-31.7	179.9	-58.6	175.4	0	0	0	112	T30 Q36	T30-I32 PolarHBondContact O-N 3.31Å; I32-Q36 HydrophobicContact CG2-CG 4.42Å; I32-Q36 WeakPolarHBondContact O-CB 3.43Å; I32-Q36 VanDerWaalsContact O-CG 3.25Å; I32-Q36 WeakPolarHBondContact O-CG 3.43Å; I32-Q36 PolarHBondContact O-N 3.09Å
33	Q	81	Confident	79.7	Confident	154 Å²	154	78 Å²	78	72%	0.72	41%	0.414	S	S	*	.	H	α-helix	trans	-72.7	-40.8	178.8	-63.4	-168	9.3	0	0	111.1	D31 Q36 Q37	D31-Q33 VanDerWaalsContact C-N 3.31Å; D31-Q33 PolarHBondContact O-N 2.77Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.42Å; D31-Q33 PolarHBondContact OD1-N 3.12Å; Q33-Q36 PolarHBondContact O-N 2.73Å; Q33-Q37 WeakPolarHBondContact O-CB 3.41Å; Q33-Q37 PolarHBondContact O-N 3.16Å
34	L	83	Confident	79.2	Confident	65 Å²	65	79.7 Å²	79.7	34%	0.34	43%	0.431	S	S	.	.	H	α-helix	trans	-65.2	-42	175.7	-167.4	69.1	0	0	0	111.6	T29 D31 Q37 A38 L53	T29-L34 HydrophobicContact CG2-CD2 4.24Å; D31-L34 HydrophobicContact CB-CB 3.99Å; D31-L34 PolarHBondContact O-N 3.47Å; D31-L34 PolarHBondContact OD1-N 3.47Å; L34-Q37 PolarHBondContact O-N 3.26Å; L34-A38 PolarHBondContact O-N 2.93Å; L34-L53 HydrophobicContact CD2-CD2 4.03Å; L34-L53 HydrophobicContact CG-CD2 3.86Å
35	L	83.4	Confident	79.1	Confident	4 Å²	4	78.2 Å²	78.2	2%	0.021	43%	0.432	C	S	.	.	H	α-helix	trans	-62.5	-42	173.7	-71.3	-174.6	0	0	0	112.7	L20 L23 R24 T29 D31 A38 L39 L53	L20-L35 HydrophobicContact CD2-CB 3.94Å; L23-L35 HydrophobicContact CB-CD2 3.99Å; R24-L35 HydrophobicContact CB-CD1 3.8Å; T29-L35 HydrophobicContact CG2-CD2 4.2Å; T29-L35 HydrophobicContact CG2-CG 4.32Å; T29-L35 WeakPolarHBondContact O-CD1 3.35Å; D31-L35 WeakPolarHBondContact O-CG 3.18Å; D31-L35 PolarHBondContact O-N 3.21Å; L35-A38 PolarHBondContact O-N 3.38Å; L35-L39 WeakPolarHBondContact O-CB 3.26Å; L35-L39 PolarHBondContact O-N 3.13Å; L35-L53 HydrophobicContact CD2-CD1 3.56Å; L35-L53 HydrophobicContact CD2-CD2 4.49Å
36	Q	82.9	Confident	79.2	Confident	84 Å²	84	72.4 Å²	72.4	39%	0.393	41%	0.407	S	S	.	.	H	α-helix	trans	-65	-40.6	175.2	-78.3	176.5	-1.7	0	0	112	L20 I32 Q33 Q40	L20-Q36 HydrophobicContact CD1-CG 3.7Å; L20-Q36 HydrophobicContact CD2-CB 4.47Å; L20-Q36 HydrophobicContact CD2-CG 3.74Å; L20-Q36 HydrophobicContact CG-CG 4.4Å; I32-Q36 HydrophobicContact CG2-CG 4.42Å; I32-Q36 WeakPolarHBondContact O-CB 3.43Å; I32-Q36 VanDerWaalsContact O-CG 3.25Å; I32-Q36 WeakPolarHBondContact O-CG 3.43Å; I32-Q36 PolarHBondContact O-N 3.09Å; Q33-Q36 PolarHBondContact O-N 2.73Å; Q36-Q40 WeakPolarHBondContact O-CB 3.45Å; Q36-Q40 PolarHBondContact O-N 2.99Å
37	Q	82.5	Confident	79.1	Confident	95 Å²	95	71 Å²	71	44%	0.444	41%	0.406	S	S	.	.	H	α-helix	trans	-64.1	-42.7	175.4	-174.9	176.6	76.7	0	0	111.6	Q33 L34 Q40 V41	Q33-Q37 WeakPolarHBondContact O-CB 3.41Å; Q33-Q37 PolarHBondContact O-N 3.16Å; L34-Q37 PolarHBondContact O-N 3.26Å; Q37-Q40 PolarHBondContact O-N 3.42Å; Q37-V41 HydrophobicContact CG-CG2 4.39Å; Q37-V41 WeakPolarHBondContact O-CB 3.3Å; Q37-V41 VanDerWaalsContact O-CG2 3.31Å; Q37-V41 WeakPolarHBondContact O-CG2 3.36Å; Q37-V41 PolarHBondContact O-N 3.49Å
38	A	81.9	Confident	79.2	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-61.4	-51.4	176.4	0	0	0	0	0	111.8	L34 L35 Q40 V41 S42 A49 F52 L53	L34-A38 PolarHBondContact O-N 2.93Å; L35-A38 PolarHBondContact O-N 3.38Å; A38-Q40 PolarHBondContact O-N 3.47Å; A38-V41 PolarHBondContact O-N 3.08Å; A38-S42 WeakPolarHBondContact O-CB 3.4Å; A38-S42 PolarHBondContact O-N 2.96Å; A38-S42 PolarHBondContact O-OG 3.16Å; A38-A49 HydrophobicContact CB-CB 4.27Å; A38-F52 HydrophobicContact CB-CD1 3.85Å; A38-F52 HydrophobicContact CB-CE1 4.44Å; A38-L53 HydrophobicContact CB-CD1 3.86Å; A38-L53 HydrophobicContact CB-CD2 3.83Å; A38-L53 HydrophobicContact CB-CG 3.63Å
39	L	83.4	Confident	79.5	Confident	9 Å²	9	72.4 Å²	72.4	5%	0.047	40%	0.395	C	S	.	.	H	α-helix	trans	-61	-31.4	178.2	-170.3	69.3	0	0	0	112.5	Q16 L19 L20 L23 L35 N43 G44	Q16-L39 HydrophobicContact CG-CD2 4.11Å; L19-L39 HydrophobicContact CB-CD1 4.09Å; L19-L39 HydrophobicContact CB-CD2 3.88Å; L19-L39 HydrophobicContact CD1-CD1 4.39Å; L19-L39 HydrophobicContact CD1-CD2 4.45Å; L20-L39 HydrophobicContact CD2-CB 4.46Å; L20-L39 HydrophobicContact CD2-CD2 4.01Å; L20-L39 HydrophobicContact CG-CD2 4.08Å; L23-L39 HydrophobicContact CD1-CB 4Å; L23-L39 HydrophobicContact CD1-CD1 3.88Å; L23-L39 HydrophobicContact CD1-CG 4.43Å; L35-L39 WeakPolarHBondContact O-CB 3.26Å; L35-L39 PolarHBondContact O-N 3.13Å; L39-N43 PolarHBondContact O-N 2.68Å; L39-G44 PolarHBondContact O-N 2.72Å
40	Q	79.8	Confident	79.8	Confident	157 Å²	157	72.3 Å²	72.3	73%	0.734	39%	0.394	S	S	*	.	H	α-helix	trans	-78.7	-33.8	177.5	-171.5	172	42.7	0	0	113.4	Q36 Q37 A38	Q36-Q40 WeakPolarHBondContact O-CB 3.45Å; Q36-Q40 PolarHBondContact O-N 2.99Å; Q37-Q40 PolarHBondContact O-N 3.42Å; A38-Q40 PolarHBondContact O-N 3.47Å
41	V	80.8	Confident	79.9	Confident	89 Å²	89	68.5 Å²	68.5	54%	0.539	38%	0.376	S	S	.	.	H	α-helix	trans	-72.7	-42.5	174.2	169.4	0	0	0	0	110.8	Q37 A38 N43 F52	Q37-V41 HydrophobicContact CG-CG2 4.39Å; Q37-V41 WeakPolarHBondContact O-CB 3.3Å; Q37-V41 VanDerWaalsContact O-CG2 3.31Å; Q37-V41 WeakPolarHBondContact O-CG2 3.36Å; Q37-V41 PolarHBondContact O-N 3.49Å; A38-V41 PolarHBondContact O-N 3.08Å; V41-N43 PolarHBondContact O-N 2.94Å; V41-F52 HydrophobicContact CB-CE2 4.45Å; V41-F52 HydrophobicContact CB-CZ 4.34Å; V41-F52 HydrophobicContact CG1-CD2 4.09Å; V41-F52 HydrophobicContact CG1-CE2 3.8Å; V41-F52 HydrophobicContact CG1-CZ 4.16Å; V41-F52 HydrophobicContact CG2-CZ 4.16Å
42	S	81.4	Confident	79.6	Confident	8 Å²	8	67 Å²	67	6%	0.056	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	12.4	175.3	-59.9	0	0	0	0	113.7	A38 G44 D45 E48 A49	A38-S42 WeakPolarHBondContact O-CB 3.4Å; A38-S42 PolarHBondContact O-N 2.96Å; A38-S42 PolarHBondContact O-OG 3.16Å; S42-G44 PolarHBondContact O-N 3.1Å; S42-D45 PolarHBondContact O-N 3.32Å; S42-E48 WeakPolarHBondContact OG-CB 3.43Å; S42-E48 PolarHBondContact OG-O 3.32Å; S42-A49 WeakPolarHBondContact OG-CA 3.42Å; S42-A49 PolarHBondContact OG-N 3.36Å; S42-A49 VanDerWaalsContact OG-N 3.13Å
43	N	76.9	Confident	79.6	Confident	161 Å²	161	62.7 Å²	62.7	86%	0.861	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	25.3	168.9	-140.1	16	0	0	0	115.5	L39 V41	L39-N43 PolarHBondContact O-N 2.68Å; V41-N43 PolarHBondContact O-N 2.94Å
44	G	67.8	Low	79	Confident	34 Å²	34	59.4 Å²	59.4	35%	0.351	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.5	-8.8	-176.7	0	0	0	0	0	116.3	L39 S42	L39-G44 PolarHBondContact O-N 2.72Å; S42-G44 PolarHBondContact O-N 3.1Å
45	D	79.1	Confident	77.9	Confident	82 Å²	82	62.6 Å²	62.6	44%	0.439	35%	0.347	S	S	.	.			trans	-78.4	125.3	176.1	-166.4	-62.1	0	0	0	111.3	S42 A47 E48 A49	S42-D45 PolarHBondContact O-N 3.32Å; D45-A47 WeakPolarHBondContact OD1-CA 3.45Å; D45-A47 WeakPolarHBondContact OD1-CB 3.15Å; D45-A47 PolarHBondContact OD1-N 2.93Å; D45-E48 HydrophobicContact CB-CB 4.34Å; D45-E48 PolarHBondContact OD1-N 2.85Å; D45-A49 VanDerWaalsContact O-CB 3.27Å; D45-A49 WeakPolarHBondContact O-CB 3.12Å; D45-A49 PolarHBondContact O-N 3.4Å; D45-A49 VanDerWaalsContact O-N 3.13Å
46	V	77.6	Confident	76.3	Confident	40 Å²	40	68.1 Å²	68.1	24%	0.242	37%	0.371	C	S	.	.	H	α-helix	trans	-74.1	-35.3	-177.4	-178.8	0	0	0	0	111.7	L19 L23 A49 V50	L19-V46 HydrophobicContact CD2-CG2 3.55Å; L23-V46 HydrophobicContact CD2-CG1 3.85Å; L23-V46 HydrophobicContact CG-CG1 4.25Å; V46-A49 PolarHBondContact O-N 2.79Å; V46-V50 HydrophobicContact CG1-CG2 4.48Å; V46-V50 VanDerWaalsContact O-CG2 3.29Å; V46-V50 WeakPolarHBondContact O-CG2 3.33Å; V46-V50 PolarHBondContact O-N 2.94Å
47	A	77.6	Confident	74.3	Confident	71 Å²	71	71.1 Å²	71.1	59%	0.587	39%	0.39	S	S	*	.	H	α-helix	trans	-70.9	-43.2	-178.4	0	0	0	0	0	111.1	D45 A49 V50 A51	D45-A47 WeakPolarHBondContact OD1-CA 3.45Å; D45-A47 WeakPolarHBondContact OD1-CB 3.15Å; D45-A47 PolarHBondContact OD1-N 2.93Å; A47-A49 VanDerWaalsContact C-N 3.35Å; A47-V50 PolarHBondContact O-N 3.43Å; A47-A51 PolarHBondContact O-N 3.36Å
48	E	76.3	Confident	71.9	Confident	121 Å²	121	70.4 Å²	70.4	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-65.6	-36.6	171.9	-73.4	-164	167.5	0	0	112.1	S42 D45 A51 F52	S42-E48 WeakPolarHBondContact OG-CB 3.43Å; S42-E48 PolarHBondContact OG-O 3.32Å; D45-E48 HydrophobicContact CB-CB 4.34Å; D45-E48 PolarHBondContact OD1-N 2.85Å; E48-A51 WeakPolarHBondContact O-CB 3.45Å; E48-A51 PolarHBondContact O-N 2.81Å; E48-F52 WeakPolarHBondContact O-CB 3.47Å; E48-F52 PolarHBondContact O-N 3.01Å
49	A	80.1	Confident	69.3	Low	0 Å²	0	78.4 Å²	78.4	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-67.1	-38.5	177.8	0	0	0	0	0	112.3	L23 A38 S42 D45 V46 A47 F52 L53	L23-A49 HydrophobicContact CD1-CB 3.84Å; L23-A49 HydrophobicContact CD2-CB 3.77Å; L23-A49 HydrophobicContact CG-CB 4.46Å; A38-A49 HydrophobicContact CB-CB 4.27Å; S42-A49 WeakPolarHBondContact OG-CA 3.42Å; S42-A49 PolarHBondContact OG-N 3.36Å; S42-A49 VanDerWaalsContact OG-N 3.13Å; D45-A49 VanDerWaalsContact O-CB 3.27Å; D45-A49 WeakPolarHBondContact O-CB 3.12Å; D45-A49 PolarHBondContact O-N 3.4Å; D45-A49 VanDerWaalsContact O-N 3.13Å; V46-A49 PolarHBondContact O-N 2.79Å; A47-A49 VanDerWaalsContact C-N 3.35Å; A49-F52 PolarHBondContact O-N 3.4Å; A49-L53 WeakPolarHBondContact O-CB 3.28Å; A49-L53 WeakPolarHBondContact O-CD1 3.32Å; A49-L53 VanDerWaalsContact O-CG 3.27Å; A49-L53 WeakPolarHBondContact O-CG 3.5Å; A49-L53 PolarHBondContact O-N 3.34Å
50	V	81.4	Confident	66.6	Low	34 Å²	34	84.6 Å²	84.6	21%	0.206	47%	0.467	C	S	.	.	H	α-helix	trans	-63.4	-41.9	170.7	172.1	0	0	0	0	110.8	L23 V26 T27 V46 A47 L53 T54	L23-V50 HydrophobicContact CD2-CG2 3.67Å; V26-V50 HydrophobicContact CB-CG2 4.48Å; V26-V50 HydrophobicContact CG1-CG1 4.43Å; V26-V50 HydrophobicContact CG1-CG2 3.78Å; T27-V50 HydrophobicContact CG2-CB 4.48Å; T27-V50 HydrophobicContact CG2-CG1 4.37Å; T27-V50 HydrophobicContact CG2-CG2 3.96Å; V46-V50 HydrophobicContact CG1-CG2 4.48Å; V46-V50 VanDerWaalsContact O-CG2 3.29Å; V46-V50 WeakPolarHBondContact O-CG2 3.33Å; V46-V50 PolarHBondContact O-N 2.94Å; A47-V50 PolarHBondContact O-N 3.43Å; V50-L53 PolarHBondContact O-N 3.25Å; V50-T54 HydrophobicContact CG1-CG2 4.44Å; V50-T54 WeakPolarHBondContact O-CB 3.5Å; V50-T54 WeakPolarHBondContact O-CG2 3.24Å; V50-T54 PolarHBondContact O-N 3.47Å; V50-T54 PolarHBondContact O-OG1 3.49Å
51	A	77.8	Confident	64.2	Low	45 Å²	45	82.7 Å²	82.7	37%	0.372	47%	0.469	S	S	.	.	H	α-helix	trans	-61.8	-45.7	176.3	0	0	0	0	0	111.7	A47 E48 L53 T54 E55	A47-A51 PolarHBondContact O-N 3.36Å; E48-A51 WeakPolarHBondContact O-CB 3.45Å; E48-A51 PolarHBondContact O-N 2.81Å; A51-L53 VanDerWaalsContact C-N 3.35Å; A51-L53 PolarHBondContact O-N 3.33Å; A51-T54 WeakPolarHBondContact CA-OG1 3.45Å; A51-T54 PolarHBondContact O-N 3.38Å; A51-T54 PolarHBondContact O-OG1 3.3Å; A51-E55 WeakPolarHBondContact O-CB 3.45Å; A51-E55 PolarHBondContact O-N 2.76Å
52	F	78.2	Confident	61.6	Low	51 Å²	51	87.3 Å²	87.3	22%	0.224	48%	0.484	C	S	.	.	H	α-helix	trans	-61.9	-39.3	178	-176.6	-98.5	0	0	0	113	A38 V41 E48 A49 K56	A38-F52 HydrophobicContact CB-CD1 3.85Å; A38-F52 HydrophobicContact CB-CE1 4.44Å; V41-F52 HydrophobicContact CB-CE2 4.45Å; V41-F52 HydrophobicContact CB-CZ 4.34Å; V41-F52 HydrophobicContact CG1-CD2 4.09Å; V41-F52 HydrophobicContact CG1-CE2 3.8Å; V41-F52 HydrophobicContact CG1-CZ 4.16Å; V41-F52 HydrophobicContact CG2-CZ 4.16Å; E48-F52 WeakPolarHBondContact O-CB 3.47Å; E48-F52 PolarHBondContact O-N 3.01Å; A49-F52 PolarHBondContact O-N 3.4Å; F52-K56 HydrophobicContact CE1-CD 4.16Å; F52-K56 HydrophobicContact CZ-CD 4.17Å; F52-K56 VanDerWaalsContact CZ-NZ 3.31Å; F52-K56 PolarHBondContact O-N 3.41Å
53	L	78.4	Confident	59	Low	13 Å²	13	95.1 Å²	95.1	7%	0.068	52%	0.52	C	S	.	.	H	α-helix	trans	-71.4	-32.7	176.6	-71.2	165	0	0	0	112.8	T27 L34 L35 A38 A49 V50 A51	T27-L53 HydrophobicContact CG2-CB 4.48Å; T27-L53 HydrophobicContact CG2-CD1 3.91Å; L34-L53 HydrophobicContact CD2-CD2 4.03Å; L34-L53 HydrophobicContact CG-CD2 3.86Å; L35-L53 HydrophobicContact CD2-CD1 3.56Å; L35-L53 HydrophobicContact CD2-CD2 4.49Å; A38-L53 HydrophobicContact CB-CD1 3.86Å; A38-L53 HydrophobicContact CB-CD2 3.83Å; A38-L53 HydrophobicContact CB-CG 3.63Å; A49-L53 WeakPolarHBondContact O-CB 3.28Å; A49-L53 WeakPolarHBondContact O-CD1 3.32Å; A49-L53 VanDerWaalsContact O-CG 3.27Å; A49-L53 WeakPolarHBondContact O-CG 3.5Å; A49-L53 PolarHBondContact O-N 3.34Å; V50-L53 PolarHBondContact O-N 3.25Å; A51-L53 VanDerWaalsContact C-N 3.35Å; A51-L53 PolarHBondContact O-N 3.33Å
54	T	68.4	Low	56.4	Low	84 Å²	84	94.1 Å²	94.1	52%	0.515	52%	0.515	S	S	.	.	H	α-helix	trans	-85.3	-39.3	-179.6	50	0	0	0	0	113.1	V50 A51 K56 N57	V50-T54 HydrophobicContact CG1-CG2 4.44Å; V50-T54 WeakPolarHBondContact O-CB 3.5Å; V50-T54 WeakPolarHBondContact O-CG2 3.24Å; V50-T54 PolarHBondContact O-N 3.47Å; V50-T54 PolarHBondContact O-OG1 3.49Å; A51-T54 WeakPolarHBondContact CA-OG1 3.45Å; A51-T54 PolarHBondContact O-N 3.38Å; A51-T54 PolarHBondContact O-OG1 3.3Å; T54-K56 PolarHBondContact O-N 2.76Å; T54-N57 PolarHBondContact O-N 2.96Å
55	E	60.3	Low	54.4	Low	133 Å²	133	100.5 Å²	100.5	62%	0.621	54%	0.536	S	S	*	.	H	α-helix	trans	-63.5	-38.3	175.5	-78.1	-155.4	127	0	0	112.8	A51 N57 S58	A51-E55 WeakPolarHBondContact O-CB 3.45Å; A51-E55 PolarHBondContact O-N 2.76Å; E55-N57 PolarHBondContact O-N 3.41Å; E55-S58 WeakPolarHBondContact O-CB 3.45Å; E55-S58 PolarHBondContact O-N 3.16Å; E55-S58 PolarHBondContact O-OG 2.83Å
56	K	48.7	Very low	51.8	Low	119 Å²	119	101.9 Å²	101.9	52%	0.517	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-64.2	-24.7	-177	-93.6	-173.9	171.6	-177.1	0	114.2	F52 T54 S58	F52-K56 HydrophobicContact CE1-CD 4.16Å; F52-K56 HydrophobicContact CZ-CD 4.17Å; F52-K56 VanDerWaalsContact CZ-NZ 3.31Å; F52-K56 PolarHBondContact O-N 3.41Å; T54-K56 PolarHBondContact O-N 2.76Å; K56-S58 PolarHBondContact O-N 3.43Å
57	N	42.8	Very low	49.4	Very low	148 Å²	148	105.2 Å²	105.2	79%	0.791	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-82	4.2	175.6	-71.7	-24.1	0	0	0	113.6	T54 E55	T54-N57 PolarHBondContact O-N 2.96Å; E55-N57 PolarHBondContact O-N 3.41Å
58	S	31.4	Very low	46.8	Very low	80 Å²	80	110.4 Å²	110.4	56%	0.559	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-104.8	3.8	-172.7	73.9	0	0	0	0	116.3	E55 K56	E55-S58 WeakPolarHBondContact O-CB 3.45Å; E55-S58 PolarHBondContact O-N 3.16Å; E55-S58 PolarHBondContact O-OG 2.83Å; K56-S58 PolarHBondContact O-N 3.43Å
59	K	27.1	Very low	44.3	Very low	168 Å²	168	112.6 Å²	112.6	73%	0.73	58%	0.578	S	S	*	*			trans	-131	92	-173.2	-69.3	-179.1	-176.7	165.7	0	114.3
60	V	27.7	Very low	41.5	Very low	138 Å²	138	119.9 Å²	119.9	84%	0.836	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-81.7	128.3	154	177.1	0	0	0	0	108.3
61	P	28.1	Very low	38.7	Very low	118 Å²	118	123.9 Å²	123.9	77%	0.766	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-71.4	138.7	170.7	-16.8	31.6	0	0	0	111.8
62	Q	26.2	Very low	36.1	Very low	185 Å²	185	126.5 Å²	126.5	86%	0.864	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-81.3	154.6	167.3	-60.8	173.1	-75.8	0	0	110.8
63	Q	26	Very low	33.4	Very low	172 Å²	172	132.2 Å²	132.2	80%	0.804	68%	0.679	S	S	*	*			trans	150.9	142.8	143.4	-83.8	-168.5	-86.8	0	0	109.5
64	D	23.6	Very low	30.7	Very low	141 Å²	141	137.7 Å²	137.7	75%	0.754	71%	0.713	S	S	*	*			cis	-132.1	162.2	3.5	-98.8	-41.3	0	0	0	112.5
65	E	24.8	Very low	28.4	Very low	168 Å²	168	137.7 Å²	137.7	79%	0.785	72%	0.722	S	S	*	*			trans	-106.7	147.2	176.9	-173.8	-174.1	-120.4	0	0	110.1
66	T	25.5	Very low	26.6	Very low	110 Å²	110	136.1 Å²	136.1	68%	0.675	73%	0.725	S	S	*	*				151.3	134.3	128.3	50	0	0	0	0	117.2
67	T	26.2	Very low	25.3	Very low	110 Å²	110	135.9 Å²	135.9	68%	0.675	73%	0.729	S	S	*	*			trans	78.1	109.7	139.2	49	0	0	0	0	124.9
68	Y	23.5	Very low	24.4	Very low	181 Å²	181	138.2 Å²	138.2	71%	0.71	73%	0.727	S	S	*	*				116.1	133.2	110	-98.2	-51.5	0	0	0	122.3
69	Y	23.3	Very low	23.9	Very low	167 Å²	167	143.3 Å²	143.3	66%	0.655	74%	0.735	S	S	*	*			trans	76.4	87.4	152.7	-69.5	-59.8	0	0	0	122.9
70	Q	22.1	Very low	23.7	Very low	152 Å²	152	141.9 Å²	141.9	71%	0.71	74%	0.735	S	S	*	*				64.8	145.2	101.9	-168.2	173.3	-1.9	0	0	122.3
71	T	22.4	Very low	23.5	Very low	119 Å²	119	140 Å²	140	73%	0.73	73%	0.728	S	S	*	*			trans	69.7	143.4	167.8	26.1	0	0	0	0	116.7
72	S	22.6	Very low	23.3	Very low	99 Å²	99	140.6 Å²	140.6	69%	0.692	73%	0.729	S	S	*	*			cis	-146.1	138.6	7.4	-86.2	0	0	0	0	109.6
73	Q	21.9	Very low	23.1	Very low	171 Å²	171	135.3 Å²	135.3	80%	0.799	72%	0.724	S	S	*	*				77	121.8	73.5	-94.6	-165.1	3.4	0	0	118
74	V	21.7	Very low	23	Very low	128 Å²	128	131.7 Å²	131.7	78%	0.776	72%	0.717	S	S	*	*			trans	97.1	130.4	132.7	170.7	0	0	0	0	122.8
75	A	21.2	Very low	23.1	Very low	85 Å²	85	133.9 Å²	133.9	70%	0.702	72%	0.723	S	S	*	*			trans	73.9	110.4	148.9	0	0	0	0	0	125
76	S	21.9	Very low	23.3	Very low	100 Å²	100	130 Å²	130	70%	0.699	72%	0.719	S	S	*	*				63.4	144	98.5	-124.4	0	0	0	0	125.1
77	D	21.2	Very low	23.5	Very low	113 Å²	113	131.5 Å²	131.5	60%	0.604	72%	0.724	S	S	*	*			trans	81.6	110.8	137.9	-80.8	-59.5	0	0	0	124.2
78	R	23.3	Very low	23.8	Very low	198 Å²	198	131 Å²	131	75%	0.747	72%	0.72	S	S	*	*				75.4	126.4	119.4	-81.1	175.5	174.8	168.1	-3	124.6
79	Y	22.6	Very low	24.2	Very low	186 Å²	186	129.6 Å²	129.6	73%	0.729	73%	0.725	S	S	*	*				98	132.1	119.6	-94.1	-30.6	0	0	0	123.4
80	I	23	Very low	24.7	Very low	139 Å²	139	128.1 Å²	128.1	71%	0.713	73%	0.733	S	S	*	*			trans	71	145.4	138	-72.3	165.4	0	0	0	119.6
81	S	23.3	Very low	25.5	Very low	99 Å²	99	129.1 Å²	129.1	69%	0.692	74%	0.742	S	S	*	*			cis	-178.1	-178.4	-30	-166	0	0	0	0	109.8
82	V	22.4	Very low	26.2	Very low	130 Å²	130	128.4 Å²	128.4	79%	0.788	73%	0.733	S	S	*	*			trans	81.6	99.6	156.4	-158.2	0	0	0	0	121
83	G	22.2	Very low	26.8	Very low	74 Å²	74	131.4 Å²	131.4	76%	0.763	74%	0.741	S	S	*	*				72	167.8	123.1	0	0	0	0	0	121.3
84	S	24.7	Very low	27.5	Very low	95 Å²	95	129.2 Å²	129.2	66%	0.664	74%	0.739	S	S	*	*			cis	-171.5	132.8	-13.3	177.2	0	0	0	0	110.9
85	Q	24.4	Very low	27.9	Very low	188 Å²	188	125.3 Å²	125.3	88%	0.879	73%	0.725	S	S	*	*			trans	59.3	158.3	163.8	-67.9	160.9	-23	0	0	116.5
86	A	29.5	Very low	29	Very low	85 Å²	85	128.4 Å²	128.4	70%	0.702	73%	0.73	S	S	*	*			cis	-163.3	170.8	-25.1	0	0	0	0	0	104.9
87	D	29.6	Very low	29.7	Very low	143 Å²	143	130.3 Å²	130.3	77%	0.765	73%	0.732	S	S	*	*			cis	-158.3	-173.7	8.2	-131.3	-37.4	0	0	0	105.9
88	T	32.3	Very low	30.8	Very low	99 Å²	99	132.3 Å²	132.3	61%	0.607	74%	0.735	S	S	*	*			cis	-158	175.9	10	-10.1	0	0	0	0	109.5
89	N	32.5	Very low	32	Very low	151 Å²	151	127.9 Å²	127.9	81%	0.807	73%	0.726	S	S	*	*			trans	66.4	53.3	152.7	-64.5	-15.8	0	0	0	119.1
90	V	34.1	Very low	33.1	Very low	136 Å²	136	124 Å²	124	82%	0.824	72%	0.718	S	S	*	*			trans	-117.1	135.3	141.3	178.9	0	0	0	0	106.1
91	I	38.8	Very low	34.3	Very low	174 Å²	174	122.9 Å²	122.9	89%	0.892	71%	0.713	S	S	*	*			trans	-84.8	121.4	177.2	-60.9	-178	0	0	0	108.2
92	D	37.2	Very low	35.5	Very low	103 Å²	103	124 Å²	124	55%	0.551	71%	0.707	S	S	*	*			trans	-107.8	158.4	-171.7	-176	21.3	0	0	0	110.5	T94	D92-T94 WeakPolarHBondContact OD2-CB 3.34Å; D92-T94 VanDerWaalsContact OD2-CG2 3.24Å; D92-T94 WeakPolarHBondContact OD2-CG2 3.48Å; D92-T94 PolarHBondContact OD2-OG1 2.96Å
93	L	35.7	Very low	36.8	Very low	163 Å²	163	124.6 Å²	124.6	85%	0.853	70%	0.695	S	S	*	*	S	Bend	trans	-111.3	42.3	174.3	-74.3	174.7	0	0	0	111.5	G95	L93-G95 VanDerWaalsContact C-N 3.27Å
94	T	35.4	Very low	37.9	Very low	124 Å²	124	123.6 Å²	123.6	76%	0.761	68%	0.68	S	S	*	*			trans	-91.3	15.1	157.2	57.5	0	0	0	0	112.3	D92	D92-T94 WeakPolarHBondContact OD2-CB 3.34Å; D92-T94 VanDerWaalsContact OD2-CG2 3.24Å; D92-T94 WeakPolarHBondContact OD2-CG2 3.48Å; D92-T94 PolarHBondContact OD2-OG1 2.96Å
95	G	30.4	Very low	39.1	Very low	46 Å²	46	123 Å²	123	47%	0.474	67%	0.669	S	S	.	*	S	Bend	trans	-96.4	137.1	174.1	0	0	0	0	0	112.8	L93 D97	L93-G95 VanDerWaalsContact C-N 3.27Å; G95-D97 PolarHBondContact O-N 3.27Å
96	D	45.5	Very low	40.3	Very low	151 Å²	151	116.6 Å²	116.6	81%	0.807	65%	0.647	S	S	*	*			trans	-81.7	36.1	-175.9	-159.9	12.1	0	0	0	113.2	K98	D96-K98 PolarHBondContact O-N 2.57Å
97	D	36.4	Very low	41	Very low	139 Å²	139	118 Å²	118	74%	0.743	64%	0.643	S	S	*	*			trans	-91.5	89.1	-178.9	-81.6	-41.9	0	0	0	110.7	G95 D99	G95-D97 PolarHBondContact O-N 3.27Å; D97-D99 PolarHBondContact O-N 3.38Å
98	K	43.3	Very low	41.6	Very low	155 Å²	155	115 Å²	115	67%	0.674	63%	0.632	S	S	*	*	H	α-helix	trans	-52.3	-29.9	-179.3	-72.3	177.4	175.8	172.8	0	114.5	D96 D100 L101 Q102	D96-K98 PolarHBondContact O-N 2.57Å; K98-D100 PolarHBondContact O-N 2.67Å; K98-L101 PolarHBondContact O-N 2.72Å; K98-Q102 WeakPolarHBondContact O-CB 3.17Å; K98-Q102 PolarHBondContact O-N 3.3Å
99	D	49.6	Very low	42.2	Very low	105 Å²	105	115.2 Å²	115.2	56%	0.561	63%	0.63	S	S	*	*	H	α-helix	trans	-59.4	-38.8	-166.9	-99	22.9	0	0	0	115.3	D97 Q102 R103	D97-D99 PolarHBondContact O-N 3.38Å; D99-Q102 WeakPolarHBondContact O-CB 3.46Å; D99-Q102 PolarHBondContact O-N 3.03Å; D99-R103 VanDerWaalsContact O-CG 3.32Å; D99-R103 WeakPolarHBondContact O-CG 3.29Å; D99-R103 PolarHBondContact O-N 3.45Å
100	D	44.8	Very low	42.7	Very low	104 Å²	104	112.8 Å²	112.8	56%	0.556	61%	0.613	S	S	*	*	H	α-helix	trans	-79.7	-28.4	-176.7	-84.6	-26.7	0	0	0	112.9	K98 R103 A104	K98-D100 PolarHBondContact O-N 2.67Å; D100-R103 WeakPolarHBondContact OD1-CD 3.34Å; D100-R103 IonicContact OD1-CZ 3Å; D100-R103 IonicContact OD1-NE 3.75Å; D100-R103 IonicContact OD1-NH1 3.21Å; D100-R103 PolarHBondContact OD1-NH1 3.46Å; D100-A104 PolarHBondContact O-N 3.15Å; D100-A104 VanDerWaalsContact O-N 3.16Å
101	L	47.8	Very low	43	Very low	117 Å²	117	113.8 Å²	113.8	61%	0.613	61%	0.609	S	S	*	*	H	α-helix	trans	-69.8	-41.3	165.9	-175.6	61	0	0	0	110.6	K98 R103 A104 I105	K98-L101 PolarHBondContact O-N 2.72Å; L101-R103 VanDerWaalsContact C-N 3.28Å; L101-R103 PolarHBondContact O-N 2.93Å; L101-A104 PolarHBondContact O-N 2.84Å; L101-I105 HydrophobicContact CD1-CD1 4.14Å; L101-I105 HydrophobicContact CD1-CG1 4.47Å; L101-I105 HydrophobicContact CG-CD1 3.95Å; L101-I105 WeakPolarHBondContact O-CG1 3.37Å; L101-I105 PolarHBondContact O-N 2.94Å
102	Q	49.2	Very low	43.1	Very low	121 Å²	121	109.1 Å²	109.1	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-57.4	-40.7	174.2	-139.8	77.6	-1.6	0	0	111.4	K98 D99 A106	K98-Q102 WeakPolarHBondContact O-CB 3.17Å; K98-Q102 PolarHBondContact O-N 3.3Å; D99-Q102 WeakPolarHBondContact O-CB 3.46Å; D99-Q102 PolarHBondContact O-N 3.03Å; Q102-A106 WeakPolarHBondContact O-CB 3.38Å; Q102-A106 PolarHBondContact O-N 3.34Å
103	R	49.8	Very low	43.1	Very low	143 Å²	143	107.1 Å²	107.1	54%	0.54	59%	0.586	S	S	.	*	H	α-helix	trans	-65.3	-44	175.2	-76.7	170.6	-170.6	155.7	7.9	113	D99 D100 L101 I105 A106 L107	D99-R103 VanDerWaalsContact O-CG 3.32Å; D99-R103 WeakPolarHBondContact O-CG 3.29Å; D99-R103 PolarHBondContact O-N 3.45Å; D100-R103 WeakPolarHBondContact OD1-CD 3.34Å; D100-R103 IonicContact OD1-CZ 3Å; D100-R103 IonicContact OD1-NE 3.75Å; D100-R103 IonicContact OD1-NH1 3.21Å; D100-R103 PolarHBondContact OD1-NH1 3.46Å; L101-R103 VanDerWaalsContact C-N 3.28Å; L101-R103 PolarHBondContact O-N 2.93Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-I105 PolarHBondContact O-N 3.37Å; R103-A106 PolarHBondContact O-N 3.04Å; R103-L107 WeakPolarHBondContact O-CB 3.31Å; R103-L107 WeakPolarHBondContact O-CG 3.46Å; R103-L107 PolarHBondContact O-N 3.44Å
104	A	46	Very low	43.2	Very low	53 Å²	53	106.8 Å²	106.8	44%	0.438	57%	0.573	S	S	.	*	H	α-helix	trans	-62	-40.6	177.9	0	0	0	0	0	111.8	D100 L101 S108	D100-A104 PolarHBondContact O-N 3.15Å; D100-A104 VanDerWaalsContact O-N 3.16Å; L101-A104 PolarHBondContact O-N 2.84Å; A104-S108 PolarHBondContact O-N 2.94Å; A104-S108 PolarHBondContact O-OG 3.34Å
105	I	48.5	Very low	43.3	Very low	84 Å²	84	104.5 Å²	104.5	43%	0.431	57%	0.567	S	S	.	*	H	α-helix	trans	-72	-44.5	177.4	-66.3	171.1	0	0	0	111.2	L101 R103 L107 S108 L109	L101-I105 HydrophobicContact CD1-CD1 4.14Å; L101-I105 HydrophobicContact CD1-CG1 4.47Å; L101-I105 HydrophobicContact CG-CD1 3.95Å; L101-I105 WeakPolarHBondContact O-CG1 3.37Å; L101-I105 PolarHBondContact O-N 2.94Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-I105 PolarHBondContact O-N 3.37Å; I105-L107 PolarHBondContact O-N 3.48Å; I105-S108 PolarHBondContact O-N 3.27Å; I105-L109 HydrophobicContact CG2-CD1 3.76Å; I105-L109 HydrophobicContact CG2-CG 4.34Å; I105-L109 WeakPolarHBondContact O-CG 3.32Å; I105-L109 PolarHBondContact O-N 3.01Å
106	A	49	Very low	43.5	Very low	52 Å²	52	111.2 Å²	111.2	43%	0.43	58%	0.583	S	S	.	*	H	α-helix	trans	-61.7	-39.8	179.4	0	0	0	0	0	112.9	Q102 R103 L109 E110	Q102-A106 WeakPolarHBondContact O-CB 3.38Å; Q102-A106 PolarHBondContact O-N 3.34Å; R103-A106 PolarHBondContact O-N 3.04Å; A106-L109 PolarHBondContact O-N 3.47Å; A106-E110 PolarHBondContact O-N 3.05Å
107	L	45	Very low	43.1	Very low	116 Å²	116	114.9 Å²	114.9	61%	0.607	59%	0.586	S	S	*	*	H	α-helix	trans	-64.9	-38.8	175.5	-72.6	167.8	0	0	0	112	R103 I105 E111	R103-L107 WeakPolarHBondContact O-CB 3.31Å; R103-L107 WeakPolarHBondContact O-CG 3.46Å; R103-L107 PolarHBondContact O-N 3.44Å; I105-L107 PolarHBondContact O-N 3.48Å; L107-E111 PolarHBondContact O-N 2.88Å
108	S	42.1	Very low	43.1	Very low	78 Å²	78	116.9 Å²	116.9	55%	0.545	59%	0.591	S	S	.	*	H	α-helix	trans	-67	-37.7	174	-60.8	0	0	0	0	112.4	A104 I105 E111 S112	A104-S108 PolarHBondContact O-N 2.94Å; A104-S108 PolarHBondContact O-OG 3.34Å; I105-S108 PolarHBondContact O-N 3.27Å; S108-E111 PolarHBondContact O-N 3.28Å; S108-S112 WeakPolarHBondContact O-CB 3.35Å; S108-S112 PolarHBondContact O-N 3.4Å
109	L	44.8	Very low	42.8	Very low	105 Å²	105	115.2 Å²	115.2	55%	0.55	59%	0.594	S	S	.	*	H	α-helix	trans	-73.6	-33.5	178.7	-72.7	171.7	0	0	0	113	I105 A106 S113	I105-L109 HydrophobicContact CG2-CD1 3.76Å; I105-L109 HydrophobicContact CG2-CG 4.34Å; I105-L109 WeakPolarHBondContact O-CG 3.32Å; I105-L109 PolarHBondContact O-N 3.01Å; A106-L109 PolarHBondContact O-N 3.47Å; L109-S113 VanDerWaalsContact O-CB 3.23Å; L109-S113 WeakPolarHBondContact O-CB 3.41Å; L109-S113 PolarHBondContact O-N 3.23Å; L109-S113 PolarHBondContact O-OG 3.4Å
110	E	43.3	Very low	42.2	Very low	99 Å²	99	113.9 Å²	113.9	46%	0.463	61%	0.605	S	S	.	*	H	α-helix	trans	-64.4	-39	169.5	-88.8	-138.1	101.1	0	0	112.2	A106 S113 R114	A106-E110 PolarHBondContact O-N 3.05Å; E110-S113 PolarHBondContact O-OG 3.46Å; E110-R114 VanDerWaalsContact O-CG 3.27Å; E110-R114 WeakPolarHBondContact O-CG 3.45Å; E110-R114 PolarHBondContact O-N 2.75Å; E110-R114 IonicContact OE1-CZ 2.68Å; E110-R114 IonicContact OE1-NE 2.94Å; E110-R114 IonicContact OE1-NH2 3.83Å; E110-R114 PolarHBondContact OE1-NH2 3.16Å; E110-R114 IonicContact OE2-NH2 3.27Å; E110-R114 PolarHBondContact OE2-NH2 2.88Å; E110-R114 VanDerWaalsContact OE2-NH2 3.15Å
111	E	41.2	Very low	41.7	Very low	157 Å²	157	114.9 Å²	114.9	73%	0.734	61%	0.609	S	S	*	*	H	α-helix	trans	-71.7	-41.8	-180	-160.6	156.4	-122.5	0	0	111.4	L107 S108	L107-E111 PolarHBondContact O-N 2.88Å; S108-E111 PolarHBondContact O-N 3.28Å
112	S	39.7	Very low	41.9	Very low	77 Å²	77	112.7 Å²	112.7	54%	0.538	60%	0.601	S	S	.	*	H	α-helix	trans	-61.7	-49	172.2	178.6	0	0	0	0	113	S108 R114 A115 F116	S108-S112 WeakPolarHBondContact O-CB 3.35Å; S108-S112 PolarHBondContact O-N 3.4Å; S112-R114 VanDerWaalsContact C-N 3.29Å; S112-R114 PolarHBondContact O-N 3.14Å; S112-A115 WeakPolarHBondContact O-CB 3.34Å; S112-A115 PolarHBondContact O-N 3.35Å; S112-F116 PolarHBondContact O-N 3.39Å
113	S	38.1	Very low	41.5	Very low	60 Å²	60	113.5 Å²	113.5	42%	0.42	61%	0.609	S	S	.	*	H	α-helix	trans	-72.6	-17.8	-175.8	59.9	0	0	0	0	114.4	L109 E110	L109-S113 VanDerWaalsContact O-CB 3.23Å; L109-S113 WeakPolarHBondContact O-CB 3.41Å; L109-S113 PolarHBondContact O-N 3.23Å; L109-S113 PolarHBondContact O-OG 3.4Å; E110-S113 PolarHBondContact O-OG 3.46Å
114	R	38.2	Very low	41.1	Very low	157 Å²	157	113.7 Å²	113.7	59%	0.592	62%	0.616	S	S	*	*	H	α-helix	trans	-73.5	-40.4	169	-74.8	173.8	-168	169.2	9.4	112	E110 S112 F116 R117	E110-R114 VanDerWaalsContact O-CG 3.27Å; E110-R114 WeakPolarHBondContact O-CG 3.45Å; E110-R114 PolarHBondContact O-N 2.75Å; E110-R114 IonicContact OE1-CZ 2.68Å; E110-R114 IonicContact OE1-NE 2.94Å; E110-R114 IonicContact OE1-NH2 3.83Å; E110-R114 PolarHBondContact OE1-NH2 3.16Å; E110-R114 IonicContact OE2-NH2 3.27Å; E110-R114 PolarHBondContact OE2-NH2 2.88Å; E110-R114 VanDerWaalsContact OE2-NH2 3.15Å; S112-R114 VanDerWaalsContact C-N 3.29Å; S112-R114 PolarHBondContact O-N 3.14Å; R114-F116 PolarHBondContact O-N 3.36Å; R114-R117 PolarHBondContact O-N 2.94Å
115	A	36.8	Very low	41	Very low	76 Å²	76	116.5 Å²	116.5	63%	0.628	62%	0.62	S	S	*	*	H	α-helix	trans	-60.5	-32.7	173.4	0	0	0	0	0	112.3	S112 R117	S112-A115 WeakPolarHBondContact O-CB 3.34Å; S112-A115 PolarHBondContact O-N 3.35Å; A115-R117 VanDerWaalsContact C-N 3.29Å; A115-R117 PolarHBondContact O-N 3.37Å
116	F	34.9	Very low	40.8	Very low	186 Å²	186	117.3 Å²	117.3	82%	0.816	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	0.2	-178.6	-152.6	-98.1	0	0	0	115.3	S112 R114	S112-F116 PolarHBondContact O-N 3.39Å; R114-F116 PolarHBondContact O-N 3.36Å
117	R	37.1	Very low	40.6	Very low	228 Å²	228	117 Å²	117	86%	0.86	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-4.6	-178.6	-75.6	-165.4	-178.7	-147.8	2.2	115.8	R114 A115	R114-R117 PolarHBondContact O-N 2.94Å; A115-R117 VanDerWaalsContact C-N 3.29Å; A115-R117 PolarHBondContact O-N 3.37Å
118	E	36.7	Very low	40.6	Very low	182 Å²	182	117 Å²	117	85%	0.85	62%	0.619	S	S	*	*	S	Bend	trans	-111.1	2.5	-169.3	-129.7	169.1	-155.6	0	0	115.6
119	T	37.3	Very low	40.6	Very low	119 Å²	119	116.6 Å²	116.6	73%	0.73	62%	0.616	S	S	*	*	S	Bend	trans	-126	120.8	170	52.4	0	0	0	0	111.1
120	G	35.5	Very low	40.8	Very low	77 Å²	77	118.8 Å²	118.8	79%	0.794	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-74.6	140.8	178.3	0	0	0	0	0	112.9
121	I	34.4	Very low	40.9	Very low	126 Å²	126	119 Å²	119	65%	0.646	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-62.2	138.3	179.2	-57.7	165.9	0	0	0	110.3	E125 Q126	I121-E125 HydrophobicContact CG2-CB 4.44Å; I121-Q126 HydrophobicContact CG2-CG 4.2Å
122	T	53.1	Low	40.7	Very low	71 Å²	71	116.6 Å²	116.6	44%	0.436	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-94.1	157.1	175.7	60.7	0	0	0	0	112.1	E124 E125	T122-E124 PolarHBondContact O-N 2.9Å; T122-E124 VanDerWaalsContact O-N 3.1Å; T122-E125 PolarHBondContact O-N 3.01Å
123	D	40	Very low	40.7	Very low	137 Å²	137	119.4 Å²	119.4	73%	0.733	62%	0.621	S	S	*	*	H	α-helix	trans	-59.9	-22.9	-179.3	-66.4	-52.6	0	0	0	113.5	A127	D123-A127 PolarHBondContact O-N 3.24Å; D123-A127 VanDerWaalsContact O-N 3.12Å
124	E	42.2	Very low	40.8	Very low	147 Å²	147	119.3 Å²	119.3	69%	0.687	62%	0.623	S	S	*	*	H	α-helix	trans	-70.5	-40.7	-177.4	-62.4	176.7	151.4	0	0	112	T122 A127 I128	T122-E124 PolarHBondContact O-N 2.9Å; T122-E124 VanDerWaalsContact O-N 3.1Å; E124-A127 WeakPolarHBondContact O-CB 3.37Å; E124-A127 PolarHBondContact O-N 3.3Å; E124-A127 VanDerWaalsContact O-N 3.14Å; E124-I128 WeakPolarHBondContact O-CG1 3.31Å; E124-I128 PolarHBondContact O-N 3.37Å; E124-I128 VanDerWaalsContact O-N 3.07Å
125	E	42.3	Very low	40.6	Very low	113 Å²	113	114.2 Å²	114.2	53%	0.528	61%	0.612	S	S	.	*	H	α-helix	trans	-69.1	-38	176.9	-64.4	-176.2	131.4	0	0	111.3	I121 T122 A127 I128 S129	I121-E125 HydrophobicContact CG2-CB 4.44Å; T122-E125 PolarHBondContact O-N 3.01Å; E125-A127 PolarHBondContact O-N 3.17Å; E125-I128 PolarHBondContact O-N 2.86Å; E125-S129 PolarHBondContact O-N 3.09Å; E125-S129 VanDerWaalsContact O-N 3.09Å; E125-S129 PolarHBondContact O-OG 3.28Å
126	Q	45.8	Very low	40.7	Very low	101 Å²	101	115.2 Å²	115.2	47%	0.472	61%	0.606	S	S	.	*	H	α-helix	trans	-67.8	-18.9	172	-65.9	-165.9	6.6	0	0	113.5	I121 R130	I121-Q126 HydrophobicContact CG2-CG 4.2Å; Q126-R130 PolarHBondContact O-NE 3.49Å; Q126-R130 PolarHBondContact O-NH2 3.34Å
127	A	44.1	Very low	40.9	Very low	45 Å²	45	109.3 Å²	109.3	37%	0.372	59%	0.591	S	S	.	*	H	α-helix	trans	-78.1	-43.3	169.8	0	0	0	0	0	110.8	D123 E124 E125 S129 R130 V131	D123-A127 PolarHBondContact O-N 3.24Å; D123-A127 VanDerWaalsContact O-N 3.12Å; E124-A127 WeakPolarHBondContact O-CB 3.37Å; E124-A127 PolarHBondContact O-N 3.3Å; E124-A127 VanDerWaalsContact O-N 3.14Å; E125-A127 PolarHBondContact O-N 3.17Å; A127-S129 PolarHBondContact O-N 3.1Å; A127-R130 PolarHBondContact O-N 2.87Å; A127-V131 WeakPolarHBondContact O-CG2 3.5Å; A127-V131 PolarHBondContact O-N 3.42Å
128	I	44.5	Very low	40.8	Very low	116 Å²	116	100.9 Å²	100.9	60%	0.595	56%	0.562	S	S	*	*	H	α-helix	trans	-58.6	-46.1	178.5	-68.3	160.7	0	0	0	111.5	E124 E125 R130 V131 L132	E124-I128 WeakPolarHBondContact O-CG1 3.31Å; E124-I128 PolarHBondContact O-N 3.37Å; E124-I128 VanDerWaalsContact O-N 3.07Å; E125-I128 PolarHBondContact O-N 2.86Å; I128-R130 PolarHBondContact O-N 2.96Å; I128-V131 PolarHBondContact O-N 3.11Å; I128-L132 WeakPolarHBondContact O-CB 3.39Å; I128-L132 PolarHBondContact O-N 2.95Å
129	S	42.1	Very low	40.7	Very low	70 Å²	70	96.3 Å²	96.3	49%	0.49	54%	0.543	S	S	.	.	H	α-helix	trans	-58.8	-43.8	177.1	-57.1	0	0	0	0	112.7	E125 A127 L132 E133	E125-S129 PolarHBondContact O-N 3.09Å; E125-S129 VanDerWaalsContact O-N 3.09Å; E125-S129 PolarHBondContact O-OG 3.28Å; A127-S129 PolarHBondContact O-N 3.1Å; S129-L132 PolarHBondContact O-N 2.89Å; S129-E133 WeakPolarHBondContact O-CG 3.42Å; S129-E133 PolarHBondContact O-N 3.21Å
130	R	49.5	Very low	40.6	Very low	150 Å²	150	98.4 Å²	98.4	57%	0.566	54%	0.542	S	S	*	.	H	α-helix	trans	-67.6	-35.5	178.9	-80.2	177.5	-77.3	179.3	-7.2	113	Q126 A127 I128 A134	Q126-R130 PolarHBondContact O-NE 3.49Å; Q126-R130 PolarHBondContact O-NH2 3.34Å; A127-R130 PolarHBondContact O-N 2.87Å; I128-R130 PolarHBondContact O-N 2.96Å; R130-A134 WeakPolarHBondContact O-CB 3.5Å; R130-A134 PolarHBondContact O-N 3.33Å
131	V	44.7	Very low	40.5	Very low	103 Å²	103	98 Å²	98	62%	0.624	53%	0.531	S	S	*	.	H	α-helix	trans	-67.6	-38.4	173	171.6	0	0	0	0	111	A127 I128 A134 S135	A127-V131 WeakPolarHBondContact O-CG2 3.5Å; A127-V131 PolarHBondContact O-N 3.42Å; I128-V131 PolarHBondContact O-N 3.11Å; V131-A134 PolarHBondContact O-N 3.05Å; V131-S135 WeakPolarHBondContact O-CB 3.43Å; V131-S135 PolarHBondContact O-N 2.67Å
132	L	36.9	Very low	40.4	Very low	108 Å²	108	94 Å²	94	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-67.9	-44.3	177.8	-169.2	65.1	0	0	0	111.9	I128 S129 A134 S135 I136	I128-L132 WeakPolarHBondContact O-CB 3.39Å; I128-L132 PolarHBondContact O-N 2.95Å; S129-L132 PolarHBondContact O-N 2.89Å; L132-A134 PolarHBondContact O-N 3.37Å; L132-S135 PolarHBondContact O-N 3.09Å; L132-I136 HydrophobicContact CG-CD1 4.17Å; L132-I136 VanDerWaalsContact O-CG1 3.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.33Å; L132-I136 PolarHBondContact O-N 2.9Å
133	E	39.7	Very low	39.3	Very low	136 Å²	136	96.7 Å²	96.7	64%	0.636	53%	0.526	S	S	*	.	H	α-helix	trans	-60.8	-43.2	173.8	-73.3	179.6	152.1	0	0	112.1	S129 S135 I136 A137	S129-E133 WeakPolarHBondContact O-CG 3.42Å; S129-E133 PolarHBondContact O-N 3.21Å; E133-S135 VanDerWaalsContact C-N 3.34Å; E133-S135 PolarHBondContact O-N 3.18Å; E133-I136 PolarHBondContact O-N 3.34Å; E133-A137 PolarHBondContact O-N 3.22Å
134	A	40.1	Very low	38.9	Very low	57 Å²	57	99.2 Å²	99.2	47%	0.471	53%	0.53	S	S	.	.	H	α-helix	trans	-60.7	-41.4	174.3	0	0	0	0	0	112.1	R130 V131 L132 A137 E138	R130-A134 WeakPolarHBondContact O-CB 3.5Å; R130-A134 PolarHBondContact O-N 3.33Å; V131-A134 PolarHBondContact O-N 3.05Å; L132-A134 PolarHBondContact O-N 3.37Å; A134-A137 PolarHBondContact O-N 2.87Å; A134-E138 PolarHBondContact O-N 3.41Å
135	S	34.5	Very low	38.5	Very low	51 Å²	51	99 Å²	99	36%	0.357	52%	0.523	S	S	.	.	H	α-helix	trans	-68.2	-34.1	177	-168.2	0	0	0	0	113	V131 L132 E133 N139	V131-S135 WeakPolarHBondContact O-CB 3.43Å; V131-S135 PolarHBondContact O-N 2.67Å; L132-S135 PolarHBondContact O-N 3.09Å; E133-S135 VanDerWaalsContact C-N 3.34Å; E133-S135 PolarHBondContact O-N 3.18Å; S135-N139 WeakPolarHBondContact O-CB 3.48Å; S135-N139 PolarHBondContact O-N 3.08Å; S135-N139 PolarHBondContact O-ND2 3.45Å
136	I	39.1	Very low	37.8	Very low	96 Å²	96	97.4 Å²	97.4	49%	0.492	52%	0.521	S	S	.	.	H	α-helix	trans	-69.5	-39	173.8	-69	164.6	0	0	0	110.7	L132 E133 N139 K140	L132-I136 HydrophobicContact CG-CD1 4.17Å; L132-I136 VanDerWaalsContact O-CG1 3.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.33Å; L132-I136 PolarHBondContact O-N 2.9Å; E133-I136 PolarHBondContact O-N 3.34Å; I136-N139 PolarHBondContact O-N 3.02Å; I136-K140 PolarHBondContact O-N 3.49Å
137	A	38.3	Very low	37	Very low	62 Å²	62	100.4 Å²	100.4	51%	0.512	54%	0.535	S	S	.	.	H	α-helix	trans	-63.8	-45	173.4	0	0	0	0	0	112.1	E133 A134 N139 K140 A141	E133-A137 PolarHBondContact O-N 3.22Å; A134-A137 PolarHBondContact O-N 2.87Å; A137-N139 VanDerWaalsContact C-N 3.34Å; A137-N139 PolarHBondContact O-N 3.06Å; A137-K140 PolarHBondContact O-N 3.5Å; A137-A141 PolarHBondContact O-N 3.18Å
138	E	36.4	Very low	36.4	Very low	52 Å²	52	103.1 Å²	103.1	24%	0.243	55%	0.547	C	S	.	.	H	α-helix	trans	-58.6	-41.9	172.6	-97	-153.3	114	0	0	112.6	A134 A141 S142 R644	A134-E138 PolarHBondContact O-N 3.41Å; E138-A141 PolarHBondContact O-N 3.13Å; E138-S142 VanDerWaalsContact O-CB 3.3Å; E138-S142 WeakPolarHBondContact O-CB 3.31Å; E138-S142 PolarHBondContact O-N 3.13Å; E138-S142 PolarHBondContact O-OG 2.83Å; E138-R644 IonicContact OE1-CZ 3.67Å; E138-R644 VanDerWaalsContact OE1-CZ 3.31Å; E138-R644 IonicContact OE1-NH1 2.73Å; E138-R644 PolarHBondContact OE1-NH1 2.97Å; E138-R644 IonicContact OE1-NH2 2.85Å; E138-R644 PolarHBondContact OE1-NH2 3.32Å; E138-R644 IonicContact OE2-CZ 3.17Å; E138-R644 IonicContact OE2-NH1 3.92Å; E138-R644 PolarHBondContact OE2-NH1 3.11Å; E138-R644 IonicContact OE2-NH2 3.16Å
139	N	35.2	Very low	35.6	Very low	86 Å²	86	103.6 Å²	103.6	46%	0.46	55%	0.546	S	S	.	.	H	α-helix	trans	-66	-41.5	177.8	-86.7	-74	0	0	0	111.9	S135 I136 A137 A141 S142 L143	S135-N139 WeakPolarHBondContact O-CB 3.48Å; S135-N139 PolarHBondContact O-N 3.08Å; S135-N139 PolarHBondContact O-ND2 3.45Å; I136-N139 PolarHBondContact O-N 3.02Å; A137-N139 VanDerWaalsContact C-N 3.34Å; A137-N139 PolarHBondContact O-N 3.06Å; N139-A141 VanDerWaalsContact C-N 3.3Å; N139-A141 PolarHBondContact O-N 2.79Å; N139-S142 PolarHBondContact O-N 3.1Å; N139-S142 VanDerWaalsContact O-N 3.17Å; N139-L143 VanDerWaalsContact O-CD1 3.3Å; N139-L143 WeakPolarHBondContact O-CD1 3.35Å; N139-L143 PolarHBondContact O-N 2.9Å
140	K	34.8	Very low	35.1	Very low	163 Å²	163	106.3 Å²	106.3	71%	0.709	56%	0.56	S	S	*	*	H	α-helix	trans	-64.6	-31.4	173	-85.5	-169.5	172.7	-176.8	0	113.1	I136 A137	I136-K140 PolarHBondContact O-N 3.49Å; A137-K140 PolarHBondContact O-N 3.5Å
141	A	32.2	Very low	34.9	Very low	68 Å²	68	104.1 Å²	104.1	56%	0.562	55%	0.551	S	S	*	*	H	α-helix	trans	-72.7	-35.6	171.4	0	0	0	0	0	112.5	A137 E138 N139	A137-A141 PolarHBondContact O-N 3.18Å; E138-A141 PolarHBondContact O-N 3.13Å; N139-A141 VanDerWaalsContact C-N 3.3Å; N139-A141 PolarHBondContact O-N 2.79Å
142	S	32.3	Very low	34.9	Very low	42 Å²	42	104.7 Å²	104.7	29%	0.294	56%	0.56	S	S	.	*	H	α-helix	trans	-74.9	-37.9	-177.5	-61.1	0	0	0	0	113.3	E138 N139 K144 R145	E138-S142 VanDerWaalsContact O-CB 3.3Å; E138-S142 WeakPolarHBondContact O-CB 3.31Å; E138-S142 PolarHBondContact O-N 3.13Å; E138-S142 PolarHBondContact O-OG 2.83Å; N139-S142 PolarHBondContact O-N 3.1Å; N139-S142 VanDerWaalsContact O-N 3.17Å; S142-K144 PolarHBondContact O-N 3.28Å; S142-R145 PolarHBondContact O-N 3.32Å
143	L	31.2	Very low	36	Very low	128 Å²	128	102.2 Å²	102.2	67%	0.67	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-7.2	179.2	-98.3	79.4	0	0	0	114.4	N139	N139-L143 VanDerWaalsContact O-CD1 3.3Å; N139-L143 WeakPolarHBondContact O-CD1 3.35Å; N139-L143 PolarHBondContact O-N 2.9Å
144	K	30.8	Very low	37.4	Very low	189 Å²	189	97.6 Å²	97.6	82%	0.822	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	6.5	171.3	-69.9	-166.2	174.1	-172.8	0	114.4	S142	S142-K144 PolarHBondContact O-N 3.28Å
145	R	33.4	Very low	39.2	Very low	144 Å²	144	99.2 Å²	99.2	54%	0.543	54%	0.536	S	S	.	.			trans	-114.4	90.1	173.2	-67.3	-177.4	-178.6	142	-4.3	111	S142 H147	S142-R145 PolarHBondContact O-N 3.32Å; R145-H147 PolarHBondContact O-N 3.3Å
146	T	28.3	Very low	41.6	Very low	79 Å²	79	98.3 Å²	98.3	49%	0.485	53%	0.527	S	S	.	.			trans	-68.3	115	164	36.7	0	0	0	0	109.7	T148	T146-T148 VanDerWaalsContact C-N 3.27Å; T146-T148 PolarHBondContact O-N 3.08Å
147	H	29.7	Very low	44	Very low	164 Å²	164	93.9 Å²	93.9	76%	0.759	50%	0.504	S	S	*	.	S	Bend	trans	-81.4	68.9	-178.5	-172.9	-73.2	0	0	0	112	R145	R145-H147 PolarHBondContact O-N 3.3Å
148	T	30.4	Very low	46.4	Very low	102 Å²	102	94.5 Å²	94.5	63%	0.626	50%	0.496	S	S	*	.			trans	-158.2	57.7	140.8	-52.4	0	0	0	0	108.4	T146 V150	T146-T148 VanDerWaalsContact C-N 3.27Å; T146-T148 PolarHBondContact O-N 3.08Å; T148-V150 VanDerWaalsContact C-N 3.32Å; T148-V150 HydrophobicContact CG2-CG2 4.47Å; T148-V150 PolarHBondContact O-N 3.02Å
149	E	27.5	Very low	48.8	Very low	125 Å²	125	96.2 Å²	96.2	58%	0.584	51%	0.508	S	S	*	.			trans	-72.9	94.3	159	-78.7	-169.4	175.8	0	0	108.3	W151	E149-W151 VanDerWaalsContact C-N 3.26Å; E149-W151 VanDerWaalsContact O-CD1 3.22Å; E149-W151 PolarHBondContact O-N 2.8Å
150	V	32.9	Very low	51.4	Low	127 Å²	127	93.7 Å²	93.7	77%	0.77	49%	0.492	S	S	*	.			trans	-58.8	103.1	146.5	175.5	0	0	0	0	104.7	T148 S152	T148-V150 VanDerWaalsContact C-N 3.32Å; T148-V150 HydrophobicContact CG2-CG2 4.47Å; T148-V150 PolarHBondContact O-N 3.02Å; V150-S152 VanDerWaalsContact C-N 3.29Å; V150-S152 PolarHBondContact O-N 3.41Å
151	W	44.6	Very low	54.1	Low	104 Å²	104	90.9 Å²	90.9	39%	0.394	48%	0.479	S	S	.	.			trans	-61.8	85.1	-167	-64.1	79.1	0	0	0	111.7	E149 D153 I632 S633	E149-W151 VanDerWaalsContact C-N 3.26Å; E149-W151 VanDerWaalsContact O-CD1 3.22Å; E149-W151 PolarHBondContact O-N 2.8Å; W151-D153 PolarHBondContact O-N 3.21Å; W151-D153 VanDerWaalsContact O-N 3.15Å; W151-I632 HydrophobicContact CD2-CG1 4.43Å; W151-I632 HydrophobicContact CE3-CD1 3.64Å; W151-I632 HydrophobicContact CE3-CG1 3.51Å; W151-I632 HydrophobicContact CH2-CG1 4.05Å; W151-I632 HydrophobicContact CZ3-CD1 3.87Å; W151-I632 HydrophobicContact CZ3-CG1 3.29Å; W151-S633 WeakPolarHBondContact CH2-OG 3.47Å; W151-S633 WeakPolarHBondContact CZ3-OG 3.49Å
152	S	44.3	Very low	56.9	Low	115 Å²	115	90.1 Å²	90.1	80%	0.804	46%	0.462	S	S	*	.			trans	-71.6	106.6	174.5	-168.3	0	0	0	0	108.2	V150 S154	V150-S152 VanDerWaalsContact C-N 3.29Å; V150-S152 PolarHBondContact O-N 3.41Å; S152-S154 PolarHBondContact O-N 3.32Å
153	D	59.3	Low	59.4	Low	56 Å²	56	94.1 Å²	94.1	30%	0.299	48%	0.479	S	S	.	.			trans	-56	122.1	179.1	-140.6	-19.1	0	0	0	109.1	W151 P155 R160 K171 Y238	W151-D153 PolarHBondContact O-N 3.21Å; W151-D153 VanDerWaalsContact O-N 3.15Å; D153-P155 WeakPolarHBondContact O-CD 3.42Å; D153-P155 VanDerWaalsContact O-N 3.15Å; D153-R160 VanDerWaalsContact OD1-CD 3.26Å; D153-R160 WeakPolarHBondContact OD1-CD 3.23Å; D153-K171 IonicContact OD2-NZ 3.54Å; D153-K171 PolarHBondContact OD2-NZ 3.07Å; D153-Y238 PolarHBondContact OD1-OH 2.97Å; D153-Y238 PolarHBondContact OD2-OH 2.61Å
154	S	70.6	Confident	61.5	Low	39 Å²	39	95.5 Å²	95.5	27%	0.273	49%	0.487	S	S	.	.			trans	-62	122.6	-177.6	-176.8	0	0	0	0	108.8	S152 N156 D159 R160	S152-S154 PolarHBondContact O-N 3.32Å; S154-N156 PolarHBondContact O-N 3.44Å; S154-N156 VanDerWaalsContact O-N 3.17Å; S154-D159 PolarHBondContact OG-OD2 2.92Å; S154-R160 VanDerWaalsContact O-CD 3.27Å; S154-R160 WeakPolarHBondContact O-CD 3.37Å; S154-R160 PolarHBondContact O-NE 3.24Å
155	P	76.9	Confident	63.5	Low	91 Å²	91	91 Å²	91	59%	0.591	48%	0.479	S	S	*	.	S	Bend	trans	-61	-31.2	-178.1	23.9	-33.3	0	0	0	111.3	D153 P157 R160 W709	D153-P155 WeakPolarHBondContact O-CD 3.42Å; D153-P155 VanDerWaalsContact O-N 3.15Å; P155-P157 VanDerWaalsContact O-CD 3.27Å; P155-P157 WeakPolarHBondContact O-CD 3.39Å; P155-R160 PolarHBondContact O-NH2 2.69Å; P155-W709 HydrophobicContact CB-CH2 3.99Å; P155-W709 HydrophobicContact CB-CZ3 4.16Å; P155-W709 HydrophobicContact CG-CH2 4.27Å
156	N	86.1	Confident	65.8	Low	32 Å²	32	86 Å²	86	17%	0.171	47%	0.466	C	S	.	.	S	Bend	trans	-63.3	114.8	175	176.7	24.2	0	0	0	111.9	S154 H158 D159 W709	S154-N156 PolarHBondContact O-N 3.44Å; S154-N156 VanDerWaalsContact O-N 3.17Å; N156-H158 VanDerWaalsContact C-N 3.25Å; N156-H158 PolarHBondContact O-N 3.17Å; N156-H158 PolarHBondContact OD1-CD2 3.43Å; N156-H158 PolarHBondContact OD1-N 3.33Å; N156-D159 WeakPolarHBondContact CB-OD2 3.26Å; N156-D159 PolarHBondContact ND2-OD1 2.91Å; N156-D159 PolarHBondContact ND2-OD2 2.96Å; N156-D159 PolarHBondContact O-N 3.3Å; N156-W709 HydrophobicContact CB-CZ2 3.82Å; N156-W709 PolarHBondContact OD1-NE1 3.41Å; N156-W709 VanDerWaalsContact OD1-NE1 3.16Å
157	P	88.4	Confident	68.8	Low	3 Å²	3	83.5 Å²	83.5	2%	0.019	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-63.8	-26.9	179.4	-20.9	33.3	0	0	0	113.6	P155 D159 R160 K161 F702 E705 I706 W709	P155-P157 VanDerWaalsContact O-CD 3.27Å; P155-P157 WeakPolarHBondContact O-CD 3.39Å; P157-D159 VanDerWaalsContact C-N 3.34Å; P157-D159 PolarHBondContact O-N 3.44Å; P157-R160 CarbonylContact O-C 3.41Å; P157-R160 WeakPolarHBondContact O-CA 3.32Å; P157-R160 PolarHBondContact O-N 2.93Å; P157-R160 VanDerWaalsContact O-N 3.09Å; P157-K161 PolarHBondContact O-N 2.95Å; P157-F702 HydrophobicContact CB-CE2 4.12Å; P157-F702 WeakPolarHBondContact O-CZ 3.41Å; P157-E705 HydrophobicContact CB-CG 4.48Å; P157-E705 HydrophobicContact CG-CG 4.15Å; P157-I706 HydrophobicContact CB-CG1 3.69Å; P157-W709 HydrophobicContact CG-CB 3.81Å; P157-W709 HydrophobicContact CG-CG 4.06Å
158	H	88.2	Confident	71.7	Confident	75 Å²	75	75.8 Å²	75.8	35%	0.347	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-63.9	-36.5	179.1	-65.9	-81.1	0	0	0	112.5	N156 R160 K161 I706 D710	N156-H158 VanDerWaalsContact C-N 3.25Å; N156-H158 PolarHBondContact O-N 3.17Å; N156-H158 PolarHBondContact OD1-CD2 3.43Å; N156-H158 PolarHBondContact OD1-N 3.33Å; H158-R160 PolarHBondContact O-N 3.45Å; H158-K161 VanDerWaalsContact O-CB 3.24Å; H158-K161 WeakPolarHBondContact O-CB 3.5Å; H158-K161 PolarHBondContact O-N 3.22Å; H158-K161 VanDerWaalsContact O-N 3.17Å; H158-I706 WeakPolarHBondContact CE1-CG2 3.49Å; H158-D710 IonicContact CD2-OD1 2.69Å; H158-D710 IonicContact CE1-OD1 2.67Å; H158-D710 IonicContact CE1-OD2 3.58Å; H158-D710 PolarHBondContact CE1-OD2 2.91Å; H158-D710 VanDerWaalsContact NE2-CG 3.31Å; H158-D710 IonicContact NE2-OD1 3.3Å; H158-D710 PolarHBondContact NE2-OD1 2.84Å; H158-D710 IonicContact NE2-OD2 3.22Å; H158-D710 PolarHBondContact NE2-OD2 3.35Å; H158-D710 VanDerWaalsContact NE2-OD2 3.08Å
159	D	87.2	Confident	74.8	Confident	89 Å²	89	71 Å²	71	48%	0.476	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-69.3	-21.1	176.3	-56.2	-28.1	0	0	0	112.4	S154 N156 P157	S154-D159 PolarHBondContact OG-OD2 2.92Å; N156-D159 WeakPolarHBondContact CB-OD2 3.26Å; N156-D159 PolarHBondContact ND2-OD1 2.91Å; N156-D159 PolarHBondContact ND2-OD2 2.96Å; N156-D159 PolarHBondContact O-N 3.3Å; P157-D159 VanDerWaalsContact C-N 3.34Å; P157-D159 PolarHBondContact O-N 3.44Å
160	R	90	Very high	78	Confident	33 Å²	33	65 Å²	65	13%	0.125	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-93.8	2.1	177.9	-62.7	-176.5	-78.1	121.8	-5.3	112.4	D153 S154 P155 P157 H158 K237 Y238 F702 E705	D153-R160 VanDerWaalsContact OD1-CD 3.26Å; D153-R160 WeakPolarHBondContact OD1-CD 3.23Å; S154-R160 VanDerWaalsContact O-CD 3.27Å; S154-R160 WeakPolarHBondContact O-CD 3.37Å; S154-R160 PolarHBondContact O-NE 3.24Å; P155-R160 PolarHBondContact O-NH2 2.69Å; P157-R160 CarbonylContact O-C 3.41Å; P157-R160 WeakPolarHBondContact O-CA 3.32Å; P157-R160 PolarHBondContact O-N 2.93Å; P157-R160 VanDerWaalsContact O-N 3.09Å; H158-R160 PolarHBondContact O-N 3.45Å; R160-K237 VanDerWaalsContact O-CB 3.26Å; R160-K237 WeakPolarHBondContact O-CB 3.27Å; R160-K237 PolarHBondContact O-N 3.15Å; R160-Y238 WeakPolarHBondContact CD-OH 3.32Å; R160-Y238 HydrophobicContact CG-CE1 4.25Å; R160-F702 HydrophobicContact CB-CZ 4.47Å; R160-E705 IonicContact CZ-OE1 3.45Å; R160-E705 IonicContact NH1-OE1 2.68Å; R160-E705 PolarHBondContact NH1-OE1 3.17Å; R160-E705 IonicContact NH2-OE1 2.61Å; R160-E705 PolarHBondContact NH2-OE1 3.37Å
161	K	91.2	Very high	80.8	Confident	104 Å²	104	62.2 Å²	62.2	45%	0.452	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-77.1	140.3	175.8	-169.3	167.9	-179.4	170.4	0	111.4	P157 H158 F702 I706	P157-K161 PolarHBondContact O-N 2.95Å; H158-K161 VanDerWaalsContact O-CB 3.24Å; H158-K161 WeakPolarHBondContact O-CB 3.5Å; H158-K161 PolarHBondContact O-N 3.22Å; H158-K161 VanDerWaalsContact O-N 3.17Å; K161-F702 HydrophobicContact CB-CE1 4.21Å; K161-F702 HydrophobicContact CB-CZ 4.28Å; K161-F702 HydrophobicContact CG-CE1 4.26Å; K161-I706 HydrophobicContact CD-CD1 4.33Å
162	R	91.3	Very high	82.7	Confident	51 Å²	51	59.5 Å²	59.5	19%	0.192	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-72.1	143.9	176	-170.2	175.6	178.1	-173.6	-2.1	110.5	C166 V232 S234 K235	R162-C166 PolarHBondContact NE-O 3.17Å; R162-C166 PolarHBondContact NH2-O 2.9Å; R162-V232 PolarHBondContact NH1-O 3.01Å; R162-S234 WeakPolarHBondContact CD-O 3.37Å; R162-S234 PolarHBondContact NH1-O 3.18Å; R162-K235 WeakPolarHBondContact CB-O 3.31Å; R162-K235 PolarHBondContact N-O 3.1Å
163	I	85.9	Confident	84.5	Confident	126 Å²	126	55.5 Å²	55.5	65%	0.646	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-91.5	124.9	162.2	-60.9	168.9	0	0	0	106.1	S165 C166	I163-S165 PolarHBondContact O-N 3.39Å; I163-C166 HydrophobicContact CB-CB 4.42Å; I163-C166 VanDerWaalsContact O-CB 3.28Å; I163-C166 WeakPolarHBondContact O-CB 3.45Å; I163-C166 PolarHBondContact O-N 3.41Å
164	D	74.6	Confident	85.3	Confident	157 Å²	157	55.2 Å²	55.2	84%	0.84	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.2	-166.3	-57.8	-37.5	0	0	0	114.4	C166	D164-C166 VanDerWaalsContact C-N 3.28Å; D164-C166 PolarHBondContact O-N 3.02Å
165	S	72.3	Confident	85.4	Confident	95 Å²	95	60 Å²	60	66%	0.664	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	9	177.8	70	0	0	0	0	114.9	I163	I163-S165 PolarHBondContact O-N 3.39Å
166	C	82.4	Confident	85.6	Confident	39 Å²	39	55.9 Å²	55.9	26%	0.264	31%	0.306	S	S	.	.	S	Bend	trans	-113.2	139.1	-176.7	-156	0	0	0	0	111.5	R162 I163 D164	R162-C166 PolarHBondContact NE-O 3.17Å; R162-C166 PolarHBondContact NH2-O 2.9Å; I163-C166 HydrophobicContact CB-CB 4.42Å; I163-C166 VanDerWaalsContact O-CB 3.28Å; I163-C166 WeakPolarHBondContact O-CB 3.45Å; I163-C166 PolarHBondContact O-N 3.41Å; D164-C166 VanDerWaalsContact C-N 3.28Å; D164-C166 PolarHBondContact O-N 3.02Å
167	P	90.3	Very high	85.6	Confident	26 Å²	26	54.6 Å²	54.6	17%	0.169	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-66.1	158.3	168.6	-16.1	30.1	0	0	0	112.2	M627 Y629 V634	P167-M627 HydrophobicContact CG-CE 4.34Å; P167-Y629 HydrophobicContact CB-CE1 3.87Å; P167-Y629 HydrophobicContact CG-CE1 4.43Å; P167-Y629 WeakPolarHBondContact CG-OH 3.49Å; P167-V634 HydrophobicContact CB-CG1 4.07Å; P167-V634 HydrophobicContact CG-CG1 3.99Å
168	V	92.4	Very high	85.5	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.018	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-83.1	131.6	-179.1	-179.1	0	0	0	0	110.3	Q184 M231 V239	V168-Q184 PolarHBondContact O-NE2 3.3Å; V168-M231 VanDerWaalsContact CG2-O 3.24Å; V168-M231 WeakPolarHBondContact CG2-O 3.5Å; V168-V239 HydrophobicContact CG1-CB 4.21Å; V168-V239 HydrophobicContact CG1-CG2 3.65Å
169	G	94.1	Very high	85.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	173.4	172	0	0	0	0	0	113.6	K237 Y238 V239 D631	G169-K237 PolarHBondContact N-O 3.1Å; G169-Y238 CarbonylContact O-C 3.53Å; G169-Y238 WeakPolarHBondContact O-CA 3.38Å; G169-Y238 WeakPolarHBondContact O-CB 2.9Å; G169-V239 PolarHBondContact O-N 2.91Å; G169-D631 CarbonylContact C-O 3.59Å; G169-D631 WeakPolarHBondContact CA-O 3.35Å
170	L	94.7	Very high	85.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.1	174.1	-71.2	175.9	0	0	0	111.2	I183 Q184 L227 M231 V239 D631 I632	L170-I183 HydrophobicContact CD1-CB 4.2Å; L170-I183 HydrophobicContact CD1-CG2 3.93Å; L170-Q184 HydrophobicContact CD1-CG 4.18Å; L170-L227 HydrophobicContact CD2-CD1 3.86Å; L170-M231 HydrophobicContact CD1-CE 4.26Å; L170-M231 HydrophobicContact CD1-SD 4.36Å; L170-M231 HydrophobicContact CD2-CG 4.25Å; L170-M231 HydrophobicContact CD2-SD 4.01Å; L170-M231 HydrophobicContact CG-CE 4.42Å; L170-V239 WeakPolarHBondContact CA-O 3.49Å; L170-V239 HydrophobicContact CD2-CB 4.45Å; L170-D631 PolarHBondContact N-O 2.93Å; L170-D631 CarbonylContact O-C 3.56Å; L170-D631 WeakPolarHBondContact O-CA 3.27Å; L170-D631 WeakPolarHBondContact O-CB 3.39Å; L170-I632 WeakPolarHBondContact O-CG2 3.09Å; L170-I632 PolarHBondContact O-N 3.28Å; L170-I632 VanDerWaalsContact O-N 3.14Å
171	K	91.4	Very high	85.9	Confident	69 Å²	69	46.6 Å²	46.6	30%	0.3	26%	0.26	S	S	.	.			trans	-72.1	133.2	177.3	-173.7	163.5	170.4	169.2	0	110.5	D153 Y238 V239 D240 P241 I632	D153-K171 IonicContact OD2-NZ 3.54Å; D153-K171 PolarHBondContact OD2-NZ 3.07Å; K171-Y238 HydrophobicContact CB-CD2 3.99Å; K171-Y238 HydrophobicContact CB-CE2 4.29Å; K171-Y238 HydrophobicContact CD-CD2 4.47Å; K171-Y238 HydrophobicContact CD-CE2 3.94Å; K171-V239 PolarHBondContact N-O 3.25Å; K171-D240 WeakPolarHBondContact CD-OD2 3.49Å; K171-P241 WeakPolarHBondContact O-CD 3.3Å; K171-P241 WeakPolarHBondContact O-CG 3.15Å; K171-I632 HydrophobicContact CB-CG2 4.12Å
172	N	86	Confident	86	Confident	47 Å²	47	41.8 Å²	41.8	25%	0.251	24%	0.239	S	C	.	.			trans	-81	129.4	178.7	-158	-10.4	0	0	0	110.7	G174 T176 C177 D631	N172-G174 VanDerWaalsContact CG-O 3.29Å; N172-G174 PolarHBondContact OD1-O 3.04Å; N172-T176 VanDerWaalsContact OD1-C 3.27Å; N172-T176 WeakPolarHBondContact OD1-CA 3.4Å; N172-T176 PolarHBondContact OD1-N 3.28Å; N172-T176 VanDerWaalsContact OD1-N 3.12Å; N172-T176 PolarHBondContact OD1-OG1 3.21Å; N172-C177 WeakPolarHBondContact ND2-CB 3.43Å; N172-C177 PolarHBondContact OD1-N 2.87Å; N172-D631 HydrophobicContact CB-CB 4.32Å; N172-D631 WeakPolarHBondContact CB-OD2 3.18Å; N172-D631 PolarHBondContact ND2-OD2 2.79Å
173	V	81.4	Confident	86.2	Confident	30 Å²	30	39.4 Å²	39.4	18%	0.182	23%	0.23	C	C	.	.			trans	-109.9	62.4	-169.9	-167.6	0	0	0	0	110.1	T176 P241 S242 K249	V173-T176 WeakPolarHBondContact CA-OG1 3.45Å; V173-T176 PolarHBondContact N-OG1 2.77Å; V173-T176 PolarHBondContact O-OG1 2.72Å; V173-P241 HydrophobicContact CG2-CG 3.86Å; V173-S242 VanDerWaalsContact CG1-OG 3.26Å; V173-S242 WeakPolarHBondContact CG1-OG 3.31Å; V173-S242 VanDerWaalsContact CG2-OG 3.3Å; V173-S242 WeakPolarHBondContact CG2-OG 3.33Å; V173-K249 PolarHBondContact O-NZ 3.23Å
174	G	76.1	Confident	86.6	Confident	51 Å²	51	33.6 Å²	33.6	53%	0.526	20%	0.2	S	C	.	.	S	Bend	trans	85.8	-135.8	-168	0	0	0	0	0	110.9	N172 T176	N172-G174 VanDerWaalsContact CG-O 3.29Å; N172-G174 PolarHBondContact OD1-O 3.04Å; G174-T176 VanDerWaalsContact C-N 3.28Å; G174-T176 PolarHBondContact O-N 3.33Å
175	N	72.6	Confident	87.6	Confident	140 Å²	140	26.1 Å²	26.1	75%	0.749	16%	0.16	S	C	*	.	S	Bend	trans	-87.3	64.5	-180	-63	3	0	0	0	110.6	W178	N175-W178 PolarHBondContact O-NE1 2.88Å
176	T	80.1	Confident	88.6	Confident	4 Å²	4	22 Å²	22	3%	0.025	13%	0.131	C	C	.	.			trans	-132	17.6	-171.1	55.7	0	0	0	0	115.2	N172 V173 G174 W178 F179 V245	N172-T176 VanDerWaalsContact OD1-C 3.27Å; N172-T176 WeakPolarHBondContact OD1-CA 3.4Å; N172-T176 PolarHBondContact OD1-N 3.28Å; N172-T176 VanDerWaalsContact OD1-N 3.12Å; N172-T176 PolarHBondContact OD1-OG1 3.21Å; V173-T176 WeakPolarHBondContact CA-OG1 3.45Å; V173-T176 PolarHBondContact N-OG1 2.77Å; V173-T176 PolarHBondContact O-OG1 2.72Å; G174-T176 VanDerWaalsContact C-N 3.28Å; G174-T176 PolarHBondContact O-N 3.33Å; T176-W178 HydrophobicContact CG2-CZ2 4.14Å; T176-W178 PolarHBondContact O-N 3.29Å; T176-W178 VanDerWaalsContact O-N 3.11Å; T176-F179 VanDerWaalsContact O-CB 3.22Å; T176-F179 WeakPolarHBondContact O-CB 3.33Å; T176-F179 PolarHBondContact O-N 3.02Å; T176-V245 HydrophobicContact CG2-CG1 3.97Å
177	C	86.6	Confident	89.1	Confident	5 Å²	5	20.9 Å²	20.9	3%	0.034	12%	0.122	C	C	.	.	H	α-helix	trans	-57.2	-24	176	41.9	0	0	0	0	113.9	N172 F179 S180 A181 H613 Y614	N172-C177 WeakPolarHBondContact ND2-CB 3.43Å; N172-C177 PolarHBondContact OD1-N 2.87Å; C177-F179 VanDerWaalsContact C-N 3.26Å; C177-F179 PolarHBondContact O-N 3.36Å; C177-S180 VanDerWaalsContact O-CB 3.31Å; C177-S180 WeakPolarHBondContact O-CB 3.45Å; C177-S180 PolarHBondContact O-N 3.38Å; C177-S180 VanDerWaalsContact O-N 3.15Å; C177-A181 PolarHBondContact O-N 3.11Å; C177-H613 PolarHBondContact SG-ND1 3.5Å; C177-Y614 PolarHBondContact SG-N 2.89Å
178	W	86.6	Confident	89.2	Confident	25 Å²	25	21.4 Å²	21.4	10%	0.095	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-37.5	169.5	49.2	-99.7	0	0	0	112.4	N175 T176 A181 V182 L248 V262 F265 Y614	N175-W178 PolarHBondContact O-NE1 2.88Å; T176-W178 HydrophobicContact CG2-CZ2 4.14Å; T176-W178 PolarHBondContact O-N 3.29Å; T176-W178 VanDerWaalsContact O-N 3.11Å; W178-A181 PolarHBondContact O-N 3.27Å; W178-V182 WeakPolarHBondContact O-CB 3.45Å; W178-V182 WeakPolarHBondContact O-CG2 3.39Å; W178-V182 PolarHBondContact O-N 3.47Å; W178-V182 VanDerWaalsContact O-N 3.07Å; W178-L248 HydrophobicContact CH2-CD2 3.71Å; W178-L248 HydrophobicContact CZ3-CD2 3.76Å; W178-V262 HydrophobicContact CB-CG2 3.83Å; W178-F265 HydrophobicContact CE3-CB 3.97Å; W178-F265 AromaticContact CE3-CD1 3.44Å; W178-F265 HydrophobicContact CE3-CD1 3.44Å; W178-F265 VanDerWaalsContact CE3-CD1 3.44Å; W178-F265 HydrophobicContact CE3-CD2 4.44Å; W178-F265 HydrophobicContact CE3-CE1 4.01Å; W178-F265 AromaticContact CE3-CG 3.67Å; W178-F265 HydrophobicContact CE3-CG 3.67Å; W178-F265 HydrophobicContact CZ3-CB 3.88Å; W178-F265 AromaticContact CZ3-CD1 3.55Å; W178-F265 HydrophobicContact CZ3-CD1 3.55Å; W178-F265 AromaticContact CZ3-CD2 3.73Å; W178-F265 HydrophobicContact CZ3-CD2 3.73Å; W178-F265 AromaticContact CZ3-CE1 3.98Å; W178-F265 HydrophobicContact CZ3-CE1 3.98Å; W178-F265 HydrophobicContact CZ3-CE2 4.17Å; W178-F265 AromaticContact CZ3-CG 3.41Å; W178-F265 HydrophobicContact CZ3-CG 3.41Å; W178-F265 VanDerWaalsContact CZ3-CG 3.41Å; W178-F265 HydrophobicContact CZ3-CZ 4.27Å; W178-Y614 HydrophobicContact CB-CD2 3.99Å; W178-Y614 HydrophobicContact CB-CE2 4.44Å; W178-Y614 HydrophobicContact CB-CG 4.14Å
179	F	90.1	Very high	89.2	Confident	1 Å²	1	21.3 Å²	21.3	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-64.9	-46.5	174	-173.9	-86.9	0	0	0	109.9	T176 C177 A181 V182 I183 F220 L227 P241 A244 V245 L248 F265	T176-F179 VanDerWaalsContact O-CB 3.22Å; T176-F179 WeakPolarHBondContact O-CB 3.33Å; T176-F179 PolarHBondContact O-N 3.02Å; C177-F179 VanDerWaalsContact C-N 3.26Å; C177-F179 PolarHBondContact O-N 3.36Å; F179-A181 PolarHBondContact O-N 3.12Å; F179-V182 PolarHBondContact O-N 3.21Å; F179-I183 HydrophobicContact CD1-CB 4.49Å; F179-I183 HydrophobicContact CD1-CG1 3.84Å; F179-I183 HydrophobicContact CD2-CG1 4.26Å; F179-I183 HydrophobicContact CE1-CB 4.35Å; F179-I183 HydrophobicContact CE1-CG1 3.58Å; F179-I183 HydrophobicContact CE2-CD1 4.44Å; F179-I183 HydrophobicContact CE2-CG1 4.03Å; F179-I183 HydrophobicContact CG-CG1 4.17Å; F179-I183 HydrophobicContact CZ-CD1 4.27Å; F179-I183 HydrophobicContact CZ-CG1 3.69Å; F179-I183 VanDerWaalsContact O-CB 3.26Å; F179-I183 WeakPolarHBondContact O-CB 3.44Å; F179-I183 VanDerWaalsContact O-CG1 3.29Å; F179-I183 WeakPolarHBondContact O-CG1 3.24Å; F179-I183 PolarHBondContact O-N 2.96Å; F179-F220 HydrophobicContact CE2-CE2 4.33Å; F179-F220 HydrophobicContact CE2-CZ 4.42Å; F179-L227 HydrophobicContact CE1-CD2 4.06Å; F179-L227 HydrophobicContact CZ-CD2 4.4Å; F179-P241 HydrophobicContact CD1-CB 4.04Å; F179-P241 HydrophobicContact CD1-CG 4.43Å; F179-P241 HydrophobicContact CE1-CB 3.6Å; F179-P241 HydrophobicContact CE1-CG 4.47Å; F179-A244 HydrophobicContact CZ-CB 3.92Å; F179-V245 HydrophobicContact CB-CG2 4.39Å; F179-V245 HydrophobicContact CD1-CG2 3.66Å; F179-V245 HydrophobicContact CD2-CG2 3.84Å; F179-V245 HydrophobicContact CE1-CG2 3.77Å; F179-V245 HydrophobicContact CE2-CG2 3.95Å; F179-V245 HydrophobicContact CG-CG2 3.7Å; F179-V245 HydrophobicContact CZ-CG2 3.92Å; F179-L248 HydrophobicContact CD2-CD2 4.04Å; F179-L248 HydrophobicContact CE2-CD2 4.28Å; F179-F265 HydrophobicContact CB-CE1 4.44Å; F179-F265 AromaticContact CD2-CE1 3.8Å; F179-F265 HydrophobicContact CD2-CE1 3.8Å; F179-F265 HydrophobicContact CD2-CE2 4.04Å; F179-F265 AromaticContact CD2-CZ 3.34Å; F179-F265 HydrophobicContact CD2-CZ 3.34Å; F179-F265 HydrophobicContact CE2-CE1 4.49Å; F179-F265 HydrophobicContact CE2-CE2 4.29Å; F179-F265 AromaticContact CE2-CZ 3.67Å; F179-F265 HydrophobicContact CE2-CZ 3.67Å; F179-F265 HydrophobicContact CG-CE1 4.38Å; F179-F265 HydrophobicContact CG-CZ 4.31Å
180	S	92	Very high	89	Confident	5 Å²	5	22.2 Å²	22.2	4%	0.035	13%	0.127	C	C	.	.	H	α-helix	trans	-54.6	-50.1	175.7	-51.7	0	0	0	0	112	C177 Q184 D631	C177-S180 VanDerWaalsContact O-CB 3.31Å; C177-S180 WeakPolarHBondContact O-CB 3.45Å; C177-S180 PolarHBondContact O-N 3.38Å; C177-S180 VanDerWaalsContact O-N 3.15Å; S180-Q184 VanDerWaalsContact O-CB 3.32Å; S180-Q184 WeakPolarHBondContact O-CB 3.44Å; S180-Q184 WeakPolarHBondContact O-CG 3.36Å; S180-Q184 PolarHBondContact O-N 3.19Å; S180-D631 WeakPolarHBondContact CB-OD1 3.26Å; S180-D631 PolarHBondContact OG-OD1 2.93Å
181	A	92.9	Very high	88.8	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-64.9	-45.5	-177.1	0	0	0	0	0	112.6	C177 W178 F179 S185 L603 A616	C177-A181 PolarHBondContact O-N 3.11Å; W178-A181 PolarHBondContact O-N 3.27Å; F179-A181 PolarHBondContact O-N 3.12Å; A181-S185 WeakPolarHBondContact O-CB 3.44Å; A181-S185 PolarHBondContact O-N 3.08Å; A181-S185 VanDerWaalsContact O-N 3.14Å; A181-S185 PolarHBondContact O-OG 3.36Å; A181-L603 HydrophobicContact CB-CD2 4.37Å; A181-L603 HydrophobicContact CB-CG 4.44Å; A181-A616 HydrophobicContact CB-CB 4.23Å
182	V	92.8	Very high	88.9	Confident	3 Å²	3	21.3 Å²	21.3	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-66.3	-50.1	178	167.5	0	0	0	0	111.4	W178 F179 Q184 S185 L186 V262 F265 T266 L269 L603	W178-V182 WeakPolarHBondContact O-CB 3.45Å; W178-V182 WeakPolarHBondContact O-CG2 3.39Å; W178-V182 PolarHBondContact O-N 3.47Å; W178-V182 VanDerWaalsContact O-N 3.07Å; F179-V182 PolarHBondContact O-N 3.21Å; V182-Q184 PolarHBondContact O-N 3.39Å; V182-S185 PolarHBondContact O-N 3.22Å; V182-L186 HydrophobicContact CG1-CD1 3.85Å; V182-L186 WeakPolarHBondContact O-CG 3.26Å; V182-L186 PolarHBondContact O-N 3.4Å; V182-V262 HydrophobicContact CG2-CG1 3.52Å; V182-F265 HydrophobicContact CB-CD1 4.11Å; V182-F265 HydrophobicContact CB-CE1 3.8Å; V182-F265 HydrophobicContact CG1-CD1 4.06Å; V182-F265 HydrophobicContact CG1-CE1 3.62Å; V182-F265 HydrophobicContact CG2-CD1 4.05Å; V182-F265 HydrophobicContact CG2-CE1 4.27Å; V182-T266 HydrophobicContact CB-CG2 4.28Å; V182-T266 HydrophobicContact CG1-CG2 3.72Å; V182-T266 HydrophobicContact CG2-CG2 3.49Å; V182-T266 VanDerWaalsContact CG2-CG2 3.49Å; V182-L269 HydrophobicContact CG1-CD2 3.71Å; V182-L603 HydrophobicContact CB-CD2 4.46Å; V182-L603 HydrophobicContact CG2-CD2 3.55Å
183	I	94.6	Very high	89.2	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-65.7	-39.1	-176.6	-68.4	-54.1	0	0	0	111.6	L170 F179 F187 L224 L227 F228 M231 F265 L269	L170-I183 HydrophobicContact CD1-CB 4.2Å; L170-I183 HydrophobicContact CD1-CG2 3.93Å; F179-I183 HydrophobicContact CD1-CB 4.49Å; F179-I183 HydrophobicContact CD1-CG1 3.84Å; F179-I183 HydrophobicContact CD2-CG1 4.26Å; F179-I183 HydrophobicContact CE1-CB 4.35Å; F179-I183 HydrophobicContact CE1-CG1 3.58Å; F179-I183 HydrophobicContact CE2-CD1 4.44Å; F179-I183 HydrophobicContact CE2-CG1 4.03Å; F179-I183 HydrophobicContact CG-CG1 4.17Å; F179-I183 HydrophobicContact CZ-CD1 4.27Å; F179-I183 HydrophobicContact CZ-CG1 3.69Å; F179-I183 VanDerWaalsContact O-CB 3.26Å; F179-I183 WeakPolarHBondContact O-CB 3.44Å; F179-I183 VanDerWaalsContact O-CG1 3.29Å; F179-I183 WeakPolarHBondContact O-CG1 3.24Å; F179-I183 PolarHBondContact O-N 2.96Å; I183-F187 WeakPolarHBondContact O-CB 3.23Å; I183-F187 PolarHBondContact O-N 3.05Å; I183-L224 HydrophobicContact CD1-CD1 3.87Å; I183-L227 HydrophobicContact CG2-CD2 4.35Å; I183-F228 HydrophobicContact CG2-CE1 3.98Å; I183-M231 HydrophobicContact CG2-CE 4.47Å; I183-M231 HydrophobicContact CG2-SD 4.23Å; I183-F265 HydrophobicContact CD1-CZ 4.45Å; I183-L269 HydrophobicContact CD1-CD2 3.86Å
184	Q	95.1	Very high	89.6	Confident	3 Å²	3	20.1 Å²	20.1	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-44.7	172.6	-69.7	-75.2	7.9	0	0	111.5	V168 L170 S180 V182 L186 F187 N188 M231 I618 Y629	V168-Q184 PolarHBondContact O-NE2 3.3Å; L170-Q184 HydrophobicContact CD1-CG 4.18Å; S180-Q184 VanDerWaalsContact O-CB 3.32Å; S180-Q184 WeakPolarHBondContact O-CB 3.44Å; S180-Q184 WeakPolarHBondContact O-CG 3.36Å; S180-Q184 PolarHBondContact O-N 3.19Å; V182-Q184 PolarHBondContact O-N 3.39Å; Q184-L186 VanDerWaalsContact C-N 3.31Å; Q184-L186 PolarHBondContact O-N 3.24Å; Q184-F187 PolarHBondContact O-N 3.23Å; Q184-N188 PolarHBondContact O-N 2.61Å; Q184-N188 VanDerWaalsContact O-N 3.14Å; Q184-N188 PolarHBondContact O-ND2 3.31Å; Q184-M231 HydrophobicContact CG-CE 4.47Å; Q184-I618 VanDerWaalsContact C-CD1 3.44Å; Q184-I618 HydrophobicContact CB-CD1 3.91Å; Q184-I618 WeakPolarHBondContact O-CD1 3.37Å; Q184-Y629 HydrophobicContact CB-CD1 4Å; Q184-Y629 HydrophobicContact CB-CG 4.21Å; Q184-Y629 HydrophobicContact CG-CD1 3.77Å; Q184-Y629 HydrophobicContact CG-CE1 4.5Å; Q184-Y629 HydrophobicContact CG-CG 4.3Å; Q184-Y629 VanDerWaalsContact OE1-CE1 3.26Å
185	S	94.5	Very high	90.3	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-61	-40.5	-179	-57.7	0	0	0	0	112.3	A181 V182 H600 L603 A616 M659	A181-S185 WeakPolarHBondContact O-CB 3.44Å; A181-S185 PolarHBondContact O-N 3.08Å; A181-S185 VanDerWaalsContact O-N 3.14Å; A181-S185 PolarHBondContact O-OG 3.36Å; V182-S185 PolarHBondContact O-N 3.22Å; S185-H600 PolarHBondContact O-NE2 2.84Å; S185-L603 WeakPolarHBondContact OG-CD1 3.22Å; S185-A616 WeakPolarHBondContact OG-CB 3.48Å; S185-M659 VanDerWaalsContact CB-SD 3.58Å
186	L	93.7	Very high	91.2	Very high	9 Å²	9	12.6 Å²	12.6	5%	0.047	6%	0.061	C	C	.	.	H	α-helix	trans	-72.8	-43.1	174.6	-71.8	172	0	0	0	113.2	V182 Q184 N188 L189 F192 L269 F298 M659	V182-L186 HydrophobicContact CG1-CD1 3.85Å; V182-L186 WeakPolarHBondContact O-CG 3.26Å; V182-L186 PolarHBondContact O-N 3.4Å; Q184-L186 VanDerWaalsContact C-N 3.31Å; Q184-L186 PolarHBondContact O-N 3.24Å; L186-N188 VanDerWaalsContact C-N 3.26Å; L186-N188 PolarHBondContact O-N 3.01Å; L186-L189 HydrophobicContact CD2-CD1 4.34Å; L186-L189 WeakPolarHBondContact O-CB 3.25Å; L186-L189 PolarHBondContact O-N 3.26Å; L186-L189 VanDerWaalsContact O-N 3.07Å; L186-F192 HydrophobicContact CB-CD1 3.9Å; L186-F192 HydrophobicContact CB-CE1 3.73Å; L186-F192 HydrophobicContact CB-CZ 4.34Å; L186-F192 HydrophobicContact CD1-CE1 4.41Å; L186-F192 HydrophobicContact CD1-CZ 4.28Å; L186-F192 HydrophobicContact CD2-CZ 4.45Å; L186-F192 HydrophobicContact CG-CE1 4.46Å; L186-F192 WeakPolarHBondContact O-CD1 3.24Å; L186-L269 HydrophobicContact CD1-CD2 3.48Å; L186-L269 VanDerWaalsContact CD1-CD2 3.48Å; L186-L269 HydrophobicContact CD1-CG 4.49Å; L186-F298 HydrophobicContact CD2-CE1 3.83Å; L186-F298 HydrophobicContact CD2-CZ 3.54Å; L186-M659 HydrophobicContact CD2-CE 4.05Å
187	F	93.8	Very high	91.7	Very high	15 Å²	15	12.6 Å²	12.6	7%	0.066	6%	0.06	C	C	.	.	H	α-helix	trans	-60.8	-33.1	-179.2	173.6	-95.1	0	0	0	113.1	I183 Q184 L189 Q193 F228 M231 V232	I183-F187 WeakPolarHBondContact O-CB 3.23Å; I183-F187 PolarHBondContact O-N 3.05Å; Q184-F187 PolarHBondContact O-N 3.23Å; F187-L189 VanDerWaalsContact C-N 3.31Å; F187-Q193 HydrophobicContact CD2-CG 4.27Å; F187-Q193 HydrophobicContact CE2-CG 4.06Å; F187-Q193 PolarHBondContact O-NE2 2.6Å; F187-F228 HydrophobicContact CB-CE1 4.23Å; F187-F228 HydrophobicContact CB-CE2 4.21Å; F187-F228 HydrophobicContact CB-CZ 3.81Å; F187-F228 HydrophobicContact CD2-CB 4.35Å; F187-F228 HydrophobicContact CD2-CD1 4Å; F187-F228 AromaticContact CD2-CD2 3.68Å; F187-F228 HydrophobicContact CD2-CD2 3.68Å; F187-F228 HydrophobicContact CD2-CE1 4.1Å; F187-F228 AromaticContact CD2-CE2 3.8Å; F187-F228 HydrophobicContact CD2-CE2 3.8Å; F187-F228 AromaticContact CD2-CG 3.76Å; F187-F228 HydrophobicContact CD2-CG 3.76Å; F187-F228 AromaticContact CD2-CZ 3.98Å; F187-F228 HydrophobicContact CD2-CZ 3.98Å; F187-F228 HydrophobicContact CE2-CB 4.32Å; F187-F228 HydrophobicContact CE2-CD2 4.26Å; F187-F228 HydrophobicContact CE2-CG 4.22Å; F187-F228 HydrophobicContact CG-CE2 4.48Å; F187-F228 HydrophobicContact CG-CZ 4.42Å; F187-M231 HydrophobicContact CB-CE 3.85Å; F187-M231 HydrophobicContact CD1-CE 3.71Å; F187-M231 HydrophobicContact CD2-CB 4.11Å; F187-M231 HydrophobicContact CD2-CE 3.96Å; F187-M231 HydrophobicContact CD2-SD 4.1Å; F187-M231 HydrophobicContact CE1-CB 4.11Å; F187-M231 HydrophobicContact CE1-CE 4.24Å; F187-M231 HydrophobicContact CE2-CB 3.54Å; F187-M231 HydrophobicContact CE2-CE 4.47Å; F187-M231 HydrophobicContact CE2-SD 4.48Å; F187-M231 HydrophobicContact CG-CE 3.55Å; F187-M231 HydrophobicContact CG-SD 4.29Å; F187-M231 HydrophobicContact CZ-CB 3.53Å; F187-V232 HydrophobicContact CE2-CG2 3.91Å; F187-V232 HydrophobicContact CZ-CG2 3.73Å
188	N	92.7	Very high	91.9	Very high	36 Å²	36	16.2 Å²	16.2	19%	0.193	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-3.5	178.7	-70.1	-82.4	0	0	0	113.4	Q184 L186 L190 H600 I618 Y629	Q184-N188 PolarHBondContact O-N 2.61Å; Q184-N188 VanDerWaalsContact O-N 3.14Å; Q184-N188 PolarHBondContact O-ND2 3.31Å; L186-N188 VanDerWaalsContact C-N 3.26Å; L186-N188 PolarHBondContact O-N 3.01Å; N188-L190 PolarHBondContact O-N 2.97Å; N188-H600 PolarHBondContact O-CE1 3.37Å; N188-I618 HydrophobicContact CB-CD1 4.35Å; N188-I618 HydrophobicContact CB-CG2 3.84Å; N188-Y629 PolarHBondContact OD1-OH 3.08Å
189	L	92.3	Very high	92	Very high	2 Å²	2	15 Å²	15	1%	0.01	8%	0.075	C	C	.	.	S	Bend	trans	-79.2	103.8	161.5	-65.9	166.9	0	0	0	107.8	L186 F187 E191 F192 Q193 F298 V369 M659 I661	L186-L189 HydrophobicContact CD2-CD1 4.34Å; L186-L189 WeakPolarHBondContact O-CB 3.25Å; L186-L189 PolarHBondContact O-N 3.26Å; L186-L189 VanDerWaalsContact O-N 3.07Å; F187-L189 VanDerWaalsContact C-N 3.31Å; L189-E191 PolarHBondContact O-N 2.95Å; L189-F192 HydrophobicContact CB-CB 3.9Å; L189-F192 WeakPolarHBondContact O-CB 3.3Å; L189-F192 PolarHBondContact O-N 2.95Å; L189-Q193 PolarHBondContact O-N 3Å; L189-F298 HydrophobicContact CD1-CE1 4.11Å; L189-F298 HydrophobicContact CD1-CZ 4.21Å; L189-V369 HydrophobicContact CD1-CG1 3.97Å; L189-V369 HydrophobicContact CD1-CG2 4.11Å; L189-V369 HydrophobicContact CD2-CG2 4.23Å; L189-M659 HydrophobicContact CD1-CE 4Å; L189-I661 HydrophobicContact CD2-CG2 3.53Å
190	L	89.7	Confident	91.5	Very high	18 Å²	18	18.1 Å²	18.1	9%	0.094	10%	0.096	C	C	.	.	H	α-helix	trans	-62.3	-31.9	-169.9	-61.2	-171.6	0	0	0	112.9	N188 Q193 R194 L668 E671	N188-L190 PolarHBondContact O-N 2.97Å; L190-Q193 WeakPolarHBondContact O-CB 3.46Å; L190-Q193 PolarHBondContact O-N 3.18Å; L190-R194 WeakPolarHBondContact O-CG 3.47Å; L190-R194 PolarHBondContact O-N 3.43Å; L190-L668 PolarHBondContact N-O 2.95Å; L190-E671 HydrophobicContact CD1-CG 3.74Å
191	E	90.8	Very high	90.5	Very high	49 Å²	49	20.3 Å²	20.3	23%	0.229	11%	0.111	C	C	.	.	H	α-helix	trans	-67.3	-39.6	174.4	-165.4	62.4	-163.5	0	0	112.7	L189 R194 L195 F667 L668	L189-E191 PolarHBondContact O-N 2.95Å; E191-R194 WeakPolarHBondContact O-CB 3.43Å; E191-R194 PolarHBondContact O-N 3.44Å; E191-R194 WeakPolarHBondContact OE2-CD 3.48Å; E191-R194 IonicContact OE2-CZ 2.61Å; E191-R194 IonicContact OE2-NE 3.46Å; E191-R194 IonicContact OE2-NH1 2.71Å; E191-R194 PolarHBondContact OE2-NH1 3.46Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.47Å; E191-L195 PolarHBondContact O-N 3.28Å; E191-F667 HydrophobicContact CB-CD2 4.34Å; E191-F667 HydrophobicContact CG-CD2 3.96Å; E191-F667 HydrophobicContact CG-CE2 4.05Å; E191-L668 HydrophobicContact CB-CD2 4.25Å
192	F	92.1	Very high	89.4	Confident	1 Å²	1	21 Å²	21	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-65.2	-42.4	173.9	-176.3	-97.1	0	0	0	111.1	L186 L189 R194 L195 V196 F228 L273 M294 L297 F298	L186-F192 HydrophobicContact CB-CD1 3.9Å; L186-F192 HydrophobicContact CB-CE1 3.73Å; L186-F192 HydrophobicContact CB-CZ 4.34Å; L186-F192 HydrophobicContact CD1-CE1 4.41Å; L186-F192 HydrophobicContact CD1-CZ 4.28Å; L186-F192 HydrophobicContact CD2-CZ 4.45Å; L186-F192 HydrophobicContact CG-CE1 4.46Å; L186-F192 WeakPolarHBondContact O-CD1 3.24Å; L189-F192 HydrophobicContact CB-CB 3.9Å; L189-F192 WeakPolarHBondContact O-CB 3.3Å; L189-F192 PolarHBondContact O-N 2.95Å; F192-R194 PolarHBondContact O-N 3Å; F192-L195 PolarHBondContact O-N 3.07Å; F192-V196 HydrophobicContact CD1-CG2 4.13Å; F192-V196 HydrophobicContact CE1-CG2 3.73Å; F192-V196 HydrophobicContact CE2-CG2 4.42Å; F192-V196 HydrophobicContact CZ-CG2 3.91Å; F192-V196 WeakPolarHBondContact O-CG2 3.37Å; F192-V196 PolarHBondContact O-N 3.15Å; F192-F228 AromaticContact CD1-CE2 3.83Å; F192-F228 HydrophobicContact CD1-CE2 3.83Å; F192-F228 HydrophobicContact CD1-CZ 4.02Å; F192-F228 AromaticContact CE1-CE2 3.84Å; F192-F228 HydrophobicContact CE1-CE2 3.84Å; F192-F228 AromaticContact CE1-CZ 3.67Å; F192-F228 HydrophobicContact CE1-CZ 3.67Å; F192-L273 HydrophobicContact CE2-CD1 3.87Å; F192-L273 HydrophobicContact CZ-CD1 3.6Å; F192-M294 HydrophobicContact CD2-CE 3.71Å; F192-M294 HydrophobicContact CD2-SD 3.69Å; F192-M294 HydrophobicContact CE2-CE 3.52Å; F192-M294 HydrophobicContact CE2-SD 3.61Å; F192-M294 HydrophobicContact CZ-CE 4.39Å; F192-L297 HydrophobicContact CB-CD2 4.13Å; F192-L297 HydrophobicContact CD2-CD2 4.2Å; F192-F298 AromaticContact CD2-CE2 3.64Å; F192-F298 HydrophobicContact CD2-CE2 3.64Å; F192-F298 AromaticContact CD2-CZ 3.78Å; F192-F298 HydrophobicContact CD2-CZ 3.78Å; F192-F298 AromaticContact CE2-CE2 3.88Å; F192-F298 HydrophobicContact CE2-CE2 3.88Å; F192-F298 HydrophobicContact CE2-CZ 4.18Å; F192-F298 HydrophobicContact CG-CZ 4.46Å
193	Q	92.1	Very high	87.8	Confident	14 Å²	14	25.7 Å²	25.7	7%	0.065	15%	0.154	C	C	.	.	H	α-helix	trans	-56.4	-46.5	174.6	-169.2	-174.1	107.6	0	0	111.8	F187 L189 L190 V196 L197 F228	F187-Q193 HydrophobicContact CD2-CG 4.27Å; F187-Q193 HydrophobicContact CE2-CG 4.06Å; F187-Q193 PolarHBondContact O-NE2 2.6Å; L189-Q193 PolarHBondContact O-N 3Å; L190-Q193 WeakPolarHBondContact O-CB 3.46Å; L190-Q193 PolarHBondContact O-N 3.18Å; Q193-V196 PolarHBondContact O-N 2.68Å; Q193-L197 HydrophobicContact CG-CD1 3.92Å; Q193-L197 WeakPolarHBondContact O-CB 3.36Å; Q193-L197 VanDerWaalsContact O-CG 3.27Å; Q193-L197 WeakPolarHBondContact O-CG 3.43Å; Q193-L197 PolarHBondContact O-N 2.96Å; Q193-F228 HydrophobicContact CG-CD2 4.26Å
194	R	89.8	Confident	86	Confident	39 Å²	39	33.8 Å²	33.8	15%	0.147	19%	0.185	C	C	.	.	H	α-helix	trans	-57.8	-50.7	174	-72.3	169.9	-176.6	110.1	16.1	112.2	L190 E191 F192 V196 L197 N198 F667 E670 E672	L190-R194 WeakPolarHBondContact O-CG 3.47Å; L190-R194 PolarHBondContact O-N 3.43Å; E191-R194 WeakPolarHBondContact O-CB 3.43Å; E191-R194 PolarHBondContact O-N 3.44Å; E191-R194 WeakPolarHBondContact OE2-CD 3.48Å; E191-R194 IonicContact OE2-CZ 2.61Å; E191-R194 IonicContact OE2-NE 3.46Å; E191-R194 IonicContact OE2-NH1 2.71Å; E191-R194 PolarHBondContact OE2-NH1 3.46Å; F192-R194 PolarHBondContact O-N 3Å; R194-V196 VanDerWaalsContact C-N 3.3Å; R194-V196 PolarHBondContact O-N 2.61Å; R194-L197 PolarHBondContact O-N 2.71Å; R194-N198 VanDerWaalsContact O-CB 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 3.17Å; R194-N198 PolarHBondContact O-ND2 3.33Å; R194-N198 VanDerWaalsContact O-ND2 3.16Å; R194-F667 PolarHBondContact NH1-O 3.45Å; R194-E670 PolarHBondContact NH2-O 3.02Å; R194-E672 WeakPolarHBondContact CD-OE1 3.45Å; R194-E672 WeakPolarHBondContact CG-OE1 3.26Å; R194-E672 VanDerWaalsContact NE-CG 3.28Å; R194-E672 IonicContact NE-OE1 3.9Å; R194-E672 PolarHBondContact NE-OE1 3.31Å
195	L	90.9	Very high	84	Confident	33 Å²	33	37.9 Å²	37.9	17%	0.173	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-45.4	-177.3	-72	168.5	0	0	0	110.5	E191 F192 Y199 F277 P293 M294 L297	E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.47Å; E191-L195 PolarHBondContact O-N 3.28Å; F192-L195 PolarHBondContact O-N 3.07Å; L195-Y199 PolarHBondContact O-N 2.86Å; L195-F277 HydrophobicContact CB-CE1 4.09Å; L195-F277 HydrophobicContact CB-CZ 4.03Å; L195-F277 HydrophobicContact CD2-CE1 4.48Å; L195-F277 VanDerWaalsContact O-CZ 3.26Å; L195-F277 WeakPolarHBondContact O-CZ 3.43Å; L195-P293 HydrophobicContact CD1-CB 3.99Å; L195-P293 HydrophobicContact CD2-CB 3.71Å; L195-P293 HydrophobicContact CD2-CG 3.92Å; L195-M294 HydrophobicContact CB-CE 3.9Å; L195-M294 HydrophobicContact CD1-CE 4.18Å; L195-M294 HydrophobicContact CD1-SD 4.29Å; L195-L297 HydrophobicContact CD1-CD2 4.18Å
196	V	92.2	Very high	81.8	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-47.3	178.6	174	0	0	0	0	112.4	F192 Q193 R194 Y199 M221 L224 R225 F228 M294	F192-V196 HydrophobicContact CD1-CG2 4.13Å; F192-V196 HydrophobicContact CE1-CG2 3.73Å; F192-V196 HydrophobicContact CE2-CG2 4.42Å; F192-V196 HydrophobicContact CZ-CG2 3.91Å; F192-V196 WeakPolarHBondContact O-CG2 3.37Å; F192-V196 PolarHBondContact O-N 3.15Å; Q193-V196 PolarHBondContact O-N 2.68Å; R194-V196 VanDerWaalsContact C-N 3.3Å; R194-V196 PolarHBondContact O-N 2.61Å; V196-Y199 VanDerWaalsContact O-CB 3.27Å; V196-Y199 WeakPolarHBondContact O-CB 3.48Å; V196-Y199 PolarHBondContact O-N 3.49Å; V196-M221 HydrophobicContact CB-CE 4.21Å; V196-M221 HydrophobicContact CG1-CE 4.06Å; V196-M221 HydrophobicContact CG2-CE 4.15Å; V196-L224 HydrophobicContact CG1-CD2 4.37Å; V196-L224 HydrophobicContact CG1-CG 4.21Å; V196-L224 HydrophobicContact CG2-CD2 4.45Å; V196-R225 HydrophobicContact CG1-CB 4.33Å; V196-R225 WeakPolarHBondContact O-CG 3.49Å; V196-F228 HydrophobicContact CB-CD2 3.79Å; V196-F228 HydrophobicContact CB-CE2 4.02Å; V196-F228 HydrophobicContact CB-CG 4.5Å; V196-F228 HydrophobicContact CG1-CB 4.26Å; V196-F228 HydrophobicContact CG1-CD1 4.43Å; V196-F228 HydrophobicContact CG1-CD2 3.63Å; V196-F228 HydrophobicContact CG1-CE2 4.12Å; V196-F228 HydrophobicContact CG1-CG 3.84Å; V196-F228 HydrophobicContact CG2-CD2 4.36Å; V196-F228 HydrophobicContact CG2-CE2 4.09Å; V196-M294 HydrophobicContact CG2-CE 4.36Å
197	L	91.4	Very high	79.7	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-41.2	179.8	-70.2	171.8	0	0	0	112.3	Q193 R194 Y199 R225 F228 V232 L687 L691	Q193-L197 HydrophobicContact CG-CD1 3.92Å; Q193-L197 WeakPolarHBondContact O-CB 3.36Å; Q193-L197 VanDerWaalsContact O-CG 3.27Å; Q193-L197 WeakPolarHBondContact O-CG 3.43Å; Q193-L197 PolarHBondContact O-N 2.96Å; R194-L197 PolarHBondContact O-N 2.71Å; L197-Y199 VanDerWaalsContact C-N 3.26Å; L197-Y199 PolarHBondContact O-N 3.31Å; L197-R225 PolarHBondContact O-NE 3.3Å; L197-R225 PolarHBondContact O-NH2 3.13Å; L197-F228 HydrophobicContact CD2-CB 3.9Å; L197-F228 HydrophobicContact CG-CB 4.44Å; L197-V232 HydrophobicContact CD1-CG2 4.31Å; L197-L687 HydrophobicContact CD1-CD2 4.13Å; L197-L687 HydrophobicContact CD2-CD2 3.86Å; L197-L691 HydrophobicContact CB-CD1 4.48Å; L197-L691 HydrophobicContact CD2-CD1 3.67Å
198	N	89.6	Confident	77.6	Confident	81 Å²	81	54.6 Å²	54.6	43%	0.433	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	9.8	178	-63	-49	0	0	0	113.5	R194 K280	R194-N198 VanDerWaalsContact O-CB 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 3.17Å; R194-N198 PolarHBondContact O-ND2 3.33Å; R194-N198 VanDerWaalsContact O-ND2 3.16Å; N198-K280 PolarHBondContact O-NZ 2.92Å
199	Y	88.3	Confident	75.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.317	C	S	.	.			trans	-64	144.7	165.7	-171.3	-102.7	0	0	0	110.1	L195 V196 L197 P201 L218 M221 R225 A276 F277 K280	L195-Y199 PolarHBondContact O-N 2.86Å; V196-Y199 VanDerWaalsContact O-CB 3.27Å; V196-Y199 WeakPolarHBondContact O-CB 3.48Å; V196-Y199 PolarHBondContact O-N 3.49Å; L197-Y199 VanDerWaalsContact C-N 3.26Å; L197-Y199 PolarHBondContact O-N 3.31Å; Y199-P201 HydrophobicContact CE1-CB 4.25Å; Y199-L218 VanDerWaalsContact OH-CD2 3.32Å; Y199-L218 WeakPolarHBondContact OH-CD2 3.18Å; Y199-M221 VanDerWaalsContact CB-CE 3.4Å; Y199-M221 HydrophobicContact CD1-CE 3.94Å; Y199-M221 HydrophobicContact CD1-CG 3.65Å; Y199-M221 HydrophobicContact CD2-CE 3.91Å; Y199-M221 HydrophobicContact CE1-CG 3.71Å; Y199-M221 HydrophobicContact CG-CE 3.47Å; Y199-M221 VanDerWaalsContact CG-CE 3.47Å; Y199-M221 HydrophobicContact CG-CG 4.11Å; Y199-R225 PolarHBondContact O-NE 3.2Å; Y199-A276 VanDerWaalsContact CE2-O 3.27Å; Y199-A276 WeakPolarHBondContact CE2-O 3.34Å; Y199-A276 PolarHBondContact OH-O 3.39Å; Y199-F277 HydrophobicContact CD2-CD1 4.11Å; Y199-F277 HydrophobicContact CD2-CD2 4.4Å; Y199-F277 AromaticContact CD2-CE1 3.75Å; Y199-F277 HydrophobicContact CD2-CE1 3.75Å; Y199-F277 HydrophobicContact CD2-CE2 4.06Å; Y199-F277 HydrophobicContact CD2-CG 4.42Å; Y199-F277 AromaticContact CD2-CZ 3.72Å; Y199-F277 HydrophobicContact CD2-CZ 3.72Å; Y199-F277 HydrophobicContact CE2-CD1 4.49Å; Y199-F277 HydrophobicContact CE2-CG 4.49Å; Y199-F277 HydrophobicContact CG-CZ 4.31Å; Y199-K280 HydrophobicContact CD2-CD 4.25Å; Y199-K280 HydrophobicContact CE2-CB 4.21Å; Y199-K280 HydrophobicContact CE2-CD 4.25Å
