A0A5K4FBG7_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A5K4FBG7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 939 aa.

						>A0A5K4FBG7_SCHMA|A0A5K4FBG7
MLKPLILSTQRINLLCCLSKFTTFCYSFVMTSPEDLSSSEIQAFITKVKSLPGGTNIQQDEAEKAAHLYLRARKRDVERAVELYKANKRMRYTENVDSIDPLEDGVRRELLSGKFTVLPTLPDDEMDATVAIFTAYRHWPPLTTHRDTLKGVLYQLDAVMMDEQSQRKGLMVLYDMRDTKYSNFDYHLCIKLLNLFKGVYPARLRKVIIIEPPFWFRAPFNVLRLFVREKMRDRIYSVGYDELNVHLPNSTLKRLFGQLTLNQHFDWLLNCFKRTGHFSRMPTDYFKLSQLSSLRPSDSIYSALHNPLLGNELIVQLDLYNNNYNHENVDDNTDKIITNGNINSKGISLSSIHGSLRVPVKNRRCSDDFLHTTIITASSSSPITTISRSSFSSIVHGSTQPQHYNTINGRISPLTRPIGDTVGLQTSPLPRRGLLTNNRMTDSMFETSISHNNKGCTSSMFPNERRVFYRSDRHLSHSNSFRHRTNVITTLANNISSVSNGSIYSTHNSSSKDQLYVTNPLSETRLSVSEFITRVQSVGSIGLTLEFDALFKDSPVKGACTRFAYIMNQSDTKYVFHLASNKRRNRYLDVPCLDSTAVELSDNTYIHANWVDGYQCPRAYILAQGPLENTIREFWMTVWEHKVITIIMLTKVVEGQRPKCALYWPTRTSSSLSKDQSIPRSSVHPVDTKHTPTISASYGEFQVTNCGESIEAGGLYKRSVLEVTCKSALNDVHNSTTHIGVSRLERNRQKSKMNVQNSIKESNDNTLSDNKLTVYHYLYLGWPDFDVPADSEEFLKFLLTVKQSHKSRSKLLFSSSLSSSSSSVPPPTTTTSSGSSNHKTTLQFDSLCPLLVHCSAGIGRTGTFVTTDICLQQALNEGYLDVPDVINRLRCQRAGAVQVAKQYAFIHQALVSQLSKQQINKNDDNHHSGGGGNDDITVL
					

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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	38.5	Very low	40.2	Very low	240 Å²	240	138.3 Å²	138.3	100%	1.182	70%	0.698	S	S	*	*				0	81	0	-67.7	163	159.6	0	0	110
2	L	39	Very low	40.9	Very low	141 Å²	141	137 Å²	137	74%	0.738	69%	0.692	S	S	*	*			trans	-148.5	5.7	-168.4	-108.8	155.4	0	0	0	116.3
3	K	35.9	Very low	41.2	Very low	194 Å²	194	134.7 Å²	134.7	84%	0.843	68%	0.683	S	S	*	*	S	Bend	trans	-87.9	-24.4	-177.4	-74.6	-173.1	173	-178.4	0	116.9
4	P	41.8	Very low	41.3	Very low	103 Å²	103	133 Å²	133	67%	0.669	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-73.4	-28.4	178.1	-22.3	34.7	0	0	0	115.5	I6	P4-I6 PolarHBondContact O-N 3.3Å; P4-I6 VanDerWaalsContact O-N 3.08Å
5	L	38.3	Very low	41.7	Very low	130 Å²	130	132.1 Å²	132.1	68%	0.681	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-70.9	-7.8	-163.8	-118.9	78.4	0	0	0	116.1
6	I	41.6	Very low	42.1	Very low	117 Å²	117	127.9 Å²	127.9	60%	0.6	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-93.9	-19.1	-172.6	-65.7	172.7	0	0	0	112.2	P4	P4-I6 PolarHBondContact O-N 3.3Å; P4-I6 VanDerWaalsContact O-N 3.08Å
7	L	38.2	Very low	42.3	Very low	118 Å²	118	125.3 Å²	125.3	62%	0.618	65%	0.652	S	S	*	*	H	α-helix	trans	-89.9	-21.9	-172.8	-74.6	164.4	0	0	0	114.7
8	S	41.8	Very low	42.7	Very low	70 Å²	70	123.4 Å²	123.4	49%	0.49	64%	0.643	S	S	.	*	H	α-helix	trans	-71.7	-42.1	176.3	51.3	0	0	0	0	112	Q10 R11 I12	S8-Q10 PolarHBondContact O-N 2.75Å; S8-R11 PolarHBondContact O-N 3Å; S8-R11 VanDerWaalsContact O-N 3.14Å; S8-I12 PolarHBondContact O-N 2.86Å
9	T	43.8	Very low	43	Very low	84 Å²	84	120.5 Å²	120.5	52%	0.515	63%	0.634	S	S	.	*	H	α-helix	trans	-62.5	-28.8	-178.5	-18.3	0	0	0	0	112.9	N13	T9-N13 PolarHBondContact O-ND2 3.45Å
10	Q	40.6	Very low	43.3	Very low	131 Å²	131	121.9 Å²	121.9	61%	0.612	64%	0.635	S	S	*	*	H	α-helix	trans	-75.4	-39.6	174.9	-69.5	-173.5	-19.2	0	0	112.4	S8 N13 L14	S8-Q10 PolarHBondContact O-N 2.75Å; Q10-N13 PolarHBondContact O-N 2.8Å; Q10-L14 PolarHBondContact O-N 3.5Å
11	R	42.4	Very low	43.6	Very low	193 Å²	193	122.7 Å²	122.7	73%	0.728	63%	0.633	S	S	*	*	H	α-helix	trans	-69.3	-35.6	179.8	-81.4	-174.5	168	176.1	-2.6	113.7	S8 L14 L15	S8-R11 PolarHBondContact O-N 3Å; S8-R11 VanDerWaalsContact O-N 3.14Å; R11-L14 PolarHBondContact O-N 3.3Å; R11-L15 PolarHBondContact O-N 2.84Å
12	I	48.9	Very low	44.1	Very low	123 Å²	123	115.1 Å²	115.1	63%	0.631	60%	0.601	S	S	*	*	H	α-helix	trans	-66.4	-40.2	176.7	-65	173	0	0	0	110.9	S8 L15 C16	S8-I12 PolarHBondContact O-N 2.86Å; I12-L15 PolarHBondContact O-N 2.77Å; I12-C16 WeakPolarHBondContact O-CB 3.49Å; I12-C16 PolarHBondContact O-N 3.42Å
13	N	44.3	Very low	44.5	Very low	107 Å²	107	113.2 Å²	113.2	57%	0.572	60%	0.595	S	S	*	*	H	α-helix	trans	-63.1	-41	172.2	-81.3	-72.7	0	0	0	111.8	T9 Q10 C16 C17	T9-N13 PolarHBondContact O-ND2 3.45Å; Q10-N13 PolarHBondContact O-N 2.8Å; N13-C16 PolarHBondContact O-N 2.97Å; N13-C17 WeakPolarHBondContact O-CB 3.25Å; N13-C17 PolarHBondContact O-N 2.91Å
14	L	42.8	Very low	44.9	Very low	111 Å²	111	111.2 Å²	111.2	58%	0.581	59%	0.587	S	S	*	*	H	α-helix	trans	-64.3	-41	178	-159.5	74	0	0	0	112.5	Q10 R11 C17 L18	Q10-L14 PolarHBondContact O-N 3.5Å; R11-L14 PolarHBondContact O-N 3.3Å; L14-C17 WeakPolarHBondContact O-CB 3.42Å; L14-C17 PolarHBondContact O-N 2.91Å; L14-L18 HydrophobicContact CG-CD1 4.38Å; L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 3.38Å
15	L	47.7	Very low	44.9	Very low	119 Å²	119	109.5 Å²	109.5	62%	0.623	58%	0.576	S	S	*	*	H	α-helix	trans	-69.2	-36.4	175.2	-87.2	159	0	0	0	112.9	R11 I12 C17 L18 S19	R11-L15 PolarHBondContact O-N 2.84Å; I12-L15 PolarHBondContact O-N 2.77Å; L15-C17 VanDerWaalsContact C-N 3.34Å; L15-L18 PolarHBondContact O-N 2.83Å; L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3.37Å
16	C	47.9	Very low	45.2	Very low	65 Å²	65	113.5 Å²	113.5	44%	0.439	58%	0.584	S	S	.	*	H	α-helix	trans	-67	-35.8	172.4	-168.2	0	0	0	0	111.9	I12 N13 K20	I12-C16 WeakPolarHBondContact O-CB 3.49Å; I12-C16 PolarHBondContact O-N 3.42Å; N13-C16 PolarHBondContact O-N 2.97Å; C16-K20 WeakPolarHBondContact O-CG 3.25Å; C16-K20 PolarHBondContact O-N 3.16Å
17	C	46.5	Very low	45.1	Very low	84 Å²	84	112.9 Å²	112.9	57%	0.568	59%	0.59	S	S	*	*	H	α-helix	trans	-63.8	-47.9	168.9	-82.5	0	0	0	0	111.9	N13 L14 L15 K20 F21	N13-C17 WeakPolarHBondContact O-CB 3.25Å; N13-C17 PolarHBondContact O-N 2.91Å; L14-C17 WeakPolarHBondContact O-CB 3.42Å; L14-C17 PolarHBondContact O-N 2.91Å; L15-C17 VanDerWaalsContact C-N 3.34Å; C17-K20 CarbonylContact O-C 3.53Å; C17-K20 PolarHBondContact O-N 2.8Å; C17-F21 WeakPolarHBondContact O-CB 3.42Å; C17-F21 PolarHBondContact O-N 2.8Å
18	L	48.9	Very low	44.9	Very low	91 Å²	91	112.8 Å²	112.8	48%	0.476	59%	0.585	S	S	.	*	H	α-helix	trans	-65.7	-39.1	-178.8	-76.4	165.4	0	0	0	112.8	L14 L15 F21 T22	L14-L18 HydrophobicContact CG-CD1 4.38Å; L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 3.38Å; L15-L18 PolarHBondContact O-N 2.83Å; L18-F21 CarbonylContact O-C 3.51Å; L18-F21 WeakPolarHBondContact O-CA 3.41Å; L18-F21 WeakPolarHBondContact O-CB 3.36Å; L18-F21 PolarHBondContact O-N 3.39Å; L18-F21 VanDerWaalsContact O-N 3.1Å; L18-T22 PolarHBondContact O-N 3.27Å; L18-T22 PolarHBondContact O-OG1 3.05Å
19	S	48.5	Very low	44.7	Very low	69 Å²	69	114.9 Å²	114.9	48%	0.483	59%	0.594	S	S	.	*	H	α-helix	trans	-61.7	-43.5	172.2	165	0	0	0	0	111.7	L15 F21 T22 T23	L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3.37Å; S19-F21 PolarHBondContact O-N 2.86Å; S19-T22 PolarHBondContact O-N 2.79Å; S19-T22 PolarHBondContact O-OG1 2.85Å; S19-T23 PolarHBondContact O-N 2.79Å; S19-T23 VanDerWaalsContact O-N 3.08Å; S19-T23 PolarHBondContact O-OG1 2.61Å; S19-T23 VanDerWaalsContact O-OG1 3.14Å
20	K	49.6	Very low	44.1	Very low	148 Å²	148	119.3 Å²	119.3	64%	0.643	61%	0.611	S	S	*	*	H	α-helix	trans	-65.9	-28.5	173.1	-73.2	175.5	178.5	176.4	0	112.3	C16 C17 F24	C16-K20 WeakPolarHBondContact O-CG 3.25Å; C16-K20 PolarHBondContact O-N 3.16Å; C17-K20 CarbonylContact O-C 3.53Å; C17-K20 PolarHBondContact O-N 2.8Å; K20-F24 WeakPolarHBondContact O-CB 3.2Å; K20-F24 PolarHBondContact O-N 2.83Å
21	F	48.5	Very low	43.9	Very low	138 Å²	138	118.6 Å²	118.6	61%	0.605	62%	0.616	S	S	*	*	H	α-helix	trans	-73.2	-45.1	176	-148.5	-93.8	0	0	0	111.9	C17 L18 S19 F24 C25	C17-F21 WeakPolarHBondContact O-CB 3.42Å; C17-F21 PolarHBondContact O-N 2.8Å; L18-F21 CarbonylContact O-C 3.51Å; L18-F21 WeakPolarHBondContact O-CA 3.41Å; L18-F21 WeakPolarHBondContact O-CB 3.36Å; L18-F21 PolarHBondContact O-N 3.39Å; L18-F21 VanDerWaalsContact O-N 3.1Å; S19-F21 PolarHBondContact O-N 2.86Å; F21-F24 WeakPolarHBondContact O-CB 3.38Å; F21-F24 PolarHBondContact O-N 3.15Å; F21-C25 PolarHBondContact O-N 2.72Å; F21-C25 PolarHBondContact O-SG 3.03Å
22	T	49.8	Very low	43.9	Very low	81 Å²	81	112.1 Å²	112.1	50%	0.497	60%	0.601	S	S	.	*	H	α-helix	trans	-71	-38.3	179.9	51.7	0	0	0	0	112.6	L18 S19 F24 C25 Y26	L18-T22 PolarHBondContact O-N 3.27Å; L18-T22 PolarHBondContact O-OG1 3.05Å; S19-T22 PolarHBondContact O-N 2.79Å; S19-T22 PolarHBondContact O-OG1 2.85Å; T22-F24 VanDerWaalsContact C-N 3.28Å; T22-F24 PolarHBondContact O-N 2.71Å; T22-C25 PolarHBondContact O-N 3.44Å; T22-Y26 PolarHBondContact O-N 3.5Å
23	T	47.4	Very low	44	Very low	101 Å²	101	110.7 Å²	110.7	62%	0.62	60%	0.599	S	S	*	*	H	α-helix	trans	-64.7	-32.7	171	-54.1	0	0	0	0	112	S19	S19-T23 PolarHBondContact O-N 2.79Å; S19-T23 VanDerWaalsContact O-N 3.08Å; S19-T23 PolarHBondContact O-OG1 2.61Å; S19-T23 VanDerWaalsContact O-OG1 3.14Å
24	F	43.6	Very low	44.7	Very low	153 Å²	153	110.2 Å²	110.2	67%	0.671	59%	0.593	S	S	*	*	H	α-helix	trans	-70	-39.8	173.7	-174.4	-97.7	0	0	0	112.2	K20 F21 T22	K20-F24 WeakPolarHBondContact O-CB 3.2Å; K20-F24 PolarHBondContact O-N 2.83Å; F21-F24 WeakPolarHBondContact O-CB 3.38Å; F21-F24 PolarHBondContact O-N 3.15Å; T22-F24 VanDerWaalsContact C-N 3.28Å; T22-F24 PolarHBondContact O-N 2.71Å
25	C	42.1	Very low	46.2	Very low	67 Å²	67	107.9 Å²	107.9	45%	0.453	58%	0.582	S	S	.	*	H	α-helix	trans	-69.7	-36	176	-68.3	0	0	0	0	113.7	F21 T22 S27 F28	F21-C25 PolarHBondContact O-N 2.72Å; F21-C25 PolarHBondContact O-SG 3.03Å; T22-C25 PolarHBondContact O-N 3.44Å; C25-S27 VanDerWaalsContact C-N 3.26Å; C25-S27 PolarHBondContact O-N 3.46Å; C25-F28 VanDerWaalsContact O-CB 3.27Å; C25-F28 WeakPolarHBondContact O-CB 3.3Å; C25-F28 PolarHBondContact O-N 2.91Å; C25-F28 VanDerWaalsContact O-N 3.16Å
26	Y	43.4	Very low	48	Very low	214 Å²	214	103.4 Å²	103.4	84%	0.839	56%	0.558	S	S	*	*	H	α-helix	trans	-73.6	-12.9	-177.2	-105.2	-85.6	0	0	0	114.9	T22 F28	T22-Y26 PolarHBondContact O-N 3.5Å; Y26-F28 VanDerWaalsContact C-N 3.34Å
27	S	41	Very low	50	Low	104 Å²	104	102 Å²	102	73%	0.727	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	2.1	171.5	-169.1	0	0	0	0	113.1	C25 V29	C25-S27 VanDerWaalsContact C-N 3.26Å; C25-S27 PolarHBondContact O-N 3.46Å; S27-V29 PolarHBondContact O-N 2.82Å
28	F	34.4	Very low	52	Low	115 Å²	115	102.7 Å²	102.7	50%	0.504	56%	0.555	S	S	.	*			trans	-94.3	76.5	-167.9	-159.8	-95	0	0	0	112.5	C25 Y26 P33	C25-F28 VanDerWaalsContact O-CB 3.27Å; C25-F28 WeakPolarHBondContact O-CB 3.3Å; C25-F28 PolarHBondContact O-N 2.91Å; C25-F28 VanDerWaalsContact O-N 3.16Å; Y26-F28 VanDerWaalsContact C-N 3.34Å; F28-P33 HydrophobicContact CE2-CB 4.19Å; F28-P33 HydrophobicContact CZ-CB 3.97Å; F28-P33 HydrophobicContact CZ-CG 4.47Å
29	V	36.9	Very low	54.1	Low	114 Å²	114	102.5 Å²	102.5	69%	0.691	56%	0.561	S	S	*	*			trans	-127.9	121.1	175.3	177.6	0	0	0	0	109.6	S27	S27-V29 PolarHBondContact O-N 2.82Å
30	M	31.5	Very low	56.3	Low	178 Å²	178	101.2 Å²	101.2	88%	0.877	55%	0.547	S	S	*	.	S	Bend	trans	68.5	39.7	166.5	-61	-63.4	166.8	0	0	119.6
31	T	35.6	Very low	58.4	Low	116 Å²	116	95 Å²	95	71%	0.712	52%	0.521	S	S	*	.	S	Bend	trans	-146.2	158.6	152.7	35.6	0	0	0	0	111.6
32	S	42.2	Very low	60.6	Low	57 Å²	57	92.4 Å²	92.4	40%	0.399	51%	0.511	S	S	.	.			trans	-72.7	144.7	174.1	129	0	0	0	0	111.1	E34 D35	S32-E34 VanDerWaalsContact C-N 3.27Å; S32-E34 PolarHBondContact O-N 2.86Å; S32-D35 WeakPolarHBondContact CB-OD2 3.37Å; S32-D35 PolarHBondContact O-N 2.87Å; S32-D35 PolarHBondContact OG-OD2 2.92Å
33	P	51.4	Low	62.9	Low	93 Å²	93	90.3 Å²	90.3	60%	0.604	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.8	-170	26.4	-34.1	0	0	0	115.2	F28 R75	F28-P33 HydrophobicContact CE2-CB 4.19Å; F28-P33 HydrophobicContact CZ-CB 3.97Å; F28-P33 HydrophobicContact CZ-CG 4.47Å; P33-R75 PolarHBondContact O-NH1 2.87Å
34	E	58	Low	65.2	Low	96 Å²	96	85.5 Å²	85.5	45%	0.449	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-8.5	-178.1	-66.1	-132.9	138.1	0	0	114.7	S32 R167	S32-E34 VanDerWaalsContact C-N 3.27Å; S32-E34 PolarHBondContact O-N 2.86Å; E34-R167 WeakPolarHBondContact OE2-CB 3.12Å; E34-R167 WeakPolarHBondContact OE2-CD 3.39Å; E34-R167 WeakPolarHBondContact OE2-CG 3.26Å
35	D	75.5	Confident	67.7	Low	63 Å²	63	78.4 Å²	78.4	34%	0.337	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-88	127.8	-173.4	-60.5	-49.7	0	0	0	112.1	S32 R75 R167	S32-D35 WeakPolarHBondContact CB-OD2 3.37Å; S32-D35 PolarHBondContact O-N 2.87Å; S32-D35 PolarHBondContact OG-OD2 2.92Å; D35-R75 PolarHBondContact O-NH1 2.81Å; D35-R75 PolarHBondContact O-NH2 2.89Å; D35-R167 IonicContact OD1-CZ 3.74Å; D35-R167 IonicContact OD1-NE 3.6Å; D35-R167 IonicContact OD1-NH2 3.23Å; D35-R167 PolarHBondContact OD1-NH2 3.37Å
36	L	85.1	Confident	70.2	Confident	24 Å²	24	79.7 Å²	79.7	13%	0.126	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-68.2	140.7	-174.4	-68.9	169.9	0	0	0	111.1	I41 H67 L70 R71 R75	L36-I41 HydrophobicContact CB-CD1 3.96Å; L36-I41 HydrophobicContact CB-CG1 4.08Å; L36-I41 HydrophobicContact CD1-CG1 4.49Å; L36-H67 HydrophobicContact CD1-CB 4.38Å; L36-L70 HydrophobicContact CD1-CB 3.93Å; L36-L70 HydrophobicContact CD1-CD1 4.19Å; L36-L70 HydrophobicContact CD2-CB 3.68Å; L36-L70 HydrophobicContact CD2-CD1 4.23Å; L36-L70 HydrophobicContact CG-CB 4.5Å; L36-R71 HydrophobicContact CD1-CG 4.27Å; L36-R75 HydrophobicContact CD2-CB 4.33Å; L36-R75 HydrophobicContact CD2-CG 3.97Å
37	S	89.1	Confident	72.7	Confident	37 Å²	37	72.8 Å²	72.8	26%	0.259	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-80.5	149.6	175.4	75	0	0	0	0	110.6	S39 E40 I41	S37-S39 PolarHBondContact O-N 2.88Å; S37-S39 VanDerWaalsContact O-N 3.14Å; S37-S39 PolarHBondContact OG-OG 3.27Å; S37-E40 PolarHBondContact N-OE2 2.77Å; S37-E40 PolarHBondContact O-N 2.91Å; S37-E40 VanDerWaalsContact OG-CG 3.24Å; S37-E40 WeakPolarHBondContact OG-CG 3.43Å; S37-E40 PolarHBondContact OG-N 3.39Å; S37-E40 PolarHBondContact OG-OE2 3.05Å; S37-I41 WeakPolarHBondContact O-CG1 3.29Å; S37-I41 PolarHBondContact O-N 3.43Å
38	S	90.4	Very high	75.2	Confident	98 Å²	98	67.9 Å²	67.9	69%	0.685	39%	0.387	S	S	*	.	H	α-helix	trans	-56.6	-29.9	172.4	-42.5	0	0	0	0	112	Q42	S38-Q42 WeakPolarHBondContact O-CB 3.37Å; S38-Q42 VanDerWaalsContact O-CG 3.28Å; S38-Q42 WeakPolarHBondContact O-CG 3.45Å; S38-Q42 PolarHBondContact O-N 3.35Å
39	S	92.5	Very high	77.9	Confident	87 Å²	87	65.2 Å²	65.2	61%	0.608	38%	0.375	S	S	*	.	H	α-helix	trans	-70.4	-39.3	175.2	51.6	0	0	0	0	113.5	S37 A43	S37-S39 PolarHBondContact O-N 2.88Å; S37-S39 VanDerWaalsContact O-N 3.14Å; S37-S39 PolarHBondContact OG-OG 3.27Å; S39-A43 WeakPolarHBondContact O-CB 3.47Å; S39-A43 PolarHBondContact O-N 3.37Å