200	S	79.9	Confident	73	Confident	65 Å²	65	69.2 Å²	69.2	46%	0.455	36%	0.363	S	S	.	.			trans	-135.7	112.5	180	-43.1	0	0	0	0	106.3	K280	S200-K280 PolarHBondContact OG-NZ 3.31Å
201	P	72.4	Confident	71.2	Confident	51 Å²	51	73.1 Å²	73.1	33%	0.331	38%	0.383	S	S	.	.			trans	-66.3	136	-177.1	26	-33	0	0	0	110.3	Y199 A203 Q222	Y199-P201 HydrophobicContact CE1-CB 4.25Å; P201-A203 PolarHBondContact O-N 3.28Å; P201-Q222 HydrophobicContact CB-CG 4.5Å
202	P	69.2	Low	69.5	Low	17 Å²	17	79.2 Å²	79.2	11%	0.11	41%	0.412	C	S	.	.			trans	-54.1	134.1	-179.4	-30.5	36.9	0	0	0	113.1	R204 V205 E283	P202-R204 PolarHBondContact O-N 3.23Å; P202-V205 WeakPolarHBondContact O-CG2 3.31Å; P202-E283 WeakPolarHBondContact CB-OE2 3.39Å
203	A	59.3	Low	67.6	Low	101 Å²	101	86.9 Å²	86.9	84%	0.835	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-5.7	-173.6	0	0	0	0	0	114.4	P201	P201-A203 PolarHBondContact O-N 3.28Å
204	R	55.5	Low	66	Low	171 Å²	171	88.4 Å²	88.4	65%	0.645	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	43.2	-174.9	-61.6	-167.2	-173	177	6	114.3	P202 L206 D207	P202-R204 PolarHBondContact O-N 3.23Å; R204-L206 PolarHBondContact O-N 3Å; R204-D207 PolarHBondContact O-N 3.16Å; R204-D207 VanDerWaalsContact O-N 3.15Å
205	V	52.9	Low	64.9	Low	88 Å²	88	93.9 Å²	93.9	53%	0.533	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-24.8	173.9	-171.5	0	0	0	0	113.2	P202	P202-V205 WeakPolarHBondContact O-CG2 3.31Å
206	L	50.3	Low	64.1	Low	171 Å²	171	97.1 Å²	97.1	90%	0.895	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-20.2	-177.5	-71.4	166.3	0	0	0	115.7	R204	R204-L206 PolarHBondContact O-N 3Å
207	D	48.6	Very low	63.6	Low	130 Å²	130	97.4 Å²	97.4	70%	0.695	49%	0.491	S	S	*	.	S	Bend	trans	-104.2	-1.9	-174.3	-70.5	-37.9	0	0	0	113.7	R204	R204-D207 PolarHBondContact O-N 3.16Å; R204-D207 VanDerWaalsContact O-N 3.15Å
208	L	50.5	Low	63.2	Low	76 Å²	76	97.9 Å²	97.9	40%	0.398	49%	0.493	S	S	.	.	S	Bend	trans	-74.4	149.9	-176.9	-80	164.1	0	0	0	113	L218	L208-L218 HydrophobicContact CD1-CD1 4.5Å
209	P	44.3	Very low	63	Low	91 Å²	91	96.2 Å²	96.2	59%	0.591	49%	0.487	S	S	*	.			trans	-58.3	142	177.5	-23.9	35	0	0	0	113.1	N211	P209-N211 PolarHBondContact O-N 2.95Å
210	R	44.2	Very low	63	Low	254 Å²	254	96.2 Å²	96.2	96%	0.958	49%	0.487	S	S	*	.			trans	-77.5	64.5	177.9	-81.4	-175.1	163.6	-168.2	-5.1	113.3
211	N	51.5	Low	63.5	Low	99 Å²	99	93.2 Å²	93.2	53%	0.529	47%	0.465	S	S	.	.			trans	-87.3	133.2	162.9	-105.5	-18.3	0	0	0	109.8	P209 K213 E214	P209-N211 PolarHBondContact O-N 2.95Å; N211-K213 VanDerWaalsContact C-N 3.27Å; N211-K213 PolarHBondContact O-N 2.98Å; N211-E214 HydrophobicContact CB-CB 4.48Å; N211-E214 HydrophobicContact CB-CG 4.12Å; N211-E214 WeakPolarHBondContact CB-OE1 3.24Å; N211-E214 PolarHBondContact ND2-OE1 3.26Å
212	Q	54.7	Low	64.2	Low	177 Å²	177	94.5 Å²	94.5	83%	0.827	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-21.8	-176	-71.4	-175.2	-8.3	0	0	114.1
213	K	51.9	Low	65.3	Low	163 Å²	163	95.4 Å²	95.4	71%	0.709	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-57.7	175.7	-69.1	-170.5	172.6	-167.3	0	111.3	N211 H215 R216 N217	N211-K213 VanDerWaalsContact C-N 3.27Å; N211-K213 PolarHBondContact O-N 2.98Å; K213-H215 PolarHBondContact O-N 3.24Å; K213-H215 VanDerWaalsContact O-N 3.08Å; K213-R216 PolarHBondContact O-N 3.02Å; K213-N217 PolarHBondContact O-OD1 3.02Å
214	E	59.3	Low	67	Low	46 Å²	46	90.6 Å²	90.6	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-54.5	-33.9	-172.7	-65.3	164.7	-137.1	0	0	113.2	N211 R216 M279	N211-E214 HydrophobicContact CB-CB 4.48Å; N211-E214 HydrophobicContact CB-CG 4.12Å; N211-E214 WeakPolarHBondContact CB-OE1 3.24Å; N211-E214 PolarHBondContact ND2-OE1 3.26Å; E214-R216 PolarHBondContact O-N 3.42Å; E214-M279 HydrophobicContact CB-CE 3.99Å; E214-M279 HydrophobicContact CG-CE 3.67Å
215	H	65.8	Low	68.8	Low	153 Å²	153	83.6 Å²	83.6	71%	0.708	40%	0.404	S	S	*	.	H	α-helix	trans	-68.7	-13.9	179.1	-160.3	-52.4	0	0	0	114.2	K213 P219	K213-H215 PolarHBondContact O-N 3.24Å; K213-H215 VanDerWaalsContact O-N 3.08Å; H215-P219 WeakPolarHBondContact O-CD 3.2Å; H215-P219 WeakPolarHBondContact O-CG 3.39Å
216	R	74.2	Confident	70.7	Confident	102 Å²	102	81 Å²	81	39%	0.385	39%	0.387	S	S	.	.	H	α-helix	trans	-100.9	-35.1	-178.2	-68.9	179.2	167.2	-164.8	-16.3	113	K213 E214 L218 P219 F220 D250 W272	K213-R216 PolarHBondContact O-N 3.02Å; E214-R216 PolarHBondContact O-N 3.42Å; R216-L218 PolarHBondContact O-N 3Å; R216-P219 WeakPolarHBondContact O-CD 3.4Å; R216-F220 WeakPolarHBondContact O-CB 3.16Å; R216-F220 PolarHBondContact O-N 3.02Å; R216-F220 VanDerWaalsContact O-N 3.17Å; R216-D250 PolarHBondContact NH1-O 3Å; R216-D250 PolarHBondContact NH2-O 2.91Å; R216-W272 HydrophobicContact CB-CH2 4.4Å; R216-W272 HydrophobicContact CB-CZ2 4.44Å
217	N	81.7	Confident	72.9	Confident	5 Å²	5	73.2 Å²	73.2	3%	0.027	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-43.1	-179.4	-54	15.2	0	0	0	111.9	K213 F220 M221 W272 D275	K213-N217 PolarHBondContact O-OD1 3.02Å; N217-F220 PolarHBondContact O-N 3.08Å; N217-M221 WeakPolarHBondContact O-CB 3.19Å; N217-M221 PolarHBondContact O-N 3.28Å; N217-W272 HydrophobicContact CB-CB 4.36Å; N217-W272 HydrophobicContact CB-CG 4.42Å; N217-W272 PolarHBondContact OD1-NE1 3.31Å; N217-D275 WeakPolarHBondContact ND2-CB 3.36Å; N217-D275 PolarHBondContact ND2-OD2 2.96Å
218	L	82.4	Confident	75.1	Confident	14 Å²	14	67 Å²	67	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-65.9	-48.2	-177.7	-72.5	173.1	0	0	0	113.4	Y199 L208 R216 M221 Q222	Y199-L218 VanDerWaalsContact OH-CD2 3.32Å; Y199-L218 WeakPolarHBondContact OH-CD2 3.18Å; L208-L218 HydrophobicContact CD1-CD1 4.5Å; R216-L218 PolarHBondContact O-N 3Å; L218-M221 PolarHBondContact O-N 3Å; L218-Q222 WeakPolarHBondContact O-CG 3.13Å; L218-Q222 PolarHBondContact O-N 3.02Å
219	P	86.1	Confident	77.2	Confident	46 Å²	46	63.4 Å²	63.4	30%	0.299	29%	0.294	S	S	.	.	H	α-helix	trans	-59.5	-41.6	170.9	-27.3	35.9	0	0	0	113.6	H215 R216 M221 Q222 E223 I247	H215-P219 WeakPolarHBondContact O-CD 3.2Å; H215-P219 WeakPolarHBondContact O-CG 3.39Å; R216-P219 WeakPolarHBondContact O-CD 3.4Å; P219-M221 VanDerWaalsContact C-N 3.34Å; P219-M221 PolarHBondContact O-N 3.38Å; P219-Q222 PolarHBondContact O-N 3.48Å; P219-E223 PolarHBondContact O-N 3.4Å; P219-I247 HydrophobicContact CB-CD1 4.16Å
220	F	88.9	Confident	79.6	Confident	1 Å²	1	59.8 Å²	59.8	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-44.8	176.4	178.2	-93.3	0	0	0	111.6	F179 R216 N217 Q222 E223 L224 A244 I247 L248 L269 W272	F179-F220 HydrophobicContact CE2-CE2 4.33Å; F179-F220 HydrophobicContact CE2-CZ 4.42Å; R216-F220 WeakPolarHBondContact O-CB 3.16Å; R216-F220 PolarHBondContact O-N 3.02Å; R216-F220 VanDerWaalsContact O-N 3.17Å; N217-F220 PolarHBondContact O-N 3.08Å; F220-Q222 VanDerWaalsContact C-N 3.31Å; F220-Q222 PolarHBondContact O-N 2.9Å; F220-E223 PolarHBondContact O-N 3.32Å; F220-L224 HydrophobicContact CE1-CB 4.42Å; F220-L224 HydrophobicContact CE1-CD2 4.22Å; F220-L224 WeakPolarHBondContact O-CB 3.43Å; F220-L224 PolarHBondContact O-N 3.32Å; F220-A244 HydrophobicContact CE2-CB 4.18Å; F220-I247 HydrophobicContact CB-CG2 3.92Å; F220-I247 HydrophobicContact CD2-CG2 4.49Å; F220-L248 HydrophobicContact CD2-CB 4.47Å; F220-L248 HydrophobicContact CE2-CB 4.23Å; F220-L248 HydrophobicContact CE2-CD1 4.31Å; F220-L269 HydrophobicContact CE1-CD1 3.45Å; F220-L269 VanDerWaalsContact CE1-CD1 3.45Å; F220-L269 HydrophobicContact CZ-CD1 3.68Å; F220-W272 HydrophobicContact CB-CE3 3.88Å; F220-W272 HydrophobicContact CB-CZ3 3.76Å; F220-W272 AromaticContact CD1-CE3 3.75Å; F220-W272 HydrophobicContact CD1-CE3 3.75Å; F220-W272 HydrophobicContact CD1-CZ3 4.23Å; F220-W272 HydrophobicContact CD2-CE3 4.21Å; F220-W272 AromaticContact CD2-CZ3 3.86Å; F220-W272 HydrophobicContact CD2-CZ3 3.86Å; F220-W272 HydrophobicContact CE1-CE3 4.38Å; F220-W272 AromaticContact CG-CE3 3.65Å; F220-W272 HydrophobicContact CG-CE3 3.65Å; F220-W272 AromaticContact CG-CZ3 3.66Å; F220-W272 HydrophobicContact CG-CZ3 3.66Å
221	M	89.1	Confident	81.9	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-35	177.6	-176.1	56.1	-173.5	0	0	112.6	V196 Y199 N217 L218 P219 L224 R225 L273 A276 F277	V196-M221 HydrophobicContact CB-CE 4.21Å; V196-M221 HydrophobicContact CG1-CE 4.06Å; V196-M221 HydrophobicContact CG2-CE 4.15Å; Y199-M221 VanDerWaalsContact CB-CE 3.4Å; Y199-M221 HydrophobicContact CD1-CE 3.94Å; Y199-M221 HydrophobicContact CD1-CG 3.65Å; Y199-M221 HydrophobicContact CD2-CE 3.91Å; Y199-M221 HydrophobicContact CE1-CG 3.71Å; Y199-M221 HydrophobicContact CG-CE 3.47Å; Y199-M221 VanDerWaalsContact CG-CE 3.47Å; Y199-M221 HydrophobicContact CG-CG 4.11Å; N217-M221 WeakPolarHBondContact O-CB 3.19Å; N217-M221 PolarHBondContact O-N 3.28Å; L218-M221 PolarHBondContact O-N 3Å; P219-M221 VanDerWaalsContact C-N 3.34Å; P219-M221 PolarHBondContact O-N 3.38Å; M221-L224 HydrophobicContact SD-CD2 4.28Å; M221-R225 VanDerWaalsContact O-CB 3.31Å; M221-R225 WeakPolarHBondContact O-CB 3.5Å; M221-R225 PolarHBondContact O-N 2.92Å; M221-L273 HydrophobicContact CE-CD2 4.35Å; M221-L273 HydrophobicContact SD-CD2 3.43Å; M221-L273 WeakPolarHBondContact SD-CD2 3.25Å; M221-A276 HydrophobicContact CB-CB 4.4Å; M221-A276 HydrophobicContact CG-CB 4.36Å; M221-F277 HydrophobicContact CE-CD2 4.49Å; M221-F277 HydrophobicContact CE-CE2 3.39Å; M221-F277 HydrophobicContact CE-CZ 3.6Å; M221-F277 HydrophobicContact SD-CE2 4.29Å
222	Q	88.9	Confident	83.9	Confident	79 Å²	79	43.9 Å²	43.9	37%	0.369	20%	0.204	S	C	.	.	H	α-helix	trans	-65.3	-45.5	173.3	-71.5	173.3	5.8	0	0	111.6	P201 L218 P219 F220 R225 N226	P201-Q222 HydrophobicContact CB-CG 4.5Å; L218-Q222 WeakPolarHBondContact O-CG 3.13Å; L218-Q222 PolarHBondContact O-N 3.02Å; P219-Q222 PolarHBondContact O-N 3.48Å; F220-Q222 VanDerWaalsContact C-N 3.31Å; F220-Q222 PolarHBondContact O-N 2.9Å; Q222-R225 PolarHBondContact O-N 3.37Å; Q222-N226 PolarHBondContact O-N 3.48Å; Q222-N226 PolarHBondContact O-ND2 3.47Å; Q222-N226 PolarHBondContact O-OD1 2.93Å
223	E	91.9	Very high	85.6	Confident	35 Å²	35	35.9 Å²	35.9	16%	0.164	17%	0.169	C	C	.	.	H	α-helix	trans	-70.1	-32.9	177.1	-62.1	-63.8	-168.1	0	0	113.2	P219 F220 N226 L227 R243 A244 I247	P219-E223 PolarHBondContact O-N 3.4Å; F220-E223 PolarHBondContact O-N 3.32Å; E223-N226 PolarHBondContact O-N 2.91Å; E223-N226 PolarHBondContact OE2-ND2 2.99Å; E223-L227 VanDerWaalsContact O-CB 3.31Å; E223-L227 WeakPolarHBondContact O-CB 3.32Å; E223-L227 PolarHBondContact O-N 3.3Å; E223-R243 VanDerWaalsContact CD-NE 3.31Å; E223-R243 VanDerWaalsContact CD-NH2 3.27Å; E223-R243 HydrophobicContact CG-CB 4.28Å; E223-R243 IonicContact OE1-CZ 3.95Å; E223-R243 IonicContact OE1-NE 2.61Å; E223-R243 PolarHBondContact OE1-NE 2.73Å; E223-R243 IonicContact OE1-NH2 3.04Å; E223-R243 PolarHBondContact OE1-NH2 3.05Å; E223-R243 IonicContact OE2-CZ 3.05Å; E223-R243 VanDerWaalsContact OE2-CZ 3.22Å; E223-R243 IonicContact OE2-NE 3.07Å; E223-R243 PolarHBondContact OE2-NE 3.25Å; E223-R243 IonicContact OE2-NH2 3.94Å; E223-R243 PolarHBondContact OE2-NH2 3.22Å; E223-A244 HydrophobicContact CB-CB 4.14Å; E223-I247 HydrophobicContact CB-CD1 4.37Å; E223-I247 HydrophobicContact CG-CD1 3.66Å
224	L	93.6	Very high	87.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.7	-42.5	172.1	-174	67.9	0	0	0	111.3	I183 V196 F220 M221 L227 F228 L273	I183-L224 HydrophobicContact CD1-CD1 3.87Å; V196-L224 HydrophobicContact CG1-CD2 4.37Å; V196-L224 HydrophobicContact CG1-CG 4.21Å; V196-L224 HydrophobicContact CG2-CD2 4.45Å; F220-L224 HydrophobicContact CE1-CB 4.42Å; F220-L224 HydrophobicContact CE1-CD2 4.22Å; F220-L224 WeakPolarHBondContact O-CB 3.43Å; F220-L224 PolarHBondContact O-N 3.32Å; M221-L224 HydrophobicContact SD-CD2 4.28Å; L224-L227 PolarHBondContact O-N 3.28Å; L224-F228 HydrophobicContact CD1-CD1 3.94Å; L224-F228 HydrophobicContact CD1-CE1 3.58Å; L224-F228 HydrophobicContact CD1-CZ 4.47Å; L224-F228 HydrophobicContact CG-CD1 4.16Å; L224-F228 HydrophobicContact CG-CE1 4.05Å; L224-F228 WeakPolarHBondContact O-CB 3.49Å; L224-F228 VanDerWaalsContact O-CD1 3.26Å; L224-F228 WeakPolarHBondContact O-CD1 3.45Å; L224-F228 PolarHBondContact O-N 2.75Å; L224-L273 HydrophobicContact CD2-CD2 3.86Å
225	R	93.2	Very high	89.2	Confident	25 Å²	25	29.9 Å²	29.9	9%	0.094	14%	0.143	C	C	.	.	H	α-helix	trans	-63.1	-40.7	174.5	-177.8	177	179.3	-103.8	-3.1	112.1	V196 L197 Y199 M221 Q222 S229 D690 L691	V196-R225 HydrophobicContact CG1-CB 4.33Å; V196-R225 WeakPolarHBondContact O-CG 3.49Å; L197-R225 PolarHBondContact O-NE 3.3Å; L197-R225 PolarHBondContact O-NH2 3.13Å; Y199-R225 PolarHBondContact O-NE 3.2Å; M221-R225 VanDerWaalsContact O-CB 3.31Å; M221-R225 WeakPolarHBondContact O-CB 3.5Å; M221-R225 PolarHBondContact O-N 2.92Å; Q222-R225 PolarHBondContact O-N 3.37Å; R225-S229 PolarHBondContact O-N 3.06Å; R225-S229 VanDerWaalsContact O-N 3.12Å; R225-D690 IonicContact CZ-OD2 3.58Å; R225-D690 VanDerWaalsContact CZ-OD2 3.29Å; R225-D690 IonicContact NH1-OD2 3.51Å; R225-D690 PolarHBondContact NH1-OD2 2.82Å; R225-D690 IonicContact NH2-OD1 3.38Å; R225-D690 PolarHBondContact NH2-OD1 3.28Å; R225-D690 IonicContact NH2-OD2 3.87Å; R225-D690 PolarHBondContact NH2-OD2 3.46Å; R225-L691 HydrophobicContact CG-CD1 3.74Å; R225-L691 HydrophobicContact CG-CD2 4.12Å
226	N	93.9	Very high	90.5	Very high	33 Å²	33	25 Å²	25	18%	0.176	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-50.1	172.7	-65.1	-21.6	0	0	0	111	Q222 E223 F228 S229 L230 Y694	Q222-N226 PolarHBondContact O-N 3.48Å; Q222-N226 PolarHBondContact O-ND2 3.47Å; Q222-N226 PolarHBondContact O-OD1 2.93Å; E223-N226 PolarHBondContact O-N 2.91Å; E223-N226 PolarHBondContact OE2-ND2 2.99Å; N226-F228 VanDerWaalsContact C-N 3.35Å; N226-F228 PolarHBondContact O-N 3.13Å; N226-S229 PolarHBondContact O-N 3.17Å; N226-S229 VanDerWaalsContact O-N 3.14Å; N226-S229 PolarHBondContact O-OG 3.04Å; N226-L230 PolarHBondContact O-N 3.24Å; N226-L230 VanDerWaalsContact O-N 3.17Å; N226-Y694 HydrophobicContact CB-CE1 3.88Å
227	L	95.4	Very high	91.4	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-45.4	178.6	-179.5	59.9	0	0	0	111.7	L170 F179 I183 E223 L224 S229 L230 M231 V239 P241	L170-L227 HydrophobicContact CD2-CD1 3.86Å; F179-L227 HydrophobicContact CE1-CD2 4.06Å; F179-L227 HydrophobicContact CZ-CD2 4.4Å; I183-L227 HydrophobicContact CG2-CD2 4.35Å; E223-L227 VanDerWaalsContact O-CB 3.31Å; E223-L227 WeakPolarHBondContact O-CB 3.32Å; E223-L227 PolarHBondContact O-N 3.3Å; L224-L227 PolarHBondContact O-N 3.28Å; L227-S229 VanDerWaalsContact C-N 3.31Å; L227-S229 PolarHBondContact O-N 2.91Å; L227-L230 PolarHBondContact O-N 3.22Å; L227-M231 HydrophobicContact CD1-CG 4.42Å; L227-M231 HydrophobicContact CD1-SD 4.37Å; L227-M231 HydrophobicContact CG-SD 4.01Å; L227-M231 WeakPolarHBondContact O-CG 2.89Å; L227-M231 PolarHBondContact O-N 2.73Å; L227-V239 HydrophobicContact CD1-CB 4.4Å; L227-V239 HydrophobicContact CD1-CG1 3.57Å; L227-P241 HydrophobicContact CD1-CB 4.44Å; L227-P241 HydrophobicContact CD2-CB 4.04Å
228	F	95.4	Very high	91.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-39.7	177.1	-87.8	40.3	0	0	0	111.7	I183 F187 F192 Q193 V196 L197 L224 N226 L230 M231 V232	I183-F228 HydrophobicContact CG2-CE1 3.98Å; F187-F228 HydrophobicContact CB-CE1 4.23Å; F187-F228 HydrophobicContact CB-CE2 4.21Å; F187-F228 HydrophobicContact CB-CZ 3.81Å; F187-F228 HydrophobicContact CD2-CB 4.35Å; F187-F228 HydrophobicContact CD2-CD1 4Å; F187-F228 AromaticContact CD2-CD2 3.68Å; F187-F228 HydrophobicContact CD2-CD2 3.68Å; F187-F228 HydrophobicContact CD2-CE1 4.1Å; F187-F228 AromaticContact CD2-CE2 3.8Å; F187-F228 HydrophobicContact CD2-CE2 3.8Å; F187-F228 AromaticContact CD2-CG 3.76Å; F187-F228 HydrophobicContact CD2-CG 3.76Å; F187-F228 AromaticContact CD2-CZ 3.98Å; F187-F228 HydrophobicContact CD2-CZ 3.98Å; F187-F228 HydrophobicContact CE2-CB 4.32Å; F187-F228 HydrophobicContact CE2-CD2 4.26Å; F187-F228 HydrophobicContact CE2-CG 4.22Å; F187-F228 HydrophobicContact CG-CE2 4.48Å; F187-F228 HydrophobicContact CG-CZ 4.42Å; F192-F228 AromaticContact CD1-CE2 3.83Å; F192-F228 HydrophobicContact CD1-CE2 3.83Å; F192-F228 HydrophobicContact CD1-CZ 4.02Å; F192-F228 AromaticContact CE1-CE2 3.84Å; F192-F228 HydrophobicContact CE1-CE2 3.84Å; F192-F228 AromaticContact CE1-CZ 3.67Å; F192-F228 HydrophobicContact CE1-CZ 3.67Å; Q193-F228 HydrophobicContact CG-CD2 4.26Å; V196-F228 HydrophobicContact CB-CD2 3.79Å; V196-F228 HydrophobicContact CB-CE2 4.02Å; V196-F228 HydrophobicContact CB-CG 4.5Å; V196-F228 HydrophobicContact CG1-CB 4.26Å; V196-F228 HydrophobicContact CG1-CD1 4.43Å; V196-F228 HydrophobicContact CG1-CD2 3.63Å; V196-F228 HydrophobicContact CG1-CE2 4.12Å; V196-F228 HydrophobicContact CG1-CG 3.84Å; V196-F228 HydrophobicContact CG2-CD2 4.36Å; V196-F228 HydrophobicContact CG2-CE2 4.09Å; L197-F228 HydrophobicContact CD2-CB 3.9Å; L197-F228 HydrophobicContact CG-CB 4.44Å; L224-F228 HydrophobicContact CD1-CD1 3.94Å; L224-F228 HydrophobicContact CD1-CE1 3.58Å; L224-F228 HydrophobicContact CD1-CZ 4.47Å; L224-F228 HydrophobicContact CG-CD1 4.16Å; L224-F228 HydrophobicContact CG-CE1 4.05Å; L224-F228 WeakPolarHBondContact O-CB 3.49Å; L224-F228 VanDerWaalsContact O-CD1 3.26Å; L224-F228 WeakPolarHBondContact O-CD1 3.45Å; L224-F228 PolarHBondContact O-N 2.75Å; N226-F228 VanDerWaalsContact C-N 3.35Å; N226-F228 PolarHBondContact O-N 3.13Å; F228-L230 PolarHBondContact O-N 3.27Å; F228-M231 PolarHBondContact O-N 3.49Å; F228-V232 WeakPolarHBondContact O-CG2 3.11Å; F228-V232 PolarHBondContact O-N 2.85Å
229	S	94.4	Very high	92.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	-40.9	177	74.7	0	0	0	0	112.7	R225 N226 L227 V232 G233 V695	R225-S229 PolarHBondContact O-N 3.06Å; R225-S229 VanDerWaalsContact O-N 3.12Å; N226-S229 PolarHBondContact O-N 3.17Å; N226-S229 VanDerWaalsContact O-N 3.14Å; N226-S229 PolarHBondContact O-OG 3.04Å; L227-S229 VanDerWaalsContact C-N 3.31Å; L227-S229 PolarHBondContact O-N 2.91Å; S229-V232 PolarHBondContact O-N 2.79Å; S229-G233 PolarHBondContact O-N 3.44Å; S229-V695 VanDerWaalsContact C-CG2 3.42Å; S229-V695 WeakPolarHBondContact O-CG2 3.15Å; S229-V695 VanDerWaalsContact OG-CG2 3.25Å; S229-V695 WeakPolarHBondContact OG-CG2 3.19Å
230	L	94.7	Very high	92.8	Very high	15 Å²	15	26 Å²	26	8%	0.079	12%	0.124	C	C	.	.	H	α-helix	trans	-68.2	-40.3	176.5	-65.7	167.7	0	0	0	111.6	N226 L227 F228 V232 G233 S234 V239 Y694 V695 D698	N226-L230 PolarHBondContact O-N 3.24Å; N226-L230 VanDerWaalsContact O-N 3.17Å; L227-L230 PolarHBondContact O-N 3.22Å; F228-L230 PolarHBondContact O-N 3.27Å; L230-V232 VanDerWaalsContact C-N 3.26Å; L230-V232 PolarHBondContact O-N 3.23Å; L230-G233 PolarHBondContact O-N 2.78Å; L230-S234 WeakPolarHBondContact O-CB 3.3Å; L230-S234 PolarHBondContact O-N 2.82Å; L230-V239 HydrophobicContact CB-CB 4.48Å; L230-V239 HydrophobicContact CB-CG1 3.88Å; L230-V239 HydrophobicContact CB-CG2 3.8Å; L230-V239 HydrophobicContact CD1-CG1 3.86Å; L230-Y694 HydrophobicContact CD1-CE1 3.9Å; L230-Y694 HydrophobicContact CD2-CE1 4.16Å; L230-Y694 HydrophobicContact CG-CE1 3.93Å; L230-V695 HydrophobicContact CD2-CG1 4.45Å; L230-V695 HydrophobicContact CD2-CG2 4.09Å; L230-V695 HydrophobicContact CG-CG2 4.44Å; L230-D698 HydrophobicContact CD2-CB 3.75Å
231	M	94	Very high	93.1	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.015	13%	0.125	C	C	.	.	H	α-helix	trans	-63.3	-30.1	175.1	-70.2	173.9	72	0	0	113	V168 L170 I183 Q184 F187 L227 F228	V168-M231 VanDerWaalsContact CG2-O 3.24Å; V168-M231 WeakPolarHBondContact CG2-O 3.5Å; L170-M231 HydrophobicContact CD1-CE 4.26Å; L170-M231 HydrophobicContact CD1-SD 4.36Å; L170-M231 HydrophobicContact CD2-CG 4.25Å; L170-M231 HydrophobicContact CD2-SD 4.01Å; L170-M231 HydrophobicContact CG-CE 4.42Å; I183-M231 HydrophobicContact CG2-CE 4.47Å; I183-M231 HydrophobicContact CG2-SD 4.23Å; Q184-M231 HydrophobicContact CG-CE 4.47Å; F187-M231 HydrophobicContact CB-CE 3.85Å; F187-M231 HydrophobicContact CD1-CE 3.71Å; F187-M231 HydrophobicContact CD2-CB 4.11Å; F187-M231 HydrophobicContact CD2-CE 3.96Å; F187-M231 HydrophobicContact CD2-SD 4.1Å; F187-M231 HydrophobicContact CE1-CB 4.11Å; F187-M231 HydrophobicContact CE1-CE 4.24Å; F187-M231 HydrophobicContact CE2-CB 3.54Å; F187-M231 HydrophobicContact CE2-CE 4.47Å; F187-M231 HydrophobicContact CE2-SD 4.48Å; F187-M231 HydrophobicContact CG-CE 3.55Å; F187-M231 HydrophobicContact CG-SD 4.29Å; F187-M231 HydrophobicContact CZ-CB 3.53Å; L227-M231 HydrophobicContact CD1-CG 4.42Å; L227-M231 HydrophobicContact CD1-SD 4.37Å; L227-M231 HydrophobicContact CG-SD 4.01Å; L227-M231 WeakPolarHBondContact O-CG 2.89Å; L227-M231 PolarHBondContact O-N 2.73Å; F228-M231 PolarHBondContact O-N 3.49Å
232	V	92	Very high	93.1	Very high	15 Å²	15	27.3 Å²	27.3	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-72.2	-59.2	170.1	171	0	0	0	0	110.7	R162 F187 L197 F228 S229 L230 G683 L687	R162-V232 PolarHBondContact NH1-O 3.01Å; F187-V232 HydrophobicContact CE2-CG2 3.91Å; F187-V232 HydrophobicContact CZ-CG2 3.73Å; L197-V232 HydrophobicContact CD1-CG2 4.31Å; F228-V232 WeakPolarHBondContact O-CG2 3.11Å; F228-V232 PolarHBondContact O-N 2.85Å; S229-V232 PolarHBondContact O-N 2.79Å; L230-V232 VanDerWaalsContact C-N 3.26Å; L230-V232 PolarHBondContact O-N 3.23Å; V232-G683 WeakPolarHBondContact CG1-O 3.27Å; V232-L687 HydrophobicContact CB-CD2 4.12Å; V232-L687 HydrophobicContact CG1-CD2 4.1Å; V232-L687 HydrophobicContact CG1-CG 4.24Å; V232-L687 HydrophobicContact CG2-CD2 4.43Å
233	G	90.8	Very high	93.1	Very high	10 Å²	10	29.5 Å²	29.5	10%	0.103	14%	0.138	C	C	.	.	H	α-helix	trans	-111.8	-1.3	-159	0	0	0	0	0	118	S229 L230 V695 N699	S229-G233 PolarHBondContact O-N 3.44Å; L230-G233 PolarHBondContact O-N 2.78Å; G233-V695 WeakPolarHBondContact O-CG1 3.45Å; G233-N699 PolarHBondContact O-ND2 3.44Å
234	S	92.9	Very high	92.9	Very high	2 Å²	2	28 Å²	28	1%	0.014	13%	0.131	C	C	.	.			trans	-73.4	144.3	179.5	-170.7	0	0	0	0	112.1	R162 L230 R236 D698 N699	R162-S234 WeakPolarHBondContact CD-O 3.37Å; R162-S234 PolarHBondContact NH1-O 3.18Å; L230-S234 WeakPolarHBondContact O-CB 3.3Å; L230-S234 PolarHBondContact O-N 2.82Å; S234-R236 VanDerWaalsContact C-N 3.29Å; S234-R236 WeakPolarHBondContact OG-CG 3.32Å; S234-R236 PolarHBondContact OG-N 3.04Å; S234-D698 PolarHBondContact OG-OD2 3.41Å; S234-N699 WeakPolarHBondContact CA-OD1 3.44Å
235	K	93.1	Very high	92.6	Very high	81 Å²	81	28 Å²	28	35%	0.352	13%	0.131	S	C	.	.	S	Bend	trans	-78.3	-8.8	169.4	-70.9	173.2	174.8	-176.2	0	112.7	R162 N699 F702 D703	R162-K235 WeakPolarHBondContact CB-O 3.31Å; R162-K235 PolarHBondContact N-O 3.1Å; K235-N699 VanDerWaalsContact CB-OD1 3.31Å; K235-N699 WeakPolarHBondContact CB-OD1 3.39Å; K235-N699 HydrophobicContact CD-CB 4Å; K235-N699 HydrophobicContact CG-CB 4.37Å; K235-N699 VanDerWaalsContact CG-OD1 3.3Å; K235-N699 WeakPolarHBondContact CG-OD1 3.26Å; K235-N699 PolarHBondContact N-OD1 3.28Å; K235-F702 HydrophobicContact CB-CD1 3.95Å; K235-F702 HydrophobicContact CB-CE1 4.35Å; K235-D703 IonicContact NZ-OD1 2.76Å; K235-D703 PolarHBondContact NZ-OD1 3.45Å; K235-D703 IonicContact NZ-OD2 3.95Å; K235-D703 PolarHBondContact NZ-OD2 2.88Å
236	R	93.6	Very high	92.2	Very high	49 Å²	49	32.1 Å²	32.1	19%	0.185	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-77.5	141.7	175.6	-57.5	179.4	-168.7	-90.9	3.1	110	S234 Y238 D698 F702 E705	S234-R236 VanDerWaalsContact C-N 3.29Å; S234-R236 WeakPolarHBondContact OG-CG 3.32Å; S234-R236 PolarHBondContact OG-N 3.04Å; R236-Y238 VanDerWaalsContact CB-O 3.23Å; R236-Y238 WeakPolarHBondContact CB-O 3.35Å; R236-Y238 PolarHBondContact O-N 3.19Å; R236-D698 IonicContact CZ-OD1 3.84Å; R236-D698 VanDerWaalsContact CZ-OD1 3.24Å; R236-D698 IonicContact NE-OD1 3.49Å; R236-D698 PolarHBondContact NE-OD1 3.22Å; R236-D698 IonicContact NE-OD2 3.39Å; R236-D698 PolarHBondContact NE-OD2 3.26Å; R236-D698 IonicContact NH2-OD1 2.64Å; R236-D698 PolarHBondContact NH2-OD1 3.4Å; R236-F702 HydrophobicContact CG-CB 4.34Å; R236-F702 HydrophobicContact CG-CD1 3.99Å; R236-F702 HydrophobicContact CG-CD2 4.04Å; R236-F702 HydrophobicContact CG-CE1 4.28Å; R236-F702 HydrophobicContact CG-CE2 4.33Å; R236-F702 HydrophobicContact CG-CG 3.86Å; R236-F702 HydrophobicContact CG-CZ 4.44Å; R236-F702 VanDerWaalsContact NH1-CD2 3.29Å; R236-E705 IonicContact CZ-OE2 2.72Å; R236-E705 IonicContact NH1-OE2 3.05Å; R236-E705 PolarHBondContact NH1-OE2 3.04Å
237	K	92.8	Very high	91.7	Very high	87 Å²	87	32.5 Å²	32.5	38%	0.378	15%	0.153	S	C	.	.	S	Bend	trans	-60	-31.6	177.1	177.3	-177.9	173.2	-173.5	0	112.3	R160 G169	R160-K237 VanDerWaalsContact O-CB 3.26Å; R160-K237 WeakPolarHBondContact O-CB 3.27Å; R160-K237 PolarHBondContact O-N 3.15Å; G169-K237 PolarHBondContact N-O 3.1Å
238	Y	93.8	Very high	90.9	Very high	22 Å²	22	32.1 Å²	32.1	9%	0.086	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	163.4	176.4	64	-98.9	0	0	0	109.9	D153 R160 G169 K171 R236 I632	D153-Y238 PolarHBondContact OD1-OH 2.97Å; D153-Y238 PolarHBondContact OD2-OH 2.61Å; R160-Y238 WeakPolarHBondContact CD-OH 3.32Å; R160-Y238 HydrophobicContact CG-CE1 4.25Å; G169-Y238 CarbonylContact O-C 3.53Å; G169-Y238 WeakPolarHBondContact O-CA 3.38Å; G169-Y238 WeakPolarHBondContact O-CB 2.9Å; K171-Y238 HydrophobicContact CB-CD2 3.99Å; K171-Y238 HydrophobicContact CB-CE2 4.29Å; K171-Y238 HydrophobicContact CD-CD2 4.47Å; K171-Y238 HydrophobicContact CD-CE2 3.94Å; R236-Y238 VanDerWaalsContact CB-O 3.23Å; R236-Y238 WeakPolarHBondContact CB-O 3.35Å; R236-Y238 PolarHBondContact O-N 3.19Å; Y238-I632 HydrophobicContact CD1-CB 3.68Å; Y238-I632 HydrophobicContact CD1-CD1 3.98Å; Y238-I632 HydrophobicContact CD1-CG1 4.42Å; Y238-I632 HydrophobicContact CD1-CG2 3.73Å; Y238-I632 HydrophobicContact CD2-CG2 3.89Å; Y238-I632 HydrophobicContact CE1-CD1 4.11Å; Y238-I632 HydrophobicContact CE1-CG2 4.42Å; Y238-I632 HydrophobicContact CG-CB 3.75Å; Y238-I632 HydrophobicContact CG-CG2 3.43Å; Y238-I632 VanDerWaalsContact CG-CG2 3.43Å
239	V	94.6	Very high	90	Very high	8 Å²	8	35.5 Å²	35.5	5%	0.048	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	152.4	174.2	171.5	0	0	0	0	109.8	V168 G169 L170 K171 L227 L230 P241	V168-V239 HydrophobicContact CG1-CB 4.21Å; V168-V239 HydrophobicContact CG1-CG2 3.65Å; G169-V239 PolarHBondContact O-N 2.91Å; L170-V239 WeakPolarHBondContact CA-O 3.49Å; L170-V239 HydrophobicContact CD2-CB 4.45Å; K171-V239 PolarHBondContact N-O 3.25Å; L227-V239 HydrophobicContact CD1-CB 4.4Å; L227-V239 HydrophobicContact CD1-CG1 3.57Å; L230-V239 HydrophobicContact CB-CB 4.48Å; L230-V239 HydrophobicContact CB-CG1 3.88Å; L230-V239 HydrophobicContact CB-CG2 3.8Å; L230-V239 HydrophobicContact CD1-CG1 3.86Å; V239-P241 WeakPolarHBondContact O-CD 3.4Å
240	D	92.4	Very high	88.8	Confident	73 Å²	73	39.1 Å²	39.1	39%	0.39	19%	0.185	S	C	.	.			trans	-91.5	116.1	179.5	-163	-44.1	0	0	0	111.2	K171 S242	K171-D240 WeakPolarHBondContact CD-OD2 3.49Å; D240-S242 VanDerWaalsContact C-N 3.33Å; D240-S242 WeakPolarHBondContact OD1-CB 3.37Å; D240-S242 PolarHBondContact OD1-N 3.47Å; D240-S242 PolarHBondContact OD1-OG 3.12Å
241	P	93.5	Very high	87.6	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.026	18%	0.184	C	C	.	.			trans	-85.1	2.5	-178.6	35.1	-34.8	0	0	0	114.1	K171 V173 F179 L227 V239 R243 A244 V245	K171-P241 WeakPolarHBondContact O-CD 3.3Å; K171-P241 WeakPolarHBondContact O-CG 3.15Å; V173-P241 HydrophobicContact CG2-CG 3.86Å; F179-P241 HydrophobicContact CD1-CB 4.04Å; F179-P241 HydrophobicContact CD1-CG 4.43Å; F179-P241 HydrophobicContact CE1-CB 3.6Å; F179-P241 HydrophobicContact CE1-CG 4.47Å; L227-P241 HydrophobicContact CD1-CB 4.44Å; L227-P241 HydrophobicContact CD2-CB 4.04Å; V239-P241 WeakPolarHBondContact O-CD 3.4Å; P241-R243 VanDerWaalsContact C-N 3.28Å; P241-R243 PolarHBondContact O-N 2.85Å; P241-A244 PolarHBondContact O-N 3.23Å; P241-V245 HydrophobicContact CB-CG2 4.12Å; P241-V245 HydrophobicContact CG-CG2 4.32Å; P241-V245 PolarHBondContact O-N 2.86Å; P241-V245 VanDerWaalsContact O-N 3.14Å
242	S	89.4	Confident	86.2	Confident	25 Å²	25	39.2 Å²	39.2	18%	0.175	19%	0.186	C	C	.	.	H	α-helix	trans	-46.8	-44.9	-169.1	-65.7	0	0	0	0	114.1	V173 D240 A244 V245 E246	V173-S242 VanDerWaalsContact CG1-OG 3.26Å; V173-S242 WeakPolarHBondContact CG1-OG 3.31Å; V173-S242 VanDerWaalsContact CG2-OG 3.3Å; V173-S242 WeakPolarHBondContact CG2-OG 3.33Å; D240-S242 VanDerWaalsContact C-N 3.33Å; D240-S242 WeakPolarHBondContact OD1-CB 3.37Å; D240-S242 PolarHBondContact OD1-N 3.47Å; D240-S242 PolarHBondContact OD1-OG 3.12Å; S242-A244 PolarHBondContact O-N 2.89Å; S242-V245 CarbonylContact O-C 3.57Å; S242-V245 PolarHBondContact O-N 3.03Å; S242-V245 VanDerWaalsContact O-N 3.14Å; S242-E246 WeakPolarHBondContact O-CB 3.43Å; S242-E246 VanDerWaalsContact O-CG 3.3Å; S242-E246 WeakPolarHBondContact O-CG 3.45Å; S242-E246 PolarHBondContact O-N 2.76Å
243	R	89.2	Confident	84.7	Confident	125 Å²	125	46.1 Å²	46.1	47%	0.472	22%	0.215	S	C	.	.	H	α-helix	trans	-57.9	-42.5	-178.9	-69.4	170.3	65.3	174.2	-1.3	113.5	E223 P241 I247	E223-R243 VanDerWaalsContact CD-NE 3.31Å; E223-R243 VanDerWaalsContact CD-NH2 3.27Å; E223-R243 HydrophobicContact CG-CB 4.28Å; E223-R243 IonicContact OE1-CZ 3.95Å; E223-R243 IonicContact OE1-NE 2.61Å; E223-R243 PolarHBondContact OE1-NE 2.73Å; E223-R243 IonicContact OE1-NH2 3.04Å; E223-R243 PolarHBondContact OE1-NH2 3.05Å; E223-R243 IonicContact OE2-CZ 3.05Å; E223-R243 VanDerWaalsContact OE2-CZ 3.22Å; E223-R243 IonicContact OE2-NE 3.07Å; E223-R243 PolarHBondContact OE2-NE 3.25Å; E223-R243 IonicContact OE2-NH2 3.94Å; E223-R243 PolarHBondContact OE2-NH2 3.22Å; P241-R243 VanDerWaalsContact C-N 3.28Å; P241-R243 PolarHBondContact O-N 2.85Å; R243-I247 WeakPolarHBondContact O-CG1 3.44Å
244	A	88.5	Confident	82.7	Confident	3 Å²	3	50.5 Å²	50.5	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-74.2	-38.4	177.1	0	0	0	0	0	111.4	F179 F220 E223 P241 S242 L248	F179-A244 HydrophobicContact CZ-CB 3.92Å; F220-A244 HydrophobicContact CE2-CB 4.18Å; E223-A244 HydrophobicContact CB-CB 4.14Å; P241-A244 PolarHBondContact O-N 3.23Å; S242-A244 PolarHBondContact O-N 2.89Å; A244-L248 WeakPolarHBondContact O-CB 3.4Å; A244-L248 PolarHBondContact O-N 3.39Å
245	V	86	Confident	80.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-33.1	178.9	171.8	0	0	0	0	112.2	T176 F179 P241 S242 K249	T176-V245 HydrophobicContact CG2-CG1 3.97Å; F179-V245 HydrophobicContact CB-CG2 4.39Å; F179-V245 HydrophobicContact CD1-CG2 3.66Å; F179-V245 HydrophobicContact CD2-CG2 3.84Å; F179-V245 HydrophobicContact CE1-CG2 3.77Å; F179-V245 HydrophobicContact CE2-CG2 3.95Å; F179-V245 HydrophobicContact CG-CG2 3.7Å; F179-V245 HydrophobicContact CZ-CG2 3.92Å; P241-V245 HydrophobicContact CB-CG2 4.12Å; P241-V245 HydrophobicContact CG-CG2 4.32Å; P241-V245 PolarHBondContact O-N 2.86Å; P241-V245 VanDerWaalsContact O-N 3.14Å; S242-V245 CarbonylContact O-C 3.57Å; S242-V245 PolarHBondContact O-N 3.03Å; S242-V245 VanDerWaalsContact O-N 3.14Å; V245-K249 HydrophobicContact CG1-CD 3.88Å; V245-K249 VanDerWaalsContact CG1-CE 3.4Å; V245-K249 HydrophobicContact CG1-CG 4.36Å; V245-K249 WeakPolarHBondContact O-CB 3.39Å; V245-K249 VanDerWaalsContact O-CG 3.24Å; V245-K249 WeakPolarHBondContact O-CG 3.47Å; V245-K249 PolarHBondContact O-N 3.43Å
246	E	85.4	Confident	77.6	Confident	112 Å²	112	58.4 Å²	58.4	52%	0.523	29%	0.29	S	S	.	.	H	α-helix	trans	-69.2	-48.5	177.4	-78	170.1	-178.3	0	0	112.2	S242 L248 K249 D250	S242-E246 WeakPolarHBondContact O-CB 3.43Å; S242-E246 VanDerWaalsContact O-CG 3.3Å; S242-E246 WeakPolarHBondContact O-CG 3.45Å; S242-E246 PolarHBondContact O-N 2.76Å; E246-L248 PolarHBondContact O-N 2.92Å; E246-K249 PolarHBondContact O-N 3.02Å; E246-D250 PolarHBondContact O-N 2.95Å
247	I	84.4	Confident	75	Confident	40 Å²	40	61.4 Å²	61.4	21%	0.205	32%	0.318	C	S	.	.	H	α-helix	trans	-57.1	-39.8	175	-62.5	167.8	0	0	0	110.6	P219 F220 E223 R243 A251	P219-I247 HydrophobicContact CB-CD1 4.16Å; F220-I247 HydrophobicContact CB-CG2 3.92Å; F220-I247 HydrophobicContact CD2-CG2 4.49Å; E223-I247 HydrophobicContact CB-CD1 4.37Å; E223-I247 HydrophobicContact CG-CD1 3.66Å; R243-I247 WeakPolarHBondContact O-CG1 3.44Å; I247-A251 PolarHBondContact O-N 3.5Å
248	L	78.9	Confident	72.6	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.9	-50.5	176.8	-173.1	78.6	0	0	0	112	W178 F179 F220 A244 E246 D250 A251 F252 F265 W272	W178-L248 HydrophobicContact CH2-CD2 3.71Å; W178-L248 HydrophobicContact CZ3-CD2 3.76Å; F179-L248 HydrophobicContact CD2-CD2 4.04Å; F179-L248 HydrophobicContact CE2-CD2 4.28Å; F220-L248 HydrophobicContact CD2-CB 4.47Å; F220-L248 HydrophobicContact CE2-CB 4.23Å; F220-L248 HydrophobicContact CE2-CD1 4.31Å; A244-L248 WeakPolarHBondContact O-CB 3.4Å; A244-L248 PolarHBondContact O-N 3.39Å; E246-L248 PolarHBondContact O-N 2.92Å; L248-D250 VanDerWaalsContact C-N 3.29Å; L248-D250 PolarHBondContact O-N 3.11Å; L248-A251 WeakPolarHBondContact O-CA 3.45Å; L248-A251 WeakPolarHBondContact O-CB 3.23Å; L248-A251 PolarHBondContact O-N 3.07Å; L248-F252 HydrophobicContact CD1-CD2 4.49Å; L248-F252 HydrophobicContact CD1-CE2 3.81Å; L248-F252 HydrophobicContact CD2-CE2 4.34Å; L248-F252 HydrophobicContact CG-CD2 4.13Å; L248-F252 HydrophobicContact CG-CE2 3.77Å; L248-F252 VanDerWaalsContact O-CD2 3.27Å; L248-F252 WeakPolarHBondContact O-CD2 3.45Å; L248-F252 PolarHBondContact O-N 3.12Å; L248-F265 HydrophobicContact CD1-CD2 4.02Å; L248-F265 HydrophobicContact CD1-CE2 3.76Å; L248-F265 HydrophobicContact CD2-CD2 3.59Å; L248-F265 HydrophobicContact CD2-CE2 3.32Å; L248-F265 HydrophobicContact CD2-CZ 4.14Å; L248-F265 HydrophobicContact CG-CD2 4.39Å; L248-F265 HydrophobicContact CG-CE2 4.19Å; L248-W272 HydrophobicContact CD1-CE3 4.43Å; L248-W272 HydrophobicContact CD1-CH2 4.32Å; L248-W272 HydrophobicContact CD1-CZ3 3.93Å
249	K	75.4	Confident	70.4	Confident	71 Å²	71	68.4 Å²	68.4	31%	0.309	35%	0.353	S	S	.	.	H	α-helix	trans	-55	-43.2	176.6	-78.5	167.9	178.6	168.8	0	111.3	V173 V245 E246 A251 F252 K253	V173-K249 PolarHBondContact O-NZ 3.23Å; V245-K249 HydrophobicContact CG1-CD 3.88Å; V245-K249 VanDerWaalsContact CG1-CE 3.4Å; V245-K249 HydrophobicContact CG1-CG 4.36Å; V245-K249 WeakPolarHBondContact O-CB 3.39Å; V245-K249 VanDerWaalsContact O-CG 3.24Å; V245-K249 WeakPolarHBondContact O-CG 3.47Å; V245-K249 PolarHBondContact O-N 3.43Å; E246-K249 PolarHBondContact O-N 3.02Å; K249-A251 PolarHBondContact O-N 3.24Å; K249-F252 PolarHBondContact O-N 3.14Å; K249-K253 WeakPolarHBondContact O-CG 3.28Å; K249-K253 PolarHBondContact O-N 3.33Å
250	D	69.8	Low	68.5	Low	77 Å²	77	70.3 Å²	70.3	41%	0.412	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.3	176.8	-87	8.2	0	0	0	114.5	R216 E246 L248 K253	R216-D250 PolarHBondContact NH1-O 3Å; R216-D250 PolarHBondContact NH2-O 2.91Å; E246-D250 PolarHBondContact O-N 2.95Å; L248-D250 VanDerWaalsContact C-N 3.29Å; L248-D250 PolarHBondContact O-N 3.11Å; D250-K253 WeakPolarHBondContact OD1-CE 3.16Å; D250-K253 IonicContact OD1-NZ 2.56Å; D250-K253 PolarHBondContact OD1-NZ 3.1Å
251	A	68.1	Low	67	Low	7 Å²	7	69.3 Å²	69.3	6%	0.058	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-0.5	173.1	0	0	0	0	0	115.2	I247 L248 K249 K268 W272	I247-A251 PolarHBondContact O-N 3.5Å; L248-A251 WeakPolarHBondContact O-CA 3.45Å; L248-A251 WeakPolarHBondContact O-CB 3.23Å; L248-A251 PolarHBondContact O-N 3.07Å; K249-A251 PolarHBondContact O-N 3.24Å; A251-K268 PolarHBondContact O-NZ 3.28Å; A251-W272 HydrophobicContact CB-CH2 3.34Å; A251-W272 HydrophobicContact CB-CZ2 3.41Å; A251-W272 VanDerWaalsContact CB-CZ2 3.41Å
252	F	64.9	Low	65.7	Low	13 Å²	13	69.2 Å²	69.2	6%	0.057	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-20.2	174.2	-71.2	-68.3	0	0	0	113.4	L248 K249 S254 S255 Q260 E264 K268	L248-F252 HydrophobicContact CD1-CD2 4.49Å; L248-F252 HydrophobicContact CD1-CE2 3.81Å; L248-F252 HydrophobicContact CD2-CE2 4.34Å; L248-F252 HydrophobicContact CG-CD2 4.13Å; L248-F252 HydrophobicContact CG-CE2 3.77Å; L248-F252 VanDerWaalsContact O-CD2 3.27Å; L248-F252 WeakPolarHBondContact O-CD2 3.45Å; L248-F252 PolarHBondContact O-N 3.12Å; K249-F252 PolarHBondContact O-N 3.14Å; F252-S254 PolarHBondContact O-N 3.3Å; F252-S255 PolarHBondContact O-N 3.17Å; F252-S255 VanDerWaalsContact O-N 3.12Å; F252-S255 PolarHBondContact O-OG 3.24Å; F252-Q260 VanDerWaalsContact CB-OE1 3.29Å; F252-Q260 VanDerWaalsContact CG-CD 3.49Å; F252-Q260 VanDerWaalsContact CZ-NE2 3.26Å; F252-E264 HydrophobicContact CE1-CG 4.47Å; F252-E264 WeakPolarHBondContact CE1-OE1 3.36Å; F252-K268 HydrophobicContact CD1-CD 4.17Å; F252-K268 HydrophobicContact CE1-CD 3.26Å; F252-K268 HydrophobicContact CE2-CD 4Å; F252-K268 HydrophobicContact CZ-CB 4.24Å; F252-K268 HydrophobicContact CZ-CD 3.2Å; F252-K268 HydrophobicContact CZ-CG 4.36Å
253	K	61.6	Low	64.7	Low	159 Å²	159	69.1 Å²	69.1	69%	0.691	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-6	169.8	-71.1	174.8	-173.4	170.1	0	115.9	K249 D250	K249-K253 WeakPolarHBondContact O-CG 3.28Å; K249-K253 PolarHBondContact O-N 3.33Å; D250-K253 WeakPolarHBondContact OD1-CE 3.16Å; D250-K253 IonicContact OD1-NZ 2.56Å; D250-K253 PolarHBondContact OD1-NZ 3.1Å
254	S	48.8	Very low	64.1	Low	103 Å²	103	67.1 Å²	67.1	72%	0.72	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-0.8	178.9	55.8	0	0	0	0	114.7	F252	F252-S254 PolarHBondContact O-N 3.3Å
255	S	44.1	Very low	63.6	Low	72 Å²	72	67 Å²	67	50%	0.503	35%	0.35	S	S	.	.	S	Bend	trans	-117.9	141.2	165.6	39.7	0	0	0	0	108.5	F252 S257	F252-S255 PolarHBondContact O-N 3.17Å; F252-S255 VanDerWaalsContact O-N 3.12Å; F252-S255 PolarHBondContact O-OG 3.24Å; S255-S257 PolarHBondContact O-N 2.8Å
256	E	35.1	Very low	63.3	Low	177 Å²	177	67.8 Å²	67.8	83%	0.827	36%	0.355	S	S	*	.			trans	-71.5	125.6	-167.4	-65	177	127.4	0	0	112.7	Q258	E256-Q258 PolarHBondContact O-N 3.45Å
257	S	39.1	Very low	63	Low	111 Å²	111	67.6 Å²	67.6	78%	0.776	35%	0.353	S	S	*	.	S	Bend	trans	49.1	3.4	151.5	56.7	0	0	0	0	121.4	S255	S255-S257 PolarHBondContact O-N 2.8Å
258	Q	42.2	Very low	62.9	Low	176 Å²	176	67.8 Å²	67.8	82%	0.822	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-76.9	134.1	173.3	-70.8	-172.9	-36.9	0	0	112	E256	E256-Q258 PolarHBondContact O-N 3.45Å
259	Q	46.3	Very low	63.2	Low	80 Å²	80	67.8 Å²	67.8	37%	0.374	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-75.9	141.9	165.2	-67.9	-179.9	-97.1	0	0	109.1	N610	Q259-N610 PolarHBondContact NE2-O 3.45Å; Q259-N610 PolarHBondContact OE1-O 3.35Å
260	Q	54.8	Low	63.6	Low	48 Å²	48	65.2 Å²	65.2	22%	0.224	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-96.2	132.5	-160.8	-51.5	-155.4	-104.3	0	0	112.2	F252 E264	F252-Q260 VanDerWaalsContact CB-OE1 3.29Å; F252-Q260 VanDerWaalsContact CG-CD 3.49Å; F252-Q260 VanDerWaalsContact CZ-NE2 3.26Å; Q260-E264 VanDerWaalsContact NE2-CD 3.32Å; Q260-E264 PolarHBondContact NE2-OE1 3.01Å; Q260-E264 PolarHBondContact NE2-OE2 2.8Å
261	D	62	Low	64.3	Low	52 Å²	52	64.1 Å²	64.1	28%	0.278	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-87.3	157.7	176.3	-162.1	7.7	0	0	0	111.2	S263 E264 F265 Y656	D261-S263 VanDerWaalsContact C-N 3.28Å; D261-S263 PolarHBondContact O-N 2.9Å; D261-E264 PolarHBondContact O-N 2.89Å; D261-E264 VanDerWaalsContact O-N 3.15Å; D261-F265 PolarHBondContact O-N 3.38Å; D261-Y656 WeakPolarHBondContact OD1-CE2 3.48Å; D261-Y656 PolarHBondContact OD1-OH 3.05Å; D261-Y656 WeakPolarHBondContact OD2-CE2 3.49Å; D261-Y656 PolarHBondContact OD2-OH 2.83Å
262	V	66.2	Low	65.2	Low	2 Å²	2	64.8 Å²	64.8	1%	0.012	34%	0.338	C	S	.	.	H	α-helix	trans	-63	-36.3	-173.9	-172.4	0	0	0	0	111.5	W178 V182 F265 T266 L603 Y614 Y656	W178-V262 HydrophobicContact CB-CG2 3.83Å; V182-V262 HydrophobicContact CG2-CG1 3.52Å; V262-F265 PolarHBondContact O-N 3.18Å; V262-T266 HydrophobicContact CG1-CG2 4.31Å; V262-T266 PolarHBondContact O-N 3.4Å; V262-T266 PolarHBondContact O-OG1 3.09Å; V262-L603 HydrophobicContact CG1-CD2 4.01Å; V262-Y614 HydrophobicContact CB-CE1 4.48Å; V262-Y614 HydrophobicContact CG2-CD1 3.57Å; V262-Y614 HydrophobicContact CG2-CE1 3.13Å; V262-Y614 HydrophobicContact CG2-CE2 4.21Å; V262-Y614 HydrophobicContact CG2-CG 4.25Å; V262-Y614 VanDerWaalsContact CG2-CZ 3.5Å; V262-Y656 HydrophobicContact CB-CD1 4.08Å; V262-Y656 HydrophobicContact CB-CE1 3.71Å; V262-Y656 HydrophobicContact CG1-CE1 4.44Å
263	S	69	Low	66.1	Low	23 Å²	23	64.2 Å²	64.2	16%	0.161	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-41.2	175.8	-174	0	0	0	0	112.7	D261 F265 T266 H267 E373 Y656	D261-S263 VanDerWaalsContact C-N 3.28Å; D261-S263 PolarHBondContact O-N 2.9Å; S263-F265 VanDerWaalsContact C-N 3.29Å; S263-F265 PolarHBondContact O-N 3.11Å; S263-T266 WeakPolarHBondContact CA-OG1 3.26Å; S263-T266 PolarHBondContact O-N 3.39Å; S263-T266 PolarHBondContact O-OG1 3.4Å; S263-H267 VanDerWaalsContact O-CB 3.28Å; S263-H267 WeakPolarHBondContact O-CB 3.35Å; S263-H267 PolarHBondContact O-N 3.24Å; S263-E373 WeakPolarHBondContact CB-OE2 3.24Å; S263-E373 PolarHBondContact OG-OE2 3.2Å; S263-Y656 WeakPolarHBondContact CB-OH 3.48Å; S263-Y656 PolarHBondContact N-OH 3.23Å; S263-Y656 VanDerWaalsContact N-OH 3.11Å
264	E	75.4	Confident	67.3	Low	84 Å²	84	59.4 Å²	59.4	39%	0.393	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-40.7	176.7	-161.7	-152	166	0	0	110.9	F252 Q260 D261 K268	F252-E264 HydrophobicContact CE1-CG 4.47Å; F252-E264 WeakPolarHBondContact CE1-OE1 3.36Å; Q260-E264 VanDerWaalsContact NE2-CD 3.32Å; Q260-E264 PolarHBondContact NE2-OE1 3.01Å; Q260-E264 PolarHBondContact NE2-OE2 2.8Å; D261-E264 PolarHBondContact O-N 2.89Å; D261-E264 VanDerWaalsContact O-N 3.15Å; E264-K268 WeakPolarHBondContact O-CB 3.43Å; E264-K268 PolarHBondContact O-N 3.48Å; E264-K268 VanDerWaalsContact O-N 3.13Å
265	F	78.8	Confident	69	Low	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.1	-48	174.2	174.1	-125	0	0	0	112.8	W178 F179 V182 I183 L248 D261 V262 S263 H267 K268 L269	W178-F265 HydrophobicContact CE3-CB 3.97Å; W178-F265 AromaticContact CE3-CD1 3.44Å; W178-F265 HydrophobicContact CE3-CD1 3.44Å; W178-F265 VanDerWaalsContact CE3-CD1 3.44Å; W178-F265 HydrophobicContact CE3-CD2 4.44Å; W178-F265 HydrophobicContact CE3-CE1 4.01Å; W178-F265 AromaticContact CE3-CG 3.67Å; W178-F265 HydrophobicContact CE3-CG 3.67Å; W178-F265 HydrophobicContact CZ3-CB 3.88Å; W178-F265 AromaticContact CZ3-CD1 3.55Å; W178-F265 HydrophobicContact CZ3-CD1 3.55Å; W178-F265 AromaticContact CZ3-CD2 3.73Å; W178-F265 HydrophobicContact CZ3-CD2 3.73Å; W178-F265 AromaticContact CZ3-CE1 3.98Å; W178-F265 HydrophobicContact CZ3-CE1 3.98Å; W178-F265 HydrophobicContact CZ3-CE2 4.17Å; W178-F265 AromaticContact CZ3-CG 3.41Å; W178-F265 HydrophobicContact CZ3-CG 3.41Å; W178-F265 VanDerWaalsContact CZ3-CG 3.41Å; W178-F265 HydrophobicContact CZ3-CZ 4.27Å; F179-F265 HydrophobicContact CB-CE1 4.44Å; F179-F265 AromaticContact CD2-CE1 3.8Å; F179-F265 HydrophobicContact CD2-CE1 3.8Å; F179-F265 HydrophobicContact CD2-CE2 4.04Å; F179-F265 AromaticContact CD2-CZ 3.34Å; F179-F265 HydrophobicContact CD2-CZ 3.34Å; F179-F265 HydrophobicContact CE2-CE1 4.49Å; F179-F265 HydrophobicContact CE2-CE2 4.29Å; F179-F265 AromaticContact CE2-CZ 3.67Å; F179-F265 HydrophobicContact CE2-CZ 3.67Å; F179-F265 HydrophobicContact CG-CE1 4.38Å; F179-F265 HydrophobicContact CG-CZ 4.31Å; V182-F265 HydrophobicContact CB-CD1 4.11Å; V182-F265 HydrophobicContact CB-CE1 3.8Å; V182-F265 HydrophobicContact CG1-CD1 4.06Å; V182-F265 HydrophobicContact CG1-CE1 3.62Å; V182-F265 HydrophobicContact CG2-CD1 4.05Å; V182-F265 HydrophobicContact CG2-CE1 4.27Å; I183-F265 HydrophobicContact CD1-CZ 4.45Å; L248-F265 HydrophobicContact CD1-CD2 4.02Å; L248-F265 HydrophobicContact CD1-CE2 3.76Å; L248-F265 HydrophobicContact CD2-CD2 3.59Å; L248-F265 HydrophobicContact CD2-CE2 3.32Å; L248-F265 HydrophobicContact CD2-CZ 4.14Å; L248-F265 HydrophobicContact CG-CD2 4.39Å; L248-F265 HydrophobicContact CG-CE2 4.19Å; D261-F265 PolarHBondContact O-N 3.38Å; V262-F265 PolarHBondContact O-N 3.18Å; S263-F265 VanDerWaalsContact C-N 3.29Å; S263-F265 PolarHBondContact O-N 3.11Å; F265-H267 VanDerWaalsContact C-N 3.31Å; F265-H267 PolarHBondContact O-N 2.93Å; F265-K268 PolarHBondContact O-N 3.5Å; F265-L269 HydrophobicContact CD2-CB 4.32Å; F265-L269 HydrophobicContact CE1-CD2 4.11Å; F265-L269 HydrophobicContact CE2-CB 3.93Å; F265-L269 HydrophobicContact CE2-CD1 4.48Å; F265-L269 HydrophobicContact CE2-CD2 4.31Å; F265-L269 HydrophobicContact CE2-CG 4.47Å; F265-L269 HydrophobicContact CZ-CB 4.23Å; F265-L269 HydrophobicContact CZ-CD1 4.44Å; F265-L269 HydrophobicContact CZ-CD2 3.76Å; F265-L269 HydrophobicContact CZ-CG 4.37Å; F265-L269 WeakPolarHBondContact O-CB 3.31Å; F265-L269 PolarHBondContact O-N 3.21Å
266	T	78.3	Confident	70.9	Confident	16 Å²	16	54.5 Å²	54.5	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-39.8	-179.2	48.7	0	0	0	0	111.7	V182 V262 S263 L270 Q321	V182-T266 HydrophobicContact CB-CG2 4.28Å; V182-T266 HydrophobicContact CG1-CG2 3.72Å; V182-T266 HydrophobicContact CG2-CG2 3.49Å; V182-T266 VanDerWaalsContact CG2-CG2 3.49Å; V262-T266 HydrophobicContact CG1-CG2 4.31Å; V262-T266 PolarHBondContact O-N 3.4Å; V262-T266 PolarHBondContact O-OG1 3.09Å; S263-T266 WeakPolarHBondContact CA-OG1 3.26Å; S263-T266 PolarHBondContact O-N 3.39Å; S263-T266 PolarHBondContact O-OG1 3.4Å; T266-L270 WeakPolarHBondContact O-CB 3.38Å; T266-L270 VanDerWaalsContact O-CG 3.27Å; T266-L270 WeakPolarHBondContact O-CG 3.3Å; T266-L270 PolarHBondContact O-N 3.19Å; T266-Q321 PolarHBondContact OG1-OE1 3.38Å
267	H	80.4	Confident	73.3	Confident	108 Å²	108	46.6 Å²	46.6	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-60.2	-56.3	175	-164.7	-55.4	0	0	0	110.8	S263 F265 L269 L270 D271	S263-H267 VanDerWaalsContact O-CB 3.28Å; S263-H267 WeakPolarHBondContact O-CB 3.35Å; S263-H267 PolarHBondContact O-N 3.24Å; F265-H267 VanDerWaalsContact C-N 3.31Å; F265-H267 PolarHBondContact O-N 2.93Å; H267-L269 VanDerWaalsContact C-N 3.32Å; H267-L269 PolarHBondContact O-N 3.09Å; H267-L270 PolarHBondContact O-N 3.23Å; H267-L270 VanDerWaalsContact O-N 3.09Å; H267-D271 IonicContact CE1-OD1 2.82Å; H267-D271 PolarHBondContact CE1-OD1 3.01Å; H267-D271 IonicContact CE1-OD2 3.91Å; H267-D271 PolarHBondContact CE1-OD2 3.28Å; H267-D271 VanDerWaalsContact ND1-CG 3.29Å; H267-D271 IonicContact ND1-OD1 2.8Å; H267-D271 PolarHBondContact ND1-OD1 3.36Å; H267-D271 VanDerWaalsContact ND1-OD1 3.16Å; H267-D271 IonicContact ND1-OD2 3.18Å; H267-D271 PolarHBondContact ND1-OD2 3.06Å; H267-D271 PolarHBondContact O-N 2.93Å
268	K	83	Confident	75.5	Confident	44 Å²	44	43.7 Å²	43.7	19%	0.191	21%	0.212	C	C	.	.	H	α-helix	trans	-67.6	-31.3	-176.6	-165.1	-177.2	-173	172	0	113.4	A251 F252 E264 F265 D271 W272	A251-K268 PolarHBondContact O-NZ 3.28Å; F252-K268 HydrophobicContact CD1-CD 4.17Å; F252-K268 HydrophobicContact CE1-CD 3.26Å; F252-K268 HydrophobicContact CE2-CD 4Å; F252-K268 HydrophobicContact CZ-CB 4.24Å; F252-K268 HydrophobicContact CZ-CD 3.2Å; F252-K268 HydrophobicContact CZ-CG 4.36Å; E264-K268 WeakPolarHBondContact O-CB 3.43Å; E264-K268 PolarHBondContact O-N 3.48Å; E264-K268 VanDerWaalsContact O-N 3.13Å; F265-K268 PolarHBondContact O-N 3.5Å; K268-D271 WeakPolarHBondContact CA-OD2 3.48Å; K268-W272 WeakPolarHBondContact O-CB 3.37Å; K268-W272 VanDerWaalsContact O-CG 3.24Å; K268-W272 PolarHBondContact O-N 2.98Å
269	L	84	Confident	77.2	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-60.8	-48.4	170.6	174.4	60.8	0	0	0	110.4	V182 I183 L186 F220 F265 H267 W272 L273	V182-L269 HydrophobicContact CG1-CD2 3.71Å; I183-L269 HydrophobicContact CD1-CD2 3.86Å; L186-L269 HydrophobicContact CD1-CD2 3.48Å; L186-L269 VanDerWaalsContact CD1-CD2 3.48Å; L186-L269 HydrophobicContact CD1-CG 4.49Å; F220-L269 HydrophobicContact CE1-CD1 3.45Å; F220-L269 VanDerWaalsContact CE1-CD1 3.45Å; F220-L269 HydrophobicContact CZ-CD1 3.68Å; F265-L269 HydrophobicContact CD2-CB 4.32Å; F265-L269 HydrophobicContact CE1-CD2 4.11Å; F265-L269 HydrophobicContact CE2-CB 3.93Å; F265-L269 HydrophobicContact CE2-CD1 4.48Å; F265-L269 HydrophobicContact CE2-CD2 4.31Å; F265-L269 HydrophobicContact CE2-CG 4.47Å; F265-L269 HydrophobicContact CZ-CB 4.23Å; F265-L269 HydrophobicContact CZ-CD1 4.44Å; F265-L269 HydrophobicContact CZ-CD2 3.76Å; F265-L269 HydrophobicContact CZ-CG 4.37Å; F265-L269 WeakPolarHBondContact O-CB 3.31Å; F265-L269 PolarHBondContact O-N 3.21Å; H267-L269 VanDerWaalsContact C-N 3.32Å; H267-L269 PolarHBondContact O-N 3.09Å; L269-W272 PolarHBondContact O-N 3.42Å; L269-L273 HydrophobicContact CD1-CD1 3.87Å; L269-L273 HydrophobicContact CD1-CG 4.36Å; L269-L273 HydrophobicContact CG-CD1 3.95Å; L269-L273 WeakPolarHBondContact O-CB 3.3Å; L269-L273 WeakPolarHBondContact O-CD1 3.44Å; L269-L273 WeakPolarHBondContact O-CG 3.37Å; L269-L273 PolarHBondContact O-N 3.44Å; L269-L273 VanDerWaalsContact O-N 3.09Å
270	L	83.4	Confident	78.6	Confident	16 Å²	16	35.9 Å²	35.9	8%	0.084	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-41.2	177.9	-70.5	172.2	0	0	0	111.7	T266 H267 W272 L273 E274 F298	T266-L270 WeakPolarHBondContact O-CB 3.38Å; T266-L270 VanDerWaalsContact O-CG 3.27Å; T266-L270 WeakPolarHBondContact O-CG 3.3Å; T266-L270 PolarHBondContact O-N 3.19Å; H267-L270 PolarHBondContact O-N 3.23Å; H267-L270 VanDerWaalsContact O-N 3.09Å; L270-W272 PolarHBondContact O-N 3.11Å; L270-L273 PolarHBondContact O-N 2.7Å; L270-E274 WeakPolarHBondContact O-CB 3.27Å; L270-E274 PolarHBondContact O-N 3.02Å; L270-F298 HydrophobicContact CD2-CD2 3.68Å; L270-F298 HydrophobicContact CD2-CE2 3.8Å; L270-F298 HydrophobicContact CD2-CG 4.07Å; L270-F298 HydrophobicContact CD2-CZ 4.3Å
271	D	85.6	Confident	79.7	Confident	55 Å²	55	34.4 Å²	34.4	29%	0.294	17%	0.172	S	C	.	.	H	α-helix	trans	-56.3	-47.6	173.9	-62.2	-38	0	0	0	111.6	H267 K268 L273 E274 D275	H267-D271 IonicContact CE1-OD1 2.82Å; H267-D271 PolarHBondContact CE1-OD1 3.01Å; H267-D271 IonicContact CE1-OD2 3.91Å; H267-D271 PolarHBondContact CE1-OD2 3.28Å; H267-D271 VanDerWaalsContact ND1-CG 3.29Å; H267-D271 IonicContact ND1-OD1 2.8Å; H267-D271 PolarHBondContact ND1-OD1 3.36Å; H267-D271 VanDerWaalsContact ND1-OD1 3.16Å; H267-D271 IonicContact ND1-OD2 3.18Å; H267-D271 PolarHBondContact ND1-OD2 3.06Å; H267-D271 PolarHBondContact O-N 2.93Å; K268-D271 WeakPolarHBondContact CA-OD2 3.48Å; D271-L273 VanDerWaalsContact C-N 3.32Å; D271-L273 PolarHBondContact O-N 3.35Å; D271-E274 PolarHBondContact O-N 3.05Å; D271-D275 PolarHBondContact O-N 2.94Å
272	W	86.3	Confident	80.5	Confident	21 Å²	21	37.1 Å²	37.1	8%	0.08	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-34	-178.8	-77.6	10.9	0	0	0	113.1	R216 N217 F220 L248 A251 K268 L269 L270 A276	R216-W272 HydrophobicContact CB-CH2 4.4Å; R216-W272 HydrophobicContact CB-CZ2 4.44Å; N217-W272 HydrophobicContact CB-CB 4.36Å; N217-W272 HydrophobicContact CB-CG 4.42Å; N217-W272 PolarHBondContact OD1-NE1 3.31Å; F220-W272 HydrophobicContact CB-CE3 3.88Å; F220-W272 HydrophobicContact CB-CZ3 3.76Å; F220-W272 AromaticContact CD1-CE3 3.75Å; F220-W272 HydrophobicContact CD1-CE3 3.75Å; F220-W272 HydrophobicContact CD1-CZ3 4.23Å; F220-W272 HydrophobicContact CD2-CE3 4.21Å; F220-W272 AromaticContact CD2-CZ3 3.86Å; F220-W272 HydrophobicContact CD2-CZ3 3.86Å; F220-W272 HydrophobicContact CE1-CE3 4.38Å; F220-W272 AromaticContact CG-CE3 3.65Å; F220-W272 HydrophobicContact CG-CE3 3.65Å; F220-W272 AromaticContact CG-CZ3 3.66Å; F220-W272 HydrophobicContact CG-CZ3 3.66Å; L248-W272 HydrophobicContact CD1-CE3 4.43Å; L248-W272 HydrophobicContact CD1-CH2 4.32Å; L248-W272 HydrophobicContact CD1-CZ3 3.93Å; A251-W272 HydrophobicContact CB-CH2 3.34Å; A251-W272 HydrophobicContact CB-CZ2 3.41Å; A251-W272 VanDerWaalsContact CB-CZ2 3.41Å; K268-W272 WeakPolarHBondContact O-CB 3.37Å; K268-W272 VanDerWaalsContact O-CG 3.24Å; K268-W272 PolarHBondContact O-N 2.98Å; L269-W272 PolarHBondContact O-N 3.42Å; L270-W272 PolarHBondContact O-N 3.11Å; W272-A276 VanDerWaalsContact O-CB 3.26Å; W272-A276 WeakPolarHBondContact O-CB 3.4Å; W272-A276 PolarHBondContact O-N 3.48Å; W272-A276 VanDerWaalsContact O-N 3.09Å
273	L	84.8	Confident	80.7	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-72.2	-43.1	173.2	-68.4	165.4	0	0	0	110.5	F192 M221 L224 L269 L270 D271 A276 F277 M294	F192-L273 HydrophobicContact CE2-CD1 3.87Å; F192-L273 HydrophobicContact CZ-CD1 3.6Å; M221-L273 HydrophobicContact CE-CD2 4.35Å; M221-L273 HydrophobicContact SD-CD2 3.43Å; M221-L273 WeakPolarHBondContact SD-CD2 3.25Å; L224-L273 HydrophobicContact CD2-CD2 3.86Å; L269-L273 HydrophobicContact CD1-CD1 3.87Å; L269-L273 HydrophobicContact CD1-CG 4.36Å; L269-L273 HydrophobicContact CG-CD1 3.95Å; L269-L273 WeakPolarHBondContact O-CB 3.3Å; L269-L273 WeakPolarHBondContact O-CD1 3.44Å; L269-L273 WeakPolarHBondContact O-CG 3.37Å; L269-L273 PolarHBondContact O-N 3.44Å; L269-L273 VanDerWaalsContact O-N 3.09Å; L270-L273 PolarHBondContact O-N 2.7Å; D271-L273 VanDerWaalsContact C-N 3.32Å; D271-L273 PolarHBondContact O-N 3.35Å; L273-A276 PolarHBondContact O-N 3.16Å; L273-F277 HydrophobicContact CD2-CE2 4.36Å; L273-F277 WeakPolarHBondContact O-CB 3.13Å; L273-F277 VanDerWaalsContact O-CD2 3.29Å; L273-F277 WeakPolarHBondContact O-CD2 3.46Å; L273-F277 PolarHBondContact O-N 2.72Å; L273-M294 HydrophobicContact CB-CG 4.31Å
274	E	86.1	Confident	80.7	Confident	58 Å²	58	47 Å²	47	27%	0.271	23%	0.23	S	C	.	.	H	α-helix	trans	-55.5	-54.6	174.1	-173.9	173.5	158.6	0	0	110.3	L270 D271 A276 F277 Q278 N292 V295	L270-E274 WeakPolarHBondContact O-CB 3.27Å; L270-E274 PolarHBondContact O-N 3.02Å; D271-E274 PolarHBondContact O-N 3.05Å; E274-A276 VanDerWaalsContact C-N 3.35Å; E274-A276 PolarHBondContact O-N 2.83Å; E274-F277 PolarHBondContact O-N 3.43Å; E274-Q278 WeakPolarHBondContact O-CB 3.37Å; E274-Q278 PolarHBondContact O-N 3.4Å; E274-N292 WeakPolarHBondContact CG-ND2 3.36Å; E274-N292 PolarHBondContact O-ND2 3.38Å; E274-V295 HydrophobicContact CG-CG2 3.71Å; E274-V295 WeakPolarHBondContact OE1-CG2 3.32Å
275	D	85.1	Confident	80.3	Confident	71 Å²	71	44.9 Å²	44.9	38%	0.38	22%	0.224	S	C	.	.	H	α-helix	trans	-51.1	-50.2	174.4	-83.3	-21	0	0	0	111.9	N217 D271 F277 Q278 M279	N217-D275 WeakPolarHBondContact ND2-CB 3.36Å; N217-D275 PolarHBondContact ND2-OD2 2.96Å; D271-D275 PolarHBondContact O-N 2.94Å; D275-F277 PolarHBondContact O-N 3Å; D275-Q278 PolarHBondContact O-N 3.27Å; D275-M279 WeakPolarHBondContact O-CG 3.21Å; D275-M279 PolarHBondContact O-N 2.99Å; D275-M279 VanDerWaalsContact O-N 3.13Å
276	A	84.1	Confident	79.1	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-68.8	-35.4	-174.7	0	0	0	0	0	113.4	Y199 M221 W272 L273 E274	Y199-A276 VanDerWaalsContact CE2-O 3.27Å; Y199-A276 WeakPolarHBondContact CE2-O 3.34Å; Y199-A276 PolarHBondContact OH-O 3.39Å; M221-A276 HydrophobicContact CB-CB 4.4Å; M221-A276 HydrophobicContact CG-CB 4.36Å; W272-A276 VanDerWaalsContact O-CB 3.26Å; W272-A276 WeakPolarHBondContact O-CB 3.4Å; W272-A276 PolarHBondContact O-N 3.48Å; W272-A276 VanDerWaalsContact O-N 3.09Å; L273-A276 PolarHBondContact O-N 3.16Å; E274-A276 VanDerWaalsContact C-N 3.35Å; E274-A276 PolarHBondContact O-N 2.83Å
277	F	85.3	Confident	78.1	Confident	11 Å²	11	54.8 Å²	54.8	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-80.3	-27.8	173.8	-81.2	-90.3	0	0	0	112.5	L195 Y199 M221 L273 E274 D275 K280 A281 P293 M294	L195-F277 HydrophobicContact CB-CE1 4.09Å; L195-F277 HydrophobicContact CB-CZ 4.03Å; L195-F277 HydrophobicContact CD2-CE1 4.48Å; L195-F277 VanDerWaalsContact O-CZ 3.26Å; L195-F277 WeakPolarHBondContact O-CZ 3.43Å; Y199-F277 HydrophobicContact CD2-CD1 4.11Å; Y199-F277 HydrophobicContact CD2-CD2 4.4Å; Y199-F277 AromaticContact CD2-CE1 3.75Å; Y199-F277 HydrophobicContact CD2-CE1 3.75Å; Y199-F277 HydrophobicContact CD2-CE2 4.06Å; Y199-F277 HydrophobicContact CD2-CG 4.42Å; Y199-F277 AromaticContact CD2-CZ 3.72Å; Y199-F277 HydrophobicContact CD2-CZ 3.72Å; Y199-F277 HydrophobicContact CE2-CD1 4.49Å; Y199-F277 HydrophobicContact CE2-CG 4.49Å; Y199-F277 HydrophobicContact CG-CZ 4.31Å; M221-F277 HydrophobicContact CE-CD2 4.49Å; M221-F277 HydrophobicContact CE-CE2 3.39Å; M221-F277 HydrophobicContact CE-CZ 3.6Å; M221-F277 HydrophobicContact SD-CE2 4.29Å; L273-F277 HydrophobicContact CD2-CE2 4.36Å; L273-F277 WeakPolarHBondContact O-CB 3.13Å; L273-F277 VanDerWaalsContact O-CD2 3.29Å; L273-F277 WeakPolarHBondContact O-CD2 3.46Å; L273-F277 PolarHBondContact O-N 2.72Å; E274-F277 PolarHBondContact O-N 3.43Å; D275-F277 PolarHBondContact O-N 3Å; F277-K280 PolarHBondContact O-N 3.36Å; F277-A281 WeakPolarHBondContact O-CB 3.39Å; F277-A281 PolarHBondContact O-N 3.34Å; F277-P293 HydrophobicContact CB-CG 4.35Å; F277-P293 HydrophobicContact CD1-CG 3.7Å; F277-P293 HydrophobicContact CE1-CG 4.39Å; F277-P293 HydrophobicContact CG-CG 4.26Å; F277-M294 HydrophobicContact CB-CG 4.43Å; F277-M294 HydrophobicContact CD2-CE 3.76Å; F277-M294 HydrophobicContact CD2-CG 3.84Å; F277-M294 HydrophobicContact CE1-CE 4.36Å; F277-M294 HydrophobicContact CE2-CE 3.28Å; F277-M294 HydrophobicContact CE2-CG 4.36Å; F277-M294 HydrophobicContact CG-CE 4.49Å; F277-M294 HydrophobicContact CG-CG 4.16Å; F277-M294 HydrophobicContact CZ-CE 3.63Å
278	Q	84.8	Confident	77.2	Confident	50 Å²	50	57.5 Å²	57.5	23%	0.234	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-47.4	174.7	-174.6	60.6	23.9	0	0	110.7	E274 D275 K280 A281 E282 N292	E274-Q278 WeakPolarHBondContact O-CB 3.37Å; E274-Q278 PolarHBondContact O-N 3.4Å; D275-Q278 PolarHBondContact O-N 3.27Å; Q278-K280 VanDerWaalsContact C-N 3.3Å; Q278-K280 PolarHBondContact O-N 3.43Å; Q278-A281 PolarHBondContact O-N 3.3Å; Q278-E282 PolarHBondContact NE2-OE1 3.29Å; Q278-E282 WeakPolarHBondContact O-CG 3.46Å; Q278-E282 PolarHBondContact O-N 3.32Å; Q278-N292 WeakPolarHBondContact CB-ND2 3.43Å; Q278-N292 PolarHBondContact N-ND2 3.01Å; Q278-N292 PolarHBondContact OE1-ND2 3.12Å
279	M	77.6	Confident	76.2	Confident	44 Å²	44	64.4 Å²	64.4	22%	0.217	34%	0.343	C	S	.	.	H	α-helix	trans	-56.9	-41.5	175.9	-70.1	-176.5	179.7	0	0	112.6	E214 D275 E282 E283	E214-M279 HydrophobicContact CB-CE 3.99Å; E214-M279 HydrophobicContact CG-CE 3.67Å; D275-M279 WeakPolarHBondContact O-CG 3.21Å; D275-M279 PolarHBondContact O-N 2.99Å; D275-M279 VanDerWaalsContact O-N 3.13Å; M279-E282 PolarHBondContact O-N 3.17Å; M279-E283 PolarHBondContact O-N 2.99Å; M279-E283 VanDerWaalsContact O-N 3.14Å
280	K	76.4	Confident	75.4	Confident	48 Å²	48	66.7 Å²	66.7	21%	0.209	36%	0.358	C	S	.	.	H	α-helix	trans	-68.2	-45.3	176.7	-176.8	174.7	176	177.3	0	111.5	N198 Y199 S200 F277 Q278 E282 E283 D284	N198-K280 PolarHBondContact O-NZ 2.92Å; Y199-K280 HydrophobicContact CD2-CD 4.25Å; Y199-K280 HydrophobicContact CE2-CB 4.21Å; Y199-K280 HydrophobicContact CE2-CD 4.25Å; S200-K280 PolarHBondContact OG-NZ 3.31Å; F277-K280 PolarHBondContact O-N 3.36Å; Q278-K280 VanDerWaalsContact C-N 3.3Å; Q278-K280 PolarHBondContact O-N 3.43Å; K280-E282 PolarHBondContact O-N 3.11Å; K280-E283 PolarHBondContact O-N 3.35Å; K280-D284 PolarHBondContact O-N 2.84Å
281	A	78	Confident	75.2	Confident	17 Å²	17	72.1 Å²	72.1	14%	0.14	38%	0.381	C	S	.	.	H	α-helix	trans	-60.8	-34.3	177.3	0	0	0	0	0	112.1	F277 Q278 S285 P290	F277-A281 WeakPolarHBondContact O-CB 3.39Å; F277-A281 PolarHBondContact O-N 3.34Å; Q278-A281 PolarHBondContact O-N 3.3Å; A281-S285 WeakPolarHBondContact O-CB 3.38Å; A281-S285 PolarHBondContact O-N 3.01Å; A281-S285 VanDerWaalsContact O-N 3.08Å; A281-S285 PolarHBondContact O-OG 3.19Å; A281-P290 HydrophobicContact CB-CB 3.99Å
282	E	78.1	Confident	75.2	Confident	109 Å²	109	70 Å²	70	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-69.1	-43.1	174.7	-76.6	176.9	-166.5	0	0	112.5	Q278 M279 K280 D284 S285 P290	Q278-E282 PolarHBondContact NE2-OE1 3.29Å; Q278-E282 WeakPolarHBondContact O-CG 3.46Å; Q278-E282 PolarHBondContact O-N 3.32Å; M279-E282 PolarHBondContact O-N 3.17Å; K280-E282 PolarHBondContact O-N 3.11Å; E282-D284 PolarHBondContact O-N 3.03Å; E282-S285 WeakPolarHBondContact CA-OG 3.17Å; E282-S285 PolarHBondContact O-N 3.43Å; E282-S285 PolarHBondContact O-OG 2.91Å; E282-P290 HydrophobicContact CG-CB 4.02Å; E282-P290 HydrophobicContact CG-CG 3.9Å
283	E	70.8	Confident	75.3	Confident	117 Å²	117	70.9 Å²	70.9	55%	0.547	38%	0.378	S	S	.	.	H	α-helix	trans	-63.1	-38.5	175.5	-171.8	167.8	-154.7	0	0	112.5	P202 M279 K280	P202-E283 WeakPolarHBondContact CB-OE2 3.39Å; M279-E283 PolarHBondContact O-N 2.99Å; M279-E283 VanDerWaalsContact O-N 3.14Å; K280-E283 PolarHBondContact O-N 3.35Å
284	D	68.9	Low	75.5	Confident	114 Å²	114	70.9 Å²	70.9	61%	0.61	38%	0.378	S	S	*	.	H	α-helix	trans	-76.7	-21.5	176.9	-74.6	-37.6	0	0	0	113.4	K280 E282 V286	K280-D284 PolarHBondContact O-N 2.84Å; E282-D284 PolarHBondContact O-N 3.03Å; D284-V286 PolarHBondContact O-N 3.1Å
285	S	65.9	Low	75.7	Confident	40 Å²	40	69.7 Å²	69.7	28%	0.28	37%	0.374	S	S	.	.			trans	-81.3	76.1	-168.5	64.9	0	0	0	0	116	A281 E282 G287	A281-S285 WeakPolarHBondContact O-CB 3.38Å; A281-S285 PolarHBondContact O-N 3.01Å; A281-S285 VanDerWaalsContact O-N 3.08Å; A281-S285 PolarHBondContact O-OG 3.19Å; E282-S285 WeakPolarHBondContact CA-OG 3.17Å; E282-S285 PolarHBondContact O-N 3.43Å; E282-S285 PolarHBondContact O-OG 2.91Å; S285-G287 PolarHBondContact O-N 3.48Å
286	V	54.4	Low	76	Confident	148 Å²	148	71.3 Å²	71.3	90%	0.897	38%	0.38	S	S	*	.	S	Bend	trans	-76.9	67.8	173	-166.7	0	0	0	0	112.4	D284	D284-V286 PolarHBondContact O-N 3.1Å
287	G	56.9	Low	76.4	Confident	77 Å²	77	71.6 Å²	71.6	79%	0.794	38%	0.381	S	S	*	.	S	Bend	trans	110	-6.7	162.8	0	0	0	0	0	117.5	S285	S285-G287 PolarHBondContact O-N 3.48Å
288	E	61.3	Low	76.8	Confident	164 Å²	164	71.2 Å²	71.2	77%	0.766	38%	0.379	S	S	*	.	S	Bend	trans	-92.5	167.8	163.7	-64.4	-158.8	154.9	0	0	110.8
289	K	63.3	Low	77.2	Confident	189 Å²	189	70.9 Å²	70.9	82%	0.822	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-69.5	133.5	169.9	-71.4	-170	175.8	-171.3	0	109	K291	K289-K291 PolarHBondContact O-N 3.35Å
290	P	67.1	Low	78	Confident	49 Å²	49	68.9 Å²	68.9	32%	0.318	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-58.2	131.7	174.8	25.4	-34.8	0	0	0	110	A281 E282	A281-P290 HydrophobicContact CB-CB 3.99Å; E282-P290 HydrophobicContact CG-CB 4.02Å; E282-P290 HydrophobicContact CG-CG 3.9Å
291	K	78.1	Confident	78.9	Confident	131 Å²	131	71.6 Å²	71.6	57%	0.57	38%	0.376	S	S	*	.			trans	-108.2	114.7	175.6	-81.2	163.1	137.4	-79.5	0	107.7	K289 P293 E296	K289-K291 PolarHBondContact O-N 3.35Å; K291-P293 WeakPolarHBondContact O-CD 3.49Å; K291-E296 IonicContact NZ-OE1 3.19Å; K291-E296 PolarHBondContact NZ-OE1 3.27Å; K291-E296 IonicContact NZ-OE2 2.76Å; K291-E296 PolarHBondContact NZ-OE2 2.85Å
292	N	86.6	Confident	79.7	Confident	9 Å²	9	71.6 Å²	71.6	5%	0.048	37%	0.373	C	S	.	.			trans	-84.4	118.4	179.5	-166.4	-41.9	0	0	0	110.2	E274 Q278 M294 V295 E296	E274-N292 WeakPolarHBondContact CG-ND2 3.36Å; E274-N292 PolarHBondContact O-ND2 3.38Å; Q278-N292 WeakPolarHBondContact CB-ND2 3.43Å; Q278-N292 PolarHBondContact N-ND2 3.01Å; Q278-N292 PolarHBondContact OE1-ND2 3.12Å; N292-M294 PolarHBondContact O-N 3.41Å; N292-M294 PolarHBondContact OD1-N 3.3Å; N292-V295 HydrophobicContact CB-CB 4.09Å; N292-V295 HydrophobicContact CB-CG2 3.75Å; N292-V295 PolarHBondContact O-N 2.9Å; N292-E296 PolarHBondContact O-N 3.49Å; N292-E296 VanDerWaalsContact O-N 3.08Å
293	P	88.6	Confident	80.5	Confident	40 Å²	40	67 Å²	67	26%	0.26	35%	0.352	S	S	.	.	H	α-helix	trans	-66.6	-24.5	-177.3	28	-35.7	0	0	0	113.1	L195 F277 K291 L297	L195-P293 HydrophobicContact CD1-CB 3.99Å; L195-P293 HydrophobicContact CD2-CB 3.71Å; L195-P293 HydrophobicContact CD2-CG 3.92Å; F277-P293 HydrophobicContact CB-CG 4.35Å; F277-P293 HydrophobicContact CD1-CG 3.7Å; F277-P293 HydrophobicContact CE1-CG 4.39Å; F277-P293 HydrophobicContact CG-CG 4.26Å; K291-P293 WeakPolarHBondContact O-CD 3.49Å; P293-L297 VanDerWaalsContact O-CB 3.23Å; P293-L297 WeakPolarHBondContact O-CB 3.5Å; P293-L297 PolarHBondContact O-N 2.7Å; P293-L297 VanDerWaalsContact O-N 3.15Å
294	M	89.1	Confident	81.4	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-73.3	-39.8	175.9	-65.2	-58.5	178.9	0	0	111.6	F192 L195 V196 L273 F277 N292 L297 F298	F192-M294 HydrophobicContact CD2-CE 3.71Å; F192-M294 HydrophobicContact CD2-SD 3.69Å; F192-M294 HydrophobicContact CE2-CE 3.52Å; F192-M294 HydrophobicContact CE2-SD 3.61Å; F192-M294 HydrophobicContact CZ-CE 4.39Å; L195-M294 HydrophobicContact CB-CE 3.9Å; L195-M294 HydrophobicContact CD1-CE 4.18Å; L195-M294 HydrophobicContact CD1-SD 4.29Å; V196-M294 HydrophobicContact CG2-CE 4.36Å; L273-M294 HydrophobicContact CB-CG 4.31Å; F277-M294 HydrophobicContact CB-CG 4.43Å; F277-M294 HydrophobicContact CD2-CE 3.76Å; F277-M294 HydrophobicContact CD2-CG 3.84Å; F277-M294 HydrophobicContact CE1-CE 4.36Å; F277-M294 HydrophobicContact CE2-CE 3.28Å; F277-M294 HydrophobicContact CE2-CG 4.36Å; F277-M294 HydrophobicContact CG-CE 4.49Å; F277-M294 HydrophobicContact CG-CG 4.16Å; F277-M294 HydrophobicContact CZ-CE 3.63Å; N292-M294 PolarHBondContact O-N 3.41Å; N292-M294 PolarHBondContact OD1-N 3.3Å; M294-L297 PolarHBondContact O-N 2.66Å; M294-L297 VanDerWaalsContact O-N 3.13Å; M294-F298 PolarHBondContact O-N 2.71Å; M294-F298 HydrophobicContact SD-CE2 4.14Å
295	V	90.1	Very high	82.4	Confident	32 Å²	32	57.3 Å²	57.3	19%	0.194	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-44.2	173.2	-177.9	0	0	0	0	110.4	E274 N292 L297 Y299	E274-V295 HydrophobicContact CG-CG2 3.71Å; E274-V295 WeakPolarHBondContact OE1-CG2 3.32Å; N292-V295 HydrophobicContact CB-CB 4.09Å; N292-V295 HydrophobicContact CB-CG2 3.75Å; N292-V295 PolarHBondContact O-N 2.9Å; V295-L297 PolarHBondContact O-N 3.48Å; V295-Y299 HydrophobicContact CG1-CG 4.45Å; V295-Y299 WeakPolarHBondContact O-CB 3.37Å; V295-Y299 PolarHBondContact O-N 2.67Å
296	E	90.8	Very high	83.4	Confident	106 Å²	106	55.8 Å²	55.8	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-68.1	-13.3	176.1	-65.9	-165.3	176.7	0	0	114.2	K291 N292 P368	K291-E296 IonicContact NZ-OE1 3.19Å; K291-E296 PolarHBondContact NZ-OE1 3.27Å; K291-E296 IonicContact NZ-OE2 2.76Å; K291-E296 PolarHBondContact NZ-OE2 2.85Å; N292-E296 PolarHBondContact O-N 3.49Å; N292-E296 VanDerWaalsContact O-N 3.08Å; E296-P368 WeakPolarHBondContact O-CD 3.49Å; E296-P368 WeakPolarHBondContact O-CG 3.25Å
297	L	92.3	Very high	84.7	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.037	27%	0.265	C	S	.	.	H	α-helix	trans	-97.4	-40.9	-178.5	-172.7	62.3	0	0	0	113.9	F192 L195 P293 M294 V295 P368 V369 L668	F192-L297 HydrophobicContact CB-CD2 4.13Å; F192-L297 HydrophobicContact CD2-CD2 4.2Å; L195-L297 HydrophobicContact CD1-CD2 4.18Å; P293-L297 VanDerWaalsContact O-CB 3.23Å; P293-L297 WeakPolarHBondContact O-CB 3.5Å; P293-L297 PolarHBondContact O-N 2.7Å; P293-L297 VanDerWaalsContact O-N 3.15Å; M294-L297 PolarHBondContact O-N 2.66Å; M294-L297 VanDerWaalsContact O-N 3.13Å; V295-L297 PolarHBondContact O-N 3.48Å; L297-P368 HydrophobicContact CD1-CB 4.14Å; L297-P368 HydrophobicContact CD1-CG 4.32Å; L297-P368 VanDerWaalsContact O-CD 3.28Å; L297-P368 WeakPolarHBondContact O-CD 3.13Å; L297-V369 HydrophobicContact CD1-CG2 3.73Å; L297-V369 HydrophobicContact CG-CG2 4Å; L297-V369 PolarHBondContact O-N 2.91Å; L297-L668 HydrophobicContact CD1-CD2 3.62Å
298	F	93.2	Very high	85.8	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.013	25%	0.249	C	C	.	.	H	α-helix	trans	-114.4	-18.1	-173.2	-64.4	-76.3	0	0	0	115.3	L186 L189 F192 L270 M294 P367 V369 M659	L186-F298 HydrophobicContact CD2-CE1 3.83Å; L186-F298 HydrophobicContact CD2-CZ 3.54Å; L189-F298 HydrophobicContact CD1-CE1 4.11Å; L189-F298 HydrophobicContact CD1-CZ 4.21Å; F192-F298 AromaticContact CD2-CE2 3.64Å; F192-F298 HydrophobicContact CD2-CE2 3.64Å; F192-F298 AromaticContact CD2-CZ 3.78Å; F192-F298 HydrophobicContact CD2-CZ 3.78Å; F192-F298 AromaticContact CE2-CE2 3.88Å; F192-F298 HydrophobicContact CE2-CE2 3.88Å; F192-F298 HydrophobicContact CE2-CZ 4.18Å; F192-F298 HydrophobicContact CG-CZ 4.46Å; L270-F298 HydrophobicContact CD2-CD2 3.68Å; L270-F298 HydrophobicContact CD2-CE2 3.8Å; L270-F298 HydrophobicContact CD2-CG 4.07Å; L270-F298 HydrophobicContact CD2-CZ 4.3Å; M294-F298 PolarHBondContact O-N 2.71Å; M294-F298 HydrophobicContact SD-CE2 4.14Å; F298-P367 WeakPolarHBondContact O-CB 3.46Å; F298-V369 HydrophobicContact CD1-CB 3.88Å; F298-V369 HydrophobicContact CD1-CG1 4Å; F298-V369 HydrophobicContact CE1-CB 3.95Å; F298-V369 HydrophobicContact CE1-CG1 3.8Å; F298-V369 HydrophobicContact CE1-CG2 4.32Å; F298-M659 HydrophobicContact CE1-CE 4.42Å
299	Y	93.6	Very high	86.6	Confident	42 Å²	42	50.7 Å²	50.7	17%	0.165	25%	0.246	C	C	.	.			trans	-106.1	141.2	-173.7	-65.9	-109.2	0	0	0	112.6	V295 M318 F319	V295-Y299 HydrophobicContact CG1-CG 4.45Å; V295-Y299 WeakPolarHBondContact O-CB 3.37Å; V295-Y299 PolarHBondContact O-N 2.67Å; Y299-M318 HydrophobicContact CD1-CG 4.23Å; Y299-M318 HydrophobicContact CD1-SD 3.95Å; Y299-M318 HydrophobicContact CG-SD 4.4Å; Y299-F319 CarbonylContact C-O 3.58Å; Y299-F319 VanDerWaalsContact CA-O 3.26Å; Y299-F319 WeakPolarHBondContact CA-O 3.49Å
300	G	94	Very high	87.1	Confident	3 Å²	3	43.9 Å²	43.9	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	-169.4	174.8	0	0	0	0	0	112.2	M318 F319 E365	G300-M318 WeakPolarHBondContact O-CA 3.45Å; G300-M318 VanDerWaalsContact O-CG 3.3Å; G300-M318 WeakPolarHBondContact O-CG 3.49Å; G300-F319 VanDerWaalsContact C-CD1 3.47Å; G300-F319 VanDerWaalsContact C-CE1 3.45Å; G300-F319 PolarHBondContact N-O 2.97Å; G300-F319 PolarHBondContact O-N 3.35Å; G300-E365 CarbonylContact C-O 2.91Å; G300-E365 VanDerWaalsContact CA-O 3.29Å; G300-E365 WeakPolarHBondContact CA-O 3.43Å
301	R	94.9	Very high	87.8	Confident	105 Å²	105	47.9 Å²	47.9	40%	0.396	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.3	175.5	-59.1	-171.8	-176.1	120.7	0.2	112	T316 E317 T364 E365	R301-T316 HydrophobicContact CB-CG2 4.26Å; R301-E317 CarbonylContact C-O 3.6Å; R301-E317 WeakPolarHBondContact CA-O 3.24Å; R301-T364 PolarHBondContact O-N 3.41Å; R301-T364 PolarHBondContact O-OG1 2.91Å; R301-T364 VanDerWaalsContact O-OG1 3.09Å; R301-E365 HydrophobicContact CB-CB 4.23Å; R301-E365 WeakPolarHBondContact CD-OE2 3.27Å; R301-E365 WeakPolarHBondContact CG-OE2 3.31Å; R301-E365 IonicContact CZ-OE2 3.45Å; R301-E365 PolarHBondContact N-O 3.32Å; R301-E365 IonicContact NE-OE2 2.73Å; R301-E365 IonicContact NH1-OE1 2.94Å; R301-E365 IonicContact NH1-OE2 3.26Å; R301-E365 PolarHBondContact NH1-OE2 2.84Å; R301-E365 PolarHBondContact O-N 2.94Å; R301-E365 VanDerWaalsContact O-N 3.11Å; R301-E365 VanDerWaalsContact O-O 3.09Å
302	F	95.4	Very high	88.2	Confident	16 Å²	16	50.7 Å²	50.7	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	164.2	170	73	-86.4	0	0	0	110.9	A304 T316 E317 F319 H361 W362 F363	F302-A304 HydrophobicContact CE2-CB 4.27Å; F302-T316 WeakPolarHBondContact O-CA 3.13Å; F302-E317 HydrophobicContact CD1-CB 4.29Å; F302-E317 HydrophobicContact CE1-CB 3.69Å; F302-E317 HydrophobicContact CE2-CB 4.19Å; F302-E317 HydrophobicContact CZ-CB 3.63Å; F302-E317 HydrophobicContact CZ-CG 4.45Å; F302-E317 WeakPolarHBondContact CZ-OE2 3.45Å; F302-E317 PolarHBondContact N-O 3.05Å; F302-E317 PolarHBondContact O-N 2.99Å; F302-F319 HydrophobicContact CD1-CB 4.16Å; F302-F319 AromaticContact CD1-CD1 3.9Å; F302-F319 HydrophobicContact CD1-CD1 3.9Å; F302-F319 HydrophobicContact CD1-CG 4.31Å; F302-F319 HydrophobicContact CE1-CB 4.2Å; F302-H361 HydrophobicContact CD2-CB 3.89Å; F302-H361 AromaticContact CD2-CG 3.86Å; F302-H361 HydrophobicContact CE2-CB 4.33Å; F302-H361 AromaticContact CE2-CG 3.78Å; F302-H361 AromaticContact CE2-ND1 3.77Å; F302-W362 CarbonylContact C-O 3.49Å; F302-W362 WeakPolarHBondContact CA-O 3.39Å; F302-F363 HydrophobicContact CB-CD1 3.89Å; F302-F363 HydrophobicContact CB-CE1 4.31Å
303	L	94.3	Very high	88.3	Confident	13 Å²	13	53 Å²	53	7%	0.068	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	109.8	-176.7	-172.9	78.1	0	0	0	108.4	V305 E314 N315 T316 H361 W362 T364	L303-V305 HydrophobicContact CD2-CG2 3.63Å; L303-V305 HydrophobicContact CG-CG2 3.69Å; L303-E314 HydrophobicContact CD1-CG 3.75Å; L303-E314 HydrophobicContact CD2-CG 4.35Å; L303-E314 HydrophobicContact CG-CG 4.17Å; L303-N315 CarbonylContact C-O 3.59Å; L303-N315 VanDerWaalsContact CA-O 3.31Å; L303-N315 WeakPolarHBondContact CA-O 3.09Å; L303-T316 WeakPolarHBondContact CD1-OG1 3.46Å; L303-H361 CarbonylContact O-C 3.49Å; L303-H361 WeakPolarHBondContact O-CA 3.43Å; L303-W362 WeakPolarHBondContact CB-O 3.08Å; L303-W362 PolarHBondContact N-O 2.97Å; L303-W362 PolarHBondContact O-N 3.06Å; L303-T364 HydrophobicContact CB-CG2 3.84Å
304	A	91.6	Very high	88.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	112.3	172.4	0	0	0	0	0	109	F302 F313 E314 N315	F302-A304 HydrophobicContact CE2-CB 4.27Å; A304-F313 HydrophobicContact CB-CE2 4.43Å; A304-E314 CarbonylContact O-C 3.54Å; A304-E314 WeakPolarHBondContact O-CA 3.16Å; A304-N315 HydrophobicContact CB-CB 4.49Å; A304-N315 PolarHBondContact N-O 2.73Å; A304-N315 PolarHBondContact O-N 2.95Å
305	V	89.5	Confident	88.6	Confident	27 Å²	27	60.9 Å²	60.9	16%	0.164	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.8	-178.7	-174.3	0	0	0	0	108.8	L303 E314 E360	L303-V305 HydrophobicContact CD2-CG2 3.63Å; L303-V305 HydrophobicContact CG-CG2 3.69Å; V305-E314 HydrophobicContact CG2-CG 4.28Å; V305-E360 PolarHBondContact N-O 3.01Å; V305-E360 PolarHBondContact O-N 2.94Å
306	G	85.8	Confident	88.7	Confident	8 Å²	8	63.2 Å²	63.2	8%	0.082	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	-175.4	-176.8	0	0	0	0	0	115.1	K312 F313 G358	G306-K312 WeakPolarHBondContact O-CA 3.23Å; G306-F313 VanDerWaalsContact C-CD1 3.49Å; G306-F313 PolarHBondContact N-O 2.8Å; G306-F313 VanDerWaalsContact N-O 3.13Å; G306-F313 WeakPolarHBondContact O-CD1 3.49Å; G306-F313 PolarHBondContact O-N 3.12Å; G306-G358 CarbonylContact C-O 3.42Å; G306-G358 WeakPolarHBondContact CA-O 3.33Å
307	V	83.1	Confident	88.9	Confident	44 Å²	44	61.8 Å²	61.8	27%	0.267	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.2	172.7	-178.5	0	0	0	0	108.7	K311 K312 S357 G358	V307-K311 WeakPolarHBondContact CA-O 3.39Å; V307-K312 HydrophobicContact CG2-CG 4.28Å; V307-S357 WeakPolarHBondContact O-CA 3.45Å; V307-S357 WeakPolarHBondContact O-CB 3.44Å; V307-G358 PolarHBondContact N-O 2.77Å; V307-G358 PolarHBondContact O-N 3.16Å
308	L	78.4	Confident	88.8	Confident	86 Å²	86	66.6 Å²	66.6	45%	0.45	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.6	171.4	-81.5	164.8	0	0	0	108.3	G310 K311 F313	L308-G310 PolarHBondContact O-N 3.1Å; L308-G310 VanDerWaalsContact O-N 3.13Å; L308-K311 PolarHBondContact N-O 2.83Å; L308-K311 WeakPolarHBondContact O-CB 3.42Å; L308-K311 PolarHBondContact O-N 3.44Å; L308-F313 HydrophobicContact CB-CD1 4.2Å; L308-F313 HydrophobicContact CB-CE1 4.27Å; L308-F313 HydrophobicContact CD1-CD1 3.84Å; L308-F313 HydrophobicContact CD1-CE1 3.58Å; L308-F313 HydrophobicContact CD1-CZ 4.11Å; L308-F313 HydrophobicContact CG-CD1 4.03Å; L308-F313 HydrophobicContact CG-CE1 3.65Å; L308-F313 HydrophobicContact CG-CZ 4.5Å
309	E	78.1	Confident	88.8	Confident	152 Å²	152	67.1 Å²	67.1	71%	0.71	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	33.5	-176.8	-50.5	-179.3	146.9	0	0	114.1	K311	E309-K311 PolarHBondContact O-N 3.14Å; E309-K311 IonicContact OE2-NZ 2.75Å; E309-K311 PolarHBondContact OE2-NZ 3.39Å
310	G	74.5	Confident	88.6	Confident	46 Å²	46	65.6 Å²	65.6	47%	0.474	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	-3.8	-174.8	0	0	0	0	0	115.6	L308	L308-G310 PolarHBondContact O-N 3.1Å; L308-G310 VanDerWaalsContact O-N 3.13Å
311	K	82.6	Confident	88.4	Confident	133 Å²	133	67.3 Å²	67.3	58%	0.578	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	134.7	171.7	-57.4	163.8	-165.6	139.2	0	109	V307 L308 E309	V307-K311 WeakPolarHBondContact CA-O 3.39Å; L308-K311 PolarHBondContact N-O 2.83Å; L308-K311 WeakPolarHBondContact O-CB 3.42Å; L308-K311 PolarHBondContact O-N 3.44Å; E309-K311 PolarHBondContact O-N 3.14Å; E309-K311 IonicContact OE2-NZ 2.75Å; E309-K311 PolarHBondContact OE2-NZ 3.39Å
312	K	86.3	Confident	88.3	Confident	191 Å²	191	62.9 Å²	62.9	83%	0.83	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	138.8	169.6	-66.7	-172.5	176.1	-170.3	0	110	G306 V307	G306-K312 WeakPolarHBondContact O-CA 3.23Å; V307-K312 HydrophobicContact CG2-CG 4.28Å
313	F	88.1	Confident	88.1	Confident	57 Å²	57	65.9 Å²	65.9	25%	0.25	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	157.9	169.5	72.2	-85.1	0	0	0	110.3	A304 G306 L308 Q359	A304-F313 HydrophobicContact CB-CE2 4.43Å; G306-F313 VanDerWaalsContact C-CD1 3.49Å; G306-F313 PolarHBondContact N-O 2.8Å; G306-F313 VanDerWaalsContact N-O 3.13Å; G306-F313 WeakPolarHBondContact O-CD1 3.49Å; G306-F313 PolarHBondContact O-N 3.12Å; L308-F313 HydrophobicContact CB-CD1 4.2Å; L308-F313 HydrophobicContact CB-CE1 4.27Å; L308-F313 HydrophobicContact CD1-CD1 3.84Å; L308-F313 HydrophobicContact CD1-CE1 3.58Å; L308-F313 HydrophobicContact CD1-CZ 4.11Å; L308-F313 HydrophobicContact CG-CD1 4.03Å; L308-F313 HydrophobicContact CG-CE1 3.65Å; L308-F313 HydrophobicContact CG-CZ 4.5Å; F313-Q359 HydrophobicContact CZ-CB 4.31Å; F313-Q359 HydrophobicContact CZ-CG 4.14Å; F313-Q359 VanDerWaalsContact CZ-OE1 3.3Å
314	E	91.9	Very high	88	Confident	128 Å²	128	65.3 Å²	65.3	60%	0.598	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.4	104.6	-177.1	-176.7	160.6	-163.1	0	0	106.5	L303 A304 V305	L303-E314 HydrophobicContact CD1-CG 3.75Å; L303-E314 HydrophobicContact CD2-CG 4.35Å; L303-E314 HydrophobicContact CG-CG 4.17Å; A304-E314 CarbonylContact O-C 3.54Å; A304-E314 WeakPolarHBondContact O-CA 3.16Å; V305-E314 HydrophobicContact CG2-CG 4.28Å
315	N	91.9	Very high	87.9	Confident	80 Å²	80	69.2 Å²	69.2	43%	0.428	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	149.1	-179.9	-165.8	30.2	0	0	0	110.4	L303 A304 E317	L303-N315 CarbonylContact C-O 3.59Å; L303-N315 VanDerWaalsContact CA-O 3.31Å; L303-N315 WeakPolarHBondContact CA-O 3.09Å; A304-N315 HydrophobicContact CB-CB 4.49Å; A304-N315 PolarHBondContact N-O 2.73Å; A304-N315 PolarHBondContact O-N 2.95Å; N315-E317 WeakPolarHBondContact ND2-CG 3.39Å; N315-E317 PolarHBondContact ND2-OE1 3.36Å
316	T	93.5	Very high	87.9	Confident	80 Å²	80	68 Å²	68	49%	0.491	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.9	174.5	-56.7	0	0	0	0	109.6	R301 F302 L303	R301-T316 HydrophobicContact CB-CG2 4.26Å; F302-T316 WeakPolarHBondContact O-CA 3.13Å; L303-T316 WeakPolarHBondContact CD1-OG1 3.46Å
317	E	93.1	Very high	88	Confident	77 Å²	77	70.3 Å²	70.3	36%	0.36	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.3	-172.7	-71.4	170.2	-143	0	0	110.3	R301 F302 N315	R301-E317 CarbonylContact C-O 3.6Å; R301-E317 WeakPolarHBondContact CA-O 3.24Å; F302-E317 HydrophobicContact CD1-CB 4.29Å; F302-E317 HydrophobicContact CE1-CB 3.69Å; F302-E317 HydrophobicContact CE2-CB 4.19Å; F302-E317 HydrophobicContact CZ-CB 3.63Å; F302-E317 HydrophobicContact CZ-CG 4.45Å; F302-E317 WeakPolarHBondContact CZ-OE2 3.45Å; F302-E317 PolarHBondContact N-O 3.05Å; F302-E317 PolarHBondContact O-N 2.99Å; N315-E317 WeakPolarHBondContact ND2-CG 3.39Å; N315-E317 PolarHBondContact ND2-OE1 3.36Å
318	M	92.1	Very high	88	Confident	107 Å²	107	71.3 Å²	71.3	53%	0.527	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	142.6	176.7	-168	-172.3	-63.1	0	0	109.1	Y299 G300	Y299-M318 HydrophobicContact CD1-CG 4.23Å; Y299-M318 HydrophobicContact CD1-SD 3.95Å; Y299-M318 HydrophobicContact CG-SD 4.4Å; G300-M318 WeakPolarHBondContact O-CA 3.45Å; G300-M318 VanDerWaalsContact O-CG 3.3Å; G300-M318 WeakPolarHBondContact O-CG 3.49Å
319	F	92.4	Very high	88.6	Confident	15 Å²	15	69.8 Å²	69.8	7%	0.066	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.1	174.5	77.1	-78.8	0	0	0	110	Y299 G300 F302 Y322 F363 L366 L370	Y299-F319 CarbonylContact C-O 3.58Å; Y299-F319 VanDerWaalsContact CA-O 3.26Å; Y299-F319 WeakPolarHBondContact CA-O 3.49Å; G300-F319 VanDerWaalsContact C-CD1 3.47Å; G300-F319 VanDerWaalsContact C-CE1 3.45Å; G300-F319 PolarHBondContact N-O 2.97Å; G300-F319 PolarHBondContact O-N 3.35Å; F302-F319 HydrophobicContact CD1-CB 4.16Å; F302-F319 AromaticContact CD1-CD1 3.9Å; F302-F319 HydrophobicContact CD1-CD1 3.9Å; F302-F319 HydrophobicContact CD1-CG 4.31Å; F302-F319 HydrophobicContact CE1-CB 4.2Å; F319-Y322 AromaticContact CD2-CD2 3.9Å; F319-Y322 HydrophobicContact CD2-CD2 3.9Å; F319-Y322 HydrophobicContact CE2-CD2 4.26Å; F319-Y322 HydrophobicContact CG-CD2 4.27Å; F319-F363 HydrophobicContact CD1-CD1 4.42Å; F319-F363 HydrophobicContact CD1-CE1 4.24Å; F319-F363 AromaticContact CE1-CD1 3.57Å; F319-F363 HydrophobicContact CE1-CD1 3.57Å; F319-F363 AromaticContact CE1-CE1 3.62Å; F319-F363 HydrophobicContact CE1-CE1 3.62Å; F319-F363 AromaticContact CE2-CE1 3.97Å; F319-F363 HydrophobicContact CE2-CE1 3.97Å; F319-F363 AromaticContact CZ-CD1 3.7Å; F319-F363 HydrophobicContact CZ-CD1 3.7Å; F319-F363 AromaticContact CZ-CE1 3.47Å; F319-F363 HydrophobicContact CZ-CE1 3.47Å; F319-F363 VanDerWaalsContact CZ-CE1 3.47Å; F319-F363 HydrophobicContact CZ-CZ 4.49Å; F319-L366 HydrophobicContact CZ-CD2 3.97Å; F319-L370 HydrophobicContact CE2-CD1 3.71Å; F319-L370 HydrophobicContact CZ-CD1 4.15Å
320	G	89.4	Confident	89.2	Confident	10 Å²	10	70 Å²	70	10%	0.103	37%	0.368	C	S	.	.	S	Bend	trans	-104.5	-91.1	166.9	0	0	0	0	0	109.2
321	Q	89.7	Confident	90.2	Very high	38 Å²	38	70.6 Å²	70.6	18%	0.178	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.7	167.5	-172.4	164.7	-34.5	0	0	110.4	T266 T371 E373	T266-Q321 PolarHBondContact OG1-OE1 3.38Å; Q321-T371 VanDerWaalsContact CA-OG1 3.28Å; Q321-T371 WeakPolarHBondContact CA-OG1 3.36Å; Q321-T371 WeakPolarHBondContact CB-OG1 3.34Å; Q321-E373 HydrophobicContact CG-CB 4.19Å; Q321-E373 PolarHBondContact NE2-OE2 3.23Å
322	Y	92.4	Very high	90.8	Very high	12 Å²	12	64.3 Å²	64.3	5%	0.047	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.4	179.2	-162.2	-73.5	0	0	0	109.9	F319 L324 A339 H361 F363 T371 F372 E373	F319-Y322 AromaticContact CD2-CD2 3.9Å; F319-Y322 HydrophobicContact CD2-CD2 3.9Å; F319-Y322 HydrophobicContact CE2-CD2 4.26Å; F319-Y322 HydrophobicContact CG-CD2 4.27Å; Y322-L324 HydrophobicContact CD1-CD2 3.8Å; Y322-L324 HydrophobicContact CD1-CG 4.48Å; Y322-L324 HydrophobicContact CE1-CD2 3.95Å; Y322-A339 HydrophobicContact CE1-CB 4.22Å; Y322-A339 PolarHBondContact OH-O 3.45Å; Y322-H361 AromaticContact CZ-CE1 3.47Å; Y322-H361 VanDerWaalsContact CZ-CE1 3.47Å; Y322-H361 PolarHBondContact OH-CE1 3.47Å; Y322-H361 PolarHBondContact OH-ND1 2.85Å; Y322-F363 AromaticContact CD2-CE1 3.68Å; Y322-F363 HydrophobicContact CD2-CE1 3.68Å; Y322-F363 AromaticContact CD2-CZ 3.65Å; Y322-F363 HydrophobicContact CD2-CZ 3.65Å; Y322-F363 AromaticContact CE2-CE1 3.68Å; Y322-F363 HydrophobicContact CE2-CE1 3.68Å; Y322-F363 AromaticContact CE2-CZ 3.59Å; Y322-F363 HydrophobicContact CE2-CZ 3.59Å; Y322-F363 HydrophobicContact CG-CZ 4.34Å; Y322-T371 PolarHBondContact N-O 3.06Å; Y322-F372 WeakPolarHBondContact O-CA 3.49Å; Y322-E373 PolarHBondContact O-N 3.02Å; Y322-E373 VanDerWaalsContact O-N 3.07Å
323	P	91.3	Very high	91.2	Very high	79 Å²	79	56.9 Å²	56.9	51%	0.513	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	141.1	-176.2	31.6	-34.5	0	0	0	112.8	E373	P323-E373 HydrophobicContact CB-CB 4.31Å
324	L	92.2	Very high	91.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.5	-179.9	-57.4	175.9	0	0	0	111.1	Y322 L332 C335 L336 A339 F372 E373 L374 S375	Y322-L324 HydrophobicContact CD1-CD2 3.8Å; Y322-L324 HydrophobicContact CD1-CG 4.48Å; Y322-L324 HydrophobicContact CE1-CD2 3.95Å; L324-L332 HydrophobicContact CD1-CD1 3.46Å; L324-L332 VanDerWaalsContact CD1-CD1 3.46Å; L324-C335 HydrophobicContact CB-CB 4.5Å; L324-C335 HydrophobicContact CD1-CB 4.37Å; L324-L336 HydrophobicContact CD1-CD2 4.11Å; L324-L336 HydrophobicContact CD1-CG 4.05Å; L324-L336 HydrophobicContact CD2-CD2 3.71Å; L324-L336 HydrophobicContact CD2-CG 4.18Å; L324-A339 HydrophobicContact CD2-CB 3.53Å; L324-F372 HydrophobicContact CD1-CB 4.07Å; L324-F372 HydrophobicContact CD1-CD1 3.86Å; L324-F372 HydrophobicContact CD1-CG 4.1Å; L324-F372 HydrophobicContact CG-CD1 4.38Å; L324-E373 WeakPolarHBondContact CB-O 3.3Å; L324-E373 PolarHBondContact N-O 2.95Å; L324-L374 HydrophobicContact CB-CD2 4.46Å; L324-L374 HydrophobicContact CD1-CD2 4.31Å; L324-S375 PolarHBondContact O-N 3.42Å
325	Q	89.8	Confident	91.4	Very high	83 Å²	83	50.8 Å²	50.8	39%	0.388	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.6	167.8	-162.9	71.5	1	0	0	109.3	F329 C335 S375 E378	Q325-F329 VanDerWaalsContact O-CD2 3.31Å; Q325-F329 WeakPolarHBondContact O-CD2 3.26Å; Q325-F329 WeakPolarHBondContact O-CE2 3.27Å; Q325-C335 PolarHBondContact O-SG 2.97Å; Q325-C335 VanDerWaalsContact O-SG 3.33Å; Q325-S375 PolarHBondContact OE1-OG 3.39Å; Q325-E378 PolarHBondContact NE2-OE1 2.85Å
326	V	89.6	Confident	91.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.			trans	-92.2	-19.3	-176.9	177	0	0	0	0	113.5	L374 S375 R376 I389 L393	V326-L374 HydrophobicContact CG2-CB 3.8Å; V326-L374 HydrophobicContact CG2-CD2 4.31Å; V326-S375 WeakPolarHBondContact CB-O 3.38Å; V326-S375 WeakPolarHBondContact CG2-O 3.43Å; V326-S375 PolarHBondContact N-O 3.25Å; V326-R376 HydrophobicContact CB-CG 3.92Å; V326-R376 HydrophobicContact CG1-CG 4.07Å; V326-R376 HydrophobicContact CG2-CG 3.82Å; V326-I389 HydrophobicContact CB-CD1 3.98Å; V326-I389 HydrophobicContact CG1-CD1 3.99Å; V326-L393 HydrophobicContact CG1-CB 3.92Å; V326-L393 HydrophobicContact CG1-CD2 3.97Å; V326-L393 HydrophobicContact CG1-CG 4.37Å; V326-L393 HydrophobicContact CG2-CD2 4.01Å
327	N	86.8	Confident	91.3	Very high	57 Å²	57	45 Å²	45	31%	0.305	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	145.6	-172.5	-165.4	21.2	0	0	0	113.6	F329 E378 I389 N391	N327-F329 WeakPolarHBondContact O-CD2 3.3Å; N327-F329 WeakPolarHBondContact O-CE2 3.43Å; N327-F329 PolarHBondContact O-N 2.84Å; N327-E378 VanDerWaalsContact CB-CD 3.46Å; N327-E378 HydrophobicContact CB-CG 4.45Å; N327-E378 WeakPolarHBondContact CB-OE1 3.43Å; N327-E378 PolarHBondContact ND2-OE2 3.43Å; N327-I389 HydrophobicContact CB-CD1 3.69Å; N327-N391 PolarHBondContact OD1-ND2 3Å
328	G	83.9	Confident	91.2	Very high	65 Å²	65	43.1 Å²	43.1	67%	0.67	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	-15.2	178.8	0	0	0	0	0	115.6
329	F	91.3	Very high	91	Very high	54 Å²	54	39.4 Å²	39.4	24%	0.237	22%	0.223	C	C	.	.			trans	-101.1	147.4	-173.4	-51.7	-55.7	0	0	0	112.7	Q325 N327 E334 C335 A338 L393	Q325-F329 VanDerWaalsContact O-CD2 3.31Å; Q325-F329 WeakPolarHBondContact O-CD2 3.26Å; Q325-F329 WeakPolarHBondContact O-CE2 3.27Å; N327-F329 WeakPolarHBondContact O-CD2 3.3Å; N327-F329 WeakPolarHBondContact O-CE2 3.43Å; N327-F329 PolarHBondContact O-N 2.84Å; F329-E334 HydrophobicContact CB-CB 4.38Å; F329-E334 HydrophobicContact CD1-CB 4.39Å; F329-E334 HydrophobicContact CD1-CG 3.91Å; F329-C335 VanDerWaalsContact CB-SG 3.58Å; F329-C335 HydrophobicContact CD2-CB 4.35Å; F329-C335 VanDerWaalsContact CD2-SG 3.5Å; F329-A338 HydrophobicContact CE1-CB 3.57Å; F329-A338 HydrophobicContact CE2-CB 4.08Å; F329-A338 HydrophobicContact CZ-CB 3.3Å; F329-L393 HydrophobicContact CB-CD1 4.45Å
330	K	91.2	Very high	90.8	Very high	156 Å²	156	38.7 Å²	38.7	68%	0.678	22%	0.22	S	C	*	.	S	Bend	trans	-94.7	-32.7	178.6	-65.7	-175.8	179.5	-178.3	0	113.8	E334 E394	K330-E334 PolarHBondContact N-OE2 3.34Å; K330-E394 PolarHBondContact O-N 2.87Å
331	D	93.8	Very high	90.4	Very high	60 Å²	60	41 Å²	41	32%	0.321	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-140.8	160.3	-173.9	69.8	69.5	0	0	0	112.8	H333 E334 C335 E394	D331-H333 PolarHBondContact O-N 3.33Å; D331-H333 VanDerWaalsContact OD1-CA 3.28Å; D331-H333 WeakPolarHBondContact OD1-CA 3.22Å; D331-H333 WeakPolarHBondContact OD1-CB 3.49Å; D331-H333 PolarHBondContact OD1-N 3.15Å; D331-E334 PolarHBondContact O-N 3.31Å; D331-E334 VanDerWaalsContact O-N 3.08Å; D331-E334 PolarHBondContact OD1-N 3.07Å; D331-C335 PolarHBondContact O-N 2.76Å; D331-E394 CarbonylContact C-O 3.4Å; D331-E394 WeakPolarHBondContact CA-O 3.26Å; D331-E394 HydrophobicContact CB-CB 4.45Å
332	L	95.7	Very high	89.5	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-28.8	-178.7	-175.7	63.9	0	0	0	113	L324 L336 F372 L374 E394 F395 L399 L658 Y660	L324-L332 HydrophobicContact CD1-CD1 3.46Å; L324-L332 VanDerWaalsContact CD1-CD1 3.46Å; L332-L336 HydrophobicContact CD1-CD1 4.4Å; L332-L336 HydrophobicContact CG-CD1 4.05Å; L332-L336 WeakPolarHBondContact O-CB 3.32Å; L332-L336 WeakPolarHBondContact O-CG 3.16Å; L332-L336 PolarHBondContact O-N 2.6Å; L332-F372 HydrophobicContact CD2-CD2 4.48Å; L332-L374 HydrophobicContact CD1-CD2 4.37Å; L332-E394 PolarHBondContact N-O 2.72Å; L332-F395 HydrophobicContact CB-CB 3.95Å; L332-F395 HydrophobicContact CD2-CB 3.97Å; L332-L399 HydrophobicContact CD2-CD1 4.31Å; L332-L399 HydrophobicContact CD2-CD2 4.12Å; L332-L658 HydrophobicContact CD1-CD1 4.2Å; L332-L658 HydrophobicContact CD2-CD1 3.89Å; L332-Y660 HydrophobicContact CD2-CE2 3.94Å; L332-Y660 WeakPolarHBondContact CD2-OH 3.18Å
333	H	94.4	Very high	87.8	Confident	36 Å²	36	45 Å²	45	17%	0.167	27%	0.265	C	S	.	.	H	α-helix	trans	-71.7	-36.7	176.1	-80.6	-57.8	0	0	0	111.7	D331 L336 E337 L399 R403 Y404	D331-H333 PolarHBondContact O-N 3.33Å; D331-H333 VanDerWaalsContact OD1-CA 3.28Å; D331-H333 WeakPolarHBondContact OD1-CA 3.22Å; D331-H333 WeakPolarHBondContact OD1-CB 3.49Å; D331-H333 PolarHBondContact OD1-N 3.15Å; H333-L336 PolarHBondContact O-N 3.2Å; H333-E337 WeakPolarHBondContact O-CB 3.46Å; H333-E337 WeakPolarHBondContact O-CG 3.28Å; H333-E337 PolarHBondContact O-N 2.8Å; H333-L399 VanDerWaalsContact CE1-CD1 3.43Å; H333-L399 WeakPolarHBondContact CE1-CD1 3.38Å; H333-R403 PolarHBondContact CD2-NH2 3.18Å; H333-R403 VanDerWaalsContact CD2-NH2 3.26Å; H333-R403 PolarHBondContact CE1-NH2 3.16Å; H333-R403 PolarHBondContact NE2-NH2 3.19Å; H333-Y404 VanDerWaalsContact CA-OH 3.25Å; H333-Y404 WeakPolarHBondContact CA-OH 3.43Å; H333-Y404 AromaticContact ND1-CE2 3.61Å; H333-Y404 AromaticContact ND1-CZ 3.66Å; H333-Y404 PolarHBondContact ND1-OH 2.92Å; H333-Y404 PolarHBondContact O-OH 2.96Å; H333-Y404 VanDerWaalsContact O-OH 3.04Å
334	E	92.1	Very high	85.9	Confident	56 Å²	56	46.8 Å²	46.8	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-69.1	-42.7	174.7	-155.6	168.3	-132.6	0	0	111.5	F329 K330 D331 L336 E337 A338 K423	F329-E334 HydrophobicContact CB-CB 4.38Å; F329-E334 HydrophobicContact CD1-CB 4.39Å; F329-E334 HydrophobicContact CD1-CG 3.91Å; K330-E334 PolarHBondContact N-OE2 3.34Å; D331-E334 PolarHBondContact O-N 3.31Å; D331-E334 VanDerWaalsContact O-N 3.08Å; D331-E334 PolarHBondContact OD1-N 3.07Å; E334-L336 PolarHBondContact O-N 2.98Å; E334-E337 PolarHBondContact O-N 2.81Å; E334-A338 PolarHBondContact O-N 2.89Å; E334-K423 IonicContact OE1-NZ 3.68Å; E334-K423 PolarHBondContact OE1-NZ 3.15Å
335	C	92.9	Very high	83.6	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-53.9	-50.1	168.9	-80.4	0	0	0	0	112.3	L324 Q325 F329 D331 A338 A339 L393	L324-C335 HydrophobicContact CB-CB 4.5Å; L324-C335 HydrophobicContact CD1-CB 4.37Å; Q325-C335 PolarHBondContact O-SG 2.97Å; Q325-C335 VanDerWaalsContact O-SG 3.33Å; F329-C335 VanDerWaalsContact CB-SG 3.58Å; F329-C335 HydrophobicContact CD2-CB 4.35Å; F329-C335 VanDerWaalsContact CD2-SG 3.5Å; D331-C335 PolarHBondContact O-N 2.76Å; C335-A338 PolarHBondContact O-N 2.85Å; C335-A339 VanDerWaalsContact O-CB 3.31Å; C335-A339 WeakPolarHBondContact O-CB 3.3Å; C335-A339 PolarHBondContact O-N 2.93Å; C335-L393 VanDerWaalsContact SG-CD1 3.55Å
336	L	93.8	Very high	81.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.7	-35.6	-179.4	-80.8	164.9	0	0	0	113.1	L324 L332 H333 E334 A338 M340 F372 L399 Y404	L324-L336 HydrophobicContact CD1-CD2 4.11Å; L324-L336 HydrophobicContact CD1-CG 4.05Å; L324-L336 HydrophobicContact CD2-CD2 3.71Å; L324-L336 HydrophobicContact CD2-CG 4.18Å; L332-L336 HydrophobicContact CD1-CD1 4.4Å; L332-L336 HydrophobicContact CG-CD1 4.05Å; L332-L336 WeakPolarHBondContact O-CB 3.32Å; L332-L336 WeakPolarHBondContact O-CG 3.16Å; L332-L336 PolarHBondContact O-N 2.6Å; H333-L336 PolarHBondContact O-N 3.2Å; E334-L336 PolarHBondContact O-N 2.98Å; L336-A338 VanDerWaalsContact C-N 3.33Å; L336-M340 WeakPolarHBondContact O-CB 3.49Å; L336-M340 VanDerWaalsContact O-CG 3.23Å; L336-M340 WeakPolarHBondContact O-CG 3.34Å; L336-M340 PolarHBondContact O-N 3.23Å; L336-F372 HydrophobicContact CD1-CE1 4.24Å; L336-F372 HydrophobicContact CD1-CZ 4Å; L336-F372 HydrophobicContact CD2-CD1 4.24Å; L336-F372 HydrophobicContact CD2-CE1 3.61Å; L336-F372 HydrophobicContact CD2-CZ 4.18Å; L336-F372 HydrophobicContact CG-CE1 4.44Å; L336-L399 HydrophobicContact CD1-CD2 4.37Å; L336-Y404 HydrophobicContact CB-CE1 3.67Å; L336-Y404 HydrophobicContact CB-CE2 4.25Å; L336-Y404 WeakPolarHBondContact CB-OH 3.37Å; L336-Y404 HydrophobicContact CD1-CE2 4.06Å
337	E	90.4	Very high	78.5	Confident	38 Å²	38	58.9 Å²	58.9	18%	0.178	33%	0.333	C	S	.	.	H	α-helix	trans	-70.1	-29.8	175.8	-75.6	-168.8	-142.8	0	0	112.4	H333 E334 V341 R403 Y404 R416 Y587	H333-E337 WeakPolarHBondContact O-CB 3.46Å; H333-E337 WeakPolarHBondContact O-CG 3.28Å; H333-E337 PolarHBondContact O-N 2.8Å; E334-E337 PolarHBondContact O-N 2.81Å; E337-V341 WeakPolarHBondContact O-CG2 3.27Å; E337-R403 WeakPolarHBondContact OE1-CD 3.5Å; E337-R403 IonicContact OE1-CZ 3.18Å; E337-R403 IonicContact OE1-NE 2.85Å; E337-R403 IonicContact OE1-NH1 2.69Å; E337-R403 PolarHBondContact OE1-NH1 2.93Å; E337-Y404 HydrophobicContact CG-CE1 3.6Å; E337-R416 IonicContact OE2-NE 3.22Å; E337-Y587 WeakPolarHBondContact OE1-CE2 3.33Å; E337-Y587 PolarHBondContact OE2-OH 3.01Å
338	A	89.4	Confident	76.1	Confident	38 Å²	38	63.7 Å²	63.7	31%	0.314	36%	0.358	S	S	.	.	H	α-helix	trans	-75.2	-48.1	171.3	0	0	0	0	0	112.7	F329 E334 C335 L336 M340 V341	F329-A338 HydrophobicContact CE1-CB 3.57Å; F329-A338 HydrophobicContact CE2-CB 4.08Å; F329-A338 HydrophobicContact CZ-CB 3.3Å; E334-A338 PolarHBondContact O-N 2.89Å; C335-A338 PolarHBondContact O-N 2.85Å; L336-A338 VanDerWaalsContact C-N 3.33Å; A338-M340 PolarHBondContact O-N 2.92Å; A338-V341 CarbonylContact O-C 3.53Å; A338-V341 PolarHBondContact O-N 3.33Å
339	A	89.4	Confident	74.1	Confident	29 Å²	29	68.6 Å²	68.6	24%	0.24	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-3.4	-179.3	0	0	0	0	0	114.7	Y322 L324 C335 H361	Y322-A339 HydrophobicContact CE1-CB 4.22Å; Y322-A339 PolarHBondContact OH-O 3.45Å; L324-A339 HydrophobicContact CD2-CB 3.53Å; C335-A339 VanDerWaalsContact O-CB 3.31Å; C335-A339 WeakPolarHBondContact O-CB 3.3Å; C335-A339 PolarHBondContact O-N 2.93Å; A339-H361 PolarHBondContact O-CE1 3.45Å
340	M	86.5	Confident	71.4	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	7	173	-63.1	-178.9	80.4	0	0	112.9	L336 A338 E360 H361 F363 Y404	L336-M340 WeakPolarHBondContact O-CB 3.49Å; L336-M340 VanDerWaalsContact O-CG 3.23Å; L336-M340 WeakPolarHBondContact O-CG 3.34Å; L336-M340 PolarHBondContact O-N 3.23Å; A338-M340 PolarHBondContact O-N 2.92Å; M340-E360 WeakPolarHBondContact O-CA 3.35Å; M340-H361 HydrophobicContact CB-CB 4.2Å; M340-H361 HydrophobicContact CE-CB 4.26Å; M340-H361 WeakPolarHBondContact CE-O 3.41Å; M340-H361 HydrophobicContact CG-CB 4.33Å; M340-H361 PolarHBondContact O-N 3.02Å; M340-F363 HydrophobicContact CE-CD2 3.49Å; M340-F363 VanDerWaalsContact CE-CD2 3.49Å; M340-F363 HydrophobicContact CE-CE2 3.42Å; M340-F363 VanDerWaalsContact CE-CE2 3.42Å; M340-F363 HydrophobicContact CE-CG 4.19Å; M340-F363 HydrophobicContact CE-CZ 4.07Å; M340-F363 HydrophobicContact SD-CD2 4.14Å; M340-F363 HydrophobicContact SD-CE2 3.55Å; M340-F363 VanDerWaalsContact SD-CE2 3.55Å; M340-F363 HydrophobicContact SD-CZ 4.24Å; M340-Y404 HydrophobicContact CE-CD1 4.43Å; M340-Y404 HydrophobicContact SD-CD1 3.36Å; M340-Y404 WeakPolarHBondContact SD-CD1 3.47Å; M340-Y404 HydrophobicContact SD-CE1 4.16Å; M340-Y404 HydrophobicContact SD-CG 3.85Å
341	V	81.9	Confident	69	Low	58 Å²	58	66.9 Å²	66.9	35%	0.352	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	83.7	176.3	-175.6	0	0	0	0	108.6	E337 A338 G343	E337-V341 WeakPolarHBondContact O-CG2 3.27Å; A338-V341 CarbonylContact O-C 3.53Å; A338-V341 PolarHBondContact O-N 3.33Å; V341-G343 PolarHBondContact O-N 2.97Å
342	E	70.3	Confident	66.7	Low	79 Å²	79	72.6 Å²	72.6	37%	0.369	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	118.3	174.9	-69.8	174.9	-166.7	0	0	109.3	Q359 H361	E342-Q359 HydrophobicContact CB-CB 4.21Å; E342-Q359 PolarHBondContact N-O 2.74Å; E342-Q359 PolarHBondContact O-N 3.26Å; E342-Q359 PolarHBondContact OE2-NE2 3.17Å; E342-H361 IonicContact OE1-NE2 3.22Å; E342-H361 PolarHBondContact OE1-NE2 3.3Å
343	G	57.2	Low	64.3	Low	54 Å²	54	80.6 Å²	80.6	56%	0.557	45%	0.45	S	S	*	.			trans	-65.5	174.3	-170.9	0	0	0	0	0	114.7	V341 I345	V341-G343 PolarHBondContact O-N 2.97Å; G343-I345 PolarHBondContact O-N 2.58Å
344	E	52	Low	62	Low	117 Å²	117	82.5 Å²	82.5	55%	0.547	47%	0.468	S	S	.	.			trans	-58.8	113	-175.2	-57.2	-165.1	138.2	0	0	111.3	E346 R356 S357	E344-E346 PolarHBondContact O-N 2.89Å; E344-R356 VanDerWaalsContact CD-NH1 3.34Å; E344-R356 WeakPolarHBondContact OE1-CD 3.23Å; E344-R356 IonicContact OE1-CZ 3.23Å; E344-R356 IonicContact OE1-NE 2.78Å; E344-R356 IonicContact OE1-NH1 3.7Å; E344-R356 PolarHBondContact OE1-NH1 2.76Å; E344-R356 IonicContact OE2-CZ 2.9Å; E344-R356 IonicContact OE2-NH1 3.89Å; E344-R356 PolarHBondContact OE2-NH1 3.28Å; E344-S357 WeakPolarHBondContact CA-O 3.34Å
345	I	43.3	Very low	60.1	Low	96 Å²	96	82.4 Å²	82.4	49%	0.492	48%	0.477	S	S	.	.			trans	-71.5	96.7	179.2	-55.4	175.5	0	0	0	108.3	G343 S347 S357	G343-I345 PolarHBondContact O-N 2.58Å; I345-S347 VanDerWaalsContact C-N 3.31Å; I345-S347 PolarHBondContact O-N 2.69Å; I345-S357 PolarHBondContact N-O 3.42Å
346	E	37.3	Very low	58.5	Low	172 Å²	172	91.5 Å²	91.5	80%	0.804	51%	0.511	S	S	*	.			trans	-66.8	89.5	170.8	-72.4	-157.7	146.8	0	0	110.2	E344 L348	E344-E346 PolarHBondContact O-N 2.89Å; E346-L348 PolarHBondContact O-N 2.83Å
347	S	35.5	Very low	57.2	Low	70 Å²	70	92.3 Å²	92.3	49%	0.49	52%	0.517	S	S	.	.			trans	-62.7	101.5	168.8	-179.2	0	0	0	0	109.5	I345 H349 S350	I345-S347 VanDerWaalsContact C-N 3.31Å; I345-S347 PolarHBondContact O-N 2.69Å; S347-H349 PolarHBondContact O-N 2.86Å; S347-S350 PolarHBondContact O-N 2.99Å
348	L	36.8	Very low	56.5	Low	158 Å²	158	91.8 Å²	91.8	83%	0.827	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-2.8	179	-69.3	168.8	0	0	0	114.3	E346	E346-L348 PolarHBondContact O-N 2.83Å
349	H	41.3	Very low	56.3	Low	168 Å²	168	91.8 Å²	91.8	78%	0.778	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	44	-174.5	-67.1	-5.7	0	0	0	113.4	S347	S347-H349 PolarHBondContact O-N 2.86Å
350	S	35.1	Very low	56.4	Low	81 Å²	81	92.3 Å²	92.3	57%	0.566	51%	0.512	S	S	*	.			trans	-152.3	113	158.9	-81	0	0	0	0	113	S347	S347-S350 PolarHBondContact O-N 2.99Å
351	A	40.6	Very low	56.7	Low	94 Å²	94	93.5 Å²	93.5	78%	0.777	52%	0.517	S	S	*	.			trans	-71.8	142.3	167.5	0	0	0	0	0	110.5
352	E	44.7	Very low	57.3	Low	180 Å²	180	90.7 Å²	90.7	84%	0.841	50%	0.501	S	S	*	.	S	Bend	trans	42.4	105	163.2	-59.4	-174.6	153.9	0	0	116.7
353	N	45.7	Very low	58.5	Low	167 Å²	167	87 Å²	87	89%	0.893	48%	0.483	S	S	*	.			trans	92.7	26.8	174.8	-47.2	-77.6	0	0	0	118
354	S	45	Very low	60.4	Low	77 Å²	77	86.8 Å²	86.8	54%	0.538	47%	0.471	S	S	.	.			trans	-69	135.4	156.8	-170.6	0	0	0	0	110.5
355	A	53.1	Low	62.4	Low	53 Å²	53	85.8 Å²	85.8	44%	0.438	47%	0.467	S	S	.	.			trans	-81.2	130	173.6	0	0	0	0	0	109.9	S357	A355-S357 PolarHBondContact O-N 3.17Å; A355-S357 VanDerWaalsContact O-N 3.11Å
356	R	58.2	Low	65	Low	192 Å²	192	82.5 Å²	82.5	73%	0.725	45%	0.45	S	S	*	.			trans	-46.7	115.8	-178.4	-71.1	170.3	177.3	-123.4	2.5	111.6	E344	E344-R356 VanDerWaalsContact CD-NH1 3.34Å; E344-R356 WeakPolarHBondContact OE1-CD 3.23Å; E344-R356 IonicContact OE1-CZ 3.23Å; E344-R356 IonicContact OE1-NE 2.78Å; E344-R356 IonicContact OE1-NH1 3.7Å; E344-R356 PolarHBondContact OE1-NH1 2.76Å; E344-R356 IonicContact OE2-CZ 2.9Å; E344-R356 IonicContact OE2-NH1 3.89Å; E344-R356 PolarHBondContact OE2-NH1 3.28Å
357	S	68.3	Low	67.7	Low	18 Å²	18	74.4 Å²	74.4	13%	0.126	41%	0.412	C	S	.	.			trans	-95.6	137.9	171.3	41.8	0	0	0	0	110.7	V307 E344 I345 A355	V307-S357 WeakPolarHBondContact O-CA 3.45Å; V307-S357 WeakPolarHBondContact O-CB 3.44Å; E344-S357 WeakPolarHBondContact CA-O 3.34Å; I345-S357 PolarHBondContact N-O 3.42Å; A355-S357 PolarHBondContact O-N 3.17Å; A355-S357 VanDerWaalsContact O-N 3.11Å
358	G	75.1	Confident	70.6	Confident	26 Å²	26	71.4 Å²	71.4	27%	0.268	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	157.1	-179.2	0	0	0	0	0	110.6	G306 V307	G306-G358 CarbonylContact C-O 3.42Å; G306-G358 WeakPolarHBondContact CA-O 3.33Å; V307-G358 PolarHBondContact N-O 2.77Å; V307-G358 PolarHBondContact O-N 3.16Å
359	Q	85.5	Confident	73.4	Confident	39 Å²	39	63.9 Å²	63.9	18%	0.182	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.8	-167.6	170.3	168.3	-33.4	0	0	110.6	F313 E342	F313-Q359 HydrophobicContact CZ-CB 4.31Å; F313-Q359 HydrophobicContact CZ-CG 4.14Å; F313-Q359 VanDerWaalsContact CZ-OE1 3.3Å; E342-Q359 HydrophobicContact CB-CB 4.21Å; E342-Q359 PolarHBondContact N-O 2.74Å; E342-Q359 PolarHBondContact O-N 3.26Å; E342-Q359 PolarHBondContact OE2-NE2 3.17Å
360	E	90.1	Very high	76	Confident	40 Å²	40	55.9 Å²	55.9	19%	0.187	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.6	172.3	-63.4	-178.1	154.4	0	0	109.6	V305 M340 W362 R413	V305-E360 PolarHBondContact N-O 3.01Å; V305-E360 PolarHBondContact O-N 2.94Å; M340-E360 WeakPolarHBondContact O-CA 3.35Å; E360-W362 WeakPolarHBondContact OE2-CZ2 3.49Å; E360-W362 PolarHBondContact OE2-NE1 3.48Å; E360-R413 IonicContact OE1-NE 3.25Å; E360-R413 PolarHBondContact OE1-NE 3.48Å; E360-R413 IonicContact OE2-CZ 2.73Å; E360-R413 IonicContact OE2-NE 3.21Å; E360-R413 PolarHBondContact OE2-NE 3.42Å; E360-R413 IonicContact OE2-NH2 2.8Å; E360-R413 PolarHBondContact OE2-NH2 2.88Å
361	H	92.9	Very high	78.9	Confident	24 Å²	24	52.4 Å²	52.4	11%	0.111	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	147.7	169.1	-59.1	170.2	0	0	0	109.8	F302 L303 Y322 A339 M340 E342	F302-H361 HydrophobicContact CD2-CB 3.89Å; F302-H361 AromaticContact CD2-CG 3.86Å; F302-H361 HydrophobicContact CE2-CB 4.33Å; F302-H361 AromaticContact CE2-CG 3.78Å; F302-H361 AromaticContact CE2-ND1 3.77Å; L303-H361 CarbonylContact O-C 3.49Å; L303-H361 WeakPolarHBondContact O-CA 3.43Å; Y322-H361 AromaticContact CZ-CE1 3.47Å; Y322-H361 VanDerWaalsContact CZ-CE1 3.47Å; Y322-H361 PolarHBondContact OH-CE1 3.47Å; Y322-H361 PolarHBondContact OH-ND1 2.85Å; A339-H361 PolarHBondContact O-CE1 3.45Å; M340-H361 HydrophobicContact CB-CB 4.2Å; M340-H361 HydrophobicContact CE-CB 4.26Å; M340-H361 WeakPolarHBondContact CE-O 3.41Å; M340-H361 HydrophobicContact CG-CB 4.33Å; M340-H361 PolarHBondContact O-N 3.02Å; E342-H361 IonicContact OE1-NE2 3.22Å; E342-H361 PolarHBondContact OE1-NE2 3.3Å
362	W	94.9	Very high	81.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	124.1	176.1	-64.4	93.4	0	0	0	110.4	F302 L303 E360 T364 D406 R409 T412 R413	F302-W362 CarbonylContact C-O 3.49Å; F302-W362 WeakPolarHBondContact CA-O 3.39Å; L303-W362 WeakPolarHBondContact CB-O 3.08Å; L303-W362 PolarHBondContact N-O 2.97Å; L303-W362 PolarHBondContact O-N 3.06Å; E360-W362 WeakPolarHBondContact OE2-CZ2 3.49Å; E360-W362 PolarHBondContact OE2-NE1 3.48Å; W362-T364 PolarHBondContact O-N 2.7Å; W362-D406 HydrophobicContact CB-CB 4.05Å; W362-R409 HydrophobicContact CD2-CB 4.09Å; W362-R409 HydrophobicContact CD2-CG 3.81Å; W362-R409 HydrophobicContact CE3-CB 3.98Å; W362-R409 HydrophobicContact CE3-CG 4.16Å; W362-R409 HydrophobicContact CG-CG 4.36Å; W362-R409 HydrophobicContact CH2-CB 4.43Å; W362-R409 HydrophobicContact CH2-CG 4.18Å; W362-R409 HydrophobicContact CZ2-CG 3.82Å; W362-R409 HydrophobicContact CZ3-CB 4.17Å; W362-R409 HydrophobicContact CZ3-CG 4.34Å; W362-T412 HydrophobicContact CH2-CG2 3.7Å; W362-T412 HydrophobicContact CZ3-CG2 3.88Å; W362-R413 HydrophobicContact CH2-CG 4.36Å; W362-R413 HydrophobicContact CZ2-CG 4.11Å
363	F	96.9	Very high	83.8	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132.6	179.6	-66.5	-66.8	0	0	0	111	F302 F319 Y322 M340 L366 M401 Y404 M405 D406	F302-F363 HydrophobicContact CB-CD1 3.89Å; F302-F363 HydrophobicContact CB-CE1 4.31Å; F319-F363 HydrophobicContact CD1-CD1 4.42Å; F319-F363 HydrophobicContact CD1-CE1 4.24Å; F319-F363 AromaticContact CE1-CD1 3.57Å; F319-F363 HydrophobicContact CE1-CD1 3.57Å; F319-F363 AromaticContact CE1-CE1 3.62Å; F319-F363 HydrophobicContact CE1-CE1 3.62Å; F319-F363 AromaticContact CE2-CE1 3.97Å; F319-F363 HydrophobicContact CE2-CE1 3.97Å; F319-F363 AromaticContact CZ-CD1 3.7Å; F319-F363 HydrophobicContact CZ-CD1 3.7Å; F319-F363 AromaticContact CZ-CE1 3.47Å; F319-F363 HydrophobicContact CZ-CE1 3.47Å; F319-F363 VanDerWaalsContact CZ-CE1 3.47Å; F319-F363 HydrophobicContact CZ-CZ 4.49Å; Y322-F363 AromaticContact CD2-CE1 3.68Å; Y322-F363 HydrophobicContact CD2-CE1 3.68Å; Y322-F363 AromaticContact CD2-CZ 3.65Å; Y322-F363 HydrophobicContact CD2-CZ 3.65Å; Y322-F363 AromaticContact CE2-CE1 3.68Å; Y322-F363 HydrophobicContact CE2-CE1 3.68Å; Y322-F363 AromaticContact CE2-CZ 3.59Å; Y322-F363 HydrophobicContact CE2-CZ 3.59Å; Y322-F363 HydrophobicContact CG-CZ 4.34Å; M340-F363 HydrophobicContact CE-CD2 3.49Å; M340-F363 VanDerWaalsContact CE-CD2 3.49Å; M340-F363 HydrophobicContact CE-CE2 3.42Å; M340-F363 VanDerWaalsContact CE-CE2 3.42Å; M340-F363 HydrophobicContact CE-CG 4.19Å; M340-F363 HydrophobicContact CE-CZ 4.07Å; M340-F363 HydrophobicContact SD-CD2 4.14Å; M340-F363 HydrophobicContact SD-CE2 3.55Å; M340-F363 VanDerWaalsContact SD-CE2 3.55Å; M340-F363 HydrophobicContact SD-CZ 4.24Å; F363-L366 HydrophobicContact CB-CD2 3.77Å; F363-L366 HydrophobicContact CB-CG 4.22Å; F363-L366 HydrophobicContact CD1-CD2 3.64Å; F363-L366 HydrophobicContact CD2-CD2 3.97Å; F363-L366 HydrophobicContact CE1-CD2 4.21Å; F363-L366 HydrophobicContact CE2-CD2 4.5Å; F363-L366 HydrophobicContact CG-CD2 3.52Å; F363-L366 HydrophobicContact CG-CG 4.46Å; F363-M401 HydrophobicContact CD2-CE 3.8Å; F363-M401 HydrophobicContact CE2-CE 3.57Å; F363-M401 HydrophobicContact CZ-CE 4.41Å; F363-Y404 PolarHBondContact N-O 3.39Å; F363-M405 HydrophobicContact CB-CE 4.5Å; F363-M405 HydrophobicContact CB-SD 4.19Å; F363-M405 CarbonylContact O-C 3.55Å; F363-M405 WeakPolarHBondContact O-CA 3.28Å; F363-M405 WeakPolarHBondContact O-CE 3.43Å; F363-D406 PolarHBondContact O-N 3.37Å
364	T	95.3	Very high	86	Confident	50 Å²	50	33.1 Å²	33.1	31%	0.307	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-44.1	174.8	49.3	0	0	0	0	110.4	R301 L303 W362 M405 D406	R301-T364 PolarHBondContact O-N 3.41Å; R301-T364 PolarHBondContact O-OG1 2.91Å; R301-T364 VanDerWaalsContact O-OG1 3.09Å; L303-T364 HydrophobicContact CB-CG2 3.84Å; W362-T364 PolarHBondContact O-N 2.7Å; T364-M405 WeakPolarHBondContact O-CE 3.4Å; T364-D406 HydrophobicContact CG2-CB 4.18Å
365	E	95.3	Very high	88.1	Confident	97 Å²	97	31 Å²	31	45%	0.453	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.4	178.4	-64.4	173.2	158.2	0	0	108.9	G300 R301	G300-E365 CarbonylContact C-O 2.91Å; G300-E365 VanDerWaalsContact CA-O 3.29Å; G300-E365 WeakPolarHBondContact CA-O 3.43Å; R301-E365 HydrophobicContact CB-CB 4.23Å; R301-E365 WeakPolarHBondContact CD-OE2 3.27Å; R301-E365 WeakPolarHBondContact CG-OE2 3.31Å; R301-E365 IonicContact CZ-OE2 3.45Å; R301-E365 PolarHBondContact N-O 3.32Å; R301-E365 IonicContact NE-OE2 2.73Å; R301-E365 IonicContact NH1-OE1 2.94Å; R301-E365 IonicContact NH1-OE2 3.26Å; R301-E365 PolarHBondContact NH1-OE2 2.84Å; R301-E365 PolarHBondContact O-N 2.94Å; R301-E365 VanDerWaalsContact O-N 3.11Å; R301-E365 VanDerWaalsContact O-O 3.09Å
366	L	96.4	Very high	89.7	Confident	27 Å²	27	28.7 Å²	28.7	14%	0.141	14%	0.143	C	C	.	.			trans	-105.5	139.2	176.4	-69.9	176.7	0	0	0	110.6	F319 F363 L370 M401 M405 V595 Y597	F319-L366 HydrophobicContact CZ-CD2 3.97Å; F363-L366 HydrophobicContact CB-CD2 3.77Å; F363-L366 HydrophobicContact CB-CG 4.22Å; F363-L366 HydrophobicContact CD1-CD2 3.64Å; F363-L366 HydrophobicContact CD2-CD2 3.97Å; F363-L366 HydrophobicContact CE1-CD2 4.21Å; F363-L366 HydrophobicContact CE2-CD2 4.5Å; F363-L366 HydrophobicContact CG-CD2 3.52Å; F363-L366 HydrophobicContact CG-CG 4.46Å; L366-L370 HydrophobicContact CD2-CD2 4.49Å; L366-M401 HydrophobicContact CD1-CB 3.61Å; L366-M401 HydrophobicContact CD1-CE 4.24Å; L366-M401 HydrophobicContact CD1-CG 3.91Å; L366-M401 HydrophobicContact CD2-CE 4.22Å; L366-M405 HydrophobicContact CD1-SD 3.53Å; L366-M405 VanDerWaalsContact CD1-SD 3.53Å; L366-M405 HydrophobicContact CG-SD 3.86Å; L366-V595 HydrophobicContact CD1-CG1 4.26Å; L366-Y597 HydrophobicContact CB-CE2 4.49Å; L366-Y597 WeakPolarHBondContact CB-OH 3.29Å; L366-Y597 HydrophobicContact CD1-CE2 3.88Å
367	P	95.6	Very high	90.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	12%	0.119	C	C	.	.			trans	-66.3	154.2	176.6	29.6	-35.8	0	0	0	111.5	F298 V369 L370 Y597	F298-P367 WeakPolarHBondContact O-CB 3.46Å; P367-V369 VanDerWaalsContact CB-O 3.3Å; P367-V369 WeakPolarHBondContact CB-O 3.45Å; P367-V369 WeakPolarHBondContact CG-O 3.34Å; P367-V369 PolarHBondContact O-N 3.41Å; P367-L370 HydrophobicContact CG-CB 4.21Å; P367-L370 HydrophobicContact CG-CD1 4.09Å; P367-Y597 WeakPolarHBondContact O-CE1 3.18Å; P367-Y597 PolarHBondContact O-OH 3.05Å
368	P	95.6	Very high	91.5	Very high	8 Å²	8	23.8 Å²	23.8	5%	0.052	13%	0.126	C	C	.	.	S	Bend	trans	-54.8	-38.5	167.6	-16.8	23	0	0	0	113.1	E296 L297 I661 N662 K665 L668	E296-P368 WeakPolarHBondContact O-CD 3.49Å; E296-P368 WeakPolarHBondContact O-CG 3.25Å; L297-P368 HydrophobicContact CD1-CB 4.14Å; L297-P368 HydrophobicContact CD1-CG 4.32Å; L297-P368 VanDerWaalsContact O-CD 3.28Å; L297-P368 WeakPolarHBondContact O-CD 3.13Å; P368-I661 WeakPolarHBondContact O-CA 3.36Å; P368-N662 PolarHBondContact O-N 2.96Å; P368-K665 HydrophobicContact CB-CD 3.85Å; P368-K665 HydrophobicContact CG-CD 4.17Å; P368-L668 HydrophobicContact CB-CD1 3.97Å; P368-L668 HydrophobicContact CB-CD2 3.99Å
369	V	95.9	Very high	91.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.9	174.5	-171.2	0	0	0	0	108.4	L189 L297 F298 P367 T371 M659 Y660 I661 L668	L189-V369 HydrophobicContact CD1-CG1 3.97Å; L189-V369 HydrophobicContact CD1-CG2 4.11Å; L189-V369 HydrophobicContact CD2-CG2 4.23Å; L297-V369 HydrophobicContact CD1-CG2 3.73Å; L297-V369 HydrophobicContact CG-CG2 4Å; L297-V369 PolarHBondContact O-N 2.91Å; F298-V369 HydrophobicContact CD1-CB 3.88Å; F298-V369 HydrophobicContact CD1-CG1 4Å; F298-V369 HydrophobicContact CE1-CB 3.95Å; F298-V369 HydrophobicContact CE1-CG1 3.8Å; F298-V369 HydrophobicContact CE1-CG2 4.32Å; P367-V369 VanDerWaalsContact CB-O 3.3Å; P367-V369 WeakPolarHBondContact CB-O 3.45Å; P367-V369 WeakPolarHBondContact CG-O 3.34Å; P367-V369 PolarHBondContact O-N 3.41Å; V369-T371 HydrophobicContact CG1-CG2 4.41Å; V369-M659 HydrophobicContact CG1-CE 4.16Å; V369-Y660 CarbonylContact C-O 3.52Å; V369-Y660 WeakPolarHBondContact CA-O 3.48Å; V369-I661 HydrophobicContact CG1-CG2 4.49Å; V369-I661 HydrophobicContact CG2-CG2 4.33Å; V369-L668 HydrophobicContact CG2-CD2 4.39Å
370	L	96.3	Very high	91.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.9	-176.7	177.1	59.5	0	0	0	109.4	F319 L366 P367 F372 M401 Y597 Y660	F319-L370 HydrophobicContact CE2-CD1 3.71Å; F319-L370 HydrophobicContact CZ-CD1 4.15Å; L366-L370 HydrophobicContact CD2-CD2 4.49Å; P367-L370 HydrophobicContact CG-CB 4.21Å; P367-L370 HydrophobicContact CG-CD1 4.09Å; L370-F372 HydrophobicContact CD1-CE1 4.34Å; L370-F372 HydrophobicContact CD1-CZ 4.26Å; L370-F372 HydrophobicContact CD2-CE1 4.42Å; L370-F372 HydrophobicContact CD2-CE2 4.01Å; L370-F372 HydrophobicContact CD2-CZ 3.59Å; L370-F372 HydrophobicContact CG-CE1 4.31Å; L370-F372 HydrophobicContact CG-CE2 4Å; L370-F372 HydrophobicContact CG-CZ 3.77Å; L370-M401 HydrophobicContact CD2-CE 3.86Å; L370-M401 HydrophobicContact CD2-CG 4.15Å; L370-M401 HydrophobicContact CD2-SD 3.99Å; L370-Y597 HydrophobicContact CB-CD1 3.99Å; L370-Y597 HydrophobicContact CB-CE1 3.79Å; L370-Y597 HydrophobicContact CD2-CD1 4.32Å; L370-Y597 HydrophobicContact CD2-CE1 4.35Å; L370-Y660 PolarHBondContact N-O 2.97Å; L370-Y660 PolarHBondContact O-N 3.45Å
371	T	95	Very high	91	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.043	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.1	-178.2	56.2	0	0	0	0	111.4	Q321 Y322 V369 L658 M659	Q321-T371 VanDerWaalsContact CA-OG1 3.28Å; Q321-T371 WeakPolarHBondContact CA-OG1 3.36Å; Q321-T371 WeakPolarHBondContact CB-OG1 3.34Å; Y322-T371 PolarHBondContact N-O 3.06Å; V369-T371 HydrophobicContact CG1-CG2 4.41Å; T371-L658 WeakPolarHBondContact CA-O 3.48Å; T371-M659 HydrophobicContact CG2-CB 4.37Å; T371-M659 HydrophobicContact CG2-CE 3.92Å; T371-M659 HydrophobicContact CG2-CG 3.94Å
372	F	95.6	Very high	90.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.1	175.6	-61.7	-67.7	0	0	0	110.4	Y322 L324 L332 L336 L370 L399 M401 C657 L658 Y660	Y322-F372 WeakPolarHBondContact O-CA 3.49Å; L324-F372 HydrophobicContact CD1-CB 4.07Å; L324-F372 HydrophobicContact CD1-CD1 3.86Å; L324-F372 HydrophobicContact CD1-CG 4.1Å; L324-F372 HydrophobicContact CG-CD1 4.38Å; L332-F372 HydrophobicContact CD2-CD2 4.48Å; L336-F372 HydrophobicContact CD1-CE1 4.24Å; L336-F372 HydrophobicContact CD1-CZ 4Å; L336-F372 HydrophobicContact CD2-CD1 4.24Å; L336-F372 HydrophobicContact CD2-CE1 3.61Å; L336-F372 HydrophobicContact CD2-CZ 4.18Å; L336-F372 HydrophobicContact CG-CE1 4.44Å; L370-F372 HydrophobicContact CD1-CE1 4.34Å; L370-F372 HydrophobicContact CD1-CZ 4.26Å; L370-F372 HydrophobicContact CD2-CE1 4.42Å; L370-F372 HydrophobicContact CD2-CE2 4.01Å; L370-F372 HydrophobicContact CD2-CZ 3.59Å; L370-F372 HydrophobicContact CG-CE1 4.31Å; L370-F372 HydrophobicContact CG-CE2 4Å; L370-F372 HydrophobicContact CG-CZ 3.77Å; F372-L399 HydrophobicContact CE2-CD2 3.58Å; F372-L399 HydrophobicContact CZ-CD2 3.96Å; F372-M401 HydrophobicContact CZ-CE 4.38Å; F372-M401 HydrophobicContact CZ-SD 4.34Å; F372-C657 VanDerWaalsContact O-CA 3.3Å; F372-C657 WeakPolarHBondContact O-CA 3.2Å; F372-L658 HydrophobicContact CB-CB 4.4Å; F372-L658 PolarHBondContact N-O 3.29Å; F372-L658 PolarHBondContact O-N 3.26Å; F372-Y660 AromaticContact CD2-CD2 3.76Å; F372-Y660 HydrophobicContact CD2-CD2 3.76Å; F372-Y660 AromaticContact CD2-CE2 3.87Å; F372-Y660 HydrophobicContact CD2-CE2 3.87Å; F372-Y660 AromaticContact CE2-CD2 3.76Å; F372-Y660 HydrophobicContact CE2-CD2 3.76Å; F372-Y660 AromaticContact CE2-CE2 3.99Å; F372-Y660 HydrophobicContact CE2-CE2 3.99Å
373	E	92.4	Very high	89.6	Confident	36 Å²	36	41.9 Å²	41.9	17%	0.168	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.8	167.3	-156.2	179.1	118.2	0	0	109.9	S263 Q321 Y322 P323 L324 Y656	S263-E373 WeakPolarHBondContact CB-OE2 3.24Å; S263-E373 PolarHBondContact OG-OE2 3.2Å; Q321-E373 HydrophobicContact CG-CB 4.19Å; Q321-E373 PolarHBondContact NE2-OE2 3.23Å; Y322-E373 PolarHBondContact O-N 3.02Å; Y322-E373 VanDerWaalsContact O-N 3.07Å; P323-E373 HydrophobicContact CB-CB 4.31Å; L324-E373 WeakPolarHBondContact CB-O 3.3Å; L324-E373 PolarHBondContact N-O 2.95Å; E373-Y656 HydrophobicContact CG-CE1 4.16Å
374	L	92.3	Very high	88.7	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	83.8	179.3	-61.9	-175.2	0	0	0	109.2	L324 V326 L332 R376 L393 A655 Y656 L658	L324-L374 HydrophobicContact CB-CD2 4.46Å; L324-L374 HydrophobicContact CD1-CD2 4.31Å; V326-L374 HydrophobicContact CG2-CB 3.8Å; V326-L374 HydrophobicContact CG2-CD2 4.31Å; L332-L374 HydrophobicContact CD1-CD2 4.37Å; L374-R376 PolarHBondContact O-N 2.94Å; L374-L393 HydrophobicContact CD1-CD2 4.2Å; L374-L393 HydrophobicContact CD2-CD2 3.91Å; L374-A655 HydrophobicContact CD1-CB 3.9Å; L374-Y656 PolarHBondContact N-O 3.46Å; L374-L658 HydrophobicContact CD1-CD1 4.06Å; L374-L658 HydrophobicContact CD1-CD2 4.12Å; L374-L658 HydrophobicContact CD1-CG 3.85Å; L374-L658 HydrophobicContact CD2-CD1 4.39Å; L374-L658 HydrophobicContact CG-CG 4.29Å
375	S	88.6	Confident	87.7	Confident	32 Å²	32	44 Å²	44	22%	0.224	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	107.9	176	-179.6	0	0	0	0	110	L324 Q325 V326	L324-S375 PolarHBondContact O-N 3.42Å; Q325-S375 PolarHBondContact OE1-OG 3.39Å; V326-S375 WeakPolarHBondContact CB-O 3.38Å; V326-S375 WeakPolarHBondContact CG2-O 3.43Å; V326-S375 PolarHBondContact N-O 3.25Å
376	R	87.4	Confident	86.7	Confident	5 Å²	5	43.2 Å²	43.2	2%	0.019	24%	0.241	C	C	.	.			trans	-106.5	9.4	176.7	-71	175.9	175.5	-88.6	6.4	112.4	V326 L374 K388 I389 N391 F647 S654 A655	V326-R376 HydrophobicContact CB-CG 3.92Å; V326-R376 HydrophobicContact CG1-CG 4.07Å; V326-R376 HydrophobicContact CG2-CG 3.82Å; L374-R376 PolarHBondContact O-N 2.94Å; R376-K388 HydrophobicContact CB-CG 4.46Å; R376-K388 CarbonylContact O-C 3.58Å; R376-K388 WeakPolarHBondContact O-CA 3.3Å; R376-I389 HydrophobicContact CB-CG1 4.04Å; R376-I389 HydrophobicContact CG-CG1 4.46Å; R376-I389 PolarHBondContact NH1-O 3.49Å; R376-I389 WeakPolarHBondContact O-CG1 3.47Å; R376-I389 PolarHBondContact O-N 3.19Å; R376-N391 PolarHBondContact NH1-O 3.18Å; R376-F647 PolarHBondContact NH2-O 3.49Å; R376-S654 VanDerWaalsContact CD-OG 3.32Å; R376-S654 WeakPolarHBondContact CD-OG 3.27Å; R376-A655 PolarHBondContact NE-O 3.49Å; R376-A655 VanDerWaalsContact NE-O 3.09Å
377	F	81.6	Confident	86	Confident	47 Å²	47	45.8 Å²	45.8	21%	0.206	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.9	-179.8	-65.6	-69.5	0	0	0	110.9	E387 K388 A609	F377-E387 WeakPolarHBondContact CA-O 3.36Å; F377-K388 HydrophobicContact CD1-CB 4.15Å; F377-K388 HydrophobicContact CE1-CB 3.71Å; F377-K388 HydrophobicContact CE1-CG 4.04Å; F377-K388 HydrophobicContact CZ-CG 4.41Å; F377-A609 HydrophobicContact CD1-CB 4.07Å; F377-A609 HydrophobicContact CE1-CB 3.57Å; F377-A609 HydrophobicContact CE2-CB 4.35Å; F377-A609 VanDerWaalsContact CZ-CA 3.5Å; F377-A609 HydrophobicContact CZ-CB 3.74Å
378	E	82	Confident	85.5	Confident	60 Å²	60	46.6 Å²	46.6	28%	0.28	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.1	175.8	-68.6	-153.6	158.4	0	0	111.8	Q325 N327 N380 P386 E387	Q325-E378 PolarHBondContact NE2-OE1 2.85Å; N327-E378 VanDerWaalsContact CB-CD 3.46Å; N327-E378 HydrophobicContact CB-CG 4.45Å; N327-E378 WeakPolarHBondContact CB-OE1 3.43Å; N327-E378 PolarHBondContact ND2-OE2 3.43Å; E378-N380 PolarHBondContact O-N 3.3Å; E378-N380 VanDerWaalsContact O-N 3.09Å; E378-P386 CarbonylContact O-C 3.53Å; E378-P386 WeakPolarHBondContact O-CA 3.42Å; E378-E387 PolarHBondContact N-O 2.81Å; E378-E387 PolarHBondContact O-N 3.24Å
379	F	79.2	Confident	84.9	Confident	133 Å²	133	47.6 Å²	47.6	58%	0.583	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	102	179.3	-170.5	-93.1	0	0	0	110.9	Q381 G384	F379-Q381 PolarHBondContact O-N 2.96Å; F379-G384 VanDerWaalsContact CE2-C 3.47Å; F379-G384 WeakPolarHBondContact CE2-O 3.35Å; F379-G384 WeakPolarHBondContact CZ-O 3.23Å
380	N	80	Confident	84.3	Confident	50 Å²	50	51.3 Å²	51.3	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	101.6	174.6	-177.5	-23.9	0	0	0	109.2	E378 A382 L383 G384 R385 E387	E378-N380 PolarHBondContact O-N 3.3Å; E378-N380 VanDerWaalsContact O-N 3.09Å; N380-A382 PolarHBondContact O-N 3.38Å; N380-A382 VanDerWaalsContact O-N 3.14Å; N380-A382 WeakPolarHBondContact OD1-CB 3.33Å; N380-A382 PolarHBondContact OD1-N 3.46Å; N380-L383 HydrophobicContact CB-CB 4.21Å; N380-L383 HydrophobicContact CB-CG 4.47Å; N380-L383 WeakPolarHBondContact ND2-CD1 3.39Å; N380-L383 PolarHBondContact O-N 3.45Å; N380-L383 PolarHBondContact OD1-N 3.16Å; N380-G384 PolarHBondContact O-N 2.94Å; N380-R385 PolarHBondContact N-O 3.36Å; N380-E387 HydrophobicContact CB-CB 4.19Å; N380-E387 PolarHBondContact ND2-OE2 3.31Å
381	Q	82	Confident	83.8	Confident	181 Å²	181	54.7 Å²	54.7	85%	0.846	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.9	-177.6	-166.4	173.8	38.1	0	0	114	F379	F379-Q381 PolarHBondContact O-N 2.96Å
382	A	81.4	Confident	83.6	Confident	95 Å²	95	58.2 Å²	58.2	79%	0.785	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-23.8	175	0	0	0	0	0	113.3	N380	N380-A382 PolarHBondContact O-N 3.38Å; N380-A382 VanDerWaalsContact O-N 3.14Å; N380-A382 WeakPolarHBondContact OD1-CB 3.33Å; N380-A382 PolarHBondContact OD1-N 3.46Å
383	L	75.9	Confident	83.6	Confident	51 Å²	51	58.2 Å²	58.2	27%	0.267	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-18	175.8	-63.2	-178.2	0	0	0	113.6	N380 R385	N380-L383 HydrophobicContact CB-CB 4.21Å; N380-L383 HydrophobicContact CB-CG 4.47Å; N380-L383 WeakPolarHBondContact ND2-CD1 3.39Å; N380-L383 PolarHBondContact O-N 3.45Å; N380-L383 PolarHBondContact OD1-N 3.16Å; L383-R385 HydrophobicContact CB-CG 4.1Å
384	G	78.4	Confident	83.8	Confident	45 Å²	45	60.8 Å²	60.8	46%	0.464	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	11.2	178.6	0	0	0	0	0	115.3	F379 N380	F379-G384 VanDerWaalsContact CE2-C 3.47Å; F379-G384 WeakPolarHBondContact CE2-O 3.35Å; F379-G384 WeakPolarHBondContact CZ-O 3.23Å; N380-G384 PolarHBondContact O-N 2.94Å
385	R	75.6	Confident	84	Confident	48 Å²	48	61 Å²	61	18%	0.181	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159	-166.6	73.6	-167.8	-163.5	161.8	5.5	113.5	N380 L383 E838	N380-R385 PolarHBondContact N-O 3.36Å; L383-R385 HydrophobicContact CB-CG 4.1Å; R385-E838 WeakPolarHBondContact CD-OE2 3.49Å; R385-E838 PolarHBondContact NH1-O 3.45Å; R385-E838 IonicContact NH1-OE2 3.31Å; R385-E838 PolarHBondContact NH1-OE2 2.99Å
386	P	73.3	Confident	84.4	Confident	82 Å²	82	61.4 Å²	61.4	53%	0.532	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	132.8	167.7	28.2	-34.1	0	0	0	111.5	E378	E378-P386 CarbonylContact O-C 3.53Å; E378-P386 WeakPolarHBondContact O-CA 3.42Å
387	E	81.3	Confident	84.7	Confident	81 Å²	81	63.8 Å²	63.8	38%	0.379	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149	179.5	-177.6	169.3	-147	0	0	110.7	F377 E378 N380	F377-E387 WeakPolarHBondContact CA-O 3.36Å; E378-E387 PolarHBondContact N-O 2.81Å; E378-E387 PolarHBondContact O-N 3.24Å; N380-E387 HydrophobicContact CB-CB 4.19Å; N380-E387 PolarHBondContact ND2-OE2 3.31Å
388	K	84.9	Confident	85.4	Confident	18 Å²	18	64 Å²	64	8%	0.078	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	116.1	178.6	-167.9	-178.4	-176	-177.6	0	110.2	R376 F377 H390 H605 G607 N652 S654	R376-K388 HydrophobicContact CB-CG 4.46Å; R376-K388 CarbonylContact O-C 3.58Å; R376-K388 WeakPolarHBondContact O-CA 3.3Å; F377-K388 HydrophobicContact CD1-CB 4.15Å; F377-K388 HydrophobicContact CE1-CB 3.71Å; F377-K388 HydrophobicContact CE1-CG 4.04Å; F377-K388 HydrophobicContact CZ-CG 4.41Å; K388-H390 PolarHBondContact O-CD2 2.97Å; K388-H390 PolarHBondContact O-N 3.38Å; K388-H605 PolarHBondContact NZ-O 2.85Å; K388-G607 WeakPolarHBondContact CD-O 3.34Å; K388-G607 PolarHBondContact NZ-O 3.26Å; K388-N652 PolarHBondContact NZ-O 3.22Å; K388-S654 WeakPolarHBondContact CE-OG 3.45Å
389	I	84.5	Confident	86.1	Confident	28 Å²	28	61.1 Å²	61.1	14%	0.144	33%	0.331	C	S	.	.			trans	-77.1	115.3	173.3	55	142.3	0	0	0	111.4	V326 N327 R376 N391	V326-I389 HydrophobicContact CB-CD1 3.98Å; V326-I389 HydrophobicContact CG1-CD1 3.99Å; N327-I389 HydrophobicContact CB-CD1 3.69Å; R376-I389 HydrophobicContact CB-CG1 4.04Å; R376-I389 HydrophobicContact CG-CG1 4.46Å; R376-I389 PolarHBondContact NH1-O 3.49Å; R376-I389 WeakPolarHBondContact O-CG1 3.47Å; R376-I389 PolarHBondContact O-N 3.19Å; I389-N391 HydrophobicContact CD1-CB 4.36Å; I389-N391 PolarHBondContact O-N 3.35Å
390	H	81.6	Confident	87	Confident	78 Å²	78	58.1 Å²	58.1	36%	0.361	32%	0.317	S	S	.	.			trans	-81.9	16	178.1	-68.4	-92.7	0	0	0	113.6	K388 G649	K388-H390 PolarHBondContact O-CD2 2.97Å; K388-H390 PolarHBondContact O-N 3.38Å; H390-G649 VanDerWaalsContact O-CA 3.27Å; H390-G649 WeakPolarHBondContact O-CA 3.3Å; H390-G649 PolarHBondContact O-N 3.29Å
391	N	86.2	Confident	87.7	Confident	72 Å²	72	55.7 Å²	55.7	39%	0.385	30%	0.304	S	S	.	.			trans	-58.2	138.1	177.9	-69	-17.8	0	0	0	111.4	N327 R376 I389 L393	N327-N391 PolarHBondContact OD1-ND2 3Å; R376-N391 PolarHBondContact NH1-O 3.18Å; I389-N391 HydrophobicContact CD1-CB 4.36Å; I389-N391 PolarHBondContact O-N 3.35Å; N391-L393 PolarHBondContact O-N 3.26Å
392	K	92.4	Very high	88.4	Confident	81 Å²	81	47.2 Å²	47.2	35%	0.352	26%	0.264	S	S	.	.			trans	-71	117.4	175.7	-170.7	-167	-175.5	-165.6	0	109.7	E394 F647	K392-E394 HydrophobicContact CD-CG 4.45Å; K392-E394 WeakPolarHBondContact CE-OE1 3.39Å; K392-E394 IonicContact NZ-OE1 3.05Å; K392-E394 PolarHBondContact NZ-OE1 2.79Å; K392-F647 WeakPolarHBondContact CA-O 3.38Å; K392-F647 HydrophobicContact CG-CB 4.05Å
393	L	94.9	Very high	89	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.			trans	-114.3	121.6	171.1	-178.4	73.2	0	0	0	109.3	V326 F329 C335 L374 N391 F647	V326-L393 HydrophobicContact CG1-CB 3.92Å; V326-L393 HydrophobicContact CG1-CD2 3.97Å; V326-L393 HydrophobicContact CG1-CG 4.37Å; V326-L393 HydrophobicContact CG2-CD2 4.01Å; F329-L393 HydrophobicContact CB-CD1 4.45Å; C335-L393 VanDerWaalsContact SG-CD1 3.55Å; L374-L393 HydrophobicContact CD1-CD2 4.2Å; L374-L393 HydrophobicContact CD2-CD2 3.91Å; N391-L393 PolarHBondContact O-N 3.26Å; L393-F647 PolarHBondContact N-O 3.27Å; L393-F647 WeakPolarHBondContact O-CA 3.48Å; L393-F647 WeakPolarHBondContact O-CB 3.36Å; L393-F647 WeakPolarHBondContact O-CD1 3.2Å; L393-F647 VanDerWaalsContact O-CG 3.29Å; L393-F647 WeakPolarHBondContact O-CG 3.46Å
394	E	95.7	Very high	90	Very high	89 Å²	89	41.9 Å²	41.9	42%	0.416	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-92.6	132.5	179	-51.7	-165	177.8	0	0	111.4	K330 D331 L332 K392 F647	K330-E394 PolarHBondContact O-N 2.87Å; D331-E394 CarbonylContact C-O 3.4Å; D331-E394 WeakPolarHBondContact CA-O 3.26Å; D331-E394 HydrophobicContact CB-CB 4.45Å; L332-E394 PolarHBondContact N-O 2.72Å; K392-E394 HydrophobicContact CD-CG 4.45Å; K392-E394 WeakPolarHBondContact CE-OE1 3.39Å; K392-E394 IonicContact NZ-OE1 3.05Å; K392-E394 PolarHBondContact NZ-OE1 2.79Å; E394-F647 HydrophobicContact CB-CD2 4.11Å; E394-F647 HydrophobicContact CB-CE2 3.65Å; E394-F647 HydrophobicContact CB-CZ 4.08Å; E394-F647 HydrophobicContact CG-CD2 3.77Å; E394-F647 HydrophobicContact CG-CE2 3.67Å
395	F	97.1	Very high	90.8	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.022	20%	0.2	C	C	.	.			trans	-130.2	139.8	176.1	54.4	-99.8	0	0	0	111.5	L332 L599 V602 W639 L642 F647 A655 L658	L332-F395 HydrophobicContact CB-CB 3.95Å; L332-F395 HydrophobicContact CD2-CB 3.97Å; F395-L599 HydrophobicContact CD2-CD2 3.98Å; F395-L599 HydrophobicContact CE2-CD2 3.75Å; F395-V602 HydrophobicContact CE2-CG2 3.87Å; F395-V602 HydrophobicContact CZ-CG1 4.04Å; F395-V602 HydrophobicContact CZ-CG2 4.07Å; F395-W639 HydrophobicContact CD2-CH2 4.49Å; F395-W639 HydrophobicContact CE2-CH2 4.41Å; F395-L642 HydrophobicContact CE2-CD2 3.97Å; F395-L642 HydrophobicContact CZ-CD2 4.01Å; F395-F647 AromaticContact CD1-CD1 3.82Å; F395-F647 HydrophobicContact CD1-CD1 3.82Å; F395-F647 AromaticContact CD1-CE1 3.7Å; F395-F647 HydrophobicContact CD1-CE1 3.7Å; F395-F647 HydrophobicContact CD2-CE1 4Å; F395-F647 AromaticContact CE1-CD1 3.47Å; F395-F647 HydrophobicContact CE1-CD1 3.47Å; F395-F647 VanDerWaalsContact CE1-CD1 3.47Å; F395-F647 AromaticContact CE1-CE1 3.64Å; F395-F647 HydrophobicContact CE1-CE1 3.64Å; F395-F647 HydrophobicContact CE2-CD1 4.48Å; F395-F647 AromaticContact CE2-CE1 3.92Å; F395-F647 HydrophobicContact CE2-CE1 3.92Å; F395-F647 HydrophobicContact CG-CD1 4.47Å; F395-F647 AromaticContact CG-CE1 3.89Å; F395-F647 HydrophobicContact CG-CE1 3.89Å; F395-F647 AromaticContact CZ-CD1 3.85Å; F395-F647 HydrophobicContact CZ-CD1 3.85Å; F395-F647 AromaticContact CZ-CE1 3.75Å; F395-F647 HydrophobicContact CZ-CE1 3.75Å; F395-A655 HydrophobicContact CE1-CB 3.95Å; F395-A655 HydrophobicContact CZ-CB 4.35Å; F395-L658 HydrophobicContact CB-CD1 3.76Å; F395-L658 HydrophobicContact CD1-CD1 3.93Å; F395-L658 HydrophobicContact CD1-CD2 3.94Å; F395-L658 HydrophobicContact CD2-CD1 4.15Å; F395-L658 HydrophobicContact CD2-CD2 4Å; F395-L658 HydrophobicContact CE1-CD2 3.74Å; F395-L658 HydrophobicContact CE2-CD2 3.83Å; F395-L658 HydrophobicContact CG-CD1 3.69Å; F395-L658 HydrophobicContact CG-CD2 4.06Å; F395-L658 HydrophobicContact CZ-CD2 3.68Å
396	P	96.2	Very high	91.7	Very high	40 Å²	40	40 Å²	40	26%	0.26	20%	0.203	S	C	.	.			trans	-82.4	150.5	-174.3	33.8	-36.1	0	0	0	112.1	M398 L399 Y660	P396-M398 PolarHBondContact O-N 3.26Å; P396-L399 HydrophobicContact CG-CB 4.25Å; P396-L399 HydrophobicContact CG-CD1 3.95Å; P396-Y660 WeakPolarHBondContact O-CE1 3.48Å; P396-Y660 PolarHBondContact O-OH 2.88Å
397	S	94.7	Very high	92.7	Very high	56 Å²	56	43.8 Å²	43.8	39%	0.392	21%	0.207	S	C	.	.	S	Bend	trans	-68.9	-21.7	169.4	56.1	0	0	0	0	113.3	L599	S397-L599 PolarHBondContact O-N 3.41Å
398	M	95.8	Very high	93.3	Very high	50 Å²	50	40.9 Å²	40.9	25%	0.246	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	110.6	172.3	-66.7	-60.9	-55.8	0	0	109.7	P396 Y400 P596 Y597 R598 D663	P396-M398 PolarHBondContact O-N 3.26Å; M398-Y400 HydrophobicContact CB-CE2 4.49Å; M398-P596 HydrophobicContact CE-CB 3.78Å; M398-Y597 CarbonylContact C-O 3.5Å; M398-Y597 WeakPolarHBondContact CA-O 3.28Å; M398-R598 HydrophobicContact CE-CB 4.21Å; M398-R598 HydrophobicContact SD-CB 3.65Å; M398-R598 HydrophobicContact SD-CG 3.83Å; M398-D663 HydrophobicContact CE-CB 4.03Å
399	L	97.1	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131	178	-175.5	65.1	0	0	0	110.1	L332 H333 L336 F372 P396 M401 Y597 Y660	L332-L399 HydrophobicContact CD2-CD1 4.31Å; L332-L399 HydrophobicContact CD2-CD2 4.12Å; H333-L399 VanDerWaalsContact CE1-CD1 3.43Å; H333-L399 WeakPolarHBondContact CE1-CD1 3.38Å; L336-L399 HydrophobicContact CD1-CD2 4.37Å; F372-L399 HydrophobicContact CE2-CD2 3.58Å; F372-L399 HydrophobicContact CZ-CD2 3.96Å; P396-L399 HydrophobicContact CG-CB 4.25Å; P396-L399 HydrophobicContact CG-CD1 3.95Å; L399-M401 HydrophobicContact CD2-SD 3.57Å; L399-M401 VanDerWaalsContact CD2-SD 3.57Å; L399-M401 HydrophobicContact CG-SD 3.9Å; L399-Y597 PolarHBondContact N-O 3.44Å; L399-Y597 PolarHBondContact O-N 2.86Å; L399-Y660 HydrophobicContact CB-CD1 3.98Å; L399-Y660 HydrophobicContact CB-CE1 3.62Å; L399-Y660 HydrophobicContact CD2-CD2 4.47Å; L399-Y660 HydrophobicContact CD2-CE1 4.41Å; L399-Y660 HydrophobicContact CD2-CE2 4.25Å
400	Y	97	Very high	94	Very high	70 Å²	70	47.3 Å²	47.3	28%	0.275	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	108.9	175.5	-70.8	-84.8	0	0	0	110.3	M398 D402 M593 P596	M398-Y400 HydrophobicContact CB-CE2 4.49Å; Y400-D402 VanDerWaalsContact C-N 3.31Å; Y400-D402 PolarHBondContact O-N 2.98Å; Y400-M593 HydrophobicContact CD1-CB 3.82Å; Y400-M593 HydrophobicContact CD1-CG 4.26Å; Y400-M593 HydrophobicContact CD2-CE 4.06Å; Y400-M593 HydrophobicContact CE1-CB 3.84Å; Y400-M593 HydrophobicContact CE1-CE 4.1Å; Y400-M593 HydrophobicContact CE1-CG 4.44Å; Y400-M593 HydrophobicContact CE2-CE 3.53Å; Y400-M593 HydrophobicContact CG-CB 4.41Å; Y400-M593 HydrophobicContact CG-CG 4.36Å; Y400-P596 HydrophobicContact CD1-CB 4.23Å; Y400-P596 HydrophobicContact CE1-CB 3.8Å
401	M	96.6	Very high	94.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-82.1	-6.7	-172.5	-68.8	-61.3	-67.7	0	0	114.1	F363 L366 L370 F372 L399 R403 Y404 V595 Y597	F363-M401 HydrophobicContact CD2-CE 3.8Å; F363-M401 HydrophobicContact CE2-CE 3.57Å; F363-M401 HydrophobicContact CZ-CE 4.41Å; L366-M401 HydrophobicContact CD1-CB 3.61Å; L366-M401 HydrophobicContact CD1-CE 4.24Å; L366-M401 HydrophobicContact CD1-CG 3.91Å; L366-M401 HydrophobicContact CD2-CE 4.22Å; L370-M401 HydrophobicContact CD2-CE 3.86Å; L370-M401 HydrophobicContact CD2-CG 4.15Å; L370-M401 HydrophobicContact CD2-SD 3.99Å; F372-M401 HydrophobicContact CZ-CE 4.38Å; F372-M401 HydrophobicContact CZ-SD 4.34Å; L399-M401 HydrophobicContact CD2-SD 3.57Å; L399-M401 VanDerWaalsContact CD2-SD 3.57Å; L399-M401 HydrophobicContact CG-SD 3.9Å; M401-R403 VanDerWaalsContact C-N 3.27Å; M401-R403 PolarHBondContact O-N 2.75Å; M401-R403 VanDerWaalsContact O-N 3.12Å; M401-Y404 HydrophobicContact CE-CD2 3.96Å; M401-Y404 HydrophobicContact CE-CG 4.49Å; M401-Y404 PolarHBondContact O-N 2.91Å; M401-Y404 HydrophobicContact SD-CD2 3.99Å; M401-Y404 HydrophobicContact SD-CE2 4.42Å; M401-V595 HydrophobicContact CB-CB 4.3Å; M401-V595 HydrophobicContact CB-CG1 3.95Å; M401-V595 PolarHBondContact N-O 3.13Å; M401-Y597 HydrophobicContact CB-CD2 4.33Å; M401-Y597 HydrophobicContact CG-CD2 3.7Å; M401-Y597 HydrophobicContact CG-CE2 4.18Å; M401-Y597 HydrophobicContact CG-CG 4.35Å
402	D	95.8	Very high	94.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.011	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-47.3	-43.7	-175.9	-63.4	-106.8	0	0	0	114.5	Y400 Y404 M405 N408 M592 Q594 V595	Y400-D402 VanDerWaalsContact C-N 3.31Å; Y400-D402 PolarHBondContact O-N 2.98Å; D402-Y404 PolarHBondContact O-N 3.37Å; D402-M405 PolarHBondContact O-N 2.9Å; D402-N408 WeakPolarHBondContact O-CB 3.46Å; D402-M592 VanDerWaalsContact CB-C 3.49Å; D402-M592 HydrophobicContact CB-CB 4.43Å; D402-M592 WeakPolarHBondContact CB-O 3.09Å; D402-Q594 VanDerWaalsContact OD1-CA 3.3Å; D402-Q594 WeakPolarHBondContact OD1-CA 3.32Å; D402-Q594 VanDerWaalsContact OD1-CB 3.26Å; D402-Q594 WeakPolarHBondContact OD1-CB 3.44Å; D402-Q594 PolarHBondContact OD1-N 2.64Å; D402-Q594 PolarHBondContact OD2-N 3.39Å; D402-V595 PolarHBondContact OD1-N 3.15Å; D402-V595 WeakPolarHBondContact OD2-CA 3.42Å; D402-V595 WeakPolarHBondContact OD2-CB 3.28Å; D402-V595 PolarHBondContact OD2-N 3.21Å
403	R	94.9	Very high	94.9	Very high	35 Å²	35	44 Å²	44	13%	0.132	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64.4	-22.5	-176.9	75.7	172.2	85.9	172.8	6.4	113.2	H333 E337 M401 T412 Y587 M592	H333-R403 PolarHBondContact CD2-NH2 3.18Å; H333-R403 VanDerWaalsContact CD2-NH2 3.26Å; H333-R403 PolarHBondContact CE1-NH2 3.16Å; H333-R403 PolarHBondContact NE2-NH2 3.19Å; E337-R403 WeakPolarHBondContact OE1-CD 3.5Å; E337-R403 IonicContact OE1-CZ 3.18Å; E337-R403 IonicContact OE1-NE 2.85Å; E337-R403 IonicContact OE1-NH1 2.69Å; E337-R403 PolarHBondContact OE1-NH1 2.93Å; M401-R403 VanDerWaalsContact C-N 3.27Å; M401-R403 PolarHBondContact O-N 2.75Å; M401-R403 VanDerWaalsContact O-N 3.12Å; R403-T412 WeakPolarHBondContact O-CB 3.39Å; R403-T412 VanDerWaalsContact O-CG2 3.25Å; R403-T412 WeakPolarHBondContact O-CG2 3.44Å; R403-T412 PolarHBondContact O-OG1 3.37Å; R403-Y587 HydrophobicContact CB-CD1 3.81Å; R403-Y587 HydrophobicContact CB-CE1 3.82Å; R403-Y587 HydrophobicContact CB-CG 4.49Å; R403-Y587 VanDerWaalsContact NH1-CE2 3.35Å; R403-M592 HydrophobicContact CB-CE 3.96Å
404	Y	95.5	Very high	94.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-97.5	-5.7	-176.2	-54.1	-68.2	0	0	0	113.5	H333 L336 E337 M340 F363 M401 D402	H333-Y404 VanDerWaalsContact CA-OH 3.25Å; H333-Y404 WeakPolarHBondContact CA-OH 3.43Å; H333-Y404 AromaticContact ND1-CE2 3.61Å; H333-Y404 AromaticContact ND1-CZ 3.66Å; H333-Y404 PolarHBondContact ND1-OH 2.92Å; H333-Y404 PolarHBondContact O-OH 2.96Å; H333-Y404 VanDerWaalsContact O-OH 3.04Å; L336-Y404 HydrophobicContact CB-CE1 3.67Å; L336-Y404 HydrophobicContact CB-CE2 4.25Å; L336-Y404 WeakPolarHBondContact CB-OH 3.37Å; L336-Y404 HydrophobicContact CD1-CE2 4.06Å; E337-Y404 HydrophobicContact CG-CE1 3.6Å; M340-Y404 HydrophobicContact CE-CD1 4.43Å; M340-Y404 HydrophobicContact SD-CD1 3.36Å; M340-Y404 WeakPolarHBondContact SD-CD1 3.47Å; M340-Y404 HydrophobicContact SD-CE1 4.16Å; M340-Y404 HydrophobicContact SD-CG 3.85Å; F363-Y404 PolarHBondContact N-O 3.39Å; M401-Y404 HydrophobicContact CE-CD2 3.96Å; M401-Y404 HydrophobicContact CE-CG 4.49Å; M401-Y404 PolarHBondContact O-N 2.91Å; M401-Y404 HydrophobicContact SD-CD2 3.99Å; M401-Y404 HydrophobicContact SD-CE2 4.42Å; D402-Y404 PolarHBondContact O-N 3.37Å
405	M	94.9	Very high	94.7	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.044	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-83.5	139.3	-178	-62.1	-74.2	-32.6	0	0	111.8	F363 T364 L366 D402 R407 N408 R409	F363-M405 HydrophobicContact CB-CE 4.5Å; F363-M405 HydrophobicContact CB-SD 4.19Å; F363-M405 CarbonylContact O-C 3.55Å; F363-M405 WeakPolarHBondContact O-CA 3.28Å; F363-M405 WeakPolarHBondContact O-CE 3.43Å; T364-M405 WeakPolarHBondContact O-CE 3.4Å; L366-M405 HydrophobicContact CD1-SD 3.53Å; L366-M405 VanDerWaalsContact CD1-SD 3.53Å; L366-M405 HydrophobicContact CG-SD 3.86Å; D402-M405 PolarHBondContact O-N 2.9Å; M405-R407 VanDerWaalsContact C-N 3.28Å; M405-R407 HydrophobicContact CB-CG 3.54Å; M405-R407 HydrophobicContact CG-CG 4.48Å; M405-R407 PolarHBondContact O-N 3.44Å; M405-R407 PolarHBondContact SD-NH2 3.46Å; M405-R407 VanDerWaalsContact SD-NH2 3.43Å; M405-N408 PolarHBondContact O-N 2.97Å; M405-R409 PolarHBondContact O-N 2.96Å
406	D	94.4	Very high	94.4	Very high	45 Å²	45	47.7 Å²	47.7	24%	0.241	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-56.8	-37.9	179.9	-174.2	69.4	0	0	0	113.7	W362 F363 T364 N408 R409	W362-D406 HydrophobicContact CB-CB 4.05Å; F363-D406 PolarHBondContact O-N 3.37Å; T364-D406 HydrophobicContact CG2-CB 4.18Å; D406-N408 PolarHBondContact O-N 2.87Å; D406-R409 WeakPolarHBondContact O-CB 3.27Å; D406-R409 PolarHBondContact O-N 2.7Å; D406-R409 WeakPolarHBondContact OD1-CD 3.42Å; D406-R409 IonicContact OD1-CZ 3.06Å; D406-R409 IonicContact OD1-NE 2.7Å; D406-R409 PolarHBondContact OD1-NE 3.39Å; D406-R409 IonicContact OD1-NH1 3.29Å; D406-R409 PolarHBondContact OD1-NH1 2.86Å; D406-R409 IonicContact OD1-NH2 2.96Å
407	R	94.2	Very high	94.2	Very high	160 Å²	160	48.8 Å²	48.8	60%	0.604	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-50.9	-25.4	171.5	46.2	160.4	163.2	-149.7	-16.3	114.9	M405	M405-R407 VanDerWaalsContact C-N 3.28Å; M405-R407 HydrophobicContact CB-CG 3.54Å; M405-R407 HydrophobicContact CG-CG 4.48Å; M405-R407 PolarHBondContact O-N 3.44Å; M405-R407 PolarHBondContact SD-NH2 3.46Å; M405-R407 VanDerWaalsContact SD-NH2 3.43Å
408	N	94.6	Very high	94.1	Very high	20 Å²	20	49.9 Å²	49.9	11%	0.107	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-109	0.9	-178.4	-67.5	35.8	0	0	0	112.2	D402 M405 D406 E410 I411 T412 M592	D402-N408 WeakPolarHBondContact O-CB 3.46Å; M405-N408 PolarHBondContact O-N 2.97Å; D406-N408 PolarHBondContact O-N 2.87Å; N408-E410 VanDerWaalsContact C-N 3.34Å; N408-E410 PolarHBondContact O-N 3.36Å; N408-E410 VanDerWaalsContact O-N 3.14Å; N408-I411 WeakPolarHBondContact O-CB 3.45Å; N408-I411 PolarHBondContact O-N 3.29Å; N408-T412 PolarHBondContact O-N 3.12Å; N408-T412 PolarHBondContact O-OG1 3.06Å; N408-M592 HydrophobicContact CB-CE 4.44Å; N408-M592 PolarHBondContact ND2-SD 2.98Å
409	R	92.4	Very high	94	Very high	60 Å²	60	48.4 Å²	48.4	23%	0.226	21%	0.214	C	C	.	.	H	α-helix	trans	-43.3	-49.5	-172.5	177.3	165.7	73	-173.6	8	114.6	W362 M405 D406 T412 R413	W362-R409 HydrophobicContact CD2-CB 4.09Å; W362-R409 HydrophobicContact CD2-CG 3.81Å; W362-R409 HydrophobicContact CE3-CB 3.98Å; W362-R409 HydrophobicContact CE3-CG 4.16Å; W362-R409 HydrophobicContact CG-CG 4.36Å; W362-R409 HydrophobicContact CH2-CB 4.43Å; W362-R409 HydrophobicContact CH2-CG 4.18Å; W362-R409 HydrophobicContact CZ2-CG 3.82Å; W362-R409 HydrophobicContact CZ3-CB 4.17Å; W362-R409 HydrophobicContact CZ3-CG 4.34Å; M405-R409 PolarHBondContact O-N 2.96Å; D406-R409 WeakPolarHBondContact O-CB 3.27Å; D406-R409 PolarHBondContact O-N 2.7Å; D406-R409 WeakPolarHBondContact OD1-CD 3.42Å; D406-R409 IonicContact OD1-CZ 3.06Å; D406-R409 IonicContact OD1-NE 2.7Å; D406-R409 PolarHBondContact OD1-NE 3.39Å; D406-R409 IonicContact OD1-NH1 3.29Å; D406-R409 PolarHBondContact OD1-NH1 2.86Å; D406-R409 IonicContact OD1-NH2 2.96Å; R409-T412 PolarHBondContact O-N 3.39Å; R409-R413 WeakPolarHBondContact O-CG 3.18Å; R409-R413 PolarHBondContact O-N 2.9Å
410	E	92.1	Very high	93.6	Very high	121 Å²	121	53.5 Å²	53.5	57%	0.565	23%	0.233	S	C	*	.	H	α-helix	trans	-67.7	-40.5	-178.8	-167.2	63.4	-166.8	0	0	112.5	N408 R413 I414	N408-E410 VanDerWaalsContact C-N 3.34Å; N408-E410 PolarHBondContact O-N 3.36Å; N408-E410 VanDerWaalsContact O-N 3.14Å; E410-R413 PolarHBondContact O-N 3.19Å; E410-I414 HydrophobicContact CG-CD1 4.34Å; E410-I414 VanDerWaalsContact O-CG1 3.31Å; E410-I414 WeakPolarHBondContact O-CG1 3.5Å; E410-I414 PolarHBondContact O-N 3.17Å; E410-I414 VanDerWaalsContact O-N 3.07Å
411	I	94.1	Very high	93.5	Very high	79 Å²	79	56 Å²	56	41%	0.405	24%	0.242	S	C	.	.	H	α-helix	trans	-66.5	-42.5	177.5	-57.8	174.6	0	0	0	109.8	N408 I414 K415 M592	N408-I411 WeakPolarHBondContact O-CB 3.45Å; N408-I411 PolarHBondContact O-N 3.29Å; I411-I414 PolarHBondContact O-N 3.14Å; I411-K415 HydrophobicContact CG2-CD 4.18Å; I411-K415 WeakPolarHBondContact O-CG 3.37Å; I411-K415 PolarHBondContact O-N 3.14Å; I411-M592 HydrophobicContact CG2-CE 4.29Å; I411-M592 HydrophobicContact CG2-SD 4.01Å
412	T	92.9	Very high	93.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-44.7	175.6	-61.4	0	0	0	0	111.5	W362 R403 N408 R409 I414 K415 R416 Y587	W362-T412 HydrophobicContact CH2-CG2 3.7Å; W362-T412 HydrophobicContact CZ3-CG2 3.88Å; R403-T412 WeakPolarHBondContact O-CB 3.39Å; R403-T412 VanDerWaalsContact O-CG2 3.25Å; R403-T412 WeakPolarHBondContact O-CG2 3.44Å; R403-T412 PolarHBondContact O-OG1 3.37Å; N408-T412 PolarHBondContact O-N 3.12Å; N408-T412 PolarHBondContact O-OG1 3.06Å; R409-T412 PolarHBondContact O-N 3.39Å; T412-I414 PolarHBondContact O-N 2.66Å; T412-K415 PolarHBondContact O-N 2.81Å; T412-R416 HydrophobicContact CG2-CG 4.13Å; T412-R416 WeakPolarHBondContact O-CB 3.29Å; T412-R416 WeakPolarHBondContact O-CG 3.49Å; T412-R416 PolarHBondContact O-N 3.22Å; T412-Y587 HydrophobicContact CG2-CE1 4.41Å
413	R	91.2	Very high	93.3	Very high	84 Å²	84	61.5 Å²	61.5	32%	0.317	27%	0.267	S	S	.	.	H	α-helix	trans	-59.1	-43.6	176.5	-78.2	178.8	177.1	159.4	-1.8	112.4	E360 W362 R409 E410 R416 E417	E360-R413 IonicContact OE1-NE 3.25Å; E360-R413 PolarHBondContact OE1-NE 3.48Å; E360-R413 IonicContact OE2-CZ 2.73Å; E360-R413 IonicContact OE2-NE 3.21Å; E360-R413 PolarHBondContact OE2-NE 3.42Å; E360-R413 IonicContact OE2-NH2 2.8Å; E360-R413 PolarHBondContact OE2-NH2 2.88Å; W362-R413 HydrophobicContact CH2-CG 4.36Å; W362-R413 HydrophobicContact CZ2-CG 4.11Å; R409-R413 WeakPolarHBondContact O-CG 3.18Å; R409-R413 PolarHBondContact O-N 2.9Å; E410-R413 PolarHBondContact O-N 3.19Å; R413-R416 PolarHBondContact O-N 3.5Å; R413-E417 PolarHBondContact O-N 3.02Å
414	I	93.4	Very high	93.2	Very high	108 Å²	108	64.3 Å²	64.3	55%	0.554	28%	0.282	S	S	*	.	H	α-helix	trans	-62.1	-43.9	175.5	-66.9	165	0	0	0	111.1	E410 I411 T412 E418	E410-I414 HydrophobicContact CG-CD1 4.34Å; E410-I414 VanDerWaalsContact O-CG1 3.31Å; E410-I414 WeakPolarHBondContact O-CG1 3.5Å; E410-I414 PolarHBondContact O-N 3.17Å; E410-I414 VanDerWaalsContact O-N 3.07Å; I411-I414 PolarHBondContact O-N 3.14Å; T412-I414 PolarHBondContact O-N 2.66Å; I414-E418 PolarHBondContact O-N 3.19Å; I414-E418 VanDerWaalsContact O-N 3.15Å
415	K	94	Very high	93.2	Very high	28 Å²	28	69.1 Å²	69.1	12%	0.122	30%	0.304	C	S	.	.	H	α-helix	trans	-67.6	-39.8	177.6	-74.1	176.9	177.8	-73.8	0	112.8	I411 T412 E418 I419 M586 Y587 D589 M592	I411-K415 HydrophobicContact CG2-CD 4.18Å; I411-K415 WeakPolarHBondContact O-CG 3.37Å; I411-K415 PolarHBondContact O-N 3.14Å; T412-K415 PolarHBondContact O-N 2.81Å; K415-E418 PolarHBondContact O-N 2.91Å; K415-I419 WeakPolarHBondContact O-CB 3.27Å; K415-I419 VanDerWaalsContact O-CG1 3.29Å; K415-I419 WeakPolarHBondContact O-CG1 3.24Å; K415-I419 PolarHBondContact O-N 2.76Å; K415-M586 HydrophobicContact CB-CG 4Å; K415-M586 HydrophobicContact CB-SD 4.33Å; K415-M586 HydrophobicContact CD-CG 4.24Å; K415-M586 HydrophobicContact CD-SD 4.45Å; K415-M586 WeakPolarHBondContact CE-O 3.37Å; K415-M586 HydrophobicContact CG-CG 4.07Å; K415-M586 HydrophobicContact CG-SD 3.96Å; K415-M586 PolarHBondContact NZ-O 2.92Å; K415-Y587 HydrophobicContact CB-CE1 3.88Å; K415-Y587 HydrophobicContact CD-CD1 3.81Å; K415-Y587 HydrophobicContact CD-CE1 3.78Å; K415-Y587 HydrophobicContact CG-CE1 4.49Å; K415-D589 WeakPolarHBondContact CE-OD2 3.38Å; K415-D589 IonicContact NZ-OD2 2.65Å; K415-D589 PolarHBondContact NZ-OD2 3.05Å; K415-M592 HydrophobicContact CD-CE 4.47Å
416	R	91.4	Very high	93.3	Very high	34 Å²	34	69.4 Å²	69.4	13%	0.128	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-45.6	174.3	-78.1	180	173.7	166.3	-0.2	111.8	E337 T412 R413 E418 I419 R420	E337-R416 IonicContact OE2-NE 3.22Å; T412-R416 HydrophobicContact CG2-CG 4.13Å; T412-R416 WeakPolarHBondContact O-CB 3.29Å; T412-R416 WeakPolarHBondContact O-CG 3.49Å; T412-R416 PolarHBondContact O-N 3.22Å; R413-R416 PolarHBondContact O-N 3.5Å; R416-E418 VanDerWaalsContact C-N 3.34Å; R416-E418 PolarHBondContact O-N 3.09Å; R416-I419 PolarHBondContact O-N 2.95Å; R416-R420 WeakPolarHBondContact O-CB 3.4Å; R416-R420 PolarHBondContact O-N 2.93Å
417	E	90.5	Very high	93.2	Very high	64 Å²	64	70.2 Å²	70.2	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-38.3	176.8	168.5	60	-175.1	0	0	112.2	R413 R420 R421	R413-E417 PolarHBondContact O-N 3.02Å; E417-R420 WeakPolarHBondContact O-CB 3.42Å; E417-R420 PolarHBondContact O-N 2.74Å; E417-R420 IonicContact OE1-CZ 3.9Å; E417-R420 IonicContact OE1-NH2 2.68Å; E417-R420 PolarHBondContact OE1-NH2 3.48Å; E417-R420 IonicContact OE2-CZ 2.67Å; E417-R420 VanDerWaalsContact OE2-CZ 3.22Å; E417-R420 IonicContact OE2-NE 3.99Å; E417-R420 PolarHBondContact OE2-NE 2.84Å; E417-R420 IonicContact OE2-NH2 3.66Å; E417-R420 PolarHBondContact OE2-NH2 3.41Å; E417-R421 WeakPolarHBondContact O-CG 3.37Å; E417-R421 PolarHBondContact O-N 2.69Å; E417-R421 VanDerWaalsContact O-N 3.17Å; E417-R421 IonicContact OE1-CZ 3.02Å; E417-R421 IonicContact OE1-NE 3.9Å; E417-R421 PolarHBondContact OE1-NE 2.73Å; E417-R421 IonicContact OE1-NH2 2.78Å; E417-R421 PolarHBondContact OE1-NH2 3.37Å
418	E	93.9	Very high	93.4	Very high	78 Å²	78	66.8 Å²	66.8	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-72.5	-39.3	175.3	-165.8	61.9	-166	0	0	112.1	I414 K415 R416 R420 R421 L422 M586	I414-E418 PolarHBondContact O-N 3.19Å; I414-E418 VanDerWaalsContact O-N 3.15Å; K415-E418 PolarHBondContact O-N 2.91Å; R416-E418 VanDerWaalsContact C-N 3.34Å; R416-E418 PolarHBondContact O-N 3.09Å; E418-R420 VanDerWaalsContact C-N 3.29Å; E418-R420 PolarHBondContact O-N 2.83Å; E418-R421 PolarHBondContact O-N 3.46Å; E418-R421 WeakPolarHBondContact OE2-CD 3.44Å; E418-R421 IonicContact OE2-CZ 2.74Å; E418-R421 IonicContact OE2-NH1 3.77Å; E418-R421 PolarHBondContact OE2-NH1 2.98Å; E418-L422 HydrophobicContact CG-CD1 4.33Å; E418-L422 WeakPolarHBondContact O-CB 3.34Å; E418-L422 VanDerWaalsContact O-CG 3.28Å; E418-L422 WeakPolarHBondContact O-CG 3.31Å; E418-L422 PolarHBondContact O-N 2.8Å; E418-M586 HydrophobicContact CB-CE 4.46Å; E418-M586 HydrophobicContact CG-CE 4.24Å
419	I	92.4	Very high	93.4	Very high	19 Å²	19	66.8 Å²	66.8	10%	0.097	31%	0.309	C	S	.	.	H	α-helix	trans	-58.8	-40.8	170.8	-70.7	166.2	0	0	0	110.8	K415 R416 L422 K423 I583 M586 Y587	K415-I419 WeakPolarHBondContact O-CB 3.27Å; K415-I419 VanDerWaalsContact O-CG1 3.29Å; K415-I419 WeakPolarHBondContact O-CG1 3.24Å; K415-I419 PolarHBondContact O-N 2.76Å; R416-I419 PolarHBondContact O-N 2.95Å; I419-L422 PolarHBondContact O-N 2.9Å; I419-K423 HydrophobicContact CG2-CD 4.31Å; I419-K423 HydrophobicContact CG2-CG 4.3Å; I419-K423 WeakPolarHBondContact O-CB 3.44Å; I419-K423 PolarHBondContact O-N 2.9Å; I419-I583 HydrophobicContact CG1-CG2 4.41Å; I419-I583 HydrophobicContact CG2-CG2 4.13Å; I419-M586 HydrophobicContact CD1-CB 4.13Å; I419-M586 HydrophobicContact CD1-CG 3.81Å; I419-M586 HydrophobicContact CG1-CB 4.32Å; I419-M586 HydrophobicContact CG1-CE 4.36Å; I419-M586 HydrophobicContact CG1-CG 3.92Å; I419-Y587 HydrophobicContact CD1-CD2 4.35Å; I419-Y587 HydrophobicContact CD1-CE2 3.51Å
420	R	90.5	Very high	93.6	Very high	108 Å²	108	67.8 Å²	67.8	41%	0.408	32%	0.316	S	S	.	.	H	α-helix	trans	-58.9	-49.8	176.5	-173.6	-173.3	64.6	75.1	3.9	111.1	R416 E417 E418 L422 K423 E424	R416-R420 WeakPolarHBondContact O-CB 3.4Å; R416-R420 PolarHBondContact O-N 2.93Å; E417-R420 WeakPolarHBondContact O-CB 3.42Å; E417-R420 PolarHBondContact O-N 2.74Å; E417-R420 IonicContact OE1-CZ 3.9Å; E417-R420 IonicContact OE1-NH2 2.68Å; E417-R420 PolarHBondContact OE1-NH2 3.48Å; E417-R420 IonicContact OE2-CZ 2.67Å; E417-R420 VanDerWaalsContact OE2-CZ 3.22Å; E417-R420 IonicContact OE2-NE 3.99Å; E417-R420 PolarHBondContact OE2-NE 2.84Å; E417-R420 IonicContact OE2-NH2 3.66Å; E417-R420 PolarHBondContact OE2-NH2 3.41Å; E418-R420 VanDerWaalsContact C-N 3.29Å; E418-R420 PolarHBondContact O-N 2.83Å; R420-L422 VanDerWaalsContact C-N 3.33Å; R420-L422 PolarHBondContact O-N 3.19Å; R420-K423 PolarHBondContact O-N 3.36Å; R420-E424 IonicContact CZ-OE1 2.84Å; R420-E424 IonicContact CZ-OE2 2.66Å; R420-E424 IonicContact NH1-OE1 2.68Å; R420-E424 PolarHBondContact NH1-OE1 3.02Å; R420-E424 IonicContact NH1-OE2 3.81Å; R420-E424 PolarHBondContact NH1-OE2 2.78Å; R420-E424 WeakPolarHBondContact O-CB 3.42Å; R420-E424 WeakPolarHBondContact O-CG 3.39Å; R420-E424 PolarHBondContact O-N 2.71Å
421	R	94.4	Very high	93.8	Very high	121 Å²	121	67.5 Å²	67.5	46%	0.457	32%	0.315	S	S	.	.	H	α-helix	trans	-62.2	-38.5	176.6	-65.8	165.8	-173	174.3	0.1	112.7	E417 E418 E424 H425	E417-R421 WeakPolarHBondContact O-CG 3.37Å; E417-R421 PolarHBondContact O-N 2.69Å; E417-R421 VanDerWaalsContact O-N 3.17Å; E417-R421 IonicContact OE1-CZ 3.02Å; E417-R421 IonicContact OE1-NE 3.9Å; E417-R421 PolarHBondContact OE1-NE 2.73Å; E417-R421 IonicContact OE1-NH2 2.78Å; E417-R421 PolarHBondContact OE1-NH2 3.37Å; E418-R421 PolarHBondContact O-N 3.46Å; E418-R421 WeakPolarHBondContact OE2-CD 3.44Å; E418-R421 IonicContact OE2-CZ 2.74Å; E418-R421 IonicContact OE2-NH1 3.77Å; E418-R421 PolarHBondContact OE2-NH1 2.98Å; R421-E424 PolarHBondContact O-N 2.74Å; R421-H425 WeakPolarHBondContact O-CB 3.48Å; R421-H425 PolarHBondContact O-N 2.92Å
422	L	95.3	Very high	93.8	Very high	24 Å²	24	68.6 Å²	68.6	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-68.3	-42.3	176.1	-71.7	171.9	0	0	0	111.7	E418 I419 R420 H425 L426 I579 T582 I583 M586	E418-L422 HydrophobicContact CG-CD1 4.33Å; E418-L422 WeakPolarHBondContact O-CB 3.34Å; E418-L422 VanDerWaalsContact O-CG 3.28Å; E418-L422 WeakPolarHBondContact O-CG 3.31Å; E418-L422 PolarHBondContact O-N 2.8Å; I419-L422 PolarHBondContact O-N 2.9Å; R420-L422 VanDerWaalsContact C-N 3.33Å; R420-L422 PolarHBondContact O-N 3.19Å; L422-H425 PolarHBondContact O-N 3.14Å; L422-L426 WeakPolarHBondContact O-CB 3.28Å; L422-L426 PolarHBondContact O-N 2.8Å; L422-I579 HydrophobicContact CB-CG2 4.07Å; L422-I579 HydrophobicContact CD2-CG2 4.27Å; L422-T582 HydrophobicContact CD1-CG2 3.92Å; L422-I583 HydrophobicContact CB-CD1 3.96Å; L422-I583 HydrophobicContact CB-CG1 3.93Å; L422-I583 HydrophobicContact CD1-CG1 4.11Å; L422-M586 HydrophobicContact CD1-CE 3.96Å
423	K	92.1	Very high	94	Very high	94 Å²	94	69.6 Å²	69.6	41%	0.409	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-41	171.7	-78.1	-170.7	171.7	-171.7	0	111	E334 I419 R420 L426 T427 I583	E334-K423 IonicContact OE1-NZ 3.68Å; E334-K423 PolarHBondContact OE1-NZ 3.15Å; I419-K423 HydrophobicContact CG2-CD 4.31Å; I419-K423 HydrophobicContact CG2-CG 4.3Å; I419-K423 WeakPolarHBondContact O-CB 3.44Å; I419-K423 PolarHBondContact O-N 2.9Å; R420-K423 PolarHBondContact O-N 3.36Å; K423-L426 WeakPolarHBondContact O-CB 3.4Å; K423-L426 PolarHBondContact O-N 3.34Å; K423-T427 WeakPolarHBondContact O-CG2 3.26Å; K423-T427 PolarHBondContact O-N 2.95Å; K423-I583 HydrophobicContact CG-CD1 4.09Å
424	E	93.8	Very high	94.2	Very high	94 Å²	94	70.2 Å²	70.2	44%	0.439	33%	0.326	S	S	.	.	H	α-helix	trans	-61.8	-52.5	174.9	-77.4	165.3	-172.9	0	0	111.9	R420 R421 L426 T427 V428	R420-E424 IonicContact CZ-OE1 2.84Å; R420-E424 IonicContact CZ-OE2 2.66Å; R420-E424 IonicContact NH1-OE1 2.68Å; R420-E424 PolarHBondContact NH1-OE1 3.02Å; R420-E424 IonicContact NH1-OE2 3.81Å; R420-E424 PolarHBondContact NH1-OE2 2.78Å; R420-E424 WeakPolarHBondContact O-CB 3.42Å; R420-E424 WeakPolarHBondContact O-CG 3.39Å; R420-E424 PolarHBondContact O-N 2.71Å; R421-E424 PolarHBondContact O-N 2.74Å; E424-L426 VanDerWaalsContact C-N 3.31Å; E424-L426 PolarHBondContact O-N 3.07Å; E424-T427 PolarHBondContact O-N 3.28Å; E424-T427 PolarHBondContact O-OG1 3.19Å; E424-V428 PolarHBondContact O-N 3.21Å
425	H	95.5	Very high	94.3	Very high	101 Å²	101	73.1 Å²	73.1	47%	0.468	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-39.8	176.7	-174.1	-162.7	0	0	0	112.2	R421 L422 T427 V428 L429	R421-H425 WeakPolarHBondContact O-CB 3.48Å; R421-H425 PolarHBondContact O-N 2.92Å; L422-H425 PolarHBondContact O-N 3.14Å; H425-T427 PolarHBondContact O-N 2.84Å; H425-V428 PolarHBondContact O-N 3.18Å; H425-L429 WeakPolarHBondContact O-CG 3.29Å; H425-L429 PolarHBondContact O-N 3.21Å
426	L	95.3	Very high	94.4	Very high	16 Å²	16	73.4 Å²	73.4	8%	0.084	33%	0.33	C	S	.	.	H	α-helix	trans	-55.5	-48.1	174.1	173.2	66.2	0	0	0	111.9	L422 K423 E424 V428 L429 Q430 I576 I579 H580	L422-L426 WeakPolarHBondContact O-CB 3.28Å; L422-L426 PolarHBondContact O-N 2.8Å; K423-L426 WeakPolarHBondContact O-CB 3.4Å; K423-L426 PolarHBondContact O-N 3.34Å; E424-L426 VanDerWaalsContact C-N 3.31Å; E424-L426 PolarHBondContact O-N 3.07Å; L426-V428 VanDerWaalsContact C-N 3.29Å; L426-V428 PolarHBondContact O-N 3.36Å; L426-L429 PolarHBondContact O-N 2.89Å; L426-L429 VanDerWaalsContact O-N 3.17Å; L426-Q430 HydrophobicContact CD1-CG 4.22Å; L426-Q430 HydrophobicContact CG-CG 4.46Å; L426-Q430 WeakPolarHBondContact O-CG 3.37Å; L426-Q430 PolarHBondContact O-N 2.79Å; L426-I576 HydrophobicContact CD1-CB 4.25Å; L426-I576 HydrophobicContact CD1-CG1 4.1Å; L426-I576 HydrophobicContact CD1-CG2 3.82Å; L426-I579 HydrophobicContact CB-CG2 4.07Å; L426-H580 WeakPolarHBondContact CD1-NE2 3.38Å
427	T	94.3	Very high	94.5	Very high	61 Å²	61	74.9 Å²	74.9	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-35	178.4	62.5	0	0	0	0	112.8	K423 E424 H425 Q430 Q431	K423-T427 WeakPolarHBondContact O-CG2 3.26Å; K423-T427 PolarHBondContact O-N 2.95Å; E424-T427 PolarHBondContact O-N 3.28Å; E424-T427 PolarHBondContact O-OG1 3.19Å; H425-T427 PolarHBondContact O-N 2.84Å; T427-Q430 PolarHBondContact O-N 2.93Å; T427-Q431 WeakPolarHBondContact O-CB 3.42Å; T427-Q431 VanDerWaalsContact O-CG 3.25Å; T427-Q431 WeakPolarHBondContact O-CG 3.4Å; T427-Q431 PolarHBondContact O-N 3.29Å
428	V	96.4	Very high	94.7	Very high	88 Å²	88	73.8 Å²	73.8	53%	0.533	34%	0.339	S	S	.	.	H	α-helix	trans	-65.8	-40.2	175.2	175.1	0	0	0	0	111.3	E424 H425 L426 R432	E424-V428 PolarHBondContact O-N 3.21Å; H425-V428 PolarHBondContact O-N 3.18Å; L426-V428 VanDerWaalsContact C-N 3.29Å; L426-V428 PolarHBondContact O-N 3.36Å; V428-R432 WeakPolarHBondContact O-CB 3.27Å; V428-R432 PolarHBondContact O-N 3.22Å
429	L	96.2	Very high	94.8	Very high	21 Å²	21	75.5 Å²	75.5	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-69.4	-40.9	176.2	-64.3	178.3	0	0	0	112.1	H425 L426 R432 L433 L572 I576 I579	H425-L429 WeakPolarHBondContact O-CG 3.29Å; H425-L429 PolarHBondContact O-N 3.21Å; L426-L429 PolarHBondContact O-N 2.89Å; L426-L429 VanDerWaalsContact O-N 3.17Å; L429-R432 PolarHBondContact O-N 3.43Å; L429-L433 WeakPolarHBondContact O-CB 3.26Å; L429-L433 PolarHBondContact O-N 3.48Å; L429-L572 HydrophobicContact CD2-CD2 3.85Å; L429-I576 HydrophobicContact CB-CD1 4.2Å; L429-I576 HydrophobicContact CB-CG1 3.86Å; L429-I576 HydrophobicContact CD1-CG1 4.49Å; L429-I579 HydrophobicContact CD1-CD1 3.65Å
430	Q	95.9	Very high	94.8	Very high	81 Å²	81	76 Å²	76	38%	0.379	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-48.7	174	-72.1	169.5	-17.3	0	0	111.1	L426 T427 R432 L433 E434 I576	L426-Q430 HydrophobicContact CD1-CG 4.22Å; L426-Q430 HydrophobicContact CG-CG 4.46Å; L426-Q430 WeakPolarHBondContact O-CG 3.37Å; L426-Q430 PolarHBondContact O-N 2.79Å; T427-Q430 PolarHBondContact O-N 2.93Å; Q430-R432 PolarHBondContact O-N 2.92Å; Q430-L433 PolarHBondContact O-N 3.16Å; Q430-E434 WeakPolarHBondContact O-CB 3.45Å; Q430-E434 PolarHBondContact O-N 2.84Å; Q430-I576 HydrophobicContact CG-CD1 4.04Å; Q430-I576 HydrophobicContact CG-CG1 4.42Å
431	Q	95.3	Very high	94.8	Very high	114 Å²	114	76.9 Å²	76.9	53%	0.533	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-24	174.6	-73.6	178.4	22.8	0	0	113.9	T427 R435	T427-Q431 WeakPolarHBondContact O-CB 3.42Å; T427-Q431 VanDerWaalsContact O-CG 3.25Å; T427-Q431 WeakPolarHBondContact O-CG 3.4Å; T427-Q431 PolarHBondContact O-N 3.29Å; Q431-R435 WeakPolarHBondContact O-CG 3.4Å; Q431-R435 PolarHBondContact O-NE 3.25Å; Q431-R435 VanDerWaalsContact O-NE 3.08Å
432	R	96.1	Very high	94.6	Very high	102 Å²	102	73 Å²	73	39%	0.385	37%	0.373	S	S	.	.	H	α-helix	trans	-78	-46.8	171.4	-179.8	171.1	171.1	-150.6	-9.4	110.7	V428 L429 Q430 E434 R435 Y436 D568 L572	V428-R432 WeakPolarHBondContact O-CB 3.27Å; V428-R432 PolarHBondContact O-N 3.22Å; L429-R432 PolarHBondContact O-N 3.43Å; Q430-R432 PolarHBondContact O-N 2.92Å; R432-E434 VanDerWaalsContact C-N 3.34Å; R432-E434 PolarHBondContact O-N 2.99Å; R432-R435 WeakPolarHBondContact O-CB 3.1Å; R432-R435 PolarHBondContact O-N 2.9Å; R432-Y436 HydrophobicContact CG-CE2 3.93Å; R432-Y436 PolarHBondContact NE-OH 3.31Å; R432-Y436 PolarHBondContact NH2-OH 3.48Å; R432-Y436 WeakPolarHBondContact O-CD2 3.35Å; R432-Y436 WeakPolarHBondContact O-CE2 3.46Å; R432-D568 IonicContact CZ-OD1 3.89Å; R432-D568 IonicContact NH2-OD1 2.83Å; R432-D568 PolarHBondContact NH2-OD1 2.91Å; R432-D568 IonicContact NH2-OD2 2.72Å; R432-D568 PolarHBondContact NH2-OD2 2.96Å; R432-L572 HydrophobicContact CB-CD2 4.44Å; R432-L572 HydrophobicContact CG-CD1 3.84Å; R432-L572 HydrophobicContact CG-CD2 4.2Å
433	L	96	Very high	94.2	Very high	21 Å²	21	78.5 Å²	78.5	11%	0.11	41%	0.41	C	S	.	.	H	α-helix	trans	-58	-44.3	177.6	177.7	61	0	0	0	111.8	L429 Q430 R435 Y436 L437 T569 L572 Q573 I576	L429-L433 WeakPolarHBondContact O-CB 3.26Å; L429-L433 PolarHBondContact O-N 3.48Å; Q430-L433 PolarHBondContact O-N 3.16Å; L433-R435 PolarHBondContact O-N 2.94Å; L433-R435 VanDerWaalsContact O-N 3.1Å; L433-Y436 PolarHBondContact O-N 3.48Å; L433-L437 HydrophobicContact CD1-CD1 4.24Å; L433-L437 HydrophobicContact CD1-CG 4.28Å; L433-L437 HydrophobicContact CD2-CD1 4.4Å; L433-L437 HydrophobicContact CG-CD1 3.93Å; L433-L437 HydrophobicContact CG-CG 4.35Å; L433-L437 PolarHBondContact O-N 2.94Å; L433-T569 HydrophobicContact CD1-CG2 3.73Å; L433-L572 HydrophobicContact CB-CB 4.42Å; L433-L572 HydrophobicContact CB-CD1 4.44Å; L433-L572 HydrophobicContact CD1-CB 4.33Å; L433-Q573 HydrophobicContact CD1-CG 4.14Å; L433-Q573 HydrophobicContact CD2-CG 3.84Å; L433-I576 HydrophobicContact CB-CD1 4.37Å; L433-I576 HydrophobicContact CD2-CD1 3.74Å
434	E	95.4	Very high	94.1	Very high	98 Å²	98	81.9 Å²	81.9	46%	0.458	43%	0.425	S	S	.	.	H	α-helix	trans	-57.7	-26.9	179	-169.8	56.2	-148	0	0	113.1	Q430 R432 Y436 L437 S438	Q430-E434 WeakPolarHBondContact O-CB 3.45Å; Q430-E434 PolarHBondContact O-N 2.84Å; R432-E434 VanDerWaalsContact C-N 3.34Å; R432-E434 PolarHBondContact O-N 2.99Å; E434-Y436 VanDerWaalsContact C-N 3.31Å; E434-Y436 PolarHBondContact O-N 2.86Å; E434-L437 PolarHBondContact O-N 2.74Å; E434-S438 WeakPolarHBondContact O-CA 3.31Å; E434-S438 WeakPolarHBondContact O-CB 3.16Å; E434-S438 PolarHBondContact O-N 3.35Å; E434-S438 WeakPolarHBondContact OE1-CB 3.39Å; E434-S438 PolarHBondContact OE1-OG 3.13Å
435	R	94.9	Very high	94	Very high	168 Å²	168	83.3 Å²	83.3	63%	0.634	43%	0.426	S	S	*	.	H	α-helix	trans	-72.7	-22.3	176.4	-62.5	169.1	-162.4	-162.3	0.7	113.4	Q431 R432 L433	Q431-R435 WeakPolarHBondContact O-CG 3.4Å; Q431-R435 PolarHBondContact O-NE 3.25Å; Q431-R435 VanDerWaalsContact O-NE 3.08Å; R432-R435 WeakPolarHBondContact O-CB 3.1Å; R432-R435 PolarHBondContact O-N 2.9Å; L433-R435 PolarHBondContact O-N 2.94Å; L433-R435 VanDerWaalsContact O-N 3.1Å
436	Y	96	Very high	94	Very high	34 Å²	34	84 Å²	84	13%	0.133	43%	0.428	C	S	.	.	H	α-helix	trans	-88.6	-33.2	173.5	-58.8	-98	0	0	0	111.2	R432 L433 E434 P447 L448 V565 D568 L572	R432-Y436 HydrophobicContact CG-CE2 3.93Å; R432-Y436 PolarHBondContact NE-OH 3.31Å; R432-Y436 PolarHBondContact NH2-OH 3.48Å; R432-Y436 WeakPolarHBondContact O-CD2 3.35Å; R432-Y436 WeakPolarHBondContact O-CE2 3.46Å; L433-Y436 PolarHBondContact O-N 3.48Å; E434-Y436 VanDerWaalsContact C-N 3.31Å; E434-Y436 PolarHBondContact O-N 2.86Å; Y436-P447 CarbonylContact O-C 3.48Å; Y436-P447 WeakPolarHBondContact O-CA 3.39Å; Y436-L448 HydrophobicContact CD1-CD2 4.3Å; Y436-L448 PolarHBondContact O-N 3.43Å; Y436-V565 HydrophobicContact CD1-CB 4.49Å; Y436-V565 HydrophobicContact CD1-CG1 3.98Å; Y436-V565 HydrophobicContact CD1-CG2 4.2Å; Y436-V565 HydrophobicContact CE1-CG2 4.34Å; Y436-D568 HydrophobicContact CE1-CB 3.96Å; Y436-D568 PolarHBondContact OH-OD2 3.01Å; Y436-L572 HydrophobicContact CD2-CD1 4.1Å; Y436-L572 HydrophobicContact CE2-CD1 3.69Å
437	L	95.3	Very high	94.1	Very high	66 Å²	66	85.2 Å²	85.2	35%	0.346	44%	0.437	S	S	.	.	H	α-helix	trans	-80.6	-38.9	179.7	-59.2	-179.7	0	0	0	113	L433 E434 F446 P447 T569	L433-L437 HydrophobicContact CD1-CD1 4.24Å; L433-L437 HydrophobicContact CD1-CG 4.28Å; L433-L437 HydrophobicContact CD2-CD1 4.4Å; L433-L437 HydrophobicContact CG-CD1 3.93Å; L433-L437 HydrophobicContact CG-CG 4.35Å; L433-L437 PolarHBondContact O-N 2.94Å; E434-L437 PolarHBondContact O-N 2.74Å; L437-F446 CarbonylContact O-C 3.51Å; L437-P447 VanDerWaalsContact O-CA 3.29Å; L437-P447 WeakPolarHBondContact O-CA 3.31Å; L437-P447 VanDerWaalsContact O-N 3.12Å; L437-T569 HydrophobicContact CD2-CG2 4.42Å
438	S	94.7	Very high	94.2	Very high	40 Å²	40	83.7 Å²	83.7	28%	0.28	43%	0.426	S	S	.	.	S	Bend	trans	-112.6	49.2	-179.5	-68.4	0	0	0	0	111.9	E434 R445	E434-S438 WeakPolarHBondContact O-CA 3.31Å; E434-S438 WeakPolarHBondContact O-CB 3.16Å; E434-S438 PolarHBondContact O-N 3.35Å; E434-S438 WeakPolarHBondContact OE1-CB 3.39Å; E434-S438 PolarHBondContact OE1-OG 3.13Å; S438-R445 WeakPolarHBondContact O-CD 3.39Å; S438-R445 PolarHBondContact O-NH1 2.7Å