40	E	93.7	Very high	80.6	Confident	41 Å²	41	64.1 Å²	64.1	19%	0.192	37%	0.373	C	S	.	.	H	α-helix	trans	-66.3	-44.1	173.8	-70.8	161.4	160.2	0	0	111	S37 A43 F44 L70 R75 V77	S37-E40 PolarHBondContact N-OE2 2.77Å; S37-E40 PolarHBondContact O-N 2.91Å; S37-E40 VanDerWaalsContact OG-CG 3.24Å; S37-E40 WeakPolarHBondContact OG-CG 3.43Å; S37-E40 PolarHBondContact OG-N 3.39Å; S37-E40 PolarHBondContact OG-OE2 3.05Å; E40-A43 PolarHBondContact O-N 3.46Å; E40-F44 PolarHBondContact O-N 3.33Å; E40-L70 HydrophobicContact CB-CD1 4.21Å; E40-R75 WeakPolarHBondContact OE1-CB 3.24Å; E40-R75 IonicContact OE1-CZ 2.73Å; E40-R75 IonicContact OE1-NE 2.93Å; E40-R75 PolarHBondContact OE1-NE 3.15Å; E40-R75 IonicContact OE1-NH2 3.39Å; E40-R75 PolarHBondContact OE1-NH2 2.85Å; E40-R75 IonicContact OE2-CZ 3.31Å; E40-R75 VanDerWaalsContact OE2-CZ 3.29Å; E40-R75 IonicContact OE2-NE 3.71Å; E40-R75 PolarHBondContact OE2-NE 2.86Å; E40-R75 VanDerWaalsContact OE2-NE 3.13Å; E40-R75 IonicContact OE2-NH2 3.84Å; E40-R75 PolarHBondContact OE2-NH2 2.83Å; E40-V77 HydrophobicContact CB-CG2 4.5Å
41	I	94.5	Very high	83.3	Confident	18 Å²	18	57.5 Å²	57.5	9%	0.092	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-54	178.1	-69.6	166.2	0	0	0	110.3	L36 S37 A43 F44 I45 E63 A66 L70	L36-I41 HydrophobicContact CB-CD1 3.96Å; L36-I41 HydrophobicContact CB-CG1 4.08Å; L36-I41 HydrophobicContact CD1-CG1 4.49Å; S37-I41 WeakPolarHBondContact O-CG1 3.29Å; S37-I41 PolarHBondContact O-N 3.43Å; I41-A43 PolarHBondContact O-N 3.27Å; I41-F44 WeakPolarHBondContact O-CB 3.43Å; I41-F44 PolarHBondContact O-N 3.08Å; I41-I45 HydrophobicContact CG2-CD1 3.71Å; I41-I45 VanDerWaalsContact O-CG1 3.3Å; I41-I45 WeakPolarHBondContact O-CG1 3.4Å; I41-I45 PolarHBondContact O-N 3.07Å; I41-E63 HydrophobicContact CG2-CG 4.33Å; I41-A66 HydrophobicContact CB-CB 4.4Å; I41-A66 HydrophobicContact CG1-CB 4.45Å; I41-A66 HydrophobicContact CG2-CB 3.93Å; I41-L70 HydrophobicContact CG1-CD1 4.28Å
42	Q	95.5	Very high	85.5	Confident	84 Å²	84	58.7 Å²	58.7	39%	0.393	35%	0.35	S	S	.	.	H	α-helix	trans	-65.8	-38.9	-180	-66.3	-60.8	-21	0	0	112	S38 F44 I45 T46	S38-Q42 WeakPolarHBondContact O-CB 3.37Å; S38-Q42 VanDerWaalsContact O-CG 3.28Å; S38-Q42 WeakPolarHBondContact O-CG 3.45Å; S38-Q42 PolarHBondContact O-N 3.35Å; Q42-F44 VanDerWaalsContact C-N 3.28Å; Q42-F44 PolarHBondContact O-N 3.13Å; Q42-I45 PolarHBondContact O-N 3.42Å; Q42-I45 VanDerWaalsContact O-N 3.12Å; Q42-T46 PolarHBondContact O-N 2.88Å; Q42-T46 PolarHBondContact O-OG1 2.78Å
43	A	96.2	Very high	87.1	Confident	36 Å²	36	58.9 Å²	58.9	30%	0.298	36%	0.362	S	S	.	.	H	α-helix	trans	-61.9	-33.2	175.8	0	0	0	0	0	113.2	S39 E40 I41 K47 V77	S39-A43 WeakPolarHBondContact O-CB 3.47Å; S39-A43 PolarHBondContact O-N 3.37Å; E40-A43 PolarHBondContact O-N 3.46Å; I41-A43 PolarHBondContact O-N 3.27Å; A43-K47 WeakPolarHBondContact O-CD 3.18Å; A43-K47 WeakPolarHBondContact O-CG 3.34Å; A43-K47 PolarHBondContact O-N 3.17Å; A43-V77 HydrophobicContact CB-CG1 4.18Å; A43-V77 HydrophobicContact CB-CG2 4.38Å
44	F	96.7	Very high	88.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-68.3	-49.4	169.9	176.2	-88.7	0	0	0	111.4	E40 I41 Q42 T46 K47 V48 A65 A66 Y69 L70 V77 A80 V81 Y84	E40-F44 PolarHBondContact O-N 3.33Å; I41-F44 WeakPolarHBondContact O-CB 3.43Å; I41-F44 PolarHBondContact O-N 3.08Å; Q42-F44 VanDerWaalsContact C-N 3.28Å; Q42-F44 PolarHBondContact O-N 3.13Å; F44-T46 PolarHBondContact O-N 3.07Å; F44-K47 PolarHBondContact O-N 3.45Å; F44-V48 HydrophobicContact CD1-CG2 4.04Å; F44-V48 HydrophobicContact CD2-CG2 4.46Å; F44-V48 HydrophobicContact CE1-CG2 3.62Å; F44-V48 HydrophobicContact CE2-CG2 4.07Å; F44-V48 HydrophobicContact CG-CG2 4.46Å; F44-V48 HydrophobicContact CZ-CG2 3.64Å; F44-V48 WeakPolarHBondContact O-CG2 3.46Å; F44-V48 PolarHBondContact O-N 3.43Å; F44-A65 HydrophobicContact CE1-CB 4.1Å; F44-A66 HydrophobicContact CB-CB 4.4Å; F44-A66 VanDerWaalsContact CD1-CA 3.44Å; F44-A66 HydrophobicContact CD1-CB 3.57Å; F44-A66 HydrophobicContact CE1-CB 4.15Å; F44-A66 HydrophobicContact CG-CB 4.22Å; F44-Y69 HydrophobicContact CE2-CG 4.35Å; F44-Y69 HydrophobicContact CZ-CD2 4.4Å; F44-Y69 HydrophobicContact CZ-CG 4.07Å; F44-L70 HydrophobicContact CB-CD1 4.15Å; F44-L70 HydrophobicContact CB-CD2 4.33Å; F44-L70 HydrophobicContact CB-CG 4.36Å; F44-L70 HydrophobicContact CD2-CD2 4.44Å; F44-L70 HydrophobicContact CD2-CG 4.45Å; F44-V77 HydrophobicContact CB-CG1 4.18Å; F44-A80 HydrophobicContact CD2-CB 3.77Å; F44-A80 HydrophobicContact CE2-CB 3.83Å; F44-V81 HydrophobicContact CD2-CG2 3.76Å; F44-V81 HydrophobicContact CE2-CG2 4.1Å; F44-Y84 HydrophobicContact CZ-CD2 4.15Å; F44-Y84 HydrophobicContact CZ-CG 4.4Å
45	I	95.8	Very high	89.2	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-46	-177.1	-67.2	167.7	0	0	0	111.4	I41 Q42 K47 V48 K49 A62 E63 A66	I41-I45 HydrophobicContact CG2-CD1 3.71Å; I41-I45 VanDerWaalsContact O-CG1 3.3Å; I41-I45 WeakPolarHBondContact O-CG1 3.4Å; I41-I45 PolarHBondContact O-N 3.07Å; Q42-I45 PolarHBondContact O-N 3.42Å; Q42-I45 VanDerWaalsContact O-N 3.12Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 3.12Å; I45-V48 PolarHBondContact O-N 2.75Å; I45-K49 HydrophobicContact CG2-CD 3.89Å; I45-K49 HydrophobicContact CG2-CG 4.27Å; I45-K49 WeakPolarHBondContact O-CB 3.45Å; I45-K49 WeakPolarHBondContact O-CG 3.42Å; I45-K49 PolarHBondContact O-N 2.86Å; I45-A62 HydrophobicContact CD1-CB 4.4Å; I45-A62 HydrophobicContact CG1-CB 4.02Å; I45-A62 HydrophobicContact CG2-CB 3.98Å; I45-E63 HydrophobicContact CD1-CB 4.43Å; I45-E63 HydrophobicContact CD1-CG 3.47Å; I45-E63 VanDerWaalsContact CD1-CG 3.47Å; I45-A66 HydrophobicContact CD1-CB 4.44Å; I45-A66 HydrophobicContact CG1-CB 4.2Å
46	T	95.1	Very high	89.6	Confident	94 Å²	94	58.8 Å²	58.8	58%	0.577	36%	0.364	S	S	*	.	H	α-helix	trans	-56.7	-46.8	175.6	-53.6	0	0	0	0	111.3	Q42 F44 V48 K49 S50	Q42-T46 PolarHBondContact O-N 2.88Å; Q42-T46 PolarHBondContact O-OG1 2.78Å; F44-T46 PolarHBondContact O-N 3.07Å; T46-V48 PolarHBondContact O-N 3.39Å; T46-K49 PolarHBondContact O-N 2.93Å; T46-S50 PolarHBondContact O-N 2.89Å; T46-S50 PolarHBondContact O-OG 2.86Å
47	K	95	Very high	89.5	Confident	69 Å²	69	58.7 Å²	58.7	30%	0.3	36%	0.363	S	S	.	.	H	α-helix	trans	-67.9	-31.1	-180	-74.6	170.7	178.4	162.7	0	113.3	A43 F44 I45 S50 L51 V77 E78 V81	A43-K47 WeakPolarHBondContact O-CD 3.18Å; A43-K47 WeakPolarHBondContact O-CG 3.34Å; A43-K47 PolarHBondContact O-N 3.17Å; F44-K47 PolarHBondContact O-N 3.45Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 3.12Å; K47-S50 WeakPolarHBondContact CA-OG 3.46Å; K47-S50 PolarHBondContact O-OG 3.05Å; K47-L51 WeakPolarHBondContact O-CG 3.35Å; K47-V77 HydrophobicContact CD-CG1 3.89Å; K47-E78 IonicContact NZ-OE1 3.77Å; K47-E78 PolarHBondContact NZ-OE1 3.45Å; K47-E78 IonicContact NZ-OE2 3.83Å; K47-V81 HydrophobicContact CB-CG1 4.43Å; K47-V81 HydrophobicContact CB-CG2 3.74Å; K47-V81 HydrophobicContact CD-CG2 4.14Å
48	V	93.4	Very high	89.6	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.012	38%	0.382	C	S	.	.	H	α-helix	trans	-76	-44.9	174.6	168.6	0	0	0	0	111.3	F44 I45 T46 S50 L51 I57 V81 Y84	F44-V48 HydrophobicContact CD1-CG2 4.04Å; F44-V48 HydrophobicContact CD2-CG2 4.46Å; F44-V48 HydrophobicContact CE1-CG2 3.62Å; F44-V48 HydrophobicContact CE2-CG2 4.07Å; F44-V48 HydrophobicContact CG-CG2 4.46Å; F44-V48 HydrophobicContact CZ-CG2 3.64Å; F44-V48 WeakPolarHBondContact O-CG2 3.46Å; F44-V48 PolarHBondContact O-N 3.43Å; I45-V48 PolarHBondContact O-N 2.75Å; T46-V48 PolarHBondContact O-N 3.39Å; V48-S50 PolarHBondContact O-N 2.81Å; V48-L51 WeakPolarHBondContact O-CB 3.46Å; V48-L51 WeakPolarHBondContact O-CG 3.4Å; V48-L51 PolarHBondContact O-N 2.87Å; V48-I57 HydrophobicContact CG1-CD1 3.78Å; V48-V81 HydrophobicContact CG2-CG2 4.44Å; V48-Y84 HydrophobicContact CG1-CD1 4.28Å; V48-Y84 HydrophobicContact CG1-CE1 3.76Å; V48-Y84 HydrophobicContact CG1-CE2 4.31Å; V48-Y84 HydrophobicContact CG2-CD1 4.08Å; V48-Y84 HydrophobicContact CG2-CE1 4.39Å; V48-Y84 HydrophobicContact CG2-CG 4.16Å
49	K	92.9	Very high	89.6	Confident	59 Å²	59	62.4 Å²	62.4	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-65.2	-23.3	177.7	-71.3	-173	170	-177.2	0	113	I45 T46 L51 G54 I57	I45-K49 HydrophobicContact CG2-CD 3.89Å; I45-K49 HydrophobicContact CG2-CG 4.27Å; I45-K49 WeakPolarHBondContact O-CB 3.45Å; I45-K49 WeakPolarHBondContact O-CG 3.42Å; I45-K49 PolarHBondContact O-N 2.86Å; T46-K49 PolarHBondContact O-N 2.93Å; K49-L51 VanDerWaalsContact C-N 3.34Å; K49-G54 CarbonylContact O-C 3.59Å; K49-I57 VanDerWaalsContact CE-O 3.24Å; K49-I57 WeakPolarHBondContact CE-O 3.48Å; K49-I57 PolarHBondContact NZ-O 3.37Å
50	S	91.7	Very high	89.5	Confident	91 Å²	91	61.6 Å²	61.6	64%	0.636	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-2.3	170.5	64.2	0	0	0	0	115.6	T46 K47 V48	T46-S50 PolarHBondContact O-N 2.89Å; T46-S50 PolarHBondContact O-OG 2.86Å; K47-S50 WeakPolarHBondContact CA-OG 3.46Å; K47-S50 PolarHBondContact O-OG 3.05Å; V48-S50 PolarHBondContact O-N 2.81Å
51	L	89	Confident	89.4	Confident	39 Å²	39	63.8 Å²	63.8	20%	0.204	37%	0.365	C	S	.	.	S	Bend	trans	-80.8	155.1	174.8	-57.5	-179.1	0	0	0	111.1	K47 V48 K49 G53 G54 Y84 K85	K47-L51 WeakPolarHBondContact O-CG 3.35Å; V48-L51 WeakPolarHBondContact O-CB 3.46Å; V48-L51 WeakPolarHBondContact O-CG 3.4Å; V48-L51 PolarHBondContact O-N 2.87Å; K49-L51 VanDerWaalsContact C-N 3.34Å; L51-G53 PolarHBondContact O-N 2.82Å; L51-G54 WeakPolarHBondContact O-CA 3.35Å; L51-G54 PolarHBondContact O-N 3.22Å; L51-Y84 HydrophobicContact CD1-CD1 4.04Å; L51-Y84 HydrophobicContact CD1-CE1 4.26Å; L51-K85 HydrophobicContact CD1-CG 3.94Å
52	P	82.3	Confident	89.3	Confident	140 Å²	140	63 Å²	63	91%	0.909	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	124.2	170	-26	35.4	0	0	0	111.4	G54	P52-G54 VanDerWaalsContact C-N 3.26Å; P52-G54 PolarHBondContact O-N 3.19Å
53	G	76.4	Confident	89.2	Confident	62 Å²	62	62.4 Å²	62.4	64%	0.639	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-8.7	-174.3	0	0	0	0	0	115.6	L51 T55	L51-G53 PolarHBondContact O-N 2.82Å; G53-T55 VanDerWaalsContact C-N 3.3Å; G53-T55 PolarHBondContact O-N 3.25Å
54	G	76.4	Confident	89	Confident	4 Å²	4	67 Å²	67	4%	0.041	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-71.8	-19.1	-178.1	0	0	0	0	0	114.9	K49 L51 P52 N56 I57	K49-G54 CarbonylContact O-C 3.59Å; L51-G54 WeakPolarHBondContact O-CA 3.35Å; L51-G54 PolarHBondContact O-N 3.22Å; P52-G54 VanDerWaalsContact C-N 3.26Å; P52-G54 PolarHBondContact O-N 3.19Å; G54-N56 PolarHBondContact O-N 3.41Å; G54-I57 WeakPolarHBondContact O-CG1 3.25Å; G54-I57 PolarHBondContact O-N 3.28Å
55	T	76.9	Confident	88.9	Confident	106 Å²	106	67.8 Å²	67.8	65%	0.65	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-60.8	-27.1	-178.5	48.7	0	0	0	0	113.9	G53	G53-T55 VanDerWaalsContact C-N 3.3Å; G53-T55 PolarHBondContact O-N 3.25Å
56	N	82.6	Confident	88.9	Confident	140 Å²	140	67.6 Å²	67.6	75%	0.749	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-96.5	1.5	-170.8	-59.7	14.8	0	0	0	112.8	G54	G54-N56 PolarHBondContact O-N 3.41Å
57	I	84.5	Confident	88.8	Confident	21 Å²	21	65.8 Å²	65.8	11%	0.108	36%	0.362	C	S	.	.			trans	-75.3	124.5	-178.3	-59.7	172.8	0	0	0	109.3	V48 K49 G54 E61 A62 Y84	V48-I57 HydrophobicContact CG1-CD1 3.78Å; K49-I57 VanDerWaalsContact CE-O 3.24Å; K49-I57 WeakPolarHBondContact CE-O 3.48Å; K49-I57 PolarHBondContact NZ-O 3.37Å; G54-I57 WeakPolarHBondContact O-CG1 3.25Å; G54-I57 PolarHBondContact O-N 3.28Å; I57-E61 HydrophobicContact CG2-CB 4.01Å; I57-E61 HydrophobicContact CG2-CG 4.21Å; I57-A62 HydrophobicContact CG2-CB 3.95Å; I57-Y84 VanDerWaalsContact CD1-OH 3.3Å; I57-Y84 WeakPolarHBondContact CD1-OH 3.33Å
58	Q	90.5	Very high	88.8	Confident	139 Å²	139	64 Å²	64	65%	0.65	36%	0.355	S	S	*	.			trans	-62.9	153.5	178.7	-60.1	-165.9	32.9	0	0	111.1	D60 E61 A62	Q58-D60 VanDerWaalsContact C-N 3.33Å; Q58-D60 WeakPolarHBondContact CB-OD1 3.38Å; Q58-D60 PolarHBondContact O-N 2.79Å; Q58-E61 PolarHBondContact O-N 3.1Å; Q58-A62 WeakPolarHBondContact O-CB 3.31Å; Q58-A62 PolarHBondContact O-N 3.34Å
59	Q	89.9	Confident	88.9	Confident	75 Å²	75	64.6 Å²	64.6	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-64.9	-38	-172.7	-175.1	61	19.5	0	0	112.2	A62 E63	Q59-A62 PolarHBondContact O-N 3.22Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.36Å; Q59-E63 PolarHBondContact NE2-OE1 3.08Å; Q59-E63 WeakPolarHBondContact O-CB 3.46Å; Q59-E63 WeakPolarHBondContact O-CG 3.34Å; Q59-E63 PolarHBondContact O-N 2.86Å
60	D	91.4	Very high	89	Confident	70 Å²	70	61.8 Å²	61.8	37%	0.374	35%	0.345	S	S	.	.	H	α-helix	trans	-69.1	-40.1	177	75.6	-54.2	0	0	0	112.1	Q58 A62 E63 K64	Q58-D60 VanDerWaalsContact C-N 3.33Å; Q58-D60 WeakPolarHBondContact CB-OD1 3.38Å; Q58-D60 PolarHBondContact O-N 2.79Å; D60-A62 VanDerWaalsContact C-N 3.32Å; D60-E63 PolarHBondContact O-N 3.23Å; D60-K64 WeakPolarHBondContact O-CB 3.41Å; D60-K64 VanDerWaalsContact O-CD 3.32Å; D60-K64 WeakPolarHBondContact O-CD 3.47Å; D60-K64 WeakPolarHBondContact O-CG 3.47Å; D60-K64 PolarHBondContact O-N 3.19Å; D60-K64 IonicContact OD2-NZ 3.41Å; D60-K64 PolarHBondContact OD2-NZ 2.78Å
61	E	90.6	Very high	89	Confident	87 Å²	87	58.8 Å²	58.8	41%	0.407	32%	0.32	S	S	.	.	H	α-helix	trans	-61.6	-43.5	173.2	-167.6	-161.9	159.5	0	0	110.3	I57 Q58 E63 K64 A65	I57-E61 HydrophobicContact CG2-CB 4.01Å; I57-E61 HydrophobicContact CG2-CG 4.21Å; Q58-E61 PolarHBondContact O-N 3.1Å; E61-E63 PolarHBondContact O-N 3.35Å; E61-K64 PolarHBondContact O-N 3.03Å; E61-A65 VanDerWaalsContact O-CB 3.28Å; E61-A65 WeakPolarHBondContact O-CB 3.23Å; E61-A65 PolarHBondContact O-N 2.74Å
62	A	92.3	Very high	89.2	Confident	2 Å²	2	57.4 Å²	57.4	2%	0.017	31%	0.314	C	S	.	.	H	α-helix	trans	-64.6	-37.6	177.7	0	0	0	0	0	112.3	I45 I57 Q58 Q59 D60 A66	I45-A62 HydrophobicContact CD1-CB 4.4Å; I45-A62 HydrophobicContact CG1-CB 4.02Å; I45-A62 HydrophobicContact CG2-CB 3.98Å; I57-A62 HydrophobicContact CG2-CB 3.95Å; Q58-A62 WeakPolarHBondContact O-CB 3.31Å; Q58-A62 PolarHBondContact O-N 3.34Å; Q59-A62 PolarHBondContact O-N 3.22Å; D60-A62 VanDerWaalsContact C-N 3.32Å; A62-A66 WeakPolarHBondContact O-CB 3.21Å; A62-A66 PolarHBondContact O-N 3.19Å
63	E	93.2	Very high	89.7	Confident	70 Å²	70	52.4 Å²	52.4	33%	0.327	28%	0.277	S	S	.	.	H	α-helix	trans	-72.9	-42	175.9	-76.2	172.2	-167.6	0	0	112.6	I41 I45 Q59 D60 E61 A65 A66 H67	I41-E63 HydrophobicContact CG2-CG 4.33Å; I45-E63 HydrophobicContact CD1-CB 4.43Å; I45-E63 HydrophobicContact CD1-CG 3.47Å; I45-E63 VanDerWaalsContact CD1-CG 3.47Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.36Å; Q59-E63 PolarHBondContact NE2-OE1 3.08Å; Q59-E63 WeakPolarHBondContact O-CB 3.46Å; Q59-E63 WeakPolarHBondContact O-CG 3.34Å; Q59-E63 PolarHBondContact O-N 2.86Å; D60-E63 PolarHBondContact O-N 3.23Å; E61-E63 PolarHBondContact O-N 3.35Å; E63-A65 VanDerWaalsContact C-N 3.3Å; E63-A65 PolarHBondContact O-N 3.46Å; E63-A66 WeakPolarHBondContact O-CB 3.37Å; E63-A66 PolarHBondContact O-N 3.36Å; E63-A66 VanDerWaalsContact O-N 3.16Å; E63-H67 PolarHBondContact O-N 3.17Å; E63-H67 PolarHBondContact O-ND1 2.89Å
64	K	93	Very high	90.3	Very high	134 Å²	134	56.6 Å²	56.6	58%	0.583	28%	0.278	S	S	*	.	H	α-helix	trans	-58.5	-43.3	171.5	-71	160.1	-173.3	169.8	0	110.8	D60 E61 L68	D60-K64 WeakPolarHBondContact O-CB 3.41Å; D60-K64 VanDerWaalsContact O-CD 3.32Å; D60-K64 WeakPolarHBondContact O-CD 3.47Å; D60-K64 WeakPolarHBondContact O-CG 3.47Å; D60-K64 PolarHBondContact O-N 3.19Å; D60-K64 IonicContact OD2-NZ 3.41Å; D60-K64 PolarHBondContact OD2-NZ 2.78Å; E61-K64 PolarHBondContact O-N 3.03Å; K64-L68 PolarHBondContact O-N 2.77Å
65	A	93.9	Very high	90.9	Very high	15 Å²	15	60 Å²	60	12%	0.124	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-43.6	173.2	0	0	0	0	0	112.1	F44 E61 E63 H67 L68 Y69	F44-A65 HydrophobicContact CE1-CB 4.1Å; E61-A65 VanDerWaalsContact O-CB 3.28Å; E61-A65 WeakPolarHBondContact O-CB 3.23Å; E61-A65 PolarHBondContact O-N 2.74Å; E63-A65 VanDerWaalsContact C-N 3.3Å; E63-A65 PolarHBondContact O-N 3.46Å; A65-H67 PolarHBondContact O-N 3.22Å; A65-L68 PolarHBondContact O-N 3.49Å; A65-Y69 HydrophobicContact CB-CD2 4.31Å; A65-Y69 WeakPolarHBondContact O-CB 3.07Å; A65-Y69 VanDerWaalsContact O-CD2 3.24Å; A65-Y69 WeakPolarHBondContact O-CD2 3.42Å; A65-Y69 PolarHBondContact O-N 2.86Å
66	A	95.6	Very high	91.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-49.8	177.7	0	0	0	0	0	111.6	I41 F44 I45 A62 E63 L68 L70	I41-A66 HydrophobicContact CB-CB 4.4Å; I41-A66 HydrophobicContact CG1-CB 4.45Å; I41-A66 HydrophobicContact CG2-CB 3.93Å; F44-A66 HydrophobicContact CB-CB 4.4Å; F44-A66 VanDerWaalsContact CD1-CA 3.44Å; F44-A66 HydrophobicContact CD1-CB 3.57Å; F44-A66 HydrophobicContact CE1-CB 4.15Å; F44-A66 HydrophobicContact CG-CB 4.22Å; I45-A66 HydrophobicContact CD1-CB 4.44Å; I45-A66 HydrophobicContact CG1-CB 4.2Å; A62-A66 WeakPolarHBondContact O-CB 3.21Å; A62-A66 PolarHBondContact O-N 3.19Å; E63-A66 WeakPolarHBondContact O-CB 3.37Å; E63-A66 PolarHBondContact O-N 3.36Å; E63-A66 VanDerWaalsContact O-N 3.16Å; A66-L68 PolarHBondContact O-N 3.41Å; A66-L70 HydrophobicContact CB-CD1 4.25Å; A66-L70 WeakPolarHBondContact O-CB 3.48Å; A66-L70 WeakPolarHBondContact O-CD1 3.42Å; A66-L70 WeakPolarHBondContact O-CG 3.45Å; A66-L70 PolarHBondContact O-N 2.89Å
67	H	93.9	Very high	92.3	Very high	57 Å²	57	51.6 Å²	51.6	26%	0.264	24%	0.241	S	C	.	.	H	α-helix	trans	-56.4	-53.2	178.1	-73.3	85.2	0	0	0	112.2	L36 E63 A65 R71	L36-H67 HydrophobicContact CD1-CB 4.38Å; E63-H67 PolarHBondContact O-N 3.17Å; E63-H67 PolarHBondContact O-ND1 2.89Å; A65-H67 PolarHBondContact O-N 3.22Å; H67-R71 VanDerWaalsContact O-CB 3.28Å; H67-R71 WeakPolarHBondContact O-CB 3.37Å; H67-R71 WeakPolarHBondContact O-CD 3.49Å; H67-R71 VanDerWaalsContact O-CG 3.23Å; H67-R71 WeakPolarHBondContact O-CG 3.29Å; H67-R71 PolarHBondContact O-N 3.13Å; H67-R71 VanDerWaalsContact O-N 3.09Å
68	L	94.6	Very high	92.8	Very high	31 Å²	31	56 Å²	56	16%	0.162	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-51.1	-177.9	177.7	60.3	0	0	0	112.4	K64 A65 A66 A72 M160 Q166 P201	K64-L68 PolarHBondContact O-N 2.77Å; A65-L68 PolarHBondContact O-N 3.49Å; A66-L68 PolarHBondContact O-N 3.41Å; L68-A72 WeakPolarHBondContact O-CB 3.03Å; L68-A72 PolarHBondContact O-N 3.45Å; L68-A72 VanDerWaalsContact O-N 3.07Å; L68-M160 HydrophobicContact CD1-CB 3.95Å; L68-M160 HydrophobicContact CD1-CG 4.35Å; L68-M160 HydrophobicContact CD1-SD 4.19Å; L68-Q166 HydrophobicContact CD1-CG 3.93Å; L68-P201 HydrophobicContact CD1-CB 4.48Å; L68-P201 HydrophobicContact CD1-CG 4.49Å; L68-P201 WeakPolarHBondContact CD1-O 3.28Å; L68-P201 HydrophobicContact CD2-CB 4.3Å; L68-P201 HydrophobicContact CD2-CG 3.89Å; L68-P201 HydrophobicContact CG-CB 4.03Å; L68-P201 HydrophobicContact CG-CG 4.13Å
69	Y	95.9	Very high	93	Very high	14 Å²	14	55.8 Å²	55.8	6%	0.055	25%	0.254	C	S	.	.	H	α-helix	trans	-75.4	-33.6	-173.4	-77.1	-99.2	0	0	0	113	F44 A65 R73 A80 L83 Y84 N87 P201	F44-Y69 HydrophobicContact CE2-CG 4.35Å; F44-Y69 HydrophobicContact CZ-CD2 4.4Å; F44-Y69 HydrophobicContact CZ-CG 4.07Å; A65-Y69 HydrophobicContact CB-CD2 4.31Å; A65-Y69 WeakPolarHBondContact O-CB 3.07Å; A65-Y69 VanDerWaalsContact O-CD2 3.24Å; A65-Y69 WeakPolarHBondContact O-CD2 3.42Å; A65-Y69 PolarHBondContact O-N 2.86Å; Y69-R73 PolarHBondContact O-N 3.37Å; Y69-A80 WeakPolarHBondContact O-CB 3.39Å; Y69-L83 HydrophobicContact CD1-CB 4Å; Y69-L83 HydrophobicContact CD1-CD2 3.91Å; Y69-L83 HydrophobicContact CD1-CG 3.61Å; Y69-L83 HydrophobicContact CE1-CB 4.41Å; Y69-L83 HydrophobicContact CE1-CD2 4.38Å; Y69-L83 HydrophobicContact CE1-CG 3.77Å; Y69-Y84 HydrophobicContact CD1-CD2 4.47Å; Y69-Y84 HydrophobicContact CD2-CD2 4.33Å; Y69-Y84 HydrophobicContact CE1-CD2 4.19Å; Y69-Y84 HydrophobicContact CE2-CD2 4Å; Y69-Y84 AromaticContact CZ-CD2 3.93Å; Y69-N87 HydrophobicContact CE1-CB 4.15Å; Y69-N87 VanDerWaalsContact OH-CB 3.32Å; Y69-N87 WeakPolarHBondContact OH-CB 3.31Å; Y69-N87 PolarHBondContact OH-OD1 2.65Å; Y69-P201 HydrophobicContact CD1-CB 3.93Å; Y69-P201 HydrophobicContact CD2-CB 4.24Å; Y69-P201 HydrophobicContact CE1-CB 3.65Å; Y69-P201 HydrophobicContact CE1-CG 4.31Å; Y69-P201 HydrophobicContact CE2-CB 4.04Å; Y69-P201 HydrophobicContact CE2-CG 4.26Å; Y69-P201 HydrophobicContact CG-CB 4.21Å
70	L	95	Very high	93.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-70.5	-43.4	174.5	-67.9	167.3	0	0	0	111.5	L36 E40 I41 F44 A66 A72 R73 K74 R75 V77 A80	L36-L70 HydrophobicContact CD1-CB 3.93Å; L36-L70 HydrophobicContact CD1-CD1 4.19Å; L36-L70 HydrophobicContact CD2-CB 3.68Å; L36-L70 HydrophobicContact CD2-CD1 4.23Å; L36-L70 HydrophobicContact CG-CB 4.5Å; E40-L70 HydrophobicContact CB-CD1 4.21Å; I41-L70 HydrophobicContact CG1-CD1 4.28Å; F44-L70 HydrophobicContact CB-CD1 4.15Å; F44-L70 HydrophobicContact CB-CD2 4.33Å; F44-L70 HydrophobicContact CB-CG 4.36Å; F44-L70 HydrophobicContact CD2-CD2 4.44Å; F44-L70 HydrophobicContact CD2-CG 4.45Å; A66-L70 HydrophobicContact CB-CD1 4.25Å; A66-L70 WeakPolarHBondContact O-CB 3.48Å; A66-L70 WeakPolarHBondContact O-CD1 3.42Å; A66-L70 WeakPolarHBondContact O-CG 3.45Å; A66-L70 PolarHBondContact O-N 2.89Å; L70-A72 PolarHBondContact O-N 3.16Å; L70-R73 CarbonylContact O-C 3.57Å; L70-R73 PolarHBondContact O-N 3.34Å; L70-K74 PolarHBondContact O-N 3.43Å; L70-R75 PolarHBondContact O-N 3Å; L70-V77 HydrophobicContact CD2-CB 4.35Å; L70-V77 HydrophobicContact CD2-CG2 3.93Å; L70-A80 HydrophobicContact CD2-CB 3.79Å; L70-A80 HydrophobicContact CG-CB 4.31Å
71	R	92.3	Very high	93.5	Very high	29 Å²	29	49.2 Å²	49.2	11%	0.109	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-46.4	174.1	-76.3	169.9	175.6	156.8	-2.4	111.4	L36 H67 R73 K74 E163 Q166	L36-R71 HydrophobicContact CD1-CG 4.27Å; H67-R71 VanDerWaalsContact O-CB 3.28Å; H67-R71 WeakPolarHBondContact O-CB 3.37Å; H67-R71 WeakPolarHBondContact O-CD 3.49Å; H67-R71 VanDerWaalsContact O-CG 3.23Å; H67-R71 WeakPolarHBondContact O-CG 3.29Å; H67-R71 PolarHBondContact O-N 3.13Å; H67-R71 VanDerWaalsContact O-N 3.09Å; R71-R73 PolarHBondContact O-N 3.27Å; R71-K74 PolarHBondContact O-N 2.75Å; R71-E163 IonicContact CZ-OE1 3.42Å; R71-E163 IonicContact NH1-OE1 2.64Å; R71-E163 PolarHBondContact NH1-OE1 3.43Å; R71-E163 IonicContact NH2-OE1 2.77Å; R71-E163 PolarHBondContact NH2-OE1 2.67Å; R71-Q166 VanDerWaalsContact CD-OE1 3.32Å
72	A	92.4	Very high	93.7	Very high	9 Å²	9	50.3 Å²	50.3	7%	0.074	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.5	175.5	0	0	0	0	0	114.5	L68 L70 L83 P201	L68-A72 WeakPolarHBondContact O-CB 3.03Å; L68-A72 PolarHBondContact O-N 3.45Å; L68-A72 VanDerWaalsContact O-N 3.07Å; L70-A72 PolarHBondContact O-N 3.16Å; A72-L83 HydrophobicContact CB-CD2 3.8Å; A72-P201 VanDerWaalsContact CB-C 3.48Å; A72-P201 WeakPolarHBondContact CB-O 3.47Å
73	R	92.4	Very high	93.8	Very high	35 Å²	35	50.4 Å²	50.4	13%	0.132	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	6.7	-177.3	-66.9	-68.9	175.9	-92.8	3.8	115.6	Y69 L70 R71 D76 R79 A80 L83 G198	Y69-R73 PolarHBondContact O-N 3.37Å; L70-R73 CarbonylContact O-C 3.57Å; L70-R73 PolarHBondContact O-N 3.34Å; R71-R73 PolarHBondContact O-N 3.27Å; R73-D76 HydrophobicContact CB-CB 4.47Å; R73-D76 WeakPolarHBondContact O-CB 3.34Å; R73-R79 HydrophobicContact CB-CB 4.37Å; R73-R79 HydrophobicContact CG-CB 4.33Å; R73-R79 WeakPolarHBondContact CG-O 3.36Å; R73-A80 HydrophobicContact CB-CB 4.37Å; R73-L83 HydrophobicContact CG-CB 4.42Å; R73-L83 HydrophobicContact CG-CD2 3.92Å; R73-G198 VanDerWaalsContact NH2-CA 3.33Å; R73-G198 PolarHBondContact NH2-O 3.24Å
74	K	89.1	Confident	93.9	Very high	151 Å²	151	48.1 Å²	48.1	66%	0.657	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	57.3	-174.4	-56.3	-173.4	172.1	-163	0	112.1	L70 R71 D76	L70-K74 PolarHBondContact O-N 3.43Å; R71-K74 PolarHBondContact O-N 2.75Å; K74-D76 PolarHBondContact O-N 3.21Å
75	R	90.1	Very high	93.9	Very high	76 Å²	76	45.6 Å²	45.6	29%	0.287	21%	0.205	S	C	.	.	S	Bend	trans	68.1	-11.4	173.9	-40.2	173.7	71.9	115	10.3	115.7	P33 D35 L36 E40 L70 V77	P33-R75 PolarHBondContact O-NH1 2.87Å; D35-R75 PolarHBondContact O-NH1 2.81Å; D35-R75 PolarHBondContact O-NH2 2.89Å; L36-R75 HydrophobicContact CD2-CB 4.33Å; L36-R75 HydrophobicContact CD2-CG 3.97Å; E40-R75 WeakPolarHBondContact OE1-CB 3.24Å; E40-R75 IonicContact OE1-CZ 2.73Å; E40-R75 IonicContact OE1-NE 2.93Å; E40-R75 PolarHBondContact OE1-NE 3.15Å; E40-R75 IonicContact OE1-NH2 3.39Å; E40-R75 PolarHBondContact OE1-NH2 2.85Å; E40-R75 IonicContact OE2-CZ 3.31Å; E40-R75 VanDerWaalsContact OE2-CZ 3.29Å; E40-R75 IonicContact OE2-NE 3.71Å; E40-R75 PolarHBondContact OE2-NE 2.86Å; E40-R75 VanDerWaalsContact OE2-NE 3.13Å; E40-R75 IonicContact OE2-NH2 3.84Å; E40-R75 PolarHBondContact OE2-NH2 2.83Å; L70-R75 PolarHBondContact O-N 3Å; R75-V77 PolarHBondContact O-N 3.21Å
76	D	92.9	Very high	93.8	Very high	52 Å²	52	46.5 Å²	46.5	28%	0.278	21%	0.212	S	C	.	.			trans	-60.9	99.2	175.3	-172.7	-42.2	0	0	0	111.9	R73 K74 R79 A80	R73-D76 HydrophobicContact CB-CB 4.47Å; R73-D76 WeakPolarHBondContact O-CB 3.34Å; K74-D76 PolarHBondContact O-N 3.21Å; D76-R79 HydrophobicContact CB-CB 4.33Å; D76-R79 PolarHBondContact O-N 3.22Å; D76-R79 WeakPolarHBondContact OD1-CB 3.4Å; D76-R79 VanDerWaalsContact OD1-CG 3.29Å; D76-R79 WeakPolarHBondContact OD1-CG 3.45Å; D76-R79 PolarHBondContact OD1-N 2.81Å; D76-R79 WeakPolarHBondContact OD2-CD 3.29Å; D76-R79 IonicContact OD2-CZ 2.67Å; D76-R79 IonicContact OD2-NE 2.69Å; D76-R79 IonicContact OD2-NH1 3.45Å; D76-R79 PolarHBondContact OD2-NH1 3.09Å; D76-A80 VanDerWaalsContact O-CB 3.31Å; D76-A80 WeakPolarHBondContact O-CB 3.39Å; D76-A80 PolarHBondContact O-N 3.48Å
77	V	95.2	Very high	93.7	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.097	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-45.7	-172.5	-177.3	0	0	0	0	111.5	E40 A43 F44 K47 L70 R75 R79 A80 V81	E40-V77 HydrophobicContact CB-CG2 4.5Å; A43-V77 HydrophobicContact CB-CG1 4.18Å; A43-V77 HydrophobicContact CB-CG2 4.38Å; F44-V77 HydrophobicContact CB-CG1 4.18Å; K47-V77 HydrophobicContact CD-CG1 3.89Å; L70-V77 HydrophobicContact CD2-CB 4.35Å; L70-V77 HydrophobicContact CD2-CG2 3.93Å; R75-V77 PolarHBondContact O-N 3.21Å; V77-R79 PolarHBondContact O-N 2.87Å; V77-A80 PolarHBondContact O-N 3.06Å; V77-V81 HydrophobicContact CG1-CG2 4.48Å; V77-V81 WeakPolarHBondContact O-CG2 3.39Å; V77-V81 PolarHBondContact O-N 2.93Å
78	E	95.3	Very high	93.5	Very high	115 Å²	115	48.1 Å²	48.1	54%	0.537	22%	0.218	S	C	.	.	H	α-helix	trans	-54.7	-50.8	176.3	-78.6	58.3	-141.5	0	0	111	K47 A80 V81 E82	K47-E78 IonicContact NZ-OE1 3.77Å; K47-E78 PolarHBondContact NZ-OE1 3.45Å; K47-E78 IonicContact NZ-OE2 3.83Å; E78-A80 VanDerWaalsContact C-N 3.35Å; E78-V81 PolarHBondContact O-N 3.12Å; E78-E82 PolarHBondContact O-N 3.42Å
79	R	94.3	Very high	93.3	Very high	133 Å²	133	55.8 Å²	55.8	50%	0.502	25%	0.245	S	C	.	.	H	α-helix	trans	-76.5	-21.9	-178.1	-67.4	177.1	40.6	-113.8	-0.5	113.1	R73 D76 V77 L83	R73-R79 HydrophobicContact CB-CB 4.37Å; R73-R79 HydrophobicContact CG-CB 4.33Å; R73-R79 WeakPolarHBondContact CG-O 3.36Å; D76-R79 HydrophobicContact CB-CB 4.33Å; D76-R79 PolarHBondContact O-N 3.22Å; D76-R79 WeakPolarHBondContact OD1-CB 3.4Å; D76-R79 VanDerWaalsContact OD1-CG 3.29Å; D76-R79 WeakPolarHBondContact OD1-CG 3.45Å; D76-R79 PolarHBondContact OD1-N 2.81Å; D76-R79 WeakPolarHBondContact OD2-CD 3.29Å; D76-R79 IonicContact OD2-CZ 2.67Å; D76-R79 IonicContact OD2-NE 2.69Å; D76-R79 IonicContact OD2-NH1 3.45Å; D76-R79 PolarHBondContact OD2-NH1 3.09Å; V77-R79 PolarHBondContact O-N 2.87Å; R79-L83 WeakPolarHBondContact O-CB 3.3Å; R79-L83 PolarHBondContact O-N 3.4Å; R79-L83 VanDerWaalsContact O-N 3.1Å
80	A	95.7	Very high	93.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.1	-44.4	168.2	0	0	0	0	0	111.5	F44 Y69 L70 R73 D76 V77 E78 L83 Y84	F44-A80 HydrophobicContact CD2-CB 3.77Å; F44-A80 HydrophobicContact CE2-CB 3.83Å; Y69-A80 WeakPolarHBondContact O-CB 3.39Å; L70-A80 HydrophobicContact CD2-CB 3.79Å; L70-A80 HydrophobicContact CG-CB 4.31Å; R73-A80 HydrophobicContact CB-CB 4.37Å; D76-A80 VanDerWaalsContact O-CB 3.31Å; D76-A80 WeakPolarHBondContact O-CB 3.39Å; D76-A80 PolarHBondContact O-N 3.48Å; V77-A80 PolarHBondContact O-N 3.06Å; E78-A80 VanDerWaalsContact C-N 3.35Å; A80-L83 WeakPolarHBondContact O-CB 3.29Å; A80-L83 PolarHBondContact O-N 3.44Å; A80-Y84 PolarHBondContact O-N 3.15Å