439	Y	95.8	Very high	94.1	Very high	115 Å²	115	80.2 Å²	80.2	45%	0.451	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-71.8	152	-178.6	-176.6	-98.3	0	0	0	113	R445 F446 L448	Y439-R445 WeakPolarHBondContact O-CA 3.41Å; Y439-R445 VanDerWaalsContact O-CD 3.3Å; Y439-R445 WeakPolarHBondContact O-CD 3.14Å; Y439-F446 WeakPolarHBondContact CA-O 3.32Å; Y439-F446 WeakPolarHBondContact CB-O 3.26Å; Y439-F446 PolarHBondContact N-O 2.95Å; Y439-F446 PolarHBondContact O-N 3Å; Y439-F446 VanDerWaalsContact O-N 3.1Å; Y439-L448 HydrophobicContact CD1-CB 4.41Å; Y439-L448 HydrophobicContact CD1-CD1 3.71Å; Y439-L448 HydrophobicContact CD2-CB 4.47Å; Y439-L448 HydrophobicContact CD2-CD1 4.25Å; Y439-L448 HydrophobicContact CD2-CD2 4.28Å; Y439-L448 HydrophobicContact CE1-CD1 3.75Å; Y439-L448 HydrophobicContact CE2-CD1 4.29Å; Y439-L448 HydrophobicContact CE2-CD2 4.49Å; Y439-L448 HydrophobicContact CG-CB 4.01Å; Y439-L448 HydrophobicContact CG-CD1 3.96Å; Y439-L448 HydrophobicContact CG-CG 4.39Å
440	G	90.7	Very high	94.1	Very high	28 Å²	28	82.3 Å²	82.3	29%	0.289	42%	0.418	S	S	.	.	S	Bend	trans	126.6	171	177.7	0	0	0	0	0	113.4	R445	G440-R445 PolarHBondContact O-NE 2.91Å; G440-R445 PolarHBondContact O-NH1 3.43Å; G440-R445 PolarHBondContact O-NH2 2.76Å
441	S	91.9	Very high	94.1	Very high	128 Å²	128	81.1 Å²	81.1	90%	0.895	42%	0.416	S	S	*	.	S	Bend	trans	-107.6	-16.2	176.4	-53.2	0	0	0	0	113.4
442	G	88.9	Confident	94.2	Very high	38 Å²	38	76.7 Å²	76.7	39%	0.392	40%	0.396	S	S	.	.	S	Bend	trans	-82.9	-176	-179.3	0	0	0	0	0	114	R445	G442-R445 PolarHBondContact O-NE 3.2Å
443	P	87.3	Confident	94.1	Very high	140 Å²	140	73.7 Å²	73.7	91%	0.909	39%	0.387	S	S	*	.	S	Bend	trans	-75	-25.9	174.8	30.7	-35	0	0	0	112.8
444	K	90.1	Very high	94.1	Very high	165 Å²	165	79.7 Å²	79.7	72%	0.717	41%	0.409	S	S	*	.	S	Bend	trans	-88.5	137	167.1	-65.4	-171.7	177.4	-173.5	0	109.1	F446	K444-F446 HydrophobicContact CB-CE2 4.06Å; K444-F446 HydrophobicContact CB-CZ 4.16Å
445	R	93	Very high	94.1	Very high	124 Å²	124	77 Å²	77	47%	0.468	40%	0.403	S	S	.	.			trans	-128.3	151.2	-179.2	-61.5	-57.7	-178.4	92.3	-3.7	110	S438 Y439 G440 G442	S438-R445 WeakPolarHBondContact O-CD 3.39Å; S438-R445 PolarHBondContact O-NH1 2.7Å; Y439-R445 WeakPolarHBondContact O-CA 3.41Å; Y439-R445 VanDerWaalsContact O-CD 3.3Å; Y439-R445 WeakPolarHBondContact O-CD 3.14Å; G440-R445 PolarHBondContact O-NE 2.91Å; G440-R445 PolarHBondContact O-NH1 3.43Å; G440-R445 PolarHBondContact O-NH2 2.76Å; G442-R445 PolarHBondContact O-NE 3.2Å
446	F	94.6	Very high	94	Very high	115 Å²	115	70.2 Å²	70.2	50%	0.504	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-146.6	158.4	-176.1	-57.2	-78	0	0	0	110.2	L437 Y439 K444 L448 V451	L437-F446 CarbonylContact O-C 3.51Å; Y439-F446 WeakPolarHBondContact CA-O 3.32Å; Y439-F446 WeakPolarHBondContact CB-O 3.26Å; Y439-F446 PolarHBondContact N-O 2.95Å; Y439-F446 PolarHBondContact O-N 3Å; Y439-F446 VanDerWaalsContact O-N 3.1Å; K444-F446 HydrophobicContact CB-CE2 4.06Å; K444-F446 HydrophobicContact CB-CZ 4.16Å; F446-L448 PolarHBondContact O-N 2.68Å; F446-V451 HydrophobicContact CB-CG2 3.84Å
447	P	96.8	Very high	93.8	Very high	42 Å²	42	73.2 Å²	73.2	27%	0.273	40%	0.395	S	S	.	.			trans	-63	135.8	174.3	-22.7	34.8	0	0	0	111.8	Y436 L437 A449 D450 V451	Y436-P447 CarbonylContact O-C 3.48Å; Y436-P447 WeakPolarHBondContact O-CA 3.39Å; L437-P447 VanDerWaalsContact O-CA 3.29Å; L437-P447 WeakPolarHBondContact O-CA 3.31Å; L437-P447 VanDerWaalsContact O-N 3.12Å; P447-A449 VanDerWaalsContact C-N 3.28Å; P447-A449 PolarHBondContact O-N 3.14Å; P447-D450 HydrophobicContact CB-CB 4.29Å; P447-D450 WeakPolarHBondContact CG-OD2 3.34Å; P447-D450 PolarHBondContact O-N 2.71Å; P447-V451 WeakPolarHBondContact O-CG2 3.49Å; P447-V451 PolarHBondContact O-N 3.34Å
448	L	97	Very high	93.6	Very high	29 Å²	29	74.4 Å²	74.4	15%	0.152	40%	0.397	C	S	.	.	H	α-helix	trans	-64.3	-33.5	-178.7	178.1	57.5	0	0	0	112.1	Y436 Y439 F446 V451 L452 V565	Y436-L448 HydrophobicContact CD1-CD2 4.3Å; Y436-L448 PolarHBondContact O-N 3.43Å; Y439-L448 HydrophobicContact CD1-CB 4.41Å; Y439-L448 HydrophobicContact CD1-CD1 3.71Å; Y439-L448 HydrophobicContact CD2-CB 4.47Å; Y439-L448 HydrophobicContact CD2-CD1 4.25Å; Y439-L448 HydrophobicContact CD2-CD2 4.28Å; Y439-L448 HydrophobicContact CE1-CD1 3.75Å; Y439-L448 HydrophobicContact CE2-CD1 4.29Å; Y439-L448 HydrophobicContact CE2-CD2 4.49Å; Y439-L448 HydrophobicContact CG-CB 4.01Å; Y439-L448 HydrophobicContact CG-CD1 3.96Å; Y439-L448 HydrophobicContact CG-CG 4.39Å; F446-L448 PolarHBondContact O-N 2.68Å; L448-V451 PolarHBondContact O-N 2.96Å; L448-L452 HydrophobicContact CD1-CD1 4.13Å; L448-L452 HydrophobicContact CD1-CG 4.09Å; L448-L452 HydrophobicContact CG-CD1 4.03Å; L448-L452 HydrophobicContact CG-CG 4.46Å; L448-L452 WeakPolarHBondContact O-CB 3Å; L448-L452 VanDerWaalsContact O-CG 3.23Å; L448-L452 WeakPolarHBondContact O-CG 3.42Å; L448-L452 PolarHBondContact O-N 3.11Å; L448-V565 HydrophobicContact CB-CG1 4.27Å; L448-V565 HydrophobicContact CD2-CG1 4.43Å; L448-V565 HydrophobicContact CD2-CG2 3.64Å; L448-V565 HydrophobicContact CG-CG1 4.29Å; L448-V565 HydrophobicContact CG-CG2 4.03Å
449	A	95.2	Very high	93.4	Very high	15 Å²	15	73 Å²	73	12%	0.124	39%	0.388	C	S	.	.	H	α-helix	trans	-60.6	-46.6	174.6	0	0	0	0	0	111.5	P447 L452 Q453 V565 E566	P447-A449 VanDerWaalsContact C-N 3.28Å; P447-A449 PolarHBondContact O-N 3.14Å; A449-L452 PolarHBondContact O-N 2.83Å; A449-Q453 PolarHBondContact O-N 3.35Å; A449-V565 HydrophobicContact CB-CG1 4.15Å; A449-E566 HydrophobicContact CB-CG 4.17Å
450	D	95.8	Very high	93.1	Very high	66 Å²	66	70.1 Å²	70.1	35%	0.353	38%	0.384	S	S	.	.	H	α-helix	trans	-64.8	-44.6	178.5	-55.5	4.2	0	0	0	111	P447 L452 Q453 Y454	P447-D450 HydrophobicContact CB-CB 4.29Å; P447-D450 WeakPolarHBondContact CG-OD2 3.34Å; P447-D450 PolarHBondContact O-N 2.71Å; D450-L452 VanDerWaalsContact C-N 3.31Å; D450-L452 PolarHBondContact O-N 2.93Å; D450-Q453 PolarHBondContact O-N 3.25Å; D450-Q453 VanDerWaalsContact O-N 3.13Å; D450-Y454 HydrophobicContact CB-CD2 4.29Å; D450-Y454 HydrophobicContact CB-CE2 3.74Å; D450-Y454 WeakPolarHBondContact O-CD2 3.17Å; D450-Y454 VanDerWaalsContact O-CG 3.31Å; D450-Y454 PolarHBondContact O-N 3.02Å
451	V	96.3	Very high	93	Very high	56 Å²	56	70.3 Å²	70.3	34%	0.339	38%	0.381	S	S	.	.	H	α-helix	trans	-60.6	-40.5	176.4	173	0	0	0	0	111.5	F446 P447 L448 A455	F446-V451 HydrophobicContact CB-CG2 3.84Å; P447-V451 WeakPolarHBondContact O-CG2 3.49Å; P447-V451 PolarHBondContact O-N 3.34Å; L448-V451 PolarHBondContact O-N 2.96Å; V451-A455 WeakPolarHBondContact O-CB 3.08Å; V451-A455 PolarHBondContact O-N 3.06Å; V451-A455 VanDerWaalsContact O-N 3.09Å
452	L	95.9	Very high	92.5	Very high	21 Å²	21	68.6 Å²	68.6	11%	0.11	36%	0.358	C	S	.	.	H	α-helix	trans	-67.7	-37.6	174.6	-71.5	167.9	0	0	0	111.9	L448 A449 D450 M456 L558 W561 R562 V565	L448-L452 HydrophobicContact CD1-CD1 4.13Å; L448-L452 HydrophobicContact CD1-CG 4.09Å; L448-L452 HydrophobicContact CG-CD1 4.03Å; L448-L452 HydrophobicContact CG-CG 4.46Å; L448-L452 WeakPolarHBondContact O-CB 3Å; L448-L452 VanDerWaalsContact O-CG 3.23Å; L448-L452 WeakPolarHBondContact O-CG 3.42Å; L448-L452 PolarHBondContact O-N 3.11Å; A449-L452 PolarHBondContact O-N 2.83Å; D450-L452 VanDerWaalsContact C-N 3.31Å; D450-L452 PolarHBondContact O-N 2.93Å; L452-M456 WeakPolarHBondContact O-CB 3.21Å; L452-M456 PolarHBondContact O-N 3.39Å; L452-M456 VanDerWaalsContact O-N 3.09Å; L452-L558 HydrophobicContact CD2-CD2 3.68Å; L452-W561 HydrophobicContact CD1-CB 4.04Å; L452-W561 HydrophobicContact CD2-CB 4.36Å; L452-W561 HydrophobicContact CD2-CE3 4.42Å; L452-R562 HydrophobicContact CB-CB 4.26Å; L452-R562 HydrophobicContact CD1-CB 4.44Å; L452-V565 HydrophobicContact CD1-CG2 4.15Å
453	Q	95.2	Very high	92.1	Very high	39 Å²	39	69.7 Å²	69.7	18%	0.182	36%	0.358	C	S	.	.	H	α-helix	trans	-65.9	-54.2	176.1	179.6	61.1	15	0	0	111.8	A449 D450 A455 M456 E457	A449-Q453 PolarHBondContact O-N 3.35Å; D450-Q453 PolarHBondContact O-N 3.25Å; D450-Q453 VanDerWaalsContact O-N 3.13Å; Q453-A455 PolarHBondContact O-N 3.2Å; Q453-M456 WeakPolarHBondContact O-CB 3.38Å; Q453-M456 PolarHBondContact O-N 3.06Å; Q453-M456 VanDerWaalsContact OE1-CE 3.23Å; Q453-E457 HydrophobicContact CG-CG 4.34Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.3Å; Q453-E457 PolarHBondContact NE2-OE1 2.88Å; Q453-E457 WeakPolarHBondContact O-CG 3.17Å; Q453-E457 PolarHBondContact O-N 3.38Å
454	Y	95.1	Very high	91.5	Very high	146 Å²	146	63.7 Å²	63.7	57%	0.573	32%	0.319	S	S	*	.	H	α-helix	trans	-62.9	-32.3	-179.5	-57.4	-43.6	0	0	0	112	D450 E457 F458	D450-Y454 HydrophobicContact CB-CD2 4.29Å; D450-Y454 HydrophobicContact CB-CE2 3.74Å; D450-Y454 WeakPolarHBondContact O-CD2 3.17Å; D450-Y454 VanDerWaalsContact O-CG 3.31Å; D450-Y454 PolarHBondContact O-N 3.02Å; Y454-E457 WeakPolarHBondContact CD1-OE2 3.31Å; Y454-F458 VanDerWaalsContact O-CB 3.26Å; Y454-F458 WeakPolarHBondContact O-CB 3.26Å; Y454-F458 PolarHBondContact O-N 3.03Å
455	A	95.1	Very high	90	Very high	42 Å²	42	60.5 Å²	60.5	35%	0.347	32%	0.316	S	S	.	.	H	α-helix	trans	-66.3	-37.4	172.1	0	0	0	0	0	112.7	V451 Q453 A459 L558	V451-A455 WeakPolarHBondContact O-CB 3.08Å; V451-A455 PolarHBondContact O-N 3.06Å; V451-A455 VanDerWaalsContact O-N 3.09Å; Q453-A455 PolarHBondContact O-N 3.2Å; A455-A459 WeakPolarHBondContact O-CB 3.25Å; A455-A459 PolarHBondContact O-N 2.88Å; A455-L558 HydrophobicContact CB-CD1 4.46Å
456	M	93.3	Very high	88.2	Confident	26 Å²	26	59.2 Å²	59.2	13%	0.128	32%	0.322	C	S	.	.	H	α-helix	trans	-73.8	-42.3	177	-170.9	174.2	64.4	0	0	111.9	L452 Q453 A459 S460 L558 H559	L452-M456 WeakPolarHBondContact O-CB 3.21Å; L452-M456 PolarHBondContact O-N 3.39Å; L452-M456 VanDerWaalsContact O-N 3.09Å; Q453-M456 WeakPolarHBondContact O-CB 3.38Å; Q453-M456 PolarHBondContact O-N 3.06Å; Q453-M456 VanDerWaalsContact OE1-CE 3.23Å; M456-A459 PolarHBondContact O-N 3.24Å; M456-S460 WeakPolarHBondContact O-CB 3.39Å; M456-S460 PolarHBondContact O-N 3.4Å; M456-S460 PolarHBondContact O-OG 2.8Å; M456-L558 HydrophobicContact CB-CB 4.11Å; M456-L558 HydrophobicContact CB-CD1 3.91Å; M456-L558 HydrophobicContact CG-CB 4.31Å; M456-L558 HydrophobicContact CG-CD1 4.39Å; M456-L558 HydrophobicContact SD-CB 4.26Å; M456-H559 HydrophobicContact SD-CB 3.93Å
457	E	91.6	Very high	86.1	Confident	97 Å²	97	57 Å²	57	45%	0.453	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-44.7	173.5	-72	173.5	175.4	0	0	111.3	Q453 Y454 S460 S461	Q453-E457 HydrophobicContact CG-CG 4.34Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.3Å; Q453-E457 PolarHBondContact NE2-OE1 2.88Å; Q453-E457 WeakPolarHBondContact O-CG 3.17Å; Q453-E457 PolarHBondContact O-N 3.38Å; Y454-E457 WeakPolarHBondContact CD1-OE2 3.31Å; E457-S460 PolarHBondContact O-N 3.44Å; E457-S461 PolarHBondContact O-N 3.3Å; E457-S461 VanDerWaalsContact O-N 3.09Å
458	F	92.5	Very high	83.9	Confident	91 Å²	91	60.3 Å²	60.3	40%	0.399	34%	0.342	S	S	.	.	H	α-helix	trans	-61	-49.1	172.7	176.3	-99.1	0	0	0	111.6	Y454 S460 S461 P541 A542 P543	Y454-F458 VanDerWaalsContact O-CB 3.26Å; Y454-F458 WeakPolarHBondContact O-CB 3.26Å; Y454-F458 PolarHBondContact O-N 3.03Å; F458-S460 VanDerWaalsContact C-N 3.28Å; F458-S460 PolarHBondContact O-N 3.04Å; F458-S461 WeakPolarHBondContact O-CB 3.19Å; F458-S461 PolarHBondContact O-N 2.79Å; F458-S461 VanDerWaalsContact O-N 3.16Å; F458-S461 PolarHBondContact O-OG 3.26Å; F458-P541 HydrophobicContact CD2-CB 4.36Å; F458-P541 HydrophobicContact CE2-CB 4.13Å; F458-A542 VanDerWaalsContact CE2-C 3.41Å; F458-P543 HydrophobicContact CE1-CB 4.31Å; F458-P543 HydrophobicContact CZ-CB 4.37Å; F458-P543 VanDerWaalsContact O-CD 3.23Å; F458-P543 WeakPolarHBondContact O-CD 3.28Å
459	A	90.3	Very high	81.5	Confident	10 Å²	10	65.3 Å²	65.3	8%	0.083	37%	0.374	C	S	.	.	H	α-helix	trans	-61	-36.1	179.9	0	0	0	0	0	113.3	A455 M456 S461 L551 L554	A455-A459 WeakPolarHBondContact O-CB 3.25Å; A455-A459 PolarHBondContact O-N 2.88Å; M456-A459 PolarHBondContact O-N 3.24Å; A459-S461 VanDerWaalsContact C-N 3.33Å; A459-L551 HydrophobicContact CB-CD1 4.47Å; A459-L551 WeakPolarHBondContact O-CD1 3.45Å; A459-L554 HydrophobicContact CB-CD1 4.43Å
460	S	88.2	Confident	79.2	Confident	54 Å²	54	73.9 Å²	73.9	38%	0.378	41%	0.411	S	S	.	.	H	α-helix	trans	-82.3	-8.9	179.9	-45.4	0	0	0	0	113.4	M456 E457 F458	M456-S460 WeakPolarHBondContact O-CB 3.39Å; M456-S460 PolarHBondContact O-N 3.4Å; M456-S460 PolarHBondContact O-OG 2.8Å; E457-S460 PolarHBondContact O-N 3.44Å; F458-S460 VanDerWaalsContact C-N 3.28Å; F458-S460 PolarHBondContact O-N 3.04Å
461	S	88	Confident	76.3	Confident	33 Å²	33	77.6 Å²	77.6	23%	0.231	43%	0.431	C	S	.	.	S	Bend	trans	-72	145.6	177.7	72	0	0	0	0	111.9	E457 F458 A459 A542 P543	E457-S461 PolarHBondContact O-N 3.3Å; E457-S461 VanDerWaalsContact O-N 3.09Å; F458-S461 WeakPolarHBondContact O-CB 3.19Å; F458-S461 PolarHBondContact O-N 2.79Å; F458-S461 VanDerWaalsContact O-N 3.16Å; F458-S461 PolarHBondContact O-OG 3.26Å; A459-S461 VanDerWaalsContact C-N 3.33Å; S461-A542 WeakPolarHBondContact OG-CA 3.43Å; S461-A542 WeakPolarHBondContact OG-CB 3.15Å; S461-P543 WeakPolarHBondContact OG-CD 3.1Å
462	K	82.7	Confident	73.4	Confident	91 Å²	91	82.2 Å²	82.2	40%	0.396	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-64.2	127.9	-174.5	-70.4	-177.4	-179.9	175.4	0	111.7	D536 P538 A542	K462-D536 VanDerWaalsContact CE-CG 3.44Å; K462-D536 WeakPolarHBondContact CE-OD1 3.38Å; K462-D536 WeakPolarHBondContact CE-OD2 3.26Å; K462-D536 PolarHBondContact NZ-O 2.8Å; K462-D536 IonicContact NZ-OD1 3.95Å; K462-D536 PolarHBondContact NZ-OD1 3.37Å; K462-D536 IonicContact NZ-OD2 3.06Å; K462-D536 PolarHBondContact NZ-OD2 2.99Å; K462-P538 HydrophobicContact CB-CB 3.75Å; K462-A542 WeakPolarHBondContact O-CB 3.29Å
463	P	79.9	Confident	70.2	Confident	61 Å²	61	88.1 Å²	88.1	40%	0.396	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-59.8	139.4	-174.3	-28.5	36	0	0	0	115.3	P543 I546	P463-P543 CarbonylContact C-O 3.55Å; P463-P543 WeakPolarHBondContact CA-O 3.22Å; P463-P543 WeakPolarHBondContact CB-O 3.03Å; P463-I546 HydrophobicContact CG-CG2 3.89Å
464	V	75.2	Confident	67.5	Low	15 Å²	15	92.1 Å²	92.1	9%	0.091	51%	0.511	C	S	.	.			trans	-120.9	118.7	176.1	-175.4	0	0	0	0	110.2	T466 P538 H540 A542 P543	V464-T466 WeakPolarHBondContact CG1-OG1 3.33Å; V464-P538 HydrophobicContact CG2-CB 3.84Å; V464-H540 WeakPolarHBondContact CG1-CE1 3.43Å; V464-A542 HydrophobicContact CB-CB 4.47Å; V464-A542 HydrophobicContact CG2-CB 3.95Å; V464-P543 PolarHBondContact N-O 2.88Å; V464-P543 VanDerWaalsContact N-O 3.08Å
465	C	58.8	Low	64.4	Low	98 Å²	98	90.6 Å²	90.6	66%	0.662	52%	0.522	S	S	*	.			trans	-86.6	-13.3	-175.9	-59.6	0	0	0	0	114.3
466	T	55.6	Low	61.3	Low	96 Å²	96	93.2 Å²	93.2	59%	0.589	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-93.9	134.6	-179.9	44.6	0	0	0	0	111.6	V464 H540	V464-T466 WeakPolarHBondContact CG1-OG1 3.33Å; T466-H540 PolarHBondContact O-CE1 3.42Å; T466-H540 PolarHBondContact O-NE2 3.3Å
467	S	49.2	Very low	58.7	Low	68 Å²	68	97.8 Å²	97.8	48%	0.476	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-92.8	150.1	160.3	-157.1	0	0	0	0	107.3	V469	S467-V469 PolarHBondContact O-N 3.01Å
468	P	51.1	Low	56.5	Low	112 Å²	112	99.3 Å²	99.3	73%	0.727	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-58.8	124.8	-178.4	21.9	-33.8	0	0	0	111.8
469	V	47.4	Very low	53.5	Low	134 Å²	134	98.8 Å²	98.8	81%	0.812	61%	0.614	S	S	*	*			trans	-141.1	75.6	169.4	-174.4	0	0	0	0	106.8	S467	S467-V469 PolarHBondContact O-N 3.01Å
470	E	46.9	Very low	50.5	Low	196 Å²	196	101.5 Å²	101.5	92%	0.916	64%	0.643	S	S	*	*			trans	-126.2	89.3	165.4	-73.6	-163.8	162.3	0	0	108.1
471	D	33.8	Very low	47.6	Very low	144 Å²	144	104.9 Å²	104.9	77%	0.77	66%	0.662	S	S	*	*			trans	-157.6	137.1	169.9	-129.5	-27.7	0	0	0	106.8
472	I	34.7	Very low	44.8	Very low	153 Å²	153	110.1 Å²	110.1	79%	0.785	69%	0.692	S	S	*	*			trans	70.6	128.7	172.6	-57.2	168.1	0	0	0	114.4
473	D	28.9	Very low	42.2	Very low	144 Å²	144	109.6 Å²	109.6	77%	0.77	71%	0.713	S	S	*	*			cis	-148.3	175.6	9.4	-142.9	-22.6	0	0	0	114.8
474	T	38.2	Very low	39.9	Very low	123 Å²	123	115.9 Å²	115.9	76%	0.755	74%	0.737	S	S	*	*			trans	-91.2	120.1	179.6	-51.4	0	0	0	0	112.5
475	S	30.6	Very low	37.5	Very low	114 Å²	114	123.4 Å²	123.4	80%	0.797	77%	0.771	S	S	*	*			trans	176.8	147.6	142.4	41.5	0	0	0	0	116.2
476	A	30.3	Very low	36	Very low	97 Å²	97	125.6 Å²	125.6	80%	0.802	78%	0.776	S	S	*	*			trans	70.7	152.4	159	0	0	0	0	0	118.9
477	P	38	Very low	35	Very low	122 Å²	122	126 Å²	126	79%	0.792	78%	0.78	S	S	*	*			trans	-131.5	-156.4	-141.8	47.7	-29.5	0	0	0	113.8
478	P	45.6	Very low	34.7	Very low	129 Å²	129	128.3 Å²	128.3	84%	0.838	79%	0.793	S	S	*	*				-101.1	153.4	-118.9	35.3	-18.5	0	0	0	114.9
479	G	29.2	Very low	34.2	Very low	81 Å²	81	128.1 Å²	128.1	84%	0.835	79%	0.792	S	S	*	*			trans	-170.7	126.9	171.2	0	0	0	0	0	117
480	G	27.9	Very low	33.3	Very low	67 Å²	67	126.5 Å²	126.5	69%	0.691	79%	0.787	S	S	*	*			trans	89.5	86.9	134.5	0	0	0	0	0	120
481	T	27.9	Very low	32.5	Very low	125 Å²	125	121.9 Å²	121.9	77%	0.767	78%	0.776	S	S	*	*				48	118.2	124.5	56.6	0	0	0	0	121.6
482	T	28.5	Very low	32.3	Very low	142 Å²	142	121.3 Å²	121.3	87%	0.871	78%	0.778	S	S	*	*			trans	56.8	130.3	135.6	60.9	0	0	0	0	121.3
483	G	28.9	Very low	32.2	Very low	81 Å²	81	118.2 Å²	118.2	84%	0.835	78%	0.775	S	S	*	*			trans	171.7	111	159.3	0	0	0	0	0	115.6
484	Q	30.5	Very low	32.4	Very low	193 Å²	193	119.8 Å²	119.8	90%	0.902	78%	0.778	S	S	*	*			trans	-65.1	159.2	-173.7	-62.8	164.1	-62.3	0	0	116.7
485	Q	25.7	Very low	32.9	Very low	172 Å²	172	118.3 Å²	118.3	80%	0.804	77%	0.77	S	S	*	*			trans	-26.3	152.2	136.9	-79.7	179	-19.2	0	0	114.7
486	L	27.6	Very low	32.8	Very low	145 Å²	145	119.9 Å²	119.9	76%	0.759	77%	0.77	S	S	*	*			cis	-156.5	173.7	12.4	-103.4	149.3	0	0	0	108.7
487	P	34.3	Very low	32.8	Very low	104 Å²	104	120.1 Å²	120.1	68%	0.675	77%	0.765	S	S	*	*			trans	-94.2	-165.5	-176	42.6	-38.8	0	0	0	112.3
488	P	42.9	Very low	32.6	Very low	117 Å²	117	120.8 Å²	120.8	76%	0.76	77%	0.767	S	S	*	*			cis	-123.7	-140.1	-8.8	41.4	-21	0	0	0	110.1
489	P	39.4	Very low	32.7	Very low	108 Å²	108	120 Å²	120	70%	0.701	76%	0.762	S	S	*	*			cis	-135.7	172.9	-20.1	40.4	-21.7	0	0	0	117.7
490	S	28.5	Very low	33.8	Very low	100 Å²	100	120.6 Å²	120.6	70%	0.699	75%	0.751	S	S	*	*			trans	20.9	121.5	148.3	66	0	0	0	0	125
491	S	30.2	Very low	33.9	Very low	99 Å²	99	124.9 Å²	124.9	69%	0.692	75%	0.753	S	S	*	*				69.6	112.8	127.5	67.7	0	0	0	0	124.3
492	T	30.6	Very low	34	Very low	131 Å²	131	126 Å²	126	80%	0.804	75%	0.75	S	S	*	*			trans	65.2	106	133.7	57	0	0	0	0	122.9
493	A	32.5	Very low	34.1	Very low	88 Å²	88	124.3 Å²	124.3	73%	0.727	74%	0.744	S	S	*	*				69.1	104.1	126.3	0	0	0	0	0	122.3
494	E	32.8	Very low	34.1	Very low	177 Å²	177	125.9 Å²	125.9	83%	0.827	74%	0.742	S	S	*	*				54	143	118.3	-59.5	-76.4	113.6	0	0	121.8
495	P	49.5	Very low	34	Very low	92 Å²	92	120 Å²	120	60%	0.597	73%	0.734	S	S	*	*			cis	-141.1	-168.4	-36.8	39.3	-20.4	0	0	0	114.5
496	D	28.3	Very low	35.1	Very low	148 Å²	148	117.9 Å²	117.9	79%	0.791	73%	0.734	S	S	*	*			trans	89	120.1	154.9	-71.8	-20.7	0	0	0	124.7
497	S	30.6	Very low	35.2	Very low	101 Å²	101	115.8 Å²	115.8	71%	0.706	74%	0.738	S	S	*	*			trans	81.3	79.7	135.6	-60.3	0	0	0	0	124.3
498	V	33.9	Very low	35	Very low	137 Å²	137	116.3 Å²	116.3	83%	0.83	74%	0.744	S	S	*	*				41.3	140.1	101	178.9	0	0	0	0	119.4
499	P	48.2	Very low	34.7	Very low	112 Å²	112	115.1 Å²	115.1	73%	0.727	74%	0.744	S	S	*	*			cis	-136.7	-135.4	-30.6	43	-20.7	0	0	0	110.3
500	P	50.7	Low	34.9	Very low	94 Å²	94	115.8 Å²	115.8	61%	0.61	75%	0.749	S	S	*	*			cis	-130	-164.7	-31.8	40.7	-22.6	0	0	0	114.5
501	Q	31.2	Very low	35.1	Very low	156 Å²	156	115.5 Å²	115.5	73%	0.729	75%	0.752	S	S	*	*			trans	73.8	147	155.5	-81.5	179.9	-61.4	0	0	118.7
502	E	29.7	Very low	35.2	Very low	148 Å²	148	116 Å²	116	69%	0.692	76%	0.762	S	S	*	*			cis	-164.7	166	-12.7	-148.3	167.6	-115.2	0	0	111.3
503	S	29.4	Very low	35.3	Very low	107 Å²	107	114.4 Å²	114.4	75%	0.748	76%	0.762	S	S	*	*			trans	67.4	158.4	158	79.8	0	0	0	0	118.5
504	S	30.1	Very low	35.7	Very low	115 Å²	115	116.1 Å²	116.1	80%	0.804	77%	0.766	S	S	*	*			cis	-171.3	153.8	-24.8	52	0	0	0	0	111.5
505	G	28.6	Very low	36.4	Very low	70 Å²	70	113.8 Å²	113.8	72%	0.722	77%	0.767	S	S	*	*			trans	110.8	157.5	143.4	0	0	0	0	0	118.1
506	P	48.8	Very low	35.6	Very low	126 Å²	126	114 Å²	114	82%	0.818	78%	0.776	S	S	*	*			trans	-142.2	-171.3	-140.9	42	-21.6	0	0	0	117.1
507	A	29.3	Very low	36.2	Very low	101 Å²	101	112 Å²	112	84%	0.835	78%	0.78	S	S	*	*			trans	80.1	153.2	163.9	0	0	0	0	0	116.4
508	S	30.8	Very low	36.7	Very low	116 Å²	116	116.3 Å²	116.3	81%	0.811	79%	0.789	S	S	*	*			cis	-146.1	160.3	13.8	55.3	0	0	0	0	114.4
509	A	35.3	Very low	37.2	Very low	92 Å²	92	118.8 Å²	118.8	76%	0.76	79%	0.791	S	S	*	*			trans	-116.9	151.8	161.4	0	0	0	0	0	109.7
510	P	45	Very low	36.9	Very low	122 Å²	122	122.9 Å²	122.9	79%	0.792	80%	0.801	S	S	*	*				-134.2	154.4	95.5	18.1	3.2	0	0	0	112.3
511	A	30.8	Very low	36.6	Very low	93 Å²	93	129.7 Å²	129.7	77%	0.769	81%	0.814	S	S	*	*			cis	94.4	90.1	39	0	0	0	0	0	115.2
512	A	34	Very low	37.6	Very low	109 Å²	109	128 Å²	128	90%	0.901	82%	0.815	S	S	*	*			trans	61.1	115.7	144.6	0	0	0	0	0	123.1
513	A	32	Very low	38.9	Very low	98 Å²	98	125.8 Å²	125.8	81%	0.81	81%	0.813	S	S	*	*			trans	-154.3	154.1	139.3	0	0	0	0	0	109.5
514	P	41.6	Very low	40.5	Very low	125 Å²	125	127.4 Å²	127.4	81%	0.812	82%	0.818	S	S	*	*			trans	-108.5	-165.1	-164.1	46.8	-39	0	0	0	113
515	P	45.6	Very low	42.2	Very low	128 Å²	128	127.5 Å²	127.5	83%	0.831	81%	0.805	S	S	*	*				-101.7	160.9	-113.6	34.6	-17.6	0	0	0	115.2
516	A	33.2	Very low	44.5	Very low	97 Å²	97	131.5 Å²	131.5	80%	0.802	80%	0.803	S	S	*	*			trans	-132.6	141.5	164.4	0	0	0	0	0	109.5
517	A	42.2	Very low	45.5	Very low	105 Å²	105	131.4 Å²	131.4	87%	0.868	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.2	135.6	-170.7	0	0	0	0	0	112.9
518	Q	39.9	Very low	47.6	Very low	191 Å²	191	136.3 Å²	136.3	89%	0.893	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-94.5	120.2	167.9	-74.7	-173.5	-28.2	0	0	110
519	Q	44.2	Very low	49.8	Very low	190 Å²	190	134.2 Å²	134.2	89%	0.888	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67.9	128.5	167.7	-64.7	166.4	-41.1	0	0	109.1	R521	Q519-R521 PolarHBondContact O-N 2.96Å
520	Q	41.8	Very low	51.2	Low	197 Å²	197	137.4 Å²	137.4	92%	0.921	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.5	123.7	168.7	-76	-176.6	-25.2	0	0	109.4
521	R	45.8	Very low	51.9	Low	237 Å²	237	135 Å²	135	89%	0.894	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-88.4	131.3	170.4	-83.1	-179	167.2	168.9	-4.5	109.8	Q519	Q519-R521 PolarHBondContact O-N 2.96Å
522	V	50.9	Low	53.3	Low	122 Å²	122	142 Å²	142	74%	0.739	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-59.1	137.4	165.2	-177.8	0	0	0	0	109.3	V524	V522-V524 PolarHBondContact O-N 3Å; V522-V524 VanDerWaalsContact O-N 3.1Å
523	P	57.6	Low	54.6	Low	101 Å²	101	142.7 Å²	142.7	66%	0.656	77%	0.767	S	S	*	*			trans	-64.8	109.7	177.3	-22.1	34	0	0	0	112	H525	P523-H525 PolarHBondContact O-N 3.43Å; P523-H525 VanDerWaalsContact O-N 3.08Å; P523-H525 PolarHBondContact O-ND1 2.88Å
524	V	63.7	Low	56.4	Low	140 Å²	140	143.1 Å²	143.1	85%	0.848	76%	0.761	S	S	*	*			trans	-66.8	108.9	174	-179.5	0	0	0	0	109	V522	V522-V524 PolarHBondContact O-N 3Å; V522-V524 VanDerWaalsContact O-N 3.1Å
525	H	64.9	Low	57.7	Low	117 Å²	117	141.9 Å²	141.9	54%	0.542	75%	0.753	S	S	.	*			trans	-70	148.2	173.5	-71.5	55.1	0	0	0	109.6	P523	P523-H525 PolarHBondContact O-N 3.43Å; P523-H525 VanDerWaalsContact O-N 3.08Å; P523-H525 PolarHBondContact O-ND1 2.88Å
526	K	76.9	Confident	58.7	Low	155 Å²	155	141.5 Å²	141.5	67%	0.674	74%	0.744	S	S	*	*			trans	-88.4	151.3	175.8	-64.6	-178.9	-179.8	178	0	109.2	F528 T529	K526-F528 PolarHBondContact O-N 3.26Å; K526-T529 HydrophobicContact CB-CG2 3.94Å; K526-T529 HydrophobicContact CD-CG2 4.47Å; K526-T529 PolarHBondContact N-OG1 3.13Å; K526-T529 PolarHBondContact O-N 3.07Å; K526-T529 PolarHBondContact O-OG1 2.81Å
527	P	71.1	Confident	60.4	Low	123 Å²	123	142.1 Å²	142.1	80%	0.799	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-11.2	-177.5	-28.1	35.9	0	0	0	116.6
528	F	72.8	Confident	61.6	Low	204 Å²	204	140.5 Å²	140.5	90%	0.895	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	21.4	-178.7	-51.1	-67.4	0	0	0	113.1	K526	K526-F528 PolarHBondContact O-N 3.26Å
529	T	76.7	Confident	62.8	Low	73 Å²	73	138.3 Å²	138.3	45%	0.448	71%	0.706	S	S	.	*			trans	-107.3	115.2	175	48.5	0	0	0	0	111.5	K526 S531	K526-T529 HydrophobicContact CB-CG2 3.94Å; K526-T529 HydrophobicContact CD-CG2 4.47Å; K526-T529 PolarHBondContact N-OG1 3.13Å; K526-T529 PolarHBondContact O-N 3.07Å; K526-T529 PolarHBondContact O-OG1 2.81Å; T529-S531 PolarHBondContact O-N 3.3Å
530	Q	64.9	Low	63.9	Low	158 Å²	158	134.5 Å²	134.5	74%	0.738	69%	0.688	S	S	*	*			trans	-68.2	126.3	172.2	-68.6	176.2	-15.3	0	0	110.7	L533	Q530-L533 HydrophobicContact CB-CG 4.34Å
531	S	58.5	Low	65.7	Low	71 Å²	71	130.1 Å²	130.1	50%	0.497	68%	0.676	S	S	.	*	S	Bend	trans	-86.8	148.7	173	59.9	0	0	0	0	111.4	T529 L533	T529-S531 PolarHBondContact O-N 3.3Å; S531-L533 PolarHBondContact O-N 2.81Å
532	R	62	Low	67.5	Low	242 Å²	242	119.5 Å²	119.5	91%	0.913	64%	0.639	S	S	*	*	S	Bend	trans	58.8	38.5	176.4	-44.4	-174.2	-163.2	-154.9	5.8	115.1
533	L	61.2	Low	69.2	Low	123 Å²	123	114.5 Å²	114.5	64%	0.644	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-55.3	132.1	161.6	-79.1	171	0	0	0	109.5	Q530 S531	Q530-L533 HydrophobicContact CB-CG 4.34Å; S531-L533 PolarHBondContact O-N 2.81Å
534	P	69.8	Low	70.3	Confident	106 Å²	106	116.6 Å²	116.6	69%	0.688	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-55.7	148.1	171.1	-25.2	34.9	0	0	0	111.1	D536	P534-D536 PolarHBondContact O-N 2.98Å
535	P	68.9	Low	71.3	Confident	99 Å²	99	117.4 Å²	117.4	64%	0.643	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-62.9	128.2	175.8	28.2	-34.3	0	0	0	109.6	L537	P535-L537 HydrophobicContact CB-CD1 4.3Å; P535-L537 HydrophobicContact CB-CG 4.18Å; P535-L537 HydrophobicContact CG-CD1 4.06Å; P535-L537 HydrophobicContact CG-CG 4.41Å; P535-L537 PolarHBondContact O-N 3.34Å
536	D	65.4	Low	72.4	Confident	120 Å²	120	114.1 Å²	114.1	64%	0.642	58%	0.584	S	S	*	*			trans	-74.5	65	-174.6	176.6	16.7	0	0	0	111.6	K462 P534	K462-D536 VanDerWaalsContact CE-CG 3.44Å; K462-D536 WeakPolarHBondContact CE-OD1 3.38Å; K462-D536 WeakPolarHBondContact CE-OD2 3.26Å; K462-D536 PolarHBondContact NZ-O 2.8Å; K462-D536 IonicContact NZ-OD1 3.95Å; K462-D536 PolarHBondContact NZ-OD1 3.37Å; K462-D536 IonicContact NZ-OD2 3.06Å; K462-D536 PolarHBondContact NZ-OD2 2.99Å; P534-D536 PolarHBondContact O-N 2.98Å
537	L	70.3	Confident	73.1	Confident	111 Å²	111	110.2 Å²	110.2	58%	0.581	57%	0.573	S	S	*	*			trans	-91	141.4	178.6	-65	172.6	0	0	0	110.1	P535 M539	P535-L537 HydrophobicContact CB-CD1 4.3Å; P535-L537 HydrophobicContact CB-CG 4.18Å; P535-L537 HydrophobicContact CG-CD1 4.06Å; P535-L537 HydrophobicContact CG-CG 4.41Å; P535-L537 PolarHBondContact O-N 3.34Å; L537-M539 PolarHBondContact O-N 3.34Å
538	P	65.8	Low	73.9	Confident	70 Å²	70	110.5 Å²	110.5	46%	0.455	56%	0.564	S	S	.	*			trans	-73.1	101.7	178.6	32.6	-35.7	0	0	0	110	K462 V464	K462-P538 HydrophobicContact CB-CB 3.75Å; V464-P538 HydrophobicContact CG2-CB 3.84Å
539	M	64.8	Low	74.8	Confident	145 Å²	145	108.2 Å²	108.2	71%	0.714	56%	0.556	S	S	*	*			trans	-107.5	158.5	-180	-68.1	-173.2	61.5	0	0	111.7	L537	L537-M539 PolarHBondContact O-N 3.34Å
540	H	68.3	Low	75.4	Confident	111 Å²	111	109.8 Å²	109.8	51%	0.514	56%	0.558	S	S	.	*	S	Bend	trans	-78.8	146.6	174.5	-67.8	-58.9	0	0	0	112	V464 T466	V464-H540 WeakPolarHBondContact CG1-CE1 3.43Å; T466-H540 PolarHBondContact O-CE1 3.42Å; T466-H540 PolarHBondContact O-NE2 3.3Å
541	P	78.9	Confident	76.7	Confident	105 Å²	105	104 Å²	104	68%	0.682	53%	0.532	S	S	*	.	S	Bend	cis	-86.7	137	-0.2	34.3	-33.5	0	0	0	113	F458	F458-P541 HydrophobicContact CD2-CB 4.36Å; F458-P541 HydrophobicContact CE2-CB 4.13Å
542	A	84.3	Confident	78.3	Confident	13 Å²	13	107.8 Å²	107.8	11%	0.107	54%	0.536	C	S	.	.			trans	-144.1	158.2	178.3	0	0	0	0	0	111	F458 S461 K462 V464	F458-A542 VanDerWaalsContact CE2-C 3.41Å; S461-A542 WeakPolarHBondContact OG-CA 3.43Å; S461-A542 WeakPolarHBondContact OG-CB 3.15Å; K462-A542 WeakPolarHBondContact O-CB 3.29Å; V464-A542 HydrophobicContact CB-CB 4.47Å; V464-A542 HydrophobicContact CG2-CB 3.95Å
543	P	85.6	Confident	79.9	Confident	17 Å²	17	100.8 Å²	100.8	11%	0.11	52%	0.52	C	S	.	.			trans	-64.9	152.2	173.9	27.3	-34.2	0	0	0	110.6	F458 S461 P463 V464 I546	F458-P543 HydrophobicContact CE1-CB 4.31Å; F458-P543 HydrophobicContact CZ-CB 4.37Å; F458-P543 VanDerWaalsContact O-CD 3.23Å; F458-P543 WeakPolarHBondContact O-CD 3.28Å; S461-P543 WeakPolarHBondContact OG-CD 3.1Å; P463-P543 CarbonylContact C-O 3.55Å; P463-P543 WeakPolarHBondContact CA-O 3.22Å; P463-P543 WeakPolarHBondContact CB-O 3.03Å; V464-P543 PolarHBondContact N-O 2.88Å; V464-P543 VanDerWaalsContact N-O 3.08Å; P543-I546 HydrophobicContact CG-CG2 4.41Å
544	R	82.4	Confident	81.4	Confident	146 Å²	146	98.5 Å²	98.5	55%	0.551	51%	0.507	S	S	*	.	S	Bend	trans	-79.5	-38.6	178.2	-67.8	-175.2	176.5	-177	-2.6	112.5
545	H	83.3	Confident	82.5	Confident	156 Å²	156	96.9 Å²	96.9	72%	0.722	49%	0.491	S	S	*	.			trans	-150.7	141.6	178.5	-34.9	100.8	0	0	0	108.3
546	I	88.5	Confident	83.6	Confident	48 Å²	48	94.3 Å²	94.3	25%	0.246	48%	0.483	C	S	.	.			trans	-157	141	172.7	-172.4	169.4	0	0	0	107.6	P463 P543 E550 L551 L554	P463-I546 HydrophobicContact CG-CG2 3.89Å; P543-I546 HydrophobicContact CG-CG2 4.41Å; I546-E550 HydrophobicContact CG1-CB 4.12Å; I546-L551 HydrophobicContact CD1-CB 3.91Å; I546-L551 HydrophobicContact CD1-CD1 4.11Å; I546-L551 HydrophobicContact CG1-CB 4.27Å; I546-L554 HydrophobicContact CD1-CD1 4.01Å
547	T	91.1	Very high	85	Confident	74 Å²	74	90.5 Å²	90.5	45%	0.454	47%	0.465	S	S	.	.			trans	-88.3	156.1	172.4	64.3	0	0	0	0	111.5	E549 E550 L551	T547-E549 PolarHBondContact O-N 3.36Å; T547-E550 VanDerWaalsContact CB-OE2 3.32Å; T547-E550 WeakPolarHBondContact CB-OE2 3.47Å; T547-E550 WeakPolarHBondContact CG2-OE2 3.35Å; T547-E550 PolarHBondContact N-OE2 2.7Å; T547-E550 PolarHBondContact O-N 2.84Å; T547-E550 WeakPolarHBondContact OG1-CB 3.21Å; T547-E550 WeakPolarHBondContact OG1-CG 3.49Å; T547-E550 PolarHBondContact OG1-N 2.88Å; T547-E550 PolarHBondContact OG1-OE2 2.97Å; T547-L551 PolarHBondContact O-N 3.14Å
548	E	87.8	Confident	86.2	Confident	128 Å²	128	86.1 Å²	86.1	60%	0.598	44%	0.442	S	S	*	.	H	α-helix	trans	-63.5	-29.1	178.1	-161	-174	172.3	0	0	112.3	R552	E548-R552 VanDerWaalsContact CD-NH2 3.32Å; E548-R552 WeakPolarHBondContact O-CD 3.16Å; E548-R552 WeakPolarHBondContact O-CG 3.48Å; E548-R552 PolarHBondContact O-N 3.17Å; E548-R552 VanDerWaalsContact O-N 3.14Å; E548-R552 IonicContact OE1-CZ 2.76Å; E548-R552 IonicContact OE1-NE 2.89Å; E548-R552 PolarHBondContact OE1-NE 3.01Å; E548-R552 IonicContact OE1-NH2 3.91Å; E548-R552 PolarHBondContact OE1-NH2 2.85Å; E548-R552 IonicContact OE2-NH2 2.85Å
549	E	91.4	Very high	87.6	Confident	156 Å²	156	88.2 Å²	88.2	73%	0.729	45%	0.445	S	S	*	.	H	α-helix	trans	-71.8	-43.4	175	-62.5	-173.9	170.1	0	0	111.7	T547 V553	T547-E549 PolarHBondContact O-N 3.36Å; E549-V553 VanDerWaalsContact O-CG2 3.32Å; E549-V553 WeakPolarHBondContact O-CG2 3.47Å; E549-V553 PolarHBondContact O-N 3.03Å; E549-V553 VanDerWaalsContact O-N 3.16Å
550	E	91.3	Very high	89.2	Confident	106 Å²	106	87 Å²	87	50%	0.495	43%	0.433	S	S	.	.	H	α-helix	trans	-63.2	-42.4	173.1	-72.3	163.4	137	0	0	112	I546 T547 V553 L554	I546-E550 HydrophobicContact CG1-CB 4.12Å; T547-E550 VanDerWaalsContact CB-OE2 3.32Å; T547-E550 WeakPolarHBondContact CB-OE2 3.47Å; T547-E550 WeakPolarHBondContact CG2-OE2 3.35Å; T547-E550 PolarHBondContact N-OE2 2.7Å; T547-E550 PolarHBondContact O-N 2.84Å; T547-E550 WeakPolarHBondContact OG1-CB 3.21Å; T547-E550 WeakPolarHBondContact OG1-CG 3.49Å; T547-E550 PolarHBondContact OG1-N 2.88Å; T547-E550 PolarHBondContact OG1-OE2 2.97Å; E550-V553 PolarHBondContact O-N 3.18Å; E550-L554 WeakPolarHBondContact O-CB 3.43Å; E550-L554 WeakPolarHBondContact O-CG 3.46Å; E550-L554 PolarHBondContact O-N 2.9Å
551	L	91.5	Very high	90.6	Very high	36 Å²	36	87 Å²	87	19%	0.188	43%	0.428	C	S	.	.	H	α-helix	trans	-60.3	-51	178.5	177.5	57.3	0	0	0	111.2	A459 I546 T547 V553 L554 E555	A459-L551 HydrophobicContact CB-CD1 4.47Å; A459-L551 WeakPolarHBondContact O-CD1 3.45Å; I546-L551 HydrophobicContact CD1-CB 3.91Å; I546-L551 HydrophobicContact CD1-CD1 4.11Å; I546-L551 HydrophobicContact CG1-CB 4.27Å; T547-L551 PolarHBondContact O-N 3.14Å; L551-V553 PolarHBondContact O-N 2.69Å; L551-L554 PolarHBondContact O-N 3Å; L551-E555 HydrophobicContact CD1-CG 3.88Å; L551-E555 HydrophobicContact CG-CG 4.3Å; L551-E555 WeakPolarHBondContact O-CG 3.11Å; L551-E555 PolarHBondContact O-N 2.66Å
552	R	92.3	Very high	91.4	Very high	152 Å²	152	85.4 Å²	85.4	57%	0.574	41%	0.409	S	S	*	.	H	α-helix	trans	-59.7	-33.9	177.7	-69.7	168.2	-177	-174.7	3.3	112.6	E548 G556	E548-R552 VanDerWaalsContact CD-NH2 3.32Å; E548-R552 WeakPolarHBondContact O-CD 3.16Å; E548-R552 WeakPolarHBondContact O-CG 3.48Å; E548-R552 PolarHBondContact O-N 3.17Å; E548-R552 VanDerWaalsContact O-N 3.14Å; E548-R552 IonicContact OE1-CZ 2.76Å; E548-R552 IonicContact OE1-NE 2.89Å; E548-R552 PolarHBondContact OE1-NE 3.01Å; E548-R552 IonicContact OE1-NH2 3.91Å; E548-R552 PolarHBondContact OE1-NH2 2.85Å; E548-R552 IonicContact OE2-NH2 2.85Å; R552-G556 PolarHBondContact O-N 3.45Å
553	V	95.1	Very high	92	Very high	95 Å²	95	86.8 Å²	86.8	58%	0.576	42%	0.418	S	S	*	.	H	α-helix	trans	-71.3	-40.4	174.6	169.2	0	0	0	0	111.5	E549 E550 L551 C557	E549-V553 VanDerWaalsContact O-CG2 3.32Å; E549-V553 WeakPolarHBondContact O-CG2 3.47Å; E549-V553 PolarHBondContact O-N 3.03Å; E549-V553 VanDerWaalsContact O-N 3.16Å; E550-V553 PolarHBondContact O-N 3.18Å; L551-V553 PolarHBondContact O-N 2.69Å; V553-C557 WeakPolarHBondContact O-CB 3.34Å; V553-C557 PolarHBondContact O-N 2.66Å; V553-C557 PolarHBondContact O-SG 2.94Å
554	L	93.5	Very high	92.5	Very high	74 Å²	74	90.2 Å²	90.2	39%	0.387	43%	0.432	S	S	.	.	H	α-helix	trans	-68	-48.3	176.8	-74.7	172.9	0	0	0	111.8	A459 I546 E550 L551 G556 C557 L558	A459-L554 HydrophobicContact CB-CD1 4.43Å; I546-L554 HydrophobicContact CD1-CD1 4.01Å; E550-L554 WeakPolarHBondContact O-CB 3.43Å; E550-L554 WeakPolarHBondContact O-CG 3.46Å; E550-L554 PolarHBondContact O-N 2.9Å; L551-L554 PolarHBondContact O-N 3Å; L554-G556 PolarHBondContact O-N 3.12Å; L554-C557 PolarHBondContact O-N 3.33Å; L554-L558 HydrophobicContact CB-CD1 4.43Å; L554-L558 VanDerWaalsContact O-CB 3.27Å; L554-L558 WeakPolarHBondContact O-CB 3.41Å; L554-L558 VanDerWaalsContact O-CG 3.25Å; L554-L558 WeakPolarHBondContact O-CG 3.38Å; L554-L558 PolarHBondContact O-N 3.48Å
555	E	91.6	Very high	93.2	Very high	72 Å²	72	84 Å²	84	34%	0.336	41%	0.41	S	S	.	.	H	α-helix	trans	-55.5	-51	173.6	-70.7	173.5	159.6	0	0	110.8	L551 C557 L558 H559	L551-E555 HydrophobicContact CD1-CG 3.88Å; L551-E555 HydrophobicContact CG-CG 4.3Å; L551-E555 WeakPolarHBondContact O-CG 3.11Å; L551-E555 PolarHBondContact O-N 2.66Å; E555-C557 VanDerWaalsContact C-N 3.3Å; E555-C557 PolarHBondContact O-N 2.87Å; E555-L558 PolarHBondContact O-N 3.32Å; E555-H559 WeakPolarHBondContact O-CB 3.44Å; E555-H559 PolarHBondContact O-N 3.37Å
556	G	92.6	Very high	93.9	Very high	46 Å²	46	79.4 Å²	79.4	47%	0.474	39%	0.389	S	S	.	.	H	α-helix	trans	-62.3	-31.8	179.5	0	0	0	0	0	114.3	R552 L554 R560	R552-G556 PolarHBondContact O-N 3.45Å; L554-G556 PolarHBondContact O-N 3.12Å; G556-R560 VanDerWaalsContact O-CB 3.3Å; G556-R560 WeakPolarHBondContact O-CB 3.41Å
557	C	95.8	Very high	94.3	Very high	39 Å²	39	81 Å²	81	26%	0.264	40%	0.399	S	S	.	.	H	α-helix	trans	-79.1	-52.4	174.6	-73	0	0	0	0	112.3	V553 L554 E555 R560 W561	V553-C557 WeakPolarHBondContact O-CB 3.34Å; V553-C557 PolarHBondContact O-N 2.66Å; V553-C557 PolarHBondContact O-SG 2.94Å; L554-C557 PolarHBondContact O-N 3.33Å; E555-C557 VanDerWaalsContact C-N 3.3Å; E555-C557 PolarHBondContact O-N 2.87Å; C557-R560 PolarHBondContact O-N 2.75Å; C557-W561 HydrophobicContact CB-CD2 4.48Å; C557-W561 HydrophobicContact CB-CE3 4.13Å; C557-W561 HydrophobicContact CB-CH2 3.95Å; C557-W561 HydrophobicContact CB-CZ2 4.32Å; C557-W561 HydrophobicContact CB-CZ3 3.86Å; C557-W561 WeakPolarHBondContact O-CB 3.32Å; C557-W561 VanDerWaalsContact O-CD2 3.31Å; C557-W561 VanDerWaalsContact O-CG 3.27Å; C557-W561 PolarHBondContact O-N 3.41Å
558	L	95.3	Very high	94.6	Very high	20 Å²	20	80.3 Å²	80.3	11%	0.105	39%	0.392	C	S	.	.	H	α-helix	trans	-65.6	-43.1	-175.5	-67.5	170.4	0	0	0	111.6	L452 A455 M456 L554 E555 W561 R562	L452-L558 HydrophobicContact CD2-CD2 3.68Å; A455-L558 HydrophobicContact CB-CD1 4.46Å; M456-L558 HydrophobicContact CB-CB 4.11Å; M456-L558 HydrophobicContact CB-CD1 3.91Å; M456-L558 HydrophobicContact CG-CB 4.31Å; M456-L558 HydrophobicContact CG-CD1 4.39Å; M456-L558 HydrophobicContact SD-CB 4.26Å; L554-L558 HydrophobicContact CB-CD1 4.43Å; L554-L558 VanDerWaalsContact O-CB 3.27Å; L554-L558 WeakPolarHBondContact O-CB 3.41Å; L554-L558 VanDerWaalsContact O-CG 3.25Å; L554-L558 WeakPolarHBondContact O-CG 3.38Å; L554-L558 PolarHBondContact O-N 3.48Å; E555-L558 PolarHBondContact O-N 3.32Å; L558-W561 HydrophobicContact CD2-CE3 4.2Å; L558-W561 HydrophobicContact CD2-CZ3 4.39Å; L558-W561 PolarHBondContact O-N 2.82Å; L558-R562 VanDerWaalsContact O-CB 3.3Å; L558-R562 WeakPolarHBondContact O-CB 3.26Å; L558-R562 PolarHBondContact O-N 2.56Å
559	H	94.8	Very high	95	Very high	113 Å²	113	75.2 Å²	75.2	52%	0.523	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-45.7	176.7	-171.4	76.2	0	0	0	111.4	M456 E555 R562 S563	M456-H559 HydrophobicContact SD-CB 3.93Å; E555-H559 WeakPolarHBondContact O-CB 3.44Å; E555-H559 PolarHBondContact O-N 3.37Å; H559-R562 PolarHBondContact O-N 3.42Å; H559-S563 PolarHBondContact O-N 2.86Å; H559-S563 PolarHBondContact O-OG 2.75Å
560	R	97.3	Very high	95.2	Very high	119 Å²	119	75 Å²	75	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-61.5	-48.1	176.4	-178.6	178.1	64.4	86	0.8	111.7	G556 C557 R562 S563 E564	G556-R560 VanDerWaalsContact O-CB 3.3Å; G556-R560 WeakPolarHBondContact O-CB 3.41Å; C557-R560 PolarHBondContact O-N 2.75Å; R560-R562 VanDerWaalsContact C-N 3.31Å; R560-R562 PolarHBondContact O-N 3.18Å; R560-S563 PolarHBondContact O-N 2.77Å; R560-E564 WeakPolarHBondContact CD-OE1 3.43Å; R560-E564 HydrophobicContact CG-CG 4.41Å; R560-E564 VanDerWaalsContact CG-OE1 3.25Å; R560-E564 WeakPolarHBondContact CG-OE1 3.47Å; R560-E564 IonicContact CZ-OE1 3.73Å; R560-E564 IonicContact NE-OE1 2.79Å; R560-E564 VanDerWaalsContact NH1-CD 3.26Å; R560-E564 IonicContact NH1-OE1 2.64Å; R560-E564 PolarHBondContact NH1-OE1 2.93Å; R560-E564 IonicContact NH1-OE2 2.9Å; R560-E564 PolarHBondContact NH1-OE2 3.18Å; R560-E564 WeakPolarHBondContact O-CB 3.14Å; R560-E564 WeakPolarHBondContact O-CG 3.5Å; R560-E564 PolarHBondContact O-N 2.66Å
561	W	97.8	Very high	95.5	Very high	112 Å²	112	74.8 Å²	74.8	42%	0.424	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-36.7	177.6	-68.8	-34.3	0	0	0	112.3	L452 C557 L558 E564 V565	L452-W561 HydrophobicContact CD1-CB 4.04Å; L452-W561 HydrophobicContact CD2-CB 4.36Å; L452-W561 HydrophobicContact CD2-CE3 4.42Å; C557-W561 HydrophobicContact CB-CD2 4.48Å; C557-W561 HydrophobicContact CB-CE3 4.13Å; C557-W561 HydrophobicContact CB-CH2 3.95Å; C557-W561 HydrophobicContact CB-CZ2 4.32Å; C557-W561 HydrophobicContact CB-CZ3 3.86Å; C557-W561 WeakPolarHBondContact O-CB 3.32Å; C557-W561 VanDerWaalsContact O-CD2 3.31Å; C557-W561 VanDerWaalsContact O-CG 3.27Å; C557-W561 PolarHBondContact O-N 3.41Å; L558-W561 HydrophobicContact CD2-CE3 4.2Å; L558-W561 HydrophobicContact CD2-CZ3 4.39Å; L558-W561 PolarHBondContact O-N 2.82Å; W561-E564 PolarHBondContact O-N 2.9Å; W561-V565 WeakPolarHBondContact O-CB 3.48Å; W561-V565 VanDerWaalsContact O-CG2 3.29Å; W561-V565 WeakPolarHBondContact O-CG2 3.36Å; W561-V565 PolarHBondContact O-N 3.39Å
562	R	96.5	Very high	95.8	Very high	71 Å²	71	73.5 Å²	73.5	27%	0.268	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-49.9	173.9	-177.2	-177.2	166	178.7	0.2	110.4	L452 L558 H559 R560 E564 V565 E566	L452-R562 HydrophobicContact CB-CB 4.26Å; L452-R562 HydrophobicContact CD1-CB 4.44Å; L558-R562 VanDerWaalsContact O-CB 3.3Å; L558-R562 WeakPolarHBondContact O-CB 3.26Å; L558-R562 PolarHBondContact O-N 2.56Å; H559-R562 PolarHBondContact O-N 3.42Å; R560-R562 VanDerWaalsContact C-N 3.31Å; R560-R562 PolarHBondContact O-N 3.18Å; R562-E564 PolarHBondContact O-N 2.8Å; R562-V565 PolarHBondContact O-N 2.99Å; R562-E566 HydrophobicContact CG-CG 4.38Å; R562-E566 IonicContact CZ-OE1 2.69Å; R562-E566 IonicContact NE-OE1 2.96Å; R562-E566 PolarHBondContact NE-OE1 2.77Å; R562-E566 IonicContact NE-OE2 2.81Å; R562-E566 IonicContact NH2-OE1 3.5Å; R562-E566 PolarHBondContact NH2-OE1 2.97Å; R562-E566 WeakPolarHBondContact O-CB 3.47Å; R562-E566 WeakPolarHBondContact O-CG 3.3Å; R562-E566 PolarHBondContact O-N 3.06Å
563	S	96	Very high	96	Very high	42 Å²	42	70.6 Å²	70.6	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-63.8	-37.1	176.9	-59.6	0	0	0	0	113.2	H559 R560 N567	H559-S563 PolarHBondContact O-N 2.86Å; H559-S563 PolarHBondContact O-OG 2.75Å; R560-S563 PolarHBondContact O-N 2.77Å; S563-N567 WeakPolarHBondContact O-CB 3.01Å; S563-N567 VanDerWaalsContact O-CG 3.23Å; S563-N567 PolarHBondContact O-N 2.99Å; S563-N567 PolarHBondContact O-ND2 2.95Å
564	E	97.4	Very high	96.1	Very high	90 Å²	90	67.2 Å²	67.2	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-46	173.4	-75.7	168.3	-175.4	0	0	110.9	R560 W561 R562 N567 D568	R560-E564 WeakPolarHBondContact CD-OE1 3.43Å; R560-E564 HydrophobicContact CG-CG 4.41Å; R560-E564 VanDerWaalsContact CG-OE1 3.25Å; R560-E564 WeakPolarHBondContact CG-OE1 3.47Å; R560-E564 IonicContact CZ-OE1 3.73Å; R560-E564 IonicContact NE-OE1 2.79Å; R560-E564 VanDerWaalsContact NH1-CD 3.26Å; R560-E564 IonicContact NH1-OE1 2.64Å; R560-E564 PolarHBondContact NH1-OE1 2.93Å; R560-E564 IonicContact NH1-OE2 2.9Å; R560-E564 PolarHBondContact NH1-OE2 3.18Å; R560-E564 WeakPolarHBondContact O-CB 3.14Å; R560-E564 WeakPolarHBondContact O-CG 3.5Å; R560-E564 PolarHBondContact O-N 2.66Å; W561-E564 PolarHBondContact O-N 2.9Å; R562-E564 PolarHBondContact O-N 2.8Å; E564-N567 PolarHBondContact O-N 3.15Å; E564-D568 WeakPolarHBondContact O-CB 3.49Å; E564-D568 PolarHBondContact O-N 3.42Å
565	V	97.3	Very high	96.3	Very high	15 Å²	15	65.2 Å²	65.2	9%	0.091	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-42.7	176.8	162.9	0	0	0	0	112.9	Y436 L448 A449 L452 W561 R562 N567 D568 T569	Y436-V565 HydrophobicContact CD1-CB 4.49Å; Y436-V565 HydrophobicContact CD1-CG1 3.98Å; Y436-V565 HydrophobicContact CD1-CG2 4.2Å; Y436-V565 HydrophobicContact CE1-CG2 4.34Å; L448-V565 HydrophobicContact CB-CG1 4.27Å; L448-V565 HydrophobicContact CD2-CG1 4.43Å; L448-V565 HydrophobicContact CD2-CG2 3.64Å; L448-V565 HydrophobicContact CG-CG1 4.29Å; L448-V565 HydrophobicContact CG-CG2 4.03Å; A449-V565 HydrophobicContact CB-CG1 4.15Å; L452-V565 HydrophobicContact CD1-CG2 4.15Å; W561-V565 WeakPolarHBondContact O-CB 3.48Å; W561-V565 VanDerWaalsContact O-CG2 3.29Å; W561-V565 WeakPolarHBondContact O-CG2 3.36Å; W561-V565 PolarHBondContact O-N 3.39Å; R562-V565 PolarHBondContact O-N 2.99Å; V565-N567 VanDerWaalsContact C-N 3.31Å; V565-N567 PolarHBondContact O-N 3.35Å; V565-D568 PolarHBondContact O-N 3.46Å; V565-T569 VanDerWaalsContact O-CB 3.26Å; V565-T569 WeakPolarHBondContact O-CB 3.46Å; V565-T569 PolarHBondContact O-N 3.3Å; V565-T569 PolarHBondContact O-OG1 3.44Å
566	E	96.2	Very high	96.6	Very high	60 Å²	60	62.6 Å²	62.6	28%	0.28	32%	0.316	S	S	.	.	H	α-helix	trans	-67.4	-31.3	178.6	-74.7	176.1	162.4	0	0	112.5	A449 R562 R570	A449-E566 HydrophobicContact CB-CG 4.17Å; R562-E566 HydrophobicContact CG-CG 4.38Å; R562-E566 IonicContact CZ-OE1 2.69Å; R562-E566 IonicContact NE-OE1 2.96Å; R562-E566 PolarHBondContact NE-OE1 2.77Å; R562-E566 IonicContact NE-OE2 2.81Å; R562-E566 IonicContact NH2-OE1 3.5Å; R562-E566 PolarHBondContact NH2-OE1 2.97Å; R562-E566 WeakPolarHBondContact O-CB 3.47Å; R562-E566 WeakPolarHBondContact O-CG 3.3Å; R562-E566 PolarHBondContact O-N 3.06Å; E566-R570 VanDerWaalsContact O-CB 3.28Å; E566-R570 WeakPolarHBondContact O-CB 3.28Å; E566-R570 PolarHBondContact O-N 3.34Å
567	N	97.1	Very high	96.8	Very high	82 Å²	82	64.8 Å²	64.8	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-75.5	-48.4	172.8	-70.8	-35.3	0	0	0	111.4	S563 E564 V565 T569 R570 D571	S563-N567 WeakPolarHBondContact O-CB 3.01Å; S563-N567 VanDerWaalsContact O-CG 3.23Å; S563-N567 PolarHBondContact O-N 2.99Å; S563-N567 PolarHBondContact O-ND2 2.95Å; E564-N567 PolarHBondContact O-N 3.15Å; V565-N567 VanDerWaalsContact C-N 3.31Å; V565-N567 PolarHBondContact O-N 3.35Å; N567-T569 VanDerWaalsContact C-N 3.28Å; N567-T569 PolarHBondContact O-N 2.7Å; N567-R570 PolarHBondContact O-N 3.4Å; N567-R570 VanDerWaalsContact O-N 3.14Å; N567-D571 PolarHBondContact O-N 3.31Å
568	D	97.3	Very high	96.8	Very high	58 Å²	58	69.8 Å²	69.8	31%	0.31	33%	0.333	S	S	.	.	H	α-helix	trans	-53.6	-46.1	174.9	-112	-12.4	0	0	0	111.2	R432 Y436 E564 V565 R570 D571 L572	R432-D568 IonicContact CZ-OD1 3.89Å; R432-D568 IonicContact NH2-OD1 2.83Å; R432-D568 PolarHBondContact NH2-OD1 2.91Å; R432-D568 IonicContact NH2-OD2 2.72Å; R432-D568 PolarHBondContact NH2-OD2 2.96Å; Y436-D568 HydrophobicContact CE1-CB 3.96Å; Y436-D568 PolarHBondContact OH-OD2 3.01Å; E564-D568 WeakPolarHBondContact O-CB 3.49Å; E564-D568 PolarHBondContact O-N 3.42Å; V565-D568 PolarHBondContact O-N 3.46Å; D568-R570 PolarHBondContact O-N 3.09Å; D568-D571 PolarHBondContact O-N 2.7Å; D568-L572 WeakPolarHBondContact O-CB 3.23Å; D568-L572 WeakPolarHBondContact O-CD1 3.34Å; D568-L572 WeakPolarHBondContact O-CG 3.27Å; D568-L572 PolarHBondContact O-N 2.94Å
569	T	96.5	Very high	96.9	Very high	21 Å²	21	69.6 Å²	69.6	13%	0.129	33%	0.332	C	S	.	.	H	α-helix	trans	-60.6	-45.7	179	-59	0	0	0	0	111.3	L433 L437 V565 N567 L572 Q573	L433-T569 HydrophobicContact CD1-CG2 3.73Å; L437-T569 HydrophobicContact CD2-CG2 4.42Å; V565-T569 VanDerWaalsContact O-CB 3.26Å; V565-T569 WeakPolarHBondContact O-CB 3.46Å; V565-T569 PolarHBondContact O-N 3.3Å; V565-T569 PolarHBondContact O-OG1 3.44Å; N567-T569 VanDerWaalsContact C-N 3.28Å; N567-T569 PolarHBondContact O-N 2.7Å; T569-L572 PolarHBondContact O-N 2.76Å; T569-Q573 WeakPolarHBondContact O-CB 3.42Å; T569-Q573 VanDerWaalsContact O-CG 3.27Å; T569-Q573 WeakPolarHBondContact O-CG 3.47Å; T569-Q573 PolarHBondContact O-N 2.83Å
570	R	97.1	Very high	96.9	Very high	151 Å²	151	67.6 Å²	67.6	57%	0.57	32%	0.323	S	S	*	.	H	α-helix	trans	-67.5	-40.9	-179.9	-169.7	-170.3	-46.1	-151.1	2.7	112.5	E566 N567 D568 Q573 G574	E566-R570 VanDerWaalsContact O-CB 3.28Å; E566-R570 WeakPolarHBondContact O-CB 3.28Å; E566-R570 PolarHBondContact O-N 3.34Å; N567-R570 PolarHBondContact O-N 3.4Å; N567-R570 VanDerWaalsContact O-N 3.14Å; D568-R570 PolarHBondContact O-N 3.09Å; R570-Q573 PolarHBondContact O-N 3.37Å; R570-G574 PolarHBondContact O-N 3.1Å
571	D	97.3	Very high	96.7	Very high	103 Å²	103	69.9 Å²	69.9	55%	0.551	33%	0.331	S	S	*	.	H	α-helix	trans	-71.6	-33.6	178.1	-81.7	-20.8	0	0	0	112.3	N567 D568 S575	N567-D571 PolarHBondContact O-N 3.31Å; D568-D571 PolarHBondContact O-N 2.7Å; D571-S575 VanDerWaalsContact O-CB 3.28Å; D571-S575 WeakPolarHBondContact O-CB 3.32Å; D571-S575 PolarHBondContact O-N 3.28Å; D571-S575 PolarHBondContact O-OG 2.94Å
572	L	96.9	Very high	96.7	Very high	8 Å²	8	67.9 Å²	67.9	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-65.8	-49.9	170.5	-71.8	167.9	0	0	0	111.3	L429 R432 L433 Y436 D568 T569 G574 S575 I576	L429-L572 HydrophobicContact CD2-CD2 3.85Å; R432-L572 HydrophobicContact CB-CD2 4.44Å; R432-L572 HydrophobicContact CG-CD1 3.84Å; R432-L572 HydrophobicContact CG-CD2 4.2Å; L433-L572 HydrophobicContact CB-CB 4.42Å; L433-L572 HydrophobicContact CB-CD1 4.44Å; L433-L572 HydrophobicContact CD1-CB 4.33Å; Y436-L572 HydrophobicContact CD2-CD1 4.1Å; Y436-L572 HydrophobicContact CE2-CD1 3.69Å; D568-L572 WeakPolarHBondContact O-CB 3.23Å; D568-L572 WeakPolarHBondContact O-CD1 3.34Å; D568-L572 WeakPolarHBondContact O-CG 3.27Å; D568-L572 PolarHBondContact O-N 2.94Å; T569-L572 PolarHBondContact O-N 2.76Å; L572-G574 PolarHBondContact O-N 3.12Å; L572-S575 PolarHBondContact O-N 3Å; L572-S575 VanDerWaalsContact O-N 3.16Å; L572-I576 WeakPolarHBondContact O-CG1 3.29Å; L572-I576 PolarHBondContact O-N 3.25Å
573	Q	97.1	Very high	96.5	Very high	91 Å²	91	66 Å²	66	43%	0.425	33%	0.327	S	S	.	.	H	α-helix	trans	-56.5	-51.1	174.9	-75	170.5	-15.1	0	0	111.5	L433 T569 R570 S575 I576 T577	L433-Q573 HydrophobicContact CD1-CG 4.14Å; L433-Q573 HydrophobicContact CD2-CG 3.84Å; T569-Q573 WeakPolarHBondContact O-CB 3.42Å; T569-Q573 VanDerWaalsContact O-CG 3.27Å; T569-Q573 WeakPolarHBondContact O-CG 3.47Å; T569-Q573 PolarHBondContact O-N 2.83Å; R570-Q573 PolarHBondContact O-N 3.37Å; Q573-S575 PolarHBondContact O-N 2.86Å; Q573-I576 WeakPolarHBondContact O-CB 3.26Å; Q573-I576 PolarHBondContact O-N 3.29Å; Q573-I576 VanDerWaalsContact O-N 3.14Å; Q573-T577 PolarHBondContact O-N 3.15Å; Q573-T577 PolarHBondContact O-OG1 2.69Å
574	G	97.4	Very high	96.3	Very high	25 Å²	25	70.3 Å²	70.3	26%	0.258	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-29.9	177.3	0	0	0	0	0	113.6	R570 L572 R578	R570-G574 PolarHBondContact O-N 3.1Å; L572-G574 PolarHBondContact O-N 3.12Å; G574-R578 VanDerWaalsContact O-CG 3.28Å; G574-R578 WeakPolarHBondContact O-CG 3.36Å; G574-R578 VanDerWaalsContact O-CZ 3.29Å; G574-R578 PolarHBondContact O-N 2.93Å; G574-R578 PolarHBondContact O-NE 3.47Å
575	S	97.8	Very high	96.1	Very high	32 Å²	32	70 Å²	70	22%	0.224	34%	0.343	C	S	.	.	H	α-helix	trans	-73.9	-41.3	173.7	-60.4	0	0	0	0	112.4	D571 L572 Q573 R578 I579	D571-S575 VanDerWaalsContact O-CB 3.28Å; D571-S575 WeakPolarHBondContact O-CB 3.32Å; D571-S575 PolarHBondContact O-N 3.28Å; D571-S575 PolarHBondContact O-OG 2.94Å; L572-S575 PolarHBondContact O-N 3Å; L572-S575 VanDerWaalsContact O-N 3.16Å; Q573-S575 PolarHBondContact O-N 2.86Å; S575-R578 PolarHBondContact O-N 2.81Å; S575-R578 PolarHBondContact OG-NH2 3.1Å; S575-I579 WeakPolarHBondContact O-CG1 3.37Å; S575-I579 PolarHBondContact O-N 3.07Å
576	I	96.8	Very high	95.9	Very high	17 Å²	17	70.6 Å²	70.6	9%	0.087	35%	0.345	C	S	.	.	H	α-helix	trans	-59.3	-49.7	173.7	-73.8	162.5	0	0	0	110.5	L426 L429 Q430 L433 L572 Q573 R578 I579 H580	L426-I576 HydrophobicContact CD1-CB 4.25Å; L426-I576 HydrophobicContact CD1-CG1 4.1Å; L426-I576 HydrophobicContact CD1-CG2 3.82Å; L429-I576 HydrophobicContact CB-CD1 4.2Å; L429-I576 HydrophobicContact CB-CG1 3.86Å; L429-I576 HydrophobicContact CD1-CG1 4.49Å; Q430-I576 HydrophobicContact CG-CD1 4.04Å; Q430-I576 HydrophobicContact CG-CG1 4.42Å; L433-I576 HydrophobicContact CB-CD1 4.37Å; L433-I576 HydrophobicContact CD2-CD1 3.74Å; L572-I576 WeakPolarHBondContact O-CG1 3.29Å; L572-I576 PolarHBondContact O-N 3.25Å; Q573-I576 WeakPolarHBondContact O-CB 3.26Å; Q573-I576 PolarHBondContact O-N 3.29Å; Q573-I576 VanDerWaalsContact O-N 3.14Å; I576-R578 VanDerWaalsContact C-N 3.33Å; I576-R578 PolarHBondContact O-N 3.29Å; I576-I579 PolarHBondContact O-N 3.09Å; I576-I579 VanDerWaalsContact O-N 3.12Å; I576-H580 PolarHBondContact O-N 3.42Å
577	T	96.8	Very high	95.8	Very high	91 Å²	91	68.5 Å²	68.5	56%	0.558	34%	0.335	S	S	*	.	H	α-helix	trans	-61	-38.5	177.4	-53.1	0	0	0	0	112.5	Q573 R581	Q573-T577 PolarHBondContact O-N 3.15Å; Q573-T577 PolarHBondContact O-OG1 2.69Å; T577-R581 WeakPolarHBondContact O-CB 3.37Å; T577-R581 PolarHBondContact O-N 2.88Å; T577-R581 VanDerWaalsContact O-N 3.11Å
578	R	96.8	Very high	95.6	Very high	144 Å²	144	68.1 Å²	68.1	54%	0.543	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-41.4	173.7	-78.7	-178.4	-65.9	-103.9	5.3	112.2	G574 S575 I576 T582	G574-R578 VanDerWaalsContact O-CG 3.28Å; G574-R578 WeakPolarHBondContact O-CG 3.36Å; G574-R578 VanDerWaalsContact O-CZ 3.29Å; G574-R578 PolarHBondContact O-N 2.93Å; G574-R578 PolarHBondContact O-NE 3.47Å; S575-R578 PolarHBondContact O-N 2.81Å; S575-R578 PolarHBondContact OG-NH2 3.1Å; I576-R578 VanDerWaalsContact C-N 3.33Å; I576-R578 PolarHBondContact O-N 3.29Å; R578-T582 WeakPolarHBondContact O-CB 3.28Å; R578-T582 PolarHBondContact O-N 3.23Å; R578-T582 PolarHBondContact O-OG1 3.35Å
579	I	96.6	Very high	95.4	Very high	16 Å²	16	68.9 Å²	68.9	8%	0.082	34%	0.34	C	S	.	.	H	α-helix	trans	-70.1	-45.4	179.7	-68.4	171	0	0	0	111.3	L422 L426 L429 S575 I576 R581 T582 I583	L422-I579 HydrophobicContact CB-CG2 4.07Å; L422-I579 HydrophobicContact CD2-CG2 4.27Å; L426-I579 HydrophobicContact CB-CG2 4.07Å; L429-I579 HydrophobicContact CD1-CD1 3.65Å; S575-I579 WeakPolarHBondContact O-CG1 3.37Å; S575-I579 PolarHBondContact O-N 3.07Å; I576-I579 PolarHBondContact O-N 3.09Å; I576-I579 VanDerWaalsContact O-N 3.12Å; I579-R581 PolarHBondContact O-N 2.94Å; I579-T582 WeakPolarHBondContact O-CB 3.43Å; I579-T582 PolarHBondContact O-N 2.7Å; I579-T582 VanDerWaalsContact O-N 3.09Å; I579-I583 HydrophobicContact CG2-CD1 3.93Å; I579-I583 HydrophobicContact CG2-CG1 4.49Å; I579-I583 WeakPolarHBondContact O-CG1 3.43Å; I579-I583 PolarHBondContact O-N 2.96Å
580	H	94.4	Very high	95.1	Very high	71 Å²	71	76.8 Å²	76.8	33%	0.329	37%	0.372	S	S	.	.	H	α-helix	trans	-51.8	-54.2	173.1	-71.7	178.2	0	0	0	111.1	L426 I576 T582 I583 E584	L426-H580 WeakPolarHBondContact CD1-NE2 3.38Å; I576-H580 PolarHBondContact O-N 3.42Å; H580-T582 PolarHBondContact O-N 3.44Å; H580-I583 WeakPolarHBondContact O-CB 3.46Å; H580-I583 PolarHBondContact O-N 3.45Å; H580-E584 WeakPolarHBondContact O-CG 3.33Å; H580-E584 PolarHBondContact O-N 3.16Å
581	R	94.8	Very high	94.8	Very high	167 Å²	167	73 Å²	73	63%	0.63	37%	0.368	S	S	*	.	H	α-helix	trans	-60.3	-29.8	178.4	-172.2	173	179.7	165.4	3.8	113.9	T577 I579 E584 L585	T577-R581 WeakPolarHBondContact O-CB 3.37Å; T577-R581 PolarHBondContact O-N 2.88Å; T577-R581 VanDerWaalsContact O-N 3.11Å; I579-R581 PolarHBondContact O-N 2.94Å; R581-E584 WeakPolarHBondContact CA-OE2 3.43Å; R581-L585 HydrophobicContact CG-CD1 3.89Å; R581-L585 HydrophobicContact CG-CG 4.41Å; R581-L585 WeakPolarHBondContact O-CB 3.38Å; R581-L585 VanDerWaalsContact O-CG 3.26Å; R581-L585 WeakPolarHBondContact O-CG 3.48Å; R581-L585 PolarHBondContact O-N 3.02Å; R581-L585 VanDerWaalsContact O-N 3.16Å
582	T	95.7	Very high	94.6	Very high	71 Å²	71	68.2 Å²	68.2	44%	0.436	34%	0.343	S	S	.	.	H	α-helix	trans	-73.5	-36.4	175.5	-57	0	0	0	0	111.7	L422 R578 I579 H580 M586	L422-T582 HydrophobicContact CD1-CG2 3.92Å; R578-T582 WeakPolarHBondContact O-CB 3.28Å; R578-T582 PolarHBondContact O-N 3.23Å; R578-T582 PolarHBondContact O-OG1 3.35Å; I579-T582 WeakPolarHBondContact O-CB 3.43Å; I579-T582 PolarHBondContact O-N 2.7Å; I579-T582 VanDerWaalsContact O-N 3.09Å; H580-T582 PolarHBondContact O-N 3.44Å; T582-M586 PolarHBondContact O-N 3.36Å
583	I	92.9	Very high	94.5	Very high	32 Å²	32	71.1 Å²	71.1	16%	0.164	36%	0.357	C	S	.	.	H	α-helix	trans	-69.7	-48.6	174.6	-65.4	166.8	0	0	0	110.3	I419 L422 K423 I579 H580 L585 M586	I419-I583 HydrophobicContact CG1-CG2 4.41Å; I419-I583 HydrophobicContact CG2-CG2 4.13Å; L422-I583 HydrophobicContact CB-CD1 3.96Å; L422-I583 HydrophobicContact CB-CG1 3.93Å; L422-I583 HydrophobicContact CD1-CG1 4.11Å; K423-I583 HydrophobicContact CG-CD1 4.09Å; I579-I583 HydrophobicContact CG2-CD1 3.93Å; I579-I583 HydrophobicContact CG2-CG1 4.49Å; I579-I583 WeakPolarHBondContact O-CG1 3.43Å; I579-I583 PolarHBondContact O-N 2.96Å; H580-I583 WeakPolarHBondContact O-CB 3.46Å; H580-I583 PolarHBondContact O-N 3.45Å; I583-L585 VanDerWaalsContact C-N 3.33Å; I583-L585 PolarHBondContact O-N 3.45Å; I583-M586 WeakPolarHBondContact O-CB 3.37Å; I583-M586 PolarHBondContact O-N 2.78Å; I583-M586 VanDerWaalsContact O-N 3.13Å
584	E	91.3	Very high	94.4	Very high	132 Å²	132	71.5 Å²	71.5	62%	0.617	36%	0.359	S	S	*	.	H	α-helix	trans	-53.6	-48	177.4	-70.5	155.7	-154	0	0	112	H580 R581 M586	H580-E584 WeakPolarHBondContact O-CG 3.33Å; H580-E584 PolarHBondContact O-N 3.16Å; R581-E584 WeakPolarHBondContact CA-OE2 3.43Å; E584-M586 VanDerWaalsContact C-N 3.3Å; E584-M586 PolarHBondContact O-N 2.87Å
585	L	94.1	Very high	94.3	Very high	84 Å²	84	70.9 Å²	70.9	44%	0.44	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-79.6	-7.6	-177.5	-64.5	176.3	0	0	0	113.8	R581 I583 Y587 T588	R581-L585 HydrophobicContact CG-CD1 3.89Å; R581-L585 HydrophobicContact CG-CG 4.41Å; R581-L585 WeakPolarHBondContact O-CB 3.38Å; R581-L585 VanDerWaalsContact O-CG 3.26Å; R581-L585 WeakPolarHBondContact O-CG 3.48Å; R581-L585 PolarHBondContact O-N 3.02Å; R581-L585 VanDerWaalsContact O-N 3.16Å; I583-L585 VanDerWaalsContact C-N 3.33Å; I583-L585 PolarHBondContact O-N 3.45Å; L585-Y587 PolarHBondContact O-N 2.83Å; L585-T588 HydrophobicContact CD2-CG2 4Å; L585-T588 PolarHBondContact O-N 3.05Å; L585-T588 PolarHBondContact O-OG1 2.79Å
586	M	93.6	Very high	94.2	Very high	27 Å²	27	69.9 Å²	69.9	13%	0.133	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-55.9	-27.8	-171.2	-173.1	62.1	73.8	0	0	114.4	K415 E418 I419 L422 T582 I583 E584	K415-M586 HydrophobicContact CB-CG 4Å; K415-M586 HydrophobicContact CB-SD 4.33Å; K415-M586 HydrophobicContact CD-CG 4.24Å; K415-M586 HydrophobicContact CD-SD 4.45Å; K415-M586 WeakPolarHBondContact CE-O 3.37Å; K415-M586 HydrophobicContact CG-CG 4.07Å; K415-M586 HydrophobicContact CG-SD 3.96Å; K415-M586 PolarHBondContact NZ-O 2.92Å; E418-M586 HydrophobicContact CB-CE 4.46Å; E418-M586 HydrophobicContact CG-CE 4.24Å; I419-M586 HydrophobicContact CD1-CB 4.13Å; I419-M586 HydrophobicContact CD1-CG 3.81Å; I419-M586 HydrophobicContact CG1-CB 4.32Å; I419-M586 HydrophobicContact CG1-CE 4.36Å; I419-M586 HydrophobicContact CG1-CG 3.92Å; L422-M586 HydrophobicContact CD1-CE 3.96Å; T582-M586 PolarHBondContact O-N 3.36Å; I583-M586 WeakPolarHBondContact O-CB 3.37Å; I583-M586 PolarHBondContact O-N 2.78Å; I583-M586 VanDerWaalsContact O-N 3.13Å; E584-M586 VanDerWaalsContact C-N 3.3Å; E584-M586 PolarHBondContact O-N 2.87Å
587	Y	94.6	Very high	94.3	Very high	15 Å²	15	69.2 Å²	69.2	6%	0.059	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-111.1	13.2	178.7	-62.4	-76.7	0	0	0	113.7	E337 R403 T412 K415 I419 L585 D589 M592	E337-Y587 WeakPolarHBondContact OE1-CE2 3.33Å; E337-Y587 PolarHBondContact OE2-OH 3.01Å; R403-Y587 HydrophobicContact CB-CD1 3.81Å; R403-Y587 HydrophobicContact CB-CE1 3.82Å; R403-Y587 HydrophobicContact CB-CG 4.49Å; R403-Y587 VanDerWaalsContact NH1-CE2 3.35Å; T412-Y587 HydrophobicContact CG2-CE1 4.41Å; K415-Y587 HydrophobicContact CB-CE1 3.88Å; K415-Y587 HydrophobicContact CD-CD1 3.81Å; K415-Y587 HydrophobicContact CD-CE1 3.78Å; K415-Y587 HydrophobicContact CG-CE1 4.49Å; I419-Y587 HydrophobicContact CD1-CD2 4.35Å; I419-Y587 HydrophobicContact CD1-CE2 3.51Å; L585-Y587 PolarHBondContact O-N 2.83Å; Y587-D589 VanDerWaalsContact C-N 3.26Å; Y587-D589 PolarHBondContact O-N 2.72Å; Y587-M592 HydrophobicContact CD1-CE 3.85Å; Y587-M592 HydrophobicContact CE1-CE 4.14Å; Y587-M592 WeakPolarHBondContact O-CB 3.49Å
588	T	92.4	Very high	94.2	Very high	74 Å²	74	68.6 Å²	68.6	45%	0.454	33%	0.327	S	S	.	.			trans	-86	7.5	178.5	63.5	0	0	0	0	113.9	L585	L585-T588 HydrophobicContact CD2-CG2 4Å; L585-T588 PolarHBondContact O-N 3.05Å; L585-T588 PolarHBondContact O-OG1 2.79Å
589	D	91.8	Very high	94.2	Very high	75 Å²	75	61.8 Å²	61.8	40%	0.401	30%	0.301	S	S	.	.	S	Bend	trans	-61.5	141.2	172.1	-72.7	-47.4	0	0	0	111.5	K415 Y587 S591 M592 M593	K415-D589 WeakPolarHBondContact CE-OD2 3.38Å; K415-D589 IonicContact NZ-OD2 2.65Å; K415-D589 PolarHBondContact NZ-OD2 3.05Å; Y587-D589 VanDerWaalsContact C-N 3.26Å; Y587-D589 PolarHBondContact O-N 2.72Å; D589-S591 PolarHBondContact O-N 2.81Å; D589-M592 HydrophobicContact CB-CG 4.18Å; D589-M592 CarbonylContact O-C 3.54Å; D589-M592 WeakPolarHBondContact O-CA 3.4Å; D589-M592 PolarHBondContact O-N 2.93Å; D589-M593 PolarHBondContact O-N 3.43Å
590	K	91.3	Very high	94.2	Very high	186 Å²	186	61.2 Å²	61.2	81%	0.809	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-56.7	-25.5	178.4	-66.4	-174.1	178.8	-177.1	0	114.1	M592 Q594	K590-M592 VanDerWaalsContact C-N 3.33Å; K590-Q594 PolarHBondContact O-NE2 2.99Å
591	S	91.2	Very high	94.3	Very high	71 Å²	71	57.9 Å²	57.9	50%	0.497	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-77.9	-14.3	175.3	47.8	0	0	0	0	114.2	D589	D589-S591 PolarHBondContact O-N 2.81Å
592	M	93.3	Very high	94.4	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-109.8	16	178	-52.8	-60.7	-81.1	0	0	111.8	D402 R403 N408 I411 K415 Y587 D589 K590	D402-M592 VanDerWaalsContact CB-C 3.49Å; D402-M592 HydrophobicContact CB-CB 4.43Å; D402-M592 WeakPolarHBondContact CB-O 3.09Å; R403-M592 HydrophobicContact CB-CE 3.96Å; N408-M592 HydrophobicContact CB-CE 4.44Å; N408-M592 PolarHBondContact ND2-SD 2.98Å; I411-M592 HydrophobicContact CG2-CE 4.29Å; I411-M592 HydrophobicContact CG2-SD 4.01Å; K415-M592 HydrophobicContact CD-CE 4.47Å; Y587-M592 HydrophobicContact CD1-CE 3.85Å; Y587-M592 HydrophobicContact CE1-CE 4.14Å; Y587-M592 WeakPolarHBondContact O-CB 3.49Å; D589-M592 HydrophobicContact CB-CG 4.18Å; D589-M592 CarbonylContact O-C 3.54Å; D589-M592 WeakPolarHBondContact O-CA 3.4Å; D589-M592 PolarHBondContact O-N 2.93Å; K590-M592 VanDerWaalsContact C-N 3.33Å
593	M	93.9	Very high	94.4	Very high	69 Å²	69	46.7 Å²	46.7	34%	0.34	23%	0.233	S	C	.	.			trans	-132.7	38.9	179.9	-61.9	-177	76	0	0	112	Y400 D589	Y400-M593 HydrophobicContact CD1-CB 3.82Å; Y400-M593 HydrophobicContact CD1-CG 4.26Å; Y400-M593 HydrophobicContact CD2-CE 4.06Å; Y400-M593 HydrophobicContact CE1-CB 3.84Å; Y400-M593 HydrophobicContact CE1-CE 4.1Å; Y400-M593 HydrophobicContact CE1-CG 4.44Å; Y400-M593 HydrophobicContact CE2-CE 3.53Å; Y400-M593 HydrophobicContact CG-CB 4.41Å; Y400-M593 HydrophobicContact CG-CG 4.36Å; D589-M593 PolarHBondContact O-N 3.43Å
594	Q	94.6	Very high	94.5	Very high	100 Å²	100	45.2 Å²	45.2	47%	0.467	23%	0.225	S	C	.	.	S	Bend	trans	-103.5	-6.2	-179.5	-61.9	-60	-41.7	0	0	114	D402 K590 P596 K664	D402-Q594 VanDerWaalsContact OD1-CA 3.3Å; D402-Q594 WeakPolarHBondContact OD1-CA 3.32Å; D402-Q594 VanDerWaalsContact OD1-CB 3.26Å; D402-Q594 WeakPolarHBondContact OD1-CB 3.44Å; D402-Q594 PolarHBondContact OD1-N 2.64Å; D402-Q594 PolarHBondContact OD2-N 3.39Å; K590-Q594 PolarHBondContact O-NE2 2.99Å; Q594-P596 WeakPolarHBondContact O-CD 3.29Å; Q594-K664 WeakPolarHBondContact O-CE 3.25Å; Q594-K664 PolarHBondContact O-NZ 2.84Å
595	V	95.7	Very high	94.4	Very high	11 Å²	11	39 Å²	39	7%	0.067	20%	0.196	C	C	.	.	S	Bend	trans	-124.6	68	-178.5	-166.4	0	0	0	0	110.6	L366 M401 D402 Y597	L366-V595 HydrophobicContact CD1-CG1 4.26Å; M401-V595 HydrophobicContact CB-CB 4.3Å; M401-V595 HydrophobicContact CB-CG1 3.95Å; M401-V595 PolarHBondContact N-O 3.13Å; D402-V595 PolarHBondContact OD1-N 3.15Å; D402-V595 WeakPolarHBondContact OD2-CA 3.42Å; D402-V595 WeakPolarHBondContact OD2-CB 3.28Å; D402-V595 PolarHBondContact OD2-N 3.21Å; V595-Y597 HydrophobicContact CG1-CD2 4.14Å; V595-Y597 HydrophobicContact CG1-CE2 3.78Å
596	P	96.4	Very high	94.2	Very high	12 Å²	12	37.6 Å²	37.6	8%	0.078	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	131.8	177.2	29.6	-34.4	0	0	0	112.2	M398 Y400 Q594 D663 K664	M398-P596 HydrophobicContact CE-CB 3.78Å; Y400-P596 HydrophobicContact CD1-CB 4.23Å; Y400-P596 HydrophobicContact CE1-CB 3.8Å; Q594-P596 WeakPolarHBondContact O-CD 3.29Å; P596-D663 HydrophobicContact CB-CB 4.02Å; P596-D663 HydrophobicContact CG-CB 4.06Å; P596-D663 PolarHBondContact O-N 3.14Å; P596-K664 HydrophobicContact CG-CG 4.18Å
597	Y	97.4	Very high	93.6	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.7	169.9	-89.1	-96.5	0	0	0	108.7	L366 P367 L370 M398 L399 M401 V595 I661 N662	L366-Y597 HydrophobicContact CB-CE2 4.49Å; L366-Y597 WeakPolarHBondContact CB-OH 3.29Å; L366-Y597 HydrophobicContact CD1-CE2 3.88Å; P367-Y597 WeakPolarHBondContact O-CE1 3.18Å; P367-Y597 PolarHBondContact O-OH 3.05Å; L370-Y597 HydrophobicContact CB-CD1 3.99Å; L370-Y597 HydrophobicContact CB-CE1 3.79Å; L370-Y597 HydrophobicContact CD2-CD1 4.32Å; L370-Y597 HydrophobicContact CD2-CE1 4.35Å; M398-Y597 CarbonylContact C-O 3.5Å; M398-Y597 WeakPolarHBondContact CA-O 3.28Å; L399-Y597 PolarHBondContact N-O 3.44Å; L399-Y597 PolarHBondContact O-N 2.86Å; M401-Y597 HydrophobicContact CB-CD2 4.33Å; M401-Y597 HydrophobicContact CG-CD2 3.7Å; M401-Y597 HydrophobicContact CG-CE2 4.18Å; M401-Y597 HydrophobicContact CG-CG 4.35Å; V595-Y597 HydrophobicContact CG1-CD2 4.14Å; V595-Y597 HydrophobicContact CG1-CE2 3.78Å; Y597-I661 CarbonylContact C-O 3.48Å; Y597-I661 VanDerWaalsContact CA-O 3.29Å; Y597-I661 WeakPolarHBondContact CA-O 3.17Å; Y597-N662 HydrophobicContact CD1-CB 4.28Å; Y597-N662 HydrophobicContact CE1-CB 3.71Å; Y597-N662 HydrophobicContact CE2-CB 4.37Å; Y597-N662 WeakPolarHBondContact CE2-ND2 3.44Å; Y597-N662 VanDerWaalsContact CZ-ND2 3.29Å; Y597-N662 PolarHBondContact OH-ND2 2.96Å
598	R	95.6	Very high	92.5	Very high	78 Å²	78	42.4 Å²	42.4	29%	0.294	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135	178.6	-179.1	-176.3	-60	-101.2	-5.7	109.6	M398 H600 Y660 I661 D663	M398-R598 HydrophobicContact CE-CB 4.21Å; M398-R598 HydrophobicContact SD-CB 3.65Å; M398-R598 HydrophobicContact SD-CG 3.83Å; R598-H600 PolarHBondContact O-N 3.16Å; R598-Y660 CarbonylContact O-C 3.53Å; R598-Y660 VanDerWaalsContact O-CA 3.28Å; R598-Y660 WeakPolarHBondContact O-CA 3.42Å; R598-I661 HydrophobicContact CB-CG1 4.13Å; R598-I661 PolarHBondContact N-O 3.47Å; R598-I661 PolarHBondContact O-N 3.37Å; R598-D663 HydrophobicContact CB-CB 4.48Å; R598-D663 IonicContact CZ-OD1 3.84Å; R598-D663 IonicContact NE-OD1 2.66Å; R598-D663 PolarHBondContact NE-OD1 3.42Å; R598-D663 IonicContact NH2-OD1 3.52Å; R598-D663 PolarHBondContact NH2-OD1 3.31Å; R598-D663 IonicContact NH2-OD2 2.71Å
599	L	97.3	Very high	91.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	121.5	172.8	-171.8	72	0	0	0	109.3	F395 S397 V602 W626 W639 L658 Y660	F395-L599 HydrophobicContact CD2-CD2 3.98Å; F395-L599 HydrophobicContact CE2-CD2 3.75Å; S397-L599 PolarHBondContact O-N 3.41Å; L599-V602 HydrophobicContact CD1-CG2 4.07Å; L599-V602 HydrophobicContact CD2-CG2 3.6Å; L599-V602 HydrophobicContact CG-CG2 4.08Å; L599-W626 HydrophobicContact CB-CH2 4.33Å; L599-W626 HydrophobicContact CD2-CH2 3.87Å; L599-W626 HydrophobicContact CD2-CZ2 4.17Å; L599-W626 HydrophobicContact CG-CH2 3.94Å; L599-W639 HydrophobicContact CD2-CH2 4.21Å; L599-W639 HydrophobicContact CD2-CZ3 3.86Å; L599-L658 HydrophobicContact CD1-CB 4.16Å; L599-Y660 HydrophobicContact CB-CD1 4Å; L599-Y660 HydrophobicContact CB-CE1 3.69Å; L599-Y660 HydrophobicContact CD1-CD1 4.17Å; L599-Y660 HydrophobicContact CD1-CD2 3.94Å; L599-Y660 HydrophobicContact CD1-CE1 3.83Å; L599-Y660 HydrophobicContact CD1-CE2 3.6Å; L599-Y660 HydrophobicContact CD1-CG 4.21Å; L599-Y660 HydrophobicContact CG-CE1 4.34Å
600	H	95.6	Very high	90	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.019	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-48.5	-179.3	170.7	77.5	0	0	0	111.5	S185 N188 R598 I618 Y619 M659 I661	S185-H600 PolarHBondContact O-NE2 2.84Å; N188-H600 PolarHBondContact O-CE1 3.37Å; R598-H600 PolarHBondContact O-N 3.16Å; H600-I618 WeakPolarHBondContact O-CA 3.45Å; H600-Y619 PolarHBondContact O-N 2.63Å; H600-M659 PolarHBondContact N-O 2.8Å; H600-I661 HydrophobicContact CB-CB 4.48Å; H600-I661 HydrophobicContact CB-CD1 4.26Å; H600-I661 HydrophobicContact CB-CG1 4.11Å; H600-I661 HydrophobicContact CB-CG2 3.77Å
601	A	96.9	Very high	88.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155	179.9	0	0	0	0	0	113.1	Y617 I618 M659	A601-Y617 CarbonylContact C-O 3.54Å; A601-Y617 WeakPolarHBondContact CA-O 3.46Å; A601-I618 HydrophobicContact CB-CG1 4.04Å; A601-I618 HydrophobicContact CB-CG2 4.46Å; A601-M659 HydrophobicContact CB-CB 4.11Å; A601-M659 HydrophobicContact CB-CG 4.35Å; A601-M659 HydrophobicContact CB-SD 4.2Å; A601-M659 PolarHBondContact N-O 3.11Å; A601-M659 VanDerWaalsContact N-O 3.13Å; A601-M659 PolarHBondContact O-N 3.21Å
602	V	97.5	Very high	88.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	120.8	174.5	179.5	0	0	0	0	108.2	F395 L599 V604 A616 Y617 L642 A655 L658	F395-V602 HydrophobicContact CE2-CG2 3.87Å; F395-V602 HydrophobicContact CZ-CG1 4.04Å; F395-V602 HydrophobicContact CZ-CG2 4.07Å; L599-V602 HydrophobicContact CD1-CG2 4.07Å; L599-V602 HydrophobicContact CD2-CG2 3.6Å; L599-V602 HydrophobicContact CG-CG2 4.08Å; V602-V604 HydrophobicContact CG1-CG2 3.92Å; V602-A616 WeakPolarHBondContact O-CA 3.33Å; V602-Y617 PolarHBondContact N-O 3.21Å; V602-Y617 PolarHBondContact O-N 2.72Å; V602-L642 HydrophobicContact CG2-CD1 4.25Å; V602-L642 HydrophobicContact CG2-CD2 4.33Å; V602-A655 HydrophobicContact CG1-CB 3.71Å; V602-L658 HydrophobicContact CB-CD2 4.43Å; V602-L658 HydrophobicContact CG1-CD2 3.93Å; V602-L658 HydrophobicContact CG2-CD2 3.95Å
603	L	95.2	Very high	88.2	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.6	173.3	-70.7	73.6	0	0	0	108.5	A181 V182 S185 V262 A655 Y656 C657 M659	A181-L603 HydrophobicContact CB-CD2 4.37Å; A181-L603 HydrophobicContact CB-CG 4.44Å; V182-L603 HydrophobicContact CB-CD2 4.46Å; V182-L603 HydrophobicContact CG2-CD2 3.55Å; S185-L603 WeakPolarHBondContact OG-CD1 3.22Å; V262-L603 HydrophobicContact CG1-CD2 4.01Å; L603-A655 WeakPolarHBondContact O-CA 3.46Å; L603-Y656 PolarHBondContact O-N 2.85Å; L603-C657 HydrophobicContact CB-CB 4.23Å; L603-C657 HydrophobicContact CD1-CB 4.41Å; L603-C657 PolarHBondContact N-O 2.84Å; L603-C657 PolarHBondContact O-N 2.82Å; L603-M659 HydrophobicContact CD1-CG 4.3Å; L603-M659 HydrophobicContact CD1-SD 4.16Å
604	V	94.1	Very high	88.1	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140	-175.5	-179.5	0	0	0	0	109.7	V602 Y614 W615 Y617 D645 S646 A653	V602-V604 HydrophobicContact CG1-CG2 3.92Å; V604-Y614 WeakPolarHBondContact O-CA 3.3Å; V604-W615 HydrophobicContact CB-CD2 4.26Å; V604-W615 HydrophobicContact CB-CG 4.49Å; V604-W615 HydrophobicContact CB-CZ2 4.24Å; V604-W615 HydrophobicContact CG1-CD2 4.39Å; V604-W615 HydrophobicContact CG1-CH2 4.16Å; V604-W615 HydrophobicContact CG1-CZ2 3.54Å; V604-W615 PolarHBondContact N-O 2.9Å; V604-W615 PolarHBondContact O-N 3.07Å; V604-W615 VanDerWaalsContact O-N 3.15Å; V604-Y617 HydrophobicContact CG2-CD2 3.89Å; V604-Y617 HydrophobicContact CG2-CE2 3.95Å; V604-D645 WeakPolarHBondContact CG1-O 3.33Å; V604-S646 WeakPolarHBondContact CG2-OG 3.38Å; V604-A653 HydrophobicContact CG1-CB 3.97Å
605	H	90.5	Very high	88.1	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.009	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.1	179.7	178	-156.9	0	0	0	111.2	K388 Q608 Y614 A653 S654	K388-H605 PolarHBondContact NZ-O 2.85Å; H605-Q608 PolarHBondContact CE1-O 3.41Å; H605-Q608 VanDerWaalsContact CE1-O 3.23Å; H605-Q608 PolarHBondContact NE2-O 3.03Å; H605-Y614 HydrophobicContact CB-CD1 3.76Å; H605-Y614 HydrophobicContact CB-CE1 3.38Å; H605-Y614 AromaticContact CD2-CE1 3.62Å; H605-Y614 AromaticContact CD2-CE2 3.75Å; H605-Y614 AromaticContact CD2-CZ 3.41Å; H605-Y614 VanDerWaalsContact CD2-CZ 3.41Å; H605-Y614 AromaticContact CE1-CZ 3.82Å; H605-Y614 PolarHBondContact CE1-OH 3.47Å; H605-Y614 VanDerWaalsContact CE1-OH 3.26Å; H605-Y614 AromaticContact CG-CE1 3.33Å; H605-Y614 AromaticContact CG-CZ 3.49Å; H605-Y614 VanDerWaalsContact CG-CZ 3.49Å; H605-Y614 AromaticContact ND1-CE1 3.86Å; H605-Y614 AromaticContact ND1-CZ 3.73Å; H605-Y614 PolarHBondContact ND1-OH 3.24Å; H605-Y614 AromaticContact NE2-CE2 3.95Å; H605-Y614 AromaticContact NE2-CZ 3.69Å; H605-A653 WeakPolarHBondContact O-CA 3.4Å; H605-S654 PolarHBondContact N-O 3.2Å; H605-S654 PolarHBondContact O-N 3.14Å
606	E	88.8	Confident	88.2	Confident	55 Å²	55	29.2 Å²	29.2	26%	0.257	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.6	169.7	-176.1	150	-118.3	0	0	110.7	G612 H613 W615 N652 A653	E606-G612 CarbonylContact O-C 3.54Å; E606-G612 WeakPolarHBondContact O-CA 3.22Å; E606-H613 PolarHBondContact N-O 3.24Å; E606-H613 PolarHBondContact O-N 2.91Å; E606-W615 HydrophobicContact CB-CH2 3.68Å; E606-W615 HydrophobicContact CB-CZ3 3.71Å; E606-N652 HydrophobicContact CG-CB 3.91Å; E606-N652 WeakPolarHBondContact OE1-CB 3.44Å; E606-N652 PolarHBondContact OE1-N 2.86Å; E606-A653 HydrophobicContact CB-CB 4.02Å; E606-A653 HydrophobicContact CG-CB 4.38Å; E606-A653 PolarHBondContact OE1-N 3.27Å
607	G	80.5	Confident	88.2	Confident	29 Å²	29	28.7 Å²	28.7	30%	0.299	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	134.8	-171.2	-171.9	0	0	0	0	0	113.7	K388	K388-G607 WeakPolarHBondContact CD-O 3.34Å; K388-G607 PolarHBondContact NZ-O 3.26Å
608	Q	73.3	Confident	88.2	Confident	113 Å²	113	28.7 Å²	28.7	53%	0.528	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	167.1	179.1	-54.9	-175.6	30.5	0	0	111	H605 N610 A611	H605-Q608 PolarHBondContact CE1-O 3.41Å; H605-Q608 VanDerWaalsContact CE1-O 3.23Å; H605-Q608 PolarHBondContact NE2-O 3.03Å; Q608-N610 VanDerWaalsContact C-N 3.29Å; Q608-N610 PolarHBondContact O-N 3.05Å; Q608-A611 PolarHBondContact N-O 3.14Å; Q608-A611 CarbonylContact O-C 3.58Å; Q608-A611 PolarHBondContact O-N 2.89Å; Q608-A611 VanDerWaalsContact O-N 3.15Å; Q608-A611 VanDerWaalsContact O-O 3.11Å
609	A	66.4	Low	88.1	Confident	40 Å²	40	27.4 Å²	27.4	33%	0.331	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-47.5	-178.7	0	0	0	0	0	113.9	F377	F377-A609 HydrophobicContact CD1-CB 4.07Å; F377-A609 HydrophobicContact CE1-CB 3.57Å; F377-A609 HydrophobicContact CE2-CB 4.35Å; F377-A609 VanDerWaalsContact CZ-CA 3.5Å; F377-A609 HydrophobicContact CZ-CB 3.74Å
610	N	64.2	Low	87.8	Confident	110 Å²	110	28.5 Å²	28.5	59%	0.588	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-12.9	-173.5	-56.3	-6.3	0	0	0	113.1	Q259 Q608	Q259-N610 PolarHBondContact NE2-O 3.45Å; Q259-N610 PolarHBondContact OE1-O 3.35Å; Q608-N610 VanDerWaalsContact C-N 3.29Å; Q608-N610 PolarHBondContact O-N 3.05Å
611	A	69	Low	87.2	Confident	58 Å²	58	30.4 Å²	30.4	48%	0.479	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	118.9	-172.3	0	0	0	0	0	111.6	Q608	Q608-A611 PolarHBondContact N-O 3.14Å; Q608-A611 CarbonylContact O-C 3.58Å; Q608-A611 PolarHBondContact O-N 2.89Å; Q608-A611 VanDerWaalsContact O-N 3.15Å; Q608-A611 VanDerWaalsContact O-O 3.11Å
612	G	80.1	Confident	86.4	Confident	35 Å²	35	35.4 Å²	35.4	36%	0.361	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	176	177.3	0	0	0	0	0	112.1	E606	E606-G612 CarbonylContact O-C 3.54Å; E606-G612 WeakPolarHBondContact O-CA 3.22Å
613	H	89.1	Confident	85.7	Confident	46 Å²	46	38.8 Å²	38.8	21%	0.213	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	143.4	179.8	-169.7	50	0	0	0	111.6	C177 E606 W615 N630 D631	C177-H613 PolarHBondContact SG-ND1 3.5Å; E606-H613 PolarHBondContact N-O 3.24Å; E606-H613 PolarHBondContact O-N 2.91Å; H613-W615 AromaticContact CD2-CE3 3.65Å; H613-W615 AromaticContact CD2-CZ3 3.93Å; H613-N630 PolarHBondContact NE2-OD1 3.07Å; H613-D631 IonicContact CE1-OD2 3.72Å; H613-D631 PolarHBondContact CE1-OD2 3.34Å
614	Y	91.3	Very high	85.3	Confident	13 Å²	13	48 Å²	48	5%	0.051	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136	-173.2	-70.5	-87	0	0	0	111.4	C177 W178 V262 V604 H605	C177-Y614 PolarHBondContact SG-N 2.89Å; W178-Y614 HydrophobicContact CB-CD2 3.99Å; W178-Y614 HydrophobicContact CB-CE2 4.44Å; W178-Y614 HydrophobicContact CB-CG 4.14Å; V262-Y614 HydrophobicContact CB-CE1 4.48Å; V262-Y614 HydrophobicContact CG2-CD1 3.57Å; V262-Y614 HydrophobicContact CG2-CE1 3.13Å; V262-Y614 HydrophobicContact CG2-CE2 4.21Å; V262-Y614 HydrophobicContact CG2-CG 4.25Å; V262-Y614 VanDerWaalsContact CG2-CZ 3.5Å; V604-Y614 WeakPolarHBondContact O-CA 3.3Å; H605-Y614 HydrophobicContact CB-CD1 3.76Å; H605-Y614 HydrophobicContact CB-CE1 3.38Å; H605-Y614 AromaticContact CD2-CE1 3.62Å; H605-Y614 AromaticContact CD2-CE2 3.75Å; H605-Y614 AromaticContact CD2-CZ 3.41Å; H605-Y614 VanDerWaalsContact CD2-CZ 3.41Å; H605-Y614 AromaticContact CE1-CZ 3.82Å; H605-Y614 PolarHBondContact CE1-OH 3.47Å; H605-Y614 VanDerWaalsContact CE1-OH 3.26Å; H605-Y614 AromaticContact CG-CE1 3.33Å; H605-Y614 AromaticContact CG-CZ 3.49Å; H605-Y614 VanDerWaalsContact CG-CZ 3.49Å; H605-Y614 AromaticContact ND1-CE1 3.86Å; H605-Y614 AromaticContact ND1-CZ 3.73Å; H605-Y614 PolarHBondContact ND1-OH 3.24Å; H605-Y614 AromaticContact NE2-CE2 3.95Å; H605-Y614 AromaticContact NE2-CZ 3.69Å
615	W	95.1	Very high	85.2	Confident	11 Å²	11	49.4 Å²	49.4	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	165.1	172.8	63	92.6	0	0	0	111.1	V604 E606 H613 Y617 Y629 N630 D645 A653	V604-W615 HydrophobicContact CB-CD2 4.26Å; V604-W615 HydrophobicContact CB-CG 4.49Å; V604-W615 HydrophobicContact CB-CZ2 4.24Å; V604-W615 HydrophobicContact CG1-CD2 4.39Å; V604-W615 HydrophobicContact CG1-CH2 4.16Å; V604-W615 HydrophobicContact CG1-CZ2 3.54Å; V604-W615 PolarHBondContact N-O 2.9Å; V604-W615 PolarHBondContact O-N 3.07Å; V604-W615 VanDerWaalsContact O-N 3.15Å; E606-W615 HydrophobicContact CB-CH2 3.68Å; E606-W615 HydrophobicContact CB-CZ3 3.71Å; H613-W615 AromaticContact CD2-CE3 3.65Å; H613-W615 AromaticContact CD2-CZ3 3.93Å; W615-Y617 AromaticContact CD1-CE2 3.9Å; W615-Y617 AromaticContact NE1-CE2 3.45Å; W615-Y617 AromaticContact NE1-CZ 3.88Å; W615-Y629 WeakPolarHBondContact CB-O 3.47Å; W615-N630 HydrophobicContact CB-CB 4.22Å; W615-D645 HydrophobicContact CZ2-CB 4.22Å; W615-A653 HydrophobicContact CH2-CB 3.86Å; W615-A653 HydrophobicContact CZ2-CB 4Å
616	A	97	Very high	85.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.4	177.1	0	0	0	0	0	111.6	A181 S185 V602 I618 Y629	A181-A616 HydrophobicContact CB-CB 4.23Å; S185-A616 WeakPolarHBondContact OG-CB 3.48Å; V602-A616 WeakPolarHBondContact O-CA 3.33Å; A616-I618 HydrophobicContact CB-CD1 4.35Å; A616-I618 HydrophobicContact CB-CG1 4.13Å; A616-Y629 PolarHBondContact N-O 3.03Å; A616-Y629 VanDerWaalsContact N-O 3.12Å; A616-Y629 PolarHBondContact O-N 3.14Å
617	Y	97.9	Very high	85.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.3	155.2	-67.7	-80.2	0	0	0	108.7	A601 V602 V604 W615 M627 K628 S637 E641 L642 D645	A601-Y617 CarbonylContact C-O 3.54Å; A601-Y617 WeakPolarHBondContact CA-O 3.46Å; V602-Y617 PolarHBondContact N-O 3.21Å; V602-Y617 PolarHBondContact O-N 2.72Å; V604-Y617 HydrophobicContact CG2-CD2 3.89Å; V604-Y617 HydrophobicContact CG2-CE2 3.95Å; W615-Y617 AromaticContact CD1-CE2 3.9Å; W615-Y617 AromaticContact NE1-CE2 3.45Å; W615-Y617 AromaticContact NE1-CZ 3.88Å; Y617-M627 WeakPolarHBondContact CA-O 3.41Å; Y617-K628 HydrophobicContact CD1-CB 3.96Å; Y617-K628 HydrophobicContact CD1-CG 4.1Å; Y617-K628 HydrophobicContact CE1-CB 3.74Å; Y617-K628 HydrophobicContact CE1-CD 3.65Å; Y617-K628 HydrophobicContact CE1-CG 3.61Å; Y617-K628 WeakPolarHBondContact OH-CE 3.45Å; Y617-K628 PolarHBondContact OH-NZ 3.11Å; Y617-S637 VanDerWaalsContact CE1-OG 3.3Å; Y617-S637 WeakPolarHBondContact CE1-OG 3.35Å; Y617-E641 HydrophobicContact CE1-CG 4Å; Y617-E641 VanDerWaalsContact OH-CG 3.28Å; Y617-E641 WeakPolarHBondContact OH-CG 3.42Å; Y617-L642 HydrophobicContact CD1-CB 4.2Å; Y617-L642 HydrophobicContact CD1-CG 4.48Å; Y617-L642 HydrophobicContact CD2-CB 4.31Å; Y617-L642 HydrophobicContact CD2-CG 3.99Å; Y617-L642 HydrophobicContact CE1-CB 4.41Å; Y617-L642 HydrophobicContact CG-CB 4.14Å; Y617-L642 HydrophobicContact CG-CD1 4.11Å; Y617-L642 HydrophobicContact CG-CG 3.93Å; Y617-D645 HydrophobicContact CE2-CB 4.11Å; Y617-D645 PolarHBondContact OH-OD2 3.04Å
618	I	96.8	Very high	86.5	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.6	178.7	-49.1	174.3	0	0	0	108.4	Q184 N188 H600 A601 A616 M627 Y629	Q184-I618 VanDerWaalsContact C-CD1 3.44Å; Q184-I618 HydrophobicContact CB-CD1 3.91Å; Q184-I618 WeakPolarHBondContact O-CD1 3.37Å; N188-I618 HydrophobicContact CB-CD1 4.35Å; N188-I618 HydrophobicContact CB-CG2 3.84Å; H600-I618 WeakPolarHBondContact O-CA 3.45Å; A601-I618 HydrophobicContact CB-CG1 4.04Å; A601-I618 HydrophobicContact CB-CG2 4.46Å; A616-I618 HydrophobicContact CB-CD1 4.35Å; A616-I618 HydrophobicContact CB-CG1 4.13Å; I618-M627 PolarHBondContact N-O 2.96Å; I618-M627 PolarHBondContact O-N 3.38Å; I618-Y629 HydrophobicContact CB-CD2 4.16Å; I618-Y629 HydrophobicContact CB-CE2 3.86Å; I618-Y629 HydrophobicContact CD1-CD2 3.66Å; I618-Y629 HydrophobicContact CD1-CE2 3.71Å; I618-Y629 HydrophobicContact CD1-CG 4.16Å; I618-Y629 HydrophobicContact CG1-CD2 3.89Å; I618-Y629 HydrophobicContact CG1-CE2 4.02Å
619	Y	94.5	Very high	87.6	Confident	52 Å²	52	42.1 Å²	42.1	20%	0.204	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.6	177.2	-175.3	-100	0	0	0	110.7	H600 P621 R624 W626	H600-Y619 PolarHBondContact O-N 2.63Å; Y619-P621 WeakPolarHBondContact O-CD 3.39Å; Y619-R624 WeakPolarHBondContact OH-CA 3.48Å; Y619-W626 HydrophobicContact CD2-CD2 4.18Å; Y619-W626 AromaticContact CD2-CE2 3.91Å; Y619-W626 HydrophobicContact CD2-CG 4.4Å; Y619-W626 HydrophobicContact CD2-CZ2 4.29Å; Y619-W626 AromaticContact CD2-NE1 3.95Å