81	V	95.5	Very high	92.9	Very high	8 Å²	8	57.8 Å²	57.8	5%	0.048	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-40	176.6	170.4	0	0	0	0	111.7	F44 K47 V48 V77 E78 L83 Y84 K85	F44-V81 HydrophobicContact CD2-CG2 3.76Å; F44-V81 HydrophobicContact CE2-CG2 4.1Å; K47-V81 HydrophobicContact CB-CG1 4.43Å; K47-V81 HydrophobicContact CB-CG2 3.74Å; K47-V81 HydrophobicContact CD-CG2 4.14Å; V48-V81 HydrophobicContact CG2-CG2 4.44Å; V77-V81 HydrophobicContact CG1-CG2 4.48Å; V77-V81 WeakPolarHBondContact O-CG2 3.39Å; V77-V81 PolarHBondContact O-N 2.93Å; E78-V81 PolarHBondContact O-N 3.12Å; V81-L83 VanDerWaalsContact C-N 3.32Å; V81-L83 PolarHBondContact O-N 2.98Å; V81-Y84 WeakPolarHBondContact O-CB 3.47Å; V81-Y84 PolarHBondContact O-N 3.48Å; V81-K85 WeakPolarHBondContact O-CG 3.36Å; V81-K85 PolarHBondContact O-N 3.02Å
82	E	94.1	Very high	92.7	Very high	109 Å²	109	64.6 Å²	64.6	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-66.4	-33	172.7	-71.3	-54.2	123.7	0	0	112.9	E78 K85 A86	E78-E82 PolarHBondContact O-N 3.42Å; E82-K85 WeakPolarHBondContact OE1-CD 3.47Å; E82-K85 WeakPolarHBondContact OE1-CE 3.46Å; E82-K85 IonicContact OE1-NZ 3.13Å; E82-K85 PolarHBondContact OE1-NZ 3.4Å; E82-A86 VanDerWaalsContact O-CB 3.31Å; E82-A86 WeakPolarHBondContact O-CB 3.39Å; E82-A86 PolarHBondContact O-N 2.88Å
83	L	94.7	Very high	92.5	Very high	4 Å²	4	69 Å²	69	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-66.3	-40.6	171	177.2	54.8	0	0	0	111.8	Y69 A72 R73 R79 A80 V81 A86 N87 G198 V199 P201	Y69-L83 HydrophobicContact CD1-CB 4Å; Y69-L83 HydrophobicContact CD1-CD2 3.91Å; Y69-L83 HydrophobicContact CD1-CG 3.61Å; Y69-L83 HydrophobicContact CE1-CB 4.41Å; Y69-L83 HydrophobicContact CE1-CD2 4.38Å; Y69-L83 HydrophobicContact CE1-CG 3.77Å; A72-L83 HydrophobicContact CB-CD2 3.8Å; R73-L83 HydrophobicContact CG-CB 4.42Å; R73-L83 HydrophobicContact CG-CD2 3.92Å; R79-L83 WeakPolarHBondContact O-CB 3.3Å; R79-L83 PolarHBondContact O-N 3.4Å; R79-L83 VanDerWaalsContact O-N 3.1Å; A80-L83 WeakPolarHBondContact O-CB 3.29Å; A80-L83 PolarHBondContact O-N 3.44Å; V81-L83 VanDerWaalsContact C-N 3.32Å; V81-L83 PolarHBondContact O-N 2.98Å; L83-A86 PolarHBondContact O-N 3.43Å; L83-N87 WeakPolarHBondContact O-CB 3.25Å; L83-N87 PolarHBondContact O-N 3.18Å; L83-G198 VanDerWaalsContact CD1-O 3.23Å; L83-G198 WeakPolarHBondContact CD1-O 3.37Å; L83-V199 WeakPolarHBondContact CD1-O 3.32Å; L83-P201 HydrophobicContact CD2-CB 4.02Å; L83-P201 HydrophobicContact CG-CB 4.42Å
84	Y	95	Very high	92.1	Very high	22 Å²	22	69.9 Å²	69.9	9%	0.086	31%	0.313	C	S	.	.	H	α-helix	trans	-59.4	-49.7	175.8	-177	-90	0	0	0	111.8	F44 V48 L51 I57 Y69 A80 V81 A86 N87 K88	F44-Y84 HydrophobicContact CZ-CD2 4.15Å; F44-Y84 HydrophobicContact CZ-CG 4.4Å; V48-Y84 HydrophobicContact CG1-CD1 4.28Å; V48-Y84 HydrophobicContact CG1-CE1 3.76Å; V48-Y84 HydrophobicContact CG1-CE2 4.31Å; V48-Y84 HydrophobicContact CG2-CD1 4.08Å; V48-Y84 HydrophobicContact CG2-CE1 4.39Å; V48-Y84 HydrophobicContact CG2-CG 4.16Å; L51-Y84 HydrophobicContact CD1-CD1 4.04Å; L51-Y84 HydrophobicContact CD1-CE1 4.26Å; I57-Y84 VanDerWaalsContact CD1-OH 3.3Å; I57-Y84 WeakPolarHBondContact CD1-OH 3.33Å; Y69-Y84 HydrophobicContact CD1-CD2 4.47Å; Y69-Y84 HydrophobicContact CD2-CD2 4.33Å; Y69-Y84 HydrophobicContact CE1-CD2 4.19Å; Y69-Y84 HydrophobicContact CE2-CD2 4Å; Y69-Y84 AromaticContact CZ-CD2 3.93Å; A80-Y84 PolarHBondContact O-N 3.15Å; V81-Y84 WeakPolarHBondContact O-CB 3.47Å; V81-Y84 PolarHBondContact O-N 3.48Å; Y84-A86 VanDerWaalsContact C-N 3.33Å; Y84-A86 PolarHBondContact O-N 3.28Å; Y84-N87 PolarHBondContact O-N 3.41Å; Y84-K88 HydrophobicContact CE1-CG 4.1Å; Y84-K88 HydrophobicContact CE2-CG 4.49Å; Y84-K88 PolarHBondContact O-N 2.83Å; Y84-K88 VanDerWaalsContact O-N 3.08Å; Y84-K88 WeakPolarHBondContact OH-CE 3.49Å
85	K	93	Very high	92	Very high	82 Å²	82	68 Å²	68	36%	0.357	31%	0.31	S	S	.	.	H	α-helix	trans	-57.3	-44.5	173.7	-67.8	169.8	-173.6	172.2	0	112.1	L51 V81 E82 R89	L51-K85 HydrophobicContact CD1-CG 3.94Å; V81-K85 WeakPolarHBondContact O-CG 3.36Å; V81-K85 PolarHBondContact O-N 3.02Å; E82-K85 WeakPolarHBondContact OE1-CD 3.47Å; E82-K85 WeakPolarHBondContact OE1-CE 3.46Å; E82-K85 IonicContact OE1-NZ 3.13Å; E82-K85 PolarHBondContact OE1-NZ 3.4Å; K85-R89 VanDerWaalsContact O-CB 3.28Å; K85-R89 WeakPolarHBondContact O-CB 3.02Å; K85-R89 PolarHBondContact O-N 3.41Å; K85-R89 VanDerWaalsContact O-N 3.07Å
86	A	91.9	Very high	92	Very high	34 Å²	34	64.4 Å²	64.4	28%	0.281	30%	0.297	S	S	.	.	H	α-helix	trans	-65.8	-41.8	179.8	0	0	0	0	0	112.5	E82 L83 Y84 M90	E82-A86 VanDerWaalsContact O-CB 3.31Å; E82-A86 WeakPolarHBondContact O-CB 3.39Å; E82-A86 PolarHBondContact O-N 2.88Å; L83-A86 PolarHBondContact O-N 3.43Å; Y84-A86 VanDerWaalsContact C-N 3.33Å; Y84-A86 PolarHBondContact O-N 3.28Å; A86-M90 WeakPolarHBondContact O-CB 3.42Å; A86-M90 PolarHBondContact O-N 2.8Å
87	N	93.4	Very high	91.6	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-66.3	-53.2	-179.8	-167.4	-100.4	0	0	0	111.7	Y69 L83 Y84 R89 M90 R91 V199	Y69-N87 HydrophobicContact CE1-CB 4.15Å; Y69-N87 VanDerWaalsContact OH-CB 3.32Å; Y69-N87 WeakPolarHBondContact OH-CB 3.31Å; Y69-N87 PolarHBondContact OH-OD1 2.65Å; L83-N87 WeakPolarHBondContact O-CB 3.25Å; L83-N87 PolarHBondContact O-N 3.18Å; Y84-N87 PolarHBondContact O-N 3.41Å; N87-R89 VanDerWaalsContact C-N 3.32Å; N87-R89 PolarHBondContact O-N 2.88Å; N87-M90 PolarHBondContact O-N 2.71Å; N87-M90 VanDerWaalsContact O-N 3.09Å; N87-R91 PolarHBondContact O-N 2.69Å; N87-R91 PolarHBondContact OD1-NE 3.09Å; N87-V199 WeakPolarHBondContact CB-O 3.39Å; N87-V199 PolarHBondContact ND2-O 3.37Å
88	K	91.1	Very high	91.2	Very high	87 Å²	87	69.8 Å²	69.8	38%	0.378	33%	0.333	S	S	.	.	H	α-helix	trans	-59	-41.4	178	-71.1	-74.5	-170.7	174.7	0	111.6	Y84 M90 R91 Y92	Y84-K88 HydrophobicContact CE1-CG 4.1Å; Y84-K88 HydrophobicContact CE2-CG 4.49Å; Y84-K88 PolarHBondContact O-N 2.83Å; Y84-K88 VanDerWaalsContact O-N 3.08Å; Y84-K88 WeakPolarHBondContact OH-CE 3.49Å; K88-M90 PolarHBondContact O-N 2.71Å; K88-R91 PolarHBondContact O-N 2.79Å; K88-Y92 WeakPolarHBondContact O-CB 3.34Å; K88-Y92 PolarHBondContact O-N 3.34Å; K88-Y92 VanDerWaalsContact O-N 3.12Å
89	R	90.1	Very high	91.2	Very high	192 Å²	192	65.2 Å²	65.2	73%	0.725	31%	0.312	S	S	*	.	H	α-helix	trans	-60.8	-43.5	173.9	-178.8	178.5	-68.6	-179.2	-1.4	112.3	K85 N87 T93	K85-R89 VanDerWaalsContact O-CB 3.28Å; K85-R89 WeakPolarHBondContact O-CB 3.02Å; K85-R89 PolarHBondContact O-N 3.41Å; K85-R89 VanDerWaalsContact O-N 3.07Å; N87-R89 VanDerWaalsContact C-N 3.32Å; N87-R89 PolarHBondContact O-N 2.88Å; R89-T93 WeakPolarHBondContact O-CB 3.42Å; R89-T93 PolarHBondContact O-N 3.29Å; R89-T93 PolarHBondContact O-OG1 2.89Å
90	M	91	Very high	91.1	Very high	29 Å²	29	60.9 Å²	60.9	14%	0.143	30%	0.299	C	S	.	.	H	α-helix	trans	-66.2	-46	-179.7	177.1	-79.4	-55.2	0	0	111.6	A86 N87 K88 Y92 T93 E94 V96 L195 V199	A86-M90 WeakPolarHBondContact O-CB 3.42Å; A86-M90 PolarHBondContact O-N 2.8Å; N87-M90 PolarHBondContact O-N 2.71Å; N87-M90 VanDerWaalsContact O-N 3.09Å; K88-M90 PolarHBondContact O-N 2.71Å; M90-Y92 VanDerWaalsContact C-N 3.33Å; M90-Y92 PolarHBondContact O-N 3.42Å; M90-T93 PolarHBondContact O-N 2.53Å; M90-T93 VanDerWaalsContact O-N 3.14Å; M90-E94 HydrophobicContact CG-CG 4.39Å; M90-E94 WeakPolarHBondContact O-CB 3.36Å; M90-E94 PolarHBondContact O-N 3.17Å; M90-E94 HydrophobicContact SD-CG 4.22Å; M90-V96 HydrophobicContact SD-CG2 4.38Å; M90-L195 HydrophobicContact CE-CD1 3.65Å; M90-L195 HydrophobicContact SD-CD1 4.41Å; M90-V199 HydrophobicContact CB-CG1 3.43Å; M90-V199 VanDerWaalsContact CB-CG1 3.43Å; M90-V199 HydrophobicContact CE-CG1 4.15Å; M90-V199 HydrophobicContact CG-CG1 3.74Å
91	R	91.9	Very high	91	Very high	27 Å²	27	60.9 Å²	60.9	10%	0.102	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-43.5	178.5	-69.3	-169	-170.7	-105.7	1.9	112.1	N87 K88 N95 V96 D97 D157	N87-R91 PolarHBondContact O-N 2.69Å; N87-R91 PolarHBondContact OD1-NE 3.09Å; K88-R91 PolarHBondContact O-N 2.79Å; R91-N95 WeakPolarHBondContact O-CA 3.49Å; R91-N95 PolarHBondContact O-N 3.19Å; R91-V96 HydrophobicContact CB-CG2 4.21Å; R91-V96 HydrophobicContact CG-CG2 4.24Å; R91-V96 PolarHBondContact O-N 3.34Å; R91-D97 HydrophobicContact CB-CB 4.5Å; R91-D97 WeakPolarHBondContact CB-OD1 3.41Å; R91-D157 IonicContact CZ-OD1 3.05Å; R91-D157 IonicContact CZ-OD2 3.95Å; R91-D157 VanDerWaalsContact CZ-OD2 3.23Å; R91-D157 IonicContact NH1-OD2 2.67Å; R91-D157 PolarHBondContact NH1-OD2 2.93Å; R91-D157 IonicContact NH2-OD1 3.21Å; R91-D157 PolarHBondContact NH2-OD1 3.24Å; R91-D157 IonicContact NH2-OD2 3.65Å; R91-D157 PolarHBondContact NH2-OD2 3.07Å
92	Y	88.6	Confident	90.9	Very high	173 Å²	173	62.6 Å²	62.6	68%	0.678	31%	0.307	S	S	*	.	H	α-helix	trans	-61.7	-46.3	172.3	-179	-102	0	0	0	113	K88 M90 E94 N95 D97	K88-Y92 WeakPolarHBondContact O-CB 3.34Å; K88-Y92 PolarHBondContact O-N 3.34Å; K88-Y92 VanDerWaalsContact O-N 3.12Å; M90-Y92 VanDerWaalsContact C-N 3.33Å; M90-Y92 PolarHBondContact O-N 3.42Å; Y92-E94 VanDerWaalsContact C-N 3.34Å; Y92-E94 PolarHBondContact O-N 3.31Å; Y92-N95 PolarHBondContact O-N 3.03Å; Y92-D97 WeakPolarHBondContact CA-OD2 3.45Å; Y92-D97 PolarHBondContact N-OD2 2.9Å
93	T	86.4	Confident	90.7	Very high	102 Å²	102	60.4 Å²	60.4	63%	0.626	30%	0.297	S	S	*	.	H	α-helix	trans	-68.6	-30.9	-176.3	-52.3	0	0	0	0	113	R89 M90	R89-T93 WeakPolarHBondContact O-CB 3.42Å; R89-T93 PolarHBondContact O-N 3.29Å; R89-T93 PolarHBondContact O-OG1 2.89Å; M90-T93 PolarHBondContact O-N 2.53Å; M90-T93 VanDerWaalsContact O-N 3.14Å
94	E	85.1	Confident	90.2	Very high	53 Å²	53	65.3 Å²	65.3	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-97.4	0.5	178.9	-64.4	-76.4	178.9	0	0	112.8	M90 Y92 V96 L149 K191	M90-E94 HydrophobicContact CG-CG 4.39Å; M90-E94 WeakPolarHBondContact O-CB 3.36Å; M90-E94 PolarHBondContact O-N 3.17Å; M90-E94 HydrophobicContact SD-CG 4.22Å; Y92-E94 VanDerWaalsContact C-N 3.34Å; Y92-E94 PolarHBondContact O-N 3.31Å; E94-V96 HydrophobicContact CB-CG2 4.06Å; E94-L149 HydrophobicContact CB-CD2 3.82Å; E94-L149 HydrophobicContact CG-CD2 3.94Å; E94-K191 WeakPolarHBondContact OE1-CE 3.44Å; E94-K191 IonicContact OE1-NZ 3.44Å; E94-K191 VanDerWaalsContact OE2-CE 3.3Å; E94-K191 WeakPolarHBondContact OE2-CE 3.3Å; E94-K191 IonicContact OE2-NZ 2.75Å; E94-K191 PolarHBondContact OE2-NZ 3.11Å
95	N	87	Confident	89.8	Confident	112 Å²	112	64.7 Å²	64.7	60%	0.599	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	56.1	-175.3	-164.6	8	0	0	0	113.9	R91 Y92	R91-N95 WeakPolarHBondContact O-CA 3.49Å; R91-N95 PolarHBondContact O-N 3.19Å; Y92-N95 PolarHBondContact O-N 3.03Å
96	V	89.6	Confident	89.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.306	C	S	.	.			trans	-137	32.2	-178.6	-59.9	0	0	0	0	112.6	M90 R91 E94 R146 L149 K150 L153	M90-V96 HydrophobicContact SD-CG2 4.38Å; R91-V96 HydrophobicContact CB-CG2 4.21Å; R91-V96 HydrophobicContact CG-CG2 4.24Å; R91-V96 PolarHBondContact O-N 3.34Å; E94-V96 HydrophobicContact CB-CG2 4.06Å; V96-R146 HydrophobicContact CG1-CG 4.19Å; V96-L149 HydrophobicContact CG1-CD2 4.47Å; V96-L149 HydrophobicContact CG2-CD2 4.32Å; V96-K150 HydrophobicContact CB-CG 4.31Å; V96-K150 HydrophobicContact CG1-CG 3.58Å; V96-L153 HydrophobicContact CB-CD1 3.97Å; V96-L153 HydrophobicContact CG2-CD1 3.46Å; V96-L153 VanDerWaalsContact CG2-CD1 3.46Å
97	D	85.8	Confident	89.7	Confident	80 Å²	80	61.5 Å²	61.5	43%	0.428	30%	0.302	S	S	.	.	S	Bend	trans	-69.6	-34.4	173	-79.3	-51.8	0	0	0	112.9	R91 Y92	R91-D97 HydrophobicContact CB-CB 4.5Å; R91-D97 WeakPolarHBondContact CB-OD1 3.41Å; Y92-D97 WeakPolarHBondContact CA-OD2 3.45Å; Y92-D97 PolarHBondContact N-OD2 2.9Å
98	S	86.7	Confident	89.3	Confident	100 Å²	100	68.3 Å²	68.3	70%	0.699	33%	0.327	S	S	*	.	S	Bend	trans	-121.6	142.8	170.6	-172.8	0	0	0	0	109.6
99	I	93.4	Very high	89.4	Confident	19 Å²	19	64.8 Å²	64.8	10%	0.097	31%	0.312	C	S	.	.			trans	-138.7	109.8	-177	-50.8	173.2	0	0	0	108.4	V106 K150 L153 Y154	I99-V106 HydrophobicContact CG2-CG1 4.11Å; I99-K150 HydrophobicContact CG1-CG 4.25Å; I99-K150 HydrophobicContact CG2-CB 3.85Å; I99-K150 HydrophobicContact CG2-CD 4.45Å; I99-K150 HydrophobicContact CG2-CG 4.21Å; I99-L153 HydrophobicContact CD1-CB 3.55Å; I99-L153 HydrophobicContact CD1-CD1 4.35Å; I99-Y154 HydrophobicContact CG2-CD2 4.44Å
100	D	93.7	Very high	89.5	Confident	43 Å²	43	55.7 Å²	55.7	23%	0.23	28%	0.278	C	S	.	.			trans	-96.9	120	172.6	-163.4	-42.1	0	0	0	109.1	L102 E103 R280	D100-L102 PolarHBondContact O-N 2.81Å; D100-L102 WeakPolarHBondContact OD1-CB 3.23Å; D100-L102 WeakPolarHBondContact OD1-CG 3.38Å; D100-L102 PolarHBondContact OD1-N 3.05Å; D100-E103 WeakPolarHBondContact O-CB 3.43Å; D100-E103 PolarHBondContact O-N 3.32Å; D100-R280 IonicContact OD1-NH1 2.72Å; D100-R280 IonicContact OD1-NH2 3.21Å; D100-R280 IonicContact OD2-CZ 3.7Å; D100-R280 IonicContact OD2-NH1 3.87Å; D100-R280 PolarHBondContact OD2-NH1 2.88Å; D100-R280 IonicContact OD2-NH2 2.78Å; D100-R280 PolarHBondContact OD2-NH2 3.32Å
101	P	94	Very high	89.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-6.1	178.5	33.4	-38.9	0	0	0	113.5	L110 Y154 F272 H277 Y285	P101-L110 HydrophobicContact CB-CD1 3.66Å; P101-Y154 HydrophobicContact CB-CD1 4.49Å; P101-Y154 HydrophobicContact CB-CD2 4.39Å; P101-Y154 HydrophobicContact CB-CE1 3.99Å; P101-Y154 HydrophobicContact CB-CE2 3.9Å; P101-Y154 HydrophobicContact CG-CE2 3.77Å; P101-F272 HydrophobicContact CB-CE1 4.35Å; P101-F272 HydrophobicContact CB-CE2 3.87Å; P101-F272 HydrophobicContact CB-CZ 3.6Å; P101-F272 HydrophobicContact CG-CE1 3.87Å; P101-F272 HydrophobicContact CG-CE2 4.18Å; P101-F272 HydrophobicContact CG-CZ 3.63Å; P101-H277 VanDerWaalsContact CD-CD2 3.41Å; P101-H277 WeakPolarHBondContact CD-CD2 3.21Å; P101-H277 HydrophobicContact CG-CB 3.86Å; P101-Y285 WeakPolarHBondContact O-CE2 3.5Å; P101-Y285 PolarHBondContact O-OH 3.22Å
102	L	91.7	Very high	89	Confident	43 Å²	43	55.4 Å²	55.4	23%	0.225	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-11.6	173.8	-51.8	179.1	0	0	0	113.1	D100 D104 F272 R280 Y285	D100-L102 PolarHBondContact O-N 2.81Å; D100-L102 WeakPolarHBondContact OD1-CB 3.23Å; D100-L102 WeakPolarHBondContact OD1-CG 3.38Å; D100-L102 PolarHBondContact OD1-N 3.05Å; L102-D104 PolarHBondContact O-N 3.01Å; L102-F272 HydrophobicContact CD2-CE1 3.9Å; L102-F272 HydrophobicContact CD2-CZ 4.12Å; L102-R280 HydrophobicContact CD1-CB 3.8Å; L102-R280 WeakPolarHBondContact CD1-O 3.5Å; L102-Y285 HydrophobicContact CD2-CD2 3.83Å; L102-Y285 HydrophobicContact CD2-CE2 3.69Å
103	E	90.3	Very high	89	Confident	63 Å²	63	47.5 Å²	47.5	29%	0.294	25%	0.251	S	S	.	.	S	Bend	trans	-62.4	124.5	172.2	179.4	-176.3	165	0	0	109.7	D100 G105 V106 R107 R146 K150	D100-E103 WeakPolarHBondContact O-CB 3.43Å; D100-E103 PolarHBondContact O-N 3.32Å; E103-G105 VanDerWaalsContact C-N 3.27Å; E103-G105 PolarHBondContact O-N 3.35Å; E103-V106 HydrophobicContact CB-CB 4.25Å; E103-V106 HydrophobicContact CB-CG2 3.9Å; E103-V106 HydrophobicContact CG-CG2 4.1Å; E103-V106 CarbonylContact O-C 3.54Å; E103-V106 WeakPolarHBondContact O-CA 3.37Å; E103-V106 WeakPolarHBondContact O-CB 3.46Å; E103-V106 PolarHBondContact O-N 3.43Å; E103-R107 PolarHBondContact O-N 2.73Å; E103-R146 IonicContact OE1-NH2 2.67Å; E103-K150 IonicContact OE1-NZ 2.68Å; E103-K150 PolarHBondContact OE1-NZ 2.73Å; E103-K150 IonicContact OE2-NZ 2.81Å; E103-K150 PolarHBondContact OE2-NZ 2.9Å
104	D	85.4	Confident	89.1	Confident	108 Å²	108	43.1 Å²	43.1	58%	0.578	22%	0.224	S	C	*	.	H	α-helix	trans	-52.3	-39.3	-168.3	-78.8	-33	0	0	0	114.8	L102 R108	L102-D104 PolarHBondContact O-N 3.01Å; D104-R108 WeakPolarHBondContact O-CG 3.46Å; D104-R108 PolarHBondContact O-N 3.39Å
105	G	85.8	Confident	89.6	Confident	8 Å²	8	40.9 Å²	40.9	8%	0.082	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-43.3	174.9	0	0	0	0	0	112.4	E103 E109	E103-G105 VanDerWaalsContact C-N 3.27Å; E103-G105 PolarHBondContact O-N 3.35Å; G105-E109 WeakPolarHBondContact O-CG 3.27Å; G105-E109 PolarHBondContact O-N 3.23Å; G105-E109 VanDerWaalsContact O-N 3.13Å
106	V	91.7	Very high	89.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-43.6	177.4	-170.8	0	0	0	0	110.5	I99 E103 R108 E109 L110 K150	I99-V106 HydrophobicContact CG2-CG1 4.11Å; E103-V106 HydrophobicContact CB-CB 4.25Å; E103-V106 HydrophobicContact CB-CG2 3.9Å; E103-V106 HydrophobicContact CG-CG2 4.1Å; E103-V106 CarbonylContact O-C 3.54Å; E103-V106 WeakPolarHBondContact O-CA 3.37Å; E103-V106 WeakPolarHBondContact O-CB 3.46Å; E103-V106 PolarHBondContact O-N 3.43Å; V106-R108 PolarHBondContact O-N 3.37Å; V106-E109 PolarHBondContact O-N 2.83Å; V106-L110 HydrophobicContact CG1-CD1 4.02Å; V106-L110 HydrophobicContact CG1-CG 4.22Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.3Å; V106-L110 PolarHBondContact O-N 3.04Å; V106-K150 HydrophobicContact CG1-CB 4.39Å; V106-K150 HydrophobicContact CG2-CB 3.79Å; V106-K150 HydrophobicContact CG2-CD 3.51Å; V106-K150 HydrophobicContact CG2-CG 4.29Å
107	R	91.3	Very high	89.9	Confident	49 Å²	49	36.3 Å²	36.3	19%	0.185	19%	0.189	C	C	.	.	H	α-helix	trans	-56.4	-47.5	174.8	178.9	172.7	178.6	-171.6	-7.1	111.3	E103 E109 L110 L111 D284 Y285	E103-R107 PolarHBondContact O-N 2.73Å; R107-E109 PolarHBondContact O-N 3.08Å; R107-L110 PolarHBondContact O-N 3.31Å; R107-L111 HydrophobicContact CG-CD1 3.75Å; R107-L111 HydrophobicContact CG-CG 4.31Å; R107-L111 WeakPolarHBondContact O-CB 3.5Å; R107-L111 VanDerWaalsContact O-CG 3.26Å; R107-L111 WeakPolarHBondContact O-CG 3.45Å; R107-L111 PolarHBondContact O-N 2.87Å; R107-D284 PolarHBondContact NH2-O 3.35Å; R107-Y285 HydrophobicContact CB-CE2 4.17Å; R107-Y285 HydrophobicContact CG-CD2 4.34Å; R107-Y285 HydrophobicContact CG-CE2 3.62Å; R107-Y285 VanDerWaalsContact CZ-O 3.32Å; R107-Y285 PolarHBondContact NE-O 2.87Å; R107-Y285 VanDerWaalsContact NE-O 3.12Å; R107-Y285 VanDerWaalsContact NH2-C 3.32Å; R107-Y285 VanDerWaalsContact NH2-CA 3.31Å; R107-Y285 PolarHBondContact NH2-O 2.99Å
108	R	85.9	Confident	90	Very high	146 Å²	146	33.1 Å²	33.1	55%	0.551	17%	0.172	S	C	*	.	H	α-helix	trans	-59.2	-44.2	175.2	-74.8	-171.6	-60.1	-92.6	5.2	112.3	D104 V106 S112	D104-R108 WeakPolarHBondContact O-CG 3.46Å; D104-R108 PolarHBondContact O-N 3.39Å; V106-R108 PolarHBondContact O-N 3.37Å; R108-S112 WeakPolarHBondContact O-CB 3.33Å; R108-S112 PolarHBondContact O-N 3.07Å; R108-S112 VanDerWaalsContact O-N 3.08Å
109	E	91.9	Very high	89.3	Confident	14 Å²	14	30.5 Å²	30.5	7%	0.065	15%	0.153	C	C	.	.	H	α-helix	trans	-66.4	-42.6	179.1	-73.4	-59.5	122.2	0	0	113.1	G105 V106 R107 S112 K114 T143 D147 T148	G105-E109 WeakPolarHBondContact O-CG 3.27Å; G105-E109 PolarHBondContact O-N 3.23Å; G105-E109 VanDerWaalsContact O-N 3.13Å; V106-E109 PolarHBondContact O-N 2.83Å; R107-E109 PolarHBondContact O-N 3.08Å; E109-S112 PolarHBondContact O-N 3.25Å; E109-S112 PolarHBondContact O-OG 2.81Å; E109-K114 IonicContact OE1-NZ 2.78Å; E109-K114 PolarHBondContact OE1-NZ 3.48Å; E109-K114 WeakPolarHBondContact OE2-CD 3.42Å; E109-K114 VanDerWaalsContact OE2-CE 3.26Å; E109-K114 WeakPolarHBondContact OE2-CE 3.42Å; E109-K114 IonicContact OE2-NZ 3.46Å; E109-K114 PolarHBondContact OE2-NZ 3.27Å; E109-T143 WeakPolarHBondContact OE1-CB 3.26Å; E109-T143 PolarHBondContact OE1-OG1 3.01Å; E109-D147 HydrophobicContact CG-CB 4.31Å; E109-T148 PolarHBondContact OE2-OG1 3.49Å
110	L	91.7	Very high	88.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-49.1	174.9	-66.4	176.7	0	0	0	111	P101 V106 R107 S112 Y154 Q155 H264 L268	P101-L110 HydrophobicContact CB-CD1 3.66Å; V106-L110 HydrophobicContact CG1-CD1 4.02Å; V106-L110 HydrophobicContact CG1-CG 4.22Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.3Å; V106-L110 PolarHBondContact O-N 3.04Å; R107-L110 PolarHBondContact O-N 3.31Å; L110-S112 VanDerWaalsContact C-N 3.26Å; L110-S112 PolarHBondContact O-N 3.49Å; L110-Y154 HydrophobicContact CD1-CD1 3.83Å; L110-Y154 HydrophobicContact CD1-CE1 4Å; L110-Y154 HydrophobicContact CD2-CD1 3.83Å; L110-Q155 HydrophobicContact CD2-CG 3.9Å; L110-H264 PolarHBondContact O-NE2 2.92Å; L110-L268 HydrophobicContact CB-CD1 4.07Å; L110-L268 HydrophobicContact CB-CD2 4.07Å; L110-L268 HydrophobicContact CD2-CD2 3.87Å; L110-L268 HydrophobicContact CG-CD2 4.38Å
111	L	87.9	Confident	87	Confident	28 Å²	28	32.6 Å²	32.6	15%	0.147	17%	0.165	C	C	.	.	H	α-helix	trans	-66.7	-23.3	-178.1	-67.1	176	0	0	0	113.9	R107 G113 F265 Y285 F286 L288	R107-L111 HydrophobicContact CG-CD1 3.75Å; R107-L111 HydrophobicContact CG-CG 4.31Å; R107-L111 WeakPolarHBondContact O-CB 3.5Å; R107-L111 VanDerWaalsContact O-CG 3.26Å; R107-L111 WeakPolarHBondContact O-CG 3.45Å; R107-L111 PolarHBondContact O-N 2.87Å; L111-G113 PolarHBondContact O-N 3.17Å; L111-G113 VanDerWaalsContact O-N 3.16Å; L111-F265 HydrophobicContact CD2-CD1 4.5Å; L111-F265 HydrophobicContact CD2-CE1 3.9Å; L111-Y285 HydrophobicContact CD2-CD1 4.45Å; L111-Y285 HydrophobicContact CD2-CE1 4.15Å; L111-F286 HydrophobicContact CD2-CD1 3.62Å; L111-F286 HydrophobicContact CD2-CE1 4.16Å; L111-L288 HydrophobicContact CD1-CD1 4.43Å
112	S	85.8	Confident	85.7	Confident	23 Å²	23	37.4 Å²	37.4	16%	0.161	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.1	-178.8	73.9	0	0	0	0	115.5	R108 E109 L110 K114 R137	R108-S112 WeakPolarHBondContact O-CB 3.33Å; R108-S112 PolarHBondContact O-N 3.07Å; R108-S112 VanDerWaalsContact O-N 3.08Å; E109-S112 PolarHBondContact O-N 3.25Å; E109-S112 PolarHBondContact O-OG 2.81Å; L110-S112 VanDerWaalsContact C-N 3.26Å; L110-S112 PolarHBondContact O-N 3.49Å; S112-K114 PolarHBondContact O-N 3.09Å; S112-K114 VanDerWaalsContact OG-CE 3.22Å; S112-K114 WeakPolarHBondContact OG-CE 3.36Å; S112-K114 WeakPolarHBondContact OG-CG 3.36Å; S112-K114 PolarHBondContact OG-N 3.21Å; S112-K114 VanDerWaalsContact OG-N 3.12Å; S112-R137 PolarHBondContact O-NH1 3.41Å
113	G	87.4	Confident	84.5	Confident	6 Å²	6	42.4 Å²	42.4	6%	0.062	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	19.2	-170.7	0	0	0	0	0	114.1	L111 F115 R137	L111-G113 PolarHBondContact O-N 3.17Å; L111-G113 VanDerWaalsContact O-N 3.16Å; G113-F115 VanDerWaalsContact C-N 3.29Å; G113-R137 WeakPolarHBondContact O-CD 3.46Å
114	K	90	Very high	83.3	Confident	10 Å²	10	40.5 Å²	40.5	4%	0.043	22%	0.215	C	C	.	.	S	Bend	trans	-76.7	-16.6	175.3	86.1	-176.4	66.3	154.9	0	113	E109 S112 F133 T134 R137 H138	E109-K114 IonicContact OE1-NZ 2.78Å; E109-K114 PolarHBondContact OE1-NZ 3.48Å; E109-K114 WeakPolarHBondContact OE2-CD 3.42Å; E109-K114 VanDerWaalsContact OE2-CE 3.26Å; E109-K114 WeakPolarHBondContact OE2-CE 3.42Å; E109-K114 IonicContact OE2-NZ 3.46Å; E109-K114 PolarHBondContact OE2-NZ 3.27Å; S112-K114 PolarHBondContact O-N 3.09Å; S112-K114 VanDerWaalsContact OG-CE 3.22Å; S112-K114 WeakPolarHBondContact OG-CE 3.36Å; S112-K114 WeakPolarHBondContact OG-CG 3.36Å; S112-K114 PolarHBondContact OG-N 3.21Å; S112-K114 VanDerWaalsContact OG-N 3.12Å; K114-F133 HydrophobicContact CD-CZ 4.28Å; K114-F133 HydrophobicContact CG-CE2 4.38Å; K114-F133 HydrophobicContact CG-CZ 4.36Å; K114-F133 CarbonylContact O-C 3.58Å; K114-F133 VanDerWaalsContact O-CA 3.3Å; K114-F133 WeakPolarHBondContact O-CA 3.33Å; K114-T134 PolarHBondContact O-N 3.3Å; K114-R137 HydrophobicContact CB-CB 3.59Å; K114-H138 HydrophobicContact CD-CB 4.2Å
115	F	93.9	Very high	82.5	Confident	7 Å²	7	43.7 Å²	43.7	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.8	170.3	-176	-106.8	0	0	0	109.9	G113 V117 A131 I132 F133 V152 Q155 L156 H264	G113-F115 VanDerWaalsContact C-N 3.29Å; F115-V117 HydrophobicContact CE1-CG2 3.96Å; F115-V117 HydrophobicContact CZ-CG2 4.2Å; F115-A131 HydrophobicContact CE2-CB 3.89Å; F115-A131 HydrophobicContact CZ-CB 3.77Å; F115-I132 WeakPolarHBondContact CA-O 3.3Å; F115-I132 VanDerWaalsContact CD2-O 3.26Å; F115-I132 WeakPolarHBondContact CD2-O 3.18Å; F115-F133 HydrophobicContact CB-CD2 4.09Å; F115-F133 HydrophobicContact CD2-CB 4Å; F115-F133 AromaticContact CD2-CD2 3.93Å; F115-F133 HydrophobicContact CD2-CD2 3.93Å; F115-F133 HydrophobicContact CD2-CG 4.45Å; F115-F133 HydrophobicContact CG-CD2 4.41Å; F115-V152 HydrophobicContact CB-CG2 4.08Å; F115-V152 HydrophobicContact CD1-CB 4.18Å; F115-V152 HydrophobicContact CD1-CG1 4.31Å; F115-V152 HydrophobicContact CD1-CG2 3.86Å; F115-V152 HydrophobicContact CD2-CG2 4.24Å; F115-V152 HydrophobicContact CE1-CB 4.26Å; F115-V152 HydrophobicContact CE1-CG1 3.94Å; F115-V152 HydrophobicContact CE1-CG2 4.33Å; F115-V152 HydrophobicContact CE2-CG1 4.43Å; F115-V152 HydrophobicContact CG-CG2 3.8Å; F115-V152 HydrophobicContact CZ-CG1 4Å; F115-Q155 HydrophobicContact CD1-CB 4.33Å; F115-Q155 HydrophobicContact CE1-CB 4.11Å; F115-Q155 PolarHBondContact O-NE2 2.84Å; F115-Q155 PolarHBondContact O-OE1 3.32Å; F115-L156 HydrophobicContact CE1-CD2 4.47Å; F115-L156 HydrophobicContact CE1-CG 4.13Å; F115-L156 HydrophobicContact CZ-CD1 4.4Å; F115-L156 HydrophobicContact CZ-CD2 4.04Å; F115-L156 HydrophobicContact CZ-CG 4.03Å; F115-H264 PolarHBondContact O-CE1 3.15Å; F115-H264 VanDerWaalsContact O-CE1 3.25Å
116	T	92.3	Very high	82	Confident	16 Å²	16	44 Å²	44	10%	0.098	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.9	-178.6	-51.4	0	0	0	0	109	A131 I132 H264	T116-A131 WeakPolarHBondContact O-CA 3.34Å; T116-I132 PolarHBondContact N-O 3.34Å; T116-I132 PolarHBondContact O-N 2.97Å; T116-H264 HydrophobicContact CG2-CB 4.11Å; T116-H264 WeakPolarHBondContact CG2-ND1 3.4Å; T116-H264 PolarHBondContact OG1-ND1 3.24Å
117	V	92.1	Very high	81.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	167.6	-170.6	0	0	0	0	108.6	F115 P119 T129 A131 Q155 L156 V159 W267	F115-V117 HydrophobicContact CE1-CG2 3.96Å; F115-V117 HydrophobicContact CZ-CG2 4.2Å; V117-P119 WeakPolarHBondContact O-CD 3.41Å; V117-T129 HydrophobicContact CG1-CG2 3.84Å; V117-A131 HydrophobicContact CG1-CB 4.4Å; V117-A131 HydrophobicContact CG2-CB 4.02Å; V117-Q155 HydrophobicContact CG2-CB 4.09Å; V117-L156 HydrophobicContact CG2-CD2 4.42Å; V117-V159 HydrophobicContact CG1-CB 4.12Å; V117-V159 HydrophobicContact CG1-CG1 4.06Å; V117-V159 HydrophobicContact CG1-CG2 3.97Å; V117-W267 HydrophobicContact CB-CD2 4.49Å; V117-W267 HydrophobicContact CB-CZ2 3.82Å; V117-W267 HydrophobicContact CG1-CZ2 4.44Å; V117-W267 HydrophobicContact CG2-CZ2 4.29Å; V117-W267 VanDerWaalsContact O-CG 3.28Å
118	L	86.4	Confident	81.1	Confident	12 Å²	12	45.6 Å²	45.6	6%	0.063	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	123	169.6	-70.1	-170	0	0	0	109.1	V130 T251 R254 L255	L118-V130 PolarHBondContact N-O 3.38Å; L118-T251 HydrophobicContact CD1-CG2 4.21Å; L118-R254 HydrophobicContact CD1-CB 4.19Å; L118-L255 HydrophobicContact CD1-CD2 3.55Å; L118-L255 HydrophobicContact CD1-CG 3.73Å; L118-L255 HydrophobicContact CG-CD2 3.97Å
119	P	71.8	Confident	81.3	Confident	46 Å²	46	38.8 Å²	38.8	30%	0.299	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-63.4	138.4	172.5	26.1	-33.2	0	0	0	110.1	V117 L121 R254 W267	V117-P119 WeakPolarHBondContact O-CD 3.41Å; P119-L121 PolarHBondContact O-N 2.83Å; P119-R254 PolarHBondContact O-NH2 3.33Å; P119-W267 HydrophobicContact CB-CE3 4.15Å; P119-W267 HydrophobicContact CB-CZ3 4.2Å; P119-W267 HydrophobicContact CG-CE3 4.29Å
120	T	70.4	Confident	81.3	Confident	26 Å²	26	38.4 Å²	38.4	16%	0.16	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-62.6	122.4	173	-49.5	0	0	0	0	109.2	T129 S165 K168	T120-T129 PolarHBondContact OG1-OG1 2.62Å; T120-S165 PolarHBondContact OG1-OG 2.79Å; T120-K168 HydrophobicContact CG2-CD 3.73Å
121	L	70.1	Confident	81.4	Confident	79 Å²	79	38.4 Å²	38.4	41%	0.414	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-80.3	150.3	167.4	-58.1	175.5	0	0	0	109.6	P119 D123 D124	P119-L121 PolarHBondContact O-N 2.83Å; L121-D123 PolarHBondContact O-N 3.24Å; L121-D124 HydrophobicContact CB-CB 4.24Å; L121-D124 WeakPolarHBondContact CB-OD2 3.46Å; L121-D124 PolarHBondContact N-OD2 2.86Å; L121-D124 WeakPolarHBondContact O-CB 3.19Å; L121-D124 PolarHBondContact O-N 2.84Å; L121-D124 VanDerWaalsContact O-N 3.12Å
122	P	65.7	Low	81.6	Confident	102 Å²	102	37.6 Å²	37.6	66%	0.662	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-42	177.6	-25.9	35.2	0	0	0	112.5
123	D	66.6	Low	82	Confident	148 Å²	148	36.9 Å²	36.9	79%	0.791	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	9.4	-176.8	-42	-71.8	0	0	0	113.6	L121 E125	L121-D123 PolarHBondContact O-N 3.24Å; D123-E125 PolarHBondContact O-N 3.41Å; D123-E125 VanDerWaalsContact O-N 3.09Å
124	D	66.2	Low	82.2	Confident	22 Å²	22	37.3 Å²	37.3	12%	0.118	20%	0.203	C	C	.	.			trans	-66.9	109.8	174	-91.5	-37.7	0	0	0	109.9	L121 M126 K168 R254	L121-D124 HydrophobicContact CB-CB 4.24Å; L121-D124 WeakPolarHBondContact CB-OD2 3.46Å; L121-D124 PolarHBondContact N-OD2 2.86Å; L121-D124 WeakPolarHBondContact O-CB 3.19Å; L121-D124 PolarHBondContact O-N 2.84Å; L121-D124 VanDerWaalsContact O-N 3.12Å; D124-M126 HydrophobicContact CB-CB 4.36Å; D124-M126 PolarHBondContact O-N 2.92Å; D124-K168 PolarHBondContact O-NZ 2.91Å; D124-R254 IonicContact OD1-NH1 3.38Å; D124-R254 PolarHBondContact OD1-NH1 3Å; D124-R254 IonicContact OD2-CZ 2.77Å; D124-R254 IonicContact OD2-NH1 3.77Å; D124-R254 PolarHBondContact OD2-NH1 2.93Å