620	D	89.4	Confident	89	Confident	24 Å²	24	42.1 Å²	42.1	13%	0.128	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114	173.9	-178.5	-32.1	0	0	0	109.6	H622 Q623 R624 C625 M627	D620-H622 VanDerWaalsContact C-N 3.3Å; D620-H622 PolarHBondContact O-N 2.9Å; D620-H622 WeakPolarHBondContact OD1-CA 3.39Å; D620-H622 WeakPolarHBondContact OD1-CB 3.4Å; D620-H622 IonicContact OD1-CD2 3.82Å; D620-H622 IonicContact OD1-CG 2.72Å; D620-H622 PolarHBondContact OD1-N 2.88Å; D620-Q623 HydrophobicContact CB-CB 4.23Å; D620-Q623 PolarHBondContact OD1-N 3.43Å; D620-Q623 WeakPolarHBondContact OD2-CG 3.44Å; D620-Q623 PolarHBondContact OD2-NE2 3.33Å; D620-R624 WeakPolarHBondContact O-CA 3.45Å; D620-R624 PolarHBondContact O-N 2.93Å; D620-C625 PolarHBondContact N-O 2.8Å; D620-M627 HydrophobicContact CB-CG 3.91Å
621	P	83.6	Confident	90.4	Very high	45 Å²	45	37.2 Å²	37.2	29%	0.292	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.1	-179.3	-19.6	33.7	0	0	0	114.1	Y619 R624 I669	Y619-P621 WeakPolarHBondContact O-CD 3.39Å; P621-R624 WeakPolarHBondContact O-CG 3.4Å; P621-I669 HydrophobicContact CG-CB 4.04Å; P621-I669 HydrophobicContact CG-CG2 4.11Å
622	H	79.9	Confident	91.5	Very high	104 Å²	104	35.7 Å²	35.7	48%	0.481	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-48.1	-176.3	-53	-90.3	0	0	0	110.7	D620 E671	D620-H622 VanDerWaalsContact C-N 3.3Å; D620-H622 PolarHBondContact O-N 2.9Å; D620-H622 WeakPolarHBondContact OD1-CA 3.39Å; D620-H622 WeakPolarHBondContact OD1-CB 3.4Å; D620-H622 IonicContact OD1-CD2 3.82Å; D620-H622 IonicContact OD1-CG 2.72Å; D620-H622 PolarHBondContact OD1-N 2.88Å; H622-E671 IonicContact CE1-OE2 2.74Å; H622-E671 PolarHBondContact CE1-OE2 3.34Å; H622-E671 IonicContact ND1-OE2 3.74Å; H622-E671 IonicContact NE2-OE2 3.17Å
623	Q	82.3	Confident	92	Very high	71 Å²	71	35.6 Å²	35.6	33%	0.332	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-14.4	176.8	-61.1	-172.4	86.2	0	0	112.9	D620 C625	D620-Q623 HydrophobicContact CB-CB 4.23Å; D620-Q623 PolarHBondContact OD1-N 3.43Å; D620-Q623 WeakPolarHBondContact OD2-CG 3.44Å; D620-Q623 PolarHBondContact OD2-NE2 3.33Å; Q623-C625 PolarHBondContact O-N 3.49Å
624	R	86.9	Confident	92.2	Very high	197 Å²	197	34.2 Å²	34.2	74%	0.743	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	26.3	-179.5	-58.7	-177.9	175.1	-174.9	-1.4	114.4	Y619 D620 P621	Y619-R624 WeakPolarHBondContact OH-CA 3.48Å; D620-R624 WeakPolarHBondContact O-CA 3.45Å; D620-R624 PolarHBondContact O-N 2.93Å; P621-R624 WeakPolarHBondContact O-CG 3.4Å
625	C	92.3	Very high	92.3	Very high	30 Å²	30	35.5 Å²	35.5	20%	0.203	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	162.5	179.1	62.5	0	0	0	0	111.1	D620 Q623	D620-C625 PolarHBondContact N-O 2.8Å; Q623-C625 PolarHBondContact O-N 3.49Å
626	W	95.9	Very high	92.3	Very high	19 Å²	19	41.6 Å²	41.6	7%	0.072	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	147	167.4	-74	96.2	0	0	0	110	L599 Y619 S637 W639 L642	L599-W626 HydrophobicContact CB-CH2 4.33Å; L599-W626 HydrophobicContact CD2-CH2 3.87Å; L599-W626 HydrophobicContact CD2-CZ2 4.17Å; L599-W626 HydrophobicContact CG-CH2 3.94Å; Y619-W626 HydrophobicContact CD2-CD2 4.18Å; Y619-W626 AromaticContact CD2-CE2 3.91Å; Y619-W626 HydrophobicContact CD2-CG 4.4Å; Y619-W626 HydrophobicContact CD2-CZ2 4.29Å; Y619-W626 AromaticContact CD2-NE1 3.95Å; W626-S637 CarbonylContact O-C 3.57Å; W626-S637 WeakPolarHBondContact O-CA 3.42Å; W626-S637 PolarHBondContact O-N 3.15Å; W626-W639 HydrophobicContact CZ2-CE3 4.14Å; W626-W639 HydrophobicContact CZ2-CZ3 4.07Å; W626-W639 AromaticContact NE1-CE3 3.66Å; W626-L642 HydrophobicContact CD2-CD1 3.5Å; W626-L642 HydrophobicContact CE3-CD1 3.47Å; W626-L642 VanDerWaalsContact CE3-CD1 3.47Å; W626-L642 HydrophobicContact CG-CD1 4.17Å; W626-L642 HydrophobicContact CH2-CD1 3.88Å; W626-L642 HydrophobicContact CZ2-CD1 3.9Å; W626-L642 HydrophobicContact CZ3-CD1 3.66Å
627	M	95	Very high	92.2	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.015	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.1	179.1	-64.9	-62	-62.8	0	0	108	P167 Y617 I618 D620 Y629 V634 T635 K636	P167-M627 HydrophobicContact CG-CE 4.34Å; Y617-M627 WeakPolarHBondContact CA-O 3.41Å; I618-M627 PolarHBondContact N-O 2.96Å; I618-M627 PolarHBondContact O-N 3.38Å; D620-M627 HydrophobicContact CB-CG 3.91Å; M627-Y629 HydrophobicContact CB-CD2 4.11Å; M627-Y629 HydrophobicContact CB-CE2 3.48Å; M627-Y629 VanDerWaalsContact CB-CE2 3.48Å; M627-V634 HydrophobicContact CE-CG1 3.8Å; M627-T635 CarbonylContact C-O 3.6Å; M627-T635 WeakPolarHBondContact CA-O 3.45Å; M627-K636 HydrophobicContact CE-CG 4.18Å; M627-K636 HydrophobicContact SD-CB 4.31Å; M627-K636 HydrophobicContact SD-CG 3.8Å
628	K	96.9	Very high	92	Very high	17 Å²	17	44.4 Å²	44.4	7%	0.074	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.6	177.8	-169.8	175	-164.7	166.4	0	108.5	Y617 V634 T635 E641 D645	Y617-K628 HydrophobicContact CD1-CB 3.96Å; Y617-K628 HydrophobicContact CD1-CG 4.1Å; Y617-K628 HydrophobicContact CE1-CB 3.74Å; Y617-K628 HydrophobicContact CE1-CD 3.65Å; Y617-K628 HydrophobicContact CE1-CG 3.61Å; Y617-K628 WeakPolarHBondContact OH-CE 3.45Å; Y617-K628 PolarHBondContact OH-NZ 3.11Å; K628-V634 WeakPolarHBondContact O-CA 3.41Å; K628-T635 PolarHBondContact N-O 2.97Å; K628-T635 PolarHBondContact O-N 3Å; K628-T635 PolarHBondContact O-OG1 2.88Å; K628-E641 WeakPolarHBondContact CD-OE1 3.09Å; K628-E641 IonicContact NZ-OE1 2.74Å; K628-E641 PolarHBondContact NZ-OE1 2.83Å; K628-D645 IonicContact NZ-OD2 2.79Å; K628-D645 PolarHBondContact NZ-OD2 3.14Å
629	Y	96.4	Very high	91.9	Very high	8 Å²	8	47.8 Å²	47.8	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	100.2	178.5	-69.4	-105.2	0	0	0	108.6	P167 Q184 N188 W615 A616 I618 M627 V634	P167-Y629 HydrophobicContact CB-CE1 3.87Å; P167-Y629 HydrophobicContact CG-CE1 4.43Å; P167-Y629 WeakPolarHBondContact CG-OH 3.49Å; Q184-Y629 HydrophobicContact CB-CD1 4Å; Q184-Y629 HydrophobicContact CB-CG 4.21Å; Q184-Y629 HydrophobicContact CG-CD1 3.77Å; Q184-Y629 HydrophobicContact CG-CE1 4.5Å; Q184-Y629 HydrophobicContact CG-CG 4.3Å; Q184-Y629 VanDerWaalsContact OE1-CE1 3.26Å; N188-Y629 PolarHBondContact OD1-OH 3.08Å; W615-Y629 WeakPolarHBondContact CB-O 3.47Å; A616-Y629 PolarHBondContact N-O 3.03Å; A616-Y629 VanDerWaalsContact N-O 3.12Å; A616-Y629 PolarHBondContact O-N 3.14Å; I618-Y629 HydrophobicContact CB-CD2 4.16Å; I618-Y629 HydrophobicContact CB-CE2 3.86Å; I618-Y629 HydrophobicContact CD1-CD2 3.66Å; I618-Y629 HydrophobicContact CD1-CE2 3.71Å; I618-Y629 HydrophobicContact CD1-CG 4.16Å; I618-Y629 HydrophobicContact CG1-CD2 3.89Å; I618-Y629 HydrophobicContact CG1-CE2 4.02Å; M627-Y629 HydrophobicContact CB-CD2 4.11Å; M627-Y629 HydrophobicContact CB-CE2 3.48Å; M627-Y629 VanDerWaalsContact CB-CE2 3.48Å; Y629-V634 HydrophobicContact CD1-CB 4.29Å; Y629-V634 HydrophobicContact CD1-CG1 3.83Å; Y629-V634 HydrophobicContact CD1-CG2 3.53Å; Y629-V634 HydrophobicContact CD2-CG1 4.36Å; Y629-V634 HydrophobicContact CE1-CB 4.44Å; Y629-V634 HydrophobicContact CE1-CG1 3.69Å; Y629-V634 HydrophobicContact CE1-CG2 3.84Å; Y629-V634 HydrophobicContact CE2-CG1 4.2Å; Y629-V634 HydrophobicContact CG-CG1 4.18Å; Y629-V634 HydrophobicContact CG-CG2 4.32Å
630	N	94.8	Very high	91.9	Very high	40 Å²	40	50.8 Å²	50.8	21%	0.214	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	91.5	-179.6	-175.5	13.4	0	0	0	109	H613 W615 I632 S633	H613-N630 PolarHBondContact NE2-OD1 3.07Å; W615-N630 HydrophobicContact CB-CB 4.22Å; N630-I632 PolarHBondContact O-N 2.73Å; N630-S633 PolarHBondContact N-O 3.46Å; N630-S633 PolarHBondContact O-N 2.74Å
631	D	93.9	Very high	92	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.032	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	-115.4	-171	-68.4	-37.9	0	0	0	112.5	G169 L170 N172 S180 H613 S633	G169-D631 CarbonylContact C-O 3.59Å; G169-D631 WeakPolarHBondContact CA-O 3.35Å; L170-D631 PolarHBondContact N-O 2.93Å; L170-D631 CarbonylContact O-C 3.56Å; L170-D631 WeakPolarHBondContact O-CA 3.27Å; L170-D631 WeakPolarHBondContact O-CB 3.39Å; N172-D631 HydrophobicContact CB-CB 4.32Å; N172-D631 WeakPolarHBondContact CB-OD2 3.18Å; N172-D631 PolarHBondContact ND2-OD2 2.79Å; S180-D631 WeakPolarHBondContact CB-OD1 3.26Å; S180-D631 PolarHBondContact OG-OD1 2.93Å; H613-D631 IonicContact CE1-OD2 3.72Å; H613-D631 PolarHBondContact CE1-OD2 3.34Å; D631-S633 PolarHBondContact O-N 3.34Å
632	I	91.9	Very high	92.6	Very high	27 Å²	27	48.5 Å²	48.5	14%	0.138	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.3	-178	71.2	168.2	0	0	0	113.8	W151 L170 K171 Y238 N630	W151-I632 HydrophobicContact CD2-CG1 4.43Å; W151-I632 HydrophobicContact CE3-CD1 3.64Å; W151-I632 HydrophobicContact CE3-CG1 3.51Å; W151-I632 HydrophobicContact CH2-CG1 4.05Å; W151-I632 HydrophobicContact CZ3-CD1 3.87Å; W151-I632 HydrophobicContact CZ3-CG1 3.29Å; L170-I632 WeakPolarHBondContact O-CG2 3.09Å; L170-I632 PolarHBondContact O-N 3.28Å; L170-I632 VanDerWaalsContact O-N 3.14Å; K171-I632 HydrophobicContact CB-CG2 4.12Å; Y238-I632 HydrophobicContact CD1-CB 3.68Å; Y238-I632 HydrophobicContact CD1-CD1 3.98Å; Y238-I632 HydrophobicContact CD1-CG1 4.42Å; Y238-I632 HydrophobicContact CD1-CG2 3.73Å; Y238-I632 HydrophobicContact CD2-CG2 3.89Å; Y238-I632 HydrophobicContact CE1-CD1 4.11Å; Y238-I632 HydrophobicContact CE1-CG2 4.42Å; Y238-I632 HydrophobicContact CG-CB 3.75Å; Y238-I632 HydrophobicContact CG-CG2 3.43Å; Y238-I632 VanDerWaalsContact CG-CG2 3.43Å; N630-I632 PolarHBondContact O-N 2.73Å
633	S	91.1	Very high	93.2	Very high	33 Å²	33	44.9 Å²	44.9	23%	0.231	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	98.7	177.9	-72.5	0	0	0	0	111.4	W151 N630 D631	W151-S633 WeakPolarHBondContact CH2-OG 3.47Å; W151-S633 WeakPolarHBondContact CZ3-OG 3.49Å; N630-S633 PolarHBondContact N-O 3.46Å; N630-S633 PolarHBondContact O-N 2.74Å; D631-S633 PolarHBondContact O-N 3.34Å
634	V	93.8	Very high	93.7	Very high	16 Å²	16	44.2 Å²	44.2	10%	0.097	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	126	162.2	-171	0	0	0	0	108.6	P167 M627 K628 Y629	P167-V634 HydrophobicContact CB-CG1 4.07Å; P167-V634 HydrophobicContact CG-CG1 3.99Å; M627-V634 HydrophobicContact CE-CG1 3.8Å; K628-V634 WeakPolarHBondContact O-CA 3.41Å; Y629-V634 HydrophobicContact CD1-CB 4.29Å; Y629-V634 HydrophobicContact CD1-CG1 3.83Å; Y629-V634 HydrophobicContact CD1-CG2 3.53Å; Y629-V634 HydrophobicContact CD2-CG1 4.36Å; Y629-V634 HydrophobicContact CE1-CB 4.44Å; Y629-V634 HydrophobicContact CE1-CG1 3.69Å; Y629-V634 HydrophobicContact CE1-CG2 3.84Å; Y629-V634 HydrophobicContact CE2-CG1 4.2Å; Y629-V634 HydrophobicContact CG-CG1 4.18Å; Y629-V634 HydrophobicContact CG-CG2 4.32Å
635	T	93.7	Very high	94	Very high	41 Å²	41	35 Å²	35	25%	0.252	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.6	-176.7	49.9	0	0	0	0	112	M627 K628	M627-T635 CarbonylContact C-O 3.6Å; M627-T635 WeakPolarHBondContact CA-O 3.45Å; K628-T635 PolarHBondContact N-O 2.97Å; K628-T635 PolarHBondContact O-N 3Å; K628-T635 PolarHBondContact O-OG1 2.88Å
636	K	93.7	Very high	94	Very high	138 Å²	138	33.6 Å²	33.6	60%	0.6	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	142.4	172.3	-60.6	-163.1	169.5	-166.7	0	110.1	M627	M627-K636 HydrophobicContact CE-CG 4.18Å; M627-K636 HydrophobicContact SD-CB 4.31Å; M627-K636 HydrophobicContact SD-CG 3.8Å
637	S	94.9	Very high	93.9	Very high	17 Å²	17	33.3 Å²	33.3	12%	0.119	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	170.7	-174.6	178.5	0	0	0	0	110.4	Y617 W626 E641	Y617-S637 VanDerWaalsContact CE1-OG 3.3Å; Y617-S637 WeakPolarHBondContact CE1-OG 3.35Å; W626-S637 CarbonylContact O-C 3.57Å; W626-S637 WeakPolarHBondContact O-CA 3.42Å; W626-S637 PolarHBondContact O-N 3.15Å; S637-E641 PolarHBondContact OG-OE2 3.15Å; S637-E641 VanDerWaalsContact OG-OE2 3.09Å
638	S	94.4	Very high	93.5	Very high	42 Å²	42	33.1 Å²	33.1	29%	0.294	17%	0.165	S	C	.	.			trans	-119.4	174.1	175.8	86.4	0	0	0	0	112.1	E640 E641 L642	S638-E640 WeakPolarHBondContact CB-OE2 3.32Å; S638-E640 PolarHBondContact O-N 2.99Å; S638-E640 PolarHBondContact OG-N 3.48Å; S638-E640 PolarHBondContact OG-OE2 3.07Å; S638-E641 PolarHBondContact OG-N 3.23Å; S638-L642 PolarHBondContact O-N 2.98Å
639	W	94.5	Very high	92.6	Very high	73 Å²	73	34.9 Å²	34.9	28%	0.277	19%	0.188	S	C	.	.	H	α-helix	trans	-66.1	-31.8	173.9	176.5	-108.6	0	0	0	111.4	F395 L599 W626 L642 V643	F395-W639 HydrophobicContact CD2-CH2 4.49Å; F395-W639 HydrophobicContact CE2-CH2 4.41Å; L599-W639 HydrophobicContact CD2-CH2 4.21Å; L599-W639 HydrophobicContact CD2-CZ3 3.86Å; W626-W639 HydrophobicContact CZ2-CE3 4.14Å; W626-W639 HydrophobicContact CZ2-CZ3 4.07Å; W626-W639 AromaticContact NE1-CE3 3.66Å; W639-L642 HydrophobicContact CE3-CD1 4.18Å; W639-L642 HydrophobicContact CE3-CD2 4.2Å; W639-L642 HydrophobicContact CZ3-CD1 4.23Å; W639-L642 HydrophobicContact CZ3-CD2 3.97Å; W639-L642 PolarHBondContact O-N 3.07Å; W639-V643 HydrophobicContact CD2-CG2 4.1Å; W639-V643 HydrophobicContact CG-CG2 4.38Å; W639-V643 HydrophobicContact CZ2-CG2 3.94Å; W639-V643 WeakPolarHBondContact O-CB 3.35Å; W639-V643 VanDerWaalsContact O-CG2 3.23Å; W639-V643 WeakPolarHBondContact O-CG2 3.32Å; W639-V643 PolarHBondContact O-N 3Å
640	E	93.8	Very high	91.2	Very high	116 Å²	116	41.4 Å²	41.4	54%	0.542	21%	0.213	S	C	.	.	H	α-helix	trans	-71.8	-41.9	-178.9	-57.3	67	-142.8	0	0	111.6	S638 V643 R644	S638-E640 WeakPolarHBondContact CB-OE2 3.32Å; S638-E640 PolarHBondContact O-N 2.99Å; S638-E640 PolarHBondContact OG-N 3.48Å; S638-E640 PolarHBondContact OG-OE2 3.07Å; E640-V643 PolarHBondContact O-N 3.29Å; E640-R644 WeakPolarHBondContact O-CB 3.31Å; E640-R644 PolarHBondContact O-N 3.12Å
641	E	93.2	Very high	90.2	Very high	20 Å²	20	44.8 Å²	44.8	9%	0.093	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-44.5	170.6	169.8	168.5	-153.6	0	0	110.9	Y617 K628 S637 S638 R644 D645	Y617-E641 HydrophobicContact CE1-CG 4Å; Y617-E641 VanDerWaalsContact OH-CG 3.28Å; Y617-E641 WeakPolarHBondContact OH-CG 3.42Å; K628-E641 WeakPolarHBondContact CD-OE1 3.09Å; K628-E641 IonicContact NZ-OE1 2.74Å; K628-E641 PolarHBondContact NZ-OE1 2.83Å; S637-E641 PolarHBondContact OG-OE2 3.15Å; S637-E641 VanDerWaalsContact OG-OE2 3.09Å; S638-E641 PolarHBondContact OG-N 3.23Å; E641-R644 PolarHBondContact O-N 2.71Å; E641-D645 PolarHBondContact O-N 3.2Å
642	L	94.6	Very high	89.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-53.8	175.9	-178.4	164.7	0	0	0	110.5	F395 V602 Y617 W626 S638 W639 R644 D645 S646	F395-L642 HydrophobicContact CE2-CD2 3.97Å; F395-L642 HydrophobicContact CZ-CD2 4.01Å; V602-L642 HydrophobicContact CG2-CD1 4.25Å; V602-L642 HydrophobicContact CG2-CD2 4.33Å; Y617-L642 HydrophobicContact CD1-CB 4.2Å; Y617-L642 HydrophobicContact CD1-CG 4.48Å; Y617-L642 HydrophobicContact CD2-CB 4.31Å; Y617-L642 HydrophobicContact CD2-CG 3.99Å; Y617-L642 HydrophobicContact CE1-CB 4.41Å; Y617-L642 HydrophobicContact CG-CB 4.14Å; Y617-L642 HydrophobicContact CG-CD1 4.11Å; Y617-L642 HydrophobicContact CG-CG 3.93Å; W626-L642 HydrophobicContact CD2-CD1 3.5Å; W626-L642 HydrophobicContact CE3-CD1 3.47Å; W626-L642 VanDerWaalsContact CE3-CD1 3.47Å; W626-L642 HydrophobicContact CG-CD1 4.17Å; W626-L642 HydrophobicContact CH2-CD1 3.88Å; W626-L642 HydrophobicContact CZ2-CD1 3.9Å; W626-L642 HydrophobicContact CZ3-CD1 3.66Å; S638-L642 PolarHBondContact O-N 2.98Å; W639-L642 HydrophobicContact CE3-CD1 4.18Å; W639-L642 HydrophobicContact CE3-CD2 4.2Å; W639-L642 HydrophobicContact CZ3-CD1 4.23Å; W639-L642 HydrophobicContact CZ3-CD2 3.97Å; W639-L642 PolarHBondContact O-N 3.07Å; L642-R644 VanDerWaalsContact C-N 3.33Å; L642-R644 PolarHBondContact O-N 2.95Å; L642-D645 PolarHBondContact O-N 3.4Å; L642-S646 WeakPolarHBondContact O-CB 3.44Å; L642-S646 PolarHBondContact O-N 2.78Å; L642-S646 PolarHBondContact O-OG 3.27Å
643	V	94.3	Very high	89.5	Confident	28 Å²	28	48.4 Å²	48.4	17%	0.17	24%	0.243	C	C	.	.	H	α-helix	trans	-56.4	-45.3	-179.6	162	0	0	0	0	111.8	W639 E640 D645 S646 F647	W639-V643 HydrophobicContact CD2-CG2 4.1Å; W639-V643 HydrophobicContact CG-CG2 4.38Å; W639-V643 HydrophobicContact CZ2-CG2 3.94Å; W639-V643 WeakPolarHBondContact O-CB 3.35Å; W639-V643 VanDerWaalsContact O-CG2 3.23Å; W639-V643 WeakPolarHBondContact O-CG2 3.32Å; W639-V643 PolarHBondContact O-N 3Å; E640-V643 PolarHBondContact O-N 3.29Å; V643-D645 PolarHBondContact O-N 2.64Å; V643-S646 PolarHBondContact O-N 3.49Å; V643-F647 HydrophobicContact CG1-CD1 4.47Å; V643-F647 HydrophobicContact CG1-CD2 3.69Å; V643-F647 HydrophobicContact CG1-CE2 3.8Å; V643-F647 HydrophobicContact CG1-CG 4.07Å; V643-F647 HydrophobicContact CG1-CZ 4.26Å; V643-F647 HydrophobicContact CG2-CD1 4.46Å; V643-F647 HydrophobicContact CG2-CE1 3.94Å; V643-F647 HydrophobicContact CG2-CE2 4.13Å; V643-F647 HydrophobicContact CG2-CZ 3.76Å; V643-F647 WeakPolarHBondContact O-CB 3.45Å; V643-F647 PolarHBondContact O-N 2.72Å
644	R	91.6	Very high	89.6	Confident	58 Å²	58	47 Å²	47	22%	0.219	23%	0.233	C	C	.	.	H	α-helix	trans	-59.1	-45.8	179.9	176.2	179.1	62.1	-138.4	-2	112.9	E138 E640 E641 L642	E138-R644 IonicContact OE1-CZ 3.67Å; E138-R644 VanDerWaalsContact OE1-CZ 3.31Å; E138-R644 IonicContact OE1-NH1 2.73Å; E138-R644 PolarHBondContact OE1-NH1 2.97Å; E138-R644 IonicContact OE1-NH2 2.85Å; E138-R644 PolarHBondContact OE1-NH2 3.32Å; E138-R644 IonicContact OE2-CZ 3.17Å; E138-R644 IonicContact OE2-NH1 3.92Å; E138-R644 PolarHBondContact OE2-NH1 3.11Å; E138-R644 IonicContact OE2-NH2 3.16Å; E640-R644 WeakPolarHBondContact O-CB 3.31Å; E640-R644 PolarHBondContact O-N 3.12Å; E641-R644 PolarHBondContact O-N 2.71Å; L642-R644 VanDerWaalsContact C-N 3.33Å; L642-R644 PolarHBondContact O-N 2.95Å
645	D	92.4	Very high	89.6	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-83.4	-20.5	-178.9	-72.4	2.9	0	0	0	112.3	V604 W615 Y617 K628 E641 L642 V643 R651 A653 S654	V604-D645 WeakPolarHBondContact CG1-O 3.33Å; W615-D645 HydrophobicContact CZ2-CB 4.22Å; Y617-D645 HydrophobicContact CE2-CB 4.11Å; Y617-D645 PolarHBondContact OH-OD2 3.04Å; K628-D645 IonicContact NZ-OD2 2.79Å; K628-D645 PolarHBondContact NZ-OD2 3.14Å; E641-D645 PolarHBondContact O-N 3.2Å; L642-D645 PolarHBondContact O-N 3.4Å; V643-D645 PolarHBondContact O-N 2.64Å; D645-R651 IonicContact OD1-CZ 2.67Å; D645-R651 IonicContact OD1-NH1 2.66Å; D645-R651 PolarHBondContact OD1-NH1 3.31Å; D645-R651 IonicContact OD2-NH1 3.65Å; D645-A653 CarbonylContact O-C 3.19Å; D645-A653 WeakPolarHBondContact O-CB 3.26Å; D645-S654 PolarHBondContact O-N 3.45Å
646	S	94.1	Very high	89.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-103.9	-37.1	-168.5	-56.3	0	0	0	0	115.8	V604 L642 V643 G648 A655	V604-S646 WeakPolarHBondContact CG2-OG 3.38Å; L642-S646 WeakPolarHBondContact O-CB 3.44Å; L642-S646 PolarHBondContact O-N 2.78Å; L642-S646 PolarHBondContact O-OG 3.27Å; V643-S646 PolarHBondContact O-N 3.49Å; S646-G648 VanDerWaalsContact C-N 3.26Å; S646-G648 PolarHBondContact O-N 3.34Å; S646-A655 WeakPolarHBondContact O-CB 3.48Å; S646-A655 PolarHBondContact O-N 3.43Å
647	F	93.9	Very high	89.4	Confident	13 Å²	13	38.4 Å²	38.4	6%	0.057	19%	0.191	C	C	.	.	S	Bend	trans	-70.3	-25.2	-173.6	-77.8	10.8	0	0	0	112.6	R376 K392 L393 E394 F395 V643	R376-F647 PolarHBondContact NH2-O 3.49Å; K392-F647 WeakPolarHBondContact CA-O 3.38Å; K392-F647 HydrophobicContact CG-CB 4.05Å; L393-F647 PolarHBondContact N-O 3.27Å; L393-F647 WeakPolarHBondContact O-CA 3.48Å; L393-F647 WeakPolarHBondContact O-CB 3.36Å; L393-F647 WeakPolarHBondContact O-CD1 3.2Å; L393-F647 VanDerWaalsContact O-CG 3.29Å; L393-F647 WeakPolarHBondContact O-CG 3.46Å; E394-F647 HydrophobicContact CB-CD2 4.11Å; E394-F647 HydrophobicContact CB-CE2 3.65Å; E394-F647 HydrophobicContact CB-CZ 4.08Å; E394-F647 HydrophobicContact CG-CD2 3.77Å; E394-F647 HydrophobicContact CG-CE2 3.67Å; F395-F647 AromaticContact CD1-CD1 3.82Å; F395-F647 HydrophobicContact CD1-CD1 3.82Å; F395-F647 AromaticContact CD1-CE1 3.7Å; F395-F647 HydrophobicContact CD1-CE1 3.7Å; F395-F647 HydrophobicContact CD2-CE1 4Å; F395-F647 AromaticContact CE1-CD1 3.47Å; F395-F647 HydrophobicContact CE1-CD1 3.47Å; F395-F647 VanDerWaalsContact CE1-CD1 3.47Å; F395-F647 AromaticContact CE1-CE1 3.64Å; F395-F647 HydrophobicContact CE1-CE1 3.64Å; F395-F647 HydrophobicContact CE2-CD1 4.48Å; F395-F647 AromaticContact CE2-CE1 3.92Å; F395-F647 HydrophobicContact CE2-CE1 3.92Å; F395-F647 HydrophobicContact CG-CD1 4.47Å; F395-F647 AromaticContact CG-CE1 3.89Å; F395-F647 HydrophobicContact CG-CE1 3.89Å; F395-F647 AromaticContact CZ-CD1 3.85Å; F395-F647 HydrophobicContact CZ-CD1 3.85Å; F395-F647 AromaticContact CZ-CE1 3.75Å; F395-F647 HydrophobicContact CZ-CE1 3.75Å; V643-F647 HydrophobicContact CG1-CD1 4.47Å; V643-F647 HydrophobicContact CG1-CD2 3.69Å; V643-F647 HydrophobicContact CG1-CE2 3.8Å; V643-F647 HydrophobicContact CG1-CG 4.07Å; V643-F647 HydrophobicContact CG1-CZ 4.26Å; V643-F647 HydrophobicContact CG2-CD1 4.46Å; V643-F647 HydrophobicContact CG2-CE1 3.94Å; V643-F647 HydrophobicContact CG2-CE2 4.13Å; V643-F647 HydrophobicContact CG2-CZ 3.76Å; V643-F647 WeakPolarHBondContact O-CB 3.45Å; V643-F647 PolarHBondContact O-N 2.72Å
648	G	85.7	Confident	89.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	87.8	167.6	-170.9	0	0	0	0	0	112.5	S646 Y650	S646-G648 VanDerWaalsContact C-N 3.26Å; S646-G648 PolarHBondContact O-N 3.34Å; G648-Y650 VanDerWaalsContact C-N 3.3Å; G648-Y650 PolarHBondContact O-N 2.92Å
649	G	78.2	Confident	89.5	Confident	54 Å²	54	36.1 Å²	36.1	56%	0.557	17%	0.174	S	C	*	.	S	Bend	trans	84.3	-13.8	177.2	0	0	0	0	0	116	H390	H390-G649 VanDerWaalsContact O-CA 3.27Å; H390-G649 WeakPolarHBondContact O-CA 3.3Å; H390-G649 PolarHBondContact O-N 3.29Å
650	Y	66.8	Low	89.7	Confident	145 Å²	145	32.7 Å²	32.7	57%	0.569	16%	0.161	S	C	*	.	S	Bend	trans	-101.9	-23.9	175.9	-62.2	-73.8	0	0	0	114	G648	G648-Y650 VanDerWaalsContact C-N 3.3Å; G648-Y650 PolarHBondContact O-N 2.92Å
651	R	72.9	Confident	89.8	Confident	111 Å²	111	27.5 Å²	27.5	42%	0.419	14%	0.137	S	C	.	.	S	Bend	trans	-151.1	177.2	-175.5	-73.3	-173.8	166.8	165.9	-10.1	110.5	D645 A653	D645-R651 IonicContact OD1-CZ 2.67Å; D645-R651 IonicContact OD1-NH1 2.66Å; D645-R651 PolarHBondContact OD1-NH1 3.31Å; D645-R651 IonicContact OD2-NH1 3.65Å; R651-A653 HydrophobicContact CB-CB 4.22Å
652	N	82.9	Confident	89.9	Confident	108 Å²	108	27.6 Å²	27.6	58%	0.578	14%	0.138	S	C	*	.	S	Bend	trans	-74.7	-19.5	172.8	-62.5	-15.2	0	0	0	111.8	K388 E606	K388-N652 PolarHBondContact NZ-O 3.22Å; E606-N652 HydrophobicContact CG-CB 3.91Å; E606-N652 WeakPolarHBondContact OE1-CB 3.44Å; E606-N652 PolarHBondContact OE1-N 2.86Å
653	A	89.5	Confident	89.8	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	144.4	166.5	0	0	0	0	0	114.1	V604 H605 E606 W615 D645 R651	V604-A653 HydrophobicContact CG1-CB 3.97Å; H605-A653 WeakPolarHBondContact O-CA 3.4Å; E606-A653 HydrophobicContact CB-CB 4.02Å; E606-A653 HydrophobicContact CG-CB 4.38Å; E606-A653 PolarHBondContact OE1-N 3.27Å; W615-A653 HydrophobicContact CH2-CB 3.86Å; W615-A653 HydrophobicContact CZ2-CB 4Å; D645-A653 CarbonylContact O-C 3.19Å; D645-A653 WeakPolarHBondContact O-CB 3.26Å; R651-A653 HydrophobicContact CB-CB 4.22Å
654	S	92.3	Very high	89.6	Confident	3 Å²	3	35 Å²	35	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	149.9	169.4	63.4	0	0	0	0	111.2	R376 K388 H605 D645	R376-S654 VanDerWaalsContact CD-OG 3.32Å; R376-S654 WeakPolarHBondContact CD-OG 3.27Å; K388-S654 WeakPolarHBondContact CE-OG 3.45Å; H605-S654 PolarHBondContact N-O 3.2Å; H605-S654 PolarHBondContact O-N 3.14Å; D645-S654 PolarHBondContact O-N 3.45Å
655	A	93.8	Very high	89.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	136.9	169.8	0	0	0	0	0	111.6	L374 R376 F395 V602 L603 S646 L658	L374-A655 HydrophobicContact CD1-CB 3.9Å; R376-A655 PolarHBondContact NE-O 3.49Å; R376-A655 VanDerWaalsContact NE-O 3.09Å; F395-A655 HydrophobicContact CE1-CB 3.95Å; F395-A655 HydrophobicContact CZ-CB 4.35Å; V602-A655 HydrophobicContact CG1-CB 3.71Å; L603-A655 WeakPolarHBondContact O-CA 3.46Å; S646-A655 WeakPolarHBondContact O-CB 3.48Å; S646-A655 PolarHBondContact O-N 3.43Å; A655-L658 HydrophobicContact CB-CD2 4.16Å
656	Y	89.3	Confident	88.7	Confident	10 Å²	10	38.6 Å²	38.6	4%	0.039	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-35.9	176.8	176.2	-82	0	0	0	111.6	D261 V262 S263 E373 L374 L603	D261-Y656 WeakPolarHBondContact OD1-CE2 3.48Å; D261-Y656 PolarHBondContact OD1-OH 3.05Å; D261-Y656 WeakPolarHBondContact OD2-CE2 3.49Å; D261-Y656 PolarHBondContact OD2-OH 2.83Å; V262-Y656 HydrophobicContact CB-CD1 4.08Å; V262-Y656 HydrophobicContact CB-CE1 3.71Å; V262-Y656 HydrophobicContact CG1-CE1 4.44Å; S263-Y656 WeakPolarHBondContact CB-OH 3.48Å; S263-Y656 PolarHBondContact N-OH 3.23Å; S263-Y656 VanDerWaalsContact N-OH 3.11Å; E373-Y656 HydrophobicContact CG-CE1 4.16Å; L374-Y656 PolarHBondContact N-O 3.46Å; L603-Y656 PolarHBondContact O-N 2.85Å
657	C	93.6	Very high	88.1	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.034	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.2	175.6	178.3	0	0	0	0	111.4	F372 L603	F372-C657 VanDerWaalsContact O-CA 3.3Å; F372-C657 WeakPolarHBondContact O-CA 3.2Å; L603-C657 HydrophobicContact CB-CB 4.23Å; L603-C657 HydrophobicContact CD1-CB 4.41Å; L603-C657 PolarHBondContact N-O 2.84Å; L603-C657 PolarHBondContact O-N 2.82Å
658	L	96.9	Very high	87.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.9	173.7	-52.8	-180	0	0	0	109.3	L332 T371 F372 L374 F395 L599 V602 A655 Y660	L332-L658 HydrophobicContact CD1-CD1 4.2Å; L332-L658 HydrophobicContact CD2-CD1 3.89Å; T371-L658 WeakPolarHBondContact CA-O 3.48Å; F372-L658 HydrophobicContact CB-CB 4.4Å; F372-L658 PolarHBondContact N-O 3.29Å; F372-L658 PolarHBondContact O-N 3.26Å; L374-L658 HydrophobicContact CD1-CD1 4.06Å; L374-L658 HydrophobicContact CD1-CD2 4.12Å; L374-L658 HydrophobicContact CD1-CG 3.85Å; L374-L658 HydrophobicContact CD2-CD1 4.39Å; L374-L658 HydrophobicContact CG-CG 4.29Å; F395-L658 HydrophobicContact CB-CD1 3.76Å; F395-L658 HydrophobicContact CD1-CD1 3.93Å; F395-L658 HydrophobicContact CD1-CD2 3.94Å; F395-L658 HydrophobicContact CD2-CD1 4.15Å; F395-L658 HydrophobicContact CD2-CD2 4Å; F395-L658 HydrophobicContact CE1-CD2 3.74Å; F395-L658 HydrophobicContact CE2-CD2 3.83Å; F395-L658 HydrophobicContact CG-CD1 3.69Å; F395-L658 HydrophobicContact CG-CD2 4.06Å; F395-L658 HydrophobicContact CZ-CD2 3.68Å; L599-L658 HydrophobicContact CD1-CB 4.16Å; V602-L658 HydrophobicContact CB-CD2 4.43Å; V602-L658 HydrophobicContact CG1-CD2 3.93Å; V602-L658 HydrophobicContact CG2-CD2 3.95Å; A655-L658 HydrophobicContact CB-CD2 4.16Å; L658-Y660 HydrophobicContact CB-CD2 4.26Å; L658-Y660 HydrophobicContact CB-CE2 3.85Å; L658-Y660 HydrophobicContact CD1-CE2 4.1Å
659	M	96.3	Very high	87.1	Confident	11 Å²	11	44.2 Å²	44.2	5%	0.054	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.7	175.4	-56	-172.8	71.6	0	0	109.9	S185 L186 L189 F298 V369 T371 H600 A601 L603	S185-M659 VanDerWaalsContact CB-SD 3.58Å; L186-M659 HydrophobicContact CD2-CE 4.05Å; L189-M659 HydrophobicContact CD1-CE 4Å; F298-M659 HydrophobicContact CE1-CE 4.42Å; V369-M659 HydrophobicContact CG1-CE 4.16Å; T371-M659 HydrophobicContact CG2-CB 4.37Å; T371-M659 HydrophobicContact CG2-CE 3.92Å; T371-M659 HydrophobicContact CG2-CG 3.94Å; H600-M659 PolarHBondContact N-O 2.8Å; A601-M659 HydrophobicContact CB-CB 4.11Å; A601-M659 HydrophobicContact CB-CG 4.35Å; A601-M659 HydrophobicContact CB-SD 4.2Å; A601-M659 PolarHBondContact N-O 3.11Å; A601-M659 VanDerWaalsContact N-O 3.13Å; A601-M659 PolarHBondContact O-N 3.21Å; L603-M659 HydrophobicContact CD1-CG 4.3Å; L603-M659 HydrophobicContact CD1-SD 4.16Å
660	Y	97.4	Very high	87	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	146	175.9	-74.1	-93.9	0	0	0	111.2	L332 V369 L370 F372 P396 L399 R598 L599 L658	L332-Y660 HydrophobicContact CD2-CE2 3.94Å; L332-Y660 WeakPolarHBondContact CD2-OH 3.18Å; V369-Y660 CarbonylContact C-O 3.52Å; V369-Y660 WeakPolarHBondContact CA-O 3.48Å; L370-Y660 PolarHBondContact N-O 2.97Å; L370-Y660 PolarHBondContact O-N 3.45Å; F372-Y660 AromaticContact CD2-CD2 3.76Å; F372-Y660 HydrophobicContact CD2-CD2 3.76Å; F372-Y660 AromaticContact CD2-CE2 3.87Å; F372-Y660 HydrophobicContact CD2-CE2 3.87Å; F372-Y660 AromaticContact CE2-CD2 3.76Å; F372-Y660 HydrophobicContact CE2-CD2 3.76Å; F372-Y660 AromaticContact CE2-CE2 3.99Å; F372-Y660 HydrophobicContact CE2-CE2 3.99Å; P396-Y660 WeakPolarHBondContact O-CE1 3.48Å; P396-Y660 PolarHBondContact O-OH 2.88Å; L399-Y660 HydrophobicContact CB-CD1 3.98Å; L399-Y660 HydrophobicContact CB-CE1 3.62Å; L399-Y660 HydrophobicContact CD2-CD2 4.47Å; L399-Y660 HydrophobicContact CD2-CE1 4.41Å; L399-Y660 HydrophobicContact CD2-CE2 4.25Å; R598-Y660 CarbonylContact O-C 3.53Å; R598-Y660 VanDerWaalsContact O-CA 3.28Å; R598-Y660 WeakPolarHBondContact O-CA 3.42Å; L599-Y660 HydrophobicContact CB-CD1 4Å; L599-Y660 HydrophobicContact CB-CE1 3.69Å; L599-Y660 HydrophobicContact CD1-CD1 4.17Å; L599-Y660 HydrophobicContact CD1-CD2 3.94Å; L599-Y660 HydrophobicContact CD1-CE1 3.83Å; L599-Y660 HydrophobicContact CD1-CE2 3.6Å; L599-Y660 HydrophobicContact CD1-CG 4.21Å; L599-Y660 HydrophobicContact CG-CE1 4.34Å; L658-Y660 HydrophobicContact CB-CD2 4.26Å; L658-Y660 HydrophobicContact CB-CE2 3.85Å; L658-Y660 HydrophobicContact CD1-CE2 4.1Å
661	I	96.1	Very high	87.2	Confident	7 Å²	7	42 Å²	42	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.8	173.9	58.8	175	0	0	0	111.2	L189 P368 V369 Y597 R598 H600 D663 L668 I669	L189-I661 HydrophobicContact CD2-CG2 3.53Å; P368-I661 WeakPolarHBondContact O-CA 3.36Å; V369-I661 HydrophobicContact CG1-CG2 4.49Å; V369-I661 HydrophobicContact CG2-CG2 4.33Å; Y597-I661 CarbonylContact C-O 3.48Å; Y597-I661 VanDerWaalsContact CA-O 3.29Å; Y597-I661 WeakPolarHBondContact CA-O 3.17Å; R598-I661 HydrophobicContact CB-CG1 4.13Å; R598-I661 PolarHBondContact N-O 3.47Å; R598-I661 PolarHBondContact O-N 3.37Å; H600-I661 HydrophobicContact CB-CB 4.48Å; H600-I661 HydrophobicContact CB-CD1 4.26Å; H600-I661 HydrophobicContact CB-CG1 4.11Å; H600-I661 HydrophobicContact CB-CG2 3.77Å; I661-D663 PolarHBondContact O-N 3.29Å; I661-L668 HydrophobicContact CB-CD1 4.03Å; I661-L668 HydrophobicContact CG2-CD1 4.41Å; I661-I669 HydrophobicContact CD1-CG2 3.5Å; I661-I669 VanDerWaalsContact CD1-CG2 3.5Å
662	N	95.5	Very high	86.9	Confident	22 Å²	22	40.1 Å²	40.1	12%	0.118	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	111.8	179.4	-169.5	-58.5	0	0	0	110.7	P368 Y597 K664 K665	P368-N662 PolarHBondContact O-N 2.96Å; Y597-N662 HydrophobicContact CD1-CB 4.28Å; Y597-N662 HydrophobicContact CE1-CB 3.71Å; Y597-N662 HydrophobicContact CE2-CB 4.37Å; Y597-N662 WeakPolarHBondContact CE2-ND2 3.44Å; Y597-N662 VanDerWaalsContact CZ-ND2 3.29Å; Y597-N662 PolarHBondContact OH-ND2 2.96Å; N662-K664 PolarHBondContact O-N 3.13Å; N662-K664 WeakPolarHBondContact OD1-CB 3.43Å; N662-K664 PolarHBondContact OD1-N 3.37Å; N662-K664 VanDerWaalsContact OD1-N 3.11Å; N662-K665 HydrophobicContact CB-CB 4.28Å; N662-K665 HydrophobicContact CB-CD 4.17Å; N662-K665 HydrophobicContact CB-CG 4.24Å; N662-K665 PolarHBondContact O-N 3.01Å
663	D	92.2	Very high	86.2	Confident	63 Å²	63	40.7 Å²	40.7	34%	0.337	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.3	-172.5	-162.4	64.8	0	0	0	113	M398 P596 R598 I661	M398-D663 HydrophobicContact CE-CB 4.03Å; P596-D663 HydrophobicContact CB-CB 4.02Å; P596-D663 HydrophobicContact CG-CB 4.06Å; P596-D663 PolarHBondContact O-N 3.14Å; R598-D663 HydrophobicContact CB-CB 4.48Å; R598-D663 IonicContact CZ-OD1 3.84Å; R598-D663 IonicContact NE-OD1 2.66Å; R598-D663 PolarHBondContact NE-OD1 3.42Å; R598-D663 IonicContact NH2-OD1 3.52Å; R598-D663 PolarHBondContact NH2-OD1 3.31Å; R598-D663 IonicContact NH2-OD2 2.71Å; I661-D663 PolarHBondContact O-N 3.29Å
664	K	91.2	Very high	85	Confident	122 Å²	122	43 Å²	43	53%	0.53	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	2.8	173.1	-63.7	-176.6	168.4	-178.6	0	113.9	Q594 P596 N662 P666	Q594-K664 WeakPolarHBondContact O-CE 3.25Å; Q594-K664 PolarHBondContact O-NZ 2.84Å; P596-K664 HydrophobicContact CG-CG 4.18Å; N662-K664 PolarHBondContact O-N 3.13Å; N662-K664 WeakPolarHBondContact OD1-CB 3.43Å; N662-K664 PolarHBondContact OD1-N 3.37Å; N662-K664 VanDerWaalsContact OD1-N 3.11Å; K664-P666 WeakPolarHBondContact O-CD 3.17Å
665	K	88.2	Confident	83.8	Confident	71 Å²	71	52.8 Å²	52.8	31%	0.309	25%	0.249	S	C	.	.			trans	-118.2	77.5	178.8	-71.8	-174.7	175.8	-179.4	0	110.3	P368 N662 F667 L668	P368-K665 HydrophobicContact CB-CD 3.85Å; P368-K665 HydrophobicContact CG-CD 4.17Å; N662-K665 HydrophobicContact CB-CB 4.28Å; N662-K665 HydrophobicContact CB-CD 4.17Å; N662-K665 HydrophobicContact CB-CG 4.24Å; N662-K665 PolarHBondContact O-N 3.01Å; K665-F667 VanDerWaalsContact C-N 3.29Å; K665-F667 HydrophobicContact CB-CD1 4.13Å; K665-F667 HydrophobicContact CB-CE1 3.62Å; K665-F667 HydrophobicContact CB-CZ 4.16Å; K665-F667 HydrophobicContact CD-CE1 4.02Å; K665-F667 HydrophobicContact CD-CZ 4.08Å; K665-F667 HydrophobicContact CG-CE1 3.89Å; K665-F667 HydrophobicContact CG-CZ 4.42Å; K665-F667 PolarHBondContact O-N 2.61Å; K665-L668 HydrophobicContact CB-CD1 3.93Å; K665-L668 HydrophobicContact CB-CG 4.26Å; K665-L668 WeakPolarHBondContact O-CG 3.42Å; K665-L668 PolarHBondContact O-N 3.33Å
666	P	76.6	Confident	82.3	Confident	65 Å²	65	61.9 Å²	61.9	42%	0.422	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-68.9	-23.3	-168.2	30.5	-38	0	0	0	113.9	K664 L668 I669 E670	K664-P666 WeakPolarHBondContact O-CD 3.17Å; P666-L668 PolarHBondContact O-N 3.15Å; P666-I669 WeakPolarHBondContact O-CG1 3.48Å; P666-I669 PolarHBondContact O-N 3.08Å; P666-E670 HydrophobicContact CB-CG 4.08Å; P666-E670 WeakPolarHBondContact O-CG 3.42Å; P666-E670 PolarHBondContact O-N 3.49Å
667	F	81.3	Confident	81	Confident	87 Å²	87	65.2 Å²	65.2	38%	0.382	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-53.8	-24.5	176.3	68	-96.9	0	0	0	114.5	E191 R194 K665 I669 E670	E191-F667 HydrophobicContact CB-CD2 4.34Å; E191-F667 HydrophobicContact CG-CD2 3.96Å; E191-F667 HydrophobicContact CG-CE2 4.05Å; R194-F667 PolarHBondContact NH1-O 3.45Å; K665-F667 VanDerWaalsContact C-N 3.29Å; K665-F667 HydrophobicContact CB-CD1 4.13Å; K665-F667 HydrophobicContact CB-CE1 3.62Å; K665-F667 HydrophobicContact CB-CZ 4.16Å; K665-F667 HydrophobicContact CD-CE1 4.02Å; K665-F667 HydrophobicContact CD-CZ 4.08Å; K665-F667 HydrophobicContact CG-CE1 3.89Å; K665-F667 HydrophobicContact CG-CZ 4.42Å; K665-F667 PolarHBondContact O-N 2.61Å; F667-I669 PolarHBondContact O-N 3.29Å; F667-E670 PolarHBondContact N-OE2 2.68Å
668	L	81	Confident	79.4	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-60.7	-25.8	174.9	-61.9	173.7	0	0	0	113.3	L190 E191 L297 P368 V369 I661 K665 P666	L190-L668 PolarHBondContact N-O 2.95Å; E191-L668 HydrophobicContact CB-CD2 4.25Å; L297-L668 HydrophobicContact CD1-CD2 3.62Å; P368-L668 HydrophobicContact CB-CD1 3.97Å; P368-L668 HydrophobicContact CB-CD2 3.99Å; V369-L668 HydrophobicContact CG2-CD2 4.39Å; I661-L668 HydrophobicContact CB-CD1 4.03Å; I661-L668 HydrophobicContact CG2-CD1 4.41Å; K665-L668 HydrophobicContact CB-CD1 3.93Å; K665-L668 HydrophobicContact CB-CG 4.26Å; K665-L668 WeakPolarHBondContact O-CG 3.42Å; K665-L668 PolarHBondContact O-N 3.33Å; P666-L668 PolarHBondContact O-N 3.15Å
669	I	77.1	Confident	77.8	Confident	43 Å²	43	74.2 Å²	74.2	22%	0.221	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-10.1	-172.4	57.6	169.1	0	0	0	114.8	P621 I661 P666 F667	P621-I669 HydrophobicContact CG-CB 4.04Å; P621-I669 HydrophobicContact CG-CG2 4.11Å; I661-I669 HydrophobicContact CD1-CG2 3.5Å; I661-I669 VanDerWaalsContact CD1-CG2 3.5Å; P666-I669 WeakPolarHBondContact O-CG1 3.48Å; P666-I669 PolarHBondContact O-N 3.08Å; F667-I669 PolarHBondContact O-N 3.29Å
670	E	76.6	Confident	76.4	Confident	106 Å²	106	77.9 Å²	77.9	50%	0.495	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-69.9	144.9	168.5	-74.1	172.3	147.8	0	0	110.3	R194 P666 F667	R194-E670 PolarHBondContact NH2-O 3.02Å; P666-E670 HydrophobicContact CB-CG 4.08Å; P666-E670 WeakPolarHBondContact O-CG 3.42Å; P666-E670 PolarHBondContact O-N 3.49Å; F667-E670 PolarHBondContact N-OE2 2.68Å
671	E	70.8	Confident	75.1	Confident	45 Å²	45	79.4 Å²	79.4	21%	0.21	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-84.6	162.6	173.3	-77.3	-178.1	118.4	0	0	112.4	L190 H622 I680 K686	L190-E671 HydrophobicContact CD1-CG 3.74Å; H622-E671 IonicContact CE1-OE2 2.74Å; H622-E671 PolarHBondContact CE1-OE2 3.34Å; H622-E671 IonicContact ND1-OE2 3.74Å; H622-E671 IonicContact NE2-OE2 3.17Å; E671-I680 HydrophobicContact CB-CG2 3.74Å; E671-I680 HydrophobicContact CG-CG2 4.43Å; E671-I680 WeakPolarHBondContact OE2-CG2 3.36Å; E671-K686 WeakPolarHBondContact OE1-CE 3.46Å; E671-K686 IonicContact OE1-NZ 2.77Å; E671-K686 PolarHBondContact OE1-NZ 3.12Å
672	E	66.4	Low	73.8	Confident	73 Å²	73	82.6 Å²	82.6	34%	0.341	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-78.7	147.7	174.6	-63	-162.1	164.2	0	0	112.3	R194 L681	R194-E672 WeakPolarHBondContact CD-OE1 3.45Å; R194-E672 WeakPolarHBondContact CG-OE1 3.26Å; R194-E672 VanDerWaalsContact NE-CG 3.28Å; R194-E672 IonicContact NE-OE1 3.9Å; R194-E672 PolarHBondContact NE-OE1 3.31Å; E672-L681 HydrophobicContact CB-CD1 3.98Å; E672-L681 PolarHBondContact O-N 3.27Å
673	F	67.4	Low	73	Confident	119 Å²	119	83.1 Å²	83.1	52%	0.522	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-108	139.4	173.2	-63.7	-97.8	0	0	0	110.3	K675 Q679 I680	F673-K675 PolarHBondContact O-N 3.43Å; F673-Q679 CarbonylContact C-O 3.45Å; F673-Q679 WeakPolarHBondContact CA-O 3.42Å; F673-I680 HydrophobicContact CD1-CG1 3.89Å; F673-I680 HydrophobicContact CE1-CD1 4.22Å; F673-I680 HydrophobicContact CE1-CG1 3.46Å; F673-I680 VanDerWaalsContact CE1-CG1 3.46Å; F673-I680 HydrophobicContact CZ-CD1 4.46Å; F673-I680 HydrophobicContact CZ-CG1 3.99Å
674	D	64.2	Low	72.5	Confident	50 Å²	50	82.4 Å²	82.4	27%	0.267	43%	0.425	S	S	.	.			trans	-58.2	128.5	168.6	-178.8	-29.7	0	0	0	109.9	E676 T677 G678 Q679 L681	D674-E676 VanDerWaalsContact C-N 3.3Å; D674-E676 PolarHBondContact O-N 3.08Å; D674-E676 WeakPolarHBondContact OD1-CA 3.45Å; D674-E676 PolarHBondContact OD1-N 3.27Å; D674-T677 VanDerWaalsContact CB-OG1 3.23Å; D674-T677 WeakPolarHBondContact CB-OG1 3.28Å; D674-T677 PolarHBondContact OD1-N 3.3Å; D674-T677 WeakPolarHBondContact OD2-CB 3.5Å; D674-T677 VanDerWaalsContact OD2-CG2 3.25Å; D674-T677 WeakPolarHBondContact OD2-CG2 3.22Å; D674-T677 PolarHBondContact OD2-OG1 2.88Å; D674-G678 VanDerWaalsContact O-CA 3.26Å; D674-G678 WeakPolarHBondContact O-CA 3.39Å; D674-G678 PolarHBondContact O-N 3.32Å; D674-Q679 WeakPolarHBondContact CB-O 3.28Å; D674-Q679 PolarHBondContact N-O 3.2Å; D674-L681 HydrophobicContact CB-CD2 3.82Å; D674-L681 HydrophobicContact CB-CG 4.39Å
675	K	68.9	Low	72.1	Confident	209 Å²	209	81 Å²	81	91%	0.909	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-14.1	-174.5	-62.2	175.1	-171.6	171.1	0	113.5	F673	F673-K675 PolarHBondContact O-N 3.43Å
676	E	61.1	Low	71.8	Confident	190 Å²	190	79.6 Å²	79.6	89%	0.888	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-41.5	178.5	-60.2	-170.6	180	0	0	111.9	D674	D674-E676 VanDerWaalsContact C-N 3.3Å; D674-E676 PolarHBondContact O-N 3.08Å; D674-E676 WeakPolarHBondContact OD1-CA 3.45Å; D674-E676 PolarHBondContact OD1-N 3.27Å
677	T	63.1	Low	72.3	Confident	81 Å²	81	77.1 Å²	77.1	50%	0.497	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-19	-178.3	74.2	0	0	0	0	114.6	D674 Q679	D674-T677 VanDerWaalsContact CB-OG1 3.23Å; D674-T677 WeakPolarHBondContact CB-OG1 3.28Å; D674-T677 PolarHBondContact OD1-N 3.3Å; D674-T677 WeakPolarHBondContact OD2-CB 3.5Å; D674-T677 VanDerWaalsContact OD2-CG2 3.25Å; D674-T677 WeakPolarHBondContact OD2-CG2 3.22Å; D674-T677 PolarHBondContact OD2-OG1 2.88Å; T677-Q679 PolarHBondContact O-N 3.49Å; T677-Q679 PolarHBondContact OG1-N 3.2Å
678	G	60	Low	72.8	Confident	53 Å²	53	74 Å²	74	55%	0.546	39%	0.388	S	S	.	.			trans	69.3	9.4	-176.6	0	0	0	0	0	114.8	D674	D674-G678 VanDerWaalsContact O-CA 3.26Å; D674-G678 WeakPolarHBondContact O-CA 3.39Å; D674-G678 PolarHBondContact O-N 3.32Å
679	Q	63.2	Low	73.1	Confident	141 Å²	141	79.3 Å²	79.3	66%	0.659	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-87.2	158.5	176.8	-59	-170.5	8.8	0	0	111.1	F673 D674 T677 L681	F673-Q679 CarbonylContact C-O 3.45Å; F673-Q679 WeakPolarHBondContact CA-O 3.42Å; D674-Q679 WeakPolarHBondContact CB-O 3.28Å; D674-Q679 PolarHBondContact N-O 3.2Å; T677-Q679 PolarHBondContact O-N 3.49Å; T677-Q679 PolarHBondContact OG1-N 3.2Å; Q679-L681 PolarHBondContact O-N 2.9Å
680	I	67.2	Low	73.7	Confident	87 Å²	87	81.3 Å²	81.3	45%	0.446	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-70.3	126.8	175.3	-63.6	172.2	0	0	0	108.9	E671 F673 S682	E671-I680 HydrophobicContact CB-CG2 3.74Å; E671-I680 HydrophobicContact CG-CG2 4.43Å; E671-I680 WeakPolarHBondContact OE2-CG2 3.36Å; F673-I680 HydrophobicContact CD1-CG1 3.89Å; F673-I680 HydrophobicContact CE1-CD1 4.22Å; F673-I680 HydrophobicContact CE1-CG1 3.46Å; F673-I680 VanDerWaalsContact CE1-CG1 3.46Å; F673-I680 HydrophobicContact CZ-CD1 4.46Å; F673-I680 HydrophobicContact CZ-CG1 3.99Å; I680-S682 PolarHBondContact O-N 3.33Å
681	L	68.4	Low	74.4	Confident	33 Å²	33	76.4 Å²	76.4	17%	0.173	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-68.2	125.6	174.3	-66.5	177	0	0	0	109.3	E672 D674 Q679 D685 K686	E672-L681 HydrophobicContact CB-CD1 3.98Å; E672-L681 PolarHBondContact O-N 3.27Å; D674-L681 HydrophobicContact CB-CD2 3.82Å; D674-L681 HydrophobicContact CB-CG 4.39Å; Q679-L681 PolarHBondContact O-N 2.9Å; L681-D685 HydrophobicContact CD2-CB 4.17Å; L681-K686 HydrophobicContact CB-CG 3.99Å; L681-K686 WeakPolarHBondContact O-CE 3.5Å
682	S	70.3	Confident	75.4	Confident	73 Å²	73	77.5 Å²	77.5	51%	0.51	42%	0.415	S	S	.	.			trans	-127.5	147.7	-176.1	70.6	0	0	0	0	111.8	I680 M684 D685	I680-S682 PolarHBondContact O-N 3.33Å; S682-M684 PolarHBondContact O-N 3.22Å; S682-D685 WeakPolarHBondContact O-CB 3.28Å; S682-D685 PolarHBondContact O-N 3.14Å
683	G	77.9	Confident	76.6	Confident	34 Å²	34	78.2 Å²	78.2	35%	0.351	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	45.8	-121.8	178	0	0	0	0	0	113.9	V232 D685 K686	V232-G683 WeakPolarHBondContact CG1-O 3.27Å; G683-D685 PolarHBondContact O-N 3.36Å; G683-D685 VanDerWaalsContact O-N 3.1Å; G683-K686 PolarHBondContact O-N 2.73Å; G683-K686 VanDerWaalsContact O-N 3.15Å
684	M	82.5	Confident	77.9	Confident	47 Å²	47	75.9 Å²	75.9	23%	0.232	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-62	-13.7	-178	-67.2	-71.6	-83.3	0	0	114.7	S682 L687 K692 V695 K696	S682-M684 PolarHBondContact O-N 3.22Å; M684-L687 HydrophobicContact SD-CD1 3.79Å; M684-K692 HydrophobicContact CE-CG 4.15Å; M684-K692 WeakPolarHBondContact CE-O 3.38Å; M684-K692 VanDerWaalsContact O-CD 3.3Å; M684-K692 WeakPolarHBondContact O-CD 3.13Å; M684-K692 WeakPolarHBondContact O-CE 3.36Å; M684-K692 PolarHBondContact O-NZ 3.5Å; M684-V695 HydrophobicContact CE-CB 4.03Å; M684-V695 HydrophobicContact CE-CG1 4.07Å; M684-V695 HydrophobicContact SD-CB 3.93Å; M684-V695 HydrophobicContact SD-CG1 3.53Å; M684-V695 VanDerWaalsContact SD-CG1 3.53Å; M684-K696 HydrophobicContact CE-CB 4.15Å
685	D	82.2	Confident	79.3	Confident	92 Å²	92	73.5 Å²	73.5	49%	0.492	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-85.4	-11.1	178.1	-60	-41	0	0	0	113.3	L681 S682 G683 L687 K692	L681-D685 HydrophobicContact CD2-CB 4.17Å; S682-D685 WeakPolarHBondContact O-CB 3.28Å; S682-D685 PolarHBondContact O-N 3.14Å; G683-D685 PolarHBondContact O-N 3.36Å; G683-D685 VanDerWaalsContact O-N 3.1Å; D685-L687 VanDerWaalsContact C-N 3.29Å; D685-K692 IonicContact OD1-NZ 3.08Å; D685-K692 PolarHBondContact OD1-NZ 3.33Å
686	K	81.9	Confident	80.5	Confident	43 Å²	43	68 Å²	68	19%	0.187	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-78.5	-8.2	167.3	-61.1	-175.2	179.4	-178.9	0	113.9	E671 L681 G683	E671-K686 WeakPolarHBondContact OE1-CE 3.46Å; E671-K686 IonicContact OE1-NZ 2.77Å; E671-K686 PolarHBondContact OE1-NZ 3.12Å; L681-K686 HydrophobicContact CB-CG 3.99Å; L681-K686 WeakPolarHBondContact O-CE 3.5Å; G683-K686 PolarHBondContact O-N 2.73Å; G683-K686 VanDerWaalsContact O-N 3.15Å
687	L	87.7	Confident	82	Confident	12 Å²	12	63.9 Å²	63.9	6%	0.063	35%	0.351	C	S	.	.	S	Bend	trans	-96.7	130.6	-169.4	-63.4	-177.9	0	0	0	113.1	L197 V232 M684 D685 L691 K692 V695	L197-L687 HydrophobicContact CD1-CD2 4.13Å; L197-L687 HydrophobicContact CD2-CD2 3.86Å; V232-L687 HydrophobicContact CB-CD2 4.12Å; V232-L687 HydrophobicContact CG1-CD2 4.1Å; V232-L687 HydrophobicContact CG1-CG 4.24Å; V232-L687 HydrophobicContact CG2-CD2 4.43Å; M684-L687 HydrophobicContact SD-CD1 3.79Å; D685-L687 VanDerWaalsContact C-N 3.29Å; L687-L691 HydrophobicContact CB-CB 4.45Å; L687-K692 HydrophobicContact CB-CB 4Å; L687-V695 HydrophobicContact CD1-CB 4.23Å; L687-V695 HydrophobicContact CD1-CG2 3.92Å
688	P	90.2	Very high	83.5	Confident	21 Å²	21	61.5 Å²	61.5	14%	0.136	34%	0.335	C	S	.	.			trans	-51.1	152	164.3	-30.6	37.5	0	0	0	113.2	D690 L691 K692	P688-D690 VanDerWaalsContact C-N 3.3Å; P688-D690 WeakPolarHBondContact CB-OD1 3.44Å; P688-D690 PolarHBondContact O-N 3.44Å; P688-D690 VanDerWaalsContact O-N 3.16Å; P688-L691 HydrophobicContact CG-CD1 4.46Å; P688-L691 PolarHBondContact O-N 2.98Å; P688-L691 VanDerWaalsContact O-N 3.12Å; P688-K692 WeakPolarHBondContact O-CB 3.2Å; P688-K692 PolarHBondContact O-N 2.79Å
689	P	88.4	Confident	85.2	Confident	113 Å²	113	59.6 Å²	59.6	73%	0.734	31%	0.312	S	S	*	.	H	α-helix	trans	-59.5	-33.2	-168.4	-26.9	35.7	0	0	0	115.5	Q693	P689-Q693 PolarHBondContact O-N 3.07Å; P689-Q693 VanDerWaalsContact O-N 3.14Å
690	D	88.6	Confident	86.7	Confident	86 Å²	86	56.6 Å²	56.6	46%	0.46	30%	0.299	S	S	.	.	H	α-helix	trans	-68.6	-46.7	176.9	60.4	-34.5	0	0	0	111.6	R225 P688 Q693 Y694	R225-D690 IonicContact CZ-OD2 3.58Å; R225-D690 VanDerWaalsContact CZ-OD2 3.29Å; R225-D690 IonicContact NH1-OD2 3.51Å; R225-D690 PolarHBondContact NH1-OD2 2.82Å; R225-D690 IonicContact NH2-OD1 3.38Å; R225-D690 PolarHBondContact NH2-OD1 3.28Å; R225-D690 IonicContact NH2-OD2 3.87Å; R225-D690 PolarHBondContact NH2-OD2 3.46Å; P688-D690 VanDerWaalsContact C-N 3.3Å; P688-D690 WeakPolarHBondContact CB-OD1 3.44Å; P688-D690 PolarHBondContact O-N 3.44Å; P688-D690 VanDerWaalsContact O-N 3.16Å; D690-Q693 PolarHBondContact O-N 3Å; D690-Y694 PolarHBondContact O-N 3.04Å; D690-Y694 VanDerWaalsContact O-N 3.1Å
691	L	91.9	Very high	88	Confident	3 Å²	3	57 Å²	57	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-67.9	-37.1	175.4	-60.3	-175.8	0	0	0	112.1	L197 R225 L687 P688 Q693 Y694 V695	L197-L691 HydrophobicContact CB-CD1 4.48Å; L197-L691 HydrophobicContact CD2-CD1 3.67Å; R225-L691 HydrophobicContact CG-CD1 3.74Å; R225-L691 HydrophobicContact CG-CD2 4.12Å; L687-L691 HydrophobicContact CB-CB 4.45Å; P688-L691 HydrophobicContact CG-CD1 4.46Å; P688-L691 PolarHBondContact O-N 2.98Å; P688-L691 VanDerWaalsContact O-N 3.12Å; L691-Q693 VanDerWaalsContact C-N 3.31Å; L691-Q693 PolarHBondContact O-N 3.13Å; L691-Y694 PolarHBondContact O-N 3.32Å; L691-V695 VanDerWaalsContact O-CG2 3.32Å; L691-V695 WeakPolarHBondContact O-CG2 3.3Å; L691-V695 PolarHBondContact O-N 3.15Å
692	K	92.4	Very high	89.3	Confident	68 Å²	68	55.5 Å²	55.5	30%	0.296	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-35.8	177.7	-167.3	169.7	-171.9	148.7	0	112.3	M684 D685 L687 P688 K696	M684-K692 HydrophobicContact CE-CG 4.15Å; M684-K692 WeakPolarHBondContact CE-O 3.38Å; M684-K692 VanDerWaalsContact O-CD 3.3Å; M684-K692 WeakPolarHBondContact O-CD 3.13Å; M684-K692 WeakPolarHBondContact O-CE 3.36Å; M684-K692 PolarHBondContact O-NZ 3.5Å; D685-K692 IonicContact OD1-NZ 3.08Å; D685-K692 PolarHBondContact OD1-NZ 3.33Å; L687-K692 HydrophobicContact CB-CB 4Å; P688-K692 WeakPolarHBondContact O-CB 3.2Å; P688-K692 PolarHBondContact O-N 2.79Å; K692-K696 VanDerWaalsContact O-CB 3.32Å; K692-K696 WeakPolarHBondContact O-CB 3.37Å; K692-K696 PolarHBondContact O-N 3.09Å
693	Q	92.2	Very high	90.4	Very high	88 Å²	88	54.3 Å²	54.3	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-70.1	-46.6	171.6	-179.4	60.1	23.2	0	0	111.4	P689 D690 L691 V695 K696 E697	P689-Q693 PolarHBondContact O-N 3.07Å; P689-Q693 VanDerWaalsContact O-N 3.14Å; D690-Q693 PolarHBondContact O-N 3Å; L691-Q693 VanDerWaalsContact C-N 3.31Å; L691-Q693 PolarHBondContact O-N 3.13Å; Q693-V695 PolarHBondContact O-N 2.75Å; Q693-K696 WeakPolarHBondContact O-CB 3.43Å; Q693-K696 PolarHBondContact O-N 3.06Å; Q693-K696 VanDerWaalsContact O-N 3.12Å; Q693-E697 WeakPolarHBondContact CG-OE1 3.36Å; Q693-E697 PolarHBondContact NE2-OE1 3.34Å; Q693-E697 WeakPolarHBondContact O-CG 3.46Å; Q693-E697 PolarHBondContact O-N 2.89Å
694	Y	92.9	Very high	91.2	Very high	69 Å²	69	56.8 Å²	56.8	27%	0.271	28%	0.28	S	S	.	.	H	α-helix	trans	-56.8	-46.1	178.6	175.3	-119.6	0	0	0	113.1	N226 L230 D690 L691 K696 E697 D698	N226-Y694 HydrophobicContact CB-CE1 3.88Å; L230-Y694 HydrophobicContact CD1-CE1 3.9Å; L230-Y694 HydrophobicContact CD2-CE1 4.16Å; L230-Y694 HydrophobicContact CG-CE1 3.93Å; D690-Y694 PolarHBondContact O-N 3.04Å; D690-Y694 VanDerWaalsContact O-N 3.1Å; L691-Y694 PolarHBondContact O-N 3.32Å; Y694-K696 VanDerWaalsContact C-N 3.32Å; Y694-K696 PolarHBondContact O-N 3.18Å; Y694-E697 PolarHBondContact O-N 3.29Å; Y694-D698 PolarHBondContact O-N 2.96Å; Y694-D698 VanDerWaalsContact O-N 3.15Å
695	V	93.8	Very high	91.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-71.7	-27.9	178.8	-178.7	0	0	0	0	111.9	S229 L230 G233 M684 L687 L691 Q693 N699	S229-V695 VanDerWaalsContact C-CG2 3.42Å; S229-V695 WeakPolarHBondContact O-CG2 3.15Å; S229-V695 VanDerWaalsContact OG-CG2 3.25Å; S229-V695 WeakPolarHBondContact OG-CG2 3.19Å; L230-V695 HydrophobicContact CD2-CG1 4.45Å; L230-V695 HydrophobicContact CD2-CG2 4.09Å; L230-V695 HydrophobicContact CG-CG2 4.44Å; G233-V695 WeakPolarHBondContact O-CG1 3.45Å; M684-V695 HydrophobicContact CE-CB 4.03Å; M684-V695 HydrophobicContact CE-CG1 4.07Å; M684-V695 HydrophobicContact SD-CB 3.93Å; M684-V695 HydrophobicContact SD-CG1 3.53Å; M684-V695 VanDerWaalsContact SD-CG1 3.53Å; L687-V695 HydrophobicContact CD1-CB 4.23Å; L687-V695 HydrophobicContact CD1-CG2 3.92Å; L691-V695 VanDerWaalsContact O-CG2 3.32Å; L691-V695 WeakPolarHBondContact O-CG2 3.3Å; L691-V695 PolarHBondContact O-N 3.15Å; Q693-V695 PolarHBondContact O-N 2.75Å; V695-N699 WeakPolarHBondContact O-CB 3.34Å; V695-N699 VanDerWaalsContact O-CG 3.24Å; V695-N699 PolarHBondContact O-N 2.71Å; V695-N699 PolarHBondContact O-ND2 2.78Å; V695-N699 VanDerWaalsContact O-ND2 3.11Å
696	K	93.8	Very high	92.3	Very high	93 Å²	93	53.6 Å²	53.6	40%	0.404	26%	0.261	S	S	.	.	H	α-helix	trans	-66.7	-38.1	171.6	-176.9	173.2	177.7	-70.1	0	111.4	M684 K692 Q693 Y694 N699 E700	M684-K696 HydrophobicContact CE-CB 4.15Å; K692-K696 VanDerWaalsContact O-CB 3.32Å; K692-K696 WeakPolarHBondContact O-CB 3.37Å; K692-K696 PolarHBondContact O-N 3.09Å; Q693-K696 WeakPolarHBondContact O-CB 3.43Å; Q693-K696 PolarHBondContact O-N 3.06Å; Q693-K696 VanDerWaalsContact O-N 3.12Å; Y694-K696 VanDerWaalsContact C-N 3.32Å; Y694-K696 PolarHBondContact O-N 3.18Å; K696-N699 PolarHBondContact O-N 2.85Å; K696-E700 WeakPolarHBondContact CE-OE1 3.45Å; K696-E700 IonicContact NZ-OE1 2.72Å; K696-E700 PolarHBondContact NZ-OE1 3.13Å; K696-E700 WeakPolarHBondContact O-CB 3.27Å; K696-E700 WeakPolarHBondContact O-CG 3.44Å; K696-E700 PolarHBondContact O-N 3.26Å
697	E	94.4	Very high	92.8	Very high	104 Å²	104	58.1 Å²	58.1	49%	0.486	28%	0.283	S	S	.	.	H	α-helix	trans	-68.4	-40.6	176.5	-70.5	171	-170.6	0	0	112.8	Q693 Y694 Q701	Q693-E697 WeakPolarHBondContact CG-OE1 3.36Å; Q693-E697 PolarHBondContact NE2-OE1 3.34Å; Q693-E697 WeakPolarHBondContact O-CG 3.46Å; Q693-E697 PolarHBondContact O-N 2.89Å; Y694-E697 PolarHBondContact O-N 3.29Å; E697-Q701 WeakPolarHBondContact O-CB 3.25Å; E697-Q701 PolarHBondContact O-N 3.01Å
698	D	94.3	Very high	93.1	Very high	31 Å²	31	63.9 Å²	63.9	17%	0.166	31%	0.31	C	S	.	.	H	α-helix	trans	-60.8	-46	170.8	175.2	54.2	0	0	0	111.7	L230 S234 R236 Y694 E700 Q701 F702	L230-D698 HydrophobicContact CD2-CB 3.75Å; S234-D698 PolarHBondContact OG-OD2 3.41Å; R236-D698 IonicContact CZ-OD1 3.84Å; R236-D698 VanDerWaalsContact CZ-OD1 3.24Å; R236-D698 IonicContact NE-OD1 3.49Å; R236-D698 PolarHBondContact NE-OD1 3.22Å; R236-D698 IonicContact NE-OD2 3.39Å; R236-D698 PolarHBondContact NE-OD2 3.26Å; R236-D698 IonicContact NH2-OD1 2.64Å; R236-D698 PolarHBondContact NH2-OD1 3.4Å; Y694-D698 PolarHBondContact O-N 2.96Å; Y694-D698 VanDerWaalsContact O-N 3.15Å; D698-E700 PolarHBondContact O-N 3.44Å; D698-Q701 PolarHBondContact O-N 2.99Å; D698-Q701 VanDerWaalsContact O-N 3.11Å; D698-F702 PolarHBondContact O-N 3.42Å
699	N	94.8	Very high	93.2	Very high	13 Å²	13	65.8 Å²	65.8	7%	0.07	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-45.5	179.4	-79.3	-31.1	0	0	0	112.1	G233 S234 K235 V695 K696 Q701 F702 D703	G233-N699 PolarHBondContact O-ND2 3.44Å; S234-N699 WeakPolarHBondContact CA-OD1 3.44Å; K235-N699 VanDerWaalsContact CB-OD1 3.31Å; K235-N699 WeakPolarHBondContact CB-OD1 3.39Å; K235-N699 HydrophobicContact CD-CB 4Å; K235-N699 HydrophobicContact CG-CB 4.37Å; K235-N699 VanDerWaalsContact CG-OD1 3.3Å; K235-N699 WeakPolarHBondContact CG-OD1 3.26Å; K235-N699 PolarHBondContact N-OD1 3.28Å; V695-N699 WeakPolarHBondContact O-CB 3.34Å; V695-N699 VanDerWaalsContact O-CG 3.24Å; V695-N699 PolarHBondContact O-N 2.71Å; V695-N699 PolarHBondContact O-ND2 2.78Å; V695-N699 VanDerWaalsContact O-ND2 3.11Å; K696-N699 PolarHBondContact O-N 2.85Å; N699-Q701 VanDerWaalsContact C-N 3.25Å; N699-Q701 PolarHBondContact O-N 3.04Å; N699-F702 PolarHBondContact O-N 3.24Å; N699-D703 VanDerWaalsContact O-CG 3.23Å; N699-D703 PolarHBondContact O-N 2.84Å; N699-D703 VanDerWaalsContact O-OD2 3.07Å
700	E	95.6	Very high	93.4	Very high	79 Å²	79	64 Å²	64	37%	0.369	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-27.8	174.4	-77	176.8	-162.5	0	0	112.9	K696 D698 K704	K696-E700 WeakPolarHBondContact CE-OE1 3.45Å; K696-E700 IonicContact NZ-OE1 2.72Å; K696-E700 PolarHBondContact NZ-OE1 3.13Å; K696-E700 WeakPolarHBondContact O-CB 3.27Å; K696-E700 WeakPolarHBondContact O-CG 3.44Å; K696-E700 PolarHBondContact O-N 3.26Å; D698-E700 PolarHBondContact O-N 3.44Å; E700-K704 WeakPolarHBondContact O-CD 3.3Å; E700-K704 VanDerWaalsContact O-CE 3.23Å; E700-K704 WeakPolarHBondContact O-CE 3.45Å; E700-K704 VanDerWaalsContact O-CG 3.3Å; E700-K704 WeakPolarHBondContact O-CG 3.24Å; E700-K704 PolarHBondContact O-N 3.09Å
701	Q	94.2	Very high	93.6	Very high	95 Å²	95	62.1 Å²	62.1	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-76.7	-34.3	173.9	-169.3	56.2	32.2	0	0	112.2	E697 D698 N699 K704 E705	E697-Q701 WeakPolarHBondContact O-CB 3.25Å; E697-Q701 PolarHBondContact O-N 3.01Å; D698-Q701 PolarHBondContact O-N 2.99Å; D698-Q701 VanDerWaalsContact O-N 3.11Å; N699-Q701 VanDerWaalsContact C-N 3.25Å; N699-Q701 PolarHBondContact O-N 3.04Å; Q701-K704 VanDerWaalsContact OE1-NZ 3.13Å; Q701-E705 PolarHBondContact O-N 3.33Å; Q701-E705 VanDerWaalsContact O-N 3.11Å
702	F	94.4	Very high	93.6	Very high	1 Å²	1	67.5 Å²	67.5	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-72.2	-35	173.7	-174.5	-124.6	0	0	0	112.8	P157 R160 K161 K235 R236 D698 N699 K704 E705 I706	P157-F702 HydrophobicContact CB-CE2 4.12Å; P157-F702 WeakPolarHBondContact O-CZ 3.41Å; R160-F702 HydrophobicContact CB-CZ 4.47Å; K161-F702 HydrophobicContact CB-CE1 4.21Å; K161-F702 HydrophobicContact CB-CZ 4.28Å; K161-F702 HydrophobicContact CG-CE1 4.26Å; K235-F702 HydrophobicContact CB-CD1 3.95Å; K235-F702 HydrophobicContact CB-CE1 4.35Å; R236-F702 HydrophobicContact CG-CB 4.34Å; R236-F702 HydrophobicContact CG-CD1 3.99Å; R236-F702 HydrophobicContact CG-CD2 4.04Å; R236-F702 HydrophobicContact CG-CE1 4.28Å; R236-F702 HydrophobicContact CG-CE2 4.33Å; R236-F702 HydrophobicContact CG-CG 3.86Å; R236-F702 HydrophobicContact CG-CZ 4.44Å; R236-F702 VanDerWaalsContact NH1-CD2 3.29Å; D698-F702 PolarHBondContact O-N 3.42Å; N699-F702 PolarHBondContact O-N 3.24Å; F702-K704 VanDerWaalsContact C-N 3.34Å; F702-K704 PolarHBondContact O-N 2.68Å; F702-E705 HydrophobicContact CD2-CB 4.37Å; F702-E705 WeakPolarHBondContact O-CB 3.35Å; F702-E705 PolarHBondContact O-N 3.09Å; F702-I706 HydrophobicContact CD1-CD1 4.27Å; F702-I706 HydrophobicContact CE1-CD1 3.99Å; F702-I706 HydrophobicContact CZ-CD1 4.2Å; F702-I706 PolarHBondContact O-N 3.42Å; F702-I706 VanDerWaalsContact O-N 3.13Å
703	D	94.1	Very high	93.4	Very high	48 Å²	48	67.6 Å²	67.6	26%	0.257	32%	0.323	S	S	.	.	H	α-helix	trans	-61	-42.4	172.5	-65.9	-44.2	0	0	0	111.1	K235 N699 I706 E707	K235-D703 IonicContact NZ-OD1 2.76Å; K235-D703 PolarHBondContact NZ-OD1 3.45Å; K235-D703 IonicContact NZ-OD2 3.95Å; K235-D703 PolarHBondContact NZ-OD2 2.88Å; N699-D703 VanDerWaalsContact O-CG 3.23Å; N699-D703 PolarHBondContact O-N 2.84Å; N699-D703 VanDerWaalsContact O-OD2 3.07Å; D703-I706 WeakPolarHBondContact O-CB 3.3Å; D703-I706 PolarHBondContact O-N 2.94Å; D703-E707 PolarHBondContact O-N 2.84Å; D703-E707 VanDerWaalsContact O-N 3.07Å
704	K	94.5	Very high	93.4	Very high	87 Å²	87	66.3 Å²	66.3	38%	0.378	33%	0.328	S	S	.	.	H	α-helix	trans	-64.1	-38.8	173.2	-65.3	163.8	-153.9	148.4	0	112.7	E700 Q701 F702 I706 E707 E708	E700-K704 WeakPolarHBondContact O-CD 3.3Å; E700-K704 VanDerWaalsContact O-CE 3.23Å; E700-K704 WeakPolarHBondContact O-CE 3.45Å; E700-K704 VanDerWaalsContact O-CG 3.3Å; E700-K704 WeakPolarHBondContact O-CG 3.24Å; E700-K704 PolarHBondContact O-N 3.09Å; Q701-K704 VanDerWaalsContact OE1-NZ 3.13Å; F702-K704 VanDerWaalsContact C-N 3.34Å; F702-K704 PolarHBondContact O-N 2.68Å; K704-I706 PolarHBondContact O-N 3.12Å; K704-E707 PolarHBondContact O-N 3.23Å; K704-E707 VanDerWaalsContact O-N 3.15Å; K704-E708 WeakPolarHBondContact O-CB 3.32Å; K704-E708 WeakPolarHBondContact O-CG 3.39Å; K704-E708 PolarHBondContact O-N 3.29Å
705	E	94.3	Very high	93.3	Very high	54 Å²	54	71.9 Å²	71.9	25%	0.252	35%	0.348	S	S	.	.	H	α-helix	trans	-57.8	-38.6	177.2	-159.8	-173	146	0	0	111	P157 R160 R236 Q701 F702 W709	P157-E705 HydrophobicContact CB-CG 4.48Å; P157-E705 HydrophobicContact CG-CG 4.15Å; R160-E705 IonicContact CZ-OE1 3.45Å; R160-E705 IonicContact NH1-OE1 2.68Å; R160-E705 PolarHBondContact NH1-OE1 3.17Å; R160-E705 IonicContact NH2-OE1 2.61Å; R160-E705 PolarHBondContact NH2-OE1 3.37Å; R236-E705 IonicContact CZ-OE2 2.72Å; R236-E705 IonicContact NH1-OE2 3.05Å; R236-E705 PolarHBondContact NH1-OE2 3.04Å; Q701-E705 PolarHBondContact O-N 3.33Å; Q701-E705 VanDerWaalsContact O-N 3.11Å; F702-E705 HydrophobicContact CD2-CB 4.37Å; F702-E705 WeakPolarHBondContact O-CB 3.35Å; F702-E705 PolarHBondContact O-N 3.09Å; E705-W709 WeakPolarHBondContact O-CB 3.11Å; E705-W709 PolarHBondContact O-N 2.92Å
706	I	93.1	Very high	93.1	Very high	17 Å²	17	77.1 Å²	77.1	9%	0.087	37%	0.371	C	S	.	.	H	α-helix	trans	-66.7	-49.9	172.1	-70	161.7	0	0	0	111.4	P157 H158 K161 F702 D703 K704 E708 W709 D710	P157-I706 HydrophobicContact CB-CG1 3.69Å; H158-I706 WeakPolarHBondContact CE1-CG2 3.49Å; K161-I706 HydrophobicContact CD-CD1 4.33Å; F702-I706 HydrophobicContact CD1-CD1 4.27Å; F702-I706 HydrophobicContact CE1-CD1 3.99Å; F702-I706 HydrophobicContact CZ-CD1 4.2Å; F702-I706 PolarHBondContact O-N 3.42Å; F702-I706 VanDerWaalsContact O-N 3.13Å; D703-I706 WeakPolarHBondContact O-CB 3.3Å; D703-I706 PolarHBondContact O-N 2.94Å; K704-I706 PolarHBondContact O-N 3.12Å; I706-E708 PolarHBondContact O-N 2.89Å; I706-W709 PolarHBondContact O-N 2.89Å; I706-D710 PolarHBondContact O-N 3.02Å
707	E	94.1	Very high	92.8	Very high	138 Å²	138	75.3 Å²	75.3	65%	0.645	37%	0.374	S	S	*	.	H	α-helix	trans	-60.6	-41.5	-179.3	-71.1	178.8	-179.9	0	0	112.9	D703 K704 A711	D703-E707 PolarHBondContact O-N 2.84Å; D703-E707 VanDerWaalsContact O-N 3.07Å; K704-E707 PolarHBondContact O-N 3.23Å; K704-E707 VanDerWaalsContact O-N 3.15Å; E707-A711 WeakPolarHBondContact O-CB 3.27Å; E707-A711 PolarHBondContact O-N 3.38Å
708	E	94.1	Very high	92.5	Very high	133 Å²	133	76.5 Å²	76.5	62%	0.621	38%	0.379	S	S	*	.	H	α-helix	trans	-65.9	-38.4	177	-73.4	-178.2	-175.1	0	0	112.1	K704 I706 M712	K704-E708 WeakPolarHBondContact O-CB 3.32Å; K704-E708 WeakPolarHBondContact O-CG 3.39Å; K704-E708 PolarHBondContact O-N 3.29Å; I706-E708 PolarHBondContact O-N 2.89Å; E708-M712 WeakPolarHBondContact O-CB 3.27Å; E708-M712 PolarHBondContact O-N 3Å
709	W	91.8	Very high	92	Very high	62 Å²	62	81.9 Å²	81.9	24%	0.235	40%	0.403	C	S	.	.	H	α-helix	trans	-66.2	-48.2	175.5	177.6	-97.7	0	0	0	112.1	P155 N156 P157 E705 I706 A711 M712 Q713	P155-W709 HydrophobicContact CB-CH2 3.99Å; P155-W709 HydrophobicContact CB-CZ3 4.16Å; P155-W709 HydrophobicContact CG-CH2 4.27Å; N156-W709 HydrophobicContact CB-CZ2 3.82Å; N156-W709 PolarHBondContact OD1-NE1 3.41Å; N156-W709 VanDerWaalsContact OD1-NE1 3.16Å; P157-W709 HydrophobicContact CG-CB 3.81Å; P157-W709 HydrophobicContact CG-CG 4.06Å; E705-W709 WeakPolarHBondContact O-CB 3.11Å; E705-W709 PolarHBondContact O-N 2.92Å; I706-W709 PolarHBondContact O-N 2.89Å; W709-A711 VanDerWaalsContact C-N 3.31Å; W709-A711 PolarHBondContact O-N 3.17Å; W709-M712 WeakPolarHBondContact O-CA 3.43Å; W709-M712 WeakPolarHBondContact O-CB 3.1Å; W709-M712 PolarHBondContact O-N 3.17Å; W709-Q713 WeakPolarHBondContact O-CG 3.17Å; W709-Q713 PolarHBondContact O-N 3.49Å
710	D	92.5	Very high	91.6	Very high	74 Å²	74	86 Å²	86	40%	0.396	42%	0.422	S	S	.	.	H	α-helix	trans	-63.4	-39	179.7	-72.5	-14	0	0	0	111.3	H158 I706 M712 Q713 A714	H158-D710 IonicContact CD2-OD1 2.69Å; H158-D710 IonicContact CE1-OD1 2.67Å; H158-D710 IonicContact CE1-OD2 3.58Å; H158-D710 PolarHBondContact CE1-OD2 2.91Å; H158-D710 VanDerWaalsContact NE2-CG 3.31Å; H158-D710 IonicContact NE2-OD1 3.3Å; H158-D710 PolarHBondContact NE2-OD1 2.84Å; H158-D710 IonicContact NE2-OD2 3.22Å; H158-D710 PolarHBondContact NE2-OD2 3.35Å; H158-D710 VanDerWaalsContact NE2-OD2 3.08Å; I706-D710 PolarHBondContact O-N 3.02Å; D710-M712 VanDerWaalsContact C-N 3.31Å; D710-M712 PolarHBondContact O-N 3.09Å; D710-Q713 PolarHBondContact O-N 3.45Å; D710-A714 WeakPolarHBondContact O-CB 3.25Å; D710-A714 PolarHBondContact O-N 3.48Å
711	A	92.8	Very high	91.2	Very high	47 Å²	47	90.1 Å²	90.1	39%	0.388	44%	0.439	S	S	.	.	H	α-helix	trans	-63.2	-34.7	171.6	0	0	0	0	0	112.9	E707 W709 R715	E707-A711 WeakPolarHBondContact O-CB 3.27Å; E707-A711 PolarHBondContact O-N 3.38Å; W709-A711 VanDerWaalsContact C-N 3.31Å; W709-A711 PolarHBondContact O-N 3.17Å; A711-R715 VanDerWaalsContact O-CG 3.31Å; A711-R715 WeakPolarHBondContact O-CG 3.39Å; A711-R715 PolarHBondContact O-N 2.96Å
712	M	91.5	Very high	90.7	Very high	117 Å²	117	91 Å²	91	58%	0.576	45%	0.446	S	S	*	.	H	α-helix	trans	-70.5	-43.8	176.1	-165.6	-177.1	-57.7	0	0	111.9	E708 W709 D710 R715 K716	E708-M712 WeakPolarHBondContact O-CB 3.27Å; E708-M712 PolarHBondContact O-N 3Å; W709-M712 WeakPolarHBondContact O-CA 3.43Å; W709-M712 WeakPolarHBondContact O-CB 3.1Å; W709-M712 PolarHBondContact O-N 3.17Å; D710-M712 VanDerWaalsContact C-N 3.31Å; D710-M712 PolarHBondContact O-N 3.09Å; M712-R715 PolarHBondContact O-N 2.98Å; M712-K716 PolarHBondContact O-N 3.47Å
713	Q	89	Confident	89.9	Confident	69 Å²	69	93.8 Å²	93.8	32%	0.322	47%	0.469	S	S	.	.	H	α-helix	trans	-65.3	-39.8	176.3	-61.2	-53.4	-29.6	0	0	111.8	W709 D710 R715 K716 A717	W709-Q713 WeakPolarHBondContact O-CG 3.17Å; W709-Q713 PolarHBondContact O-N 3.49Å; D710-Q713 PolarHBondContact O-N 3.45Å; Q713-R715 PolarHBondContact O-N 3.45Å; Q713-K716 PolarHBondContact O-N 2.96Å; Q713-A717 PolarHBondContact O-N 2.86Å
714	A	90.9	Very high	89.2	Confident	62 Å²	62	97.5 Å²	97.5	51%	0.512	49%	0.489	S	S	.	.	H	α-helix	trans	-59.9	-43.1	174.5	0	0	0	0	0	112.4	D710 Q718	D710-A714 WeakPolarHBondContact O-CB 3.25Å; D710-A714 PolarHBondContact O-N 3.48Å; A714-Q718 WeakPolarHBondContact O-CB 3.47Å; A714-Q718 PolarHBondContact O-N 2.93Å
715	R	91.8	Very high	88.3	Confident	186 Å²	186	96.2 Å²	96.2	70%	0.702	49%	0.494	S	S	*	.	H	α-helix	trans	-62.5	-44.3	174.2	-74	172.5	-176.7	-178.5	4.3	112	A711 M712 Q713 Q718 Q719	A711-R715 VanDerWaalsContact O-CG 3.31Å; A711-R715 WeakPolarHBondContact O-CG 3.39Å; A711-R715 PolarHBondContact O-N 2.96Å; M712-R715 PolarHBondContact O-N 2.98Å; Q713-R715 PolarHBondContact O-N 3.45Å; R715-Q718 PolarHBondContact O-N 3.14Å; R715-Q719 WeakPolarHBondContact O-CB 3.22Å; R715-Q719 PolarHBondContact O-N 2.88Å
716	K	89.9	Confident	87.3	Confident	110 Å²	110	96.7 Å²	96.7	48%	0.478	51%	0.507	S	S	.	.	H	α-helix	trans	-59.9	-50.2	177.7	-177.5	-177.6	166.9	-172.6	0	111.4	M712 Q713 Q718 Q719 E720	M712-K716 PolarHBondContact O-N 3.47Å; Q713-K716 PolarHBondContact O-N 2.96Å; K716-Q718 VanDerWaalsContact C-N 3.29Å; K716-Q718 PolarHBondContact O-N 2.9Å; K716-Q719 WeakPolarHBondContact O-CB 3.36Å; K716-Q719 PolarHBondContact O-N 3.25Å; K716-Q719 VanDerWaalsContact O-N 3.07Å; K716-E720 WeakPolarHBondContact CE-OE1 3.43Å; K716-E720 IonicContact NZ-OE1 2.93Å; K716-E720 WeakPolarHBondContact O-CG 3.48Å; K716-E720 PolarHBondContact O-N 3.5Å
717	A	87.8	Confident	86.1	Confident	55 Å²	55	98.4 Å²	98.4	46%	0.455	52%	0.524	S	S	.	.	H	α-helix	trans	-61.1	-36.5	177.7	0	0	0	0	0	112.6	Q713 K721	Q713-A717 PolarHBondContact O-N 2.86Å; A717-K721 VanDerWaalsContact O-CB 3.29Å; A717-K721 WeakPolarHBondContact O-CB 3.41Å; A717-K721 PolarHBondContact O-N 2.95Å
718	Q	86.4	Confident	84.9	Confident	128 Å²	128	95.1 Å²	95.1	60%	0.598	52%	0.521	S	S	*	.	H	α-helix	trans	-66.2	-39.9	173.3	-173.9	175.2	0.5	0	0	112.1	A714 R715 K716 K721 L722	A714-Q718 WeakPolarHBondContact O-CB 3.47Å; A714-Q718 PolarHBondContact O-N 2.93Å; R715-Q718 PolarHBondContact O-N 3.14Å; K716-Q718 VanDerWaalsContact C-N 3.29Å; K716-Q718 PolarHBondContact O-N 2.9Å; Q718-K721 PolarHBondContact O-N 3.41Å; Q718-L722 HydrophobicContact CG-CD1 4.44Å; Q718-L722 WeakPolarHBondContact O-CG 3.34Å; Q718-L722 PolarHBondContact O-N 2.8Å
719	Q	85.4	Confident	83.3	Confident	145 Å²	145	92.6 Å²	92.6	68%	0.678	52%	0.522	S	S	*	.	H	α-helix	trans	-68.6	-41.5	177.9	-170.6	171.8	0.6	0	0	112.2	R715 K716 L722 A723	R715-Q719 WeakPolarHBondContact O-CB 3.22Å; R715-Q719 PolarHBondContact O-N 2.88Å; K716-Q719 WeakPolarHBondContact O-CB 3.36Å; K716-Q719 PolarHBondContact O-N 3.25Å; K716-Q719 VanDerWaalsContact O-N 3.07Å; Q719-L722 PolarHBondContact O-N 3.17Å; Q719-A723 PolarHBondContact O-N 3.16Å
720	E	85.7	Confident	81.7	Confident	100 Å²	100	94.5 Å²	94.5	47%	0.467	55%	0.545	S	S	.	.	H	α-helix	trans	-62.9	-42.2	173.5	-72	171.9	170.9	0	0	111.5	K716 L722 A723 L724	K716-E720 WeakPolarHBondContact CE-OE1 3.43Å; K716-E720 IonicContact NZ-OE1 2.93Å; K716-E720 WeakPolarHBondContact O-CG 3.48Å; K716-E720 PolarHBondContact O-N 3.5Å; E720-L722 VanDerWaalsContact C-N 3.32Å; E720-L722 PolarHBondContact O-N 3.16Å; E720-A723 PolarHBondContact O-N 2.9Å; E720-L724 WeakPolarHBondContact O-CB 3.49Å; E720-L724 WeakPolarHBondContact O-CG 3.45Å; E720-L724 PolarHBondContact O-N 2.88Å
721	K	86.1	Confident	79.5	Confident	164 Å²	164	94.7 Å²	94.7	71%	0.713	56%	0.557	S	S	*	*	H	α-helix	trans	-62.2	-36.4	174.9	-171.4	173.7	-175.9	175	0	112.8	A717 Q718 A725	A717-K721 VanDerWaalsContact O-CB 3.29Å; A717-K721 WeakPolarHBondContact O-CB 3.41Å; A717-K721 PolarHBondContact O-N 2.95Å; Q718-K721 PolarHBondContact O-N 3.41Å; K721-A725 WeakPolarHBondContact O-CB 3.26Å; K721-A725 PolarHBondContact O-N 3.29Å; K721-A725 VanDerWaalsContact O-N 3.11Å
722	L	84.3	Confident	76.8	Confident	113 Å²	113	96.2 Å²	96.2	59%	0.592	57%	0.569	S	S	*	*	H	α-helix	trans	-70.4	-39.6	173.6	-72.9	167.7	0	0	0	112.1	Q718 Q719 E720 A725 A726	Q718-L722 HydrophobicContact CG-CD1 4.44Å; Q718-L722 WeakPolarHBondContact O-CG 3.34Å; Q718-L722 PolarHBondContact O-N 2.8Å; Q719-L722 PolarHBondContact O-N 3.17Å; E720-L722 VanDerWaalsContact C-N 3.32Å; E720-L722 PolarHBondContact O-N 3.16Å; L722-A725 PolarHBondContact O-N 3.41Å; L722-A726 PolarHBondContact O-N 3.25Å
723	A	79.1	Confident	74.6	Confident	61 Å²	61	96.7 Å²	96.7	50%	0.504	58%	0.581	S	S	.	*	H	α-helix	trans	-63.9	-43.2	175.4	0	0	0	0	0	112.1	Q719 E720 A725 A726 A727	Q719-A723 PolarHBondContact O-N 3.16Å; E720-A723 PolarHBondContact O-N 2.9Å; A723-A725 PolarHBondContact O-N 2.9Å; A723-A726 PolarHBondContact O-N 2.94Å; A723-A727 WeakPolarHBondContact O-CB 3.1Å; A723-A727 PolarHBondContact O-N 2.83Å
724	L	78.3	Confident	72.2	Confident	126 Å²	126	99 Å²	99	66%	0.66	61%	0.605	S	S	*	*	H	α-helix	trans	-62.2	-40.4	174.1	-74.9	164.8	0	0	0	112.1	E720 A727 A728	E720-L724 WeakPolarHBondContact O-CB 3.49Å; E720-L724 WeakPolarHBondContact O-CG 3.45Å; E720-L724 PolarHBondContact O-N 2.88Å; L724-A727 PolarHBondContact O-N 3.3Å; L724-A728 WeakPolarHBondContact O-CB 3.23Å; L724-A728 PolarHBondContact O-N 3.3Å
725	A	76.3	Confident	69.5	Low	60 Å²	60	101.8 Å²	101.8	50%	0.496	62%	0.621	S	S	.	*	H	α-helix	trans	-65.2	-39.6	175	0	0	0	0	0	112.4	K721 L722 A723 A728 A729	K721-A725 WeakPolarHBondContact O-CB 3.26Å; K721-A725 PolarHBondContact O-N 3.29Å; K721-A725 VanDerWaalsContact O-N 3.11Å; L722-A725 PolarHBondContact O-N 3.41Å; A723-A725 PolarHBondContact O-N 2.9Å; A725-A728 PolarHBondContact O-N 2.87Å; A725-A729 WeakPolarHBondContact O-CB 3.11Å; A725-A729 PolarHBondContact O-N 2.9Å
726	A	72.4	Confident	66.7	Low	63 Å²	63	99.3 Å²	99.3	52%	0.521	63%	0.626	S	S	.	*	H	α-helix	trans	-66.5	-41	175.1	0	0	0	0	0	112.2	L722 A723 A729 S730	L722-A726 PolarHBondContact O-N 3.25Å; A723-A726 PolarHBondContact O-N 2.94Å; A726-A729 PolarHBondContact O-N 3.46Å; A726-S730 PolarHBondContact O-N 3.44Å
727	A	68.5	Low	64.1	Low	54 Å²	54	99 Å²	99	45%	0.446	64%	0.638	S	S	.	*	H	α-helix	trans	-61.3	-46.5	174	0	0	0	0	0	111.6	A723 L724 A729 S730	A723-A727 WeakPolarHBondContact O-CB 3.1Å; A723-A727 PolarHBondContact O-N 2.83Å; L724-A727 PolarHBondContact O-N 3.3Å; A727-A729 VanDerWaalsContact C-N 3.33Å; A727-A729 PolarHBondContact O-N 3.14Å; A727-S730 WeakPolarHBondContact O-CB 3.39Å; A727-S730 PolarHBondContact O-N 3.39Å; A727-S730 VanDerWaalsContact O-N 3.09Å; A727-S730 PolarHBondContact O-OG 3.45Å
728	A	67.9	Low	61.3	Low	69 Å²	69	102.6 Å²	102.6	57%	0.57	66%	0.655	S	S	*	*	H	α-helix	trans	-60.8	-39.7	176.3	0	0	0	0	0	112.5	L724 A725 S730 A731	L724-A728 WeakPolarHBondContact O-CB 3.23Å; L724-A728 PolarHBondContact O-N 3.3Å; A725-A728 PolarHBondContact O-N 2.87Å; A728-S730 PolarHBondContact O-N 3.06Å; A728-A731 PolarHBondContact O-N 3.31Å
729	A	61.7	Low	58.6	Low	79 Å²	79	101.1 Å²	101.1	65%	0.653	66%	0.659	S	S	*	*	H	α-helix	trans	-64.4	-27	175.7	0	0	0	0	0	113.4	A725 A726 A727 A731	A725-A729 WeakPolarHBondContact O-CB 3.11Å; A725-A729 PolarHBondContact O-N 2.9Å; A726-A729 PolarHBondContact O-N 3.46Å; A727-A729 VanDerWaalsContact C-N 3.33Å; A727-A729 PolarHBondContact O-N 3.14Å; A729-A731 VanDerWaalsContact C-N 3.34Å
730	S	56.6	Low	55.8	Low	102 Å²	102	100.2 Å²	100.2	71%	0.713	66%	0.663	S	S	*	*	H	α-helix	trans	-78.2	-13.4	177.8	77.4	0	0	0	0	114.6	A726 A727 A728	A726-S730 PolarHBondContact O-N 3.44Å; A727-S730 WeakPolarHBondContact O-CB 3.39Å; A727-S730 PolarHBondContact O-N 3.39Å; A727-S730 VanDerWaalsContact O-N 3.09Å; A727-S730 PolarHBondContact O-OG 3.45Å; A728-S730 PolarHBondContact O-N 3.06Å
731	A	46.2	Very low	53.1	Low	78 Å²	78	100.9 Å²	100.9	65%	0.645	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	0.7	-172.1	0	0	0	0	0	114.8	A728 A729 P733	A728-A731 PolarHBondContact O-N 3.31Å; A729-A731 VanDerWaalsContact C-N 3.34Å; A731-P733 WeakPolarHBondContact O-CD 3.32Å
732	A	37	Very low	50.4	Low	79 Å²	79	98.4 Å²	98.4	65%	0.653	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-81.9	120.7	-177.1	0	0	0	0	0	112.3
733	P	44.6	Very low	48.5	Very low	127 Å²	127	98 Å²	98	83%	0.825	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-76.3	140.3	-178.3	30.6	-34.9	0	0	0	112.6	A731	A731-P733 WeakPolarHBondContact O-CD 3.32Å
734	S	39.5	Very low	46	Very low	117 Å²	117	103.7 Å²	103.7	82%	0.818	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-88.4	118.7	-178.1	44.9	0	0	0	0	113
735	S	34.8	Very low	44.4	Very low	122 Å²	122	102.6 Å²	102.6	85%	0.853	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-101.2	119.6	175	60.6	0	0	0	0	112
736	T	32.9	Very low	41.9	Very low	133 Å²	133	107.5 Å²	107.5	82%	0.816	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-103	130.1	-169.8	-47	0	0	0	0	113.6
737	S	33.8	Very low	39.7	Very low	104 Å²	104	108.6 Å²	108.6	73%	0.727	72%	0.721	S	S	*	*			trans	-170.6	119.8	149	46.2	0	0	0	0	114.6
738	T	29.2	Very low	37.7	Very low	130 Å²	130	113.3 Å²	113.3	80%	0.798	74%	0.737	S	S	*	*			trans	17	139.9	131.5	51.4	0	0	0	0	119.6
739	S	29.5	Very low	35.6	Very low	98 Å²	98	117.8 Å²	117.8	69%	0.685	75%	0.746	S	S	*	*			cis	-174.6	169	22.2	45.1	0	0	0	0	115.3
740	T	27.2	Very low	33.7	Very low	126 Å²	126	118.5 Å²	118.5	77%	0.773	75%	0.747	S	S	*	*			trans	76.9	141	145.7	38.3	0	0	0	0	123.8
741	S	28.7	Very low	32.2	Very low	114 Å²	114	119.2 Å²	119.2	80%	0.797	75%	0.752	S	S	*	*			trans	66.3	108.1	154.9	49.6	0	0	0	0	122.2
742	S	30	Very low	32.7	Very low	111 Å²	111	121 Å²	121	78%	0.776	76%	0.757	S	S	*	*			trans	-71.5	170.6	140.9	49.7	0	0	0	0	110.4
743	P	44.1	Very low	33.4	Very low	104 Å²	104	122.2 Å²	122.2	68%	0.675	76%	0.758	S	S	*	*			cis	-150.1	161.8	32.2	43.3	-22.6	0	0	0	120.9
744	Q	26	Very low	32.6	Very low	181 Å²	181	122.5 Å²	122.5	85%	0.846	75%	0.753	S	S	*	*			trans	62.2	173.3	146	-74.7	-173	-17.7	0	0	118.9
745	P	45.4	Very low	32.4	Very low	104 Å²	104	122.6 Å²	122.6	68%	0.675	74%	0.744	S	S	*	*				-138.9	-175.6	-59.2	43	-27.3	0	0	0	114.5
746	M	24	Very low	32.2	Very low	163 Å²	163	122.4 Å²	122.4	80%	0.803	74%	0.738	S	S	*	*			trans	73.1	107.7	149.7	-68.3	-103.2	-72.8	0	0	122.2
747	S	26.5	Very low	32.1	Very low	86 Å²	86	122.2 Å²	122.2	60%	0.601	74%	0.736	S	S	*	*				67.8	135.6	110.5	-50.6	0	0	0	0	124
748	I	26.1	Very low	32	Very low	152 Å²	152	121.4 Å²	121.4	78%	0.779	74%	0.736	S	S	*	*			trans	73	141.1	139.8	-73.3	167.2	0	0	0	117.1
749	E	23.4	Very low	32.1	Very low	163 Å²	163	123.3 Å²	123.3	76%	0.762	74%	0.735	S	S	*	*			cis	-171.2	175.7	-14.1	-176.4	169.7	-139.1	0	0	109.3
750	S	23.1	Very low	32	Very low	95 Å²	95	127.3 Å²	127.3	66%	0.664	74%	0.744	S	S	*	*			trans	61.7	93.6	153.1	52.9	0	0	0	0	124
751	S	25	Very low	31.9	Very low	116 Å²	116	127.9 Å²	127.9	81%	0.811	74%	0.742	S	S	*	*				62	-169.9	114.6	-36.8	0	0	0	0	120
752	P	56.3	Low	32.6	Very low	117 Å²	117	127.9 Å²	127.9	76%	0.76	74%	0.739	S	S	*	*			trans	-125	-150.5	-130.7	34.4	-6.3	0	0	0	111
753	P	52.2	Low	32.7	Very low	103 Å²	103	129.1 Å²	129.1	67%	0.669	73%	0.732	S	S	*	*			cis	-145.5	-154.9	3.5	43.2	-19.6	0	0	0	116.1
754	D	27.5	Very low	32.1	Very low	134 Å²	134	132.9 Å²	132.9	72%	0.717	74%	0.735	S	S	*	*			trans	78.6	144	148.1	-87.2	39.4	0	0	0	121
755	N	34.6	Very low	32.4	Very low	119 Å²	119	129.6 Å²	129.6	64%	0.636	72%	0.722	S	S	*	*			cis	-166.8	-178.5	-18.6	-143	-37.5	0	0	0	112.1
756	T	31	Very low	31.6	Very low	117 Å²	117	131.8 Å²	131.8	72%	0.718	72%	0.723	S	S	*	*			trans	71.7	146.8	152.8	63.9	0	0	0	0	120.7
757	V	30.6	Very low	31.8	Very low	129 Å²	129	131.4 Å²	131.4	78%	0.782	72%	0.72	S	S	*	*			cis	-160.5	137.3	-16.3	122.7	0	0	0	0	111.4
758	A	31.3	Very low	32.3	Very low	87 Å²	87	132.4 Å²	132.4	72%	0.719	72%	0.724	S	S	*	*			trans	34.4	173.4	143.1	0	0	0	0	0	123
759	Q	31.5	Very low	32.3	Very low	170 Å²	170	131 Å²	131	79%	0.794	73%	0.728	S	S	*	*			cis	-164	144.6	8	-154.6	166.5	20.2	0	0	112.7
760	Q	26.8	Very low	32.9	Very low	183 Å²	183	129.3 Å²	129.3	86%	0.855	73%	0.731	S	S	*	*				158.3	152.4	128.1	-85.4	-175.6	-5.1	0	0	114.5
761	D	25.8	Very low	33.2	Very low	138 Å²	138	131.8 Å²	131.8	74%	0.738	74%	0.742	S	S	*	*			trans	-124.5	170.7	-162.6	-96	-59.3	0	0	0	110.7
762	P	43.7	Very low	33.4	Very low	113 Å²	113	129.7 Å²	129.7	73%	0.734	74%	0.738	S	S	*	*				-126.2	150	50	11.9	14.7	0	0	0	115.9
763	E	32.4	Very low	32.2	Very low	137 Å²	137	131 Å²	131	64%	0.64	74%	0.739	S	S	*	*				62.1	135.8	75.2	-61.4	-168	139.5	0	0	114.3
764	Y	31.1	Very low	31.3	Very low	184 Å²	184	135 Å²	135	72%	0.722	75%	0.746	S	S	*	*			cis	-161.7	167.2	10.9	-117.4	-159	0	0	0	106.7
765	L	32.9	Very low	31.7	Very low	111 Å²	111	137.1 Å²	137.1	58%	0.581	75%	0.749	S	S	*	*			cis	-163.3	-179	-13.9	-149	55.1	0	0	0	104.3
766	E	28.2	Very low	31.8	Very low	150 Å²	150	137.4 Å²	137.4	70%	0.701	75%	0.747	S	S	*	*			cis	-154	-175.6	10.5	-166.1	142.3	-143.2	0	0	112.9
767	Q	28.2	Very low	32.1	Very low	156 Å²	156	137.5 Å²	137.5	73%	0.729	74%	0.742	S	S	*	*			trans	-73.8	-171.3	-176.1	-64.1	175.9	29.6	0	0	117
768	P	37	Very low	32.4	Very low	107 Å²	107	138.1 Å²	138.1	70%	0.695	74%	0.736	S	S	*	*			cis	-131.5	171.9	-31.7	25.6	-6.1	0	0	0	114.1
769	S	25.8	Very low	32.7	Very low	123 Å²	123	139.5 Å²	139.5	86%	0.86	73%	0.728	S	S	*	*			trans	-156.8	154.8	149.1	-84.1	0	0	0	0	112
770	P	36.8	Very low	33.1	Very low	126 Å²	126	134.5 Å²	134.5	82%	0.818	71%	0.707	S	S	*	*			trans	-106.9	161.7	-156.4	39.5	-35.1	0	0	0	116.4
771	T	28.3	Very low	33.9	Very low	148 Å²	148	129.9 Å²	129.9	91%	0.908	69%	0.691	S	S	*	*			trans	-87.8	136.7	165.8	51	0	0	0	0	112.2
772	G	30.3	Very low	34.4	Very low	71 Å²	71	129.4 Å²	129.4	73%	0.732	68%	0.684	S	S	*	*			trans	176.1	145.7	167.6	0	0	0	0	0	113.5
773	D	30.8	Very low	34.3	Very low	144 Å²	144	129.6 Å²	129.6	77%	0.77	67%	0.67	S	S	*	*			trans	82.9	59.8	165.9	-57.3	-16.5	0	0	0	120.3
774	F	33.6	Very low	34.8	Very low	187 Å²	187	126 Å²	126	82%	0.82	66%	0.664	S	S	*	*	S	Bend	trans	-119.9	24.1	160.1	-124.4	-86	0	0	0	114.4
775	K	34.8	Very low	35.4	Very low	179 Å²	179	122.7 Å²	122.7	78%	0.778	66%	0.658	S	S	*	*	S	Bend	trans	-118	-19.4	175.5	-75.7	-167.8	171.3	-171.9	0	115.5
776	H	37.4	Very low	35.7	Very low	126 Å²	126	121.6 Å²	121.6	58%	0.583	66%	0.659	S	S	*	*	H	α-helix	trans	-72.1	-39.7	-179.7	-153.4	-70.7	0	0	0	112.6	Q778 E779 D780	H776-Q778 VanDerWaalsContact C-N 3.31Å; H776-Q778 PolarHBondContact O-N 2.91Å; H776-E779 PolarHBondContact O-N 3.34Å; H776-D780 IonicContact CE1-OD2 2.66Å; H776-D780 PolarHBondContact CE1-OD2 3.28Å; H776-D780 IonicContact ND1-OD2 2.7Å; H776-D780 PolarHBondContact ND1-OD2 3.47Å; H776-D780 PolarHBondContact O-N 2.81Å
777	L	37.1	Very low	36.3	Very low	118 Å²	118	123.5 Å²	123.5	62%	0.618	66%	0.66	S	S	*	*	H	α-helix	trans	-65.6	-28.3	-174.7	-74.9	163	0	0	0	114.1	T781	L777-T781 PolarHBondContact O-N 2.69Å; L777-T781 PolarHBondContact O-OG1 3.48Å
778	Q	36.1	Very low	36.7	Very low	143 Å²	143	120.2 Å²	120.2	67%	0.668	66%	0.66	S	S	*	*	H	α-helix	trans	-76.8	-41.9	-179.6	-164.6	164.9	5.9	0	0	111.4	H776 T781 E782	H776-Q778 VanDerWaalsContact C-N 3.31Å; H776-Q778 PolarHBondContact O-N 2.91Å; Q778-T781 PolarHBondContact O-N 2.97Å; Q778-E782 PolarHBondContact O-N 2.88Å
779	E	39	Very low	36.6	Very low	115 Å²	115	119.6 Å²	119.6	54%	0.537	66%	0.663	S	S	.	*	H	α-helix	trans	-69.4	-37.6	178.8	-67.1	-170.4	-170.1	0	0	113.3	H776 T781 R783	H776-E779 PolarHBondContact O-N 3.34Å; E779-T781 VanDerWaalsContact C-N 3.31Å; E779-T781 PolarHBondContact O-N 3.09Å; E779-R783 VanDerWaalsContact O-CB 3.26Å; E779-R783 WeakPolarHBondContact O-CB 3.22Å; E779-R783 PolarHBondContact O-N 3.37Å; E779-R783 VanDerWaalsContact O-N 3.12Å; E779-R783 IonicContact OE2-NH2 2.76Å; E779-R783 PolarHBondContact OE2-NH2 3.4Å
780	D	40.1	Very low	37.2	Very low	66 Å²	66	117.4 Å²	117.4	35%	0.353	65%	0.653	S	S	.	*	H	α-helix	trans	-68.9	-30.4	177.6	-78.6	-32.4	0	0	0	112.7	H776 R783 A784	H776-D780 IonicContact CE1-OD2 2.66Å; H776-D780 PolarHBondContact CE1-OD2 3.28Å; H776-D780 IonicContact ND1-OD2 2.7Å; H776-D780 PolarHBondContact ND1-OD2 3.47Å; H776-D780 PolarHBondContact O-N 2.81Å; D780-R783 PolarHBondContact O-N 2.89Å; D780-R783 IonicContact OD1-CZ 2.7Å; D780-R783 IonicContact OD1-NH1 2.94Å; D780-R783 PolarHBondContact OD1-NH1 3.22Å; D780-A784 WeakPolarHBondContact O-CB 3.4Å; D780-A784 PolarHBondContact O-N 2.9Å
781	T	41.7	Very low	37.4	Very low	85 Å²	85	120 Å²	120	52%	0.521	65%	0.654	S	S	.	*	H	α-helix	trans	-65.2	-46.4	177.1	-58.1	0	0	0	0	111.1	L777 Q778 E779 R783 A784 I785	L777-T781 PolarHBondContact O-N 2.69Å; L777-T781 PolarHBondContact O-OG1 3.48Å; Q778-T781 PolarHBondContact O-N 2.97Å; E779-T781 VanDerWaalsContact C-N 3.31Å; E779-T781 PolarHBondContact O-N 3.09Å; T781-R783 VanDerWaalsContact C-N 3.33Å; T781-R783 PolarHBondContact O-N 2.9Å; T781-A784 PolarHBondContact O-N 3.43Å; T781-I785 HydrophobicContact CG2-CD1 4.25Å; T781-I785 WeakPolarHBondContact O-CG1 3.36Å; T781-I785 PolarHBondContact O-N 3.29Å
782	E	37.8	Very low	37.6	Very low	128 Å²	128	121.9 Å²	121.9	60%	0.598	65%	0.653	S	S	*	*	H	α-helix	trans	-66.5	-34.4	175.8	-64.9	-174.7	151.3	0	0	112.4	Q778 S786	Q778-E782 PolarHBondContact O-N 2.88Å; E782-S786 WeakPolarHBondContact O-CB 3.46Å; E782-S786 PolarHBondContact O-N 3.44Å; E782-S786 VanDerWaalsContact O-N 3.14Å; E782-S786 PolarHBondContact O-OG 2.86Å
783	R	42	Very low	37.5	Very low	118 Å²	118	127.9 Å²	127.9	45%	0.445	66%	0.662	S	S	.	*	H	α-helix	trans	-71.3	-30.2	178.5	-164	178.7	-64	144.1	-1.3	112.9	E779 D780 T781	E779-R783 VanDerWaalsContact O-CB 3.26Å; E779-R783 WeakPolarHBondContact O-CB 3.22Å; E779-R783 PolarHBondContact O-N 3.37Å; E779-R783 VanDerWaalsContact O-N 3.12Å; E779-R783 IonicContact OE2-NH2 2.76Å; E779-R783 PolarHBondContact OE2-NH2 3.4Å; D780-R783 PolarHBondContact O-N 2.89Å; D780-R783 IonicContact OD1-CZ 2.7Å; D780-R783 IonicContact OD1-NH1 2.94Å; D780-R783 PolarHBondContact OD1-NH1 3.22Å; T781-R783 VanDerWaalsContact C-N 3.33Å; T781-R783 PolarHBondContact O-N 2.9Å
784	A	41.7	Very low	37.4	Very low	62 Å²	62	127.6 Å²	127.6	51%	0.512	66%	0.66	S	S	.	*	H	α-helix	trans	-72.4	-48.1	172.7	0	0	0	0	0	112.1	D780 T781 S786 R787 A788	D780-A784 WeakPolarHBondContact O-CB 3.4Å; D780-A784 PolarHBondContact O-N 2.9Å; T781-A784 PolarHBondContact O-N 3.43Å; A784-S786 PolarHBondContact O-N 3.31Å; A784-R787 PolarHBondContact O-N 2.84Å; A784-A788 PolarHBondContact O-N 2.98Å
785	I	44.1	Very low	37.2	Very low	114 Å²	114	129.2 Å²	129.2	59%	0.585	66%	0.661	S	S	*	*	H	α-helix	trans	-58.2	-39.4	178.8	-66.6	165.5	0	0	0	110.7	T781 R787 A788	T781-I785 HydrophobicContact CG2-CD1 4.25Å; T781-I785 WeakPolarHBondContact O-CG1 3.36Å; T781-I785 PolarHBondContact O-N 3.29Å; I785-R787 PolarHBondContact O-N 2.97Å; I785-A788 PolarHBondContact O-N 3.22Å
786	S	39.5	Very low	36.9	Very low	88 Å²	88	126.3 Å²	126.3	62%	0.615	66%	0.663	S	S	*	*	H	α-helix	trans	-67.7	-13.7	179.2	-59.6	0	0	0	0	114.6	E782 A784	E782-S786 WeakPolarHBondContact O-CB 3.46Å; E782-S786 PolarHBondContact O-N 3.44Å; E782-S786 VanDerWaalsContact O-N 3.14Å; E782-S786 PolarHBondContact O-OG 2.86Å; A784-S786 PolarHBondContact O-N 3.31Å
787	R	39.8	Very low	36.9	Very low	189 Å²	189	125.8 Å²	125.8	71%	0.713	67%	0.671	S	S	*	*	H	α-helix	trans	-95.7	-36.7	174.6	-72.3	-176.6	176.7	-178.7	0.1	112.9	A784 I785 A789 A790	A784-R787 PolarHBondContact O-N 2.84Å; I785-R787 PolarHBondContact O-N 2.97Å; R787-A789 PolarHBondContact O-N 3.3Å; R787-A790 PolarHBondContact O-N 2.82Å
788	A	37.8	Very low	36.4	Very low	88 Å²	88	128.9 Å²	128.9	73%	0.727	68%	0.682	S	S	*	*	H	α-helix	trans	-62.2	-25.4	177.7	0	0	0	0	0	113.2	A784 I785 A790	A784-A788 PolarHBondContact O-N 2.98Å; I785-A788 PolarHBondContact O-N 3.22Å; A788-A790 VanDerWaalsContact C-N 3.33Å; A788-A790 PolarHBondContact O-N 2.87Å
789	A	34.9	Very low	35.9	Very low	93 Å²	93	129.3 Å²	129.3	77%	0.769	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	2.4	-179.8	0	0	0	0	0	115.3	R787	R787-A789 PolarHBondContact O-N 3.3Å
790	A	37.9	Very low	35.3	Very low	78 Å²	78	130.8 Å²	130.8	65%	0.645	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-4.8	-168.1	0	0	0	0	0	115.9	R787 A788	R787-A790 PolarHBondContact O-N 2.82Å; A788-A790 VanDerWaalsContact C-N 3.33Å; A788-A790 PolarHBondContact O-N 2.87Å
791	E	40.2	Very low	34.7	Very low	180 Å²	180	134.4 Å²	134.4	84%	0.841	72%	0.724	S	S	*	*	S	Bend	trans	-122.2	24	-171.8	-63.6	-170.2	147.9	0	0	114.2
792	Q	33	Very low	33.9	Very low	188 Å²	188	137.9 Å²	137.9	88%	0.879	74%	0.739	S	S	*	*			trans	-132.7	62.3	171.9	-74.7	-161.9	-19.7	0	0	114
793	E	28.3	Very low	33.3	Very low	196 Å²	196	135.8 Å²	135.8	92%	0.916	74%	0.744	S	S	*	*			trans	-135.7	94	154.9	-78.9	-160.9	132.7	0	0	110.9
794	D	28.7	Very low	32.5	Very low	138 Å²	138	136.3 Å²	136.3	74%	0.738	77%	0.765	S	S	*	*	S	Bend		-163.7	142.7	120.9	-146.3	-11.2	0	0	0	113
795	R	29	Very low	31.7	Very low	222 Å²	222	137.7 Å²	137.7	84%	0.838	78%	0.777	S	S	*	*			trans	61.1	100.6	162.6	-78.7	154.6	-163.3	-146.7	-5.7	123.3
796	S	28	Very low	31.9	Very low	118 Å²	118	138 Å²	138	83%	0.825	79%	0.787	S	S	*	*			trans	-65.1	172.9	152.5	-64.1	0	0	0	0	114.7
797	P	38.8	Very low	32.4	Very low	115 Å²	115	139.1 Å²	139.1	75%	0.747	79%	0.791	S	S	*	*			trans	-118.9	-170.4	-145.4	46.3	-39.5	0	0	0	117.9
798	E	26.3	Very low	32.9	Very low	183 Å²	183	135.2 Å²	135.2	86%	0.855	79%	0.79	S	S	*	*			trans	65	118	157.9	-68.1	-167.4	170.1	0	0	122.5
799	V	25.7	Very low	32.4	Very low	151 Å²	151	135.5 Å²	135.5	92%	0.915	79%	0.787	S	S	*	*			trans	-143.7	151.6	144.8	-179.1	0	0	0	0	109.1
800	L	25.7	Very low	32	Very low	146 Å²	146	137.1 Å²	137.1	76%	0.764	79%	0.788	S	S	*	*			trans	-92.6	150.4	-164.2	-69.3	152.4	0	0	0	116.8
801	L	26.9	Very low	31.4	Very low	143 Å²	143	141.1 Å²	141.1	75%	0.749	80%	0.797	S	S	*	*			trans	43.6	125.7	140.9	-60.9	168.7	0	0	0	121.8
802	N	25.8	Very low	31	Very low	157 Å²	157	140.7 Å²	140.7	84%	0.84	80%	0.796	S	S	*	*				178.6	125	112.4	-94.6	-44.7	0	0	0	118
803	A	25.6	Very low	31.4	Very low	85 Å²	85	137.3 Å²	137.3	70%	0.702	79%	0.79	S	S	*	*			trans	42.4	141.9	134.9	0	0	0	0	0	126.5
804	S	24.5	Very low	31.2	Very low	128 Å²	128	135.9 Å²	135.9	90%	0.895	78%	0.783	S	S	*	*			trans	92.1	160.1	141.9	76.3	0	0	0	0	122.5
805	A	25.7	Very low	31.2	Very low	91 Å²	91	132.8 Å²	132.8	75%	0.752	78%	0.776	S	S	*	*			trans	-150.2	-166.6	-170	0	0	0	0	0	110
806	P	47.3	Very low	31.1	Very low	122 Å²	122	130 Å²	130	79%	0.792	77%	0.773	S	S	*	*			cis	-127.3	-110.8	-8.2	23.7	4.3	0	0	0	117
807	P	51.1	Low	31	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	77%	0.771	S	S	*	*				-121.3	-149.2	-126.3	43.5	-22.7	0	0	0	113.6
808	P	48.8	Very low	30.4	Very low	107 Å²	107	131.2 Å²	131.2	70%	0.695	77%	0.769	S	S	*	*			cis	-144.6	-171	-6.1	42.9	-21.6	0	0	0	118.8
809	S	27.5	Very low	31.1	Very low	95 Å²	95	128.7 Å²	128.7	66%	0.664	77%	0.768	S	S	*	*			trans	94.2	134.9	136.6	-73.7	0	0	0	0	126.4
810	T	27.2	Very low	31	Very low	127 Å²	127	126 Å²	126	78%	0.779	76%	0.761	S	S	*	*			trans	72.9	151.1	141.6	57	0	0	0	0	120.7
811	L	26.2	Very low	31.6	Very low	161 Å²	161	124.5 Å²	124.5	84%	0.843	76%	0.761	S	S	*	*			cis	-157.4	170.5	1.7	-124.7	166.1	0	0	0	113
812	Q	30.1	Very low	32.1	Very low	172 Å²	172	123.6 Å²	123.6	80%	0.804	76%	0.764	S	S	*	*			trans	-99.2	172.1	168.7	-68.3	179.6	-19.4	0	0	112.4
813	P	41.6	Very low	32.1	Very low	117 Å²	117	120.9 Å²	120.9	76%	0.76	76%	0.757	S	S	*	*				-148.1	173.1	112	41.3	-26.4	0	0	0	113.2
814	E	25.8	Very low	32.1	Very low	166 Å²	166	123.9 Å²	123.9	78%	0.776	76%	0.761	S	S	*	*			cis	-161.9	171.8	-12.3	-127.5	-160.8	-88.9	0	0	110.6
815	A	28.1	Very low	32.3	Very low	72 Å²	72	127.1 Å²	127.1	60%	0.595	76%	0.762	S	S	*	*			trans	47.2	153.9	143.9	0	0	0	0	0	122.7
816	Q	27.2	Very low	32.4	Very low	163 Å²	163	129.2 Å²	129.2	76%	0.762	77%	0.765	S	S	*	*			cis	-163.9	-175	-11.2	-110.6	177.8	72.5	0	0	107.1
817	M	25	Very low	31.5	Very low	158 Å²	158	133.2 Å²	133.2	78%	0.778	77%	0.77	S	S	*	*			cis	-141.8	-114.1	16.2	-160.1	-177.3	-174.9	0	0	113.6
818	S	26.7	Very low	30.4	Very low	101 Å²	101	136.9 Å²	136.9	71%	0.706	78%	0.777	S	S	*	*			trans	-166.9	175.2	-164.2	-29.1	0	0	0	0	111.8
819	P	40	Very low	29.4	Very low	131 Å²	131	136.5 Å²	136.5	85%	0.851	78%	0.783	S	S	*	*			cis	-132.4	-172.8	14.8	39.2	-18	0	0	0	117.9
820	A	24.8	Very low	29.6	Very low	93 Å²	93	141.6 Å²	141.6	77%	0.769	80%	0.797	S	S	*	*			trans	-98.2	-165.8	-164.8	0	0	0	0	0	114
821	P	37.7	Very low	29.7	Very low	116 Å²	116	139.8 Å²	139.8	75%	0.753	80%	0.795	S	S	*	*			cis	-134.9	-159.3	9.2	47.9	-29.1	0	0	0	113.8
822	P	37.3	Very low	30	Very low	124 Å²	124	136.1 Å²	136.1	81%	0.805	78%	0.78	S	S	*	*			cis	-128.4	-154	-6.9	43.6	-24.9	0	0	0	115
823	S	25.5	Very low	30.1	Very low	99 Å²	99	131.9 Å²	131.9	69%	0.692	77%	0.769	S	S	*	*			trans	-85	173.2	-152.6	-37.6	0	0	0	0	120.8
824	D	26.4	Very low	29.8	Very low	149 Å²	149	132 Å²	132	80%	0.797	76%	0.76	S	S	*	*			trans	70	109.9	149.5	-54.5	-29	0	0	0	121.5
825	Q	28.6	Very low	30.6	Very low	196 Å²	196	130.2 Å²	130.2	92%	0.916	75%	0.746	S	S	*	*				-164.6	167	92.7	-98.7	-177.9	2.4	0	0	112
826	V	27.2	Very low	31.1	Very low	135 Å²	135	131.3 Å²	131.3	82%	0.818	75%	0.745	S	S	*	*			trans	-93	145.1	-170.8	175.6	0	0	0	0	111.4	E828	V826-E828 PolarHBondContact O-N 3.26Å
827	K	29.6	Very low	31.7	Very low	206 Å²	206	125.5 Å²	125.5	90%	0.896	72%	0.721	S	S	*	*			trans	-79.1	111.6	163.9	-75.7	-169.1	172.2	-165.2	0	110
828	E	26.9	Very low	32.5	Very low	186 Å²	186	120.8 Å²	120.8	87%	0.869	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-79.6	160.4	157.5	-66.2	-174.7	134.1	0	0	109.9	V826	V826-E828 PolarHBondContact O-N 3.26Å
829	A	27.5	Very low	33.3	Very low	99 Å²	99	116.6 Å²	116.6	82%	0.818	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-90	147.5	176.1	0	0	0	0	0	110.2	A831	A829-A831 PolarHBondContact O-N 3.49Å
830	E	31.5	Very low	33.3	Very low	202 Å²	202	112 Å²	112	94%	0.944	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-65	132.8	179.3	-66.5	167	139.2	0	0	110.6
831	A	30.5	Very low	34.2	Very low	89 Å²	89	107.9 Å²	107.9	74%	0.736	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-92.1	153	-178.3	0	0	0	0	0	111.6	A829	A829-A831 PolarHBondContact O-N 3.49Å
832	P	32.4	Very low	34.1	Very low	84 Å²	84	105.3 Å²	105.3	55%	0.545	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-65.7	149.9	174.9	29	-35.3	0	0	0	111.7
833	C	31.4	Very low	34	Very low	84 Å²	84	108.3 Å²	108.3	57%	0.568	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-78.4	127.2	-179.8	-160.2	0	0	0	0	110.7
834	Q	36.2	Very low	34.7	Very low	120 Å²	120	105.6 Å²	105.6	56%	0.561	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.4	131.2	179.6	-67.7	177	-31.2	0	0	110.5	E852	Q834-E852 HydrophobicContact CG-CG 4.27Å
835	R	41.5	Very low	35.4	Very low	128 Å²	128	100.3 Å²	100.3	48%	0.483	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.8	114.1	-179.1	-177.6	-179	-174.6	-173.5	-0.9	109.4	V837 S851	R835-V837 HydrophobicContact CG-CG2 4.44Å; R835-S851 PolarHBondContact N-O 3.23Å; R835-S851 PolarHBondContact O-N 3.04Å; R835-S851 PolarHBondContact O-OG 3.26Å
836	T	39.1	Very low	36	Very low	95 Å²	95	93.3 Å²	93.3	58%	0.583	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	137.6	172.9	37.2	0	0	0	0	112.1	V848 I849 E850	T836-V848 HydrophobicContact CG2-CG1 4.41Å; T836-I849 CarbonylContact C-O 3.58Å; T836-I849 WeakPolarHBondContact CA-O 3.28Å; T836-E850 HydrophobicContact CG2-CG 3.86Å
837	V	40.2	Very low	36.9	Very low	41 Å²	41	88.3 Å²	88.3	25%	0.248	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	170.9	171.7	-162.2	0	0	0	0	107.8	R835 I849 Y856	R835-V837 HydrophobicContact CG-CG2 4.44Å; V837-I849 HydrophobicContact CB-CB 4.26Å; V837-I849 PolarHBondContact N-O 3.16Å; V837-I849 WeakPolarHBondContact O-CA 3.38Å; V837-I849 VanDerWaalsContact O-CB 3.29Å; V837-I849 WeakPolarHBondContact O-CB 3.32Å; V837-I849 PolarHBondContact O-N 3.25Å; V837-Y856 HydrophobicContact CB-CE1 4.44Å; V837-Y856 WeakPolarHBondContact CB-OH 3.37Å; V837-Y856 WeakPolarHBondContact CG1-OH 3.44Å; V837-Y856 HydrophobicContact CG2-CE1 4.44Å
838	E	42	Very low	37.5	Very low	58 Å²	58	82.1 Å²	82.1	27%	0.271	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127.9	177	-74.5	-178.1	170.6	0	0	111.6	R385 T846 F847 V848	R385-E838 WeakPolarHBondContact CD-OE2 3.49Å; R385-E838 PolarHBondContact NH1-O 3.45Å; R385-E838 IonicContact NH1-OE2 3.31Å; R385-E838 PolarHBondContact NH1-OE2 2.99Å; E838-T846 HydrophobicContact CB-CG2 4.22Å; E838-F847 VanDerWaalsContact CA-O 3.31Å; E838-F847 WeakPolarHBondContact CA-O 3.34Å; E838-V848 HydrophobicContact CG-CB 4.48Å; E838-V848 HydrophobicContact CG-CG1 4.49Å; E838-V848 HydrophobicContact CG-CG2 4.19Å
839	V	43.4	Very low	38.4	Very low	13 Å²	13	73.3 Å²	73.3	8%	0.079	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.3	175.9	175.8	0	0	0	0	109.8	I841 F847 I849 Y856 M861	V839-I841 HydrophobicContact CG1-CD1 4.44Å; V839-I841 HydrophobicContact CG1-CG1 3.9Å; V839-F847 PolarHBondContact N-O 3.05Å; V839-F847 VanDerWaalsContact N-O 3.1Å; V839-F847 PolarHBondContact O-N 3.48Å; V839-I849 HydrophobicContact CB-CD1 3.89Å; V839-I849 HydrophobicContact CG2-CD1 3.47Å; V839-I849 VanDerWaalsContact CG2-CD1 3.47Å; V839-Y856 HydrophobicContact CG2-CE2 4.14Å; V839-M861 HydrophobicContact CB-CE 4.22Å; V839-M861 HydrophobicContact CG1-CE 4.26Å; V839-M861 HydrophobicContact CG2-CE 4.14Å
840	A	39.9	Very low	39.2	Very low	34 Å²	34	73.3 Å²	73.3	28%	0.281	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.2	176.1	0	0	0	0	0	109.7	T846	A840-T846 HydrophobicContact CB-CG2 4.47Å
841	I	43.7	Very low	39.7	Very low	7 Å²	7	64.3 Å²	64.3	4%	0.036	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.6	-172.1	-58.7	176.7	0	0	0	109.6	V839 H843 V844 G845 F847 Q867 I870	V839-I841 HydrophobicContact CG1-CD1 4.44Å; V839-I841 HydrophobicContact CG1-CG1 3.9Å; I841-H843 PolarHBondContact O-N 3.26Å; I841-V844 HydrophobicContact CB-CB 4.1Å; I841-V844 HydrophobicContact CB-CG2 4.27Å; I841-V844 HydrophobicContact CG2-CB 4Å; I841-V844 HydrophobicContact CG2-CG2 3.61Å; I841-V844 PolarHBondContact O-N 3.46Å; I841-G845 PolarHBondContact N-O 3.31Å; I841-G845 PolarHBondContact O-N 2.88Å; I841-G845 VanDerWaalsContact O-N 3.12Å; I841-F847 HydrophobicContact CD1-CD2 3.94Å; I841-F847 HydrophobicContact CD1-CE2 4.08Å; I841-F847 HydrophobicContact CG1-CD2 4.43Å; I841-Q867 HydrophobicContact CG2-CB 4.06Å; I841-Q867 HydrophobicContact CG2-CG 4.11Å; I841-I870 HydrophobicContact CD1-CB 3.79Å; I841-I870 HydrophobicContact CD1-CD1 3.54Å; I841-I870 HydrophobicContact CD1-CG1 4.26Å; I841-I870 HydrophobicContact CD1-CG2 3.41Å; I841-I870 VanDerWaalsContact CD1-CG2 3.41Å
842	P	35.9	Very low	40.2	Very low	63 Å²	63	64.9 Å²	64.9	41%	0.409	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	126.6	-178.3	-29.6	35.9	0	0	0	113.1	V844	P842-V844 PolarHBondContact O-N 2.82Å
843	H	35.1	Very low	40.4	Very low	186 Å²	186	69.4 Å²	69.4	86%	0.861	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	17.8	-179	-41.1	-65.9	0	0	0	115.8	I841 M871	I841-H843 PolarHBondContact O-N 3.26Å; H843-M871 HydrophobicContact CB-CE 4.31Å
844	V	39.8	Very low	41.3	Very low	43 Å²	43	68.6 Å²	68.6	26%	0.261	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-42.1	173.4	-163.5	0	0	0	0	112	I841 P842 F847 M871	I841-V844 HydrophobicContact CB-CB 4.1Å; I841-V844 HydrophobicContact CB-CG2 4.27Å; I841-V844 HydrophobicContact CG2-CB 4Å; I841-V844 HydrophobicContact CG2-CG2 3.61Å; I841-V844 PolarHBondContact O-N 3.46Å; P842-V844 PolarHBondContact O-N 2.82Å; V844-F847 HydrophobicContact CB-CE2 4.23Å; V844-F847 HydrophobicContact CG1-CE2 3.67Å; V844-F847 HydrophobicContact CG1-CZ 3.69Å; V844-M871 HydrophobicContact CG2-CB 3.55Å; V844-M871 HydrophobicContact CG2-CE 3.69Å; V844-M871 HydrophobicContact CG2-CG 3.78Å
845	G	40.4	Very low	41.8	Very low	37 Å²	37	64.2 Å²	64.2	38%	0.381	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	124.1	-176	-179	0	0	0	0	0	113.2	I841	I841-G845 PolarHBondContact N-O 3.31Å; I841-G845 PolarHBondContact O-N 2.88Å; I841-G845 VanDerWaalsContact O-N 3.12Å
846	T	43	Very low	42.4	Very low	50 Å²	50	60.2 Å²	60.2	31%	0.307	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.5	174.5	-45.5	0	0	0	0	110.3	E838 A840	E838-T846 HydrophobicContact CB-CG2 4.22Å; A840-T846 HydrophobicContact CB-CG2 4.47Å
847	F	44.2	Very low	43.7	Very low	29 Å²	29	58.5 Å²	58.5	13%	0.127	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132	173.4	-65.3	-93.3	0	0	0	110.1	E838 V839 I841 V844 I870 F948	E838-F847 VanDerWaalsContact CA-O 3.31Å; E838-F847 WeakPolarHBondContact CA-O 3.34Å; V839-F847 PolarHBondContact N-O 3.05Å; V839-F847 VanDerWaalsContact N-O 3.1Å; V839-F847 PolarHBondContact O-N 3.48Å; I841-F847 HydrophobicContact CD1-CD2 3.94Å; I841-F847 HydrophobicContact CD1-CE2 4.08Å; I841-F847 HydrophobicContact CG1-CD2 4.43Å; V844-F847 HydrophobicContact CB-CE2 4.23Å; V844-F847 HydrophobicContact CG1-CE2 3.67Å; V844-F847 HydrophobicContact CG1-CZ 3.69Å; F847-I870 HydrophobicContact CD2-CG2 4.32Å; F847-I870 HydrophobicContact CE2-CG2 3.85Å; F847-I870 HydrophobicContact CZ-CG2 4.01Å; F847-F948 HydrophobicContact CB-CD2 4.25Å; F847-F948 HydrophobicContact CB-CE2 3.75Å; F847-F948 HydrophobicContact CD1-CE2 4.17Å; F847-F948 AromaticContact CG-CE2 3.97Å; F847-F948 HydrophobicContact CG-CE2 3.97Å
848	V	43.1	Very low	44.9	Very low	77 Å²	77	60.4 Å²	60.4	47%	0.467	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	136.2	168.6	-172.2	0	0	0	0	108.6	T836 E838	T836-V848 HydrophobicContact CG2-CG1 4.41Å; E838-V848 HydrophobicContact CG-CB 4.48Å; E838-V848 HydrophobicContact CG-CG1 4.49Å; E838-V848 HydrophobicContact CG-CG2 4.19Å
849	I	46.3	Very low	46	Very low	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	109.4	-170.7	-58	-164.5	0	0	0	109	T836 V837 V839 S851 Y856 M861 F948	T836-I849 CarbonylContact C-O 3.58Å; T836-I849 WeakPolarHBondContact CA-O 3.28Å; V837-I849 HydrophobicContact CB-CB 4.26Å; V837-I849 PolarHBondContact N-O 3.16Å; V837-I849 WeakPolarHBondContact O-CA 3.38Å; V837-I849 VanDerWaalsContact O-CB 3.29Å; V837-I849 WeakPolarHBondContact O-CB 3.32Å; V837-I849 PolarHBondContact O-N 3.25Å; V839-I849 HydrophobicContact CB-CD1 3.89Å; V839-I849 HydrophobicContact CG2-CD1 3.47Å; V839-I849 VanDerWaalsContact CG2-CD1 3.47Å; I849-S851 PolarHBondContact O-N 2.8Å; I849-Y856 HydrophobicContact CB-CE1 4.43Å; I849-Y856 HydrophobicContact CD1-CE1 4.03Å; I849-Y856 HydrophobicContact CD1-CE2 4.2Å; I849-Y856 HydrophobicContact CG2-CD1 3.98Å; I849-Y856 HydrophobicContact CG2-CE1 3.43Å; I849-Y856 VanDerWaalsContact CG2-CE1 3.43Å; I849-M861 HydrophobicContact CD1-CE 4.01Å; I849-F948 CarbonylContact C-O 3.32Å; I849-F948 WeakPolarHBondContact CA-O 3.26Å; I849-F948 HydrophobicContact CB-CB 3.86Å; I849-F948 HydrophobicContact CD1-CB 3.68Å; I849-F948 HydrophobicContact CD1-CD2 4.03Å; I849-F948 HydrophobicContact CD1-CG 3.96Å; I849-F948 HydrophobicContact CG1-CB 3.65Å; I849-F948 HydrophobicContact CG1-CD2 3.8Å; I849-F948 HydrophobicContact CG1-CG 4.05Å; I849-F948 HydrophobicContact CG2-CB 3.36Å
850	E	43.8	Very low	47.3	Very low	100 Å²	100	66.4 Å²	66.4	47%	0.467	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	91.4	175.1	-73.5	177.1	-170.6	0	0	109.5	T836 F948	T836-E850 HydrophobicContact CG2-CG 3.86Å; E850-F948 PolarHBondContact N-O 3.13Å
851	S	41.7	Very low	48.8	Very low	12 Å²	12	64.9 Å²	64.9	8%	0.084	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.9	-176.7	67.3	0	0	0	0	112.7	R835 I849	R835-S851 PolarHBondContact N-O 3.23Å; R835-S851 PolarHBondContact O-N 3.04Å; R835-S851 PolarHBondContact O-OG 3.26Å; I849-S851 PolarHBondContact O-N 2.8Å
852	E	41.4	Very low	49.9	Very low	102 Å²	102	69.2 Å²	69.2	48%	0.477	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	158.2	155.8	-70.1	171.9	-172.6	0	0	108.8	Q834 G854 G855	Q834-E852 HydrophobicContact CG-CG 4.27Å; E852-G854 PolarHBondContact O-N 2.91Å; E852-G854 VanDerWaalsContact O-N 3.1Å; E852-G855 PolarHBondContact O-N 3.33Å
853	E	37.2	Very low	51.9	Low	178 Å²	178	67.4 Å²	67.4	83%	0.832	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	115.1	-165.4	-64.7	-171.2	114.8	0	0	114.1
854	G	49.1	Very low	53.9	Low	68 Å²	68	59.9 Å²	59.9	70%	0.701	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	20	173.9	0	0	0	0	0	116.3	E852 Y856	E852-G854 PolarHBondContact O-N 2.91Å; E852-G854 VanDerWaalsContact O-N 3.1Å; G854-Y856 PolarHBondContact O-N 3.23Å
855	G	46.4	Very low	55.9	Low	27 Å²	27	59 Å²	59	28%	0.278	33%	0.331	S	S	.	.			trans	-60.1	-42.3	-171.6	0	0	0	0	0	117.9	E852	E852-G855 PolarHBondContact O-N 3.33Å
856	Y	54.2	Low	58.1	Low	45 Å²	45	57.5 Å²	57.5	18%	0.176	31%	0.314	C	S	.	.			trans	-150.7	171.6	-168.8	78.8	-83.1	0	0	0	115	V837 V839 I849 G854 D858 M861 N945	V837-Y856 HydrophobicContact CB-CE1 4.44Å; V837-Y856 WeakPolarHBondContact CB-OH 3.37Å; V837-Y856 WeakPolarHBondContact CG1-OH 3.44Å; V837-Y856 HydrophobicContact CG2-CE1 4.44Å; V839-Y856 HydrophobicContact CG2-CE2 4.14Å; I849-Y856 HydrophobicContact CB-CE1 4.43Å; I849-Y856 HydrophobicContact CD1-CE1 4.03Å; I849-Y856 HydrophobicContact CD1-CE2 4.2Å; I849-Y856 HydrophobicContact CG2-CD1 3.98Å; I849-Y856 HydrophobicContact CG2-CE1 3.43Å; I849-Y856 VanDerWaalsContact CG2-CE1 3.43Å; G854-Y856 PolarHBondContact O-N 3.23Å; Y856-D858 VanDerWaalsContact CE2-OD1 3.25Å; Y856-D858 WeakPolarHBondContact CE2-OD1 3.22Å; Y856-D858 PolarHBondContact OH-OD1 3.29Å; Y856-M861 HydrophobicContact CD2-CG 3.53Å; Y856-M861 HydrophobicContact CD2-SD 4.42Å; Y856-M861 HydrophobicContact CE2-CG 3.9Å; Y856-N945 VanDerWaalsContact CA-OD1 3.28Å; Y856-N945 WeakPolarHBondContact CA-OD1 3.21Å
857	D	66.8	Low	60	Low	58 Å²	58	57.1 Å²	57.1	31%	0.31	31%	0.309	S	S	.	.			trans	-120.1	121.9	-173.8	-178.7	-43	0	0	0	111.3	E859 I860 M861 N945	D857-E859 PolarHBondContact OD1-N 3.14Å; D857-I860 HydrophobicContact CB-CB 4.11Å; D857-I860 HydrophobicContact CB-CD1 3.89Å; D857-I860 HydrophobicContact CB-CG1 4.02Å; D857-I860 PolarHBondContact O-N 2.9Å; D857-I860 PolarHBondContact OD1-N 3.27Å; D857-M861 VanDerWaalsContact O-CG 3.27Å; D857-M861 WeakPolarHBondContact O-CG 3.47Å; D857-M861 PolarHBondContact O-N 3.09Å; D857-N945 PolarHBondContact N-OD1 3.36Å
858	D	65.5	Low	61.9	Low	82 Å²	82	56 Å²	56	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-67.8	-32.8	-176.4	-75	-40.9	0	0	0	113.5	Y856 M861 M862	Y856-D858 VanDerWaalsContact CE2-OD1 3.25Å; Y856-D858 WeakPolarHBondContact CE2-OD1 3.22Å; Y856-D858 PolarHBondContact OH-OD1 3.29Å; D858-M861 PolarHBondContact O-N 3.37Å; D858-M862 WeakPolarHBondContact O-CG 3.46Å; D858-M862 PolarHBondContact O-N 2.88Å; D858-M862 VanDerWaalsContact O-N 3.15Å
859	E	65.5	Low	64	Low	141 Å²	141	52.4 Å²	52.4	66%	0.659	28%	0.284	S	S	*	.	H	α-helix	trans	-68.9	-42.1	176	-70.1	-166.4	-170.8	0	0	110.2	D857 M862 T863	D857-E859 PolarHBondContact OD1-N 3.14Å; E859-M862 PolarHBondContact O-N 2.85Å; E859-T863 PolarHBondContact O-N 3.09Å
860	I	70.1	Confident	66	Low	56 Å²	56	52.4 Å²	52.4	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-64.8	-41.7	176.9	-60	176.4	0	0	0	110.6	D857 M862 T863 M866 N945	D857-I860 HydrophobicContact CB-CB 4.11Å; D857-I860 HydrophobicContact CB-CD1 3.89Å; D857-I860 HydrophobicContact CB-CG1 4.02Å; D857-I860 PolarHBondContact O-N 2.9Å; D857-I860 PolarHBondContact OD1-N 3.27Å; I860-M862 PolarHBondContact O-N 2.99Å; I860-T863 WeakPolarHBondContact O-CB 3.48Å; I860-T863 PolarHBondContact O-N 2.84Å; I860-T863 PolarHBondContact O-OG1 3Å; I860-M866 HydrophobicContact CG2-CE 4.02Å; I860-M866 WeakPolarHBondContact O-CB 3.23Å; I860-N945 WeakPolarHBondContact CG2-ND2 3.49Å
861	M	71.8	Confident	67.9	Low	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-58.7	-33.1	175.4	-74.9	-70.4	-86.2	0	0	113.4	V839 I849 Y856 D857 D858 M866 I870 N945 F948	V839-M861 HydrophobicContact CB-CE 4.22Å; V839-M861 HydrophobicContact CG1-CE 4.26Å; V839-M861 HydrophobicContact CG2-CE 4.14Å; I849-M861 HydrophobicContact CD1-CE 4.01Å; Y856-M861 HydrophobicContact CD2-CG 3.53Å; Y856-M861 HydrophobicContact CD2-SD 4.42Å; Y856-M861 HydrophobicContact CE2-CG 3.9Å; D857-M861 VanDerWaalsContact O-CG 3.27Å; D857-M861 WeakPolarHBondContact O-CG 3.47Å; D857-M861 PolarHBondContact O-N 3.09Å; D858-M861 PolarHBondContact O-N 3.37Å; M861-M866 HydrophobicContact SD-CG 3.8Å; M861-I870 HydrophobicContact CE-CD1 3.87Å; M861-I870 HydrophobicContact SD-CD1 3.88Å; M861-N945 HydrophobicContact SD-CB 4.43Å; M861-F948 HydrophobicContact CE-CD1 3.63Å; M861-F948 HydrophobicContact CE-CE1 3.67Å; M861-F948 HydrophobicContact CE-CG 4.15Å; M861-F948 HydrophobicContact CE-CZ 4.22Å; M861-F948 HydrophobicContact SD-CD1 4.28Å; M861-F948 HydrophobicContact SD-CE1 4.27Å
862	M	67.6	Low	70	Confident	99 Å²	99	49.1 Å²	49.1	49%	0.488	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.8	176.7	-68.9	-60.5	-77.6	0	0	114.4	D858 E859 I860 Q867	D858-M862 WeakPolarHBondContact O-CG 3.46Å; D858-M862 PolarHBondContact O-N 2.88Å; D858-M862 VanDerWaalsContact O-N 3.15Å; E859-M862 PolarHBondContact O-N 2.85Å; I860-M862 PolarHBondContact O-N 2.99Å; M862-Q867 PolarHBondContact O-NE2 3.29Å
863	T	76.5	Confident	72.2	Confident	25 Å²	25	44.3 Å²	44.3	15%	0.153	25%	0.245	C	C	.	.	S	Bend	trans	-68.2	147.9	174.2	63.8	0	0	0	0	112.4	E859 I860 N865 M866 Q867	E859-T863 PolarHBondContact O-N 3.09Å; I860-T863 WeakPolarHBondContact O-CB 3.48Å; I860-T863 PolarHBondContact O-N 2.84Å; I860-T863 PolarHBondContact O-OG1 3Å; T863-N865 PolarHBondContact O-N 3.44Å; T863-N865 VanDerWaalsContact O-N 3.14Å; T863-M866 PolarHBondContact O-N 3.31Å; T863-M866 PolarHBondContact OG1-N 3.16Å; T863-Q867 WeakPolarHBondContact O-CG 3.47Å; T863-Q867 PolarHBondContact O-N 3.06Å
864	P	78.3	Confident	74.5	Confident	28 Å²	28	36.9 Å²	36.9	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-53.3	-34.8	173.1	-28.2	35.1	0	0	0	113.7	G868 H917 H918	P864-G868 PolarHBondContact O-N 3.09Å; P864-H917 HydrophobicContact CB-CB 4.2Å; P864-H917 HydrophobicContact CG-CB 4.38Å; P864-H918 VanDerWaalsContact C-CE1 3.46Å; P864-H918 PolarHBondContact O-CE1 3.33Å; P864-H918 VanDerWaalsContact O-CE1 3.28Å
865	N	81.8	Confident	76.1	Confident	24 Å²	24	39.8 Å²	39.8	13%	0.128	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-56	173.5	-69.1	-65.4	0	0	0	111.4	T863 G868 I869 H917 H918 Q940	T863-N865 PolarHBondContact O-N 3.44Å; T863-N865 VanDerWaalsContact O-N 3.14Å; N865-G868 PolarHBondContact O-N 2.65Å; N865-I869 WeakPolarHBondContact O-CD1 3.45Å; N865-I869 VanDerWaalsContact O-CG1 3.28Å; N865-I869 WeakPolarHBondContact O-CG1 3.45Å; N865-I869 PolarHBondContact O-N 2.96Å; N865-H917 PolarHBondContact ND2-O 3.37Å; N865-H918 PolarHBondContact OD1-ND1 2.95Å; N865-Q940 PolarHBondContact OD1-NE2 3.03Å
866	M	85	Confident	78.1	Confident	6 Å²	6	38.5 Å²	38.5	3%	0.03	20%	0.197	C	C	.	.	H	α-helix	trans	-69.8	-42.2	-173.2	-161.4	55.6	67.4	0	0	112.2	I860 M861 T863 G868 I869 I870 D943 N945 L946	I860-M866 HydrophobicContact CG2-CE 4.02Å; I860-M866 WeakPolarHBondContact O-CB 3.23Å; M861-M866 HydrophobicContact SD-CG 3.8Å; T863-M866 PolarHBondContact O-N 3.31Å; T863-M866 PolarHBondContact OG1-N 3.16Å; M866-G868 VanDerWaalsContact C-N 3.26Å; M866-G868 PolarHBondContact O-N 3.39Å; M866-I869 PolarHBondContact O-N 3.33Å; M866-I869 HydrophobicContact SD-CD1 4.37Å; M866-I870 HydrophobicContact CG-CD1 3.89Å; M866-I870 VanDerWaalsContact O-CG1 3.31Å; M866-I870 WeakPolarHBondContact O-CG1 3.29Å; M866-I870 PolarHBondContact O-N 3.29Å; M866-I870 HydrophobicContact SD-CD1 4.44Å; M866-D943 HydrophobicContact CE-CB 3.98Å; M866-D943 WeakPolarHBondContact CE-OD2 3.42Å; M866-N945 HydrophobicContact CE-CB 4.13Å; M866-L946 HydrophobicContact SD-CD1 4.4Å; M866-L946 HydrophobicContact SD-CD2 3.44Å; M866-L946 WeakPolarHBondContact SD-CD2 3.49Å; M866-L946 HydrophobicContact SD-CG 3.73Å
867	Q	82.8	Confident	79.4	Confident	42 Å²	42	37.4 Å²	37.4	20%	0.196	20%	0.196	C	C	.	.	H	α-helix	trans	-58.1	-38.8	172.7	-65.1	-175.7	-8.3	0	0	112.1	I841 M862 T863 M871	I841-Q867 HydrophobicContact CG2-CB 4.06Å; I841-Q867 HydrophobicContact CG2-CG 4.11Å; M862-Q867 PolarHBondContact O-NE2 3.29Å; T863-Q867 WeakPolarHBondContact O-CG 3.47Å; T863-Q867 PolarHBondContact O-N 3.06Å; Q867-M871 WeakPolarHBondContact O-CB 3.21Å; Q867-M871 PolarHBondContact O-N 3.18Å
868	G	84.1	Confident	80.1	Confident	6 Å²	6	37.9 Å²	37.9	6%	0.062	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-54.2	174.1	0	0	0	0	0	112.7	P864 N865 M866 I870 M871 A872 R899	P864-G868 PolarHBondContact O-N 3.09Å; N865-G868 PolarHBondContact O-N 2.65Å; M866-G868 VanDerWaalsContact C-N 3.26Å; M866-G868 PolarHBondContact O-N 3.39Å; G868-I870 VanDerWaalsContact C-N 3.33Å; G868-I870 PolarHBondContact O-N 3.06Å; G868-M871 WeakPolarHBondContact O-CA 3.22Å; G868-M871 WeakPolarHBondContact O-CB 3.49Å; G868-M871 PolarHBondContact O-N 2.88Å; G868-M871 VanDerWaalsContact O-N 3.12Å; G868-A872 PolarHBondContact O-N 3.25Å; G868-R899 VanDerWaalsContact CA-NH1 3.3Å
869	I	88.6	Confident	81	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-45.5	-179.4	-65	155.6	0	0	0	110.8	N865 M866 M871 A872 I873 E896 Q940 F941 L946	N865-I869 WeakPolarHBondContact O-CD1 3.45Å; N865-I869 VanDerWaalsContact O-CG1 3.28Å; N865-I869 WeakPolarHBondContact O-CG1 3.45Å; N865-I869 PolarHBondContact O-N 2.96Å; M866-I869 PolarHBondContact O-N 3.33Å; M866-I869 HydrophobicContact SD-CD1 4.37Å; I869-M871 PolarHBondContact O-N 3.21Å; I869-A872 WeakPolarHBondContact O-CB 3.05Å; I869-A872 PolarHBondContact O-N 3.07Å; I869-A872 VanDerWaalsContact O-N 3.12Å; I869-I873 HydrophobicContact CG2-CD1 4.04Å; I869-I873 WeakPolarHBondContact O-CG1 3.38Å; I869-I873 PolarHBondContact O-N 3.27Å; I869-E896 HydrophobicContact CG1-CG 4.27Å; I869-E896 PolarHBondContact N-OE2 2.98Å; I869-Q940 HydrophobicContact CD1-CB 3.77Å; I869-Q940 HydrophobicContact CD1-CG 4.42Å; I869-F941 HydrophobicContact CG1-CE2 4.37Å; I869-F941 HydrophobicContact CG2-CD1 3.9Å; I869-F941 HydrophobicContact CG2-CD2 4.28Å; I869-F941 HydrophobicContact CG2-CE1 3.77Å; I869-F941 HydrophobicContact CG2-CE2 4.16Å; I869-F941 HydrophobicContact CG2-CG 4.17Å; I869-F941 HydrophobicContact CG2-CZ 3.9Å; I869-L946 HydrophobicContact CG2-CD1 3.94Å; I869-L946 HydrophobicContact CG2-CD2 4.01Å
870	I	86.9	Confident	82	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.6	-36	179.5	-59.6	164.4	0	0	0	111	I841 F847 M861 M866 G868 A872 I873 G874 L946 F948	I841-I870 HydrophobicContact CD1-CB 3.79Å; I841-I870 HydrophobicContact CD1-CD1 3.54Å; I841-I870 HydrophobicContact CD1-CG1 4.26Å; I841-I870 HydrophobicContact CD1-CG2 3.41Å; I841-I870 VanDerWaalsContact CD1-CG2 3.41Å; F847-I870 HydrophobicContact CD2-CG2 4.32Å; F847-I870 HydrophobicContact CE2-CG2 3.85Å; F847-I870 HydrophobicContact CZ-CG2 4.01Å; M861-I870 HydrophobicContact CE-CD1 3.87Å; M861-I870 HydrophobicContact SD-CD1 3.88Å; M866-I870 HydrophobicContact CG-CD1 3.89Å; M866-I870 VanDerWaalsContact O-CG1 3.31Å; M866-I870 WeakPolarHBondContact O-CG1 3.29Å; M866-I870 PolarHBondContact O-N 3.29Å; M866-I870 HydrophobicContact SD-CD1 4.44Å; G868-I870 VanDerWaalsContact C-N 3.33Å; G868-I870 PolarHBondContact O-N 3.06Å; I870-A872 VanDerWaalsContact C-N 3.3Å; I870-A872 PolarHBondContact O-N 2.99Å; I870-I873 PolarHBondContact O-N 2.82Å; I870-G874 PolarHBondContact O-N 2.91Å; I870-L946 HydrophobicContact CD1-CD2 4.29Å; I870-L946 HydrophobicContact CG1-CD2 3.71Å; I870-F948 HydrophobicContact CD1-CE1 3.56Å; I870-F948 HydrophobicContact CD1-CZ 3.67Å; I870-F948 HydrophobicContact CG1-CE1 3.88Å; I870-F948 HydrophobicContact CG1-CZ 3.83Å; I870-F948 HydrophobicContact CG2-CZ 3.83Å
871	M	84.3	Confident	82.8	Confident	39 Å²	39	35.9 Å²	35.9	19%	0.192	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-39.8	169.7	-175.2	-178	-65	0	0	112.1	H843 V844 Q867 G868 I869 K875	H843-M871 HydrophobicContact CB-CE 4.31Å; V844-M871 HydrophobicContact CG2-CB 3.55Å; V844-M871 HydrophobicContact CG2-CE 3.69Å; V844-M871 HydrophobicContact CG2-CG 3.78Å; Q867-M871 WeakPolarHBondContact O-CB 3.21Å; Q867-M871 PolarHBondContact O-N 3.18Å; G868-M871 WeakPolarHBondContact O-CA 3.22Å; G868-M871 WeakPolarHBondContact O-CB 3.49Å; G868-M871 PolarHBondContact O-N 2.88Å; G868-M871 VanDerWaalsContact O-N 3.12Å; I869-M871 PolarHBondContact O-N 3.21Å; M871-K875 HydrophobicContact CG-CD 4Å; M871-K875 WeakPolarHBondContact O-CB 3.29Å; M871-K875 WeakPolarHBondContact O-CD 3.4Å; M871-K875 VanDerWaalsContact O-CG 3.27Å; M871-K875 WeakPolarHBondContact O-CG 3.5Å; M871-K875 PolarHBondContact O-N 3.49Å; M871-K875 VanDerWaalsContact O-N 3.08Å; M871-K875 PolarHBondContact SD-NZ 2.98Å
872	A	87.1	Confident	83.4	Confident	3 Å²	3	43.6 Å²	43.6	3%	0.025	22%	0.223	C	C	.	.	H	α-helix	trans	-69.6	-36.7	177.4	0	0	0	0	0	112.3	G868 I869 I870 S876 A892 L895 E896 F941	G868-A872 PolarHBondContact O-N 3.25Å; I869-A872 WeakPolarHBondContact O-CB 3.05Å; I869-A872 PolarHBondContact O-N 3.07Å; I869-A872 VanDerWaalsContact O-N 3.12Å; I870-A872 VanDerWaalsContact C-N 3.3Å; I870-A872 PolarHBondContact O-N 2.99Å; A872-S876 PolarHBondContact O-N 3.34Å; A872-A892 HydrophobicContact CB-CB 4.39Å; A872-A892 WeakPolarHBondContact CB-O 3.43Å; A872-L895 HydrophobicContact CB-CB 4.15Å; A872-E896 HydrophobicContact CB-CB 4Å; A872-F941 HydrophobicContact CB-CZ 4.49Å
873	I	87.7	Confident	84.2	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-50.2	172.6	-69.2	170.5	0	0	0	110.9	I869 I870 K875 S876 A892 F941 L946 R951 C952 I955	I869-I873 HydrophobicContact CG2-CD1 4.04Å; I869-I873 WeakPolarHBondContact O-CG1 3.38Å; I869-I873 PolarHBondContact O-N 3.27Å; I870-I873 PolarHBondContact O-N 2.82Å; I873-K875 VanDerWaalsContact C-N 3.27Å; I873-K875 PolarHBondContact O-N 3.42Å; I873-S876 WeakPolarHBondContact O-CA 3.25Å; I873-S876 WeakPolarHBondContact O-CB 3.42Å; I873-S876 PolarHBondContact O-N 3.27Å; I873-S876 PolarHBondContact O-OG 3.43Å; I873-A892 HydrophobicContact CG1-CB 4.11Å; I873-F941 HydrophobicContact CD1-CD1 4.34Å; I873-F941 HydrophobicContact CD1-CE1 4.13Å; I873-F941 HydrophobicContact CG1-CD1 4.5Å; I873-F941 HydrophobicContact CG1-CE1 3.86Å; I873-L946 HydrophobicContact CD1-CD2 4.23Å; I873-R951 HydrophobicContact CG2-CG 4.32Å; I873-C952 HydrophobicContact CD1-CB 4.47Å; I873-I955 HydrophobicContact CD1-CG2 4.07Å; I873-I955 HydrophobicContact CG1-CD1 4.3Å; I873-I955 HydrophobicContact CG1-CG2 4.15Å; I873-I955 HydrophobicContact CG2-CD1 3.72Å
874	G	83.4	Confident	84.6	Confident	22 Å²	22	44.3 Å²	44.3	23%	0.227	23%	0.233	C	C	.	.	H	α-helix	trans	-55.7	-42	177.2	0	0	0	0	0	112.1	I870 S876 S877	I870-G874 PolarHBondContact O-N 2.91Å; G874-S876 PolarHBondContact O-N 3.17Å; G874-S876 VanDerWaalsContact O-N 3.16Å; G874-S877 WeakPolarHBondContact O-CB 3.33Å; G874-S877 PolarHBondContact O-N 2.91Å; G874-S877 PolarHBondContact O-OG 3.35Å
875	K	83.4	Confident	85	Confident	129 Å²	129	45.4 Å²	45.4	56%	0.561	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-3.5	174.5	-72.1	169.8	177.6	169.1	0	114.8	M871 I873 L895	M871-K875 HydrophobicContact CG-CD 4Å; M871-K875 WeakPolarHBondContact O-CB 3.29Å; M871-K875 WeakPolarHBondContact O-CD 3.4Å; M871-K875 VanDerWaalsContact O-CG 3.27Å; M871-K875 WeakPolarHBondContact O-CG 3.5Å; M871-K875 PolarHBondContact O-N 3.49Å; M871-K875 VanDerWaalsContact O-N 3.08Å; M871-K875 PolarHBondContact SD-NZ 2.98Å; I873-K875 VanDerWaalsContact C-N 3.27Å; I873-K875 PolarHBondContact O-N 3.42Å; K875-L895 HydrophobicContact CB-CD1 3.72Å
876	S	87.8	Confident	85.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-5.4	173.4	78.9	0	0	0	0	114.5	A872 I873 G874 S878 I879 Y880	A872-S876 PolarHBondContact O-N 3.34Å; I873-S876 WeakPolarHBondContact O-CA 3.25Å; I873-S876 WeakPolarHBondContact O-CB 3.42Å; I873-S876 PolarHBondContact O-N 3.27Å; I873-S876 PolarHBondContact O-OG 3.43Å; G874-S876 PolarHBondContact O-N 3.17Å; G874-S876 VanDerWaalsContact O-N 3.16Å; S876-S878 VanDerWaalsContact C-N 3.34Å; S876-S878 PolarHBondContact O-N 2.9Å; S876-I879 WeakPolarHBondContact O-CA 3.37Å; S876-I879 WeakPolarHBondContact O-CB 3.39Å; S876-I879 PolarHBondContact O-N 3.33Å; S876-Y880 PolarHBondContact O-N 3.1Å
877	S	83.1	Confident	85.2	Confident	22 Å²	22	50 Å²	50	15%	0.154	27%	0.267	C	S	.	.	H	α-helix	trans	-51.6	-43.6	-172.3	-55.3	0	0	0	0	114.6	G874 I879 Y880 E881 R951	G874-S877 WeakPolarHBondContact O-CB 3.33Å; G874-S877 PolarHBondContact O-N 2.91Å; G874-S877 PolarHBondContact O-OG 3.35Å; S877-I879 PolarHBondContact O-N 3.34Å; S877-Y880 VanDerWaalsContact O-CB 3.29Å; S877-Y880 WeakPolarHBondContact O-CB 3.3Å; S877-Y880 PolarHBondContact O-N 2.95Å; S877-E881 PolarHBondContact O-N 3.19Å; S877-R951 PolarHBondContact OG-NE 2.88Å
878	S	81.5	Confident	85.4	Confident	68 Å²	68	48 Å²	48	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-70.9	-10.1	179.7	62.6	0	0	0	0	114.7	S876 K882	S876-S878 VanDerWaalsContact C-N 3.34Å; S876-S878 PolarHBondContact O-N 2.9Å; S878-K882 VanDerWaalsContact O-CD 3.31Å; S878-K882 WeakPolarHBondContact O-CD 3.43Å; S878-K882 WeakPolarHBondContact O-CG 3.41Å
879	I	84.1	Confident	85.7	Confident	51 Å²	51	47.9 Å²	47.9	26%	0.262	26%	0.255	S	S	.	.	H	α-helix	trans	-94.3	-37	168	-59.4	-172.8	0	0	0	110.1	S876 S877 E881 K882 N883 A887 K891	S876-I879 WeakPolarHBondContact O-CA 3.37Å; S876-I879 WeakPolarHBondContact O-CB 3.39Å; S876-I879 PolarHBondContact O-N 3.33Å; S877-I879 PolarHBondContact O-N 3.34Å; I879-E881 VanDerWaalsContact C-N 3.33Å; I879-E881 PolarHBondContact O-N 3.47Å; I879-K882 PolarHBondContact O-N 3.43Å; I879-N883 HydrophobicContact CG2-CB 4.01Å; I879-N883 WeakPolarHBondContact O-CA 3.28Å; I879-N883 WeakPolarHBondContact O-CB 3.42Å; I879-N883 PolarHBondContact O-N 2.64Å; I879-A887 HydrophobicContact CG2-CB 3.84Å; I879-K891 HydrophobicContact CD1-CB 4Å; I879-K891 HydrophobicContact CD1-CD 4.04Å; I879-K891 HydrophobicContact CD1-CG 3.8Å
880	Y	86.6	Confident	85.6	Confident	54 Å²	54	51.9 Å²	51.9	21%	0.212	27%	0.273	C	S	.	.	H	α-helix	trans	-54.2	-49.4	173.5	-173	-90.1	0	0	0	111.7	S876 S877 K882 G884 P885 A888 E950 R951 S954 I955	S876-Y880 PolarHBondContact O-N 3.1Å; S877-Y880 VanDerWaalsContact O-CB 3.29Å; S877-Y880 WeakPolarHBondContact O-CB 3.3Å; S877-Y880 PolarHBondContact O-N 2.95Å; Y880-K882 VanDerWaalsContact C-N 3.26Å; Y880-K882 PolarHBondContact O-N 2.86Å; Y880-G884 VanDerWaalsContact O-CA 3.3Å; Y880-G884 WeakPolarHBondContact O-CA 3.46Å; Y880-G884 PolarHBondContact O-N 3.36Å; Y880-P885 HydrophobicContact CD2-CB 4.29Å; Y880-P885 HydrophobicContact CE2-CB 3.77Å; Y880-A888 HydrophobicContact CD2-CB 3.76Å; Y880-A888 HydrophobicContact CG-CB 4.22Å; Y880-E950 PolarHBondContact OH-O 3.1Å; Y880-R951 HydrophobicContact CD1-CG 4.03Å; Y880-R951 HydrophobicContact CD2-CG 3.62Å; Y880-R951 HydrophobicContact CE1-CB 4.2Å; Y880-R951 HydrophobicContact CE1-CG 4.15Å; Y880-R951 HydrophobicContact CE2-CB 4.17Å; Y880-R951 HydrophobicContact CE2-CG 3.73Å; Y880-R951 HydrophobicContact CG-CG 3.78Å; Y880-S954 WeakPolarHBondContact OH-CB 3.45Å; Y880-S954 PolarHBondContact OH-OG 2.88Å; Y880-I955 HydrophobicContact CD2-CD1 4.16Å; Y880-I955 HydrophobicContact CD2-CG1 4.34Å; Y880-I955 HydrophobicContact CE2-CG1 4.36Å
881	E	85.7	Confident	85.6	Confident	132 Å²	132	56 Å²	56	62%	0.617	29%	0.291	S	S	*	.	H	α-helix	trans	-66.6	-21.5	-179.3	-70.1	153	-152.5	0	0	114.2	S877 I879 R951	S877-E881 PolarHBondContact O-N 3.19Å; I879-E881 VanDerWaalsContact C-N 3.33Å; I879-E881 PolarHBondContact O-N 3.47Å; E881-R951 IonicContact OE1-NH2 3.76Å
882	K	84.6	Confident	85.8	Confident	164 Å²	164	54.2 Å²	54.2	71%	0.713	28%	0.282	S	S	*	.	H	α-helix	trans	-108.9	-28.8	-174.4	-65.3	-178.7	-172.4	173.7	0	114.3	S878 I879 Y880	S878-K882 VanDerWaalsContact O-CD 3.31Å; S878-K882 WeakPolarHBondContact O-CD 3.43Å; S878-K882 WeakPolarHBondContact O-CG 3.41Å; I879-K882 PolarHBondContact O-N 3.43Å; Y880-K882 VanDerWaalsContact C-N 3.26Å; Y880-K882 PolarHBondContact O-N 2.86Å
883	N	84.2	Confident	85.9	Confident	116 Å²	116	55.1 Å²	55.1	62%	0.62	29%	0.286	S	S	*	.	H	α-helix	trans	-134.1	0	-168.6	-66.3	82.4	0	0	0	113	I879 A887	I879-N883 HydrophobicContact CG2-CB 4.01Å; I879-N883 WeakPolarHBondContact O-CA 3.28Å; I879-N883 WeakPolarHBondContact O-CB 3.42Å; I879-N883 PolarHBondContact O-N 2.64Å; N883-A887 HydrophobicContact CB-CB 3.47Å; N883-A887 VanDerWaalsContact CB-CB 3.47Å
884	G	84.8	Confident	85.8	Confident	22 Å²	22	61.8 Å²	61.8	23%	0.227	32%	0.315	C	S	.	.	H	α-helix	trans	82.2	177.9	174.9	0	0	0	0	0	115.5	Y880 E886 A887 A888	Y880-G884 VanDerWaalsContact O-CA 3.3Å; Y880-G884 WeakPolarHBondContact O-CA 3.46Å; Y880-G884 PolarHBondContact O-N 3.36Å; G884-E886 PolarHBondContact O-N 2.82Å; G884-A887 PolarHBondContact O-N 3Å; G884-A888 PolarHBondContact O-N 3.11Å; G884-A888 VanDerWaalsContact O-N 3.16Å
885	P	88.1	Confident	86.1	Confident	52 Å²	52	63.4 Å²	63.4	34%	0.338	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-36.4	-169.1	23.7	-34.4	0	0	0	113.7	Y880 A888 F889 V958	Y880-P885 HydrophobicContact CD2-CB 4.29Å; Y880-P885 HydrophobicContact CE2-CB 3.77Å; P885-A888 PolarHBondContact O-N 3.44Å; P885-F889 WeakPolarHBondContact O-CB 3.36Å; P885-F889 PolarHBondContact O-N 3.22Å; P885-V958 HydrophobicContact CB-CG2 4.12Å; P885-V958 HydrophobicContact CG-CG2 4.5Å
886	E	86.7	Confident	86.5	Confident	92 Å²	92	57.3 Å²	57.3	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-67.4	-41.1	-179.5	-177.3	171.4	-156.7	0	0	112.3	G884 A888 F889 F890 V958 K962	G884-E886 PolarHBondContact O-N 2.82Å; E886-A888 VanDerWaalsContact C-N 3.35Å; E886-F889 PolarHBondContact O-N 2.66Å; E886-F890 HydrophobicContact CG-CD2 3.8Å; E886-F890 HydrophobicContact CG-CE2 3.63Å; E886-F890 WeakPolarHBondContact O-CD2 3.23Å; E886-F890 PolarHBondContact O-N 2.95Å; E886-V958 HydrophobicContact CB-CG1 4.41Å; E886-V958 HydrophobicContact CB-CG2 4.45Å; E886-V958 HydrophobicContact CG-CG1 4.35Å; E886-K962 VanDerWaalsContact OE1-CE 3.29Å; E886-K962 WeakPolarHBondContact OE1-CE 3.19Å; E886-K962 IonicContact OE1-NZ 2.69Å; E886-K962 PolarHBondContact OE1-NZ 2.94Å
887	A	82.9	Confident	86.6	Confident	35 Å²	35	61.4 Å²	61.4	29%	0.289	31%	0.308	S	S	.	.	H	α-helix	trans	-67.9	-36.2	176	0	0	0	0	0	112.1	I879 N883 G884 K891	I879-A887 HydrophobicContact CG2-CB 3.84Å; N883-A887 HydrophobicContact CB-CB 3.47Å; N883-A887 VanDerWaalsContact CB-CB 3.47Å; G884-A887 PolarHBondContact O-N 3Å; A887-K891 PolarHBondContact O-N 3Å
888	A	87.1	Confident	86.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-48.1	174.1	0	0	0	0	0	112	Y880 G884 P885 E886 F890 K891 A892 I955	Y880-A888 HydrophobicContact CD2-CB 3.76Å; Y880-A888 HydrophobicContact CG-CB 4.22Å; G884-A888 PolarHBondContact O-N 3.11Å; G884-A888 VanDerWaalsContact O-N 3.16Å; P885-A888 PolarHBondContact O-N 3.44Å; E886-A888 VanDerWaalsContact C-N 3.35Å; A888-F890 PolarHBondContact O-N 3.45Å; A888-K891 CarbonylContact O-C 3.59Å; A888-K891 WeakPolarHBondContact O-CA 3.2Å; A888-K891 WeakPolarHBondContact O-CB 3.12Å; A888-K891 PolarHBondContact O-N 2.95Å; A888-A892 PolarHBondContact O-N 2.94Å; A888-I955 HydrophobicContact CB-CD1 3.93Å; A888-I955 HydrophobicContact CB-CG1 4.37Å
889	F	92	Very high	87.4	Confident	2 Å²	2	61 Å²	61	1%	0.009	30%	0.303	C	S	.	.	H	α-helix	trans	-52.4	-51.1	173.2	165.6	-101.4	0	0	0	111.3	P885 E886 K891 A892 I893 L938 F941 I955 V958 A959 K962	P885-F889 WeakPolarHBondContact O-CB 3.36Å; P885-F889 PolarHBondContact O-N 3.22Å; E886-F889 PolarHBondContact O-N 2.66Å; F889-K891 PolarHBondContact O-N 3.44Å; F889-A892 PolarHBondContact O-N 3.41Å; F889-A892 VanDerWaalsContact O-N 3.13Å; F889-I893 HydrophobicContact CE1-CG2 4.48Å; F889-I893 HydrophobicContact CE2-CB 4.26Å; F889-I893 HydrophobicContact CE2-CD1 3.98Å; F889-I893 HydrophobicContact CZ-CB 4.35Å; F889-I893 HydrophobicContact CZ-CD1 3.66Å; F889-I893 HydrophobicContact CZ-CG2 4.32Å; F889-I893 WeakPolarHBondContact O-CG2 3.31Å; F889-I893 PolarHBondContact O-N 3.14Å; F889-L938 HydrophobicContact CE2-CD2 4.29Å; F889-L938 HydrophobicContact CZ-CD2 3.61Å; F889-F941 HydrophobicContact CD2-CD1 4.27Å; F889-F941 HydrophobicContact CE2-CB 4.13Å; F889-F941 HydrophobicContact CE2-CD1 4.32Å; F889-F941 HydrophobicContact CE2-CG 4.24Å; F889-I955 HydrophobicContact CB-CG1 4.44Å; F889-I955 HydrophobicContact CB-CG2 4.06Å; F889-I955 HydrophobicContact CD2-CG2 3.99Å; F889-V958 HydrophobicContact CB-CB 4.34Å; F889-V958 HydrophobicContact CB-CG1 3.96Å; F889-V958 HydrophobicContact CD1-CG1 3.62Å; F889-V958 HydrophobicContact CE1-CG1 4.33Å; F889-V958 HydrophobicContact CG-CB 4.37Å; F889-V958 HydrophobicContact CG-CG1 3.76Å; F889-A959 HydrophobicContact CD2-CB 4.24Å; F889-A959 HydrophobicContact CE2-CB 3.79Å; F889-K962 HydrophobicContact CE1-CG 4.13Å
890	F	86.1	Confident	87.8	Confident	85 Å²	85	58.6 Å²	58.6	37%	0.373	29%	0.29	S	S	.	.	H	α-helix	trans	-65.3	-17.7	178.2	-80	-55.9	0	0	0	114.4	E886 A888 K894	E886-F890 HydrophobicContact CG-CD2 3.8Å; E886-F890 HydrophobicContact CG-CE2 3.63Å; E886-F890 WeakPolarHBondContact O-CD2 3.23Å; E886-F890 PolarHBondContact O-N 2.95Å; A888-F890 PolarHBondContact O-N 3.45Å; F890-K894 WeakPolarHBondContact O-CD 3.36Å; F890-K894 VanDerWaalsContact O-CG 3.28Å; F890-K894 WeakPolarHBondContact O-CG 3.38Å
891	K	86.1	Confident	88	Confident	88 Å²	88	58.3 Å²	58.3	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-83.2	-47.8	168.2	-179.6	67.1	173.8	-180	0	111.2	I879 A887 A888 F889 K894 L895	I879-K891 HydrophobicContact CD1-CB 4Å; I879-K891 HydrophobicContact CD1-CD 4.04Å; I879-K891 HydrophobicContact CD1-CG 3.8Å; A887-K891 PolarHBondContact O-N 3Å; A888-K891 CarbonylContact O-C 3.59Å; A888-K891 WeakPolarHBondContact O-CA 3.2Å; A888-K891 WeakPolarHBondContact O-CB 3.12Å; A888-K891 PolarHBondContact O-N 2.95Å; F889-K891 PolarHBondContact O-N 3.44Å; K891-K894 PolarHBondContact O-N 3.49Å; K891-L895 HydrophobicContact CD-CD1 4.4Å; K891-L895 HydrophobicContact CD-CG 4.37Å; K891-L895 HydrophobicContact CG-CD1 4.04Å; K891-L895 HydrophobicContact CG-CG 4.4Å; K891-L895 WeakPolarHBondContact O-CG 3.28Å; K891-L895 PolarHBondContact O-N 2.91Å
892	A	89.7	Confident	88.2	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-51	-178.1	0	0	0	0	0	111.4	A872 I873 A888 F889 K894 L895 E896 F941	A872-A892 HydrophobicContact CB-CB 4.39Å; A872-A892 WeakPolarHBondContact CB-O 3.43Å; I873-A892 HydrophobicContact CG1-CB 4.11Å; A888-A892 PolarHBondContact O-N 2.94Å; F889-A892 PolarHBondContact O-N 3.41Å; F889-A892 VanDerWaalsContact O-N 3.13Å; A892-K894 PolarHBondContact O-N 2.99Å; A892-L895 WeakPolarHBondContact O-CB 3.41Å; A892-L895 PolarHBondContact O-N 2.88Å; A892-E896 PolarHBondContact O-N 3.43Å; A892-F941 HydrophobicContact CB-CE1 3.73Å; A892-F941 HydrophobicContact CB-CZ 4.02Å
893	I	89	Confident	88.5	Confident	23 Å²	23	52.9 Å²	52.9	12%	0.118	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-32.1	180	-162.1	167.2	0	0	0	112.8	F889 Y897 L937 L938 F941	F889-I893 HydrophobicContact CE1-CG2 4.48Å; F889-I893 HydrophobicContact CE2-CB 4.26Å; F889-I893 HydrophobicContact CE2-CD1 3.98Å; F889-I893 HydrophobicContact CZ-CB 4.35Å; F889-I893 HydrophobicContact CZ-CD1 3.66Å; F889-I893 HydrophobicContact CZ-CG2 4.32Å; F889-I893 WeakPolarHBondContact O-CG2 3.31Å; F889-I893 PolarHBondContact O-N 3.14Å; I893-Y897 VanDerWaalsContact O-CB 3.31Å; I893-Y897 WeakPolarHBondContact O-CB 3.41Å; I893-Y897 PolarHBondContact O-N 2.81Å; I893-L937 HydrophobicContact CD1-CD2 4.06Å; I893-L937 HydrophobicContact CD1-CG 4.05Å; I893-L937 HydrophobicContact CG1-CD2 3.47Å; I893-L937 VanDerWaalsContact CG1-CD2 3.47Å; I893-L937 HydrophobicContact CG1-CG 3.76Å; I893-L938 HydrophobicContact CD1-CD2 4.28Å; I893-L938 HydrophobicContact CD1-CG 4.4Å; I893-F941 HydrophobicContact CB-CE2 4.13Å; I893-F941 HydrophobicContact CB-CZ 4.31Å; I893-F941 HydrophobicContact CD1-CD2 4.48Å; I893-F941 HydrophobicContact CG1-CD2 4.18Å; I893-F941 HydrophobicContact CG1-CE2 4.04Å
894	K	85.4	Confident	88.7	Confident	140 Å²	140	48 Å²	48	61%	0.609	24%	0.239	S	C	*	.	H	α-helix	trans	-75.1	-35.3	174.6	-69.7	178.8	-171.2	172.4	0	112.9	F890 K891 A892 A898	F890-K894 WeakPolarHBondContact O-CD 3.36Å; F890-K894 VanDerWaalsContact O-CG 3.28Å; F890-K894 WeakPolarHBondContact O-CG 3.38Å; K891-K894 PolarHBondContact O-N 3.49Å; A892-K894 PolarHBondContact O-N 2.99Å; K894-A898 WeakPolarHBondContact O-CB 3.43Å; K894-A898 PolarHBondContact O-N 3.11Å
895	L	88.6	Confident	88.9	Confident	56 Å²	56	53.6 Å²	53.6	29%	0.293	26%	0.259	S	S	.	.	H	α-helix	trans	-68.3	-39.4	173.4	-71.9	174.7	0	0	0	111.3	A872 K875 K891 A892 A898 R899	A872-L895 HydrophobicContact CB-CB 4.15Å; K875-L895 HydrophobicContact CB-CD1 3.72Å; K891-L895 HydrophobicContact CD-CD1 4.4Å; K891-L895 HydrophobicContact CD-CG 4.37Å; K891-L895 HydrophobicContact CG-CD1 4.04Å; K891-L895 HydrophobicContact CG-CG 4.4Å; K891-L895 WeakPolarHBondContact O-CG 3.28Å; K891-L895 PolarHBondContact O-N 2.91Å; A892-L895 WeakPolarHBondContact O-CB 3.41Å; A892-L895 PolarHBondContact O-N 2.88Å; L895-A898 PolarHBondContact O-N 3.09Å; L895-R899 PolarHBondContact O-N 2.77Å
896	E	91.8	Very high	88.8	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-64.8	-54.9	177.2	-171.6	57.1	-150.6	0	0	110.9	I869 A872 A892 A898 R899 L900 L937 F941	I869-E896 HydrophobicContact CG1-CG 4.27Å; I869-E896 PolarHBondContact N-OE2 2.98Å; A872-E896 HydrophobicContact CB-CB 4Å; A892-E896 PolarHBondContact O-N 3.43Å; E896-A898 PolarHBondContact O-N 3.35Å; E896-R899 PolarHBondContact O-N 3.33Å; E896-R899 IonicContact OE1-CZ 2.75Å; E896-R899 VanDerWaalsContact OE1-CZ 3.24Å; E896-R899 IonicContact OE1-NH1 2.74Å; E896-R899 PolarHBondContact OE1-NH1 2.79Å; E896-R899 IonicContact OE1-NH2 2.93Å; E896-R899 PolarHBondContact OE1-NH2 3.19Å; E896-R899 IonicContact OE2-CZ 3.63Å; E896-R899 IonicContact OE2-NH1 2.69Å; E896-R899 PolarHBondContact OE2-NH1 3.43Å; E896-R899 IonicContact OE2-NH2 3.79Å; E896-L900 HydrophobicContact CG-CD1 3.83Å; E896-L900 WeakPolarHBondContact O-CG 3.36Å; E896-L900 PolarHBondContact O-N 2.7Å; E896-L937 HydrophobicContact CG-CD1 3.84Å; E896-F941 HydrophobicContact CB-CE2 3.82Å; E896-F941 HydrophobicContact CB-CZ 3.97Å; E896-F941 HydrophobicContact CG-CE2 3.91Å; E896-F941 HydrophobicContact CG-CZ 4.37Å
897	Y	90.7	Very high	88.4	Confident	87 Å²	87	59.2 Å²	59.2	34%	0.341	29%	0.286	S	S	.	.	H	α-helix	trans	-55.7	-38.3	175.1	-174.6	-94.9	0	0	0	112.1	I893 R899 L900 L901 I924 L937	I893-Y897 VanDerWaalsContact O-CB 3.31Å; I893-Y897 WeakPolarHBondContact O-CB 3.41Å; I893-Y897 PolarHBondContact O-N 2.81Å; Y897-R899 VanDerWaalsContact C-N 3.33Å; Y897-R899 PolarHBondContact O-N 2.86Å; Y897-L900 PolarHBondContact O-N 2.89Å; Y897-L901 HydrophobicContact CE1-CB 4.46Å; Y897-L901 HydrophobicContact CE1-CD2 4.01Å; Y897-L901 WeakPolarHBondContact O-CB 3.35Å; Y897-L901 PolarHBondContact O-N 2.82Å; Y897-I924 HydrophobicContact CE2-CD1 4.35Å; Y897-L937 HydrophobicContact CD2-CD2 4.24Å
898	A	88.7	Confident	88.3	Confident	48 Å²	48	60.1 Å²	60.1	40%	0.397	29%	0.288	S	S	.	.	H	α-helix	trans	-77.5	-8.1	176.7	0	0	0	0	0	115.1	K894 L895 E896 R902	K894-A898 WeakPolarHBondContact O-CB 3.43Å; K894-A898 PolarHBondContact O-N 3.11Å; L895-A898 PolarHBondContact O-N 3.09Å; E896-A898 PolarHBondContact O-N 3.35Å; A898-R902 PolarHBondContact O-NE 2.9Å
899	R	93.2	Very high	87.9	Confident	33 Å²	33	63.5 Å²	63.5	13%	0.125	31%	0.31	C	S	.	.	H	α-helix	trans	-87	-49.7	162.9	-166.6	-170.9	75.2	-96	-11.4	110	G868 L895 E896 Y897 L901 R902 F903 H918	G868-R899 VanDerWaalsContact CA-NH1 3.3Å; L895-R899 PolarHBondContact O-N 2.77Å; E896-R899 PolarHBondContact O-N 3.33Å; E896-R899 IonicContact OE1-CZ 2.75Å; E896-R899 VanDerWaalsContact OE1-CZ 3.24Å; E896-R899 IonicContact OE1-NH1 2.74Å; E896-R899 PolarHBondContact OE1-NH1 2.79Å; E896-R899 IonicContact OE1-NH2 2.93Å; E896-R899 PolarHBondContact OE1-NH2 3.19Å; E896-R899 IonicContact OE2-CZ 3.63Å; E896-R899 IonicContact OE2-NH1 2.69Å; E896-R899 PolarHBondContact OE2-NH1 3.43Å; E896-R899 IonicContact OE2-NH2 3.79Å; Y897-R899 VanDerWaalsContact C-N 3.33Å; Y897-R899 PolarHBondContact O-N 2.86Å; R899-L901 VanDerWaalsContact C-N 3.33Å; R899-L901 PolarHBondContact O-N 3.5Å; R899-R902 WeakPolarHBondContact O-CB 3.31Å; R899-R902 PolarHBondContact O-N 3.03Å; R899-F903 HydrophobicContact CG-CD2 4.36Å; R899-F903 HydrophobicContact CG-CE1 4.2Å; R899-F903 HydrophobicContact CG-CE2 3.94Å; R899-F903 HydrophobicContact CG-CZ 3.85Å; R899-F903 PolarHBondContact O-N 3.24Å; R899-H918 PolarHBondContact NH2-CE1 3.16Å; R899-H918 PolarHBondContact NH2-NE2 2.95Å
900	L	92.3	Very high	87.1	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-38.5	-177.8	-62.8	168.5	0	0	0	112.2	E896 Y897 R902 F903 A904 H918 I920 V921 L937	E896-L900 HydrophobicContact CG-CD1 3.83Å; E896-L900 WeakPolarHBondContact O-CG 3.36Å; E896-L900 PolarHBondContact O-N 2.7Å; Y897-L900 PolarHBondContact O-N 2.89Å; L900-R902 VanDerWaalsContact C-N 3.32Å; L900-R902 PolarHBondContact O-N 3.33Å; L900-F903 PolarHBondContact O-N 3.17Å; L900-A904 WeakPolarHBondContact O-CB 3.16Å; L900-A904 PolarHBondContact O-N 3.16Å; L900-H918 HydrophobicContact CD2-CB 3.85Å; L900-H918 VanDerWaalsContact CD2-CG 3.42Å; L900-I920 HydrophobicContact CB-CG2 4Å; L900-I920 HydrophobicContact CD1-CB 3.9Å; L900-I920 HydrophobicContact CD1-CG1 4.17Å; L900-I920 HydrophobicContact CD1-CG2 3.76Å; L900-I920 HydrophobicContact CG-CG2 4.43Å; L900-V921 HydrophobicContact CB-CG2 4.49Å; L900-V921 HydrophobicContact CD2-CG2 4.22Å; L900-L937 HydrophobicContact CD1-CD1 4.23Å
901	L	90.8	Very high	87	Confident	49 Å²	49	67.7 Å²	67.7	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-33.4	173.1	-178.4	62.4	0	0	0	112.8	Y897 R899 A904 Q905 I924	Y897-L901 HydrophobicContact CE1-CB 4.46Å; Y897-L901 HydrophobicContact CE1-CD2 4.01Å; Y897-L901 WeakPolarHBondContact O-CB 3.35Å; Y897-L901 PolarHBondContact O-N 2.82Å; R899-L901 VanDerWaalsContact C-N 3.33Å; R899-L901 PolarHBondContact O-N 3.5Å; L901-A904 PolarHBondContact O-N 2.9Å; L901-Q905 HydrophobicContact CD1-CG 4.47Å; L901-Q905 WeakPolarHBondContact O-CB 3.49Å; L901-Q905 WeakPolarHBondContact O-CG 3.17Å; L901-Q905 PolarHBondContact O-N 2.79Å; L901-Q905 PolarHBondContact O-OE1 3.25Å; L901-I924 HydrophobicContact CB-CD1 4.45Å; L901-I924 HydrophobicContact CD1-CD1 4.44Å; L901-I924 HydrophobicContact CD1-CG2 3.94Å
902	R	90.2	Very high	87	Confident	146 Å²	146	66.1 Å²	66.1	55%	0.551	34%	0.335	S	S	*	.	H	α-helix	trans	-72.6	-45.4	175.2	-73.7	-175.7	-62.6	118.2	1.1	111.2	A898 R899 L900 A904 Q905 E906	A898-R902 PolarHBondContact O-NE 2.9Å; R899-R902 WeakPolarHBondContact O-CB 3.31Å; R899-R902 PolarHBondContact O-N 3.03Å; L900-R902 VanDerWaalsContact C-N 3.32Å; L900-R902 PolarHBondContact O-N 3.33Å; R902-A904 PolarHBondContact O-N 2.84Å; R902-Q905 CarbonylContact O-C 3.47Å; R902-Q905 WeakPolarHBondContact O-CA 3.08Å; R902-Q905 PolarHBondContact O-N 3.29Å; R902-E906 VanDerWaalsContact O-CB 3.32Å; R902-E906 WeakPolarHBondContact O-CB 3.1Å; R902-E906 PolarHBondContact O-N 3.4Å
903	F	91	Very high	87	Confident	36 Å²	36	67 Å²	67	16%	0.158	34%	0.339	C	S	.	.	H	α-helix	trans	-57.6	-31.1	172.7	-68.6	-16.6	0	0	0	112.8	R899 L900 Q905 Y914 H918 V921	R899-F903 HydrophobicContact CG-CD2 4.36Å; R899-F903 HydrophobicContact CG-CE1 4.2Å; R899-F903 HydrophobicContact CG-CE2 3.94Å; R899-F903 HydrophobicContact CG-CZ 3.85Å; R899-F903 PolarHBondContact O-N 3.24Å; L900-F903 PolarHBondContact O-N 3.17Å; F903-Q905 VanDerWaalsContact C-N 3.3Å; F903-Y914 HydrophobicContact CB-CD1 4.47Å; F903-Y914 HydrophobicContact CB-CD2 3.65Å; F903-Y914 HydrophobicContact CB-CE2 4.07Å; F903-Y914 HydrophobicContact CB-CG 3.87Å; F903-Y914 HydrophobicContact CD1-CD2 4.18Å; F903-Y914 HydrophobicContact CD1-CE1 4.2Å; F903-Y914 AromaticContact CD1-CE2 3.71Å; F903-Y914 HydrophobicContact CD1-CE2 3.71Å; F903-Y914 AromaticContact CD1-CZ 3.74Å; F903-Y914 HydrophobicContact CD2-CD1 4.28Å; F903-Y914 HydrophobicContact CD2-CE1 4.43Å; F903-Y914 HydrophobicContact CD2-CG 4.48Å; F903-Y914 HydrophobicContact CE1-CE1 4.25Å; F903-Y914 HydrophobicContact CE1-CE2 4.35Å; F903-Y914 AromaticContact CE1-CZ 3.91Å; F903-Y914 HydrophobicContact CE2-CE1 4.45Å; F903-Y914 HydrophobicContact CG-CD1 4.26Å; F903-Y914 HydrophobicContact CG-CD2 4.02Å; F903-Y914 HydrophobicContact CG-CE1 4.3Å; F903-Y914 HydrophobicContact CG-CE2 4.03Å; F903-Y914 HydrophobicContact CG-CG 4.13Å; F903-Y914 HydrophobicContact CZ-CE1 4.36Å; F903-Y914 WeakPolarHBondContact O-CD2 3.47Å; F903-H918 AromaticContact CD2-CD2 3.71Å; F903-H918 AromaticContact CD2-NE2 3.78Å; F903-H918 AromaticContact CE2-CD2 4Å; F903-H918 AromaticContact CE2-NE2 3.59Å; F903-V921 HydrophobicContact CB-CG2 3.92Å
904	A	88.6	Confident	87	Confident	14 Å²	14	67.8 Å²	67.8	12%	0.116	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-14.1	173.6	0	0	0	0	0	114.6	L900 L901 R902 V921 I924 Q925	L900-A904 WeakPolarHBondContact O-CB 3.16Å; L900-A904 PolarHBondContact O-N 3.16Å; L901-A904 PolarHBondContact O-N 2.9Å; R902-A904 PolarHBondContact O-N 2.84Å; A904-V921 HydrophobicContact CB-CG1 4.1Å; A904-I924 HydrophobicContact CB-CB 3.86Å; A904-I924 HydrophobicContact CB-CD1 4.47Å; A904-I924 HydrophobicContact CB-CG2 3.47Å; A904-I924 VanDerWaalsContact CB-CG2 3.47Å; A904-Q925 HydrophobicContact CB-CG 3.91Å; A904-Q925 PolarHBondContact O-NE2 2.57Å; A904-Q925 VanDerWaalsContact O-NE2 3.1Å
905	Q	87.8	Confident	87.4	Confident	138 Å²	138	62.4 Å²	62.4	65%	0.645	32%	0.317	S	S	*	.	S	Bend	trans	-118.1	5.2	-174.9	-70.1	176.9	-21.5	0	0	113.1	L901 R902 F903	L901-Q905 HydrophobicContact CD1-CG 4.47Å; L901-Q905 WeakPolarHBondContact O-CB 3.49Å; L901-Q905 WeakPolarHBondContact O-CG 3.17Å; L901-Q905 PolarHBondContact O-N 2.79Å; L901-Q905 PolarHBondContact O-OE1 3.25Å; R902-Q905 CarbonylContact O-C 3.47Å; R902-Q905 WeakPolarHBondContact O-CA 3.08Å; R902-Q905 PolarHBondContact O-N 3.29Å; F903-Q905 VanDerWaalsContact C-N 3.3Å
906	E	86.9	Confident	87.5	Confident	91 Å²	91	59.8 Å²	59.8	43%	0.425	30%	0.303	S	S	.	.	S	Bend	trans	-96.6	123.7	-175.2	-176	157.5	-148	0	0	109	R902 T908	R902-E906 VanDerWaalsContact O-CB 3.32Å; R902-E906 WeakPolarHBondContact O-CB 3.1Å; R902-E906 PolarHBondContact O-N 3.4Å; E906-T908 VanDerWaalsContact C-N 3.31Å; E906-T908 HydrophobicContact CG-CG2 4.45Å; E906-T908 PolarHBondContact O-N 2.86Å
907	D	78.5	Confident	87.2	Confident	171 Å²	171	61.4 Å²	61.4	91%	0.914	31%	0.311	S	S	*	.			trans	-68.8	88.3	175.6	-71.7	-41.2	0	0	0	109.2
908	T	78.9	Confident	87.2	Confident	54 Å²	54	57.4 Å²	57.4	33%	0.331	30%	0.295	S	S	.	.			trans	-79.4	149.4	-177.6	46.1	0	0	0	0	112.6	E906 L912 Y914	E906-T908 VanDerWaalsContact C-N 3.31Å; E906-T908 HydrophobicContact CG-CG2 4.45Å; E906-T908 PolarHBondContact O-N 2.86Å; T908-L912 VanDerWaalsContact CB-O 3.27Å; T908-L912 WeakPolarHBondContact CB-O 3.42Å; T908-L912 HydrophobicContact CG2-CD2 4.31Å; T908-L912 HydrophobicContact CG2-CG 4.38Å; T908-L912 PolarHBondContact OG1-O 3.35Å; T908-Y914 HydrophobicContact CG2-CD2 3.54Å; T908-Y914 HydrophobicContact CG2-CE2 3.38Å
909	P	79.8	Confident	87.3	Confident	71 Å²	71	55.8 Å²	55.8	46%	0.461	28%	0.28	S	S	.	.			trans	-65.3	151.9	169.3	31.6	-36.4	0	0	0	110.3	E911 L912	P909-E911 PolarHBondContact O-N 2.74Å; P909-L912 HydrophobicContact CG-CB 4.13Å; P909-L912 PolarHBondContact O-N 3.03Å
910	P	75.9	Confident	87.3	Confident	97 Å²	97	54.2 Å²	54.2	63%	0.63	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.8	-174.6	-28.1	36.2	0	0	0	114.9	L912 V1155	P910-L912 PolarHBondContact O-N 3.5Å; P910-V1155 HydrophobicContact CB-CG1 3.82Å; P910-V1155 WeakPolarHBondContact O-CG1 3.46Å
911	E	83.6	Confident	87.4	Confident	78 Å²	78	54.2 Å²	54.2	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.7	176.9	-62	84.4	170.1	0	0	114.5	P909 G1152 A1156	P909-E911 PolarHBondContact O-N 2.74Å; E911-G1152 WeakPolarHBondContact O-CA 3.33Å; E911-A1156 HydrophobicContact CG-CB 3.61Å
912	L	86.3	Confident	87.5	Confident	56 Å²	56	51.9 Å²	51.9	29%	0.293	26%	0.262	S	S	.	.			trans	-125	98.5	-170.9	-178.7	60.4	0	0	0	112.1	T908 P909 P910 Y914	T908-L912 VanDerWaalsContact CB-O 3.27Å; T908-L912 WeakPolarHBondContact CB-O 3.42Å; T908-L912 HydrophobicContact CG2-CD2 4.31Å; T908-L912 HydrophobicContact CG2-CG 4.38Å; T908-L912 PolarHBondContact OG1-O 3.35Å; P909-L912 HydrophobicContact CG-CB 4.13Å; P909-L912 PolarHBondContact O-N 3.03Å; P910-L912 PolarHBondContact O-N 3.5Å; L912-Y914 HydrophobicContact CD1-CE1 4.24Å; L912-Y914 HydrophobicContact CD2-CE1 4.13Å; L912-Y914 HydrophobicContact CD2-CE2 4.48Å; L912-Y914 HydrophobicContact CG-CE1 4.27Å
913	D	89.4	Confident	87.7	Confident	17 Å²	17	45 Å²	45	9%	0.091	24%	0.236	C	C	.	.			trans	-101.8	106.3	174.4	-170.8	-12.4	0	0	0	111.7	R915 L916 H917 H1031 F1151	D913-R915 PolarHBondContact O-N 3.46Å; D913-R915 WeakPolarHBondContact OD1-CA 3.16Å; D913-R915 WeakPolarHBondContact OD1-CB 3.44Å; D913-R915 WeakPolarHBondContact OD1-CG 3.45Å; D913-R915 PolarHBondContact OD1-N 3.49Å; D913-R915 IonicContact OD1-NE 2.7Å; D913-R915 PolarHBondContact OD1-NE 2.89Å; D913-R915 IonicContact OD2-CZ 3.26Å; D913-R915 VanDerWaalsContact OD2-CZ 3.22Å; D913-R915 IonicContact OD2-NE 2.67Å; D913-R915 PolarHBondContact OD2-NE 3.37Å; D913-R915 IonicContact OD2-NH2 2.7Å; D913-R915 PolarHBondContact OD2-NH2 2.81Å; D913-L916 HydrophobicContact CB-CD1 4.08Å; D913-L916 HydrophobicContact CB-CG 4.18Å; D913-L916 PolarHBondContact O-N 3.08Å; D913-H917 PolarHBondContact O-ND1 2.88Å; D913-H1031 IonicContact OD2-CE1 3.72Å; D913-F1151 HydrophobicContact CB-CD1 4.32Å; D913-F1151 HydrophobicContact CB-CE1 3.64Å; D913-F1151 HydrophobicContact CB-CZ 3.89Å
914	Y	89.8	Confident	87.8	Confident	41 Å²	41	44.6 Å²	44.6	16%	0.161	24%	0.236	C	C	.	.	H	α-helix	trans	-67.4	-16.6	176.5	-73.1	-48.8	0	0	0	114	F903 T908 L912 L916 H917 H918	F903-Y914 HydrophobicContact CB-CD1 4.47Å; F903-Y914 HydrophobicContact CB-CD2 3.65Å; F903-Y914 HydrophobicContact CB-CE2 4.07Å; F903-Y914 HydrophobicContact CB-CG 3.87Å; F903-Y914 HydrophobicContact CD1-CD2 4.18Å; F903-Y914 HydrophobicContact CD1-CE1 4.2Å; F903-Y914 AromaticContact CD1-CE2 3.71Å; F903-Y914 HydrophobicContact CD1-CE2 3.71Å; F903-Y914 AromaticContact CD1-CZ 3.74Å; F903-Y914 HydrophobicContact CD2-CD1 4.28Å; F903-Y914 HydrophobicContact CD2-CE1 4.43Å; F903-Y914 HydrophobicContact CD2-CG 4.48Å; F903-Y914 HydrophobicContact CE1-CE1 4.25Å; F903-Y914 HydrophobicContact CE1-CE2 4.35Å; F903-Y914 AromaticContact CE1-CZ 3.91Å; F903-Y914 HydrophobicContact CE2-CE1 4.45Å; F903-Y914 HydrophobicContact CG-CD1 4.26Å; F903-Y914 HydrophobicContact CG-CD2 4.02Å; F903-Y914 HydrophobicContact CG-CE1 4.3Å; F903-Y914 HydrophobicContact CG-CE2 4.03Å; F903-Y914 HydrophobicContact CG-CG 4.13Å; F903-Y914 HydrophobicContact CZ-CE1 4.36Å; F903-Y914 WeakPolarHBondContact O-CD2 3.47Å; T908-Y914 HydrophobicContact CG2-CD2 3.54Å; T908-Y914 HydrophobicContact CG2-CE2 3.38Å; L912-Y914 HydrophobicContact CD1-CE1 4.24Å; L912-Y914 HydrophobicContact CD2-CE1 4.13Å; L912-Y914 HydrophobicContact CD2-CE2 4.48Å; L912-Y914 HydrophobicContact CG-CE1 4.27Å; Y914-L916 VanDerWaalsContact C-N 3.28Å; Y914-L916 PolarHBondContact O-N 3.41Å; Y914-H917 PolarHBondContact O-N 3Å; Y914-H918 PolarHBondContact O-N 3.41Å
915	R	92	Very high	88	Confident	26 Å²	26	46.5 Å²	46.5	10%	0.098	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-37.5	172.9	-56.8	175	-62.2	172.3	2	110.9	D913 H917 H918 V921 Y922 Q925 Y983 F986 Y1028 G1030	D913-R915 PolarHBondContact O-N 3.46Å; D913-R915 WeakPolarHBondContact OD1-CA 3.16Å; D913-R915 WeakPolarHBondContact OD1-CB 3.44Å; D913-R915 WeakPolarHBondContact OD1-CG 3.45Å; D913-R915 PolarHBondContact OD1-N 3.49Å; D913-R915 IonicContact OD1-NE 2.7Å; D913-R915 PolarHBondContact OD1-NE 2.89Å; D913-R915 IonicContact OD2-CZ 3.26Å; D913-R915 VanDerWaalsContact OD2-CZ 3.22Å; D913-R915 IonicContact OD2-NE 2.67Å; D913-R915 PolarHBondContact OD2-NE 3.37Å; D913-R915 IonicContact OD2-NH2 2.7Å; D913-R915 PolarHBondContact OD2-NH2 2.81Å; R915-H917 VanDerWaalsContact C-N 3.3Å; R915-H917 PolarHBondContact O-N 3.44Å; R915-H918 PolarHBondContact O-N 3.05Å; R915-V921 HydrophobicContact CG-CG1 4.32Å; R915-Y922 HydrophobicContact CB-CD2 4.26Å; R915-Y922 HydrophobicContact CG-CD2 4.44Å; R915-Q925 VanDerWaalsContact CD-OE1 3.26Å; R915-Y983 WeakPolarHBondContact O-CE2 3.45Å; R915-Y983 PolarHBondContact O-OH 2.87Å; R915-F986 HydrophobicContact CB-CE1 3.62Å; R915-F986 HydrophobicContact CB-CZ 3.88Å; R915-Y1028 PolarHBondContact NH1-O 3.07Å; R915-G1030 PolarHBondContact NH1-O 3.42Å; R915-G1030 PolarHBondContact NH2-O 2.87Å
916	L	90.6	Very high	88.2	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-68.1	-29.6	177.2	-61	175.8	0	0	0	112.8	D913 Y914 F986 T990 T1144 L1147 F1151	D913-L916 HydrophobicContact CB-CD1 4.08Å; D913-L916 HydrophobicContact CB-CG 4.18Å; D913-L916 PolarHBondContact O-N 3.08Å; Y914-L916 VanDerWaalsContact C-N 3.28Å; Y914-L916 PolarHBondContact O-N 3.41Å; L916-F986 HydrophobicContact CD2-CD1 4.39Å; L916-F986 HydrophobicContact CD2-CE1 3.59Å; L916-F986 HydrophobicContact CD2-CZ 3.93Å; L916-F986 HydrophobicContact CG-CE1 4.28Å; L916-F986 HydrophobicContact CG-CZ 4.44Å; L916-T990 HydrophobicContact CD1-CG2 3.98Å; L916-T990 HydrophobicContact CD2-CG2 3.78Å; L916-T990 WeakPolarHBondContact CD2-OG1 3.07Å; L916-T1144 WeakPolarHBondContact O-CG2 3.31Å; L916-L1147 HydrophobicContact CD2-CD2 4.26Å; L916-F1151 HydrophobicContact CD1-CB 3.87Å; L916-F1151 HydrophobicContact CD1-CD1 3.96Å; L916-F1151 HydrophobicContact CD1-CD2 3.75Å; L916-F1151 HydrophobicContact CD1-CE1 4.46Å; L916-F1151 HydrophobicContact CD1-CE2 4.25Å; L916-F1151 HydrophobicContact CD1-CG 3.58Å
917	H	87.2	Confident	88.4	Confident	35 Å²	35	45.2 Å²	45.2	16%	0.162	24%	0.237	C	C	.	.	H	α-helix	trans	-79.2	-36	179.3	-63.6	76.5	0	0	0	112	P864 N865 D913 Y914 R915 C1148	P864-H917 HydrophobicContact CB-CB 4.2Å; P864-H917 HydrophobicContact CG-CB 4.38Å; N865-H917 PolarHBondContact ND2-O 3.37Å; D913-H917 PolarHBondContact O-ND1 2.88Å; Y914-H917 PolarHBondContact O-N 3Å; R915-H917 VanDerWaalsContact C-N 3.3Å; R915-H917 PolarHBondContact O-N 3.44Å; H917-C1148 PolarHBondContact CE1-SG 3.13Å; H917-C1148 PolarHBondContact ND1-SG 3.13Å
918	H	89.3	Confident	89	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.019	20%	0.195	C	C	.	.			trans	-143.1	114.2	-166.7	-67.6	-62.3	0	0	0	113	P864 N865 R899 L900 F903 Y914 R915 I920 V921 Y922	P864-H918 VanDerWaalsContact C-CE1 3.46Å; P864-H918 PolarHBondContact O-CE1 3.33Å; P864-H918 VanDerWaalsContact O-CE1 3.28Å; N865-H918 PolarHBondContact OD1-ND1 2.95Å; R899-H918 PolarHBondContact NH2-CE1 3.16Å; R899-H918 PolarHBondContact NH2-NE2 2.95Å; L900-H918 HydrophobicContact CD2-CB 3.85Å; L900-H918 VanDerWaalsContact CD2-CG 3.42Å; F903-H918 AromaticContact CD2-CD2 3.71Å; F903-H918 AromaticContact CD2-NE2 3.78Å; F903-H918 AromaticContact CE2-CD2 4Å; F903-H918 AromaticContact CE2-NE2 3.59Å; Y914-H918 PolarHBondContact O-N 3.41Å; R915-H918 PolarHBondContact O-N 3.05Å; H918-I920 PolarHBondContact O-N 2.86Å; H918-V921 HydrophobicContact CB-CB 4.03Å; H918-V921 HydrophobicContact CB-CG2 3.66Å; H918-V921 WeakPolarHBondContact O-CB 3.38Å; H918-V921 PolarHBondContact O-N 3.05Å; H918-Y922 PolarHBondContact O-N 3.17Å
919	V	92.4	Very high	89.6	Confident	13 Å²	13	37 Å²	37	8%	0.079	19%	0.194	C	C	.	.	H	α-helix	trans	-55.2	-34.8	173.1	62.9	0	0	0	0	112.8	V921 Y922 F923 T936 Y983	V919-V921 VanDerWaalsContact C-N 3.32Å; V919-V921 PolarHBondContact O-N 2.96Å; V919-Y922 WeakPolarHBondContact O-CB 3.41Å; V919-Y922 PolarHBondContact O-N 3.36Å; V919-F923 HydrophobicContact CG2-CD1 4.26Å; V919-F923 HydrophobicContact CG2-CD2 4.26Å; V919-F923 HydrophobicContact CG2-CE1 3.77Å; V919-F923 HydrophobicContact CG2-CE2 3.79Å; V919-F923 HydrophobicContact CG2-CG 4.48Å; V919-F923 HydrophobicContact CG2-CZ 3.52Å; V919-F923 WeakPolarHBondContact O-CB 3.19Å; V919-F923 WeakPolarHBondContact O-CG 3.44Å; V919-F923 PolarHBondContact O-N 3.08Å; V919-T936 HydrophobicContact CG1-CG2 4.11Å; V919-Y983 HydrophobicContact CB-CD1 3.9Å; V919-Y983 HydrophobicContact CB-CD2 4.42Å; V919-Y983 HydrophobicContact CB-CE1 3.64Å; V919-Y983 HydrophobicContact CB-CE2 4.18Å; V919-Y983 HydrophobicContact CB-CG 4.27Å; V919-Y983 HydrophobicContact CG2-CD1 3.57Å; V919-Y983 HydrophobicContact CG2-CD2 4.14Å; V919-Y983 HydrophobicContact CG2-CE1 3.88Å; V919-Y983 HydrophobicContact CG2-CE2 4.41Å; V919-Y983 HydrophobicContact CG2-CG 3.7Å
920	I	93.2	Very high	89.8	Confident	1 Å²	1	42 Å²	42	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-32.9	176.2	-60.7	-63.4	0	0	0	111.9	L900 H918 F923 I924 L933 T936 L937	L900-I920 HydrophobicContact CB-CG2 4Å; L900-I920 HydrophobicContact CD1-CB 3.9Å; L900-I920 HydrophobicContact CD1-CG1 4.17Å; L900-I920 HydrophobicContact CD1-CG2 3.76Å; L900-I920 HydrophobicContact CG-CG2 4.43Å; H918-I920 PolarHBondContact O-N 2.86Å; I920-F923 PolarHBondContact O-N 3.41Å; I920-I924 HydrophobicContact CG2-CD1 3.78Å; I920-I924 HydrophobicContact CG2-CG1 4.3Å; I920-I924 WeakPolarHBondContact O-CB 3.37Å; I920-I924 WeakPolarHBondContact O-CG1 3.27Å; I920-I924 PolarHBondContact O-N 3.01Å; I920-L933 HydrophobicContact CD1-CD2 4.37Å; I920-L933 HydrophobicContact CG2-CD2 4.09Å; I920-T936 HydrophobicContact CD1-CG2 3.65Å; I920-L937 HydrophobicContact CD1-CB 4.36Å
921	V	93.3	Very high	90.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69.4	-45.6	175.6	172.8	0	0	0	0	110.1	L900 F903 A904 R915 H918 V919 F923 I924 Q925	L900-V921 HydrophobicContact CB-CG2 4.49Å; L900-V921 HydrophobicContact CD2-CG2 4.22Å; F903-V921 HydrophobicContact CB-CG2 3.92Å; A904-V921 HydrophobicContact CB-CG1 4.1Å; R915-V921 HydrophobicContact CG-CG1 4.32Å; H918-V921 HydrophobicContact CB-CB 4.03Å; H918-V921 HydrophobicContact CB-CG2 3.66Å; H918-V921 WeakPolarHBondContact O-CB 3.38Å; H918-V921 PolarHBondContact O-N 3.05Å; V919-V921 VanDerWaalsContact C-N 3.32Å; V919-V921 PolarHBondContact O-N 2.96Å; V921-F923 VanDerWaalsContact C-N 3.28Å; V921-F923 PolarHBondContact O-N 3.45Å; V921-I924 PolarHBondContact O-N 2.88Å; V921-Q925 HydrophobicContact CG1-CG 4.43Å; V921-Q925 PolarHBondContact O-N 2.93Å
922	Y	93.6	Very high	90.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.8	-41.9	172.2	179.2	-103.1	0	0	0	112.1	R915 H918 V919 N926 D982 Y983 F986 R1029	R915-Y922 HydrophobicContact CB-CD2 4.26Å; R915-Y922 HydrophobicContact CG-CD2 4.44Å; H918-Y922 PolarHBondContact O-N 3.17Å; V919-Y922 WeakPolarHBondContact O-CB 3.41Å; V919-Y922 PolarHBondContact O-N 3.36Å; Y922-N926 WeakPolarHBondContact O-CB 3.49Å; Y922-N926 PolarHBondContact O-N 3.11Å; Y922-N926 PolarHBondContact O-ND2 3.24Å; Y922-D982 PolarHBondContact OH-O 2.69Å; Y922-Y983 AromaticContact CD1-CD2 3.56Å; Y922-Y983 HydrophobicContact CD1-CD2 3.56Å; Y922-Y983 HydrophobicContact CD1-CG 4.14Å; Y922-Y983 HydrophobicContact CD2-CD2 4.33Å; Y922-Y983 HydrophobicContact CE1-CD2 4.15Å; Y922-Y983 AromaticContact CG-CD2 3.67Å; Y922-Y983 HydrophobicContact CG-CD2 3.67Å; Y922-Y983 HydrophobicContact CG-CE2 4.31Å; Y922-F986 AromaticContact CD2-CD1 3.86Å; Y922-F986 HydrophobicContact CD2-CD1 3.86Å; Y922-F986 HydrophobicContact CD2-CE1 4.17Å; Y922-F986 HydrophobicContact CD2-CG 4.12Å; Y922-F986 HydrophobicContact CE2-CB 3.83Å; Y922-F986 AromaticContact CE2-CD1 3.89Å; Y922-F986 HydrophobicContact CE2-CD1 3.89Å; Y922-F986 HydrophobicContact CE2-CD2 4.11Å; Y922-F986 AromaticContact CE2-CG 3.67Å; Y922-F986 HydrophobicContact CE2-CG 3.67Å; Y922-R1029 HydrophobicContact CE2-CB 4.42Å
923	F	94.7	Very high	90.7	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.2	-38.8	176	-72.3	-3.8	0	0	0	113.4	V919 I920 V921 E927 A928 I932 L933 T936 W979 H980	V919-F923 HydrophobicContact CG2-CD1 4.26Å; V919-F923 HydrophobicContact CG2-CD2 4.26Å; V919-F923 HydrophobicContact CG2-CE1 3.77Å; V919-F923 HydrophobicContact CG2-CE2 3.79Å; V919-F923 HydrophobicContact CG2-CG 4.48Å; V919-F923 HydrophobicContact CG2-CZ 3.52Å; V919-F923 WeakPolarHBondContact O-CB 3.19Å; V919-F923 WeakPolarHBondContact O-CG 3.44Å; V919-F923 PolarHBondContact O-N 3.08Å; I920-F923 PolarHBondContact O-N 3.41Å; V921-F923 VanDerWaalsContact C-N 3.28Å; V921-F923 PolarHBondContact O-N 3.45Å; F923-E927 PolarHBondContact O-N 3.33Å; F923-A928 HydrophobicContact CB-CB 3.71Å; F923-A928 HydrophobicContact CG-CB 4.15Å; F923-A928 VanDerWaalsContact O-CB 3.23Å; F923-A928 WeakPolarHBondContact O-CB 3.33Å; F923-A928 PolarHBondContact O-N 2.85Å; F923-I932 HydrophobicContact CD2-CG2 4.4Å; F923-I932 HydrophobicContact CE2-CG2 4.16Å; F923-L933 HydrophobicContact CB-CD2 3.5Å; F923-L933 VanDerWaalsContact CB-CD2 3.5Å; F923-L933 HydrophobicContact CB-CG 4.39Å; F923-L933 HydrophobicContact CD2-CD2 4.39Å; F923-L933 HydrophobicContact CG-CD2 4.48Å; F923-T936 HydrophobicContact CE2-CG2 4.03Å; F923-W979 AromaticContact CD1-CE3 3.81Å; F923-W979 HydrophobicContact CD1-CE3 3.81Å; F923-W979 HydrophobicContact CD1-CZ3 4.44Å; F923-W979 HydrophobicContact CE1-CB 3.9Å; F923-W979 HydrophobicContact CE1-CE3 4.01Å; F923-W979 WeakPolarHBondContact CE1-O 3.39Å; F923-W979 HydrophobicContact CZ-CB 3.89Å; F923-H980 AromaticContact CE2-CE1 3.66Å; F923-H980 AromaticContact CE2-NE2 3.9Å; F923-H980 AromaticContact CZ-CE1 3.72Å; F923-H980 AromaticContact CZ-ND1 3.87Å; F923-H980 AromaticContact CZ-NE2 3.92Å
924	I	93.2	Very high	90.6	Very high	29 Å²	29	41.8 Å²	41.8	15%	0.149	20%	0.195	C	C	.	.	H	α-helix	trans	-67.6	-46.7	177.8	-70.2	167	0	0	0	110.9	Y897 L901 A904 I920 V921 N926 E927 L933	Y897-I924 HydrophobicContact CE2-CD1 4.35Å; L901-I924 HydrophobicContact CB-CD1 4.45Å; L901-I924 HydrophobicContact CD1-CD1 4.44Å; L901-I924 HydrophobicContact CD1-CG2 3.94Å; A904-I924 HydrophobicContact CB-CB 3.86Å; A904-I924 HydrophobicContact CB-CD1 4.47Å; A904-I924 HydrophobicContact CB-CG2 3.47Å; A904-I924 VanDerWaalsContact CB-CG2 3.47Å; I920-I924 HydrophobicContact CG2-CD1 3.78Å; I920-I924 HydrophobicContact CG2-CG1 4.3Å; I920-I924 WeakPolarHBondContact O-CB 3.37Å; I920-I924 WeakPolarHBondContact O-CG1 3.27Å; I920-I924 PolarHBondContact O-N 3.01Å; V921-I924 PolarHBondContact O-N 2.88Å; I924-N926 PolarHBondContact O-N 3.31Å; I924-E927 PolarHBondContact O-N 3.15Å; I924-E927 VanDerWaalsContact O-N 3.14Å; I924-L933 HydrophobicContact CG1-CD1 4.22Å; I924-L933 HydrophobicContact CG1-CD2 3.81Å
925	Q	91.6	Very high	90.5	Very high	53 Å²	53	42 Å²	42	25%	0.248	20%	0.196	C	C	.	.	H	α-helix	trans	-67.9	-18.9	-178.7	-70	-178.8	-32.7	0	0	113.5	A904 R915 V921 Y1028	A904-Q925 HydrophobicContact CB-CG 3.91Å; A904-Q925 PolarHBondContact O-NE2 2.57Å; A904-Q925 VanDerWaalsContact O-NE2 3.1Å; R915-Q925 VanDerWaalsContact CD-OE1 3.26Å; V921-Q925 HydrophobicContact CG1-CG 4.43Å; V921-Q925 PolarHBondContact O-N 2.93Å; Q925-Y1028 WeakPolarHBondContact O-CD2 3.36Å
926	N	91.8	Very high	90.5	Very high	21 Å²	21	41 Å²	41	11%	0.112	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	15.8	175	-70	-71.6	0	0	0	113.8	Y922 I924 A928 W979 Y1028 R1029	Y922-N926 WeakPolarHBondContact O-CB 3.49Å; Y922-N926 PolarHBondContact O-N 3.11Å; Y922-N926 PolarHBondContact O-ND2 3.24Å; I924-N926 PolarHBondContact O-N 3.31Å; N926-A928 VanDerWaalsContact C-N 3.3Å; N926-A928 PolarHBondContact O-N 3.38Å; N926-W979 HydrophobicContact CB-CH2 3.9Å; N926-W979 HydrophobicContact CB-CZ3 3.76Å; N926-W979 WeakPolarHBondContact O-CH2 3.44Å; N926-Y1028 PolarHBondContact ND2-O 2.87Å; N926-Y1028 WeakPolarHBondContact OD1-CA 3.32Å; N926-Y1028 WeakPolarHBondContact OD1-CB 3.46Å; N926-Y1028 PolarHBondContact OD1-O 2.94Å; N926-R1029 HydrophobicContact CB-CG 4.35Å; N926-R1029 WeakPolarHBondContact OD1-CG 3.35Å; N926-R1029 PolarHBondContact OD1-N 2.89Å; N926-R1029 VanDerWaalsContact OD1-N 3.1Å
927	E	92	Very high	90.5	Very high	182 Å²	182	41.3 Å²	41.3	85%	0.85	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	32.9	176.5	-53.1	-165.3	155.9	0	0	115.3	F923 I924	F923-E927 PolarHBondContact O-N 3.33Å; I924-E927 PolarHBondContact O-N 3.15Å; I924-E927 VanDerWaalsContact O-N 3.14Å
928	A	90.8	Very high	90.6	Very high	5 Å²	5	40 Å²	40	4%	0.041	19%	0.189	C	C	.	.			trans	-57.7	145.5	-178.8	0	0	0	0	0	112.6	F923 N926 K930 L933 W979	F923-A928 HydrophobicContact CB-CB 3.71Å; F923-A928 HydrophobicContact CG-CB 4.15Å; F923-A928 VanDerWaalsContact O-CB 3.23Å; F923-A928 WeakPolarHBondContact O-CB 3.33Å; F923-A928 PolarHBondContact O-N 2.85Å; N926-A928 VanDerWaalsContact C-N 3.3Å; N926-A928 PolarHBondContact O-N 3.38Å; A928-K930 PolarHBondContact O-N 2.75Å; A928-L933 HydrophobicContact CB-CG 4.5Å; A928-L933 WeakPolarHBondContact O-CD1 3.44Å; A928-W979 HydrophobicContact CB-CD2 4.01Å; A928-W979 HydrophobicContact CB-CE3 4.03Å; A928-W979 HydrophobicContact CB-CH2 3.85Å; A928-W979 HydrophobicContact CB-CZ2 3.83Å; A928-W979 HydrophobicContact CB-CZ3 3.95Å
929	P	90.5	Very high	90.7	Very high	46 Å²	46	42.5 Å²	42.5	30%	0.299	20%	0.204	S	C	.	.			trans	-53	134.2	-178.1	-26.8	32.5	0	0	0	113.1	K931 I932 L933 E975	P929-K931 PolarHBondContact O-N 3.33Å; P929-I932 HydrophobicContact CB-CD1 4.28Å; P929-I932 HydrophobicContact CB-CG1 4.3Å; P929-I932 HydrophobicContact CG-CD1 4.01Å; P929-I932 WeakPolarHBondContact O-CA 3.36Å; P929-I932 WeakPolarHBondContact O-CB 3.38Å; P929-I932 PolarHBondContact O-N 2.83Å; P929-L933 PolarHBondContact O-N 2.57Å; P929-L933 VanDerWaalsContact O-N 3.08Å; P929-E975 VanDerWaalsContact CG-OE1 3.31Å; P929-E975 WeakPolarHBondContact CG-OE1 3.48Å
930	K	85.7	Confident	90.6	Very high	178 Å²	178	43.2 Å²	43.2	77%	0.774	21%	0.207	S	C	*	.	H	α-helix	trans	-52.7	-32	-177.5	-67.2	-176.3	179.5	179	0	113.9	A928 E934	A928-K930 PolarHBondContact O-N 2.75Å; K930-E934 VanDerWaalsContact O-CB 3.25Å; K930-E934 WeakPolarHBondContact O-CB 3.18Å; K930-E934 PolarHBondContact O-N 3.45Å
931	K	84.8	Confident	90.5	Very high	111 Å²	111	43.1 Å²	43.1	48%	0.483	21%	0.206	S	C	.	.	H	α-helix	trans	-71.4	-32	175.6	-66	-164.3	179.1	-175.3	0	114	P929 R935 E970 V971	P929-K931 PolarHBondContact O-N 3.33Å; K931-R935 VanDerWaalsContact O-CB 3.24Å; K931-R935 WeakPolarHBondContact O-CB 3.34Å; K931-R935 PolarHBondContact O-N 2.86Å; K931-E970 WeakPolarHBondContact CD-O 3.29Å; K931-E970 WeakPolarHBondContact CE-O 3.31Å; K931-E970 PolarHBondContact NZ-O 3.16Å; K931-V971 HydrophobicContact CB-CG2 4.2Å; K931-V971 HydrophobicContact CD-CG2 4.41Å
932	I	88.4	Confident	90.4	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-73.9	-42.3	174.7	-66.4	178.8	0	0	0	109.1	F923 P929 R935 T936 V971 E975 Y976 W979	F923-I932 HydrophobicContact CD2-CG2 4.4Å; F923-I932 HydrophobicContact CE2-CG2 4.16Å; P929-I932 HydrophobicContact CB-CD1 4.28Å; P929-I932 HydrophobicContact CB-CG1 4.3Å; P929-I932 HydrophobicContact CG-CD1 4.01Å; P929-I932 WeakPolarHBondContact O-CA 3.36Å; P929-I932 WeakPolarHBondContact O-CB 3.38Å; P929-I932 PolarHBondContact O-N 2.83Å; I932-R935 PolarHBondContact O-N 3.07Å; I932-T936 VanDerWaalsContact O-CB 3.26Å; I932-T936 WeakPolarHBondContact O-CB 3.32Å; I932-T936 PolarHBondContact O-N 2.67Å; I932-T936 PolarHBondContact O-OG1 3.18Å; I932-V971 HydrophobicContact CG1-CG1 4.32Å; I932-E975 HydrophobicContact CD1-CB 4.23Å; I932-E975 HydrophobicContact CD1-CG 3.71Å; I932-Y976 HydrophobicContact CG2-CD2 4.06Å; I932-W979 HydrophobicContact CD1-CG 4.45Å; I932-W979 HydrophobicContact CG2-CB 4.41Å; I932-W979 HydrophobicContact CG2-CG 4.5Å
933	L	89.6	Confident	90.1	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-56.5	-50.1	169.7	-74.4	166.7	0	0	0	112	I920 F923 I924 A928 P929 T936 L937	I920-L933 HydrophobicContact CD1-CD2 4.37Å; I920-L933 HydrophobicContact CG2-CD2 4.09Å; F923-L933 HydrophobicContact CB-CD2 3.5Å; F923-L933 VanDerWaalsContact CB-CD2 3.5Å; F923-L933 HydrophobicContact CB-CG 4.39Å; F923-L933 HydrophobicContact CD2-CD2 4.39Å; F923-L933 HydrophobicContact CG-CD2 4.48Å; I924-L933 HydrophobicContact CG1-CD1 4.22Å; I924-L933 HydrophobicContact CG1-CD2 3.81Å; A928-L933 HydrophobicContact CB-CG 4.5Å; A928-L933 WeakPolarHBondContact O-CD1 3.44Å; P929-L933 PolarHBondContact O-N 2.57Å; P929-L933 VanDerWaalsContact O-N 3.08Å; L933-T936 PolarHBondContact O-N 2.89Å; L933-L937 VanDerWaalsContact O-CB 3.29Å; L933-L937 WeakPolarHBondContact O-CB 3.42Å; L933-L937 PolarHBondContact O-N 3.02Å
934	E	87.9	Confident	89.6	Confident	116 Å²	116	52.5 Å²	52.5	54%	0.542	25%	0.247	S	C	.	.	H	α-helix	trans	-61.6	-47.7	178.4	-179.4	169.3	-149.3	0	0	112.2	K930 L937 L938	K930-E934 VanDerWaalsContact O-CB 3.25Å; K930-E934 WeakPolarHBondContact O-CB 3.18Å; K930-E934 PolarHBondContact O-N 3.45Å; E934-L937 PolarHBondContact O-N 2.62Å; E934-L938 HydrophobicContact CG-CD1 4.07Å; E934-L938 WeakPolarHBondContact O-CB 3.42Å; E934-L938 WeakPolarHBondContact O-CG 3.29Å; E934-L938 PolarHBondContact O-N 3.15Å
935	R	88.9	Confident	89	Confident	47 Å²	47	51.2 Å²	51.2	18%	0.177	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-43	176.6	-174.6	173.5	178.8	78.5	-1	112.1	K931 I932 L938 T939 L963 Y976	K931-R935 VanDerWaalsContact O-CB 3.24Å; K931-R935 WeakPolarHBondContact O-CB 3.34Å; K931-R935 PolarHBondContact O-N 2.86Å; I932-R935 PolarHBondContact O-N 3.07Å; R935-L938 WeakPolarHBondContact O-CB 3.38Å; R935-L938 PolarHBondContact O-N 3.19Å; R935-T939 PolarHBondContact O-N 2.79Å; R935-T939 PolarHBondContact O-OG1 3.44Å; R935-L963 HydrophobicContact CG-CD1 3.93Å; R935-Y976 HydrophobicContact CB-CD2 4.41Å; R935-Y976 HydrophobicContact CB-CE2 4.09Å; R935-Y976 HydrophobicContact CG-CD2 4.23Å; R935-Y976 HydrophobicContact CG-CE2 3.76Å
936	T	91	Very high	88.6	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-42.1	-179.7	-51.9	0	0	0	0	111.1	V919 I920 F923 I932 L933 T939 Q940 Y976 H980	V919-T936 HydrophobicContact CG1-CG2 4.11Å; I920-T936 HydrophobicContact CD1-CG2 3.65Å; F923-T936 HydrophobicContact CE2-CG2 4.03Å; I932-T936 VanDerWaalsContact O-CB 3.26Å; I932-T936 WeakPolarHBondContact O-CB 3.32Å; I932-T936 PolarHBondContact O-N 2.67Å; I932-T936 PolarHBondContact O-OG1 3.18Å; L933-T936 PolarHBondContact O-N 2.89Å; T936-T939 WeakPolarHBondContact O-CB 3.34Å; T936-T939 PolarHBondContact O-N 3.2Å; T936-Q940 WeakPolarHBondContact O-CG 3.46Å; T936-Q940 PolarHBondContact O-N 3.21Å; T936-Y976 WeakPolarHBondContact OG1-CE2 3.23Å; T936-H980 PolarHBondContact OG1-CE1 2.87Å
937	L	90.8	Very high	88	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-67.9	-35.2	175.8	-172	62.8	0	0	0	111.9	I893 E896 Y897 L900 I920 L933 E934 Q940 F941	I893-L937 HydrophobicContact CD1-CD2 4.06Å; I893-L937 HydrophobicContact CD1-CG 4.05Å; I893-L937 HydrophobicContact CG1-CD2 3.47Å; I893-L937 VanDerWaalsContact CG1-CD2 3.47Å; I893-L937 HydrophobicContact CG1-CG 3.76Å; E896-L937 HydrophobicContact CG-CD1 3.84Å; Y897-L937 HydrophobicContact CD2-CD2 4.24Å; L900-L937 HydrophobicContact CD1-CD1 4.23Å; I920-L937 HydrophobicContact CD1-CB 4.36Å; L933-L937 VanDerWaalsContact O-CB 3.29Å; L933-L937 WeakPolarHBondContact O-CB 3.42Å; L933-L937 PolarHBondContact O-N 3.02Å; E934-L937 PolarHBondContact O-N 2.62Å; L937-Q940 WeakPolarHBondContact O-CB 3.33Å; L937-Q940 PolarHBondContact O-N 3.2Å; L937-F941 HydrophobicContact CD1-CD2 4.22Å; L937-F941 HydrophobicContact CD1-CE2 4.11Å; L937-F941 HydrophobicContact CG-CD2 4.34Å; L937-F941 HydrophobicContact CG-CE2 4.44Å; L937-F941 WeakPolarHBondContact O-CD2 3.4Å; L937-F941 PolarHBondContact O-N 2.66Å