125	E	68.2	Low	82.3	Confident	176 Å²	176	36.8 Å²	36.8	82%	0.822	20%	0.201	S	C	*	.			trans	-53.1	-15.7	169.6	-60.3	-179.3	144.8	0	0	113.8	D123 D127	D123-E125 PolarHBondContact O-N 3.41Å; D123-E125 VanDerWaalsContact O-N 3.09Å; E125-D127 PolarHBondContact O-N 3.29Å
126	M	74	Confident	82	Confident	15 Å²	15	40.7 Å²	40.7	7%	0.074	22%	0.216	C	C	.	.			trans	-58.4	128.2	178.5	-74.4	-101.6	59.3	0	0	112.8	D124 A128 V130 K168 M171 L247 P248 T251	D124-M126 HydrophobicContact CB-CB 4.36Å; D124-M126 PolarHBondContact O-N 2.92Å; M126-A128 PolarHBondContact O-N 3.33Å; M126-V130 HydrophobicContact SD-CG2 3.87Å; M126-K168 WeakPolarHBondContact O-CD 3.31Å; M126-K168 VanDerWaalsContact O-CE 3.26Å; M126-K168 WeakPolarHBondContact O-CE 2.98Å; M126-K168 PolarHBondContact O-NZ 2.88Å; M126-M171 HydrophobicContact CE-CE 4.02Å; M126-L247 HydrophobicContact CE-CD2 4.05Å; M126-L247 HydrophobicContact SD-CD2 3.67Å; M126-P248 HydrophobicContact CE-CG 4.46Å; M126-P248 HydrophobicContact CG-CG 4.15Å; M126-P248 HydrophobicContact SD-CG 4.45Å; M126-T251 WeakPolarHBondContact CG-OG1 3.22Å; M126-T251 HydrophobicContact SD-CG2 4.03Å
127	D	77.3	Confident	81.7	Confident	78 Å²	78	42.7 Å²	42.7	42%	0.417	22%	0.221	S	C	.	.	S	Bend	trans	-78.1	2.6	174	87.8	-48.1	0	0	0	114.1	E125 K168 R205	E125-D127 PolarHBondContact O-N 3.29Å; D127-K168 CarbonylContact O-C 3.41Å; D127-K168 WeakPolarHBondContact O-CA 3.24Å; D127-R205 VanDerWaalsContact O-CZ 3.27Å; D127-R205 PolarHBondContact O-NE 2.66Å; D127-R205 PolarHBondContact O-NH2 3.39Å; D127-R205 WeakPolarHBondContact OD2-CD 3.22Å; D127-R205 IonicContact OD2-CZ 3.67Å; D127-R205 IonicContact OD2-NE 3.47Å; D127-R205 IonicContact OD2-NH1 3.84Å; D127-R205 PolarHBondContact OD2-NH1 3.36Å
128	A	87.6	Confident	81.6	Confident	4 Å²	4	42.8 Å²	42.8	3%	0.033	22%	0.222	C	C	.	.	S	Bend	trans	-148.6	141.9	-171.6	0	0	0	0	0	111.8	M126 G169 M171 R205	M126-A128 PolarHBondContact O-N 3.33Å; A128-G169 CarbonylContact C-O 3.37Å; A128-G169 VanDerWaalsContact CA-O 3.24Å; A128-G169 WeakPolarHBondContact CA-O 3.43Å; A128-M171 HydrophobicContact CB-CB 3.89Å; A128-M171 HydrophobicContact CB-CE 4.08Å; A128-R205 HydrophobicContact CB-CB 4.16Å; A128-R205 HydrophobicContact CB-CG 3.87Å
129	T	91	Very high	81.5	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.7	162.9	-53.1	0	0	0	0	108.9	V117 T120 V159 S165 G169 M171	V117-T129 HydrophobicContact CG1-CG2 3.84Å; T120-T129 PolarHBondContact OG1-OG1 2.62Å; T129-V159 HydrophobicContact CG2-CG2 3.85Å; T129-S165 VanDerWaalsContact OG1-CA 3.31Å; T129-S165 WeakPolarHBondContact OG1-CA 3.3Å; T129-S165 WeakPolarHBondContact OG1-CB 3.5Å; T129-S165 PolarHBondContact OG1-OG 3.45Å; T129-G169 PolarHBondContact N-O 3.17Å; T129-M171 PolarHBondContact O-N 2.98Å
130	V	91.6	Very high	82	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.5	-174.6	179.7	0	0	0	0	110.5	L118 M126 L173 L247 T251 L255	L118-V130 PolarHBondContact N-O 3.38Å; M126-V130 HydrophobicContact SD-CG2 3.87Å; V130-L173 HydrophobicContact CG1-CD1 3.67Å; V130-L173 HydrophobicContact CG1-CG 3.94Å; V130-L247 HydrophobicContact CG2-CD2 4.17Å; V130-T251 HydrophobicContact CG2-CG2 4.26Å; V130-L255 HydrophobicContact CG1-CD2 4.38Å
131	A	93.2	Very high	82.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.8	166.4	0	0	0	0	0	110.2	F115 T116 V117 L170 M171 V172 L173	F115-A131 HydrophobicContact CE2-CB 3.89Å; F115-A131 HydrophobicContact CZ-CB 3.77Å; T116-A131 WeakPolarHBondContact O-CA 3.34Å; V117-A131 HydrophobicContact CG1-CB 4.4Å; V117-A131 HydrophobicContact CG2-CB 4.02Å; A131-L170 HydrophobicContact CB-CD1 3.89Å; A131-M171 PolarHBondContact N-O 3.42Å; A131-V172 CarbonylContact O-C 3.47Å; A131-V172 WeakPolarHBondContact O-CA 3.42Å; A131-L173 PolarHBondContact O-N 3.19Å
132	I	93	Very high	82.6	Confident	12 Å²	12	47.7 Å²	47.7	6%	0.062	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.6	178.9	-176.4	163.3	0	0	0	110.3	F115 T116 L173 D175 L255 F256	F115-I132 WeakPolarHBondContact CA-O 3.3Å; F115-I132 VanDerWaalsContact CD2-O 3.26Å; F115-I132 WeakPolarHBondContact CD2-O 3.18Å; T116-I132 PolarHBondContact N-O 3.34Å; T116-I132 PolarHBondContact O-N 2.97Å; I132-L173 WeakPolarHBondContact CA-O 3.38Å; I132-L173 HydrophobicContact CB-CB 4.16Å; I132-L173 HydrophobicContact CB-CD1 4.48Å; I132-L173 HydrophobicContact CD1-CB 4.47Å; I132-L173 HydrophobicContact CD1-CD1 4.42Å; I132-L173 HydrophobicContact CG1-CB 4.05Å; I132-D175 HydrophobicContact CD1-CB 4.16Å; I132-D175 HydrophobicContact CG1-CB 4.4Å; I132-L255 HydrophobicContact CB-CD2 4.34Å; I132-L255 HydrophobicContact CD1-CD2 4.24Å; I132-L255 HydrophobicContact CG2-CD2 4.16Å; I132-F256 HydrophobicContact CD1-CE1 3.94Å; I132-F256 HydrophobicContact CD1-CZ 4.16Å
133	F	93.4	Very high	83.4	Confident	7 Å²	7	43.8 Å²	43.8	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.4	166.7	-169.1	-75.3	0	0	0	108.7	K114 F115 H138 T148 L173 Y174 D175 L188 L192	K114-F133 HydrophobicContact CD-CZ 4.28Å; K114-F133 HydrophobicContact CG-CE2 4.38Å; K114-F133 HydrophobicContact CG-CZ 4.36Å; K114-F133 CarbonylContact O-C 3.58Å; K114-F133 VanDerWaalsContact O-CA 3.3Å; K114-F133 WeakPolarHBondContact O-CA 3.33Å; F115-F133 HydrophobicContact CB-CD2 4.09Å; F115-F133 HydrophobicContact CD2-CB 4Å; F115-F133 AromaticContact CD2-CD2 3.93Å; F115-F133 HydrophobicContact CD2-CD2 3.93Å; F115-F133 HydrophobicContact CD2-CG 4.45Å; F115-F133 HydrophobicContact CG-CD2 4.41Å; F133-H138 HydrophobicContact CE1-CB 4.04Å; F133-H138 HydrophobicContact CZ-CB 4.13Å; F133-T148 HydrophobicContact CE2-CG2 4.34Å; F133-L173 PolarHBondContact N-O 3.18Å; F133-Y174 HydrophobicContact CB-CD2 4.04Å; F133-Y174 AromaticContact CD1-CD2 3.8Å; F133-Y174 HydrophobicContact CD1-CD2 3.8Å; F133-Y174 AromaticContact CD1-CE2 3.47Å; F133-Y174 HydrophobicContact CD1-CE2 3.47Å; F133-Y174 VanDerWaalsContact CD1-CE2 3.47Å; F133-Y174 AromaticContact CE1-CE2 3.93Å; F133-Y174 HydrophobicContact CE1-CE2 3.93Å; F133-Y174 HydrophobicContact CG-CD2 4.18Å; F133-Y174 HydrophobicContact CG-CE2 4.2Å; F133-D175 PolarHBondContact O-N 3.14Å; F133-L188 HydrophobicContact CZ-CD2 4.23Å; F133-L192 HydrophobicContact CD2-CD1 4.21Å; F133-L192 HydrophobicContact CE2-CD1 4Å
134	T	91.8	Very high	84.5	Confident	15 Å²	15	38.9 Å²	38.9	9%	0.092	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	95.1	-172.3	-54.1	0	0	0	0	109.2	K114 Y136 R137	K114-T134 PolarHBondContact O-N 3.3Å; T134-Y136 VanDerWaalsContact C-N 3.34Å; T134-Y136 HydrophobicContact CG2-CD1 3.54Å; T134-Y136 HydrophobicContact CG2-CE1 3.29Å; T134-Y136 PolarHBondContact O-N 2.87Å; T134-R137 HydrophobicContact CG2-CG 3.98Å; T134-R137 WeakPolarHBondContact O-CB 3.37Å; T134-R137 PolarHBondContact O-N 3.18Å; T134-R137 VanDerWaalsContact O-N 3.11Å
135	A	90.8	Very high	85.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-66.3	-31.2	-162.9	0	0	0	0	0	113.7	R137 H138 Y174 D175 M176 T179	A135-R137 PolarHBondContact O-N 3.06Å; A135-H138 WeakPolarHBondContact O-CB 3.47Å; A135-H138 PolarHBondContact O-N 3.44Å; A135-Y174 HydrophobicContact CB-CE1 4.19Å; A135-Y174 HydrophobicContact CB-CE2 4.17Å; A135-D175 VanDerWaalsContact CB-O 3.26Å; A135-D175 WeakPolarHBondContact CB-O 3.22Å; A135-D175 PolarHBondContact N-O 2.99Å; A135-M176 HydrophobicContact CB-CG 4.48Å; A135-T179 HydrophobicContact CB-CG2 3.78Å
136	Y	89	Confident	86.9	Confident	88 Å²	88	35.5 Å²	35.5	35%	0.345	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-63.8	-24.5	177	86.3	-99.4	0	0	0	113.2	T134 H138 T179 N183	T134-Y136 VanDerWaalsContact C-N 3.34Å; T134-Y136 HydrophobicContact CG2-CD1 3.54Å; T134-Y136 HydrophobicContact CG2-CE1 3.29Å; T134-Y136 PolarHBondContact O-N 2.87Å; Y136-H138 VanDerWaalsContact C-N 3.34Å; Y136-T179 PolarHBondContact N-OG1 3Å; Y136-T179 VanDerWaalsContact N-OG1 3.11Å; Y136-N183 PolarHBondContact O-ND2 3.41Å
137	R	86.4	Confident	87.8	Confident	58 Å²	58	35.2 Å²	35.2	22%	0.219	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-81.9	-10.8	175.5	-65.3	-178.4	172.4	-123.9	0.5	113.3	S112 G113 K114 T134 A135	S112-R137 PolarHBondContact O-NH1 3.41Å; G113-R137 WeakPolarHBondContact O-CD 3.46Å; K114-R137 HydrophobicContact CB-CB 3.59Å; T134-R137 HydrophobicContact CG2-CG 3.98Å; T134-R137 WeakPolarHBondContact O-CB 3.37Å; T134-R137 PolarHBondContact O-N 3.18Å; T134-R137 VanDerWaalsContact O-N 3.11Å; A135-R137 PolarHBondContact O-N 3.06Å
138	H	88.9	Confident	88.5	Confident	3 Å²	3	31.5 Å²	31.5	1%	0.014	15%	0.149	C	C	.	.			trans	-80.8	128.3	172.6	-170.9	76.6	0	0	0	109.8	K114 F133 A135 Y136 T143 N183 L188	K114-H138 HydrophobicContact CD-CB 4.2Å; F133-H138 HydrophobicContact CE1-CB 4.04Å; F133-H138 HydrophobicContact CZ-CB 4.13Å; A135-H138 WeakPolarHBondContact O-CB 3.47Å; A135-H138 PolarHBondContact O-N 3.44Å; Y136-H138 VanDerWaalsContact C-N 3.34Å; H138-T143 VanDerWaalsContact CE1-CG2 3.47Å; H138-T143 WeakPolarHBondContact CE1-CG2 3.48Å; H138-N183 PolarHBondContact CD2-O 2.85Å; H138-N183 WeakPolarHBondContact O-CA 3.44Å; H138-N183 WeakPolarHBondContact O-CB 3.28Å; H138-N183 PolarHBondContact O-ND2 2.75Å; H138-L188 WeakPolarHBondContact CE1-CD2 3.37Å
139	W	84.4	Confident	88.9	Confident	91 Å²	91	31.4 Å²	31.4	35%	0.345	15%	0.148	S	C	.	.			trans	-134.4	98.4	177.8	-173.8	-102.1	0	0	0	108.7	P141 L142	W139-P141 VanDerWaalsContact C-CD 3.47Å; W139-P141 HydrophobicContact CZ2-CG 4.42Å; W139-L142 PolarHBondContact O-N 3.31Å
140	P	82	Confident	89.1	Confident	16 Å²	16	32 Å²	32	10%	0.104	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-54.6	-39.9	-171	-22.8	30.3	0	0	0	114.9	L142 T143 S182 D185	P140-L142 PolarHBondContact O-N 2.95Å; P140-T143 PolarHBondContact O-N 2.85Å; P140-S182 WeakPolarHBondContact CD-O 3.49Å; P140-D185 HydrophobicContact CG-CB 4.15Å
141	P	78.4	Confident	89.3	Confident	41 Å²	41	32 Å²	32	27%	0.266	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-62.8	-7.2	179.4	-26.6	36.2	0	0	0	117.2	W139 F445	W139-P141 VanDerWaalsContact C-CD 3.47Å; W139-P141 HydrophobicContact CZ2-CG 4.42Å; P141-F445 HydrophobicContact CB-CD2 4.27Å; P141-F445 HydrophobicContact CB-CE1 4.16Å; P141-F445 HydrophobicContact CB-CE2 3.85Å; P141-F445 HydrophobicContact CB-CZ 3.8Å; P141-F445 HydrophobicContact CG-CE2 4.49Å; P141-F445 HydrophobicContact CG-CZ 4.45Å
142	L	75.8	Confident	89.4	Confident	117 Å²	117	32 Å²	32	61%	0.613	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-118.5	12.6	179.7	-68.2	173.8	0	0	0	113	W139 P140	W139-L142 PolarHBondContact O-N 3.31Å; P140-L142 PolarHBondContact O-N 2.95Å
143	T	81.9	Confident	89.5	Confident	20 Å²	20	31.5 Å²	31.5	12%	0.123	15%	0.148	C	C	.	.			trans	-154.3	143.8	-178.5	-169.4	0	0	0	0	113.5	E109 H138 P140 T148	E109-T143 WeakPolarHBondContact OE1-CB 3.26Å; E109-T143 PolarHBondContact OE1-OG1 3.01Å; H138-T143 VanDerWaalsContact CE1-CG2 3.47Å; H138-T143 WeakPolarHBondContact CE1-CG2 3.48Å; P140-T143 PolarHBondContact O-N 2.85Å; T143-T148 PolarHBondContact OG1-OG1 2.6Å
144	T	89.3	Confident	89.6	Confident	46 Å²	46	31.5 Å²	31.5	28%	0.282	15%	0.148	S	C	.	.			trans	-87.6	154.5	171.9	79.9	0	0	0	0	110.7	R146 D147 T148	T144-R146 PolarHBondContact O-N 3.08Å; T144-R146 PolarHBondContact OG1-N 2.82Å; T144-D147 WeakPolarHBondContact CG2-OD2 3.5Å; T144-D147 PolarHBondContact O-N 3.05Å; T144-D147 PolarHBondContact OG1-N 2.86Å; T144-D147 PolarHBondContact OG1-OD1 3.29Å; T144-D147 PolarHBondContact OG1-OD2 2.99Å; T144-T148 PolarHBondContact O-N 2.65Å; T144-T148 PolarHBondContact O-OG1 3.22Å; T144-T148 VanDerWaalsContact O-OG1 3.1Å
145	H	92.3	Very high	89.8	Confident	28 Å²	28	30.9 Å²	30.9	13%	0.13	14%	0.144	C	C	.	.	H	α-helix	trans	-62.5	-30	172.4	-63.9	165.6	0	0	0	112.5	L149 D185 K191 R439 D442	H145-L149 WeakPolarHBondContact O-CB 3.32Å; H145-L149 PolarHBondContact O-N 2.76Å; H145-D185 IonicContact CD2-OD2 2.65Å; H145-D185 IonicContact CE1-OD1 2.79Å; H145-D185 IonicContact CE1-OD2 2.72Å; H145-D185 IonicContact NE2-OD1 2.71Å; H145-D185 PolarHBondContact NE2-OD1 3.49Å; H145-D185 IonicContact NE2-OD2 3.8Å; H145-D185 PolarHBondContact NE2-OD2 3.49Å; H145-K191 HydrophobicContact CB-CD 4.14Å; H145-R439 PolarHBondContact NE2-NH1 3.11Å; H145-D442 IonicContact CE1-OD2 2.85Å; H145-D442 IonicContact NE2-OD2 2.76Å
146	R	92.5	Very high	90	Very high	98 Å²	98	30.9 Å²	30.9	37%	0.37	14%	0.144	S	C	.	.	H	α-helix	trans	-64.9	-50.2	176.5	-176.3	-165.7	66.8	-157.3	-5.1	109.7	V96 E103 T144 L149 K150	V96-R146 HydrophobicContact CG1-CG 4.19Å; E103-R146 IonicContact OE1-NH2 2.67Å; T144-R146 PolarHBondContact O-N 3.08Å; T144-R146 PolarHBondContact OG1-N 2.82Å; R146-L149 CarbonylContact O-C 3.52Å; R146-L149 PolarHBondContact O-N 3.11Å; R146-K150 WeakPolarHBondContact O-CG 3.22Å; R146-K150 PolarHBondContact O-N 2.85Å
147	D	92.4	Very high	90.3	Very high	9 Å²	9	28.6 Å²	28.6	5%	0.048	14%	0.138	C	C	.	.	H	α-helix	trans	-72.5	-37.6	-174.3	-48.6	-32.4	0	0	0	110.9	E109 T144 L149 K150 G151	E109-D147 HydrophobicContact CG-CB 4.31Å; T144-D147 WeakPolarHBondContact CG2-OD2 3.5Å; T144-D147 PolarHBondContact O-N 3.05Å; T144-D147 PolarHBondContact OG1-N 2.86Å; T144-D147 PolarHBondContact OG1-OD1 3.29Å; T144-D147 PolarHBondContact OG1-OD2 2.99Å; D147-L149 VanDerWaalsContact C-N 3.32Å; D147-L149 PolarHBondContact O-N 3.12Å; D147-K150 WeakPolarHBondContact O-CB 3.13Å; D147-K150 PolarHBondContact O-N 2.88Å; D147-G151 PolarHBondContact O-N 2.77Å
148	T	93.9	Very high	90.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.3	-41.8	170.8	-52.8	0	0	0	0	111	E109 F133 T143 T144 G151 V152 L188	E109-T148 PolarHBondContact OE2-OG1 3.49Å; F133-T148 HydrophobicContact CE2-CG2 4.34Å; T143-T148 PolarHBondContact OG1-OG1 2.6Å; T144-T148 PolarHBondContact O-N 2.65Å; T144-T148 PolarHBondContact O-OG1 3.22Å; T144-T148 VanDerWaalsContact O-OG1 3.1Å; T148-G151 PolarHBondContact O-N 3.02Å; T148-V152 VanDerWaalsContact O-CG2 3.32Å; T148-V152 WeakPolarHBondContact O-CG2 3.45Å; T148-V152 PolarHBondContact O-N 2.86Å; T148-L188 HydrophobicContact CG2-CD1 3.98Å; T148-L188 HydrophobicContact CG2-CD2 3.65Å; T148-L188 HydrophobicContact CG2-CG 4.45Å