938	L	89.9	Confident	87.2	Confident	8 Å²	8	40.7 Å²	40.7	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-44.6	170.2	-81	165.1	0	0	0	112.1	F889 I893 E934 R935 Q940 F941 A942 K962 L963 I966	F889-L938 HydrophobicContact CE2-CD2 4.29Å; F889-L938 HydrophobicContact CZ-CD2 3.61Å; I893-L938 HydrophobicContact CD1-CD2 4.28Å; I893-L938 HydrophobicContact CD1-CG 4.4Å; E934-L938 HydrophobicContact CG-CD1 4.07Å; E934-L938 WeakPolarHBondContact O-CB 3.42Å; E934-L938 WeakPolarHBondContact O-CG 3.29Å; E934-L938 PolarHBondContact O-N 3.15Å; R935-L938 WeakPolarHBondContact O-CB 3.38Å; R935-L938 PolarHBondContact O-N 3.19Å; L938-Q940 VanDerWaalsContact C-N 3.29Å; L938-Q940 PolarHBondContact O-N 2.94Å; L938-F941 CarbonylContact O-C 3.54Å; L938-F941 PolarHBondContact O-N 3.23Å; L938-A942 WeakPolarHBondContact O-CB 3.5Å; L938-A942 PolarHBondContact O-N 3.19Å; L938-K962 HydrophobicContact CD2-CB 3.84Å; L938-L963 HydrophobicContact CB-CD1 4.06Å; L938-I966 HydrophobicContact CD1-CD1 3.48Å; L938-I966 VanDerWaalsContact CD1-CD1 3.48Å
939	T	90.4	Very high	86.5	Confident	57 Å²	57	42 Å²	42	35%	0.35	20%	0.202	S	C	.	.	H	α-helix	trans	-57.6	-43	173.8	-57.9	0	0	0	0	111.1	R935 T936 A942 D943	R935-T939 PolarHBondContact O-N 2.79Å; R935-T939 PolarHBondContact O-OG1 3.44Å; T936-T939 WeakPolarHBondContact O-CB 3.34Å; T936-T939 PolarHBondContact O-N 3.2Å; T939-A942 PolarHBondContact O-N 3.38Å; T939-A942 VanDerWaalsContact O-N 3.13Å; T939-D943 PolarHBondContact O-N 3.06Å; T939-D943 VanDerWaalsContact O-N 3.16Å
940	Q	91.1	Very high	86	Confident	27 Å²	27	44.1 Å²	44.1	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-43.7	175.2	-79.5	-174.6	-32.6	0	0	112.9	N865 I869 T936 L937 L938 A942 L946	N865-Q940 PolarHBondContact OD1-NE2 3.03Å; I869-Q940 HydrophobicContact CD1-CB 3.77Å; I869-Q940 HydrophobicContact CD1-CG 4.42Å; T936-Q940 WeakPolarHBondContact O-CG 3.46Å; T936-Q940 PolarHBondContact O-N 3.21Å; L937-Q940 WeakPolarHBondContact O-CB 3.33Å; L937-Q940 PolarHBondContact O-N 3.2Å; L938-Q940 VanDerWaalsContact C-N 3.29Å; L938-Q940 PolarHBondContact O-N 2.94Å; Q940-A942 VanDerWaalsContact C-N 3.28Å; Q940-A942 PolarHBondContact O-N 3.33Å; Q940-L946 WeakPolarHBondContact O-CD1 3.32Å
941	F	91.2	Very high	85.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-74.3	-13.7	173.8	-88.6	-93.5	0	0	0	114.1	I869 A872 I873 F889 A892 I893 E896 L937 L938 L946 I955 M956 A959	I869-F941 HydrophobicContact CG1-CE2 4.37Å; I869-F941 HydrophobicContact CG2-CD1 3.9Å; I869-F941 HydrophobicContact CG2-CD2 4.28Å; I869-F941 HydrophobicContact CG2-CE1 3.77Å; I869-F941 HydrophobicContact CG2-CE2 4.16Å; I869-F941 HydrophobicContact CG2-CG 4.17Å; I869-F941 HydrophobicContact CG2-CZ 3.9Å; A872-F941 HydrophobicContact CB-CZ 4.49Å; I873-F941 HydrophobicContact CD1-CD1 4.34Å; I873-F941 HydrophobicContact CD1-CE1 4.13Å; I873-F941 HydrophobicContact CG1-CD1 4.5Å; I873-F941 HydrophobicContact CG1-CE1 3.86Å; F889-F941 HydrophobicContact CD2-CD1 4.27Å; F889-F941 HydrophobicContact CE2-CB 4.13Å; F889-F941 HydrophobicContact CE2-CD1 4.32Å; F889-F941 HydrophobicContact CE2-CG 4.24Å; A892-F941 HydrophobicContact CB-CE1 3.73Å; A892-F941 HydrophobicContact CB-CZ 4.02Å; I893-F941 HydrophobicContact CB-CE2 4.13Å; I893-F941 HydrophobicContact CB-CZ 4.31Å; I893-F941 HydrophobicContact CD1-CD2 4.48Å; I893-F941 HydrophobicContact CG1-CD2 4.18Å; I893-F941 HydrophobicContact CG1-CE2 4.04Å; E896-F941 HydrophobicContact CB-CE2 3.82Å; E896-F941 HydrophobicContact CB-CZ 3.97Å; E896-F941 HydrophobicContact CG-CE2 3.91Å; E896-F941 HydrophobicContact CG-CZ 4.37Å; L937-F941 HydrophobicContact CD1-CD2 4.22Å; L937-F941 HydrophobicContact CD1-CE2 4.11Å; L937-F941 HydrophobicContact CG-CD2 4.34Å; L937-F941 HydrophobicContact CG-CE2 4.44Å; L937-F941 WeakPolarHBondContact O-CD2 3.4Å; L937-F941 PolarHBondContact O-N 2.66Å; L938-F941 CarbonylContact O-C 3.54Å; L938-F941 PolarHBondContact O-N 3.23Å; F941-L946 WeakPolarHBondContact O-CD1 3.46Å; F941-I955 HydrophobicContact CD1-CG2 4.1Å; F941-I955 HydrophobicContact CE1-CG2 4.47Å; F941-M956 WeakPolarHBondContact O-CA 3.19Å; F941-A959 HydrophobicContact CB-CB 3.69Å; F941-A959 WeakPolarHBondContact O-CB 3.47Å
942	A	90.2	Very high	85.9	Confident	10 Å²	10	33.1 Å²	33.1	8%	0.083	16%	0.158	C	C	.	.	H	α-helix	trans	-96	-5.3	179.3	0	0	0	0	0	113.7	L938 T939 Q940 R944 A959 R960 L963	L938-A942 WeakPolarHBondContact O-CB 3.5Å; L938-A942 PolarHBondContact O-N 3.19Å; T939-A942 PolarHBondContact O-N 3.38Å; T939-A942 VanDerWaalsContact O-N 3.13Å; Q940-A942 VanDerWaalsContact C-N 3.28Å; Q940-A942 PolarHBondContact O-N 3.33Å; A942-R944 PolarHBondContact O-N 3.45Å; A942-A959 HydrophobicContact CB-CB 4.2Å; A942-R960 HydrophobicContact CB-CG 3.69Å; A942-R960 PolarHBondContact O-NE 3.25Å; A942-R960 PolarHBondContact O-NH2 3.05Å; A942-L963 HydrophobicContact CB-CD2 4.38Å
943	D	87.8	Confident	85.8	Confident	42 Å²	42	35.3 Å²	35.3	23%	0.225	17%	0.168	C	C	.	.			trans	-53.5	134.5	-178.6	-170.5	-15.7	0	0	0	111.4	M866 T939 N945 L946	M866-D943 HydrophobicContact CE-CB 3.98Å; M866-D943 WeakPolarHBondContact CE-OD2 3.42Å; T939-D943 PolarHBondContact O-N 3.06Å; T939-D943 VanDerWaalsContact O-N 3.16Å; D943-N945 VanDerWaalsContact CG-ND2 3.27Å; D943-N945 PolarHBondContact O-N 2.93Å; D943-N945 VanDerWaalsContact O-N 3.14Å; D943-N945 PolarHBondContact OD1-N 3.45Å; D943-N945 PolarHBondContact OD1-ND2 3.1Å; D943-N945 PolarHBondContact OD2-ND2 3.23Å; D943-L946 WeakPolarHBondContact O-CB 3.37Å; D943-L946 PolarHBondContact O-N 2.77Å; D943-L946 VanDerWaalsContact O-N 3.08Å
944	R	83.2	Confident	85.7	Confident	145 Å²	145	35.8 Å²	35.8	55%	0.547	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-54	-29.6	173.6	69	178.4	-176.5	-176.5	1.3	112.5	A942 L946 A947	A942-R944 PolarHBondContact O-N 3.45Å; R944-L946 PolarHBondContact O-N 2.81Å; R944-L946 VanDerWaalsContact O-N 3.11Å; R944-A947 WeakPolarHBondContact O-CB 3.41Å; R944-A947 PolarHBondContact O-N 3.02Å
945	N	82.4	Confident	85.7	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-62.5	-20	-179.3	-63	-50.4	0	0	0	112.8	Y856 D857 I860 M861 M866 D943 A947 F948	Y856-N945 VanDerWaalsContact CA-OD1 3.28Å; Y856-N945 WeakPolarHBondContact CA-OD1 3.21Å; D857-N945 PolarHBondContact N-OD1 3.36Å; I860-N945 WeakPolarHBondContact CG2-ND2 3.49Å; M861-N945 HydrophobicContact SD-CB 4.43Å; M866-N945 HydrophobicContact CE-CB 4.13Å; D943-N945 VanDerWaalsContact CG-ND2 3.27Å; D943-N945 PolarHBondContact O-N 2.93Å; D943-N945 VanDerWaalsContact O-N 3.14Å; D943-N945 PolarHBondContact OD1-N 3.45Å; D943-N945 PolarHBondContact OD1-ND2 3.1Å; D943-N945 PolarHBondContact OD2-ND2 3.23Å; N945-A947 VanDerWaalsContact C-N 3.34Å; N945-F948 WeakPolarHBondContact O-CD1 3.25Å
946	L	83.1	Confident	85.9	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-82.3	-1.9	174.7	-66.7	168.8	0	0	0	114.5	M866 I869 I870 I873 Q940 F941 D943 R944 F948 C952 K953 M956	M866-L946 HydrophobicContact SD-CD1 4.4Å; M866-L946 HydrophobicContact SD-CD2 3.44Å; M866-L946 WeakPolarHBondContact SD-CD2 3.49Å; M866-L946 HydrophobicContact SD-CG 3.73Å; I869-L946 HydrophobicContact CG2-CD1 3.94Å; I869-L946 HydrophobicContact CG2-CD2 4.01Å; I870-L946 HydrophobicContact CD1-CD2 4.29Å; I870-L946 HydrophobicContact CG1-CD2 3.71Å; I873-L946 HydrophobicContact CD1-CD2 4.23Å; Q940-L946 WeakPolarHBondContact O-CD1 3.32Å; F941-L946 WeakPolarHBondContact O-CD1 3.46Å; D943-L946 WeakPolarHBondContact O-CB 3.37Å; D943-L946 PolarHBondContact O-N 2.77Å; D943-L946 VanDerWaalsContact O-N 3.08Å; R944-L946 PolarHBondContact O-N 2.81Å; R944-L946 VanDerWaalsContact O-N 3.11Å; L946-F948 HydrophobicContact CD2-CE1 4.12Å; L946-F948 PolarHBondContact O-N 3.06Å; L946-C952 CarbonylContact O-C 3.59Å; L946-C952 WeakPolarHBondContact O-CB 3.28Å; L946-K953 PolarHBondContact O-N 2.79Å; L946-M956 HydrophobicContact CB-CB 4.12Å; L946-M956 HydrophobicContact CB-CG 4.27Å; L946-M956 HydrophobicContact CB-SD 4.4Å
947	A	77.9	Confident	85.8	Confident	31 Å²	31	33.4 Å²	33.4	26%	0.256	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	13.6	-177.2	0	0	0	0	0	114.6	R944 N945 M956	R944-A947 WeakPolarHBondContact O-CB 3.41Å; R944-A947 PolarHBondContact O-N 3.02Å; N945-A947 VanDerWaalsContact C-N 3.34Å; A947-M956 HydrophobicContact CB-CE 3.9Å; A947-M956 HydrophobicContact CB-SD 3.87Å
948	F	74.8	Confident	85.8	Confident	3 Å²	3	34.1 Å²	34.1	1%	0.013	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-48	-164.2	63.7	-96.6	0	0	0	115.4	F847 I849 E850 M861 I870 N945 L946 C952	F847-F948 HydrophobicContact CB-CD2 4.25Å; F847-F948 HydrophobicContact CB-CE2 3.75Å; F847-F948 HydrophobicContact CD1-CE2 4.17Å; F847-F948 AromaticContact CG-CE2 3.97Å; F847-F948 HydrophobicContact CG-CE2 3.97Å; I849-F948 CarbonylContact C-O 3.32Å; I849-F948 WeakPolarHBondContact CA-O 3.26Å; I849-F948 HydrophobicContact CB-CB 3.86Å; I849-F948 HydrophobicContact CD1-CB 3.68Å; I849-F948 HydrophobicContact CD1-CD2 4.03Å; I849-F948 HydrophobicContact CD1-CG 3.96Å; I849-F948 HydrophobicContact CG1-CB 3.65Å; I849-F948 HydrophobicContact CG1-CD2 3.8Å; I849-F948 HydrophobicContact CG1-CG 4.05Å; I849-F948 HydrophobicContact CG2-CB 3.36Å; E850-F948 PolarHBondContact N-O 3.13Å; M861-F948 HydrophobicContact CE-CD1 3.63Å; M861-F948 HydrophobicContact CE-CE1 3.67Å; M861-F948 HydrophobicContact CE-CG 4.15Å; M861-F948 HydrophobicContact CE-CZ 4.22Å; M861-F948 HydrophobicContact SD-CD1 4.28Å; M861-F948 HydrophobicContact SD-CE1 4.27Å; I870-F948 HydrophobicContact CD1-CE1 3.56Å; I870-F948 HydrophobicContact CD1-CZ 3.67Å; I870-F948 HydrophobicContact CG1-CE1 3.88Å; I870-F948 HydrophobicContact CG1-CZ 3.83Å; I870-F948 HydrophobicContact CG2-CZ 3.83Å; N945-F948 WeakPolarHBondContact O-CD1 3.25Å; L946-F948 HydrophobicContact CD2-CE1 4.12Å; L946-F948 PolarHBondContact O-N 3.06Å; F948-C952 HydrophobicContact CD1-CB 4.37Å; F948-C952 HydrophobicContact CE1-CB 3.97Å; F948-C952 HydrophobicContact CE2-CB 4.32Å; F948-C952 HydrophobicContact CZ-CB 3.94Å; F948-C952 WeakPolarHBondContact CZ-SG 3.43Å
949	D	76.6	Confident	85.8	Confident	32 Å²	32	33.8 Å²	33.8	17%	0.171	17%	0.166	C	C	.	.	S	Bend	trans	-109.7	143.3	178.4	136.3	74.8	0	0	0	108.1	R951 C952 K953	D949-R951 PolarHBondContact O-N 2.87Å; D949-R951 VanDerWaalsContact O-N 3.1Å; D949-R951 PolarHBondContact OD1-N 3.46Å; D949-R951 IonicContact OD1-NH1 3.18Å; D949-R951 VanDerWaalsContact OD2-CB 3.3Å; D949-R951 WeakPolarHBondContact OD2-CB 3.15Å; D949-R951 PolarHBondContact OD2-N 3.49Å; D949-R951 IonicContact OD2-NH1 3.03Å; D949-C952 HydrophobicContact CB-CB 4.43Å; D949-C952 CarbonylContact O-C 3.56Å; D949-C952 PolarHBondContact O-N 3.4Å; D949-C952 PolarHBondContact OD2-N 3.03Å; D949-C952 PolarHBondContact OD2-SG 2.95Å; D949-K953 WeakPolarHBondContact O-CB 3.27Å; D949-K953 PolarHBondContact O-N 2.96Å
950	E	80.4	Confident	85.8	Confident	92 Å²	92	35.5 Å²	35.5	43%	0.43	17%	0.166	S	C	.	.	H	α-helix	trans	-57.1	-30	-176.4	-83.2	-62.9	146.5	0	0	113.5	Y880 K953 S954	Y880-E950 PolarHBondContact OH-O 3.1Å; E950-K953 WeakPolarHBondContact OE1-CD 3.14Å; E950-K953 VanDerWaalsContact OE1-CE 3.29Å; E950-K953 WeakPolarHBondContact OE1-CE 3.44Å; E950-K953 IonicContact OE1-NZ 3.18Å; E950-K953 PolarHBondContact OE1-NZ 3.23Å; E950-S954 WeakPolarHBondContact O-CB 3.48Å; E950-S954 PolarHBondContact O-N 2.65Å; E950-S954 PolarHBondContact O-OG 3.45Å
951	R	83.5	Confident	85.6	Confident	57 Å²	57	36.7 Å²	36.7	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-69.8	-48.1	172.5	-179.2	-162.6	-62.8	109.5	-12	111.4	I873 S877 Y880 E881 D949 I955	I873-R951 HydrophobicContact CG2-CG 4.32Å; S877-R951 PolarHBondContact OG-NE 2.88Å; Y880-R951 HydrophobicContact CD1-CG 4.03Å; Y880-R951 HydrophobicContact CD2-CG 3.62Å; Y880-R951 HydrophobicContact CE1-CB 4.2Å; Y880-R951 HydrophobicContact CE1-CG 4.15Å; Y880-R951 HydrophobicContact CE2-CB 4.17Å; Y880-R951 HydrophobicContact CE2-CG 3.73Å; Y880-R951 HydrophobicContact CG-CG 3.78Å; E881-R951 IonicContact OE1-NH2 3.76Å; D949-R951 PolarHBondContact O-N 2.87Å; D949-R951 VanDerWaalsContact O-N 3.1Å; D949-R951 PolarHBondContact OD1-N 3.46Å; D949-R951 IonicContact OD1-NH1 3.18Å; D949-R951 VanDerWaalsContact OD2-CB 3.3Å; D949-R951 WeakPolarHBondContact OD2-CB 3.15Å; D949-R951 PolarHBondContact OD2-N 3.49Å; D949-R951 IonicContact OD2-NH1 3.03Å; R951-I955 HydrophobicContact CG-CD1 4.11Å; R951-I955 WeakPolarHBondContact O-CB 3.4Å; R951-I955 WeakPolarHBondContact O-CG1 3.28Å; R951-I955 PolarHBondContact O-N 3.15Å
952	C	85.7	Confident	85.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-45.7	176.5	-64.3	0	0	0	0	112.2	I873 L946 F948 D949 I955 M956	I873-C952 HydrophobicContact CD1-CB 4.47Å; L946-C952 CarbonylContact O-C 3.59Å; L946-C952 WeakPolarHBondContact O-CB 3.28Å; F948-C952 HydrophobicContact CD1-CB 4.37Å; F948-C952 HydrophobicContact CE1-CB 3.97Å; F948-C952 HydrophobicContact CE2-CB 4.32Å; F948-C952 HydrophobicContact CZ-CB 3.94Å; F948-C952 WeakPolarHBondContact CZ-SG 3.43Å; D949-C952 HydrophobicContact CB-CB 4.43Å; D949-C952 CarbonylContact O-C 3.56Å; D949-C952 PolarHBondContact O-N 3.4Å; D949-C952 PolarHBondContact OD2-N 3.03Å; D949-C952 PolarHBondContact OD2-SG 2.95Å; C952-I955 PolarHBondContact O-N 3.17Å; C952-M956 VanDerWaalsContact O-CB 3.29Å; C952-M956 WeakPolarHBondContact O-CB 3.39Å; C952-M956 PolarHBondContact O-N 3.34Å
953	K	85.8	Confident	85.2	Confident	49 Å²	49	40.5 Å²	40.5	21%	0.213	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-44.3	175.6	-176.5	177.7	174.2	-176.3	0	112.2	L946 D949 E950 M956 Q957	L946-K953 PolarHBondContact O-N 2.79Å; D949-K953 WeakPolarHBondContact O-CB 3.27Å; D949-K953 PolarHBondContact O-N 2.96Å; E950-K953 WeakPolarHBondContact OE1-CD 3.14Å; E950-K953 VanDerWaalsContact OE1-CE 3.29Å; E950-K953 WeakPolarHBondContact OE1-CE 3.44Å; E950-K953 IonicContact OE1-NZ 3.18Å; E950-K953 PolarHBondContact OE1-NZ 3.23Å; K953-M956 HydrophobicContact CG-CE 4.42Å; K953-M956 PolarHBondContact O-N 2.91Å; K953-Q957 WeakPolarHBondContact O-CG 3.33Å; K953-Q957 PolarHBondContact O-N 3.24Å
954	S	86.9	Confident	85.1	Confident	23 Å²	23	44.8 Å²	44.8	16%	0.161	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-38.6	175.2	-66.7	0	0	0	0	112.7	Y880 E950 Q957 V958	Y880-S954 WeakPolarHBondContact OH-CB 3.45Å; Y880-S954 PolarHBondContact OH-OG 2.88Å; E950-S954 WeakPolarHBondContact O-CB 3.48Å; E950-S954 PolarHBondContact O-N 2.65Å; E950-S954 PolarHBondContact O-OG 3.45Å; S954-Q957 PolarHBondContact O-N 3.08Å; S954-V958 WeakPolarHBondContact O-CG2 3.44Å; S954-V958 PolarHBondContact O-N 2.72Å; S954-V958 VanDerWaalsContact O-N 3.13Å
955	I	89.1	Confident	85.1	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-68.8	-38.3	175.3	-75.1	168.6	0	0	0	111.2	I873 Y880 A888 F889 F941 R951 C952 V958 A959	I873-I955 HydrophobicContact CD1-CG2 4.07Å; I873-I955 HydrophobicContact CG1-CD1 4.3Å; I873-I955 HydrophobicContact CG1-CG2 4.15Å; I873-I955 HydrophobicContact CG2-CD1 3.72Å; Y880-I955 HydrophobicContact CD2-CD1 4.16Å; Y880-I955 HydrophobicContact CD2-CG1 4.34Å; Y880-I955 HydrophobicContact CE2-CG1 4.36Å; A888-I955 HydrophobicContact CB-CD1 3.93Å; A888-I955 HydrophobicContact CB-CG1 4.37Å; F889-I955 HydrophobicContact CB-CG1 4.44Å; F889-I955 HydrophobicContact CB-CG2 4.06Å; F889-I955 HydrophobicContact CD2-CG2 3.99Å; F941-I955 HydrophobicContact CD1-CG2 4.1Å; F941-I955 HydrophobicContact CE1-CG2 4.47Å; R951-I955 HydrophobicContact CG-CD1 4.11Å; R951-I955 WeakPolarHBondContact O-CB 3.4Å; R951-I955 WeakPolarHBondContact O-CG1 3.28Å; R951-I955 PolarHBondContact O-N 3.15Å; C952-I955 PolarHBondContact O-N 3.17Å; I955-V958 WeakPolarHBondContact O-CB 3.5Å; I955-V958 PolarHBondContact O-N 3.5Å; I955-A959 PolarHBondContact O-N 3.15Å
956	M	91.9	Very high	84.9	Confident	6 Å²	6	45.1 Å²	45.1	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-40.2	173.7	176.6	-152.7	66.3	0	0	111.9	F941 L946 A947 C952 K953 A959 R960	F941-M956 WeakPolarHBondContact O-CA 3.19Å; L946-M956 HydrophobicContact CB-CB 4.12Å; L946-M956 HydrophobicContact CB-CG 4.27Å; L946-M956 HydrophobicContact CB-SD 4.4Å; A947-M956 HydrophobicContact CB-CE 3.9Å; A947-M956 HydrophobicContact CB-SD 3.87Å; C952-M956 VanDerWaalsContact O-CB 3.29Å; C952-M956 WeakPolarHBondContact O-CB 3.39Å; C952-M956 PolarHBondContact O-N 3.34Å; K953-M956 HydrophobicContact CG-CE 4.42Å; K953-M956 PolarHBondContact O-N 2.91Å; M956-A959 PolarHBondContact O-N 3.49Å; M956-R960 WeakPolarHBondContact O-CG 3.5Å; M956-R960 PolarHBondContact O-N 3.1Å; M956-R960 VanDerWaalsContact SD-CZ 3.6Å; M956-R960 PolarHBondContact SD-NH2 3.14Å; M956-R960 VanDerWaalsContact SD-NH2 3.35Å
957	Q	89.3	Confident	84.4	Confident	109 Å²	109	50.5 Å²	50.5	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-62.9	-40.3	172.8	-74.5	176.6	20.4	0	0	112	K953 S954 R960 A961	K953-Q957 WeakPolarHBondContact O-CG 3.33Å; K953-Q957 PolarHBondContact O-N 3.24Å; S954-Q957 PolarHBondContact O-N 3.08Å; Q957-R960 PolarHBondContact O-N 3.29Å; Q957-A961 WeakPolarHBondContact O-CB 3.44Å; Q957-A961 PolarHBondContact O-N 3Å
958	V	90.3	Very high	83.7	Confident	23 Å²	23	54.1 Å²	54.1	14%	0.139	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-45.6	171.5	173.7	0	0	0	0	110.8	P885 E886 F889 S954 I955 R960 A961 K962	P885-V958 HydrophobicContact CB-CG2 4.12Å; P885-V958 HydrophobicContact CG-CG2 4.5Å; E886-V958 HydrophobicContact CB-CG1 4.41Å; E886-V958 HydrophobicContact CB-CG2 4.45Å; E886-V958 HydrophobicContact CG-CG1 4.35Å; F889-V958 HydrophobicContact CB-CB 4.34Å; F889-V958 HydrophobicContact CB-CG1 3.96Å; F889-V958 HydrophobicContact CD1-CG1 3.62Å; F889-V958 HydrophobicContact CE1-CG1 4.33Å; F889-V958 HydrophobicContact CG-CB 4.37Å; F889-V958 HydrophobicContact CG-CG1 3.76Å; S954-V958 WeakPolarHBondContact O-CG2 3.44Å; S954-V958 PolarHBondContact O-N 2.72Å; S954-V958 VanDerWaalsContact O-N 3.13Å; I955-V958 WeakPolarHBondContact O-CB 3.5Å; I955-V958 PolarHBondContact O-N 3.5Å; V958-R960 PolarHBondContact O-N 3.01Å; V958-A961 PolarHBondContact O-N 3.06Å; V958-K962 HydrophobicContact CG1-CG 4.35Å; V958-K962 WeakPolarHBondContact O-CG 3.29Å; V958-K962 PolarHBondContact O-N 3.28Å
959	A	89.8	Confident	83.3	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-43.5	179.4	0	0	0	0	0	112.3	F889 F941 A942 I955 M956 K962 L963	F889-A959 HydrophobicContact CD2-CB 4.24Å; F889-A959 HydrophobicContact CE2-CB 3.79Å; F941-A959 HydrophobicContact CB-CB 3.69Å; F941-A959 WeakPolarHBondContact O-CB 3.47Å; A942-A959 HydrophobicContact CB-CB 4.2Å; I955-A959 PolarHBondContact O-N 3.15Å; M956-A959 PolarHBondContact O-N 3.49Å; A959-K962 PolarHBondContact O-N 2.91Å; A959-L963 WeakPolarHBondContact O-CB 3.16Å; A959-L963 PolarHBondContact O-N 2.91Å
960	R	90.2	Very high	83.1	Confident	94 Å²	94	63.4 Å²	63.4	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-59.3	-51.4	172.4	-72.3	174.1	-176.2	-172.5	0.6	111.7	A942 M956 Q957 V958 K962 L963 D964	A942-R960 HydrophobicContact CB-CG 3.69Å; A942-R960 PolarHBondContact O-NE 3.25Å; A942-R960 PolarHBondContact O-NH2 3.05Å; M956-R960 WeakPolarHBondContact O-CG 3.5Å; M956-R960 PolarHBondContact O-N 3.1Å; M956-R960 VanDerWaalsContact SD-CZ 3.6Å; M956-R960 PolarHBondContact SD-NH2 3.14Å; M956-R960 VanDerWaalsContact SD-NH2 3.35Å; Q957-R960 PolarHBondContact O-N 3.29Å; V958-R960 PolarHBondContact O-N 3.01Å; R960-K962 PolarHBondContact O-N 3.06Å; R960-L963 CarbonylContact O-C 3.48Å; R960-L963 WeakPolarHBondContact O-CA 3.43Å; R960-L963 WeakPolarHBondContact O-CB 3.25Å; R960-L963 PolarHBondContact O-N 2.93Å; R960-D964 VanDerWaalsContact O-CG 3.3Å; R960-D964 PolarHBondContact O-N 3.14Å
961	A	88.2	Confident	82.9	Confident	51 Å²	51	59.4 Å²	59.4	42%	0.421	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-28.2	177.7	0	0	0	0	0	113.4	Q957 V958 L965	Q957-A961 WeakPolarHBondContact O-CB 3.44Å; Q957-A961 PolarHBondContact O-N 3Å; V958-A961 PolarHBondContact O-N 3.06Å; A961-L965 VanDerWaalsContact O-CD1 3.31Å; A961-L965 WeakPolarHBondContact O-CD1 3.03Å; A961-L965 WeakPolarHBondContact O-CG 3.24Å; A961-L965 PolarHBondContact O-N 3.47Å
962	K	85.8	Confident	82.9	Confident	59 Å²	59	60.5 Å²	60.5	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-75.8	-37.4	169.9	-64.7	-51.8	179.6	-169.9	0	112.6	E886 F889 L938 V958 A959 R960 L965 I966	E886-K962 VanDerWaalsContact OE1-CE 3.29Å; E886-K962 WeakPolarHBondContact OE1-CE 3.19Å; E886-K962 IonicContact OE1-NZ 2.69Å; E886-K962 PolarHBondContact OE1-NZ 2.94Å; F889-K962 HydrophobicContact CE1-CG 4.13Å; L938-K962 HydrophobicContact CD2-CB 3.84Å; V958-K962 HydrophobicContact CG1-CG 4.35Å; V958-K962 WeakPolarHBondContact O-CG 3.29Å; V958-K962 PolarHBondContact O-N 3.28Å; A959-K962 PolarHBondContact O-N 2.91Å; R960-K962 PolarHBondContact O-N 3.06Å; K962-L965 HydrophobicContact CD-CD1 4.49Å; K962-L965 PolarHBondContact O-N 3.21Å; K962-I966 PolarHBondContact O-N 3.18Å
963	L	86.9	Confident	82.8	Confident	32 Å²	32	64.3 Å²	64.3	17%	0.168	33%	0.328	C	S	.	.	H	α-helix	trans	-66	-38.9	177	-170.5	67.3	0	0	0	111.9	R935 L938 A942 A959 R960 L965 I966	R935-L963 HydrophobicContact CG-CD1 3.93Å; L938-L963 HydrophobicContact CB-CD1 4.06Å; A942-L963 HydrophobicContact CB-CD2 4.38Å; A959-L963 WeakPolarHBondContact O-CB 3.16Å; A959-L963 PolarHBondContact O-N 2.91Å; R960-L963 CarbonylContact O-C 3.48Å; R960-L963 WeakPolarHBondContact O-CA 3.43Å; R960-L963 WeakPolarHBondContact O-CB 3.25Å; R960-L963 PolarHBondContact O-N 2.93Å; L963-L965 VanDerWaalsContact C-N 3.28Å; L963-L965 PolarHBondContact O-N 3.28Å; L963-I966 PolarHBondContact O-N 2.7Å
964	D	84.6	Confident	82.7	Confident	132 Å²	132	68.5 Å²	68.5	71%	0.706	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.7	175.6	-63.3	-31.4	0	0	0	113.1	R960	R960-D964 VanDerWaalsContact O-CG 3.3Å; R960-D964 PolarHBondContact O-N 3.14Å
965	L	83.3	Confident	82.8	Confident	121 Å²	121	70.4 Å²	70.4	63%	0.634	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-14.7	175	-76.4	169.4	0	0	0	113.4	A961 K962 L963 K967	A961-L965 VanDerWaalsContact O-CD1 3.31Å; A961-L965 WeakPolarHBondContact O-CD1 3.03Å; A961-L965 WeakPolarHBondContact O-CG 3.24Å; A961-L965 PolarHBondContact O-N 3.47Å; K962-L965 HydrophobicContact CD-CD1 4.49Å; K962-L965 PolarHBondContact O-N 3.21Å; L963-L965 VanDerWaalsContact C-N 3.28Å; L963-L965 PolarHBondContact O-N 3.28Å; L965-K967 PolarHBondContact O-N 3.45Å
966	I	79.8	Confident	82.7	Confident	32 Å²	32	71.5 Å²	71.5	16%	0.164	36%	0.364	C	S	.	.	S	Bend	trans	-76.8	114.6	172.3	-66.5	175.3	0	0	0	108.3	L938 K962 L963 E970 V971	L938-I966 HydrophobicContact CD1-CD1 3.48Å; L938-I966 VanDerWaalsContact CD1-CD1 3.48Å; K962-I966 PolarHBondContact O-N 3.18Å; L963-I966 PolarHBondContact O-N 2.7Å; I966-E970 HydrophobicContact CG2-CB 4.46Å; I966-V971 HydrophobicContact CG2-CG2 3.57Å
967	K	71.7	Confident	82.5	Confident	114 Å²	114	75.2 Å²	75.2	50%	0.496	38%	0.381	S	S	.	.			trans	-75.8	153.8	-176.5	-49.6	-168.2	-162.8	93.3	0	112.3	L965 E969 E970	L965-K967 PolarHBondContact O-N 3.45Å; K967-E969 VanDerWaalsContact CB-OE2 3.23Å; K967-E969 WeakPolarHBondContact CB-OE2 3.41Å; K967-E969 PolarHBondContact O-N 3.41Å; K967-E970 HydrophobicContact CB-CG 4.04Å; K967-E970 HydrophobicContact CG-CG 4.48Å; K967-E970 WeakPolarHBondContact CG-OE1 3.44Å; K967-E970 PolarHBondContact N-OE2 3Å; K967-E970 VanDerWaalsContact N-OE2 3.11Å; K967-E970 IonicContact NZ-OE1 3.47Å; K967-E970 PolarHBondContact NZ-OE1 3.13Å; K967-E970 WeakPolarHBondContact O-CB 3.23Å; K967-E970 PolarHBondContact O-N 2.95Å
968	P	62.7	Low	82.6	Confident	107 Å²	107	74.9 Å²	74.9	70%	0.695	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.9	174.3	-25.6	35.8	0	0	0	113.9	E970	P968-E970 VanDerWaalsContact C-N 3.26Å; P968-E970 PolarHBondContact O-N 3.41Å
969	E	67.2	Low	82.7	Confident	159 Å²	159	74.6 Å²	74.6	74%	0.743	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.8	177.4	-48.9	78.7	-171.3	0	0	113.1	K967	K967-E969 VanDerWaalsContact CB-OE2 3.23Å; K967-E969 WeakPolarHBondContact CB-OE2 3.41Å; K967-E969 PolarHBondContact O-N 3.41Å
970	E	72.3	Confident	82.8	Confident	70 Å²	70	76 Å²	76	33%	0.327	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-24.1	-176.3	-69.4	168.6	-177.3	0	0	112.9	K931 I966 K967 P968	K931-E970 WeakPolarHBondContact CD-O 3.29Å; K931-E970 WeakPolarHBondContact CE-O 3.31Å; K931-E970 PolarHBondContact NZ-O 3.16Å; I966-E970 HydrophobicContact CG2-CB 4.46Å; K967-E970 HydrophobicContact CB-CG 4.04Å; K967-E970 HydrophobicContact CG-CG 4.48Å; K967-E970 WeakPolarHBondContact CG-OE1 3.44Å; K967-E970 PolarHBondContact N-OE2 3Å; K967-E970 VanDerWaalsContact N-OE2 3.11Å; K967-E970 IonicContact NZ-OE1 3.47Å; K967-E970 PolarHBondContact NZ-OE1 3.13Å; K967-E970 WeakPolarHBondContact O-CB 3.23Å; K967-E970 PolarHBondContact O-N 2.95Å; P968-E970 VanDerWaalsContact C-N 3.26Å; P968-E970 PolarHBondContact O-N 3.41Å
971	V	76.2	Confident	82.9	Confident	9 Å²	9	75.2 Å²	75.2	6%	0.055	38%	0.384	C	S	.	.	S	Bend	trans	-130.7	124.6	175.6	-174.6	0	0	0	0	109.8	K931 I932 I966 M973	K931-V971 HydrophobicContact CB-CG2 4.2Å; K931-V971 HydrophobicContact CD-CG2 4.41Å; I932-V971 HydrophobicContact CG1-CG1 4.32Å; I966-V971 HydrophobicContact CG2-CG2 3.57Å; V971-M973 PolarHBondContact O-N 3.42Å; V971-M973 VanDerWaalsContact O-N 3.11Å
972	N	83.2	Confident	83.1	Confident	80 Å²	80	73 Å²	73	43%	0.428	37%	0.365	S	S	.	.			trans	-66.7	108.8	174.6	-177.5	-0.6	0	0	0	109.9	D974 E975 Y976	N972-D974 PolarHBondContact OD1-N 2.88Å; N972-E975 HydrophobicContact CB-CB 3.88Å; N972-E975 WeakPolarHBondContact CB-OE2 3.41Å; N972-E975 VanDerWaalsContact CG-CB 3.49Å; N972-E975 VanDerWaalsContact ND2-CB 3.32Å; N972-E975 WeakPolarHBondContact ND2-CB 3.33Å; N972-E975 PolarHBondContact ND2-OE2 3.02Å; N972-E975 VanDerWaalsContact ND2-OE2 3.13Å; N972-E975 PolarHBondContact OD1-N 2.97Å; N972-Y976 WeakPolarHBondContact O-CB 3.37Å; N972-Y976 PolarHBondContact O-N 3.45Å
973	M	84.1	Confident	83.5	Confident	79 Å²	79	71.6 Å²	71.6	39%	0.389	36%	0.358	S	S	.	.	H	α-helix	trans	-73.3	-31.2	-175.7	-73.2	-58.6	-50.9	0	0	113	V971 E975 Y976 E977	V971-M973 PolarHBondContact O-N 3.42Å; V971-M973 VanDerWaalsContact O-N 3.11Å; M973-E975 VanDerWaalsContact C-N 3.35Å; M973-Y976 HydrophobicContact CE-CD1 4Å; M973-Y976 HydrophobicContact CE-CG 4.43Å; M973-Y976 PolarHBondContact O-N 3.39Å; M973-E977 PolarHBondContact O-N 2.84Å
974	D	83.9	Confident	83.8	Confident	137 Å²	137	74.6 Å²	74.6	73%	0.733	37%	0.367	S	S	*	.	H	α-helix	trans	-67.2	-40.6	176.2	-57.6	-28.6	0	0	0	110.3	N972 M978	N972-D974 PolarHBondContact OD1-N 2.88Å; D974-M978 WeakPolarHBondContact O-CB 3.31Å; D974-M978 PolarHBondContact O-N 2.94Å
975	E	87.9	Confident	84.1	Confident	64 Å²	64	69.7 Å²	69.7	30%	0.299	34%	0.341	S	S	.	.	H	α-helix	trans	-68.6	-41	174.3	-171.9	-179	-179.2	0	0	111.6	P929 I932 N972 M973 E977 M978 W979	P929-E975 VanDerWaalsContact CG-OE1 3.31Å; P929-E975 WeakPolarHBondContact CG-OE1 3.48Å; I932-E975 HydrophobicContact CD1-CB 4.23Å; I932-E975 HydrophobicContact CD1-CG 3.71Å; N972-E975 HydrophobicContact CB-CB 3.88Å; N972-E975 WeakPolarHBondContact CB-OE2 3.41Å; N972-E975 VanDerWaalsContact CG-CB 3.49Å; N972-E975 VanDerWaalsContact ND2-CB 3.32Å; N972-E975 WeakPolarHBondContact ND2-CB 3.33Å; N972-E975 PolarHBondContact ND2-OE2 3.02Å; N972-E975 VanDerWaalsContact ND2-OE2 3.13Å; N972-E975 PolarHBondContact OD1-N 2.97Å; M973-E975 VanDerWaalsContact C-N 3.35Å; E975-E977 PolarHBondContact O-N 2.97Å; E975-M978 HydrophobicContact CG-CE 4.45Å; E975-M978 PolarHBondContact O-N 3.3Å; E975-W979 PolarHBondContact O-N 2.86Å
976	Y	87.9	Confident	84.7	Confident	24 Å²	24	64 Å²	64	9%	0.094	31%	0.311	C	S	.	.	H	α-helix	trans	-57.2	-46.5	173.7	177.6	-83.7	0	0	0	112	I932 R935 T936 N972 M973 H980	I932-Y976 HydrophobicContact CG2-CD2 4.06Å; R935-Y976 HydrophobicContact CB-CD2 4.41Å; R935-Y976 HydrophobicContact CB-CE2 4.09Å; R935-Y976 HydrophobicContact CG-CD2 4.23Å; R935-Y976 HydrophobicContact CG-CE2 3.76Å; T936-Y976 WeakPolarHBondContact OG1-CE2 3.23Å; N972-Y976 WeakPolarHBondContact O-CB 3.37Å; N972-Y976 PolarHBondContact O-N 3.45Å; M973-Y976 HydrophobicContact CE-CD1 4Å; M973-Y976 HydrophobicContact CE-CG 4.43Å; M973-Y976 PolarHBondContact O-N 3.39Å; Y976-H980 AromaticContact CD1-ND1 3.81Å; Y976-H980 AromaticContact CE1-CE1 3.58Å; Y976-H980 AromaticContact CE1-ND1 3.61Å; Y976-H980 AromaticContact CE2-CE1 3.54Å; Y976-H980 AromaticContact CZ-CE1 3.27Å; Y976-H980 AromaticContact CZ-ND1 3.81Å; Y976-H980 AromaticContact CZ-NE2 3.96Å; Y976-H980 PolarHBondContact O-N 3.32Å; Y976-H980 PolarHBondContact O-ND1 3.48Å
977	E	88.3	Confident	85.3	Confident	84 Å²	84	65.6 Å²	65.6	39%	0.393	32%	0.315	S	S	.	.	H	α-helix	trans	-71.8	-36.7	179.3	-167.6	58.7	-148.5	0	0	111.8	M973 E975 W979 H980 Q981 R984	M973-E977 PolarHBondContact O-N 2.84Å; E975-E977 PolarHBondContact O-N 2.97Å; E977-W979 PolarHBondContact O-N 3.45Å; E977-H980 PolarHBondContact O-N 3.46Å; E977-H980 VanDerWaalsContact O-N 3.16Å; E977-Q981 PolarHBondContact O-N 3.42Å; E977-R984 IonicContact OE1-CZ 3.67Å; E977-R984 VanDerWaalsContact OE1-CZ 3.3Å; E977-R984 IonicContact OE1-NH1 3.34Å; E977-R984 PolarHBondContact OE1-NH1 2.67Å; E977-R984 IonicContact OE1-NH2 2.67Å; E977-R984 PolarHBondContact OE1-NH2 3.26Å
978	M	89.9	Confident	86.3	Confident	102 Å²	102	63.6 Å²	63.6	50%	0.502	31%	0.308	S	S	.	.	H	α-helix	trans	-58.7	-44.3	173.3	-176.9	175.8	65.7	0	0	111.9	D974 E975 H980 Q981 D982	D974-M978 WeakPolarHBondContact O-CB 3.31Å; D974-M978 PolarHBondContact O-N 2.94Å; E975-M978 HydrophobicContact CG-CE 4.45Å; E975-M978 PolarHBondContact O-N 3.3Å; M978-H980 VanDerWaalsContact C-N 3.33Å; M978-H980 PolarHBondContact O-N 2.98Å; M978-Q981 PolarHBondContact O-N 3.08Å; M978-D982 PolarHBondContact O-N 2.89Å
979	W	92.5	Very high	87.8	Confident	16 Å²	16	58.5 Å²	58.5	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-39.6	174.4	-86.2	104	0	0	0	112.5	F923 N926 A928 I932 E975 E977 Y983	F923-W979 AromaticContact CD1-CE3 3.81Å; F923-W979 HydrophobicContact CD1-CE3 3.81Å; F923-W979 HydrophobicContact CD1-CZ3 4.44Å; F923-W979 HydrophobicContact CE1-CB 3.9Å; F923-W979 HydrophobicContact CE1-CE3 4.01Å; F923-W979 WeakPolarHBondContact CE1-O 3.39Å; F923-W979 HydrophobicContact CZ-CB 3.89Å; N926-W979 HydrophobicContact CB-CH2 3.9Å; N926-W979 HydrophobicContact CB-CZ3 3.76Å; N926-W979 WeakPolarHBondContact O-CH2 3.44Å; A928-W979 HydrophobicContact CB-CD2 4.01Å; A928-W979 HydrophobicContact CB-CE3 4.03Å; A928-W979 HydrophobicContact CB-CH2 3.85Å; A928-W979 HydrophobicContact CB-CZ2 3.83Å; A928-W979 HydrophobicContact CB-CZ3 3.95Å; I932-W979 HydrophobicContact CD1-CG 4.45Å; I932-W979 HydrophobicContact CG2-CB 4.41Å; I932-W979 HydrophobicContact CG2-CG 4.5Å; E975-W979 PolarHBondContact O-N 2.86Å; E977-W979 PolarHBondContact O-N 3.45Å; W979-Y983 PolarHBondContact O-N 2.92Å; W979-Y983 VanDerWaalsContact O-N 3.15Å
980	H	92.4	Very high	89.1	Confident	31 Å²	31	51 Å²	51	14%	0.144	24%	0.239	C	C	.	.	H	α-helix	trans	-71.1	-35.8	176.1	-75.1	81.3	0	0	0	112.6	F923 T936 Y976 E977 M978 Y983 R984	F923-H980 AromaticContact CE2-CE1 3.66Å; F923-H980 AromaticContact CE2-NE2 3.9Å; F923-H980 AromaticContact CZ-CE1 3.72Å; F923-H980 AromaticContact CZ-ND1 3.87Å; F923-H980 AromaticContact CZ-NE2 3.92Å; T936-H980 PolarHBondContact OG1-CE1 2.87Å; Y976-H980 AromaticContact CD1-ND1 3.81Å; Y976-H980 AromaticContact CE1-CE1 3.58Å; Y976-H980 AromaticContact CE1-ND1 3.61Å; Y976-H980 AromaticContact CE2-CE1 3.54Å; Y976-H980 AromaticContact CZ-CE1 3.27Å; Y976-H980 AromaticContact CZ-ND1 3.81Å; Y976-H980 AromaticContact CZ-NE2 3.96Å; Y976-H980 PolarHBondContact O-N 3.32Å; Y976-H980 PolarHBondContact O-ND1 3.48Å; E977-H980 PolarHBondContact O-N 3.46Å; E977-H980 VanDerWaalsContact O-N 3.16Å; M978-H980 VanDerWaalsContact C-N 3.33Å; M978-H980 PolarHBondContact O-N 2.98Å; H980-Y983 PolarHBondContact O-N 3.18Å; H980-R984 WeakPolarHBondContact O-CG 3.5Å; H980-R984 PolarHBondContact O-N 3.42Å
981	Q	92.4	Very high	90.2	Very high	77 Å²	77	48.3 Å²	48.3	36%	0.36	23%	0.228	S	C	.	.	H	α-helix	trans	-65.6	-43.2	172.4	-172.7	62.6	56.3	0	0	111.3	E977 M978 Y983 R984 N985	E977-Q981 PolarHBondContact O-N 3.42Å; M978-Q981 PolarHBondContact O-N 3.08Å; Q981-Y983 PolarHBondContact O-N 3.07Å; Q981-R984 WeakPolarHBondContact O-CB 3.45Å; Q981-R984 PolarHBondContact O-N 3.41Å; Q981-R984 VanDerWaalsContact OE1-NE 3.13Å; Q981-N985 PolarHBondContact NE2-OD1 3.05Å; Q981-N985 PolarHBondContact O-N 2.77Å; Q981-N985 PolarHBondContact O-OD1 2.93Å
982	D	91.8	Very high	91	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-32.3	174.5	-73.4	-28.3	0	0	0	112.1	Y922 M978 F986 L1022 K1025 R1029	Y922-D982 PolarHBondContact OH-O 2.69Å; M978-D982 PolarHBondContact O-N 2.89Å; D982-F986 WeakPolarHBondContact O-CB 3.36Å; D982-F986 PolarHBondContact O-N 2.81Å; D982-F986 VanDerWaalsContact O-N 3.12Å; D982-L1022 WeakPolarHBondContact O-CD2 3.41Å; D982-K1025 IonicContact OD1-NZ 3.91Å; D982-K1025 PolarHBondContact OD1-NZ 2.86Å; D982-R1029 VanDerWaalsContact CG-NH1 3.33Å; D982-R1029 IonicContact OD2-CZ 3.93Å; D982-R1029 IonicContact OD2-NH1 3.24Å; D982-R1029 PolarHBondContact OD2-NH1 3.28Å; D982-R1029 IonicContact OD2-NH2 3.15Å
983	Y	94.4	Very high	91.5	Very high	29 Å²	29	44.2 Å²	44.2	11%	0.114	21%	0.206	C	C	.	.	H	α-helix	trans	-74.6	-37.3	172.7	179.7	-112.3	0	0	0	113.2	R915 V919 Y922 W979 H980 Q981 F986 R987	R915-Y983 WeakPolarHBondContact O-CE2 3.45Å; R915-Y983 PolarHBondContact O-OH 2.87Å; V919-Y983 HydrophobicContact CB-CD1 3.9Å; V919-Y983 HydrophobicContact CB-CD2 4.42Å; V919-Y983 HydrophobicContact CB-CE1 3.64Å; V919-Y983 HydrophobicContact CB-CE2 4.18Å; V919-Y983 HydrophobicContact CB-CG 4.27Å; V919-Y983 HydrophobicContact CG2-CD1 3.57Å; V919-Y983 HydrophobicContact CG2-CD2 4.14Å; V919-Y983 HydrophobicContact CG2-CE1 3.88Å; V919-Y983 HydrophobicContact CG2-CE2 4.41Å; V919-Y983 HydrophobicContact CG2-CG 3.7Å; Y922-Y983 AromaticContact CD1-CD2 3.56Å; Y922-Y983 HydrophobicContact CD1-CD2 3.56Å; Y922-Y983 HydrophobicContact CD1-CG 4.14Å; Y922-Y983 HydrophobicContact CD2-CD2 4.33Å; Y922-Y983 HydrophobicContact CE1-CD2 4.15Å; Y922-Y983 AromaticContact CG-CD2 3.67Å; Y922-Y983 HydrophobicContact CG-CD2 3.67Å; Y922-Y983 HydrophobicContact CG-CE2 4.31Å; W979-Y983 PolarHBondContact O-N 2.92Å; W979-Y983 VanDerWaalsContact O-N 3.15Å; H980-Y983 PolarHBondContact O-N 3.18Å; Q981-Y983 PolarHBondContact O-N 3.07Å; Y983-F986 HydrophobicContact CD2-CD1 4.27Å; Y983-F986 HydrophobicContact CE2-CD1 4.35Å; Y983-F986 PolarHBondContact O-N 3.15Å; Y983-R987 HydrophobicContact CE1-CG 4.41Å; Y983-R987 HydrophobicContact CE2-CG 4.33Å; Y983-R987 PolarHBondContact O-N 3.47Å; Y983-R987 VanDerWaalsContact O-N 3.09Å
984	R	92.6	Very high	92	Very high	95 Å²	95	40.5 Å²	40.5	36%	0.358	19%	0.187	S	C	.	.	H	α-helix	trans	-59.6	-51.2	171.5	-71.3	-171.8	-69.5	-108.5	5.7	110.4	E977 H980 Q981 F986 R987 E988	E977-R984 IonicContact OE1-CZ 3.67Å; E977-R984 VanDerWaalsContact OE1-CZ 3.3Å; E977-R984 IonicContact OE1-NH1 3.34Å; E977-R984 PolarHBondContact OE1-NH1 2.67Å; E977-R984 IonicContact OE1-NH2 2.67Å; E977-R984 PolarHBondContact OE1-NH2 3.26Å; H980-R984 WeakPolarHBondContact O-CG 3.5Å; H980-R984 PolarHBondContact O-N 3.42Å; Q981-R984 WeakPolarHBondContact O-CB 3.45Å; Q981-R984 PolarHBondContact O-N 3.41Å; Q981-R984 VanDerWaalsContact OE1-NE 3.13Å; R984-F986 VanDerWaalsContact C-N 3.3Å; R984-F986 PolarHBondContact O-N 2.91Å; R984-R987 PolarHBondContact O-N 3.04Å; R984-R987 VanDerWaalsContact O-N 3.1Å; R984-E988 WeakPolarHBondContact O-CG 3.49Å; R984-E988 PolarHBondContact O-N 2.88Å
985	N	92.1	Very high	92.5	Very high	30 Å²	30	34.5 Å²	34.5	16%	0.16	16%	0.156	C	C	.	.	H	α-helix	trans	-56.4	-41.1	176	-73.2	40.5	0	0	0	112.3	Q981 E988 T989 L1022	Q981-N985 PolarHBondContact NE2-OD1 3.05Å; Q981-N985 PolarHBondContact O-N 2.77Å; Q981-N985 PolarHBondContact O-OD1 2.93Å; N985-E988 PolarHBondContact O-N 2.91Å; N985-T989 VanDerWaalsContact O-CB 3.27Å; N985-T989 WeakPolarHBondContact O-CB 3.48Å; N985-T989 PolarHBondContact O-N 2.95Å; N985-T989 PolarHBondContact O-OG1 3.43Å; N985-L1022 HydrophobicContact CB-CD1 4.48Å; N985-L1022 HydrophobicContact CB-CD2 4.01Å
986	F	94.7	Very high	92.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-44.9	175.5	170.3	-109.6	0	0	0	112.4	R915 L916 Y922 D982 Y983 R984 T989 T990 L1022 R1029 H1031	R915-F986 HydrophobicContact CB-CE1 3.62Å; R915-F986 HydrophobicContact CB-CZ 3.88Å; L916-F986 HydrophobicContact CD2-CD1 4.39Å; L916-F986 HydrophobicContact CD2-CE1 3.59Å; L916-F986 HydrophobicContact CD2-CZ 3.93Å; L916-F986 HydrophobicContact CG-CE1 4.28Å; L916-F986 HydrophobicContact CG-CZ 4.44Å; Y922-F986 AromaticContact CD2-CD1 3.86Å; Y922-F986 HydrophobicContact CD2-CD1 3.86Å; Y922-F986 HydrophobicContact CD2-CE1 4.17Å; Y922-F986 HydrophobicContact CD2-CG 4.12Å; Y922-F986 HydrophobicContact CE2-CB 3.83Å; Y922-F986 AromaticContact CE2-CD1 3.89Å; Y922-F986 HydrophobicContact CE2-CD1 3.89Å; Y922-F986 HydrophobicContact CE2-CD2 4.11Å; Y922-F986 AromaticContact CE2-CG 3.67Å; Y922-F986 HydrophobicContact CE2-CG 3.67Å; D982-F986 WeakPolarHBondContact O-CB 3.36Å; D982-F986 PolarHBondContact O-N 2.81Å; D982-F986 VanDerWaalsContact O-N 3.12Å; Y983-F986 HydrophobicContact CD2-CD1 4.27Å; Y983-F986 HydrophobicContact CE2-CD1 4.35Å; Y983-F986 PolarHBondContact O-N 3.15Å; R984-F986 VanDerWaalsContact C-N 3.3Å; R984-F986 PolarHBondContact O-N 2.91Å; F986-T989 PolarHBondContact O-N 2.96Å; F986-T990 PolarHBondContact O-N 3.29Å; F986-T990 PolarHBondContact O-OG1 2.86Å; F986-L1022 HydrophobicContact CB-CD1 4.11Å; F986-R1029 WeakPolarHBondContact CD2-O 3.44Å; F986-H1031 AromaticContact CE2-CE1 3.46Å; F986-H1031 VanDerWaalsContact CE2-CE1 3.46Å; F986-H1031 WeakPolarHBondContact CE2-CE1 3.43Å; F986-H1031 AromaticContact CE2-NE2 3.37Å; F986-H1031 WeakPolarHBondContact CE2-NE2 3.48Å; F986-H1031 AromaticContact CZ-CE1 3.68Å; F986-H1031 AromaticContact CZ-NE2 3.86Å
987	R	93.9	Very high	93	Very high	66 Å²	66	30.5 Å²	30.5	25%	0.249	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-43.2	175.6	-68.9	-170.7	71.2	-131.3	-2.4	112.2	Y983 R984 T990 V991 L1147	Y983-R987 HydrophobicContact CE1-CG 4.41Å; Y983-R987 HydrophobicContact CE2-CG 4.33Å; Y983-R987 PolarHBondContact O-N 3.47Å; Y983-R987 VanDerWaalsContact O-N 3.09Å; R984-R987 PolarHBondContact O-N 3.04Å; R984-R987 VanDerWaalsContact O-N 3.1Å; R987-T990 WeakPolarHBondContact O-CA 3.45Å; R987-T990 VanDerWaalsContact O-CB 3.29Å; R987-T990 WeakPolarHBondContact O-CB 3.39Å; R987-T990 PolarHBondContact O-N 2.92Å; R987-T990 VanDerWaalsContact O-N 3.13Å; R987-V991 WeakPolarHBondContact O-CG2 3.48Å; R987-V991 PolarHBondContact O-N 2.79Å; R987-L1147 HydrophobicContact CB-CD2 4.5Å
988	E	92.9	Very high	93.3	Very high	73 Å²	73	27.9 Å²	27.9	34%	0.341	13%	0.126	S	C	.	.	H	α-helix	trans	-63.9	-42.3	177.6	-69.9	168.7	-167.8	0	0	112	R984 N985 T990 V991 L992 L1139	R984-E988 WeakPolarHBondContact O-CG 3.49Å; R984-E988 PolarHBondContact O-N 2.88Å; N985-E988 PolarHBondContact O-N 2.91Å; E988-T990 VanDerWaalsContact C-N 3.25Å; E988-T990 PolarHBondContact O-N 3.44Å; E988-V991 PolarHBondContact O-N 3.02Å; E988-V991 VanDerWaalsContact O-N 3.16Å; E988-L992 WeakPolarHBondContact O-CG 3.48Å; E988-L992 PolarHBondContact O-N 3.06Å; E988-L1139 HydrophobicContact CB-CD1 3.97Å; E988-L1139 HydrophobicContact CG-CD1 3.82Å
989	T	93.5	Very high	93.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.6	-39.6	171.3	-58.7	0	0	0	0	111.4	N985 F986 L992 M993 Y1018 N1019 L1022	N985-T989 VanDerWaalsContact O-CB 3.27Å; N985-T989 WeakPolarHBondContact O-CB 3.48Å; N985-T989 PolarHBondContact O-N 2.95Å; N985-T989 PolarHBondContact O-OG1 3.43Å; F986-T989 PolarHBondContact O-N 2.96Å; T989-L992 PolarHBondContact O-N 3.34Å; T989-M993 WeakPolarHBondContact O-CB 3.44Å; T989-M993 PolarHBondContact O-N 2.31Å; T989-Y1018 VanDerWaalsContact OG1-CB 3.31Å; T989-Y1018 WeakPolarHBondContact OG1-CB 3.43Å; T989-N1019 HydrophobicContact CG2-CB 3.69Å; T989-L1022 HydrophobicContact CG2-CD1 4.43Å; T989-L1022 WeakPolarHBondContact OG1-CD1 3.44Å
990	T	94.3	Very high	93.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66	-43.8	175.6	-46.9	0	0	0	0	111.6	L916 F986 R987 E988 L992 M993 V994 H1031 L1147 F1151	L916-T990 HydrophobicContact CD1-CG2 3.98Å; L916-T990 HydrophobicContact CD2-CG2 3.78Å; L916-T990 WeakPolarHBondContact CD2-OG1 3.07Å; F986-T990 PolarHBondContact O-N 3.29Å; F986-T990 PolarHBondContact O-OG1 2.86Å; R987-T990 WeakPolarHBondContact O-CA 3.45Å; R987-T990 VanDerWaalsContact O-CB 3.29Å; R987-T990 WeakPolarHBondContact O-CB 3.39Å; R987-T990 PolarHBondContact O-N 2.92Å; R987-T990 VanDerWaalsContact O-N 3.13Å; E988-T990 VanDerWaalsContact C-N 3.25Å; E988-T990 PolarHBondContact O-N 3.44Å; T990-L992 PolarHBondContact O-N 3.17Å; T990-M993 PolarHBondContact O-N 3.44Å; T990-V994 HydrophobicContact CG2-CG2 4.15Å; T990-V994 WeakPolarHBondContact O-CB 3.38Å; T990-V994 VanDerWaalsContact O-CG2 3.27Å; T990-V994 WeakPolarHBondContact O-CG2 3.47Å; T990-V994 PolarHBondContact O-N 2.75Å; T990-H1031 PolarHBondContact OG1-NE2 3.3Å; T990-L1147 HydrophobicContact CG2-CD1 3.92Å; T990-L1147 HydrophobicContact CG2-CG 4.47Å; T990-F1151 HydrophobicContact CG2-CD2 3.74Å; T990-F1151 HydrophobicContact CG2-CE2 4.35Å
991	V	94.7	Very high	93.2	Very high	14 Å²	14	28 Å²	28	9%	0.085	13%	0.126	C	C	.	.	H	α-helix	trans	-59.8	-45.1	176	172.1	0	0	0	0	110.9	R987 E988 T995 L1139 Y1142 L1147	R987-V991 WeakPolarHBondContact O-CG2 3.48Å; R987-V991 PolarHBondContact O-N 2.79Å; E988-V991 PolarHBondContact O-N 3.02Å; E988-V991 VanDerWaalsContact O-N 3.16Å; V991-T995 VanDerWaalsContact O-CB 3.27Å; V991-T995 WeakPolarHBondContact O-CB 3.25Å; V991-T995 PolarHBondContact O-N 3.31Å; V991-T995 PolarHBondContact O-OG1 3.06Å; V991-L1139 HydrophobicContact CG1-CB 4.36Å; V991-L1139 HydrophobicContact CG1-CD2 4.28Å; V991-Y1142 HydrophobicContact CG1-CD2 4.21Å; V991-Y1142 HydrophobicContact CG1-CE2 3.99Å; V991-Y1142 HydrophobicContact CG2-CD2 4.04Å; V991-L1147 HydrophobicContact CG2-CD1 3.91Å; V991-L1147 HydrophobicContact CG2-CD2 4.47Å
992	L	93.8	Very high	93.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.8	-50.4	175	-69.1	165	0	0	0	111.4	E988 T989 T990 T995 G996 Y1011 Y1018 P1137 L1139	E988-L992 WeakPolarHBondContact O-CG 3.48Å; E988-L992 PolarHBondContact O-N 3.06Å; T989-L992 PolarHBondContact O-N 3.34Å; T990-L992 PolarHBondContact O-N 3.17Å; L992-T995 PolarHBondContact O-N 2.86Å; L992-G996 PolarHBondContact O-N 3.46Å; L992-Y1011 HydrophobicContact CD2-CD1 3.85Å; L992-Y1011 HydrophobicContact CD2-CE1 4.5Å; L992-Y1018 HydrophobicContact CD1-CD2 3.58Å; L992-Y1018 HydrophobicContact CD1-CE2 3.91Å; L992-P1137 HydrophobicContact CD2-CG 3.85Å; L992-L1139 HydrophobicContact CD1-CD2 4.37Å; L992-L1139 HydrophobicContact CD2-CD2 3.35Å; L992-L1139 HydrophobicContact CG-CD2 3.55Å
993	M	93.9	Very high	93	Very high	4 Å²	4	33 Å²	33	2%	0.02	16%	0.155	C	C	.	.	H	α-helix	trans	-59.2	-53.1	-179.7	175.8	170.2	77.2	0	0	112	T989 T990 T995 G996 L997 H1031 L1036 F1151	T989-M993 WeakPolarHBondContact O-CB 3.44Å; T989-M993 PolarHBondContact O-N 2.31Å; T990-M993 PolarHBondContact O-N 3.44Å; M993-T995 VanDerWaalsContact C-N 3.33Å; M993-T995 PolarHBondContact O-N 3.29Å; M993-G996 PolarHBondContact O-N 2.97Å; M993-L997 HydrophobicContact CG-CD1 3.65Å; M993-L997 HydrophobicContact CG-CG 4.33Å; M993-L997 WeakPolarHBondContact O-CB 3.34Å; M993-L997 VanDerWaalsContact O-CG 3.28Å; M993-L997 WeakPolarHBondContact O-CG 3.21Å; M993-L997 PolarHBondContact O-N 3.38Å; M993-L997 HydrophobicContact SD-CD1 4.45Å; M993-H1031 HydrophobicContact CE-CB 3.99Å; M993-H1031 VanDerWaalsContact CE-CG 3.47Å; M993-H1031 HydrophobicContact SD-CB 3.96Å; M993-L1036 HydrophobicContact CB-CD2 4.03Å; M993-L1036 HydrophobicContact CG-CD2 3.59Å; M993-L1036 HydrophobicContact CG-CG 4.5Å; M993-L1036 HydrophobicContact SD-CD1 4.21Å; M993-L1036 HydrophobicContact SD-CD2 3.7Å; M993-L1036 HydrophobicContact SD-CG 3.97Å; M993-F1151 HydrophobicContact CE-CD2 4.11Å; M993-F1151 HydrophobicContact CE-CE2 3.69Å
994	V	94.6	Very high	92.8	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-44	-178.2	172.2	0	0	0	0	110.7	T990 E998 R1150 F1151 I1154	T990-V994 HydrophobicContact CG2-CG2 4.15Å; T990-V994 WeakPolarHBondContact O-CB 3.38Å; T990-V994 VanDerWaalsContact O-CG2 3.27Å; T990-V994 WeakPolarHBondContact O-CG2 3.47Å; T990-V994 PolarHBondContact O-N 2.75Å; V994-E998 VanDerWaalsContact O-CB 3.3Å; V994-E998 WeakPolarHBondContact O-CB 3.44Å; V994-E998 WeakPolarHBondContact O-CG 3.38Å; V994-E998 PolarHBondContact O-N 3.43Å; V994-R1150 HydrophobicContact CG1-CB 3.76Å; V994-F1151 HydrophobicContact CG2-CB 4.23Å; V994-F1151 HydrophobicContact CG2-CD2 4.29Å; V994-I1154 HydrophobicContact CB-CG2 4.35Å; V994-I1154 HydrophobicContact CG1-CG2 4.15Å; V994-I1154 HydrophobicContact CG2-CG2 3.96Å
995	T	94.3	Very high	92.7	Very high	12 Å²	12	30.9 Å²	30.9	7%	0.074	15%	0.151	C	C	.	.	H	α-helix	trans	-65.4	-44.4	178.8	-53.1	0	0	0	0	111.7	V991 L992 M993 E998 L999 Y1011 Y1142	V991-T995 VanDerWaalsContact O-CB 3.27Å; V991-T995 WeakPolarHBondContact O-CB 3.25Å; V991-T995 PolarHBondContact O-N 3.31Å; V991-T995 PolarHBondContact O-OG1 3.06Å; L992-T995 PolarHBondContact O-N 2.86Å; M993-T995 VanDerWaalsContact C-N 3.33Å; M993-T995 PolarHBondContact O-N 3.29Å; T995-E998 PolarHBondContact O-N 2.78Å; T995-L999 HydrophobicContact CG2-CD1 4.06Å; T995-L999 VanDerWaalsContact O-CG 3.3Å; T995-L999 WeakPolarHBondContact O-CG 3.4Å; T995-L999 PolarHBondContact O-N 3.05Å; T995-Y1011 HydrophobicContact CG2-CD1 3.88Å; T995-Y1011 HydrophobicContact CG2-CD2 4.15Å; T995-Y1011 HydrophobicContact CG2-CE1 3.77Å; T995-Y1011 HydrophobicContact CG2-CE2 4.04Å; T995-Y1011 HydrophobicContact CG2-CG 4.09Å; T995-Y1142 PolarHBondContact OG1-OH 3.2Å
996	G	93.4	Very high	92.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-45.9	178.4	0	0	0	0	0	113	L992 M993 L999 F1000	L992-G996 PolarHBondContact O-N 3.46Å; M993-G996 PolarHBondContact O-N 2.97Å; G996-L999 PolarHBondContact O-N 3.3Å; G996-F1000 WeakPolarHBondContact O-CB 3.06Å; G996-F1000 PolarHBondContact O-N 3Å
997	L	92.8	Very high	92.2	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-66.5	-39.6	177.6	-67.3	173.5	0	0	0	112.2	M993 L999 F1000 Q1001 L1012 H1039 I1154	M993-L997 HydrophobicContact CG-CD1 3.65Å; M993-L997 HydrophobicContact CG-CG 4.33Å; M993-L997 WeakPolarHBondContact O-CB 3.34Å; M993-L997 VanDerWaalsContact O-CG 3.28Å; M993-L997 WeakPolarHBondContact O-CG 3.21Å; M993-L997 PolarHBondContact O-N 3.38Å; M993-L997 HydrophobicContact SD-CD1 4.45Å; L997-L999 VanDerWaalsContact C-N 3.33Å; L997-L999 PolarHBondContact O-N 3.37Å; L997-F1000 PolarHBondContact O-N 2.87Å; L997-Q1001 WeakPolarHBondContact O-CG 3.43Å; L997-Q1001 PolarHBondContact O-N 3.49Å; L997-L1012 HydrophobicContact CD2-CD2 4.06Å; L997-L1012 HydrophobicContact CG-CD2 4.24Å; L997-H1039 HydrophobicContact CD2-CB 3.67Å; L997-H1039 WeakPolarHBondContact CD2-CD2 3.29Å; L997-I1154 HydrophobicContact CB-CD1 4.05Å; L997-I1154 HydrophobicContact CB-CG1 3.52Å; L997-I1154 HydrophobicContact CD1-CG1 4.35Å
998	E	93.5	Very high	92.1	Very high	29 Å²	29	34.7 Å²	34.7	14%	0.136	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-37.4	173.3	-89.4	-165.4	-133.4	0	0	113.1	V994 T995 K1002 R1150 I1154	V994-E998 VanDerWaalsContact O-CB 3.3Å; V994-E998 WeakPolarHBondContact O-CB 3.44Å; V994-E998 WeakPolarHBondContact O-CG 3.38Å; V994-E998 PolarHBondContact O-N 3.43Å; T995-E998 PolarHBondContact O-N 2.78Å; E998-K1002 WeakPolarHBondContact O-CD 3.39Å; E998-K1002 VanDerWaalsContact O-CE 3.26Å; E998-K1002 WeakPolarHBondContact O-CE 3.3Å; E998-K1002 WeakPolarHBondContact O-CG 3.48Å; E998-K1002 PolarHBondContact O-N 3.19Å; E998-K1002 IonicContact OE2-NZ 2.6Å; E998-K1002 PolarHBondContact OE2-NZ 3Å; E998-R1150 VanDerWaalsContact CD-NH2 3.3Å; E998-R1150 IonicContact OE1-CZ 3.44Å; E998-R1150 VanDerWaalsContact OE1-CZ 3.25Å; E998-R1150 IonicContact OE1-NE 3.95Å; E998-R1150 PolarHBondContact OE1-NE 3.21Å; E998-R1150 IonicContact OE1-NH2 2.86Å; E998-R1150 PolarHBondContact OE1-NH2 3.28Å; E998-R1150 IonicContact OE2-NH2 2.81Å; E998-R1150 PolarHBondContact OE2-NH2 2.86Å; E998-I1154 HydrophobicContact CG-CD1 3.97Å; E998-I1154 HydrophobicContact CG-CG1 4.4Å
999	L	92.1	Very high	92	Very high	24 Å²	24	31.2 Å²	31.2	13%	0.126	16%	0.159	C	C	.	.	H	α-helix	trans	-74.3	-38.3	177	-71.6	166.3	0	0	0	111.5	T995 G996 L997 K1002 S1003 N1004 E1007 A1008 Y1011	T995-L999 HydrophobicContact CG2-CD1 4.06Å; T995-L999 VanDerWaalsContact O-CG 3.3Å; T995-L999 WeakPolarHBondContact O-CG 3.4Å; T995-L999 PolarHBondContact O-N 3.05Å; G996-L999 PolarHBondContact O-N 3.3Å; L997-L999 VanDerWaalsContact C-N 3.33Å; L997-L999 PolarHBondContact O-N 3.37Å; L999-K1002 CarbonylContact O-C 3.59Å; L999-K1002 PolarHBondContact O-N 3.26Å; L999-K1002 VanDerWaalsContact O-N 3.12Å; L999-S1003 PolarHBondContact O-N 2.69Å; L999-N1004 HydrophobicContact CD2-CB 4.42Å; L999-N1004 PolarHBondContact O-N 2.87Å; L999-E1007 HydrophobicContact CD1-CB 4.04Å; L999-A1008 HydrophobicContact CB-CB 3.64Å; L999-Y1011 HydrophobicContact CD1-CD2 3.68Å; L999-Y1011 HydrophobicContact CD1-CE2 3.79Å
1000	F	91.8	Very high	91.8	Very high	30 Å²	30	32.9 Å²	32.9	13%	0.132	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-46.2	174.5	-179	-89.7	0	0	0	111.7	G996 L997 K1002 S1003 Y1005 A1008 L1012 H1039 E1042 C1043	G996-F1000 WeakPolarHBondContact O-CB 3.06Å; G996-F1000 PolarHBondContact O-N 3Å; L997-F1000 PolarHBondContact O-N 2.87Å; F1000-K1002 PolarHBondContact O-N 3.08Å; F1000-S1003 PolarHBondContact O-N 3.2Å; F1000-Y1005 AromaticContact CD2-CD1 3.7Å; F1000-Y1005 HydrophobicContact CD2-CD1 3.7Å; F1000-Y1005 AromaticContact CD2-CE1 3.72Å; F1000-Y1005 HydrophobicContact CD2-CE1 3.72Å; F1000-Y1005 AromaticContact CE2-CD1 3.97Å; F1000-Y1005 HydrophobicContact CE2-CD1 3.97Å; F1000-Y1005 AromaticContact CE2-CE1 3.73Å; F1000-Y1005 HydrophobicContact CE2-CE1 3.73Å; F1000-Y1005 HydrophobicContact CG-CD1 4.46Å; F1000-Y1005 HydrophobicContact CG-CE1 4.26Å; F1000-Y1005 HydrophobicContact CZ-CE1 4.3Å; F1000-A1008 HydrophobicContact CB-CB 4.24Å; F1000-L1012 HydrophobicContact CD2-CD1 4.39Å; F1000-H1039 AromaticContact CD1-ND1 3.7Å; F1000-H1039 AromaticContact CE1-CE1 3.98Å; F1000-H1039 AromaticContact CE1-ND1 3.48Å; F1000-H1039 WeakPolarHBondContact CE1-ND1 3.14Å; F1000-H1039 AromaticContact CZ-ND1 3.92Å; F1000-E1042 HydrophobicContact CE2-CB 3.8Å; F1000-E1042 HydrophobicContact CZ-CB 3.71Å; F1000-C1043 HydrophobicContact CD2-CB 4.03Å; F1000-C1043 HydrophobicContact CE2-CB 4.18Å
1001	Q	88.9	Confident	91.7	Very high	97 Å²	97	34.7 Å²	34.7	45%	0.453	17%	0.174	S	C	.	.	H	α-helix	trans	-63.5	-25.5	174.9	-73.6	-174.5	-3.5	0	0	113.7	L997 S1003 I1154 A1157	L997-Q1001 WeakPolarHBondContact O-CG 3.43Å; L997-Q1001 PolarHBondContact O-N 3.49Å; Q1001-S1003 PolarHBondContact O-N 3.12Å; Q1001-I1154 VanDerWaalsContact CD-CD1 3.45Å; Q1001-I1154 HydrophobicContact CG-CD1 4.32Å; Q1001-I1154 VanDerWaalsContact OE1-CD1 3.31Å; Q1001-A1157 VanDerWaalsContact NE2-CB 3.34Å
1002	K	90.4	Very high	91.6	Very high	115 Å²	115	34 Å²	34	50%	0.5	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	10.7	174.8	-64.7	161.5	-162	159.2	0	112.6	E998 L999 F1000 N1004	E998-K1002 WeakPolarHBondContact O-CD 3.39Å; E998-K1002 VanDerWaalsContact O-CE 3.26Å; E998-K1002 WeakPolarHBondContact O-CE 3.3Å; E998-K1002 WeakPolarHBondContact O-CG 3.48Å; E998-K1002 PolarHBondContact O-N 3.19Å; E998-K1002 IonicContact OE2-NZ 2.6Å; E998-K1002 PolarHBondContact OE2-NZ 3Å; L999-K1002 CarbonylContact O-C 3.59Å; L999-K1002 PolarHBondContact O-N 3.26Å; L999-K1002 VanDerWaalsContact O-N 3.12Å; F1000-K1002 PolarHBondContact O-N 3.08Å; K1002-N1004 PolarHBondContact O-N 2.77Å; K1002-N1004 VanDerWaalsContact O-N 3.16Å
1003	S	89.5	Confident	91.3	Very high	71 Å²	71	34.3 Å²	34.3	50%	0.497	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	22.6	-175.2	-53.3	0	0	0	0	114.6	L999 F1000 Q1001 Y1005	L999-S1003 PolarHBondContact O-N 2.69Å; F1000-S1003 PolarHBondContact O-N 3.2Å; Q1001-S1003 PolarHBondContact O-N 3.12Å; S1003-Y1005 VanDerWaalsContact C-N 3.34Å; S1003-Y1005 WeakPolarHBondContact O-CD2 3.34Å; S1003-Y1005 PolarHBondContact O-N 3.01Å
1004	N	91.1	Very high	91.1	Very high	52 Å²	52	34.7 Å²	34.7	28%	0.278	17%	0.173	S	C	.	.			trans	-96.4	62.3	-178.7	-173.1	5.8	0	0	0	110.1	L999 K1002 V1006 E1007 A1008	L999-N1004 HydrophobicContact CD2-CB 4.42Å; L999-N1004 PolarHBondContact O-N 2.87Å; K1002-N1004 PolarHBondContact O-N 2.77Å; K1002-N1004 VanDerWaalsContact O-N 3.16Å; N1004-V1006 VanDerWaalsContact C-N 3.29Å; N1004-V1006 PolarHBondContact O-N 2.74Å; N1004-E1007 PolarHBondContact ND2-OE2 3.1Å; N1004-E1007 PolarHBondContact O-N 2.57Å; N1004-A1008 WeakPolarHBondContact O-CB 3.44Å; N1004-A1008 PolarHBondContact O-N 2.83Å
1005	Y	91.6	Very high	91	Very high	29 Å²	29	34.7 Å²	34.7	11%	0.114	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-31.7	-169.1	-52.3	-64.7	0	0	0	113.2	F1000 S1003 E1007 A1008 L1009 C1043 K1046	F1000-Y1005 AromaticContact CD2-CD1 3.7Å; F1000-Y1005 HydrophobicContact CD2-CD1 3.7Å; F1000-Y1005 AromaticContact CD2-CE1 3.72Å; F1000-Y1005 HydrophobicContact CD2-CE1 3.72Å; F1000-Y1005 AromaticContact CE2-CD1 3.97Å; F1000-Y1005 HydrophobicContact CE2-CD1 3.97Å; F1000-Y1005 AromaticContact CE2-CE1 3.73Å; F1000-Y1005 HydrophobicContact CE2-CE1 3.73Å; F1000-Y1005 HydrophobicContact CG-CD1 4.46Å; F1000-Y1005 HydrophobicContact CG-CE1 4.26Å; F1000-Y1005 HydrophobicContact CZ-CE1 4.3Å; S1003-Y1005 VanDerWaalsContact C-N 3.34Å; S1003-Y1005 WeakPolarHBondContact O-CD2 3.34Å; S1003-Y1005 PolarHBondContact O-N 3.01Å; Y1005-E1007 PolarHBondContact O-N 3.41Å; Y1005-A1008 PolarHBondContact O-N 3.03Å; Y1005-L1009 WeakPolarHBondContact O-CB 3.36Å; Y1005-L1009 PolarHBondContact O-N 3.5Å; Y1005-C1043 PolarHBondContact O-SG 2.82Å; Y1005-K1046 HydrophobicContact CD1-CB 4.13Å; Y1005-K1046 HydrophobicContact CD2-CB 3.91Å; Y1005-K1046 HydrophobicContact CE1-CB 4.05Å; Y1005-K1046 HydrophobicContact CE1-CG 4.26Å; Y1005-K1046 HydrophobicContact CE2-CB 3.82Å; Y1005-K1046 HydrophobicContact CE2-CG 4.45Å; Y1005-K1046 HydrophobicContact CG-CB 4.06Å
1006	V	87.9	Confident	90.8	Very high	65 Å²	65	34.9 Å²	34.9	39%	0.394	17%	0.172	S	C	.	.	H	α-helix	trans	-58.3	-49.3	178.3	169.9	0	0	0	0	111.4	N1004 L1047 L1073	N1004-V1006 VanDerWaalsContact C-N 3.29Å; N1004-V1006 PolarHBondContact O-N 2.74Å; V1006-L1047 HydrophobicContact CB-CD2 4.46Å; V1006-L1047 HydrophobicContact CG2-CD2 3.58Å; V1006-L1073 HydrophobicContact CB-CD1 4.46Å; V1006-L1073 HydrophobicContact CG1-CD1 3.85Å; V1006-L1073 HydrophobicContact CG2-CD1 4.32Å
1007	E	87.2	Confident	90.6	Very high	111 Å²	111	37.6 Å²	37.6	52%	0.519	19%	0.185	S	C	.	.	H	α-helix	trans	-76.1	-38.6	176.7	-66.1	-179.3	166.9	0	0	111.1	L999 N1004 Y1005 L1009 Y1011	L999-E1007 HydrophobicContact CD1-CB 4.04Å; N1004-E1007 PolarHBondContact ND2-OE2 3.1Å; N1004-E1007 PolarHBondContact O-N 2.57Å; Y1005-E1007 PolarHBondContact O-N 3.41Å; E1007-L1009 PolarHBondContact O-N 2.8Å; E1007-Y1011 VanDerWaalsContact O-CD2 3.3Å; E1007-Y1011 WeakPolarHBondContact O-CD2 3.17Å
1008	A	92.3	Very high	90.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-38.9	-178.3	0	0	0	0	0	113.7	L999 F1000 N1004 Y1005 M1010 Y1011 L1012	L999-A1008 HydrophobicContact CB-CB 3.64Å; F1000-A1008 HydrophobicContact CB-CB 4.24Å; N1004-A1008 WeakPolarHBondContact O-CB 3.44Å; N1004-A1008 PolarHBondContact O-N 2.83Å; Y1005-A1008 PolarHBondContact O-N 3.03Å; A1008-M1010 VanDerWaalsContact C-N 3.32Å; A1008-M1010 PolarHBondContact O-N 3.1Å; A1008-Y1011 PolarHBondContact O-N 3.32Å; A1008-L1012 HydrophobicContact CB-CD1 4.43Å; A1008-L1012 WeakPolarHBondContact O-CG 3.12Å; A1008-L1012 PolarHBondContact O-N 2.72Å
1009	L	90.8	Very high	90.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-53.4	-46.6	-174	177.9	62.2	0	0	0	112.5	Y1005 E1007 L1012 I1013 C1043 L1044 L1047 L1073	Y1005-L1009 WeakPolarHBondContact O-CB 3.36Å; Y1005-L1009 PolarHBondContact O-N 3.5Å; E1007-L1009 PolarHBondContact O-N 2.8Å; L1009-L1012 PolarHBondContact O-N 2.9Å; L1009-I1013 HydrophobicContact CD1-CD1 3.73Å; L1009-I1013 HydrophobicContact CD1-CG1 4.11Å; L1009-I1013 HydrophobicContact CD2-CD1 4.5Å; L1009-I1013 HydrophobicContact CG-CD1 3.86Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.33Å; L1009-I1013 PolarHBondContact O-N 2.95Å; L1009-C1043 HydrophobicContact CD1-CB 4.36Å; L1009-L1044 HydrophobicContact CD1-CD1 4.35Å; L1009-L1044 HydrophobicContact CD1-CD2 3.66Å; L1009-L1044 HydrophobicContact CD1-CG 3.63Å; L1009-L1044 HydrophobicContact CD2-CD2 3.75Å; L1009-L1044 HydrophobicContact CG-CD2 4.37Å; L1009-L1047 HydrophobicContact CB-CD1 4.04Å; L1009-L1047 HydrophobicContact CD2-CD1 3.7Å; L1009-L1047 HydrophobicContact CG-CD1 4.35Å; L1009-L1073 HydrophobicContact CD2-CB 4.25Å
1010	M	89.1	Confident	90.4	Very high	35 Å²	35	42 Å²	42	17%	0.172	20%	0.199	C	C	.	.	H	α-helix	trans	-68.6	-43	-174.5	-153.2	56.9	58.1	0	0	111.5	A1008 L1012 I1013 Y1014 F1133 P1137	A1008-M1010 VanDerWaalsContact C-N 3.32Å; A1008-M1010 PolarHBondContact O-N 3.1Å; M1010-L1012 VanDerWaalsContact C-N 3.32Å; M1010-L1012 PolarHBondContact O-N 3.01Å; M1010-I1013 PolarHBondContact O-N 3.13Å; M1010-Y1014 HydrophobicContact CG-CD2 4.06Å; M1010-Y1014 HydrophobicContact CG-CE2 3.96Å; M1010-Y1014 WeakPolarHBondContact O-CD2 3.31Å; M1010-Y1014 PolarHBondContact O-N 3.5Å; M1010-Y1014 VanDerWaalsContact O-N 3.1Å; M1010-Y1014 HydrophobicContact SD-CD2 4.2Å; M1010-Y1014 HydrophobicContact SD-CE2 3.79Å; M1010-F1133 HydrophobicContact CE-CD1 3.74Å; M1010-F1133 HydrophobicContact CE-CE1 3.48Å; M1010-F1133 VanDerWaalsContact CE-CE1 3.48Å; M1010-F1133 HydrophobicContact CE-CG 4.46Å; M1010-F1133 HydrophobicContact CE-CZ 4Å; M1010-F1133 HydrophobicContact SD-CD1 3.89Å; M1010-F1133 HydrophobicContact SD-CE1 4.2Å; M1010-F1133 HydrophobicContact SD-CG 4.11Å; M1010-P1137 HydrophobicContact CB-CG 4.48Å; M1010-P1137 HydrophobicContact CG-CB 4.41Å; M1010-P1137 HydrophobicContact CG-CG 4.28Å
1011	Y	92.4	Very high	90.3	Very high	38 Å²	38	45.4 Å²	45.4	15%	0.149	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-41.9	173.7	-71	-78.5	0	0	0	111.9	L992 T995 L999 E1007 A1008 S1015 P1137 K1138	L992-Y1011 HydrophobicContact CD2-CD1 3.85Å; L992-Y1011 HydrophobicContact CD2-CE1 4.5Å; T995-Y1011 HydrophobicContact CG2-CD1 3.88Å; T995-Y1011 HydrophobicContact CG2-CD2 4.15Å; T995-Y1011 HydrophobicContact CG2-CE1 3.77Å; T995-Y1011 HydrophobicContact CG2-CE2 4.04Å; T995-Y1011 HydrophobicContact CG2-CG 4.09Å; L999-Y1011 HydrophobicContact CD1-CD2 3.68Å; L999-Y1011 HydrophobicContact CD1-CE2 3.79Å; E1007-Y1011 VanDerWaalsContact O-CD2 3.3Å; E1007-Y1011 WeakPolarHBondContact O-CD2 3.17Å; A1008-Y1011 PolarHBondContact O-N 3.32Å; Y1011-S1015 VanDerWaalsContact O-CB 3.25Å; Y1011-S1015 WeakPolarHBondContact O-CB 3.34Å; Y1011-S1015 PolarHBondContact O-N 3.28Å; Y1011-S1015 PolarHBondContact O-OG 3.19Å; Y1011-P1137 HydrophobicContact CD1-CB 4.08Å; Y1011-P1137 HydrophobicContact CD1-CG 3.78Å; Y1011-P1137 HydrophobicContact CE1-CB 3.75Å; Y1011-P1137 HydrophobicContact CE1-CG 3.92Å; Y1011-P1137 HydrophobicContact CE2-CB 4.23Å; Y1011-P1137 HydrophobicContact CG-CB 4.44Å; Y1011-P1137 HydrophobicContact CG-CG 4.18Å; Y1011-K1138 PolarHBondContact OH-O 3.12Å
1012	L	91.8	Very high	90.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-41	178.3	-70.2	173.3	0	0	0	112.4	L997 F1000 A1008 L1009 M1010 S1015 Y1016 H1039 C1043	L997-L1012 HydrophobicContact CD2-CD2 4.06Å; L997-L1012 HydrophobicContact CG-CD2 4.24Å; F1000-L1012 HydrophobicContact CD2-CD1 4.39Å; A1008-L1012 HydrophobicContact CB-CD1 4.43Å; A1008-L1012 WeakPolarHBondContact O-CG 3.12Å; A1008-L1012 PolarHBondContact O-N 2.72Å; L1009-L1012 PolarHBondContact O-N 2.9Å; M1010-L1012 VanDerWaalsContact C-N 3.32Å; M1010-L1012 PolarHBondContact O-N 3.01Å; L1012-S1015 WeakPolarHBondContact CA-OG 3.33Å; L1012-S1015 PolarHBondContact O-OG 2.97Å; L1012-Y1016 PolarHBondContact O-N 3.11Å; L1012-H1039 HydrophobicContact CD1-CB 4.28Å; L1012-H1039 HydrophobicContact CD2-CB 4.21Å; L1012-C1043 HydrophobicContact CD1-CB 3.89Å
1013	I	88.8	Confident	90.4	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-51.4	176.8	-71.7	172.5	0	0	0	111.8	L1009 M1010 S1015 Y1016 Q1017 R1040 C1077 L1080	L1009-I1013 HydrophobicContact CD1-CD1 3.73Å; L1009-I1013 HydrophobicContact CD1-CG1 4.11Å; L1009-I1013 HydrophobicContact CD2-CD1 4.5Å; L1009-I1013 HydrophobicContact CG-CD1 3.86Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.33Å; L1009-I1013 PolarHBondContact O-N 2.95Å; M1010-I1013 PolarHBondContact O-N 3.13Å; I1013-S1015 PolarHBondContact O-N 3.12Å; I1013-Y1016 PolarHBondContact O-N 2.98Å; I1013-Q1017 WeakPolarHBondContact O-CG 3.45Å; I1013-Q1017 PolarHBondContact O-N 3.35Å; I1013-R1040 HydrophobicContact CG1-CG 4.14Å; I1013-C1077 HydrophobicContact CD1-CB 3.89Å; I1013-C1077 WeakPolarHBondContact CD1-SG 3.28Å; I1013-L1080 HydrophobicContact CG2-CD1 4.28Å
1014	Y	89.4	Confident	90.4	Very high	13 Å²	13	40.3 Å²	40.3	5%	0.051	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-36.4	179.7	-79.7	-84.5	0	0	0	112.1	M1010 Y1016 Q1017 Y1018 F1133 D1135 P1136 P1137	M1010-Y1014 HydrophobicContact CG-CD2 4.06Å; M1010-Y1014 HydrophobicContact CG-CE2 3.96Å; M1010-Y1014 WeakPolarHBondContact O-CD2 3.31Å; M1010-Y1014 PolarHBondContact O-N 3.5Å; M1010-Y1014 VanDerWaalsContact O-N 3.1Å; M1010-Y1014 HydrophobicContact SD-CD2 4.2Å; M1010-Y1014 HydrophobicContact SD-CE2 3.79Å; Y1014-Y1016 VanDerWaalsContact C-N 3.34Å; Y1014-Y1016 PolarHBondContact O-N 3.38Å; Y1014-Q1017 PolarHBondContact O-N 2.96Å; Y1014-Y1018 HydrophobicContact CD1-CE1 4.24Å; Y1014-Y1018 PolarHBondContact O-N 2.69Å; Y1014-F1133 HydrophobicContact CE2-CB 4.34Å; Y1014-F1133 VanDerWaalsContact OH-C 3.3Å; Y1014-F1133 WeakPolarHBondContact OH-CB 3.29Å; Y1014-F1133 PolarHBondContact OH-O 3.49Å; Y1014-D1135 PolarHBondContact OH-O 3.39Å; Y1014-P1136 HydrophobicContact CD1-CB 3.9Å; Y1014-P1136 HydrophobicContact CE1-CB 3.85Å; Y1014-P1136 HydrophobicContact CG-CB 4.28Å; Y1014-P1137 HydrophobicContact CD2-CG 4.17Å
1015	S	92.6	Very high	90.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-44.7	173.1	70.4	0	0	0	0	111.4	Y1011 L1012 I1013 N1019 L1036	Y1011-S1015 VanDerWaalsContact O-CB 3.25Å; Y1011-S1015 WeakPolarHBondContact O-CB 3.34Å; Y1011-S1015 PolarHBondContact O-N 3.28Å; Y1011-S1015 PolarHBondContact O-OG 3.19Å; L1012-S1015 WeakPolarHBondContact CA-OG 3.33Å; L1012-S1015 PolarHBondContact O-OG 2.97Å; I1013-S1015 PolarHBondContact O-N 3.12Å; S1015-N1019 WeakPolarHBondContact O-CB 3.42Å; S1015-N1019 PolarHBondContact O-N 2.97Å; S1015-L1036 WeakPolarHBondContact OG-CD2 2.91Å
1016	Y	90.4	Very high	90	Very high	15 Å²	15	42.5 Å²	42.5	6%	0.059	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-47.5	176.6	-169.3	-70.4	0	0	0	111.5	L1012 I1013 Y1014 N1019 R1020 E1033 L1036 G1037 R1040	L1012-Y1016 PolarHBondContact O-N 3.11Å; I1013-Y1016 PolarHBondContact O-N 2.98Å; Y1014-Y1016 VanDerWaalsContact C-N 3.34Å; Y1014-Y1016 PolarHBondContact O-N 3.38Å; Y1016-N1019 PolarHBondContact O-N 3.32Å; Y1016-R1020 WeakPolarHBondContact O-CB 3.41Å; Y1016-R1020 PolarHBondContact O-N 3.25Å; Y1016-E1033 HydrophobicContact CE1-CG 4.26Å; Y1016-E1033 HydrophobicContact CE2-CG 3.81Å; Y1016-E1033 VanDerWaalsContact CZ-CG 3.5Å; Y1016-E1033 VanDerWaalsContact CZ-OE1 3.3Å; Y1016-E1033 VanDerWaalsContact OH-CD 3.26Å; Y1016-E1033 WeakPolarHBondContact OH-CG 3.32Å; Y1016-E1033 PolarHBondContact OH-OE1 3.08Å; Y1016-L1036 HydrophobicContact CD2-CB 3.92Å; Y1016-G1037 VanDerWaalsContact CE2-CA 3.43Å; Y1016-R1040 VanDerWaalsContact CE1-NH1 3.28Å; Y1016-R1040 VanDerWaalsContact CG-NH1 3.31Å
1017	Q	88.5	Confident	89.8	Confident	57 Å²	57	46.2 Å²	46.2	27%	0.266	22%	0.222	S	C	.	.	H	α-helix	trans	-61.1	-51.9	-176.9	-72.9	176	-2.4	0	0	111.7	I1013 Y1014 N1019 R1020 E1021	I1013-Q1017 WeakPolarHBondContact O-CG 3.45Å; I1013-Q1017 PolarHBondContact O-N 3.35Å; Y1014-Q1017 PolarHBondContact O-N 2.96Å; Q1017-N1019 VanDerWaalsContact C-N 3.33Å; Q1017-N1019 PolarHBondContact O-N 3.12Å; Q1017-R1020 PolarHBondContact O-N 3.21Å; Q1017-E1021 PolarHBondContact O-N 2.94Å
1018	Y	91	Very high	89.7	Confident	58 Å²	58	48.1 Å²	48.1	23%	0.227	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-33.5	179.2	-64.3	-8	0	0	0	112.1	T989 L992 Y1014 R1020 E1021 L1022	T989-Y1018 VanDerWaalsContact OG1-CB 3.31Å; T989-Y1018 WeakPolarHBondContact OG1-CB 3.43Å; L992-Y1018 HydrophobicContact CD1-CD2 3.58Å; L992-Y1018 HydrophobicContact CD1-CE2 3.91Å; Y1014-Y1018 HydrophobicContact CD1-CE1 4.24Å; Y1014-Y1018 PolarHBondContact O-N 2.69Å; Y1018-R1020 VanDerWaalsContact C-N 3.33Å; Y1018-R1020 PolarHBondContact O-N 2.96Å; Y1018-E1021 PolarHBondContact O-N 3.36Å; Y1018-L1022 WeakPolarHBondContact O-CG 3.4Å; Y1018-L1022 PolarHBondContact O-N 2.89Å; Y1018-L1022 VanDerWaalsContact O-N 3.16Å
1019	N	93.4	Very high	89.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-41.6	172.7	-165.9	57.1	0	0	0	112.1	T989 S1015 Y1016 Q1017 L1022 L1023 G1030 H1031 L1036	T989-N1019 HydrophobicContact CG2-CB 3.69Å; S1015-N1019 WeakPolarHBondContact O-CB 3.42Å; S1015-N1019 PolarHBondContact O-N 2.97Å; Y1016-N1019 PolarHBondContact O-N 3.32Å; Q1017-N1019 VanDerWaalsContact C-N 3.33Å; Q1017-N1019 PolarHBondContact O-N 3.12Å; N1019-L1022 WeakPolarHBondContact O-CB 3.4Å; N1019-L1022 PolarHBondContact O-N 2.92Å; N1019-L1023 WeakPolarHBondContact ND2-CD1 3.19Å; N1019-L1023 WeakPolarHBondContact O-CG 3.45Å; N1019-L1023 PolarHBondContact O-N 3.44Å; N1019-G1030 WeakPolarHBondContact OD1-CA 3.35Å; N1019-H1031 PolarHBondContact ND2-O 3.02Å; N1019-H1031 PolarHBondContact OD1-N 3.45Å; N1019-L1036 HydrophobicContact CB-CD1 3.7Å
1020	R	89.3	Confident	89.5	Confident	90 Å²	90	49.4 Å²	49.4	34%	0.34	23%	0.232	S	C	.	.	H	α-helix	trans	-65.1	-40	178.3	-157.7	-177.8	-157.1	-153	-0.8	112.1	Y1016 Q1017 Y1018 L1022 L1023 L1024 E1033	Y1016-R1020 WeakPolarHBondContact O-CB 3.41Å; Y1016-R1020 PolarHBondContact O-N 3.25Å; Q1017-R1020 PolarHBondContact O-N 3.21Å; Y1018-R1020 VanDerWaalsContact C-N 3.33Å; Y1018-R1020 PolarHBondContact O-N 2.96Å; R1020-L1022 VanDerWaalsContact C-N 3.26Å; R1020-L1022 PolarHBondContact O-N 2.88Å; R1020-L1023 PolarHBondContact O-N 2.86Å; R1020-L1024 WeakPolarHBondContact O-CB 3.39Å; R1020-L1024 VanDerWaalsContact O-CG 3.27Å; R1020-L1024 WeakPolarHBondContact O-CG 3.14Å; R1020-L1024 PolarHBondContact O-N 2.96Å; R1020-E1033 IonicContact NE-OE1 3.67Å; R1020-E1033 PolarHBondContact NE-OE1 3.4Å
1021	E	90.3	Very high	89.6	Confident	102 Å²	102	48.5 Å²	48.5	48%	0.477	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-32	173.9	-70.8	-173.6	-168.4	0	0	113.2	Q1017 Y1018	Q1017-E1021 PolarHBondContact O-N 2.94Å; Y1018-E1021 PolarHBondContact O-N 3.36Å
1022	L	91.4	Very high	89.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-73.2	-49.3	173.4	-70.3	164	0	0	0	111.4	D982 N985 F986 T989 Y1018 N1019 R1020 L1024 K1025 G1026 R1029	D982-L1022 WeakPolarHBondContact O-CD2 3.41Å; N985-L1022 HydrophobicContact CB-CD1 4.48Å; N985-L1022 HydrophobicContact CB-CD2 4.01Å; F986-L1022 HydrophobicContact CB-CD1 4.11Å; T989-L1022 HydrophobicContact CG2-CD1 4.43Å; T989-L1022 WeakPolarHBondContact OG1-CD1 3.44Å; Y1018-L1022 WeakPolarHBondContact O-CG 3.4Å; Y1018-L1022 PolarHBondContact O-N 2.89Å; Y1018-L1022 VanDerWaalsContact O-N 3.16Å; N1019-L1022 WeakPolarHBondContact O-CB 3.4Å; N1019-L1022 PolarHBondContact O-N 2.92Å; R1020-L1022 VanDerWaalsContact C-N 3.26Å; R1020-L1022 PolarHBondContact O-N 2.88Å; L1022-L1024 VanDerWaalsContact C-N 3.3Å; L1022-L1024 PolarHBondContact O-N 3.06Å; L1022-K1025 WeakPolarHBondContact O-CA 3.31Å; L1022-K1025 WeakPolarHBondContact O-CB 3.33Å; L1022-K1025 PolarHBondContact O-N 3.45Å; L1022-G1026 PolarHBondContact O-N 3.22Å; L1022-R1029 HydrophobicContact CB-CB 4.04Å; L1022-R1029 WeakPolarHBondContact O-CB 3.36Å; L1022-R1029 WeakPolarHBondContact O-CD 3.4Å
1023	L	90.4	Very high	89.2	Confident	32 Å²	32	54 Å²	54	17%	0.168	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-34.5	-179.4	-70.2	174.6	0	0	0	113	N1019 R1020 K1025 G1026 L1027 E1033	N1019-L1023 WeakPolarHBondContact ND2-CD1 3.19Å; N1019-L1023 WeakPolarHBondContact O-CG 3.45Å; N1019-L1023 PolarHBondContact O-N 3.44Å; R1020-L1023 PolarHBondContact O-N 2.86Å; L1023-K1025 PolarHBondContact O-N 3.05Å; L1023-K1025 VanDerWaalsContact O-N 3.14Å; L1023-G1026 CarbonylContact O-C 3.55Å; L1023-G1026 PolarHBondContact O-N 3.01Å; L1023-L1027 VanDerWaalsContact CD2-O 3.24Å; L1023-L1027 WeakPolarHBondContact CD2-O 3.5Å; L1023-E1033 HydrophobicContact CD1-CB 3.76Å; L1023-E1033 HydrophobicContact CD1-CG 4.46Å
1024	L	89.3	Confident	89	Confident	144 Å²	144	59.7 Å²	59.7	75%	0.754	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.3	171.7	-77.5	171.1	0	0	0	113.6	R1020 L1022	R1020-L1024 WeakPolarHBondContact O-CB 3.39Å; R1020-L1024 VanDerWaalsContact O-CG 3.27Å; R1020-L1024 WeakPolarHBondContact O-CG 3.14Å; R1020-L1024 PolarHBondContact O-N 2.96Å; L1022-L1024 VanDerWaalsContact C-N 3.3Å; L1022-L1024 PolarHBondContact O-N 3.06Å
1025	K	87.6	Confident	88.9	Confident	100 Å²	100	61.6 Å²	61.6	44%	0.435	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-4.6	176	-61	165.9	-179.9	170.6	0	113	D982 L1022 L1023 R1029	D982-K1025 IonicContact OD1-NZ 3.91Å; D982-K1025 PolarHBondContact OD1-NZ 2.86Å; L1022-K1025 WeakPolarHBondContact O-CA 3.31Å; L1022-K1025 WeakPolarHBondContact O-CB 3.33Å; L1022-K1025 PolarHBondContact O-N 3.45Å; L1023-K1025 PolarHBondContact O-N 3.05Å; L1023-K1025 VanDerWaalsContact O-N 3.14Å; K1025-R1029 VanDerWaalsContact C-CD 3.45Å; K1025-R1029 WeakPolarHBondContact O-CD 3.33Å; K1025-R1029 PolarHBondContact O-NE 3.27Å
1026	G	86.1	Confident	88.7	Confident	26 Å²	26	61.7 Å²	61.7	27%	0.268	30%	0.295	S	S	.	.			trans	148.7	140.6	179.9	0	0	0	0	0	114	L1022 L1023 Y1028 R1029	L1022-G1026 PolarHBondContact O-N 3.22Å; L1023-G1026 CarbonylContact O-C 3.55Å; L1023-G1026 PolarHBondContact O-N 3.01Å; G1026-Y1028 VanDerWaalsContact C-N 3.31Å; G1026-Y1028 PolarHBondContact O-N 2.89Å; G1026-R1029 WeakPolarHBondContact O-CB 3.39Å; G1026-R1029 PolarHBondContact O-N 3.19Å; G1026-R1029 VanDerWaalsContact O-N 3.09Å
1027	L	82.9	Confident	88.6	Confident	144 Å²	144	61 Å²	61	75%	0.754	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-57.9	-35.8	-173	-64.7	172.3	0	0	0	114.3	L1023 R1029	L1023-L1027 VanDerWaalsContact CD2-O 3.24Å; L1023-L1027 WeakPolarHBondContact CD2-O 3.5Å; L1027-R1029 VanDerWaalsContact C-N 3.32Å; L1027-R1029 PolarHBondContact O-N 3.44Å
1028	Y	85.9	Confident	88.7	Confident	151 Å²	151	62.3 Å²	62.3	59%	0.592	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-89.7	9.8	-178.6	-56.4	-67.8	0	0	0	114	R915 Q925 N926 G1026	R915-Y1028 PolarHBondContact NH1-O 3.07Å; Q925-Y1028 WeakPolarHBondContact O-CD2 3.36Å; N926-Y1028 PolarHBondContact ND2-O 2.87Å; N926-Y1028 WeakPolarHBondContact OD1-CA 3.32Å; N926-Y1028 WeakPolarHBondContact OD1-CB 3.46Å; N926-Y1028 PolarHBondContact OD1-O 2.94Å; G1026-Y1028 VanDerWaalsContact C-N 3.31Å; G1026-Y1028 PolarHBondContact O-N 2.89Å
1029	R	89.4	Confident	88.6	Confident	22 Å²	22	60.2 Å²	60.2	8%	0.083	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-86.8	-19.1	176.5	-63.9	-177.6	175.3	-102.7	11.3	113.8	Y922 N926 D982 F986 L1022 K1025 G1026 L1027	Y922-R1029 HydrophobicContact CE2-CB 4.42Å; N926-R1029 HydrophobicContact CB-CG 4.35Å; N926-R1029 WeakPolarHBondContact OD1-CG 3.35Å; N926-R1029 PolarHBondContact OD1-N 2.89Å; N926-R1029 VanDerWaalsContact OD1-N 3.1Å; D982-R1029 VanDerWaalsContact CG-NH1 3.33Å; D982-R1029 IonicContact OD2-CZ 3.93Å; D982-R1029 IonicContact OD2-NH1 3.24Å; D982-R1029 PolarHBondContact OD2-NH1 3.28Å; D982-R1029 IonicContact OD2-NH2 3.15Å; F986-R1029 WeakPolarHBondContact CD2-O 3.44Å; L1022-R1029 HydrophobicContact CB-CB 4.04Å; L1022-R1029 WeakPolarHBondContact O-CB 3.36Å; L1022-R1029 WeakPolarHBondContact O-CD 3.4Å; K1025-R1029 VanDerWaalsContact C-CD 3.45Å; K1025-R1029 WeakPolarHBondContact O-CD 3.33Å; K1025-R1029 PolarHBondContact O-NE 3.27Å; G1026-R1029 WeakPolarHBondContact O-CB 3.39Å; G1026-R1029 PolarHBondContact O-N 3.19Å; G1026-R1029 VanDerWaalsContact O-N 3.09Å; L1027-R1029 VanDerWaalsContact C-N 3.32Å; L1027-R1029 PolarHBondContact O-N 3.44Å
1030	G	89.4	Confident	88.5	Confident	4 Å²	4	60.4 Å²	60.4	4%	0.041	29%	0.288	C	S	.	.	S	Bend	trans	-118.6	-174.2	-178	0	0	0	0	0	113.8	R915 N1019	R915-G1030 PolarHBondContact NH1-O 3.42Å; R915-G1030 PolarHBondContact NH2-O 2.87Å; N1019-G1030 WeakPolarHBondContact OD1-CA 3.35Å
1031	H	90.9	Very high	88.5	Confident	17 Å²	17	57.1 Å²	57.1	8%	0.079	28%	0.276	C	S	.	.			trans	-95.1	177	164.1	-63.3	-63.4	0	0	0	110.4	D913 F986 T990 M993 N1019 E1033 F1151	D913-H1031 IonicContact OD2-CE1 3.72Å; F986-H1031 AromaticContact CE2-CE1 3.46Å; F986-H1031 VanDerWaalsContact CE2-CE1 3.46Å; F986-H1031 WeakPolarHBondContact CE2-CE1 3.43Å; F986-H1031 AromaticContact CE2-NE2 3.37Å; F986-H1031 WeakPolarHBondContact CE2-NE2 3.48Å; F986-H1031 AromaticContact CZ-CE1 3.68Å; F986-H1031 AromaticContact CZ-NE2 3.86Å; T990-H1031 PolarHBondContact OG1-NE2 3.3Å; M993-H1031 HydrophobicContact CE-CB 3.99Å; M993-H1031 VanDerWaalsContact CE-CG 3.47Å; M993-H1031 HydrophobicContact SD-CB 3.96Å; N1019-H1031 PolarHBondContact ND2-O 3.02Å; N1019-H1031 PolarHBondContact OD1-N 3.45Å; H1031-E1033 PolarHBondContact O-N 3.11Å; H1031-F1151 AromaticContact CE1-CE2 3.58Å; H1031-F1151 AromaticContact ND1-CE2 3.88Å
1032	D	87.4	Confident	88.5	Confident	94 Å²	94	54.3 Å²	54.3	50%	0.503	26%	0.263	S	S	.	.			trans	-61.2	120.5	178.9	-174.9	-12.1	0	0	0	112.4	E1034 L1035 L1036	D1032-E1034 PolarHBondContact OD1-N 3.48Å; D1032-L1035 HydrophobicContact CB-CB 3.83Å; D1032-L1035 PolarHBondContact OD1-N 2.7Å; D1032-L1036 PolarHBondContact O-N 2.65Å
1033	E	87.8	Confident	88.6	Confident	59 Å²	59	54.3 Å²	54.3	28%	0.276	26%	0.263	S	S	.	.	H	α-helix	trans	-73.5	-31.6	177.9	-169.6	172.4	-171.5	0	0	112.4	Y1016 R1020 L1023 H1031 G1037	Y1016-E1033 HydrophobicContact CE1-CG 4.26Å; Y1016-E1033 HydrophobicContact CE2-CG 3.81Å; Y1016-E1033 VanDerWaalsContact CZ-CG 3.5Å; Y1016-E1033 VanDerWaalsContact CZ-OE1 3.3Å; Y1016-E1033 VanDerWaalsContact OH-CD 3.26Å; Y1016-E1033 WeakPolarHBondContact OH-CG 3.32Å; Y1016-E1033 PolarHBondContact OH-OE1 3.08Å; R1020-E1033 IonicContact NE-OE1 3.67Å; R1020-E1033 PolarHBondContact NE-OE1 3.4Å; L1023-E1033 HydrophobicContact CD1-CB 3.76Å; L1023-E1033 HydrophobicContact CD1-CG 4.46Å; H1031-E1033 PolarHBondContact O-N 3.11Å; E1033-G1037 PolarHBondContact O-N 2.94Å
1034	E	86.1	Confident	88.7	Confident	124 Å²	124	52.9 Å²	52.9	58%	0.579	26%	0.255	S	S	*	.	H	α-helix	trans	-68.6	-41.4	175.9	-71.3	-143.5	-135.6	0	0	111	D1032 G1037 Y1038 K1088	D1032-E1034 PolarHBondContact OD1-N 3.48Å; E1034-G1037 PolarHBondContact O-N 3.45Å; E1034-Y1038 WeakPolarHBondContact O-CB 3.31Å; E1034-Y1038 PolarHBondContact O-N 2.73Å; E1034-K1088 IonicContact OE2-NZ 3.59Å; E1034-K1088 PolarHBondContact OE2-NZ 3.28Å
1035	L	87.6	Confident	88.8	Confident	54 Å²	54	47.4 Å²	47.4	28%	0.283	23%	0.227	S	C	.	.	H	α-helix	trans	-63.1	-50.1	177.7	-174.2	65.3	0	0	0	112.2	D1032 G1037 Y1038 H1039 V1158	D1032-L1035 HydrophobicContact CB-CB 3.83Å; D1032-L1035 PolarHBondContact OD1-N 2.7Å; L1035-G1037 VanDerWaalsContact C-N 3.32Å; L1035-G1037 PolarHBondContact O-N 2.9Å; L1035-Y1038 PolarHBondContact O-N 2.82Å; L1035-H1039 PolarHBondContact O-CD2 2.86Å; L1035-H1039 PolarHBondContact O-N 2.84Å; L1035-V1158 HydrophobicContact CD1-CG1 3.76Å
1036	L	88.2	Confident	89	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-40.2	176	-79.6	175.5	0	0	0	111.5	M993 S1015 Y1016 N1019 D1032 R1040	M993-L1036 HydrophobicContact CB-CD2 4.03Å; M993-L1036 HydrophobicContact CG-CD2 3.59Å; M993-L1036 HydrophobicContact CG-CG 4.5Å; M993-L1036 HydrophobicContact SD-CD1 4.21Å; M993-L1036 HydrophobicContact SD-CD2 3.7Å; M993-L1036 HydrophobicContact SD-CG 3.97Å; S1015-L1036 WeakPolarHBondContact OG-CD2 2.91Å; Y1016-L1036 HydrophobicContact CD2-CB 3.92Å; N1019-L1036 HydrophobicContact CB-CD1 3.7Å; D1032-L1036 PolarHBondContact O-N 2.65Å; L1036-R1040 WeakPolarHBondContact O-CB 3.47Å; L1036-R1040 PolarHBondContact O-N 2.72Å
1037	G	88.3	Confident	89.4	Confident	1 Å²	1	44 Å²	44	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-40.3	176.8	0	0	0	0	0	112.9	Y1016 E1033 E1034 L1035 R1041	Y1016-G1037 VanDerWaalsContact CE2-CA 3.43Å; E1033-G1037 PolarHBondContact O-N 2.94Å; E1034-G1037 PolarHBondContact O-N 3.45Å; L1035-G1037 VanDerWaalsContact C-N 3.32Å; L1035-G1037 PolarHBondContact O-N 2.9Å; G1037-R1041 VanDerWaalsContact C-CZ 3.44Å; G1037-R1041 VanDerWaalsContact C-NH2 3.28Å; G1037-R1041 PolarHBondContact O-N 2.9Å; G1037-R1041 PolarHBondContact O-NE 2.56Å; G1037-R1041 PolarHBondContact O-NH1 2.86Å; G1037-R1041 PolarHBondContact O-NH2 3.5Å
1038	Y	89.4	Confident	89.9	Confident	85 Å²	85	37.4 Å²	37.4	33%	0.333	17%	0.17	S	C	.	.	H	α-helix	trans	-60.7	-57.2	176.4	175.5	-100.5	0	0	0	111	E1034 L1035 R1040 R1041 E1042	E1034-Y1038 WeakPolarHBondContact O-CB 3.31Å; E1034-Y1038 PolarHBondContact O-N 2.73Å; L1035-Y1038 PolarHBondContact O-N 2.82Å; Y1038-R1040 VanDerWaalsContact C-N 3.29Å; Y1038-R1040 PolarHBondContact O-N 2.8Å; Y1038-R1041 PolarHBondContact O-N 2.83Å; Y1038-R1041 VanDerWaalsContact O-N 3.11Å; Y1038-E1042 HydrophobicContact CD1-CG 4.31Å; Y1038-E1042 HydrophobicContact CD2-CG 4.29Å; Y1038-E1042 HydrophobicContact CE1-CG 3.89Å; Y1038-E1042 HydrophobicContact CE2-CG 3.88Å; Y1038-E1042 HydrophobicContact CG-CG 4.49Å; Y1038-E1042 PolarHBondContact O-N 3.26Å
1039	H	89.1	Confident	90.2	Very high	13 Å²	13	35 Å²	35	6%	0.06	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-31.7	-179.3	-73.9	-69	0	0	0	113.3	L997 F1000 L1012 L1035 C1043 V1158	L997-H1039 HydrophobicContact CD2-CB 3.67Å; L997-H1039 WeakPolarHBondContact CD2-CD2 3.29Å; F1000-H1039 AromaticContact CD1-ND1 3.7Å; F1000-H1039 AromaticContact CE1-CE1 3.98Å; F1000-H1039 AromaticContact CE1-ND1 3.48Å; F1000-H1039 WeakPolarHBondContact CE1-ND1 3.14Å; F1000-H1039 AromaticContact CZ-ND1 3.92Å; L1012-H1039 HydrophobicContact CD1-CB 4.28Å; L1012-H1039 HydrophobicContact CD2-CB 4.21Å; L1035-H1039 PolarHBondContact O-CD2 2.86Å; L1035-H1039 PolarHBondContact O-N 2.84Å; H1039-C1043 VanDerWaalsContact O-CB 3.24Å; H1039-C1043 WeakPolarHBondContact O-CB 3.2Å; H1039-C1043 PolarHBondContact O-N 3.09Å; H1039-V1158 VanDerWaalsContact NE2-CG1 3.34Å; H1039-V1158 WeakPolarHBondContact NE2-CG1 3.49Å
1040	R	90.8	Very high	90.4	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.019	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-44.9	172	-174.5	-170.2	70.8	-177.6	4.5	112.1	I1013 Y1016 L1036 Y1038 L1044 L1081 D1089	I1013-R1040 HydrophobicContact CG1-CG 4.14Å; Y1016-R1040 VanDerWaalsContact CE1-NH1 3.28Å; Y1016-R1040 VanDerWaalsContact CG-NH1 3.31Å; L1036-R1040 WeakPolarHBondContact O-CB 3.47Å; L1036-R1040 PolarHBondContact O-N 2.72Å; Y1038-R1040 VanDerWaalsContact C-N 3.29Å; Y1038-R1040 PolarHBondContact O-N 2.8Å; R1040-L1044 PolarHBondContact O-N 3.2Å; R1040-L1081 HydrophobicContact CG-CD1 4.47Å; R1040-D1089 IonicContact CZ-OD1 3.8Å; R1040-D1089 IonicContact NH2-OD1 3.92Å; R1040-D1089 PolarHBondContact NH2-OD1 3.27Å; R1040-D1089 IonicContact NH2-OD2 3.87Å; R1040-D1089 PolarHBondContact NH2-OD2 2.87Å
1041	R	90.9	Very high	90.5	Very high	22 Å²	22	37 Å²	37	8%	0.083	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-50.8	175.7	-76.9	-178.9	-68.8	-86.3	0.7	111.8	G1037 Y1038 C1043 L1044 L1045 L1081 K1088 D1089 A1092	G1037-R1041 VanDerWaalsContact C-CZ 3.44Å; G1037-R1041 VanDerWaalsContact C-NH2 3.28Å; G1037-R1041 PolarHBondContact O-N 2.9Å; G1037-R1041 PolarHBondContact O-NE 2.56Å; G1037-R1041 PolarHBondContact O-NH1 2.86Å; G1037-R1041 PolarHBondContact O-NH2 3.5Å; Y1038-R1041 PolarHBondContact O-N 2.83Å; Y1038-R1041 VanDerWaalsContact O-N 3.11Å; R1041-C1043 PolarHBondContact O-N 2.64Å; R1041-L1044 PolarHBondContact O-N 2.91Å; R1041-L1045 PolarHBondContact O-N 3.22Å; R1041-L1081 HydrophobicContact CG-CD2 4.39Å; R1041-K1088 WeakPolarHBondContact CD-O 3.34Å; R1041-D1089 WeakPolarHBondContact CD-OD1 3.37Å; R1041-D1089 WeakPolarHBondContact CG-OD1 3.2Å; R1041-D1089 IonicContact CZ-OD1 2.8Å; R1041-D1089 IonicContact NE-OD1 3.15Å; R1041-D1089 IonicContact NH1-OD1 2.73Å; R1041-D1089 PolarHBondContact NH1-OD1 2.94Å; R1041-D1089 IonicContact NH1-OD2 2.63Å; R1041-A1092 HydrophobicContact CB-CB 4.45Å; R1041-A1092 HydrophobicContact CG-CB 4.22Å
1042	E	90.8	Very high	90.5	Very high	43 Å²	43	36.2 Å²	36.2	20%	0.201	17%	0.17	C	C	.	.	H	α-helix	trans	-57.5	-37.7	-179.9	-75.8	-57.6	108.4	0	0	112.1	F1000 Y1038 L1044 L1045 K1046	F1000-E1042 HydrophobicContact CE2-CB 3.8Å; F1000-E1042 HydrophobicContact CZ-CB 3.71Å; Y1038-E1042 HydrophobicContact CD1-CG 4.31Å; Y1038-E1042 HydrophobicContact CD2-CG 4.29Å; Y1038-E1042 HydrophobicContact CE1-CG 3.89Å; Y1038-E1042 HydrophobicContact CE2-CG 3.88Å; Y1038-E1042 HydrophobicContact CG-CG 4.49Å; Y1038-E1042 PolarHBondContact O-N 3.26Å; E1042-L1044 PolarHBondContact O-N 3.05Å; E1042-L1045 PolarHBondContact O-N 2.87Å; E1042-K1046 VanDerWaalsContact O-CB 3.31Å; E1042-K1046 WeakPolarHBondContact O-CB 3.29Å; E1042-K1046 WeakPolarHBondContact O-CG 3.33Å; E1042-K1046 PolarHBondContact O-N 2.94Å
1043	C	92.8	Very high	90.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-40.8	177.1	-162.2	0	0	0	0	112.2	F1000 Y1005 L1009 L1012 H1039 R1041 L1047	F1000-C1043 HydrophobicContact CD2-CB 4.03Å; F1000-C1043 HydrophobicContact CE2-CB 4.18Å; Y1005-C1043 PolarHBondContact O-SG 2.82Å; L1009-C1043 HydrophobicContact CD1-CB 4.36Å; L1012-C1043 HydrophobicContact CD1-CB 3.89Å; H1039-C1043 VanDerWaalsContact O-CB 3.24Å; H1039-C1043 WeakPolarHBondContact O-CB 3.2Å; H1039-C1043 PolarHBondContact O-N 3.09Å; R1041-C1043 PolarHBondContact O-N 2.64Å; C1043-L1047 WeakPolarHBondContact O-CB 3.38Å; C1043-L1047 WeakPolarHBondContact O-CG 3.48Å; C1043-L1047 PolarHBondContact O-N 2.87Å
1044	L	91.2	Very high	90.9	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-69	-42.8	175	-73.7	164.6	0	0	0	112.1	L1009 R1040 R1041 E1042 K1046 L1047 N1048 V1074 C1077 L1081 M1096	L1009-L1044 HydrophobicContact CD1-CD1 4.35Å; L1009-L1044 HydrophobicContact CD1-CD2 3.66Å; L1009-L1044 HydrophobicContact CD1-CG 3.63Å; L1009-L1044 HydrophobicContact CD2-CD2 3.75Å; L1009-L1044 HydrophobicContact CG-CD2 4.37Å; R1040-L1044 PolarHBondContact O-N 3.2Å; R1041-L1044 PolarHBondContact O-N 2.91Å; E1042-L1044 PolarHBondContact O-N 3.05Å; L1044-K1046 PolarHBondContact O-N 3.26Å; L1044-L1047 PolarHBondContact O-N 2.82Å; L1044-N1048 VanDerWaalsContact O-CB 3.31Å; L1044-N1048 WeakPolarHBondContact O-CB 3.27Å; L1044-N1048 PolarHBondContact O-N 3.03Å; L1044-V1074 HydrophobicContact CD2-CB 4.46Å; L1044-V1074 HydrophobicContact CD2-CG1 4.15Å; L1044-V1074 HydrophobicContact CD2-CG2 4.44Å; L1044-C1077 HydrophobicContact CD2-CB 4.05Å; L1044-L1081 HydrophobicContact CD1-CD1 3.51Å; L1044-L1081 HydrophobicContact CD1-CD2 3.56Å; L1044-L1081 HydrophobicContact CD1-CG 4.2Å; L1044-M1096 HydrophobicContact CB-CE 4.43Å; L1044-M1096 HydrophobicContact CB-SD 4.24Å
1045	L	91.7	Very high	91.1	Very high	30 Å²	30	28.7 Å²	28.7	16%	0.157	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-42.6	176.8	-69.3	174.6	0	0	0	111.6	R1041 E1042 N1048 E1049 A1092 D1095 M1096	R1041-L1045 PolarHBondContact O-N 3.22Å; E1042-L1045 PolarHBondContact O-N 2.87Å; L1045-N1048 PolarHBondContact O-N 3.38Å; L1045-E1049 WeakPolarHBondContact O-CG 3.5Å; L1045-E1049 PolarHBondContact O-N 3.14Å; L1045-A1092 HydrophobicContact CD1-CB 4.25Å; L1045-A1092 HydrophobicContact CD2-CB 4.21Å; L1045-A1092 HydrophobicContact CG-CB 4.33Å; L1045-D1095 HydrophobicContact CD2-CB 4.43Å; L1045-M1096 HydrophobicContact CD2-CG 3.89Å
1046	K	93.1	Very high	91.1	Very high	53 Å²	53	30.8 Å²	30.8	23%	0.23	15%	0.15	C	C	.	.	H	α-helix	trans	-68.9	-35.8	177	-68	-79.6	159.4	-89.5	0	112.8	Y1005 E1042 L1044 E1049 Q1050	Y1005-K1046 HydrophobicContact CD1-CB 4.13Å; Y1005-K1046 HydrophobicContact CD2-CB 3.91Å; Y1005-K1046 HydrophobicContact CE1-CB 4.05Å; Y1005-K1046 HydrophobicContact CE1-CG 4.26Å; Y1005-K1046 HydrophobicContact CE2-CB 3.82Å; Y1005-K1046 HydrophobicContact CE2-CG 4.45Å; Y1005-K1046 HydrophobicContact CG-CB 4.06Å; E1042-K1046 VanDerWaalsContact O-CB 3.31Å; E1042-K1046 WeakPolarHBondContact O-CB 3.29Å; E1042-K1046 WeakPolarHBondContact O-CG 3.33Å; E1042-K1046 PolarHBondContact O-N 2.94Å; L1044-K1046 PolarHBondContact O-N 3.26Å; K1046-E1049 WeakPolarHBondContact CD-OE2 3.19Å; K1046-E1049 IonicContact NZ-OE1 3.59Å; K1046-E1049 PolarHBondContact NZ-OE1 2.79Å; K1046-E1049 IonicContact NZ-OE2 2.7Å; K1046-E1049 PolarHBondContact NZ-OE2 2.93Å; K1046-Q1050 WeakPolarHBondContact O-CG 3.34Å; K1046-Q1050 PolarHBondContact O-N 3Å
1047	L	92.9	Very high	91.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-40.7	170.1	-78.1	168.9	0	0	0	112.3	V1006 L1009 C1043 L1044 Q1050 A1051 I1069 V1074	V1006-L1047 HydrophobicContact CB-CD2 4.46Å; V1006-L1047 HydrophobicContact CG2-CD2 3.58Å; L1009-L1047 HydrophobicContact CB-CD1 4.04Å; L1009-L1047 HydrophobicContact CD2-CD1 3.7Å; L1009-L1047 HydrophobicContact CG-CD1 4.35Å; C1043-L1047 WeakPolarHBondContact O-CB 3.38Å; C1043-L1047 WeakPolarHBondContact O-CG 3.48Å; C1043-L1047 PolarHBondContact O-N 2.87Å; L1044-L1047 PolarHBondContact O-N 2.82Å; L1047-Q1050 PolarHBondContact O-N 2.76Å; L1047-A1051 VanDerWaalsContact O-CB 3.31Å; L1047-A1051 WeakPolarHBondContact O-CB 3.49Å; L1047-A1051 PolarHBondContact O-N 2.89Å; L1047-I1069 HydrophobicContact CB-CG2 4.33Å; L1047-I1069 HydrophobicContact CD2-CG2 4Å; L1047-V1074 HydrophobicContact CB-CG2 3.99Å
1048	N	93.8	Very high	90.7	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-40.1	176	177.7	82	0	0	0	112	L1044 L1045 A1052 M1070 M1096 W1100	L1044-N1048 VanDerWaalsContact O-CB 3.31Å; L1044-N1048 WeakPolarHBondContact O-CB 3.27Å; L1044-N1048 PolarHBondContact O-N 3.03Å; L1045-N1048 PolarHBondContact O-N 3.38Å; N1048-A1052 WeakPolarHBondContact O-CB 3.5Å; N1048-A1052 PolarHBondContact O-N 3.47Å; N1048-M1070 HydrophobicContact CB-SD 4.36Å; N1048-M1070 WeakPolarHBondContact OD1-CE 3.32Å; N1048-M1096 HydrophobicContact CB-CG 3.77Å; N1048-M1096 HydrophobicContact CB-SD 3.83Å; N1048-W1100 VanDerWaalsContact OD1-CD1 3.27Å; N1048-W1100 PolarHBondContact OD1-NE1 2.98Å
1049	E	92.9	Very high	90.6	Very high	100 Å²	100	36 Å²	36	47%	0.467	19%	0.189	S	C	.	.	H	α-helix	trans	-60.2	-47.7	171	-77.9	171.1	-163.2	0	0	112	L1045 K1046 A1052 A1053	L1045-E1049 WeakPolarHBondContact O-CG 3.5Å; L1045-E1049 PolarHBondContact O-N 3.14Å; K1046-E1049 WeakPolarHBondContact CD-OE2 3.19Å; K1046-E1049 IonicContact NZ-OE1 3.59Å; K1046-E1049 PolarHBondContact NZ-OE1 2.79Å; K1046-E1049 IonicContact NZ-OE2 2.7Å; K1046-E1049 PolarHBondContact NZ-OE2 2.93Å; E1049-A1052 PolarHBondContact O-N 3.1Å; E1049-A1053 WeakPolarHBondContact O-CB 3.41Å; E1049-A1053 PolarHBondContact O-N 2.98Å
1050	Q	93	Very high	90.4	Very high	69 Å²	69	40 Å²	40	32%	0.322	21%	0.208	S	C	.	.	H	α-helix	trans	-62.7	-46.3	178.3	-75.6	179.6	-16.4	0	0	111.9	K1046 L1047 A1052 A1053 M1054	K1046-Q1050 WeakPolarHBondContact O-CG 3.34Å; K1046-Q1050 PolarHBondContact O-N 3Å; L1047-Q1050 PolarHBondContact O-N 2.76Å; Q1050-A1052 VanDerWaalsContact C-N 3.34Å; Q1050-A1052 PolarHBondContact O-N 2.77Å; Q1050-A1053 PolarHBondContact O-N 2.98Å; Q1050-M1054 VanDerWaalsContact O-CG 3.31Å; Q1050-M1054 WeakPolarHBondContact O-CG 3.29Å; Q1050-M1054 PolarHBondContact O-N 3.08Å
1051	A	92.9	Very high	90.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-36.6	177.3	0	0	0	0	0	112.8	L1047 F1055 G1066 I1069 M1070 W1100	L1047-A1051 VanDerWaalsContact O-CB 3.31Å; L1047-A1051 WeakPolarHBondContact O-CB 3.49Å; L1047-A1051 PolarHBondContact O-N 2.89Å; A1051-F1055 PolarHBondContact O-N 2.83Å; A1051-F1055 VanDerWaalsContact O-N 3.09Å; A1051-G1066 WeakPolarHBondContact CB-O 3.19Å; A1051-I1069 HydrophobicContact CB-CB 4.37Å; A1051-I1069 HydrophobicContact CB-CG2 4.27Å; A1051-M1070 HydrophobicContact CB-CG 3.68Å; A1051-M1070 HydrophobicContact CB-SD 3.83Å; A1051-W1100 HydrophobicContact CB-CZ2 4.07Å
1052	A	90.9	Very high	89.9	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-42.9	174.4	0	0	0	0	0	111.7	N1048 E1049 Q1050 F1055 E1056 R1099 W1100 Y1103	N1048-A1052 WeakPolarHBondContact O-CB 3.5Å; N1048-A1052 PolarHBondContact O-N 3.47Å; E1049-A1052 PolarHBondContact O-N 3.1Å; Q1050-A1052 VanDerWaalsContact C-N 3.34Å; Q1050-A1052 PolarHBondContact O-N 2.77Å; A1052-F1055 WeakPolarHBondContact O-CB 3.4Å; A1052-F1055 PolarHBondContact O-N 3.29Å; A1052-F1055 VanDerWaalsContact O-N 3.13Å; A1052-E1056 WeakPolarHBondContact O-CG 3.5Å; A1052-E1056 PolarHBondContact O-N 2.92Å; A1052-R1099 HydrophobicContact CB-CG 4.26Å; A1052-W1100 HydrophobicContact CB-CZ2 4.23Å; A1052-Y1103 PolarHBondContact O-OH 2.76Å
1053	A	91.7	Very high	89.8	Confident	53 Å²	53	45 Å²	45	44%	0.438	24%	0.239	S	C	.	.	H	α-helix	trans	-65.4	-39.4	176.6	0	0	0	0	0	112.6	E1049 Q1050 F1055 E1056 S1057	E1049-A1053 WeakPolarHBondContact O-CB 3.41Å; E1049-A1053 PolarHBondContact O-N 2.98Å; Q1050-A1053 PolarHBondContact O-N 2.98Å; A1053-F1055 PolarHBondContact O-N 3.42Å; A1053-E1056 PolarHBondContact O-N 3.28Å; A1053-S1057 PolarHBondContact O-N 3.37Å; A1053-S1057 VanDerWaalsContact O-N 3.16Å
1054	M	90.4	Very high	89.6	Confident	57 Å²	57	46.8 Å²	46.8	28%	0.281	26%	0.258	S	S	.	.	H	α-helix	trans	-66.4	-22.3	172.3	-70.8	175	-173.3	0	0	113.3	Q1050 S1057 E1062 V1063 T1065 I1069	Q1050-M1054 VanDerWaalsContact O-CG 3.31Å; Q1050-M1054 WeakPolarHBondContact O-CG 3.29Å; Q1050-M1054 PolarHBondContact O-N 3.08Å; M1054-S1057 PolarHBondContact O-OG 2.9Å; M1054-E1062 HydrophobicContact CB-CB 4.31Å; M1054-E1062 CarbonylContact O-C 3.53Å; M1054-V1063 WeakPolarHBondContact O-CA 3.4Å; M1054-V1063 PolarHBondContact O-N 3.17Å; M1054-V1063 VanDerWaalsContact O-N 3.13Å; M1054-T1065 HydrophobicContact SD-CG2 4.13Å; M1054-I1069 HydrophobicContact CE-CD1 4.48Å; M1054-I1069 HydrophobicContact SD-CD1 4.11Å
1055	F	90.6	Very high	89.5	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-82.1	-37.8	171.9	-176.5	-89.7	0	0	0	111.6	A1051 A1052 A1053 S1057 G1058 V1063 L1067 W1100 Y1103 L1112 L1116	A1051-F1055 PolarHBondContact O-N 2.83Å; A1051-F1055 VanDerWaalsContact O-N 3.09Å; A1052-F1055 WeakPolarHBondContact O-CB 3.4Å; A1052-F1055 PolarHBondContact O-N 3.29Å; A1052-F1055 VanDerWaalsContact O-N 3.13Å; A1053-F1055 PolarHBondContact O-N 3.42Å; F1055-S1057 VanDerWaalsContact C-N 3.32Å; F1055-S1057 PolarHBondContact O-N 3.41Å; F1055-G1058 PolarHBondContact O-N 3.27Å; F1055-V1063 HydrophobicContact CD2-CG1 3.9Å; F1055-V1063 HydrophobicContact CE2-CG1 4.16Å; F1055-L1067 HydrophobicContact CD2-CD1 4.19Å; F1055-L1067 HydrophobicContact CD2-CD2 4.17Å; F1055-L1067 HydrophobicContact CD2-CG 4.17Å; F1055-L1067 HydrophobicContact CE2-CD1 4.27Å; F1055-W1100 HydrophobicContact CB-CH2 3.69Å; F1055-W1100 HydrophobicContact CB-CZ3 3.82Å; F1055-W1100 HydrophobicContact CD1-CZ3 4.05Å; F1055-W1100 HydrophobicContact CD2-CH2 4.32Å; F1055-W1100 AromaticContact CD2-CZ3 3.82Å; F1055-W1100 HydrophobicContact CD2-CZ3 3.82Å; F1055-W1100 HydrophobicContact CE2-CZ3 4.47Å; F1055-W1100 HydrophobicContact CG-CH2 4.01Å; F1055-W1100 AromaticContact CG-CZ3 3.61Å; F1055-W1100 HydrophobicContact CG-CZ3 3.61Å; F1055-Y1103 HydrophobicContact CD1-CD2 4.34Å; F1055-Y1103 HydrophobicContact CD1-CE2 4Å; F1055-Y1103 HydrophobicContact CE1-CD2 4.28Å; F1055-Y1103 HydrophobicContact CE1-CE2 4.41Å; F1055-L1112 HydrophobicContact CZ-CB 4.11Å; F1055-L1116 HydrophobicContact CE2-CB 4.45Å; F1055-L1116 HydrophobicContact CZ-CB 3.89Å; F1055-L1116 HydrophobicContact CZ-CD1 4.38Å
1056	E	87.6	Confident	89.4	Confident	99 Å²	99	48.9 Å²	48.9	46%	0.463	27%	0.273	S	S	.	.	H	α-helix	trans	-70.5	-19.7	178.5	-75.3	173.9	146.6	0	0	114.4	A1052 A1053 G1058 R1099 Y1103	A1052-E1056 WeakPolarHBondContact O-CG 3.5Å; A1052-E1056 PolarHBondContact O-N 2.92Å; A1053-E1056 PolarHBondContact O-N 3.28Å; E1056-G1058 VanDerWaalsContact C-N 3.26Å; E1056-G1058 PolarHBondContact O-N 3.13Å; E1056-R1099 IonicContact OE1-CZ 2.73Å; E1056-R1099 VanDerWaalsContact OE1-CZ 3.27Å; E1056-R1099 IonicContact OE1-NH1 3.54Å; E1056-R1099 PolarHBondContact OE1-NH1 3.03Å; E1056-R1099 IonicContact OE1-NH2 3.94Å; E1056-R1099 PolarHBondContact OE1-NH2 3.17Å; E1056-R1099 IonicContact OE2-CZ 2.75Å; E1056-R1099 IonicContact OE2-NH1 2.66Å; E1056-R1099 IonicContact OE2-NH2 3.94Å; E1056-R1099 PolarHBondContact OE2-NH2 2.79Å; E1056-Y1103 HydrophobicContact CG-CE1 3.86Å; E1056-Y1103 WeakPolarHBondContact CG-OH 3.36Å; E1056-Y1103 WeakPolarHBondContact OE1-CE1 3.39Å; E1056-Y1103 PolarHBondContact OE1-OH 3.23Å
1057	S	88.6	Confident	89.3	Confident	54 Å²	54	47.2 Å²	47.2	38%	0.378	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.6	175.1	70.2	0	0	0	0	113.4	A1053 M1054 F1055 E1059 E1062	A1053-S1057 PolarHBondContact O-N 3.37Å; A1053-S1057 VanDerWaalsContact O-N 3.16Å; M1054-S1057 PolarHBondContact O-OG 2.9Å; F1055-S1057 VanDerWaalsContact C-N 3.32Å; F1055-S1057 PolarHBondContact O-N 3.41Å; S1057-E1059 PolarHBondContact O-N 2.98Å; S1057-E1062 WeakPolarHBondContact CB-OE2 3.37Å; S1057-E1062 PolarHBondContact OG-OE2 3.13Å
1058	G	80.1	Confident	89.1	Confident	22 Å²	22	48.5 Å²	48.5	23%	0.227	28%	0.279	C	S	.	.			trans	72.9	-6.7	-179.7	0	0	0	0	0	115.2	F1055 E1056 E1060	F1055-G1058 PolarHBondContact O-N 3.27Å; E1056-G1058 VanDerWaalsContact C-N 3.26Å; E1056-G1058 PolarHBondContact O-N 3.13Å; G1058-E1060 PolarHBondContact O-N 2.9Å
1059	E	86.7	Confident	88.9	Confident	121 Å²	121	49.2 Å²	49.2	57%	0.565	28%	0.283	S	S	*	.			trans	-71.9	117.2	177.8	-66.9	-157.6	-168.3	0	0	110.9	S1057 P1061 E1062 V1063	S1057-E1059 PolarHBondContact O-N 2.98Å; E1059-P1061 VanDerWaalsContact C-N 3.35Å; E1059-P1061 VanDerWaalsContact O-N 3.08Å; E1059-E1062 HydrophobicContact CB-CB 4.35Å; E1059-E1062 HydrophobicContact CB-CG 4.2Å; E1059-E1062 PolarHBondContact O-N 3.5Å; E1059-V1063 WeakPolarHBondContact O-CG2 3.38Å; E1059-V1063 PolarHBondContact O-N 3.46Å
1060	E	84.7	Confident	88.8	Confident	97 Å²	97	44.4 Å²	44.4	45%	0.453	26%	0.26	S	S	.	.	H	α-helix	trans	-36.6	-49.6	178.2	-87.1	-66.2	128.7	0	0	116.1	G1058 G1064 N1111 K1115	G1058-E1060 PolarHBondContact O-N 2.9Å; E1060-G1064 PolarHBondContact O-N 3.24Å; E1060-N1111 PolarHBondContact OE1-ND2 3.11Å; E1060-K1115 IonicContact OE1-NZ 3.41Å; E1060-K1115 PolarHBondContact OE1-NZ 3.02Å; E1060-K1115 IonicContact OE2-NZ 3.73Å; E1060-K1115 PolarHBondContact OE2-NZ 2.97Å
1061	P	85.2	Confident	88.5	Confident	88 Å²	88	42.9 Å²	42.9	57%	0.571	25%	0.254	S	S	*	.	H	α-helix	trans	-69.8	-34.4	178.8	27.5	-35.6	0	0	0	114	E1059 T1065	E1059-P1061 VanDerWaalsContact C-N 3.35Å; E1059-P1061 VanDerWaalsContact O-N 3.08Å; P1061-T1065 WeakPolarHBondContact O-CB 3.29Å; P1061-T1065 PolarHBondContact O-N 3.19Å; P1061-T1065 VanDerWaalsContact O-N 3.1Å; P1061-T1065 PolarHBondContact O-OG1 3.26Å
1062	E	87	Confident	88.2	Confident	85 Å²	85	48.8 Å²	48.8	40%	0.397	28%	0.282	S	S	.	.	H	α-helix	trans	-73.2	-47.5	176.9	-61.5	-161.1	145.2	0	0	110.3	M1054 S1057 E1059 G1064 T1065 G1066	M1054-E1062 HydrophobicContact CB-CB 4.31Å; M1054-E1062 CarbonylContact O-C 3.53Å; S1057-E1062 WeakPolarHBondContact CB-OE2 3.37Å; S1057-E1062 PolarHBondContact OG-OE2 3.13Å; E1059-E1062 HydrophobicContact CB-CB 4.35Å; E1059-E1062 HydrophobicContact CB-CG 4.2Å; E1059-E1062 PolarHBondContact O-N 3.5Å; E1062-G1064 VanDerWaalsContact C-N 3.27Å; E1062-G1064 PolarHBondContact O-N 3.29Å; E1062-T1065 CarbonylContact O-C 3.56Å; E1062-T1065 WeakPolarHBondContact O-CA 3.31Å; E1062-T1065 WeakPolarHBondContact O-CB 3.21Å; E1062-T1065 PolarHBondContact O-N 2.91Å; E1062-G1066 PolarHBondContact O-N 2.82Å
1063	V	88.7	Confident	88	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-54.7	-43.9	175.3	172.6	0	0	0	0	110.8	M1054 F1055 E1059 L1067 L1112 K1115	M1054-V1063 WeakPolarHBondContact O-CA 3.4Å; M1054-V1063 PolarHBondContact O-N 3.17Å; M1054-V1063 VanDerWaalsContact O-N 3.13Å; F1055-V1063 HydrophobicContact CD2-CG1 3.9Å; F1055-V1063 HydrophobicContact CE2-CG1 4.16Å; E1059-V1063 WeakPolarHBondContact O-CG2 3.38Å; E1059-V1063 PolarHBondContact O-N 3.46Å; V1063-L1067 HydrophobicContact CG1-CD1 4.08Å; V1063-L1067 WeakPolarHBondContact O-CB 3.19Å; V1063-L1067 VanDerWaalsContact O-CG 3.3Å; V1063-L1067 WeakPolarHBondContact O-CG 3.21Å; V1063-L1067 PolarHBondContact O-N 2.9Å; V1063-L1067 VanDerWaalsContact O-N 3.08Å; V1063-L1112 HydrophobicContact CB-CD2 4.39Å; V1063-L1112 HydrophobicContact CG1-CD2 3.9Å; V1063-L1112 HydrophobicContact CG2-CD2 3.69Å; V1063-K1115 HydrophobicContact CG1-CD 3.83Å
1064	G	87.5	Confident	87.8	Confident	38 Å²	38	48 Å²	48	39%	0.392	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-38.3	174.5	0	0	0	0	0	113.3	E1060 E1062 G1068	E1060-G1064 PolarHBondContact O-N 3.24Å; E1062-G1064 VanDerWaalsContact C-N 3.27Å; E1062-G1064 PolarHBondContact O-N 3.29Å; G1064-G1068 PolarHBondContact O-N 2.67Å
1065	T	88.9	Confident	87.7	Confident	76 Å²	76	45.3 Å²	45.3	47%	0.466	26%	0.257	S	S	.	.	H	α-helix	trans	-70.8	-45.4	178.9	-58.7	0	0	0	0	111.8	M1054 P1061 E1062 G1068 I1069	M1054-T1065 HydrophobicContact SD-CG2 4.13Å; P1061-T1065 WeakPolarHBondContact O-CB 3.29Å; P1061-T1065 PolarHBondContact O-N 3.19Å; P1061-T1065 VanDerWaalsContact O-N 3.1Å; P1061-T1065 PolarHBondContact O-OG1 3.26Å; E1062-T1065 CarbonylContact O-C 3.56Å; E1062-T1065 WeakPolarHBondContact O-CA 3.31Å; E1062-T1065 WeakPolarHBondContact O-CB 3.21Å; E1062-T1065 PolarHBondContact O-N 2.91Å; T1065-G1068 WeakPolarHBondContact O-CA 3.3Å; T1065-G1068 PolarHBondContact O-N 3.39Å; T1065-G1068 VanDerWaalsContact O-N 3.16Å; T1065-I1069 HydrophobicContact CG2-CD1 4.44Å; T1065-I1069 WeakPolarHBondContact O-CG1 3.15Å; T1065-I1069 PolarHBondContact O-N 3.09Å
1066	G	90.3	Very high	87.5	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-45.8	177.1	0	0	0	0	0	112.3	A1051 E1062 G1068 I1069 M1070	A1051-G1066 WeakPolarHBondContact CB-O 3.19Å; E1062-G1066 PolarHBondContact O-N 2.82Å; G1066-G1068 VanDerWaalsContact C-N 3.29Å; G1066-G1068 PolarHBondContact O-N 3.04Å; G1066-I1069 PolarHBondContact O-N 2.87Å; G1066-M1070 PolarHBondContact O-N 3.02Å; G1066-M1070 VanDerWaalsContact O-N 3.09Å
1067	L	90	Very high	87.4	Confident	18 Å²	18	40.3 Å²	40.3	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-33.3	173.4	-67.8	173.3	0	0	0	112	F1055 V1063 M1070 N1071 W1100 K1115 F1119	F1055-L1067 HydrophobicContact CD2-CD1 4.19Å; F1055-L1067 HydrophobicContact CD2-CD2 4.17Å; F1055-L1067 HydrophobicContact CD2-CG 4.17Å; F1055-L1067 HydrophobicContact CE2-CD1 4.27Å; V1063-L1067 HydrophobicContact CG1-CD1 4.08Å; V1063-L1067 WeakPolarHBondContact O-CB 3.19Å; V1063-L1067 VanDerWaalsContact O-CG 3.3Å; V1063-L1067 WeakPolarHBondContact O-CG 3.21Å; V1063-L1067 PolarHBondContact O-N 2.9Å; V1063-L1067 VanDerWaalsContact O-N 3.08Å; L1067-M1070 PolarHBondContact O-N 3.13Å; L1067-N1071 WeakPolarHBondContact O-CB 3.16Å; L1067-N1071 PolarHBondContact O-N 2.95Å; L1067-N1071 PolarHBondContact O-ND2 3.28Å; L1067-W1100 HydrophobicContact CD2-CH2 4.01Å; L1067-W1100 HydrophobicContact CD2-CZ3 3.9Å; L1067-K1115 HydrophobicContact CD1-CB 3.88Å; L1067-K1115 HydrophobicContact CD1-CD 4.29Å; L1067-K1115 HydrophobicContact CD1-CG 4.44Å; L1067-F1119 HydrophobicContact CD2-CB 4.01Å; L1067-F1119 HydrophobicContact CD2-CD1 3.85Å; L1067-F1119 HydrophobicContact CD2-CD2 4.4Å; L1067-F1119 HydrophobicContact CD2-CG 3.8Å
1068	G	88.8	Confident	87.3	Confident	27 Å²	27	37.8 Å²	37.8	28%	0.278	22%	0.216	S	C	.	.	H	α-helix	trans	-58	-51.8	170.3	0	0	0	0	0	112.5	G1064 T1065 G1066 M1070 N1071 E1072	G1064-G1068 PolarHBondContact O-N 2.67Å; T1065-G1068 WeakPolarHBondContact O-CA 3.3Å; T1065-G1068 PolarHBondContact O-N 3.39Å; T1065-G1068 VanDerWaalsContact O-N 3.16Å; G1066-G1068 VanDerWaalsContact C-N 3.29Å; G1066-G1068 PolarHBondContact O-N 3.04Å; G1068-M1070 VanDerWaalsContact C-N 3.28Å; G1068-M1070 PolarHBondContact O-N 2.68Å; G1068-N1071 PolarHBondContact O-N 3.14Å; G1068-E1072 WeakPolarHBondContact O-CB 3.42Å; G1068-E1072 WeakPolarHBondContact O-CG 3.39Å; G1068-E1072 PolarHBondContact O-N 3.5Å
1069	I	89.8	Confident	87.3	Confident	21 Å²	21	37.9 Å²	37.9	11%	0.108	21%	0.213	C	C	.	.	H	α-helix	trans	-54.3	-44.2	175.6	-68.8	165.7	0	0	0	111	L1047 A1051 M1054 T1065 G1066 L1073 V1074	L1047-I1069 HydrophobicContact CB-CG2 4.33Å; L1047-I1069 HydrophobicContact CD2-CG2 4Å; A1051-I1069 HydrophobicContact CB-CB 4.37Å; A1051-I1069 HydrophobicContact CB-CG2 4.27Å; M1054-I1069 HydrophobicContact CE-CD1 4.48Å; M1054-I1069 HydrophobicContact SD-CD1 4.11Å; T1065-I1069 HydrophobicContact CG2-CD1 4.44Å; T1065-I1069 WeakPolarHBondContact O-CG1 3.15Å; T1065-I1069 PolarHBondContact O-N 3.09Å; G1066-I1069 PolarHBondContact O-N 2.87Å; I1069-L1073 WeakPolarHBondContact O-CB 3.42Å; I1069-L1073 PolarHBondContact O-N 3.37Å; I1069-L1073 VanDerWaalsContact O-N 3.1Å; I1069-V1074 HydrophobicContact CG2-CG2 4.31Å; I1069-V1074 PolarHBondContact O-N 3.25Å; I1069-V1074 VanDerWaalsContact O-N 3.17Å
1070	M	90.9	Very high	86.9	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-66.5	-47.6	178.4	-66.9	-58.4	-64.8	0	0	113.2	N1048 A1051 G1066 L1067 G1068 V1074 V1075 W1100 F1119 L1123	N1048-M1070 HydrophobicContact CB-SD 4.36Å; N1048-M1070 WeakPolarHBondContact OD1-CE 3.32Å; A1051-M1070 HydrophobicContact CB-CG 3.68Å; A1051-M1070 HydrophobicContact CB-SD 3.83Å; G1066-M1070 PolarHBondContact O-N 3.02Å; G1066-M1070 VanDerWaalsContact O-N 3.09Å; L1067-M1070 PolarHBondContact O-N 3.13Å; G1068-M1070 VanDerWaalsContact C-N 3.28Å; G1068-M1070 PolarHBondContact O-N 2.68Å; M1070-V1074 HydrophobicContact CE-CB 3.97Å; M1070-V1074 HydrophobicContact CE-CG1 3.73Å; M1070-V1074 PolarHBondContact O-N 3.36Å; M1070-V1074 HydrophobicContact SD-CB 3.87Å; M1070-V1074 HydrophobicContact SD-CG1 4.09Å; M1070-V1074 HydrophobicContact SD-CG2 3.78Å; M1070-V1075 WeakPolarHBondContact O-CB 3.33Å; M1070-V1075 WeakPolarHBondContact O-CG2 3.46Å; M1070-V1075 PolarHBondContact O-N 3.16Å; M1070-W1100 HydrophobicContact CG-CH2 4.36Å; M1070-W1100 HydrophobicContact CG-CZ2 3.62Å; M1070-W1100 HydrophobicContact SD-CZ2 4.14Å; M1070-F1119 HydrophobicContact CB-CE1 4.38Å; M1070-F1119 HydrophobicContact CB-CE2 3.63Å; M1070-F1119 HydrophobicContact CB-CZ 3.5Å; M1070-F1119 VanDerWaalsContact CB-CZ 3.5Å; M1070-F1119 HydrophobicContact CE-CE1 4.49Å; M1070-F1119 HydrophobicContact CE-CZ 3.85Å; M1070-F1119 HydrophobicContact CG-CE1 4.43Å; M1070-F1119 HydrophobicContact CG-CZ 3.92Å; M1070-L1123 HydrophobicContact CE-CD1 4.01Å
1071	N	87.6	Confident	86.7	Confident	36 Å²	36	29.5 Å²	29.5	19%	0.193	18%	0.175	C	C	.	.	I	π-helix	trans	-72.7	-32.4	-176.2	-80.3	-96.9	0	0	0	113.3	L1067 G1068 F1119 K1122	L1067-N1071 WeakPolarHBondContact O-CB 3.16Å; L1067-N1071 PolarHBondContact O-N 2.95Å; L1067-N1071 PolarHBondContact O-ND2 3.28Å; G1068-N1071 PolarHBondContact O-N 3.14Å; N1071-F1119 WeakPolarHBondContact ND2-CD2 3.34Å; N1071-K1122 WeakPolarHBondContact OD1-CD 3.42Å; N1071-K1122 WeakPolarHBondContact OD1-CE 3.49Å; N1071-K1122 PolarHBondContact OD1-NZ 3.28Å
1072	E	86.2	Confident	86.3	Confident	124 Å²	124	28.2 Å²	28.2	58%	0.579	16%	0.163	S	C	*	.	I	π-helix	trans	-96.5	-28.3	-173.6	-60.6	-156.4	140.4	0	0	113.9	G1068	G1068-E1072 WeakPolarHBondContact O-CB 3.42Å; G1068-E1072 WeakPolarHBondContact O-CG 3.39Å; G1068-E1072 PolarHBondContact O-N 3.5Å
1073	L	85.9	Confident	85.6	Confident	38 Å²	38	28 Å²	28	20%	0.199	18%	0.175	C	C	.	.	I	π-helix	trans	-119	-57.7	-174.3	-53.7	173	0	0	0	112.1	V1006 L1009 I1069 C1077	V1006-L1073 HydrophobicContact CB-CD1 4.46Å; V1006-L1073 HydrophobicContact CG1-CD1 3.85Å; V1006-L1073 HydrophobicContact CG2-CD1 4.32Å; L1009-L1073 HydrophobicContact CD2-CB 4.25Å; I1069-L1073 WeakPolarHBondContact O-CB 3.42Å; I1069-L1073 PolarHBondContact O-N 3.37Å; I1069-L1073 VanDerWaalsContact O-N 3.1Å; L1073-C1077 PolarHBondContact O-N 2.7Å; L1073-C1077 PolarHBondContact O-SG 2.96Å
1074	V	88.4	Confident	84.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-70.6	-54.3	-169.7	-177.2	0	0	0	0	112.3	L1044 L1047 I1069 M1070 C1077 I1078 M1096	L1044-V1074 HydrophobicContact CD2-CB 4.46Å; L1044-V1074 HydrophobicContact CD2-CG1 4.15Å; L1044-V1074 HydrophobicContact CD2-CG2 4.44Å; L1047-V1074 HydrophobicContact CB-CG2 3.99Å; I1069-V1074 HydrophobicContact CG2-CG2 4.31Å; I1069-V1074 PolarHBondContact O-N 3.25Å; I1069-V1074 VanDerWaalsContact O-N 3.17Å; M1070-V1074 HydrophobicContact CE-CB 3.97Å; M1070-V1074 HydrophobicContact CE-CG1 3.73Å; M1070-V1074 PolarHBondContact O-N 3.36Å; M1070-V1074 HydrophobicContact SD-CB 3.87Å; M1070-V1074 HydrophobicContact SD-CG1 4.09Å; M1070-V1074 HydrophobicContact SD-CG2 3.78Å; V1074-C1077 PolarHBondContact O-N 3.28Å; V1074-C1077 VanDerWaalsContact O-N 3.12Å; V1074-I1078 PolarHBondContact O-N 3.22Å; V1074-M1096 HydrophobicContact CG1-CE 4.38Å; V1074-M1096 HydrophobicContact CG1-SD 3.62Å
1075	V	88.3	Confident	83.1	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-45.6	-176.6	172.1	0	0	0	0	112.6	M1070 C1077 I1078 P1079 F1119 K1122 L1123 E1129	M1070-V1075 WeakPolarHBondContact O-CB 3.33Å; M1070-V1075 WeakPolarHBondContact O-CG2 3.46Å; M1070-V1075 PolarHBondContact O-N 3.16Å; V1075-C1077 PolarHBondContact O-N 2.85Å; V1075-I1078 WeakPolarHBondContact O-CB 3.21Å; V1075-I1078 PolarHBondContact O-N 2.67Å; V1075-I1078 VanDerWaalsContact O-N 3.13Å; V1075-P1079 VanDerWaalsContact O-CD 3.26Å; V1075-P1079 WeakPolarHBondContact O-CD 3.41Å; V1075-F1119 HydrophobicContact CG2-CE2 4.02Å; V1075-F1119 HydrophobicContact CG2-CZ 4.28Å; V1075-K1122 HydrophobicContact CG1-CB 4.48Å; V1075-L1123 HydrophobicContact CG2-CB 4.4Å; V1075-L1123 HydrophobicContact CG2-CD1 3.9Å; V1075-E1129 HydrophobicContact CG1-CB 4.5Å
1076	P	86.6	Confident	82.4	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.013	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-20.6	176.5	-23.7	35.7	0	0	0	114.7	K1131 F1133	P1076-K1131 HydrophobicContact CB-CB 4.15Å; P1076-K1131 HydrophobicContact CB-CD 4.36Å; P1076-K1131 HydrophobicContact CG-CD 4.06Å; P1076-F1133 HydrophobicContact CB-CE2 4.25Å; P1076-F1133 HydrophobicContact CB-CZ 3.94Å
1077	C	85.3	Confident	81.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-84.8	-19.5	175.2	-66.8	0	0	0	0	113.7	I1013 L1044 L1073 V1074 V1075 L1080 L1081	I1013-C1077 HydrophobicContact CD1-CB 3.89Å; I1013-C1077 WeakPolarHBondContact CD1-SG 3.28Å; L1044-C1077 HydrophobicContact CD2-CB 4.05Å; L1073-C1077 PolarHBondContact O-N 2.7Å; L1073-C1077 PolarHBondContact O-SG 2.96Å; V1074-C1077 PolarHBondContact O-N 3.28Å; V1074-C1077 VanDerWaalsContact O-N 3.12Å; V1075-C1077 PolarHBondContact O-N 2.85Å; C1077-L1080 WeakPolarHBondContact O-CB 3.22Å; C1077-L1080 PolarHBondContact O-N 2.78Å; C1077-L1081 PolarHBondContact O-N 3.21Å
1078	I	85.6	Confident	81.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-46.4	179.1	-70.7	172.5	0	0	0	112.4	V1074 V1075 L1080 L1081 L1082 V1093 M1096 L1123 C1126	V1074-I1078 PolarHBondContact O-N 3.22Å; V1075-I1078 WeakPolarHBondContact O-CB 3.21Å; V1075-I1078 PolarHBondContact O-N 2.67Å; V1075-I1078 VanDerWaalsContact O-N 3.13Å; I1078-L1080 PolarHBondContact O-N 3.47Å; I1078-L1081 PolarHBondContact O-N 3.04Å; I1078-L1082 HydrophobicContact CG2-CD1 3.67Å; I1078-L1082 HydrophobicContact CG2-CG 4.08Å; I1078-L1082 WeakPolarHBondContact O-CG 3.4Å; I1078-L1082 PolarHBondContact O-N 3.37Å; I1078-V1093 HydrophobicContact CD1-CG1 4.45Å; I1078-V1093 HydrophobicContact CG1-CG2 4.29Å; I1078-V1093 HydrophobicContact CG2-CG1 3.67Å; I1078-V1093 HydrophobicContact CG2-CG2 4Å; I1078-M1096 HydrophobicContact CD1-CE 4.37Å; I1078-M1096 HydrophobicContact CG1-CE 4.19Å; I1078-L1123 HydrophobicContact CD1-CD1 3.63Å; I1078-C1126 HydrophobicContact CG2-CB 4.28Å
1079	P	81.8	Confident	81.4	Confident	25 Å²	25	45.9 Å²	45.9	16%	0.162	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-32.6	173.9	-27.8	36.2	0	0	0	114.2	V1075 A1083 C1126	V1075-P1079 VanDerWaalsContact O-CD 3.26Å; V1075-P1079 WeakPolarHBondContact O-CD 3.41Å; P1079-A1083 VanDerWaalsContact O-CB 3.22Å; P1079-A1083 WeakPolarHBondContact O-CB 3.33Å; P1079-A1083 PolarHBondContact O-N 3.4Å; P1079-C1126 HydrophobicContact CG-CB 4.1Å
1080	L	78.3	Confident	81.2	Confident	40 Å²	40	48.6 Å²	48.6	21%	0.209	26%	0.255	C	S	.	.	H	α-helix	trans	-74.9	-26.9	-179.3	-56.5	177.3	0	0	0	112.8	I1013 C1077 I1078 F1133	I1013-L1080 HydrophobicContact CG2-CD1 4.28Å; C1077-L1080 WeakPolarHBondContact O-CB 3.22Å; C1077-L1080 PolarHBondContact O-N 2.78Å; I1078-L1080 PolarHBondContact O-N 3.47Å; L1080-F1133 HydrophobicContact CD1-CD2 3.9Å; L1080-F1133 HydrophobicContact CD1-CE2 3.96Å
1081	L	78.9	Confident	81	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-75.5	-51.9	168.5	-93.3	67.8	0	0	0	110.7	R1040 R1041 L1044 C1077 I1078 A1083 Q1084 D1089 V1093	R1040-L1081 HydrophobicContact CG-CD1 4.47Å; R1041-L1081 HydrophobicContact CG-CD2 4.39Å; L1044-L1081 HydrophobicContact CD1-CD1 3.51Å; L1044-L1081 HydrophobicContact CD1-CD2 3.56Å; L1044-L1081 HydrophobicContact CD1-CG 4.2Å; C1077-L1081 PolarHBondContact O-N 3.21Å; I1078-L1081 PolarHBondContact O-N 3.04Å; L1081-A1083 VanDerWaalsContact C-N 3.26Å; L1081-A1083 PolarHBondContact O-N 3.02Å; L1081-Q1084 PolarHBondContact O-N 2.84Å; L1081-D1089 HydrophobicContact CB-CB 4.25Å; L1081-D1089 HydrophobicContact CD2-CB 4.41Å; L1081-D1089 HydrophobicContact CG-CB 4.37Å; L1081-V1093 HydrophobicContact CD2-CG2 4.38Å
1082	L	78.4	Confident	81	Confident	61 Å²	61	51.4 Å²	51.4	32%	0.319	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-26.4	-174.6	-66.1	-179.4	0	0	0	113.5	I1078 Q1084 E1085 L1090 V1093	I1078-L1082 HydrophobicContact CG2-CD1 3.67Å; I1078-L1082 HydrophobicContact CG2-CG 4.08Å; I1078-L1082 WeakPolarHBondContact O-CG 3.4Å; I1078-L1082 PolarHBondContact O-N 3.37Å; L1082-Q1084 PolarHBondContact O-N 2.99Å; L1082-E1085 PolarHBondContact O-N 3.19Å; L1082-L1090 HydrophobicContact CD2-CD1 3.92Å; L1082-V1093 HydrophobicContact CD1-CG1 4.33Å; L1082-V1093 HydrophobicContact CD2-CB 4.23Å; L1082-V1093 HydrophobicContact CD2-CG1 4.33Å; L1082-V1093 HydrophobicContact CD2-CG2 4.1Å; L1082-V1093 HydrophobicContact CG-CG2 4.34Å
1083	A	70.8	Confident	81.1	Confident	80 Å²	80	45.5 Å²	45.5	66%	0.661	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	4.6	174.9	0	0	0	0	0	115	P1079 L1081	P1079-A1083 VanDerWaalsContact O-CB 3.22Å; P1079-A1083 WeakPolarHBondContact O-CB 3.33Å; P1079-A1083 PolarHBondContact O-N 3.4Å; L1081-A1083 VanDerWaalsContact C-N 3.26Å; L1081-A1083 PolarHBondContact O-N 3.02Å
1084	Q	64.1	Low	81.3	Confident	34 Å²	34	47.8 Å²	47.8	16%	0.159	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-1.8	-174.6	-50.6	-165.2	-22.5	0	0	114	L1081 L1082 A1086	L1081-Q1084 PolarHBondContact O-N 2.84Å; L1082-Q1084 PolarHBondContact O-N 2.99Å; Q1084-A1086 PolarHBondContact O-N 3.5Å
1085	E	60	Low	81.4	Confident	193 Å²	193	52.2 Å²	52.2	90%	0.902	28%	0.276	S	S	*	.			trans	53.1	16.9	175.8	-62.3	-169.9	165.4	0	0	116.4	L1082	L1082-E1085 PolarHBondContact O-N 3.19Å
1086	A	73.8	Confident	81.5	Confident	38 Å²	38	52.2 Å²	52.2	31%	0.314	28%	0.276	S	S	.	.			trans	-78.6	126.4	177.6	0	0	0	0	0	111.7	Q1084 K1088 D1089 L1090	Q1084-A1086 PolarHBondContact O-N 3.5Å; A1086-K1088 VanDerWaalsContact C-N 3.27Å; A1086-K1088 PolarHBondContact O-N 3.13Å; A1086-D1089 HydrophobicContact CB-CB 4.34Å; A1086-D1089 WeakPolarHBondContact CB-OD2 3.14Å; A1086-D1089 WeakPolarHBondContact O-CB 3.19Å; A1086-D1089 PolarHBondContact O-N 3.23Å; A1086-L1090 PolarHBondContact O-N 3.48Å; A1086-L1090 VanDerWaalsContact O-N 3.08Å
1087	E	80.8	Confident	81.8	Confident	158 Å²	158	54.6 Å²	54.6	74%	0.738	29%	0.285	S	S	*	.	H	α-helix	trans	-52.3	-42.3	179.6	-173.9	175.3	-153.6	0	0	112.7	D1089 L1090 L1091	E1087-D1089 VanDerWaalsContact C-N 3.31Å; E1087-D1089 PolarHBondContact O-N 2.66Å; E1087-L1090 PolarHBondContact O-N 2.93Å; E1087-L1091 HydrophobicContact CG-CD1 4.28Å; E1087-L1091 WeakPolarHBondContact O-CG 3.42Å; E1087-L1091 PolarHBondContact O-N 2.83Å
1088	K	82.3	Confident	82	Confident	111 Å²	111	59.4 Å²	59.4	48%	0.483	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-34.1	175.7	-62.7	-178.7	-178.6	178	0	113.2	E1034 R1041 A1086 A1092	E1034-K1088 IonicContact OE2-NZ 3.59Å; E1034-K1088 PolarHBondContact OE2-NZ 3.28Å; R1041-K1088 WeakPolarHBondContact CD-O 3.34Å; A1086-K1088 VanDerWaalsContact C-N 3.27Å; A1086-K1088 PolarHBondContact O-N 3.13Å; K1088-A1092 PolarHBondContact O-N 2.99Å
1089	D	85.1	Confident	82.3	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-78.5	-35.7	178.5	-68.7	-43.7	0	0	0	111.6	R1040 R1041 L1081 A1086 E1087 V1093	R1040-D1089 IonicContact CZ-OD1 3.8Å; R1040-D1089 IonicContact NH2-OD1 3.92Å; R1040-D1089 PolarHBondContact NH2-OD1 3.27Å; R1040-D1089 IonicContact NH2-OD2 3.87Å; R1040-D1089 PolarHBondContact NH2-OD2 2.87Å; R1041-D1089 WeakPolarHBondContact CD-OD1 3.37Å; R1041-D1089 WeakPolarHBondContact CG-OD1 3.2Å; R1041-D1089 IonicContact CZ-OD1 2.8Å; R1041-D1089 IonicContact NE-OD1 3.15Å; R1041-D1089 IonicContact NH1-OD1 2.73Å; R1041-D1089 PolarHBondContact NH1-OD1 2.94Å; R1041-D1089 IonicContact NH1-OD2 2.63Å; L1081-D1089 HydrophobicContact CB-CB 4.25Å; L1081-D1089 HydrophobicContact CD2-CB 4.41Å; L1081-D1089 HydrophobicContact CG-CB 4.37Å; A1086-D1089 HydrophobicContact CB-CB 4.34Å; A1086-D1089 WeakPolarHBondContact CB-OD2 3.14Å; A1086-D1089 WeakPolarHBondContact O-CB 3.19Å; A1086-D1089 PolarHBondContact O-N 3.23Å; E1087-D1089 VanDerWaalsContact C-N 3.31Å; E1087-D1089 PolarHBondContact O-N 2.66Å; D1089-V1093 WeakPolarHBondContact O-CG2 3.49Å; D1089-V1093 PolarHBondContact O-N 2.96Å
1090	L	85.7	Confident	82.7	Confident	78 Å²	78	62.1 Å²	62.1	41%	0.408	32%	0.317	S	S	.	.	H	α-helix	trans	-63.1	-48.9	173.6	178.3	62.1	0	0	0	111.2	L1082 A1086 E1087 A1092 V1093 E1094	L1082-L1090 HydrophobicContact CD2-CD1 3.92Å; A1086-L1090 PolarHBondContact O-N 3.48Å; A1086-L1090 VanDerWaalsContact O-N 3.08Å; E1087-L1090 PolarHBondContact O-N 2.93Å; L1090-A1092 PolarHBondContact O-N 3.49Å; L1090-V1093 PolarHBondContact O-N 3.24Å; L1090-V1093 VanDerWaalsContact O-N 3.08Å; L1090-E1094 HydrophobicContact CD1-CG 4.3Å; L1090-E1094 PolarHBondContact O-N 3.26Å
1091	L	86.7	Confident	83.2	Confident	90 Å²	90	61.9 Å²	61.9	47%	0.471	32%	0.319	S	S	.	.	H	α-helix	trans	-56.7	-46.5	178.3	-72.1	169	0	0	0	111.8	E1087 V1093 E1094 D1095	E1087-L1091 HydrophobicContact CG-CD1 4.28Å; E1087-L1091 WeakPolarHBondContact O-CG 3.42Å; E1087-L1091 PolarHBondContact O-N 2.83Å; L1091-V1093 VanDerWaalsContact C-N 3.28Å; L1091-V1093 PolarHBondContact O-N 3.25Å; L1091-E1094 CarbonylContact O-C 3.5Å; L1091-E1094 PolarHBondContact O-N 2.9Å; L1091-E1094 VanDerWaalsContact O-N 3.1Å; L1091-D1095 PolarHBondContact O-N 3.5Å
1092	A	88.3	Confident	83.7	Confident	6 Å²	6	64.6 Å²	64.6	5%	0.05	34%	0.338	C	S	.	.	H	α-helix	trans	-60.5	-35.5	176.9	0	0	0	0	0	113	R1041 L1045 K1088 L1090 M1096	R1041-A1092 HydrophobicContact CB-CB 4.45Å; R1041-A1092 HydrophobicContact CG-CB 4.22Å; L1045-A1092 HydrophobicContact CD1-CB 4.25Å; L1045-A1092 HydrophobicContact CD2-CB 4.21Å; L1045-A1092 HydrophobicContact CG-CB 4.33Å; K1088-A1092 PolarHBondContact O-N 2.99Å; L1090-A1092 PolarHBondContact O-N 3.49Å; A1092-M1096 WeakPolarHBondContact O-CG 3.38Å; A1092-M1096 PolarHBondContact O-N 2.69Å
1093	V	89	Confident	84.1	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-72.2	-36.9	174.7	171.9	0	0	0	0	111.8	I1078 L1081 L1082 D1089 L1090 L1091 M1096 R1097	I1078-V1093 HydrophobicContact CD1-CG1 4.45Å; I1078-V1093 HydrophobicContact CG1-CG2 4.29Å; I1078-V1093 HydrophobicContact CG2-CG1 3.67Å; I1078-V1093 HydrophobicContact CG2-CG2 4Å; L1081-V1093 HydrophobicContact CD2-CG2 4.38Å; L1082-V1093 HydrophobicContact CD1-CG1 4.33Å; L1082-V1093 HydrophobicContact CD2-CB 4.23Å; L1082-V1093 HydrophobicContact CD2-CG1 4.33Å; L1082-V1093 HydrophobicContact CD2-CG2 4.1Å; L1082-V1093 HydrophobicContact CG-CG2 4.34Å; D1089-V1093 WeakPolarHBondContact O-CG2 3.49Å; D1089-V1093 PolarHBondContact O-N 2.96Å; L1090-V1093 PolarHBondContact O-N 3.24Å; L1090-V1093 VanDerWaalsContact O-N 3.08Å; L1091-V1093 VanDerWaalsContact C-N 3.28Å; L1091-V1093 PolarHBondContact O-N 3.25Å; V1093-M1096 HydrophobicContact CB-CE 4.48Å; V1093-M1096 HydrophobicContact CG2-CE 4.03Å; V1093-R1097 WeakPolarHBondContact O-CG 3.48Å; V1093-R1097 PolarHBondContact O-N 2.88Å
1094	E	89.1	Confident	84.6	Confident	86 Å²	86	63.3 Å²	63.3	40%	0.402	32%	0.319	S	S	.	.	H	α-helix	trans	-67	-40.6	174.1	-70.5	-173.8	174.1	0	0	111.8	L1090 L1091 M1096 R1097 N1098	L1090-E1094 HydrophobicContact CD1-CG 4.3Å; L1090-E1094 PolarHBondContact O-N 3.26Å; L1091-E1094 CarbonylContact O-C 3.5Å; L1091-E1094 PolarHBondContact O-N 2.9Å; L1091-E1094 VanDerWaalsContact O-N 3.1Å; E1094-M1096 PolarHBondContact O-N 3Å; E1094-R1097 WeakPolarHBondContact O-CB 3.47Å; E1094-R1097 PolarHBondContact O-N 2.82Å; E1094-N1098 VanDerWaalsContact O-CB 3.28Å; E1094-N1098 WeakPolarHBondContact O-CB 3.24Å; E1094-N1098 PolarHBondContact O-N 3.06Å; E1094-N1098 PolarHBondContact O-ND2 3.06Å; E1094-N1098 VanDerWaalsContact O-ND2 3.08Å
1095	D	89.7	Confident	85	Confident	93 Å²	93	65.9 Å²	65.9	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-43.2	174.7	-75.3	-31	0	0	0	112.5	L1045 L1091 R1097 N1098 R1099	L1045-D1095 HydrophobicContact CD2-CB 4.43Å; L1091-D1095 PolarHBondContact O-N 3.5Å; D1095-R1097 PolarHBondContact O-N 3.29Å; D1095-N1098 PolarHBondContact O-N 3.38Å; D1095-R1099 WeakPolarHBondContact O-CB 3.37Å; D1095-R1099 PolarHBondContact O-N 3.4Å
1096	M	91.6	Very high	86.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.4	-46.9	172.7	-69	-171.5	-72.1	0	0	111.2	L1044 L1045 N1048 V1074 I1078 A1092 V1093 E1094 R1099 W1100	L1044-M1096 HydrophobicContact CB-CE 4.43Å; L1044-M1096 HydrophobicContact CB-SD 4.24Å; L1045-M1096 HydrophobicContact CD2-CG 3.89Å; N1048-M1096 HydrophobicContact CB-CG 3.77Å; N1048-M1096 HydrophobicContact CB-SD 3.83Å; V1074-M1096 HydrophobicContact CG1-CE 4.38Å; V1074-M1096 HydrophobicContact CG1-SD 3.62Å; I1078-M1096 HydrophobicContact CD1-CE 4.37Å; I1078-M1096 HydrophobicContact CG1-CE 4.19Å; A1092-M1096 WeakPolarHBondContact O-CG 3.38Å; A1092-M1096 PolarHBondContact O-N 2.69Å; V1093-M1096 HydrophobicContact CB-CE 4.48Å; V1093-M1096 HydrophobicContact CG2-CE 4.03Å; E1094-M1096 PolarHBondContact O-N 3Å; M1096-R1099 PolarHBondContact O-N 2.94Å; M1096-W1100 VanDerWaalsContact O-CD1 3.32Å; M1096-W1100 PolarHBondContact O-N 2.76Å
1097	R	91.6	Very high	86.1	Confident	51 Å²	51	69.4 Å²	69.4	19%	0.192	37%	0.365	C	S	.	.	H	α-helix	trans	-61.5	-46.2	176.7	-75.9	167.1	169.2	179.9	-5.8	112.3	V1093 E1094 D1095 R1099 W1100 C1101 L1123 L1124 C1126	V1093-R1097 WeakPolarHBondContact O-CG 3.48Å; V1093-R1097 PolarHBondContact O-N 2.88Å; E1094-R1097 WeakPolarHBondContact O-CB 3.47Å; E1094-R1097 PolarHBondContact O-N 2.82Å; D1095-R1097 PolarHBondContact O-N 3.29Å; R1097-R1099 VanDerWaalsContact C-N 3.33Å; R1097-R1099 PolarHBondContact O-N 3.18Å; R1097-W1100 PolarHBondContact O-N 3.24Å; R1097-C1101 VanDerWaalsContact O-CB 3.26Å; R1097-C1101 WeakPolarHBondContact O-CB 3.43Å; R1097-C1101 PolarHBondContact O-N 2.89Å; R1097-C1101 PolarHBondContact O-SG 3.06Å; R1097-C1101 VanDerWaalsContact O-SG 3.33Å; R1097-L1123 HydrophobicContact CG-CG 4.03Å; R1097-L1123 PolarHBondContact NE-O 2.94Å; R1097-L1123 PolarHBondContact NH2-O 3.47Å; R1097-L1123 VanDerWaalsContact NH2-O 3.16Å; R1097-L1124 HydrophobicContact CB-CD2 4.45Å; R1097-L1124 HydrophobicContact CG-CD2 4.21Å; R1097-L1124 PolarHBondContact NH2-O 3.41Å; R1097-C1126 PolarHBondContact NH2-SG 3.07Å; R1097-C1126 VanDerWaalsContact NH2-SG 3.45Å
1098	N	90.4	Very high	86.4	Confident	101 Å²	101	64.5 Å²	64.5	54%	0.54	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-40.8	179.7	-72.1	-30.6	0	0	0	111.3	E1094 D1095 C1101 S1102	E1094-N1098 VanDerWaalsContact O-CB 3.28Å; E1094-N1098 WeakPolarHBondContact O-CB 3.24Å; E1094-N1098 PolarHBondContact O-N 3.06Å; E1094-N1098 PolarHBondContact O-ND2 3.06Å; E1094-N1098 VanDerWaalsContact O-ND2 3.08Å; D1095-N1098 PolarHBondContact O-N 3.38Å; N1098-C1101 PolarHBondContact O-N 3.18Å; N1098-S1102 WeakPolarHBondContact O-CB 3.33Å; N1098-S1102 PolarHBondContact O-N 3.38Å
1099	R	91.5	Very high	86.4	Confident	82 Å²	82	65.2 Å²	65.2	31%	0.309	35%	0.347	S	S	.	.	H	α-helix	trans	-59	-49.5	176.5	-179.4	55.5	166.3	127.6	-0.1	112.2	A1052 E1056 D1095 M1096 R1097 S1102 Y1103	A1052-R1099 HydrophobicContact CB-CG 4.26Å; E1056-R1099 IonicContact OE1-CZ 2.73Å; E1056-R1099 VanDerWaalsContact OE1-CZ 3.27Å; E1056-R1099 IonicContact OE1-NH1 3.54Å; E1056-R1099 PolarHBondContact OE1-NH1 3.03Å; E1056-R1099 IonicContact OE1-NH2 3.94Å; E1056-R1099 PolarHBondContact OE1-NH2 3.17Å; E1056-R1099 IonicContact OE2-CZ 2.75Å; E1056-R1099 IonicContact OE2-NH1 2.66Å; E1056-R1099 IonicContact OE2-NH2 3.94Å; E1056-R1099 PolarHBondContact OE2-NH2 2.79Å; D1095-R1099 WeakPolarHBondContact O-CB 3.37Å; D1095-R1099 PolarHBondContact O-N 3.4Å; M1096-R1099 PolarHBondContact O-N 2.94Å; R1097-R1099 VanDerWaalsContact C-N 3.33Å; R1097-R1099 PolarHBondContact O-N 3.18Å; R1099-S1102 WeakPolarHBondContact O-CB 3.44Å; R1099-S1102 PolarHBondContact O-N 3.16Å; R1099-S1102 PolarHBondContact O-OG 2.97Å; R1099-Y1103 PolarHBondContact NH1-OH 3.06Å; R1099-Y1103 VanDerWaalsContact NH1-OH 3.1Å
1100	W	91.2	Very high	86.3	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-74.7	-36	179.5	-71.5	93.6	0	0	0	113.3	N1048 A1051 A1052 F1055 L1067 M1070 M1096 R1097 S1102 Y1103 L1116 F1119 L1120 L1123	N1048-W1100 VanDerWaalsContact OD1-CD1 3.27Å; N1048-W1100 PolarHBondContact OD1-NE1 2.98Å; A1051-W1100 HydrophobicContact CB-CZ2 4.07Å; A1052-W1100 HydrophobicContact CB-CZ2 4.23Å; F1055-W1100 HydrophobicContact CB-CH2 3.69Å; F1055-W1100 HydrophobicContact CB-CZ3 3.82Å; F1055-W1100 HydrophobicContact CD1-CZ3 4.05Å; F1055-W1100 HydrophobicContact CD2-CH2 4.32Å; F1055-W1100 AromaticContact CD2-CZ3 3.82Å; F1055-W1100 HydrophobicContact CD2-CZ3 3.82Å; F1055-W1100 HydrophobicContact CE2-CZ3 4.47Å; F1055-W1100 HydrophobicContact CG-CH2 4.01Å; F1055-W1100 AromaticContact CG-CZ3 3.61Å; F1055-W1100 HydrophobicContact CG-CZ3 3.61Å; L1067-W1100 HydrophobicContact CD2-CH2 4.01Å; L1067-W1100 HydrophobicContact CD2-CZ3 3.9Å; M1070-W1100 HydrophobicContact CG-CH2 4.36Å; M1070-W1100 HydrophobicContact CG-CZ2 3.62Å; M1070-W1100 HydrophobicContact SD-CZ2 4.14Å; M1096-W1100 VanDerWaalsContact O-CD1 3.32Å; M1096-W1100 PolarHBondContact O-N 2.76Å; R1097-W1100 PolarHBondContact O-N 3.24Å; W1100-S1102 PolarHBondContact O-N 3.38Å; W1100-Y1103 HydrophobicContact CD2-CE2 4.15Å; W1100-Y1103 HydrophobicContact CE3-CD2 4.01Å; W1100-Y1103 AromaticContact CE3-CE2 3.7Å; W1100-Y1103 HydrophobicContact CE3-CE2 3.7Å; W1100-Y1103 HydrophobicContact CZ3-CE2 4.13Å; W1100-Y1103 WeakPolarHBondContact O-CD2 3.47Å; W1100-Y1103 PolarHBondContact O-N 3.41Å; W1100-L1116 HydrophobicContact CE3-CD1 4.03Å; W1100-F1119 HydrophobicContact CD2-CD1 4.24Å; W1100-F1119 AromaticContact CD2-CE1 3.64Å; W1100-F1119 HydrophobicContact CD2-CE1 3.64Å; W1100-F1119 AromaticContact CE2-CE1 3.99Å; W1100-F1119 AromaticContact CE3-CD1 3.92Å; W1100-F1119 HydrophobicContact CE3-CD1 3.92Å; W1100-F1119 AromaticContact CE3-CE1 3.8Å; W1100-F1119 HydrophobicContact CE3-CE1 3.8Å; W1100-F1119 AromaticContact CG-CE1 3.95Å; W1100-F1119 HydrophobicContact CG-CE1 3.95Å; W1100-F1119 HydrophobicContact CZ2-CE1 4.47Å; W1100-F1119 HydrophobicContact CZ3-CD1 4.26Å; W1100-F1119 HydrophobicContact CZ3-CE1 4.28Å; W1100-L1120 HydrophobicContact CB-CD2 3.83Å; W1100-L1123 HydrophobicContact CB-CD2 3.66Å; W1100-L1123 HydrophobicContact CG-CD2 3.76Å
1101	C	89.3	Confident	86.1	Confident	36 Å²	36	67.4 Å²	67.4	24%	0.243	37%	0.37	C	S	.	.	H	α-helix	trans	-64.8	-25.5	172.8	-74.1	0	0	0	0	112.7	R1097 N1098 Y1103 L1104	R1097-C1101 VanDerWaalsContact O-CB 3.26Å; R1097-C1101 WeakPolarHBondContact O-CB 3.43Å; R1097-C1101 PolarHBondContact O-N 2.89Å; R1097-C1101 PolarHBondContact O-SG 3.06Å; R1097-C1101 VanDerWaalsContact O-SG 3.33Å; N1098-C1101 PolarHBondContact O-N 3.18Å; C1101-Y1103 PolarHBondContact O-N 3.27Å; C1101-L1104 HydrophobicContact CB-CD1 4.48Å; C1101-L1104 VanDerWaalsContact O-CB 3.28Å; C1101-L1104 WeakPolarHBondContact O-CB 3.34Å; C1101-L1104 PolarHBondContact O-N 2.79Å
1102	S	88.3	Confident	86.1	Confident	57 Å²	57	63.8 Å²	63.8	40%	0.399	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.9	178.4	78	0	0	0	0	113.9	N1098 R1099 W1100 L1104 Q1106	N1098-S1102 WeakPolarHBondContact O-CB 3.33Å; N1098-S1102 PolarHBondContact O-N 3.38Å; R1099-S1102 WeakPolarHBondContact O-CB 3.44Å; R1099-S1102 PolarHBondContact O-N 3.16Å; R1099-S1102 PolarHBondContact O-OG 2.97Å; W1100-S1102 PolarHBondContact O-N 3.38Å; S1102-L1104 VanDerWaalsContact C-N 3.28Å; S1102-L1104 PolarHBondContact O-N 3.19Å; S1102-Q1106 PolarHBondContact O-NE2 3.4Å
1103	Y	87.3	Confident	86	Confident	6 Å²	6	68.8 Å²	68.8	2%	0.024	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.4	175.2	-57.8	-49.3	0	0	0	113.4	A1052 F1055 E1056 R1099 W1100 C1101 G1105 Q1106 M1108 L1116	A1052-Y1103 PolarHBondContact O-OH 2.76Å; F1055-Y1103 HydrophobicContact CD1-CD2 4.34Å; F1055-Y1103 HydrophobicContact CD1-CE2 4Å; F1055-Y1103 HydrophobicContact CE1-CD2 4.28Å; F1055-Y1103 HydrophobicContact CE1-CE2 4.41Å; E1056-Y1103 HydrophobicContact CG-CE1 3.86Å; E1056-Y1103 WeakPolarHBondContact CG-OH 3.36Å; E1056-Y1103 WeakPolarHBondContact OE1-CE1 3.39Å; E1056-Y1103 PolarHBondContact OE1-OH 3.23Å; R1099-Y1103 PolarHBondContact NH1-OH 3.06Å; R1099-Y1103 VanDerWaalsContact NH1-OH 3.1Å; W1100-Y1103 HydrophobicContact CD2-CE2 4.15Å; W1100-Y1103 HydrophobicContact CE3-CD2 4.01Å; W1100-Y1103 AromaticContact CE3-CE2 3.7Å; W1100-Y1103 HydrophobicContact CE3-CE2 3.7Å; W1100-Y1103 HydrophobicContact CZ3-CE2 4.13Å; W1100-Y1103 WeakPolarHBondContact O-CD2 3.47Å; W1100-Y1103 PolarHBondContact O-N 3.41Å; C1101-Y1103 PolarHBondContact O-N 3.27Å; Y1103-G1105 PolarHBondContact O-N 3.22Å; Y1103-Q1106 PolarHBondContact O-N 3.48Å; Y1103-M1108 WeakPolarHBondContact O-CE 3.29Å; Y1103-L1116 HydrophobicContact CD2-CD1 4.09Å
1104	L	81.2	Confident	85.9	Confident	109 Å²	109	75.2 Å²	75.2	57%	0.571	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	105.7	178.3	-68.9	173	0	0	0	111	C1101 S1102 L1120	C1101-L1104 HydrophobicContact CB-CD1 4.48Å; C1101-L1104 VanDerWaalsContact O-CB 3.28Å; C1101-L1104 WeakPolarHBondContact O-CB 3.34Å; C1101-L1104 PolarHBondContact O-N 2.79Å; S1102-L1104 VanDerWaalsContact C-N 3.28Å; S1102-L1104 PolarHBondContact O-N 3.19Å; L1104-L1120 HydrophobicContact CD1-CD1 4.03Å; L1104-L1120 HydrophobicContact CD2-CD1 3.57Å; L1104-L1120 HydrophobicContact CG-CD1 3.8Å
1105	G	71.6	Confident	85.8	Confident	87 Å²	87	73.7 Å²	73.7	90%	0.897	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	5.2	-179.6	0	0	0	0	0	114.8	Y1103	Y1103-G1105 PolarHBondContact O-N 3.22Å
1106	Q	83.3	Confident	85.8	Confident	102 Å²	102	69.4 Å²	69.4	48%	0.477	37%	0.373	S	S	.	.	S	Bend	trans	-79.3	151.6	164.6	-58	-170.6	27.3	0	0	110.5	S1102 Y1103	S1102-Q1106 PolarHBondContact O-NE2 3.4Å; Y1103-Q1106 PolarHBondContact O-N 3.48Å
1107	E	75.3	Confident	85.5	Confident	203 Å²	203	73.3 Å²	73.3	95%	0.949	40%	0.397	S	S	*	.			trans	-76.5	122	172.4	-64.8	-172.4	160.2	0	0	109.7
1108	M	85.1	Confident	85.3	Confident	55 Å²	55	76.6 Å²	76.6	27%	0.271	42%	0.418	S	S	.	.			trans	-147.3	170.8	-179.5	70.4	-178.7	70	0	0	111.4	Y1103 L1112 Q1113 L1116	Y1103-M1108 WeakPolarHBondContact O-CE 3.29Å; M1108-L1112 HydrophobicContact CG-CB 4.45Å; M1108-L1112 HydrophobicContact SD-CB 4.1Å; M1108-Q1113 HydrophobicContact CG-CB 3.96Å; M1108-Q1113 HydrophobicContact SD-CB 3.89Å; M1108-Q1113 HydrophobicContact SD-CG 4.4Å; M1108-L1116 HydrophobicContact CE-CD2 3.93Å; M1108-L1116 HydrophobicContact SD-CD2 4.28Å
1109	E	83.9	Confident	85.3	Confident	126 Å²	126	72 Å²	72	59%	0.589	39%	0.394	S	S	*	.			trans	-69.8	148.1	174.8	-57.3	-160	147.8	0	0	112.4	N1111 L1112 Q1113	E1109-N1111 VanDerWaalsContact C-N 3.33Å; E1109-N1111 WeakPolarHBondContact CB-OD1 3.49Å; E1109-N1111 PolarHBondContact O-N 2.87Å; E1109-L1112 HydrophobicContact CB-CD1 4.21Å; E1109-L1112 HydrophobicContact CB-CG 4.26Å; E1109-L1112 WeakPolarHBondContact O-CB 3.44Å; E1109-L1112 PolarHBondContact O-N 2.63Å; E1109-Q1113 PolarHBondContact O-N 3.03Å
1110	A	81.9	Confident	85.1	Confident	76 Å²	76	68.6 Å²	68.6	63%	0.628	38%	0.381	S	S	*	.	H	α-helix	trans	-64.5	-32.7	-169.8	0	0	0	0	0	114.1	Q1113 E1114	A1110-Q1113 PolarHBondContact O-N 3.46Å; A1110-E1114 WeakPolarHBondContact O-CB 3.46Å; A1110-E1114 PolarHBondContact O-N 3.27Å
1111	N	82.7	Confident	84.9	Confident	49 Å²	49	72.3 Å²	72.3	26%	0.262	41%	0.405	S	S	.	.	H	α-helix	trans	-66	-37	172.9	58.5	-40.4	0	0	0	112.4	E1060 E1109 K1115	E1060-N1111 PolarHBondContact OE1-ND2 3.11Å; E1109-N1111 VanDerWaalsContact C-N 3.33Å; E1109-N1111 WeakPolarHBondContact CB-OD1 3.49Å; E1109-N1111 PolarHBondContact O-N 2.87Å; N1111-K1115 WeakPolarHBondContact O-CB 3.43Å; N1111-K1115 WeakPolarHBondContact O-CG 3.46Å; N1111-K1115 PolarHBondContact O-N 2.78Å; N1111-K1115 VanDerWaalsContact O-N 3.11Å
1112	L	85.3	Confident	84.7	Confident	15 Å²	15	73.8 Å²	73.8	8%	0.079	41%	0.407	C	S	.	.	H	α-helix	trans	-69.6	-41.3	174.7	-55.2	178.6	0	0	0	110.3	F1055 V1063 M1108 E1109 K1115 L1116	F1055-L1112 HydrophobicContact CZ-CB 4.11Å; V1063-L1112 HydrophobicContact CB-CD2 4.39Å; V1063-L1112 HydrophobicContact CG1-CD2 3.9Å; V1063-L1112 HydrophobicContact CG2-CD2 3.69Å; M1108-L1112 HydrophobicContact CG-CB 4.45Å; M1108-L1112 HydrophobicContact SD-CB 4.1Å; E1109-L1112 HydrophobicContact CB-CD1 4.21Å; E1109-L1112 HydrophobicContact CB-CG 4.26Å; E1109-L1112 WeakPolarHBondContact O-CB 3.44Å; E1109-L1112 PolarHBondContact O-N 2.63Å; L1112-K1115 PolarHBondContact O-N 2.92Å; L1112-L1116 VanDerWaalsContact O-CB 3.31Å; L1112-L1116 WeakPolarHBondContact O-CB 3.3Å; L1112-L1116 PolarHBondContact O-N 3.14Å
1113	Q	86.3	Confident	84.6	Confident	110 Å²	110	71 Å²	71	51%	0.514	39%	0.389	S	S	.	.	H	α-helix	trans	-64	-40.1	177.2	-166	176.1	15.6	0	0	112.5	M1108 E1109 A1110 T1117	M1108-Q1113 HydrophobicContact CG-CB 3.96Å; M1108-Q1113 HydrophobicContact SD-CB 3.89Å; M1108-Q1113 HydrophobicContact SD-CG 4.4Å; E1109-Q1113 PolarHBondContact O-N 3.03Å; A1110-Q1113 PolarHBondContact O-N 3.46Å; Q1113-T1117 WeakPolarHBondContact O-CB 3.46Å; Q1113-T1117 PolarHBondContact O-N 3.48Å; Q1113-T1117 PolarHBondContact O-OG1 2.83Å
1114	E	87.1	Confident	84.4	Confident	135 Å²	135	75 Å²	75	63%	0.631	41%	0.41	S	S	*	.	H	α-helix	trans	-61.4	-54.6	173.5	-173.7	169.6	-153.9	0	0	110.8	A1110 L1116 T1117 D1118	A1110-E1114 WeakPolarHBondContact O-CB 3.46Å; A1110-E1114 PolarHBondContact O-N 3.27Å; E1114-L1116 VanDerWaalsContact C-N 3.33Å; E1114-L1116 PolarHBondContact O-N 3.11Å; E1114-T1117 WeakPolarHBondContact O-CB 3.42Å; E1114-T1117 PolarHBondContact O-N 2.95Å; E1114-D1118 PolarHBondContact O-N 3.42Å
1115	K	88.1	Confident	84.2	Confident	54 Å²	54	74.2 Å²	74.2	24%	0.235	41%	0.406	C	S	.	.	H	α-helix	trans	-58.4	-38.7	178	-74.7	173.8	174.2	175.6	0	113.9	E1060 V1063 L1067 N1111 L1112 F1119	E1060-K1115 IonicContact OE1-NZ 3.41Å; E1060-K1115 PolarHBondContact OE1-NZ 3.02Å; E1060-K1115 IonicContact OE2-NZ 3.73Å; E1060-K1115 PolarHBondContact OE2-NZ 2.97Å; V1063-K1115 HydrophobicContact CG1-CD 3.83Å; L1067-K1115 HydrophobicContact CD1-CB 3.88Å; L1067-K1115 HydrophobicContact CD1-CD 4.29Å; L1067-K1115 HydrophobicContact CD1-CG 4.44Å; N1111-K1115 WeakPolarHBondContact O-CB 3.43Å; N1111-K1115 WeakPolarHBondContact O-CG 3.46Å; N1111-K1115 PolarHBondContact O-N 2.78Å; N1111-K1115 VanDerWaalsContact O-N 3.11Å; L1112-K1115 PolarHBondContact O-N 2.92Å; K1115-F1119 WeakPolarHBondContact O-CB 3.38Å; K1115-F1119 PolarHBondContact O-N 3.37Å; K1115-F1119 VanDerWaalsContact O-N 3.09Å
1116	L	88.6	Confident	84	Confident	3 Å²	3	70.6 Å²	70.6	2%	0.016	37%	0.367	C	S	.	.	H	α-helix	trans	-65.6	-40.7	175.1	-179.4	66.6	0	0	0	111.7	F1055 W1100 Y1103 M1108 L1112 E1114 D1118 F1119 L1120	F1055-L1116 HydrophobicContact CE2-CB 4.45Å; F1055-L1116 HydrophobicContact CZ-CB 3.89Å; F1055-L1116 HydrophobicContact CZ-CD1 4.38Å; W1100-L1116 HydrophobicContact CE3-CD1 4.03Å; Y1103-L1116 HydrophobicContact CD2-CD1 4.09Å; M1108-L1116 HydrophobicContact CE-CD2 3.93Å; M1108-L1116 HydrophobicContact SD-CD2 4.28Å; L1112-L1116 VanDerWaalsContact O-CB 3.31Å; L1112-L1116 WeakPolarHBondContact O-CB 3.3Å; L1112-L1116 PolarHBondContact O-N 3.14Å; E1114-L1116 VanDerWaalsContact C-N 3.33Å; E1114-L1116 PolarHBondContact O-N 3.11Å; L1116-D1118 VanDerWaalsContact C-N 3.33Å; L1116-F1119 PolarHBondContact O-N 3.39Å; L1116-L1120 HydrophobicContact CD1-CD1 3.87Å; L1116-L1120 HydrophobicContact CD1-CD2 4.32Å; L1116-L1120 HydrophobicContact CD1-CG 3.85Å; L1116-L1120 HydrophobicContact CD2-CD1 4.34Å; L1116-L1120 HydrophobicContact CG-CD1 3.74Å; L1116-L1120 HydrophobicContact CG-CG 4.16Å; L1116-L1120 WeakPolarHBondContact O-CG 3.45Å; L1116-L1120 PolarHBondContact O-N 2.93Å
1117	T	86.3	Confident	82.8	Confident	83 Å²	83	70 Å²	70	51%	0.509	37%	0.374	S	S	.	.	H	α-helix	trans	-65.7	-37	179.3	-57.2	0	0	0	0	111.6	Q1113 E1114 P1121	Q1113-T1117 WeakPolarHBondContact O-CB 3.46Å; Q1113-T1117 PolarHBondContact O-N 3.48Å; Q1113-T1117 PolarHBondContact O-OG1 2.83Å; E1114-T1117 WeakPolarHBondContact O-CB 3.42Å; E1114-T1117 PolarHBondContact O-N 2.95Å; T1117-P1121 WeakPolarHBondContact O-CD 3.48Å
1118	D	87.3	Confident	81.7	Confident	120 Å²	120	66 Å²	66	64%	0.642	36%	0.363	S	S	*	.	H	α-helix	trans	-72.4	-31.3	174.2	-79.2	-7.1	0	0	0	113.3	E1114 L1116	E1114-D1118 PolarHBondContact O-N 3.42Å; L1116-D1118 VanDerWaalsContact C-N 3.33Å
1119	F	89.2	Confident	80.2	Confident	5 Å²	5	65.9 Å²	65.9	2%	0.022	36%	0.362	C	S	.	.	H	α-helix	trans	-81.2	-47	-177.8	171.7	-118	0	0	0	113.8	L1067 M1070 N1071 V1075 W1100 K1115 L1116 K1122 L1123	L1067-F1119 HydrophobicContact CD2-CB 4.01Å; L1067-F1119 HydrophobicContact CD2-CD1 3.85Å; L1067-F1119 HydrophobicContact CD2-CD2 4.4Å; L1067-F1119 HydrophobicContact CD2-CG 3.8Å; M1070-F1119 HydrophobicContact CB-CE1 4.38Å; M1070-F1119 HydrophobicContact CB-CE2 3.63Å; M1070-F1119 HydrophobicContact CB-CZ 3.5Å; M1070-F1119 VanDerWaalsContact CB-CZ 3.5Å; M1070-F1119 HydrophobicContact CE-CE1 4.49Å; M1070-F1119 HydrophobicContact CE-CZ 3.85Å; M1070-F1119 HydrophobicContact CG-CE1 4.43Å; M1070-F1119 HydrophobicContact CG-CZ 3.92Å; N1071-F1119 WeakPolarHBondContact ND2-CD2 3.34Å; V1075-F1119 HydrophobicContact CG2-CE2 4.02Å; V1075-F1119 HydrophobicContact CG2-CZ 4.28Å; W1100-F1119 HydrophobicContact CD2-CD1 4.24Å; W1100-F1119 AromaticContact CD2-CE1 3.64Å; W1100-F1119 HydrophobicContact CD2-CE1 3.64Å; W1100-F1119 AromaticContact CE2-CE1 3.99Å; W1100-F1119 AromaticContact CE3-CD1 3.92Å; W1100-F1119 HydrophobicContact CE3-CD1 3.92Å; W1100-F1119 AromaticContact CE3-CE1 3.8Å; W1100-F1119 HydrophobicContact CE3-CE1 3.8Å; W1100-F1119 AromaticContact CG-CE1 3.95Å; W1100-F1119 HydrophobicContact CG-CE1 3.95Å; W1100-F1119 HydrophobicContact CZ2-CE1 4.47Å; W1100-F1119 HydrophobicContact CZ3-CD1 4.26Å; W1100-F1119 HydrophobicContact CZ3-CE1 4.28Å; K1115-F1119 WeakPolarHBondContact O-CB 3.38Å; K1115-F1119 PolarHBondContact O-N 3.37Å; K1115-F1119 VanDerWaalsContact O-N 3.09Å; L1116-F1119 PolarHBondContact O-N 3.39Å; F1119-K1122 WeakPolarHBondContact O-CB 3.49Å; F1119-K1122 PolarHBondContact O-N 2.89Å; F1119-L1123 HydrophobicContact CE1-CB 4.32Å; F1119-L1123 HydrophobicContact CE1-CD2 3.98Å; F1119-L1123 HydrophobicContact CE2-CB 4.47Å; F1119-L1123 HydrophobicContact CZ-CB 3.97Å; F1119-L1123 HydrophobicContact CZ-CD1 4.46Å; F1119-L1123 HydrophobicContact CZ-CD2 4.09Å; F1119-L1123 HydrophobicContact CZ-CG 4.4Å
1120	L	88	Confident	78.8	Confident	10 Å²	10	66.1 Å²	66.1	5%	0.052	37%	0.365	C	S	.	.	H	α-helix	trans	-52.5	-39	-172	-79.3	170.7	0	0	0	115.4	W1100 L1104 L1116 K1122 L1123 L1124	W1100-L1120 HydrophobicContact CB-CD2 3.83Å; L1104-L1120 HydrophobicContact CD1-CD1 4.03Å; L1104-L1120 HydrophobicContact CD2-CD1 3.57Å; L1104-L1120 HydrophobicContact CG-CD1 3.8Å; L1116-L1120 HydrophobicContact CD1-CD1 3.87Å; L1116-L1120 HydrophobicContact CD1-CD2 4.32Å; L1116-L1120 HydrophobicContact CD1-CG 3.85Å; L1116-L1120 HydrophobicContact CD2-CD1 4.34Å; L1116-L1120 HydrophobicContact CG-CD1 3.74Å; L1116-L1120 HydrophobicContact CG-CG 4.16Å; L1116-L1120 WeakPolarHBondContact O-CG 3.45Å; L1116-L1120 PolarHBondContact O-N 2.93Å; L1120-K1122 PolarHBondContact O-N 3.01Å; L1120-L1123 PolarHBondContact O-N 3.36Å; L1120-L1124 WeakPolarHBondContact O-CG 3.34Å; L1120-L1124 PolarHBondContact O-N 2.96Å; L1120-L1124 VanDerWaalsContact O-N 3.14Å
1121	P	86.4	Confident	77.5	Confident	78 Å²	78	67.6 Å²	67.6	51%	0.506	36%	0.357	S	S	.	.	H	α-helix	trans	-54.9	-35	176.8	-28.6	36.7	0	0	0	113.8	T1117 D1125	T1117-P1121 WeakPolarHBondContact O-CD 3.48Å; P1121-D1125 PolarHBondContact O-N 3.42Å
1122	K	85.2	Confident	76.1	Confident	66 Å²	66	68.4 Å²	68.4	29%	0.287	37%	0.367	S	S	.	.	H	α-helix	trans	-73.5	-39.6	-178.3	-58.5	171.3	164.8	-127.9	0	112.9	N1071 V1075 F1119 L1120 L1124 D1125 C1126 E1129	N1071-K1122 WeakPolarHBondContact OD1-CD 3.42Å; N1071-K1122 WeakPolarHBondContact OD1-CE 3.49Å; N1071-K1122 PolarHBondContact OD1-NZ 3.28Å; V1075-K1122 HydrophobicContact CG1-CB 4.48Å; F1119-K1122 WeakPolarHBondContact O-CB 3.49Å; F1119-K1122 PolarHBondContact O-N 2.89Å; L1120-K1122 PolarHBondContact O-N 3.01Å; K1122-L1124 VanDerWaalsContact C-N 3.27Å; K1122-L1124 PolarHBondContact O-N 3.02Å; K1122-D1125 CarbonylContact O-C 3.32Å; K1122-C1126 PolarHBondContact O-N 2.93Å; K1122-C1126 PolarHBondContact O-SG 3.34Å; K1122-C1126 VanDerWaalsContact O-SG 3.41Å; K1122-E1129 WeakPolarHBondContact CE-OE1 3.46Å; K1122-E1129 IonicContact NZ-OE1 3.79Å; K1122-E1129 PolarHBondContact NZ-OE1 2.98Å; K1122-E1129 IonicContact NZ-OE2 2.9Å
1123	L	85.7	Confident	75.1	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-70.1	-27.7	177.8	-175.3	64.1	0	0	0	111.8	M1070 V1075 I1078 R1097 W1100 F1119 L1120 C1126	M1070-L1123 HydrophobicContact CE-CD1 4.01Å; V1075-L1123 HydrophobicContact CG2-CB 4.4Å; V1075-L1123 HydrophobicContact CG2-CD1 3.9Å; I1078-L1123 HydrophobicContact CD1-CD1 3.63Å; R1097-L1123 HydrophobicContact CG-CG 4.03Å; R1097-L1123 PolarHBondContact NE-O 2.94Å; R1097-L1123 PolarHBondContact NH2-O 3.47Å; R1097-L1123 VanDerWaalsContact NH2-O 3.16Å; W1100-L1123 HydrophobicContact CB-CD2 3.66Å; W1100-L1123 HydrophobicContact CG-CD2 3.76Å; F1119-L1123 HydrophobicContact CE1-CB 4.32Å; F1119-L1123 HydrophobicContact CE1-CD2 3.98Å; F1119-L1123 HydrophobicContact CE2-CB 4.47Å; F1119-L1123 HydrophobicContact CZ-CB 3.97Å; F1119-L1123 HydrophobicContact CZ-CD1 4.46Å; F1119-L1123 HydrophobicContact CZ-CD2 4.09Å; F1119-L1123 HydrophobicContact CZ-CG 4.4Å; L1120-L1123 PolarHBondContact O-N 3.36Å; L1123-C1126 PolarHBondContact O-SG 3.38Å
1124	L	83.8	Confident	73.6	Confident	90 Å²	90	72.3 Å²	72.3	47%	0.471	38%	0.384	S	S	.	.	H	α-helix	trans	-87.6	-44.3	177.9	-64.5	173.9	0	0	0	112.3	R1097 L1120 K1122	R1097-L1124 HydrophobicContact CB-CD2 4.45Å; R1097-L1124 HydrophobicContact CG-CD2 4.21Å; R1097-L1124 PolarHBondContact NH2-O 3.41Å; L1120-L1124 WeakPolarHBondContact O-CG 3.34Å; L1120-L1124 PolarHBondContact O-N 2.96Å; L1120-L1124 VanDerWaalsContact O-N 3.14Å; K1122-L1124 VanDerWaalsContact C-N 3.27Å; K1122-L1124 PolarHBondContact O-N 3.02Å
1125	D	78.1	Confident	72.6	Confident	92 Å²	92	72.5 Å²	72.5	49%	0.492	39%	0.389	S	S	.	.			trans	-109	67.3	178.3	-167.3	1.2	0	0	0	112.5	P1121 K1122 S1127	P1121-D1125 PolarHBondContact O-N 3.42Å; K1122-D1125 CarbonylContact O-C 3.32Å; D1125-S1127 PolarHBondContact O-N 3.4Å; D1125-S1127 VanDerWaalsContact OD1-CB 3.24Å; D1125-S1127 WeakPolarHBondContact OD1-CB 3.43Å; D1125-S1127 PolarHBondContact OD1-N 3.46Å; D1125-S1127 PolarHBondContact OD1-OG 2.85Å
1126	C	67.1	Low	72	Confident	10 Å²	10	72.9 Å²	72.9	7%	0.068	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	5.1	177.1	-43.6	0	0	0	0	113.9	I1078 P1079 R1097 K1122 L1123 T1128	I1078-C1126 HydrophobicContact CG2-CB 4.28Å; P1079-C1126 HydrophobicContact CG-CB 4.1Å; R1097-C1126 PolarHBondContact NH2-SG 3.07Å; R1097-C1126 VanDerWaalsContact NH2-SG 3.45Å; K1122-C1126 PolarHBondContact O-N 2.93Å; K1122-C1126 PolarHBondContact O-SG 3.34Å; K1122-C1126 VanDerWaalsContact O-SG 3.41Å; L1123-C1126 PolarHBondContact O-SG 3.38Å; C1126-T1128 PolarHBondContact O-N 2.84Å
1127	S	58.2	Low	71.7	Confident	91 Å²	91	73.7 Å²	73.7	64%	0.636	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.4	-173.2	71.5	0	0	0	0	114.1	D1125	D1125-S1127 PolarHBondContact O-N 3.4Å; D1125-S1127 VanDerWaalsContact OD1-CB 3.24Å; D1125-S1127 WeakPolarHBondContact OD1-CB 3.43Å; D1125-S1127 PolarHBondContact OD1-N 3.46Å; D1125-S1127 PolarHBondContact OD1-OG 2.85Å
1128	T	51.2	Low	71.3	Confident	117 Å²	117	78.7 Å²	78.7	72%	0.718	42%	0.417	S	S	*	.	S	Bend	trans	-112.1	-20.1	-175.3	55.3	0	0	0	0	114.5	C1126 M1130	C1126-T1128 PolarHBondContact O-N 2.84Å; T1128-M1130 VanDerWaalsContact C-N 3.35Å; T1128-M1130 PolarHBondContact O-N 3.23Å
1129	E	53.8	Low	71	Confident	53 Å²	53	76.6 Å²	76.6	25%	0.248	41%	0.405	C	S	.	.			trans	-94.3	30.6	-178.7	-65.6	-161.2	150.9	0	0	113.8	V1075 K1122 K1131	V1075-E1129 HydrophobicContact CG1-CB 4.5Å; K1122-E1129 WeakPolarHBondContact CE-OE1 3.46Å; K1122-E1129 IonicContact NZ-OE1 3.79Å; K1122-E1129 PolarHBondContact NZ-OE1 2.98Å; K1122-E1129 IonicContact NZ-OE2 2.9Å; E1129-K1131 PolarHBondContact O-N 3.45Å
1130	M	54.5	Low	70.5	Confident	132 Å²	132	77.9 Å²	77.9	65%	0.65	41%	0.414	S	S	*	.			trans	-71.3	74.9	174.3	-172.7	178.8	162.8	0	0	111.2	T1128 S1132	T1128-M1130 VanDerWaalsContact C-N 3.35Å; T1128-M1130 PolarHBondContact O-N 3.23Å; M1130-S1132 PolarHBondContact O-N 3.43Å; M1130-S1132 VanDerWaalsContact O-N 3.13Å
1131	K	54.3	Low	70	Confident	106 Å²	106	81.7 Å²	81.7	46%	0.461	44%	0.442	S	S	.	.			trans	-60.5	114	164.3	-74	176.4	175.9	167.3	0	108	P1076 E1129 F1133	P1076-K1131 HydrophobicContact CB-CB 4.15Å; P1076-K1131 HydrophobicContact CB-CD 4.36Å; P1076-K1131 HydrophobicContact CG-CD 4.06Å; E1129-K1131 PolarHBondContact O-N 3.45Å; K1131-F1133 PolarHBondContact O-N 3.33Å; K1131-F1133 VanDerWaalsContact O-N 3.13Å
1132	S	53.9	Low	69.8	Low	66 Å²	66	79.6 Å²	79.6	46%	0.462	42%	0.424	S	S	.	.			trans	-65.1	110.7	161.9	172.7	0	0	0	0	108.2	M1130 H1134	M1130-S1132 PolarHBondContact O-N 3.43Å; M1130-S1132 VanDerWaalsContact O-N 3.13Å; S1132-H1134 VanDerWaalsContact C-N 3.3Å; S1132-H1134 WeakPolarHBondContact CB-NE2 3.27Å; S1132-H1134 PolarHBondContact O-CD2 2.96Å; S1132-H1134 PolarHBondContact O-N 3.2Å; S1132-H1134 PolarHBondContact OG-CE1 3.29Å; S1132-H1134 PolarHBondContact OG-ND1 3.04Å; S1132-H1134 PolarHBondContact OG-NE2 3Å
1133	F	64.9	Low	69.7	Low	52 Å²	52	79 Å²	79	23%	0.228	43%	0.428	C	S	.	.			trans	-66.3	96.5	162.6	-59.5	-79.2	0	0	0	106.8	M1010 Y1014 P1076 L1080 K1131	M1010-F1133 HydrophobicContact CE-CD1 3.74Å; M1010-F1133 HydrophobicContact CE-CE1 3.48Å; M1010-F1133 VanDerWaalsContact CE-CE1 3.48Å; M1010-F1133 HydrophobicContact CE-CG 4.46Å; M1010-F1133 HydrophobicContact CE-CZ 4Å; M1010-F1133 HydrophobicContact SD-CD1 3.89Å; M1010-F1133 HydrophobicContact SD-CE1 4.2Å; M1010-F1133 HydrophobicContact SD-CG 4.11Å; Y1014-F1133 HydrophobicContact CE2-CB 4.34Å; Y1014-F1133 VanDerWaalsContact OH-C 3.3Å; Y1014-F1133 WeakPolarHBondContact OH-CB 3.29Å; Y1014-F1133 PolarHBondContact OH-O 3.49Å; P1076-F1133 HydrophobicContact CB-CE2 4.25Å; P1076-F1133 HydrophobicContact CB-CZ 3.94Å; L1080-F1133 HydrophobicContact CD1-CD2 3.9Å; L1080-F1133 HydrophobicContact CD1-CE2 3.96Å; K1131-F1133 PolarHBondContact O-N 3.33Å; K1131-F1133 VanDerWaalsContact O-N 3.13Å
1134	H	54.2	Low	69.4	Low	156 Å²	156	80.4 Å²	80.4	72%	0.722	44%	0.436	S	S	*	.			trans	-77.8	-29.5	-170.8	-82.2	-70.2	0	0	0	113.3	S1132	S1132-H1134 VanDerWaalsContact C-N 3.3Å; S1132-H1134 WeakPolarHBondContact CB-NE2 3.27Å; S1132-H1134 PolarHBondContact O-CD2 2.96Å; S1132-H1134 PolarHBondContact O-N 3.2Å; S1132-H1134 PolarHBondContact OG-CE1 3.29Å; S1132-H1134 PolarHBondContact OG-ND1 3.04Å; S1132-H1134 PolarHBondContact OG-NE2 3Å
1135	D	66.5	Low	69.3	Low	139 Å²	139	81 Å²	81	74%	0.743	44%	0.44	S	S	*	.	S	Bend	trans	-115.4	125.4	-177.2	-61.8	-55.6	0	0	0	110.5	Y1014	Y1014-D1135 PolarHBondContact OH-O 3.39Å
1136	P	74.5	Confident	69.7	Low	61 Å²	61	79.6 Å²	79.6	40%	0.396	43%	0.43	S	S	.	.			trans	-65.9	153.1	172.7	28.5	-34.1	0	0	0	111.2	Y1014	Y1014-P1136 HydrophobicContact CD1-CB 3.9Å; Y1014-P1136 HydrophobicContact CE1-CB 3.85Å; Y1014-P1136 HydrophobicContact CG-CB 4.28Å
1137	P	81.9	Confident	70.7	Confident	21 Å²	21	79.1 Å²	79.1	14%	0.136	43%	0.427	C	S	.	.			trans	-62.2	140.3	177.8	28.3	-35.4	0	0	0	110.2	L992 M1010 Y1011 Y1014 L1139	L992-P1137 HydrophobicContact CD2-CG 3.85Å; M1010-P1137 HydrophobicContact CB-CG 4.48Å; M1010-P1137 HydrophobicContact CG-CB 4.41Å; M1010-P1137 HydrophobicContact CG-CG 4.28Å; Y1011-P1137 HydrophobicContact CD1-CB 4.08Å; Y1011-P1137 HydrophobicContact CD1-CG 3.78Å; Y1011-P1137 HydrophobicContact CE1-CB 3.75Å; Y1011-P1137 HydrophobicContact CE1-CG 3.92Å; Y1011-P1137 HydrophobicContact CE2-CB 4.23Å; Y1011-P1137 HydrophobicContact CG-CB 4.44Å; Y1011-P1137 HydrophobicContact CG-CG 4.18Å; Y1014-P1137 HydrophobicContact CD2-CG 4.17Å; P1137-L1139 PolarHBondContact O-N 3.49Å
1138	K	79.5	Confident	72.1	Confident	188 Å²	188	75.5 Å²	75.5	82%	0.817	40%	0.402	S	S	*	.			trans	-57.7	111.9	-173.9	-69.3	-172.7	177.5	-175.5	0	111.1	Y1011 P1140	Y1011-K1138 PolarHBondContact OH-O 3.12Å; K1138-P1140 VanDerWaalsContact O-CD 3.32Å; K1138-P1140 WeakPolarHBondContact O-CD 3.44Å
1139	L	81.1	Confident	73.8	Confident	75 Å²	75	75 Å²	75	39%	0.393	39%	0.391	S	S	.	.			trans	-64	124.3	176.1	-57.9	-174.7	0	0	0	110.3	E988 V991 L992 P1137	E988-L1139 HydrophobicContact CB-CD1 3.97Å; E988-L1139 HydrophobicContact CG-CD1 3.82Å; V991-L1139 HydrophobicContact CG1-CB 4.36Å; V991-L1139 HydrophobicContact CG1-CD2 4.28Å; L992-L1139 HydrophobicContact CD1-CD2 4.37Å; L992-L1139 HydrophobicContact CD2-CD2 3.35Å; L992-L1139 HydrophobicContact CG-CD2 3.55Å; P1137-L1139 PolarHBondContact O-N 3.49Å
1140	P	78.7	Confident	75.7	Confident	32 Å²	32	74.3 Å²	74.3	21%	0.208	39%	0.386	C	S	.	.			trans	-69	141.7	167.6	-20.2	35.3	0	0	0	110.7	K1138 Y1142	K1138-P1140 VanDerWaalsContact O-CD 3.32Å; K1138-P1140 WeakPolarHBondContact O-CD 3.44Å; P1140-Y1142 HydrophobicContact CB-CD1 4.23Å; P1140-Y1142 HydrophobicContact CB-CE1 3.43Å; P1140-Y1142 VanDerWaalsContact CB-CE1 3.43Å; P1140-Y1142 HydrophobicContact CG-CE1 4.34Å; P1140-Y1142 WeakPolarHBondContact CG-OH 3.48Å; P1140-Y1142 PolarHBondContact O-N 3.4Å
1141	S	76.8	Confident	77.5	Confident	90 Å²	90	68.6 Å²	68.6	63%	0.629	36%	0.358	S	S	*	.			trans	-79.6	107	177.2	54.3	0	0	0	0	111
1142	Y	82.7	Confident	79.1	Confident	35 Å²	35	64.2 Å²	64.2	14%	0.137	34%	0.342	C	S	.	.			trans	-107.1	138.4	175.3	-57	-28.9	0	0	0	111.9	V991 T995 P1140 E1146 L1147 R1150	V991-Y1142 HydrophobicContact CG1-CD2 4.21Å; V991-Y1142 HydrophobicContact CG1-CE2 3.99Å; V991-Y1142 HydrophobicContact CG2-CD2 4.04Å; T995-Y1142 PolarHBondContact OG1-OH 3.2Å; P1140-Y1142 HydrophobicContact CB-CD1 4.23Å; P1140-Y1142 HydrophobicContact CB-CE1 3.43Å; P1140-Y1142 VanDerWaalsContact CB-CE1 3.43Å; P1140-Y1142 HydrophobicContact CG-CE1 4.34Å; P1140-Y1142 WeakPolarHBondContact CG-OH 3.48Å; P1140-Y1142 PolarHBondContact O-N 3.4Å; Y1142-E1146 VanDerWaalsContact CD1-CD 3.45Å; Y1142-E1146 VanDerWaalsContact CD1-OE1 3.25Å; Y1142-E1146 WeakPolarHBondContact CD1-OE1 3.4Å; Y1142-E1146 VanDerWaalsContact CD1-OE2 3.29Å; Y1142-E1146 WeakPolarHBondContact CD1-OE2 3.39Å; Y1142-L1147 HydrophobicContact CD2-CD1 4.22Å; Y1142-R1150 VanDerWaalsContact CZ-CZ 3.49Å; Y1142-R1150 PolarHBondContact OH-NH1 3.46Å; Y1142-R1150 PolarHBondContact OH-NH2 3.01Å
1143	S	81.9	Confident	80.9	Confident	53 Å²	53	68.1 Å²	68.1	37%	0.371	35%	0.347	S	S	.	.			trans	-64.4	160.9	166.9	76.8	0	0	0	0	110.4	L1145 E1146 L1147	S1143-L1145 PolarHBondContact O-N 3.08Å; S1143-E1146 PolarHBondContact O-N 3.05Å; S1143-E1146 WeakPolarHBondContact OG-CB 3.4Å; S1143-E1146 PolarHBondContact OG-N 2.96Å; S1143-E1146 VanDerWaalsContact OG-N 3.11Å; S1143-L1147 WeakPolarHBondContact O-CB 3.47Å; S1143-L1147 PolarHBondContact O-N 2.92Å
1144	T	80.6	Confident	82	Confident	29 Å²	29	65.9 Å²	65.9	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-59.2	-37.1	177.1	-55.6	0	0	0	0	111.7	L916 C1148	L916-T1144 WeakPolarHBondContact O-CG2 3.31Å; T1144-C1148 PolarHBondContact O-N 3.39Å; T1144-C1148 PolarHBondContact O-SG 3.13Å
1145	L	81.3	Confident	83.6	Confident	104 Å²	104	59.5 Å²	59.5	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-68.3	-48.8	177.4	-177	63.7	0	0	0	111.6	S1143 L1147 C1148 E1149	S1143-L1145 PolarHBondContact O-N 3.08Å; L1145-L1147 VanDerWaalsContact C-N 3.33Å; L1145-L1147 PolarHBondContact O-N 3.2Å; L1145-C1148 PolarHBondContact O-N 3.22Å; L1145-E1149 PolarHBondContact O-N 3.18Å
1146	E	85.7	Confident	84.5	Confident	61 Å²	61	54 Å²	54	29%	0.285	28%	0.283	S	S	.	.	H	α-helix	trans	-60.5	-42.7	179.9	-168.5	-158.8	161.7	0	0	111.5	Y1142 S1143 C1148 E1149 R1150	Y1142-E1146 VanDerWaalsContact CD1-CD 3.45Å; Y1142-E1146 VanDerWaalsContact CD1-OE1 3.25Å; Y1142-E1146 WeakPolarHBondContact CD1-OE1 3.4Å; Y1142-E1146 VanDerWaalsContact CD1-OE2 3.29Å; Y1142-E1146 WeakPolarHBondContact CD1-OE2 3.39Å; S1143-E1146 PolarHBondContact O-N 3.05Å; S1143-E1146 WeakPolarHBondContact OG-CB 3.4Å; S1143-E1146 PolarHBondContact OG-N 2.96Å; S1143-E1146 VanDerWaalsContact OG-N 3.11Å; E1146-C1148 VanDerWaalsContact C-N 3.34Å; E1146-C1148 PolarHBondContact O-N 2.98Å; E1146-E1149 PolarHBondContact O-N 3.24Å; E1146-R1150 HydrophobicContact CG-CG 4.3Å; E1146-R1150 WeakPolarHBondContact O-CB 3.33Å; E1146-R1150 VanDerWaalsContact O-CG 3.26Å; E1146-R1150 WeakPolarHBondContact O-CG 3.25Å; E1146-R1150 PolarHBondContact O-N 2.91Å; E1146-R1150 VanDerWaalsContact OE1-CD 3.28Å; E1146-R1150 WeakPolarHBondContact OE1-CD 3.49Å; E1146-R1150 IonicContact OE1-CZ 3.24Å; E1146-R1150 IonicContact OE1-NE 2.7Å; E1146-R1150 IonicContact OE1-NH1 3.91Å; E1146-R1150 PolarHBondContact OE1-NH1 3.35Å
1147	L	88.8	Confident	84.9	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-44.3	177.3	180	60.9	0	0	0	111.6	L916 R987 T990 V991 Y1142 S1143 L1145 F1151	L916-L1147 HydrophobicContact CD2-CD2 4.26Å; R987-L1147 HydrophobicContact CB-CD2 4.5Å; T990-L1147 HydrophobicContact CG2-CD1 3.92Å; T990-L1147 HydrophobicContact CG2-CG 4.47Å; V991-L1147 HydrophobicContact CG2-CD1 3.91Å; V991-L1147 HydrophobicContact CG2-CD2 4.47Å; Y1142-L1147 HydrophobicContact CD2-CD1 4.22Å; S1143-L1147 WeakPolarHBondContact O-CB 3.47Å; S1143-L1147 PolarHBondContact O-N 2.92Å; L1145-L1147 VanDerWaalsContact C-N 3.33Å; L1145-L1147 PolarHBondContact O-N 3.2Å; L1147-F1151 WeakPolarHBondContact O-CB 3.21Å; L1147-F1151 PolarHBondContact O-N 3.44Å
1148	C	87.4	Confident	84.7	Confident	15 Å²	15	52.8 Å²	52.8	10%	0.101	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-45.1	176.9	-68.8	0	0	0	0	112.3	H917 T1144 L1145 E1146 R1150 F1151 G1152	H917-C1148 PolarHBondContact CE1-SG 3.13Å; H917-C1148 PolarHBondContact ND1-SG 3.13Å; T1144-C1148 PolarHBondContact O-N 3.39Å; T1144-C1148 PolarHBondContact O-SG 3.13Å; L1145-C1148 PolarHBondContact O-N 3.22Å; E1146-C1148 VanDerWaalsContact C-N 3.34Å; E1146-C1148 PolarHBondContact O-N 2.98Å; C1148-R1150 VanDerWaalsContact C-N 3.32Å; C1148-R1150 PolarHBondContact O-N 3.31Å; C1148-F1151 PolarHBondContact O-N 2.94Å; C1148-G1152 PolarHBondContact O-N 3.4Å
1149	E	87.8	Confident	83.7	Confident	106 Å²	106	46.8 Å²	46.8	50%	0.495	27%	0.27	S	S	.	.	H	α-helix	trans	-64.3	-34.7	178.4	-73.5	-174.8	-176.6	0	0	113.3	L1145 E1146 R1153	L1145-E1149 PolarHBondContact O-N 3.18Å; E1146-E1149 PolarHBondContact O-N 3.24Å; E1149-R1153 WeakPolarHBondContact O-CB 3.39Å; E1149-R1153 WeakPolarHBondContact O-CG 3.45Å; E1149-R1153 PolarHBondContact O-N 2.78Å; E1149-R1153 PolarHBondContact O-NE 3.27Å; E1149-R1153 VanDerWaalsContact O-NE 3.15Å
1150	R	92.1	Very high	82.3	Confident	38 Å²	38	53.1 Å²	53.1	14%	0.143	29%	0.289	C	S	.	.	H	α-helix	trans	-78.9	-39.3	178.5	-68.1	177.4	72.4	166	-4.9	111.7	V994 E998 Y1142 E1146 C1148 R1153 I1154	V994-R1150 HydrophobicContact CG1-CB 3.76Å; E998-R1150 VanDerWaalsContact CD-NH2 3.3Å; E998-R1150 IonicContact OE1-CZ 3.44Å; E998-R1150 VanDerWaalsContact OE1-CZ 3.25Å; E998-R1150 IonicContact OE1-NE 3.95Å; E998-R1150 PolarHBondContact OE1-NE 3.21Å; E998-R1150 IonicContact OE1-NH2 2.86Å; E998-R1150 PolarHBondContact OE1-NH2 3.28Å; E998-R1150 IonicContact OE2-NH2 2.81Å; E998-R1150 PolarHBondContact OE2-NH2 2.86Å; Y1142-R1150 VanDerWaalsContact CZ-CZ 3.49Å; Y1142-R1150 PolarHBondContact OH-NH1 3.46Å; Y1142-R1150 PolarHBondContact OH-NH2 3.01Å; E1146-R1150 HydrophobicContact CG-CG 4.3Å; E1146-R1150 WeakPolarHBondContact O-CB 3.33Å; E1146-R1150 VanDerWaalsContact O-CG 3.26Å; E1146-R1150 WeakPolarHBondContact O-CG 3.25Å; E1146-R1150 PolarHBondContact O-N 2.91Å; E1146-R1150 VanDerWaalsContact OE1-CD 3.28Å; E1146-R1150 WeakPolarHBondContact OE1-CD 3.49Å; E1146-R1150 IonicContact OE1-CZ 3.24Å; E1146-R1150 IonicContact OE1-NE 2.7Å; E1146-R1150 IonicContact OE1-NH1 3.91Å; E1146-R1150 PolarHBondContact OE1-NH1 3.35Å; C1148-R1150 VanDerWaalsContact C-N 3.32Å; C1148-R1150 PolarHBondContact O-N 3.31Å; R1150-R1153 VanDerWaalsContact CG-NH2 3.35Å; R1150-R1153 PolarHBondContact O-N 2.96Å; R1150-I1154 WeakPolarHBondContact O-CG2 3.31Å; R1150-I1154 PolarHBondContact O-N 2.9Å
1151	F	92.4	Very high	80.5	Confident	13 Å²	13	54.4 Å²	54.4	6%	0.057	30%	0.302	C	S	.	.	H	α-helix	trans	-55.1	-54	169.5	178.9	-89.4	0	0	0	111	D913 L916 T990 M993 V994 H1031 L1147 C1148 R1153 I1154 V1155	D913-F1151 HydrophobicContact CB-CD1 4.32Å; D913-F1151 HydrophobicContact CB-CE1 3.64Å; D913-F1151 HydrophobicContact CB-CZ 3.89Å; L916-F1151 HydrophobicContact CD1-CB 3.87Å; L916-F1151 HydrophobicContact CD1-CD1 3.96Å; L916-F1151 HydrophobicContact CD1-CD2 3.75Å; L916-F1151 HydrophobicContact CD1-CE1 4.46Å; L916-F1151 HydrophobicContact CD1-CE2 4.25Å; L916-F1151 HydrophobicContact CD1-CG 3.58Å; T990-F1151 HydrophobicContact CG2-CD2 3.74Å; T990-F1151 HydrophobicContact CG2-CE2 4.35Å; M993-F1151 HydrophobicContact CE-CD2 4.11Å; M993-F1151 HydrophobicContact CE-CE2 3.69Å; V994-F1151 HydrophobicContact CG2-CB 4.23Å; V994-F1151 HydrophobicContact CG2-CD2 4.29Å; H1031-F1151 AromaticContact CE1-CE2 3.58Å; H1031-F1151 AromaticContact ND1-CE2 3.88Å; L1147-F1151 WeakPolarHBondContact O-CB 3.21Å; L1147-F1151 PolarHBondContact O-N 3.44Å; C1148-F1151 PolarHBondContact O-N 2.94Å; F1151-R1153 VanDerWaalsContact C-N 3.34Å; F1151-R1153 PolarHBondContact O-N 2.96Å; F1151-I1154 WeakPolarHBondContact O-CG2 3.49Å; F1151-I1154 PolarHBondContact O-N 2.82Å; F1151-V1155 HydrophobicContact CD1-CG2 4.31Å; F1151-V1155 HydrophobicContact CD2-CG2 4.27Å; F1151-V1155 HydrophobicContact CE1-CG2 4.04Å; F1151-V1155 HydrophobicContact CE2-CG2 4.02Å; F1151-V1155 HydrophobicContact CG-CG2 4.41Å; F1151-V1155 HydrophobicContact CZ-CG2 3.91Å; F1151-V1155 WeakPolarHBondContact O-CB 3.41Å; F1151-V1155 WeakPolarHBondContact O-CG2 3.27Å; F1151-V1155 PolarHBondContact O-N 3.4Å
1152	G	89.2	Confident	78.4	Confident	13 Å²	13	56 Å²	56	13%	0.134	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-41.1	-179.7	0	0	0	0	0	113	E911 C1148 A1156	E911-G1152 WeakPolarHBondContact O-CA 3.33Å; C1148-G1152 PolarHBondContact O-N 3.4Å; G1152-A1156 WeakPolarHBondContact O-CB 3.48Å; G1152-A1156 PolarHBondContact O-N 3.01Å
1153	R	90	Very high	75.9	Confident	149 Å²	149	57.9 Å²	57.9	56%	0.562	34%	0.34	S	S	*	.	H	α-helix	trans	-65	-43.4	175.6	-79.1	-176.3	-72.9	143.2	-17.1	113.5	E1149 R1150 F1151 A1157	E1149-R1153 WeakPolarHBondContact O-CB 3.39Å; E1149-R1153 WeakPolarHBondContact O-CG 3.45Å; E1149-R1153 PolarHBondContact O-N 2.78Å; E1149-R1153 PolarHBondContact O-NE 3.27Å; E1149-R1153 VanDerWaalsContact O-NE 3.15Å; R1150-R1153 VanDerWaalsContact CG-NH2 3.35Å; R1150-R1153 PolarHBondContact O-N 2.96Å; F1151-R1153 VanDerWaalsContact C-N 3.34Å; F1151-R1153 PolarHBondContact O-N 2.96Å; R1153-A1157 WeakPolarHBondContact O-CB 3.47Å; R1153-A1157 PolarHBondContact O-N 3.22Å
1154	I	89.4	Confident	73.8	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.026	36%	0.362	C	S	.	.	H	α-helix	trans	-74.5	-38.8	-176.9	-161.2	59.4	0	0	0	111.5	V994 L997 E998 Q1001 R1150 F1151 A1157 V1158	V994-I1154 HydrophobicContact CB-CG2 4.35Å; V994-I1154 HydrophobicContact CG1-CG2 4.15Å; V994-I1154 HydrophobicContact CG2-CG2 3.96Å; L997-I1154 HydrophobicContact CB-CD1 4.05Å; L997-I1154 HydrophobicContact CB-CG1 3.52Å; L997-I1154 HydrophobicContact CD1-CG1 4.35Å; E998-I1154 HydrophobicContact CG-CD1 3.97Å; E998-I1154 HydrophobicContact CG-CG1 4.4Å; Q1001-I1154 VanDerWaalsContact CD-CD1 3.45Å; Q1001-I1154 HydrophobicContact CG-CD1 4.32Å; Q1001-I1154 VanDerWaalsContact OE1-CD1 3.31Å; R1150-I1154 WeakPolarHBondContact O-CG2 3.31Å; R1150-I1154 PolarHBondContact O-N 2.9Å; F1151-I1154 WeakPolarHBondContact O-CG2 3.49Å; F1151-I1154 PolarHBondContact O-N 2.82Å; I1154-A1157 PolarHBondContact O-N 2.95Å; I1154-V1158 HydrophobicContact CG1-CG2 4.46Å; I1154-V1158 WeakPolarHBondContact O-CB 3.38Å; I1154-V1158 WeakPolarHBondContact O-CG2 3.25Å; I1154-V1158 PolarHBondContact O-N 3Å
1155	V	87	Confident	71.3	Confident	21 Å²	21	65.5 Å²	65.5	13%	0.127	39%	0.386	C	S	.	.	H	α-helix	trans	-67.6	-38.7	175.2	179.4	0	0	0	0	111	P910 F1151 A1157 V1158 G1159	P910-V1155 HydrophobicContact CB-CG1 3.82Å; P910-V1155 WeakPolarHBondContact O-CG1 3.46Å; F1151-V1155 HydrophobicContact CD1-CG2 4.31Å; F1151-V1155 HydrophobicContact CD2-CG2 4.27Å; F1151-V1155 HydrophobicContact CE1-CG2 4.04Å; F1151-V1155 HydrophobicContact CE2-CG2 4.02Å; F1151-V1155 HydrophobicContact CG-CG2 4.41Å; F1151-V1155 HydrophobicContact CZ-CG2 3.91Å; F1151-V1155 WeakPolarHBondContact O-CB 3.41Å; F1151-V1155 WeakPolarHBondContact O-CG2 3.27Å; F1151-V1155 PolarHBondContact O-N 3.4Å; V1155-A1157 PolarHBondContact O-N 3.48Å; V1155-V1158 PolarHBondContact O-N 3.41Å; V1155-G1159 PolarHBondContact O-N 2.96Å
1156	A	84.8	Confident	68.7	Low	23 Å²	23	76.1 Å²	76.1	19%	0.19	42%	0.418	C	S	.	.	H	α-helix	trans	-60.6	-32.2	172.6	0	0	0	0	0	113.5	E911 G1152 R1160	E911-A1156 HydrophobicContact CG-CB 3.61Å; G1152-A1156 WeakPolarHBondContact O-CB 3.48Å; G1152-A1156 PolarHBondContact O-N 3.01Å; A1156-R1160 WeakPolarHBondContact O-CD 3.43Å; A1156-R1160 VanDerWaalsContact O-CG 3.28Å; A1156-R1160 WeakPolarHBondContact O-CG 3.43Å; A1156-R1160 PolarHBondContact O-NE 3.44Å
1157	A	82.8	Confident	67.8	Low	43 Å²	43	76.9 Å²	76.9	36%	0.355	43%	0.425	S	S	.	.	H	α-helix	trans	-82	-38.8	179.5	0	0	0	0	0	111.9	Q1001 R1153 I1154 V1155	Q1001-A1157 VanDerWaalsContact NE2-CB 3.34Å; R1153-A1157 WeakPolarHBondContact O-CB 3.47Å; R1153-A1157 PolarHBondContact O-N 3.22Å; I1154-A1157 PolarHBondContact O-N 2.95Å; V1155-A1157 PolarHBondContact O-N 3.48Å
1158	V	78.1	Confident	66.7	Low	14 Å²	14	80.9 Å²	80.9	9%	0.085	45%	0.447	C	S	.	.	H	α-helix	trans	-75.5	-41	178.1	172.6	0	0	0	0	111.8	L1035 H1039 I1154 V1155 R1160 A1161	L1035-V1158 HydrophobicContact CD1-CG1 3.76Å; H1039-V1158 VanDerWaalsContact NE2-CG1 3.34Å; H1039-V1158 WeakPolarHBondContact NE2-CG1 3.49Å; I1154-V1158 HydrophobicContact CG1-CG2 4.46Å; I1154-V1158 WeakPolarHBondContact O-CB 3.38Å; I1154-V1158 WeakPolarHBondContact O-CG2 3.25Å; I1154-V1158 PolarHBondContact O-N 3Å; V1155-V1158 PolarHBondContact O-N 3.41Å; V1158-R1160 PolarHBondContact O-N 3.3Å; V1158-A1161 VanDerWaalsContact O-CB 3.23Å; V1158-A1161 WeakPolarHBondContact O-CB 3.48Å; V1158-A1161 PolarHBondContact O-N 3.16Å
1159	G	59.3	Low	65.6	Low	63 Å²	63	84.6 Å²	84.6	65%	0.649	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-3.5	175.6	0	0	0	0	0	115	V1155	V1155-G1159 PolarHBondContact O-N 2.96Å
1160	R	50.8	Low	64.3	Low	208 Å²	208	83.3 Å²	83.3	79%	0.785	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-7.8	168.2	-72	176.7	-168.8	-151.5	3	113.6	A1156 V1158	A1156-R1160 WeakPolarHBondContact O-CD 3.43Å; A1156-R1160 VanDerWaalsContact O-CG 3.28Å; A1156-R1160 WeakPolarHBondContact O-CG 3.43Å; A1156-R1160 PolarHBondContact O-NE 3.44Å; V1158-R1160 PolarHBondContact O-N 3.3Å
1161	A	41	Very low	62.5	Low	58 Å²	58	86.1 Å²	86.1	48%	0.479	49%	0.485	S	S	.	.	S	Bend	trans	-64.3	133.7	161.5	0	0	0	0	0	107.9	V1158 G1163	V1158-A1161 VanDerWaalsContact O-CB 3.23Å; V1158-A1161 WeakPolarHBondContact O-CB 3.48Å; V1158-A1161 PolarHBondContact O-N 3.16Å; A1161-G1163 PolarHBondContact O-N 3.27Å
1162	P	34.1	Very low	60.5	Low	125 Å²	125	91 Å²	91	81%	0.812	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-60.5	123.2	176	-21.4	32.9	0	0	0	109.8	E1164	P1162-E1164 PolarHBondContact O-N 2.97Å
1163	G	30.1	Very low	58.5	Low	74 Å²	74	96.6 Å²	96.6	76%	0.763	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-64.2	119.3	175.3	0	0	0	0	0	110.7	A1161 G1165	A1161-G1163 PolarHBondContact O-N 3.27Å; G1163-G1165 PolarHBondContact O-N 3.39Å
1164	E	37.3	Very low	56.1	Low	177 Å²	177	92.5 Å²	92.5	83%	0.827	54%	0.539	S	S	*	.			trans	-64.4	114.3	173.1	-67.3	-166.4	131.2	0	0	109.9	P1162	P1162-E1164 PolarHBondContact O-N 2.97Å
1165	G	27.1	Very low	53.3	Low	65 Å²	65	99.8 Å²	99.8	67%	0.67	58%	0.581	S	S	*	*			trans	-138.4	11.8	-150.5	0	0	0	0	0	118.3	G1163	G1163-G1165 PolarHBondContact O-N 3.39Å
1166	R	27.3	Very low	50.2	Low	327 Å²	327	107 Å²	107	100%	1.234	62%	0.623	S	S	*	*			trans	71.8	0	176.8	-52.5	170.4	173.4	148.2	-0.6	116.7

Retrieved 1,166 of 1,166 residues in 1563.9 ms (Link to these results)

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