149	L	94	Very high	90.9	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-68.1	-38	177.1	-175.7	64.6	0	0	0	112	E94 V96 H145 R146 D147 V152 L153 L192 L195	E94-L149 HydrophobicContact CB-CD2 3.82Å; E94-L149 HydrophobicContact CG-CD2 3.94Å; V96-L149 HydrophobicContact CG1-CD2 4.47Å; V96-L149 HydrophobicContact CG2-CD2 4.32Å; H145-L149 WeakPolarHBondContact O-CB 3.32Å; H145-L149 PolarHBondContact O-N 2.76Å; R146-L149 CarbonylContact O-C 3.52Å; R146-L149 PolarHBondContact O-N 3.11Å; D147-L149 VanDerWaalsContact C-N 3.32Å; D147-L149 PolarHBondContact O-N 3.12Å; L149-V152 PolarHBondContact O-N 3.07Å; L149-L153 HydrophobicContact CD1-CD1 4.28Å; L149-L153 HydrophobicContact CD1-CG 4.31Å; L149-L153 HydrophobicContact CG-CD1 3.94Å; L149-L153 HydrophobicContact CG-CG 4.4Å; L149-L153 VanDerWaalsContact O-CB 3.26Å; L149-L153 WeakPolarHBondContact O-CB 3.45Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.14Å; L149-L153 PolarHBondContact O-N 2.87Å; L149-L192 HydrophobicContact CD1-CD2 4.47Å; L149-L195 HydrophobicContact CD1-CD2 4Å
150	K	95.4	Very high	91.2	Very high	16 Å²	16	21.9 Å²	21.9	7%	0.07	11%	0.113	C	C	.	.	H	α-helix	trans	-59.5	-50.2	171.3	-77.2	-175.4	176.8	-177.7	0	111.2	V96 I99 E103 V106 R146 D147 V152 L153 Y154	V96-K150 HydrophobicContact CB-CG 4.31Å; V96-K150 HydrophobicContact CG1-CG 3.58Å; I99-K150 HydrophobicContact CG1-CG 4.25Å; I99-K150 HydrophobicContact CG2-CB 3.85Å; I99-K150 HydrophobicContact CG2-CD 4.45Å; I99-K150 HydrophobicContact CG2-CG 4.21Å; E103-K150 IonicContact OE1-NZ 2.68Å; E103-K150 PolarHBondContact OE1-NZ 2.73Å; E103-K150 IonicContact OE2-NZ 2.81Å; E103-K150 PolarHBondContact OE2-NZ 2.9Å; V106-K150 HydrophobicContact CG1-CB 4.39Å; V106-K150 HydrophobicContact CG2-CB 3.79Å; V106-K150 HydrophobicContact CG2-CD 3.51Å; V106-K150 HydrophobicContact CG2-CG 4.29Å; R146-K150 WeakPolarHBondContact O-CG 3.22Å; R146-K150 PolarHBondContact O-N 2.85Å; D147-K150 WeakPolarHBondContact O-CB 3.13Å; D147-K150 PolarHBondContact O-N 2.88Å; K150-V152 VanDerWaalsContact C-N 3.33Å; K150-V152 PolarHBondContact O-N 3.11Å; K150-L153 PolarHBondContact O-N 3.15Å; K150-Y154 WeakPolarHBondContact O-CB 3.33Å; K150-Y154 PolarHBondContact O-N 3.05Å
151	G	95.5	Very high	91.7	Very high	4 Å²	4	26.3 Å²	26.3	4%	0.041	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-36.4	179.2	0	0	0	0	0	113.6	D147 T148	D147-G151 PolarHBondContact O-N 2.77Å; T148-G151 PolarHBondContact O-N 3.02Å
152	V	95.5	Very high	92.2	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-69.5	-47.8	172.4	168.8	0	0	0	0	111.6	F115 T148 L149 K150 L156 L192 L195	F115-V152 HydrophobicContact CB-CG2 4.08Å; F115-V152 HydrophobicContact CD1-CB 4.18Å; F115-V152 HydrophobicContact CD1-CG1 4.31Å; F115-V152 HydrophobicContact CD1-CG2 3.86Å; F115-V152 HydrophobicContact CD2-CG2 4.24Å; F115-V152 HydrophobicContact CE1-CB 4.26Å; F115-V152 HydrophobicContact CE1-CG1 3.94Å; F115-V152 HydrophobicContact CE1-CG2 4.33Å; F115-V152 HydrophobicContact CE2-CG1 4.43Å; F115-V152 HydrophobicContact CG-CG2 3.8Å; F115-V152 HydrophobicContact CZ-CG1 4Å; T148-V152 VanDerWaalsContact O-CG2 3.32Å; T148-V152 WeakPolarHBondContact O-CG2 3.45Å; T148-V152 PolarHBondContact O-N 2.86Å; L149-V152 PolarHBondContact O-N 3.07Å; K150-V152 VanDerWaalsContact C-N 3.33Å; K150-V152 PolarHBondContact O-N 3.11Å; V152-L156 HydrophobicContact CG1-CD1 3.77Å; V152-L156 HydrophobicContact CG1-CG 4.43Å; V152-L156 WeakPolarHBondContact O-CB 3.47Å; V152-L156 WeakPolarHBondContact O-CG 3.33Å; V152-L156 PolarHBondContact O-N 3.43Å; V152-L192 HydrophobicContact CB-CD2 4.45Å; V152-L192 HydrophobicContact CG1-CD2 4.04Å; V152-L192 HydrophobicContact CG2-CD2 4.23Å; V152-L195 HydrophobicContact CG1-CD2 4.36Å
153	L	95.5	Very high	92.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.3	-41.7	-179.7	-79.6	172.1	0	0	0	112.4	V96 I99 L149 K150 Q155 L156 D157 L195 Y200	V96-L153 HydrophobicContact CB-CD1 3.97Å; V96-L153 HydrophobicContact CG2-CD1 3.46Å; V96-L153 VanDerWaalsContact CG2-CD1 3.46Å; I99-L153 HydrophobicContact CD1-CB 3.55Å; I99-L153 HydrophobicContact CD1-CD1 4.35Å; L149-L153 HydrophobicContact CD1-CD1 4.28Å; L149-L153 HydrophobicContact CD1-CG 4.31Å; L149-L153 HydrophobicContact CG-CD1 3.94Å; L149-L153 HydrophobicContact CG-CG 4.4Å; L149-L153 VanDerWaalsContact O-CB 3.26Å; L149-L153 WeakPolarHBondContact O-CB 3.45Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.14Å; L149-L153 PolarHBondContact O-N 2.87Å; K150-L153 PolarHBondContact O-N 3.15Å; L153-Q155 PolarHBondContact O-N 3.03Å; L153-L156 PolarHBondContact O-N 3.24Å; L153-D157 VanDerWaalsContact O-CB 3.27Å; L153-D157 WeakPolarHBondContact O-CB 3.5Å; L153-D157 PolarHBondContact O-N 2.91Å; L153-L195 HydrophobicContact CD2-CD1 3.96Å; L153-L195 HydrophobicContact CD2-CD2 4.16Å; L153-Y200 HydrophobicContact CD2-CD2 3.74Å; L153-Y200 HydrophobicContact CD2-CE2 3.71Å
154	Y	96.5	Very high	93.1	Very high	8 Å²	8	28 Å²	28	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-56.5	-48.3	178.4	177	-101.5	0	0	0	112.1	I99 P101 L110 K150 A158 C271 F272 T275	I99-Y154 HydrophobicContact CG2-CD2 4.44Å; P101-Y154 HydrophobicContact CB-CD1 4.49Å; P101-Y154 HydrophobicContact CB-CD2 4.39Å; P101-Y154 HydrophobicContact CB-CE1 3.99Å; P101-Y154 HydrophobicContact CB-CE2 3.9Å; P101-Y154 HydrophobicContact CG-CE2 3.77Å; L110-Y154 HydrophobicContact CD1-CD1 3.83Å; L110-Y154 HydrophobicContact CD1-CE1 4Å; L110-Y154 HydrophobicContact CD2-CD1 3.83Å; K150-Y154 WeakPolarHBondContact O-CB 3.33Å; K150-Y154 PolarHBondContact O-N 3.05Å; Y154-A158 VanDerWaalsContact O-CB 3.31Å; Y154-A158 WeakPolarHBondContact O-CB 3.49Å; Y154-A158 PolarHBondContact O-N 2.98Å; Y154-C271 HydrophobicContact CD1-CB 4.38Å; Y154-C271 HydrophobicContact CE1-CB 3.56Å; Y154-C271 PolarHBondContact OH-O 2.76Å; Y154-F272 PolarHBondContact OH-N 3.31Å; Y154-T275 HydrophobicContact CE2-CG2 3.94Å; Y154-T275 PolarHBondContact OH-OG1 2.9Å
155	Q	96.2	Very high	93.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-69.1	-38.9	177.8	-66.7	-175	58.8	0	0	112.6	L110 F115 V117 L153 V159 W267 L268	L110-Q155 HydrophobicContact CD2-CG 3.9Å; F115-Q155 HydrophobicContact CD1-CB 4.33Å; F115-Q155 HydrophobicContact CE1-CB 4.11Å; F115-Q155 PolarHBondContact O-NE2 2.84Å; F115-Q155 PolarHBondContact O-OE1 3.32Å; V117-Q155 HydrophobicContact CG2-CB 4.09Å; L153-Q155 PolarHBondContact O-N 3.03Å; Q155-V159 PolarHBondContact O-N 3.11Å; Q155-W267 VanDerWaalsContact OE1-CD1 3.25Å; Q155-L268 HydrophobicContact CG-CD2 4.24Å
156	L	94.8	Very high	93	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.9	-42.2	176	-73	175.1	0	0	0	111.8	F115 V117 V152 L153 V159 M160 L170 L195 F196 Y200	F115-L156 HydrophobicContact CE1-CD2 4.47Å; F115-L156 HydrophobicContact CE1-CG 4.13Å; F115-L156 HydrophobicContact CZ-CD1 4.4Å; F115-L156 HydrophobicContact CZ-CD2 4.04Å; F115-L156 HydrophobicContact CZ-CG 4.03Å; V117-L156 HydrophobicContact CG2-CD2 4.42Å; V152-L156 HydrophobicContact CG1-CD1 3.77Å; V152-L156 HydrophobicContact CG1-CG 4.43Å; V152-L156 WeakPolarHBondContact O-CB 3.47Å; V152-L156 WeakPolarHBondContact O-CG 3.33Å; V152-L156 PolarHBondContact O-N 3.43Å; L153-L156 PolarHBondContact O-N 3.24Å; L156-V159 WeakPolarHBondContact O-CG1 3.4Å; L156-V159 PolarHBondContact O-N 2.79Å; L156-M160 WeakPolarHBondContact O-CB 3.48Å; L156-M160 VanDerWaalsContact O-CG 3.23Å; L156-M160 WeakPolarHBondContact O-CG 3.22Å; L156-M160 PolarHBondContact O-N 3.31Å; L156-L170 HydrophobicContact CD2-CD1 4.04Å; L156-L170 HydrophobicContact CD2-CD2 3.81Å; L156-L195 HydrophobicContact CD1-CD2 4.37Å; L156-F196 HydrophobicContact CD1-CE1 3.87Å; L156-F196 HydrophobicContact CD1-CZ 4.23Å; L156-Y200 HydrophobicContact CB-CE1 3.99Å; L156-Y200 HydrophobicContact CB-CE2 4.11Å; L156-Y200 HydrophobicContact CD1-CE1 4.49Å; L156-Y200 PolarHBondContact O-OH 3.49Å; L156-Y200 VanDerWaalsContact O-OH 3.13Å
157	D	94.4	Very high	92.8	Very high	41 Å²	41	23.9 Å²	23.9	22%	0.219	11%	0.114	C	C	.	.	H	α-helix	trans	-65.8	-42.1	178.2	-69.8	-24	0	0	0	110.3	R91 L153 V159 M160 M161 Y200	R91-D157 IonicContact CZ-OD1 3.05Å; R91-D157 IonicContact CZ-OD2 3.95Å; R91-D157 VanDerWaalsContact CZ-OD2 3.23Å; R91-D157 IonicContact NH1-OD2 2.67Å; R91-D157 PolarHBondContact NH1-OD2 2.93Å; R91-D157 IonicContact NH2-OD1 3.21Å; R91-D157 PolarHBondContact NH2-OD1 3.24Å; R91-D157 IonicContact NH2-OD2 3.65Å; R91-D157 PolarHBondContact NH2-OD2 3.07Å; L153-D157 VanDerWaalsContact O-CB 3.27Å; L153-D157 WeakPolarHBondContact O-CB 3.5Å; L153-D157 PolarHBondContact O-N 2.91Å; D157-V159 PolarHBondContact O-N 2.66Å; D157-M160 PolarHBondContact O-N 3.07Å; D157-M161 WeakPolarHBondContact O-CG 3.44Å; D157-M161 PolarHBondContact O-N 2.92Å; D157-Y200 WeakPolarHBondContact CA-OH 3.23Å; D157-Y200 PolarHBondContact N-OH 3.26Å; D157-Y200 WeakPolarHBondContact OD1-CE2 3.41Å; D157-Y200 PolarHBondContact OD1-OH 3.32Å
158	A	94.4	Very high	92.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-39.4	174.6	0	0	0	0	0	113.6	Y154 M161 C271 R274 T275	Y154-A158 VanDerWaalsContact O-CB 3.31Å; Y154-A158 WeakPolarHBondContact O-CB 3.49Å; Y154-A158 PolarHBondContact O-N 2.98Å; A158-M161 WeakPolarHBondContact O-CB 2.99Å; A158-M161 PolarHBondContact O-N 3.09Å; A158-C271 HydrophobicContact CB-CB 3.88Å; A158-R274 WeakPolarHBondContact O-CD 3.48Å; A158-T275 HydrophobicContact CB-CG2 4.03Å
159	V	92.9	Very high	92.4	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.024	12%	0.121	C	C	.	.	H	α-helix	trans	-74.4	-30.5	174.7	85.9	0	0	0	0	112.4	V117 T129 Q155 L156 D157 M161 D162 W267	V117-V159 HydrophobicContact CG1-CB 4.12Å; V117-V159 HydrophobicContact CG1-CG1 4.06Å; V117-V159 HydrophobicContact CG1-CG2 3.97Å; T129-V159 HydrophobicContact CG2-CG2 3.85Å; Q155-V159 PolarHBondContact O-N 3.11Å; L156-V159 WeakPolarHBondContact O-CG1 3.4Å; L156-V159 PolarHBondContact O-N 2.79Å; D157-V159 PolarHBondContact O-N 2.66Å; V159-M161 PolarHBondContact O-N 2.75Å; V159-D162 WeakPolarHBondContact O-CB 3.48Å; V159-D162 PolarHBondContact O-N 3.19Å; V159-W267 HydrophobicContact CB-CH2 3.6Å; V159-W267 HydrophobicContact CB-CZ2 3.91Å; V159-W267 HydrophobicContact CG2-CH2 3.77Å; V159-W267 HydrophobicContact CG2-CZ2 4.39Å; V159-W267 HydrophobicContact CG2-CZ3 4.44Å
160	M	92.3	Very high	92.2	Very high	7 Å²	7	25.4 Å²	25.4	3%	0.034	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3	176.2	-69.8	-67.5	141.1	0	0	113.5	L68 L156 D157 D162 Q166 Y200 A202	L68-M160 HydrophobicContact CD1-CB 3.95Å; L68-M160 HydrophobicContact CD1-CG 4.35Å; L68-M160 HydrophobicContact CD1-SD 4.19Å; L156-M160 WeakPolarHBondContact O-CB 3.48Å; L156-M160 VanDerWaalsContact O-CG 3.23Å; L156-M160 WeakPolarHBondContact O-CG 3.22Å; L156-M160 PolarHBondContact O-N 3.31Å; D157-M160 PolarHBondContact O-N 3.07Å; M160-D162 VanDerWaalsContact C-N 3.26Å; M160-Q166 PolarHBondContact O-NE2 2.81Å; M160-Q166 HydrophobicContact SD-CG 4.41Å; M160-Y200 HydrophobicContact CG-CE1 3.85Å; M160-Y200 WeakPolarHBondContact CG-OH 3.31Å; M160-A202 HydrophobicContact CE-CB 3.76Å; M160-A202 HydrophobicContact SD-CB 4.01Å
161	M	91.8	Very high	92	Very high	109 Å²	109	24.6 Å²	24.6	54%	0.537	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.8	162.5	-55.2	-179.6	86.3	0	0	112.5	D157 A158 V159 R274 T275	D157-M161 WeakPolarHBondContact O-CG 3.44Å; D157-M161 PolarHBondContact O-N 2.92Å; A158-M161 WeakPolarHBondContact O-CB 2.99Å; A158-M161 PolarHBondContact O-N 3.09Å; V159-M161 PolarHBondContact O-N 2.75Å; M161-R274 WeakPolarHBondContact CE-O 3.47Å; M161-R274 HydrophobicContact SD-CB 3.95Å; M161-T275 HydrophobicContact SD-CG2 4.27Å
162	D	88.7	Confident	91.9	Very high	37 Å²	37	24.8 Å²	24.8	20%	0.198	12%	0.117	C	C	.	.	S	Bend	trans	-86	131.6	175.3	172.1	52.9	0	0	0	112.6	V159 M160 Q164 S165 Q166	V159-D162 WeakPolarHBondContact O-CB 3.48Å; V159-D162 PolarHBondContact O-N 3.19Å; M160-D162 VanDerWaalsContact C-N 3.26Å; D162-Q164 PolarHBondContact OD2-N 3.18Å; D162-S165 PolarHBondContact O-N 3.28Å; D162-S165 WeakPolarHBondContact OD2-CB 3.49Å; D162-S165 PolarHBondContact OD2-N 2.78Å; D162-S165 PolarHBondContact OD2-OG 2.86Å; D162-Q166 WeakPolarHBondContact O-CG 3.39Å; D162-Q166 PolarHBondContact O-N 3.33Å; D162-Q166 VanDerWaalsContact O-N 3.1Å
163	E	88.4	Confident	91.8	Very high	87 Å²	87	24.7 Å²	24.7	41%	0.407	12%	0.117	S	C	.	.	H	α-helix	trans	-71.5	-36	-175	-149.1	-162.5	-162.3	0	0	113	R71 Q166 R167	R71-E163 IonicContact CZ-OE1 3.42Å; R71-E163 IonicContact NH1-OE1 2.64Å; R71-E163 PolarHBondContact NH1-OE1 3.43Å; R71-E163 IonicContact NH2-OE1 2.77Å; R71-E163 PolarHBondContact NH2-OE1 2.67Å; E163-Q166 PolarHBondContact O-N 2.81Å; E163-R167 PolarHBondContact O-N 2.85Å; E163-R167 IonicContact OE1-CZ 3.86Å; E163-R167 IonicContact OE1-NH1 2.97Å; E163-R167 IonicContact OE1-NH2 2.7Å; E163-R167 PolarHBondContact OE1-NH2 3.29Å; E163-R167 IonicContact OE2-CZ 3.83Å; E163-R167 IonicContact OE2-NH1 2.64Å; E163-R167 PolarHBondContact OE2-NH1 3.34Å; E163-R167 IonicContact OE2-NH2 2.66Å; E163-R167 PolarHBondContact OE2-NH2 3.5Å
164	Q	87.8	Confident	91.7	Very high	89 Å²	89	26 Å²	26	42%	0.416	12%	0.122	S	C	.	.	H	α-helix	trans	-68.1	-41.2	177.6	-61.1	-170.3	-0.6	0	0	110.7	D162 Q166 R167 K168	D162-Q164 PolarHBondContact OD2-N 3.18Å; Q164-Q166 VanDerWaalsContact C-N 3.33Å; Q164-Q166 PolarHBondContact O-N 2.79Å; Q164-R167 PolarHBondContact O-N 3.48Å; Q164-R167 VanDerWaalsContact O-N 3.17Å; Q164-K168 WeakPolarHBondContact O-CB 3.28Å; Q164-K168 WeakPolarHBondContact O-CG 3.4Å; Q164-K168 PolarHBondContact O-N 3.45Å
165	S	89.6	Confident	91.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	12%	0.122	C	C	.	.	H	α-helix	trans	-67.5	-31.2	178.1	-58.1	0	0	0	0	112.5	T120 T129 D162 G169	T120-S165 PolarHBondContact OG1-OG 2.79Å; T129-S165 VanDerWaalsContact OG1-CA 3.31Å; T129-S165 WeakPolarHBondContact OG1-CA 3.3Å; T129-S165 WeakPolarHBondContact OG1-CB 3.5Å; T129-S165 PolarHBondContact OG1-OG 3.45Å; D162-S165 PolarHBondContact O-N 3.28Å; D162-S165 WeakPolarHBondContact OD2-CB 3.49Å; D162-S165 PolarHBondContact OD2-N 2.78Å; D162-S165 PolarHBondContact OD2-OG 2.86Å; S165-G169 WeakPolarHBondContact O-CA 3.2Å; S165-G169 PolarHBondContact O-N 3.04Å
166	Q	91	Very high	91.4	Very high	26 Å²	26	26 Å²	26	12%	0.121	12%	0.122	C	C	.	.	H	α-helix	trans	-64.2	-44.9	167.6	-70.2	174.8	16.7	0	0	112.7	L68 R71 M160 D162 E163 Q164	L68-Q166 HydrophobicContact CD1-CG 3.93Å; R71-Q166 VanDerWaalsContact CD-OE1 3.32Å; M160-Q166 PolarHBondContact O-NE2 2.81Å; M160-Q166 HydrophobicContact SD-CG 4.41Å; D162-Q166 WeakPolarHBondContact O-CG 3.39Å; D162-Q166 PolarHBondContact O-N 3.33Å; D162-Q166 VanDerWaalsContact O-N 3.1Å; E163-Q166 PolarHBondContact O-N 2.81Å; Q164-Q166 VanDerWaalsContact C-N 3.33Å; Q164-Q166 PolarHBondContact O-N 2.79Å
167	R	88	Confident	91.1	Very high	59 Å²	59	28.9 Å²	28.9	22%	0.223	13%	0.133	C	C	.	.	H	α-helix	trans	-67	-52.1	178.7	-73.7	-172	-178.4	95.2	-2.9	111.7	E34 D35 E163 Q164	E34-R167 WeakPolarHBondContact OE2-CB 3.12Å; E34-R167 WeakPolarHBondContact OE2-CD 3.39Å; E34-R167 WeakPolarHBondContact OE2-CG 3.26Å; D35-R167 IonicContact OD1-CZ 3.74Å; D35-R167 IonicContact OD1-NE 3.6Å; D35-R167 IonicContact OD1-NH2 3.23Å; D35-R167 PolarHBondContact OD1-NH2 3.37Å; E163-R167 PolarHBondContact O-N 2.85Å; E163-R167 IonicContact OE1-CZ 3.86Å; E163-R167 IonicContact OE1-NH1 2.97Å; E163-R167 IonicContact OE1-NH2 2.7Å; E163-R167 PolarHBondContact OE1-NH2 3.29Å; E163-R167 IonicContact OE2-CZ 3.83Å; E163-R167 IonicContact OE2-NH1 2.64Å; E163-R167 PolarHBondContact OE2-NH1 3.34Å; E163-R167 IonicContact OE2-NH2 2.66Å; E163-R167 PolarHBondContact OE2-NH2 3.5Å; Q164-R167 PolarHBondContact O-N 3.48Å; Q164-R167 VanDerWaalsContact O-N 3.17Å
168	K	87.7	Confident	90.8	Very high	40 Å²	40	33.8 Å²	33.8	17%	0.174	16%	0.159	C	C	.	.	H	α-helix	trans	-59.3	-53.2	175.9	-71.7	-169.9	178.3	-163.2	0	110.5	T120 D124 M126 D127 Q164 R205	T120-K168 HydrophobicContact CG2-CD 3.73Å; D124-K168 PolarHBondContact O-NZ 2.91Å; M126-K168 WeakPolarHBondContact O-CD 3.31Å; M126-K168 VanDerWaalsContact O-CE 3.26Å; M126-K168 WeakPolarHBondContact O-CE 2.98Å; M126-K168 PolarHBondContact O-NZ 2.88Å; D127-K168 CarbonylContact O-C 3.41Å; D127-K168 WeakPolarHBondContact O-CA 3.24Å; Q164-K168 WeakPolarHBondContact O-CB 3.28Å; Q164-K168 WeakPolarHBondContact O-CG 3.4Å; Q164-K168 PolarHBondContact O-N 3.45Å; K168-R205 PolarHBondContact O-NE 3.22Å; K168-R205 PolarHBondContact O-NH2 3.11Å
169	G	89.6	Confident	90.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	16%	0.162	C	C	.	.			trans	80.1	178.7	-176.8	0	0	0	0	0	112.8	A128 T129 S165 R203	A128-G169 CarbonylContact C-O 3.37Å; A128-G169 VanDerWaalsContact CA-O 3.24Å; A128-G169 WeakPolarHBondContact CA-O 3.43Å; T129-G169 PolarHBondContact N-O 3.17Å; S165-G169 WeakPolarHBondContact O-CA 3.2Å; S165-G169 PolarHBondContact O-N 3.04Å; G169-R203 CarbonylContact C-O 3.57Å
170	L	90.7	Very high	90	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129	-158.2	-169.1	69.8	0	0	0	113.7	A131 L156 V172 F196 A202 R203 L204 R205	A131-L170 HydrophobicContact CB-CD1 3.89Å; L156-L170 HydrophobicContact CD2-CD1 4.04Å; L156-L170 HydrophobicContact CD2-CD2 3.81Å; L170-V172 HydrophobicContact CD2-CG2 3.67Å; L170-V172 HydrophobicContact CG-CG2 3.9Å; L170-F196 HydrophobicContact CD2-CD1 4.01Å; L170-F196 HydrophobicContact CD2-CE1 3.59Å; L170-A202 HydrophobicContact CB-CB 4.28Å; L170-R203 PolarHBondContact N-O 3.18Å; L170-L204 CarbonylContact O-C 3.56Å; L170-L204 WeakPolarHBondContact O-CA 3.12Å; L170-R205 PolarHBondContact O-N 3.11Å
171	M	91.6	Very high	89.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.3	159	-170.7	174.5	-37.1	0	0	109.5	M126 A128 T129 A131 L173 K206 I208 L247	M126-M171 HydrophobicContact CE-CE 4.02Å; A128-M171 HydrophobicContact CB-CB 3.89Å; A128-M171 HydrophobicContact CB-CE 4.08Å; T129-M171 PolarHBondContact O-N 2.98Å; A131-M171 PolarHBondContact N-O 3.42Å; M171-L173 HydrophobicContact CG-CD2 4.39Å; M171-L173 HydrophobicContact SD-CD2 4.32Å; M171-K206 WeakPolarHBondContact CA-O 3.49Å; M171-K206 HydrophobicContact CE-CD 4.25Å; M171-K206 HydrophobicContact CG-CB 4.05Å; M171-K206 HydrophobicContact SD-CB 4.28Å; M171-K206 HydrophobicContact SD-CD 4.32Å; M171-I208 HydrophobicContact SD-CD1 3.67Å; M171-I208 HydrophobicContact SD-CG1 4.48Å; M171-L247 HydrophobicContact CE-CD2 4.1Å; M171-L247 HydrophobicContact SD-CD2 3.67Å
172	V	92.3	Very high	89.1	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.9	-179.8	-177.1	0	0	0	0	110.1	A131 L170 F196 L204 K206 V207 I208	A131-V172 CarbonylContact O-C 3.47Å; A131-V172 WeakPolarHBondContact O-CA 3.42Å; L170-V172 HydrophobicContact CD2-CG2 3.67Å; L170-V172 HydrophobicContact CG-CG2 3.9Å; V172-F196 HydrophobicContact CG1-CE2 4.01Å; V172-F196 HydrophobicContact CG1-CZ 4.3Å; V172-F196 HydrophobicContact CG2-CD1 4.13Å; V172-F196 HydrophobicContact CG2-CD2 4.32Å; V172-F196 HydrophobicContact CG2-CE1 3.89Å; V172-F196 HydrophobicContact CG2-CE2 4.09Å; V172-F196 HydrophobicContact CG2-CG 4.36Å; V172-F196 HydrophobicContact CG2-CZ 3.87Å; V172-L204 HydrophobicContact CG2-CD1 3.85Å; V172-K206 PolarHBondContact N-O 3.31Å; V172-V207 HydrophobicContact CB-CG2 4.44Å; V172-V207 CarbonylContact O-C 3.57Å; V172-V207 VanDerWaalsContact O-CA 3.25Å; V172-V207 WeakPolarHBondContact O-CA 3.4Å; V172-I208 PolarHBondContact O-N 3.5Å
173	L	93.6	Very high	89	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.6	171.1	-47.8	-178.9	0	0	0	108.8	V130 A131 I132 F133 M171 I208 I210 L247 L255	V130-L173 HydrophobicContact CG1-CD1 3.67Å; V130-L173 HydrophobicContact CG1-CG 3.94Å; A131-L173 PolarHBondContact O-N 3.19Å; I132-L173 WeakPolarHBondContact CA-O 3.38Å; I132-L173 HydrophobicContact CB-CB 4.16Å; I132-L173 HydrophobicContact CB-CD1 4.48Å; I132-L173 HydrophobicContact CD1-CB 4.47Å; I132-L173 HydrophobicContact CD1-CD1 4.42Å; I132-L173 HydrophobicContact CG1-CB 4.05Å; F133-L173 PolarHBondContact N-O 3.18Å; M171-L173 HydrophobicContact CG-CD2 4.39Å; M171-L173 HydrophobicContact SD-CD2 4.32Å; L173-I208 CarbonylContact C-O 3.58Å; L173-I208 WeakPolarHBondContact CA-O 3.37Å; L173-I208 HydrophobicContact CD2-CB 3.87Å; L173-I208 HydrophobicContact CD2-CD1 3.95Å; L173-I208 HydrophobicContact CD2-CG1 4.21Å; L173-I210 HydrophobicContact CB-CD1 4.18Å; L173-I210 HydrophobicContact CD1-CD1 4.48Å; L173-L247 HydrophobicContact CD1-CD1 3.78Å; L173-L247 HydrophobicContact CD2-CD1 4.11Å; L173-L255 HydrophobicContact CD1-CD1 3.51Å; L173-L255 HydrophobicContact CD1-CD2 4.22Å
174	Y	93.4	Very high	88.9	Confident	29 Å²	29	41.2 Å²	41.2	11%	0.114	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	94.2	172.1	-169.1	-109.1	0	0	0	107	F133 A135 M176 C189 I208 I209 I210	F133-Y174 HydrophobicContact CB-CD2 4.04Å; F133-Y174 AromaticContact CD1-CD2 3.8Å; F133-Y174 HydrophobicContact CD1-CD2 3.8Å; F133-Y174 AromaticContact CD1-CE2 3.47Å; F133-Y174 HydrophobicContact CD1-CE2 3.47Å; F133-Y174 VanDerWaalsContact CD1-CE2 3.47Å; F133-Y174 AromaticContact CE1-CE2 3.93Å; F133-Y174 HydrophobicContact CE1-CE2 3.93Å; F133-Y174 HydrophobicContact CG-CD2 4.18Å; F133-Y174 HydrophobicContact CG-CE2 4.2Å; A135-Y174 HydrophobicContact CB-CE1 4.19Å; A135-Y174 HydrophobicContact CB-CE2 4.17Å; Y174-M176 HydrophobicContact CD1-CG 3.49Å; Y174-M176 VanDerWaalsContact CD1-CG 3.49Å; Y174-M176 HydrophobicContact CD1-SD 3.8Å; Y174-M176 HydrophobicContact CE1-CE 3.93Å; Y174-M176 HydrophobicContact CE1-CG 3.58Å; Y174-M176 HydrophobicContact CE1-SD 3.58Å; Y174-M176 VanDerWaalsContact CE1-SD 3.58Å; Y174-M176 PolarHBondContact O-N 3.22Å; Y174-C189 PolarHBondContact OH-SG 2.88Å; Y174-I208 PolarHBondContact N-O 3.18Å; Y174-I209 HydrophobicContact CD1-CG2 4.25Å; Y174-I209 WeakPolarHBondContact O-CA 3.33Å; Y174-I210 PolarHBondContact O-N 3.13Å
175	D	93	Very high	88.9	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.027	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	109	-174.9	-173	4.6	0	0	0	109.7	I132 F133 A135 R177 I210	I132-D175 HydrophobicContact CD1-CB 4.16Å; I132-D175 HydrophobicContact CG1-CB 4.4Å; F133-D175 PolarHBondContact O-N 3.14Å; A135-D175 VanDerWaalsContact CB-O 3.26Å; A135-D175 WeakPolarHBondContact CB-O 3.22Å; A135-D175 PolarHBondContact N-O 2.99Å; D175-R177 WeakPolarHBondContact OD1-CB 3.46Å; D175-R177 VanDerWaalsContact OD1-CG 3.31Å; D175-R177 WeakPolarHBondContact OD1-CG 3.39Å; D175-R177 IonicContact OD1-CZ 3.45Å; D175-R177 PolarHBondContact OD1-N 3.45Å; D175-R177 IonicContact OD1-NE 2.72Å; D175-R177 PolarHBondContact OD1-NE 3.19Å; D175-R177 IonicContact OD1-NH2 3.96Å; D175-R177 IonicContact OD2-CZ 2.73Å; D175-R177 IonicContact OD2-NE 3.28Å; D175-R177 PolarHBondContact OD2-NE 3.02Å; D175-R177 IonicContact OD2-NH2 3.45Å; D175-R177 PolarHBondContact OD2-NH2 3.3Å; D175-I210 HydrophobicContact CB-CD1 4.33Å
176	M	93	Very high	88.6	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	18%	0.18	C	C	.	.			trans	-102.4	7.4	-178.1	-60.4	-158.7	75	0	0	113.5	A135 Y174 D178 T179 I209 I210 P212 P213 W215 F216	A135-M176 HydrophobicContact CB-CG 4.48Å; Y174-M176 HydrophobicContact CD1-CG 3.49Å; Y174-M176 VanDerWaalsContact CD1-CG 3.49Å; Y174-M176 HydrophobicContact CD1-SD 3.8Å; Y174-M176 HydrophobicContact CE1-CE 3.93Å; Y174-M176 HydrophobicContact CE1-CG 3.58Å; Y174-M176 HydrophobicContact CE1-SD 3.58Å; Y174-M176 VanDerWaalsContact CE1-SD 3.58Å; Y174-M176 PolarHBondContact O-N 3.22Å; M176-D178 PolarHBondContact O-N 2.97Å; M176-T179 VanDerWaalsContact C-OG1 3.28Å; M176-T179 WeakPolarHBondContact CA-OG1 3.45Å; M176-T179 HydrophobicContact CE-CG2 4.16Å; M176-T179 WeakPolarHBondContact O-CB 3.46Å; M176-T179 PolarHBondContact O-N 3.43Å; M176-T179 VanDerWaalsContact O-N 3.12Å; M176-T179 PolarHBondContact O-OG1 2.88Å; M176-T179 VanDerWaalsContact O-OG1 3.07Å; M176-I209 HydrophobicContact CG-CG2 3.94Å; M176-I209 HydrophobicContact SD-CG2 3.75Å; M176-I210 WeakPolarHBondContact CA-O 3.28Å; M176-I210 WeakPolarHBondContact CB-O 3.34Å; M176-I210 PolarHBondContact N-O 2.98Å; M176-P212 HydrophobicContact SD-CB 4.17Å; M176-P213 HydrophobicContact CE-CG 4.33Å; M176-W215 HydrophobicContact CE-CH2 3.63Å; M176-W215 HydrophobicContact CE-CZ2 4.23Å; M176-W215 HydrophobicContact CE-CZ3 4.38Å; M176-F216 HydrophobicContact CE-CB 4.19Å; M176-F216 HydrophobicContact CE-CD2 3.57Å; M176-F216 HydrophobicContact CE-CE2 4.02Å; M176-F216 HydrophobicContact CE-CG 3.86Å; M176-F216 HydrophobicContact SD-CB 4.35Å; M176-F216 HydrophobicContact SD-CD1 3.77Å; M176-F216 HydrophobicContact SD-CD2 3.73Å; M176-F216 HydrophobicContact SD-CE1 3.87Å; M176-F216 HydrophobicContact SD-CE2 3.84Å; M176-F216 HydrophobicContact SD-CG 3.68Å; M176-F216 HydrophobicContact SD-CZ 3.9Å
177	R	89.4	Confident	88.2	Confident	62 Å²	62	40.2 Å²	40.2	23%	0.234	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	141.4	171.2	-65.8	178.1	-59.6	153.6	12.1	110.1	D175 T179 I210 E211 F256	D175-R177 WeakPolarHBondContact OD1-CB 3.46Å; D175-R177 VanDerWaalsContact OD1-CG 3.31Å; D175-R177 WeakPolarHBondContact OD1-CG 3.39Å; D175-R177 IonicContact OD1-CZ 3.45Å; D175-R177 PolarHBondContact OD1-N 3.45Å; D175-R177 IonicContact OD1-NE 2.72Å; D175-R177 PolarHBondContact OD1-NE 3.19Å; D175-R177 IonicContact OD1-NH2 3.96Å; D175-R177 IonicContact OD2-CZ 2.73Å; D175-R177 IonicContact OD2-NE 3.28Å; D175-R177 PolarHBondContact OD2-NE 3.02Å; D175-R177 IonicContact OD2-NH2 3.45Å; D175-R177 PolarHBondContact OD2-NH2 3.3Å; R177-T179 PolarHBondContact O-N 3.38Å; R177-T179 PolarHBondContact O-OG1 3Å; R177-T179 VanDerWaalsContact O-OG1 3.08Å; R177-I210 HydrophobicContact CG-CG2 4.45Å; R177-E211 HydrophobicContact CG-CB 3.75Å; R177-E211 HydrophobicContact CG-CG 3.87Å; R177-F256 VanDerWaalsContact NH2-CD1 3.28Å
178	D	87.2	Confident	88.3	Confident	143 Å²	143	37.5 Å²	37.5	77%	0.765	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	8.5	-175	-59.8	-59.3	0	0	0	116.9	M176 K180	M176-D178 PolarHBondContact O-N 2.97Å; D178-K180 PolarHBondContact O-N 3.13Å
179	T	86.4	Confident	88.3	Confident	8 Å²	8	36.2 Å²	36.2	5%	0.049	17%	0.17	C	C	.	.			trans	-77.8	121.1	-170.9	-61	0	0	0	0	111	A135 Y136 M176 R177 N183 W215	A135-T179 HydrophobicContact CB-CG2 3.78Å; Y136-T179 PolarHBondContact N-OG1 3Å; Y136-T179 VanDerWaalsContact N-OG1 3.11Å; M176-T179 VanDerWaalsContact C-OG1 3.28Å; M176-T179 WeakPolarHBondContact CA-OG1 3.45Å; M176-T179 HydrophobicContact CE-CG2 4.16Å; M176-T179 WeakPolarHBondContact O-CB 3.46Å; M176-T179 PolarHBondContact O-N 3.43Å; M176-T179 VanDerWaalsContact O-N 3.12Å; M176-T179 PolarHBondContact O-OG1 2.88Å; M176-T179 VanDerWaalsContact O-OG1 3.07Å; R177-T179 PolarHBondContact O-N 3.38Å; R177-T179 PolarHBondContact O-OG1 3Å; R177-T179 VanDerWaalsContact O-OG1 3.08Å; T179-N183 HydrophobicContact CG2-CB 3.86Å; T179-W215 HydrophobicContact CG2-CH2 4.43Å; T179-W215 HydrophobicContact CG2-CZ2 4.24Å; T179-W215 WeakPolarHBondContact O-CZ2 3.11Å
180	K	84.6	Confident	88	Confident	142 Å²	142	38 Å²	38	62%	0.617	18%	0.179	S	C	*	.			trans	-91.1	159.4	177.6	-62	164.5	-172.4	167.1	0	109.7	D178 S182 N183	D178-K180 PolarHBondContact O-N 3.13Å; K180-S182 WeakPolarHBondContact CB-OG 3.42Å; K180-S182 PolarHBondContact O-N 3.38Å; K180-S182 VanDerWaalsContact O-N 3.12Å; K180-N183 WeakPolarHBondContact CB-OD1 3.43Å; K180-N183 PolarHBondContact N-OD1 3.16Å; K180-N183 WeakPolarHBondContact O-CB 3.35Å; K180-N183 PolarHBondContact O-N 2.81Å; K180-N183 PolarHBondContact O-OD1 3.48Å
181	Y	83.7	Confident	87.8	Confident	163 Å²	163	40.6 Å²	40.6	64%	0.639	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-57	-29.6	176.5	-173.5	-90.9	0	0	0	112.7	N183 F184 W215	Y181-N183 VanDerWaalsContact C-N 3.25Å; Y181-N183 PolarHBondContact O-N 2.92Å; Y181-F184 WeakPolarHBondContact O-CB 3.39Å; Y181-F184 PolarHBondContact O-N 3.42Å; Y181-F184 VanDerWaalsContact O-N 3.09Å; Y181-W215 HydrophobicContact CD2-CD2 4.09Å; Y181-W215 AromaticContact CD2-CE3 3.73Å; Y181-W215 HydrophobicContact CD2-CE3 3.73Å; Y181-W215 HydrophobicContact CD2-CZ3 4.22Å; Y181-W215 HydrophobicContact CE2-CE3 4.44Å
182	S	81.8	Confident	87.7	Confident	57 Å²	57	41.3 Å²	41.3	40%	0.399	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-64.4	-22.7	173.6	49.3	0	0	0	0	114.7	P140 K180	P140-S182 WeakPolarHBondContact CD-O 3.49Å; K180-S182 WeakPolarHBondContact CB-OG 3.42Å; K180-S182 PolarHBondContact O-N 3.38Å; K180-S182 VanDerWaalsContact O-N 3.12Å
183	N	86.6	Confident	87.3	Confident	13 Å²	13	42.8 Å²	42.8	7%	0.07	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-84.9	-12.1	174	-58.8	104.7	0	0	0	112.4	Y136 H138 T179 K180 Y181 D185	Y136-N183 PolarHBondContact O-ND2 3.41Å; H138-N183 PolarHBondContact CD2-O 2.85Å; H138-N183 WeakPolarHBondContact O-CA 3.44Å; H138-N183 WeakPolarHBondContact O-CB 3.28Å; H138-N183 PolarHBondContact O-ND2 2.75Å; T179-N183 HydrophobicContact CG2-CB 3.86Å; K180-N183 WeakPolarHBondContact CB-OD1 3.43Å; K180-N183 PolarHBondContact N-OD1 3.16Å; K180-N183 WeakPolarHBondContact O-CB 3.35Å; K180-N183 PolarHBondContact O-N 2.81Å; K180-N183 PolarHBondContact O-OD1 3.48Å; Y181-N183 VanDerWaalsContact C-N 3.25Å; Y181-N183 PolarHBondContact O-N 2.92Å; N183-D185 PolarHBondContact O-N 2.79Å
184	F	87	Confident	86.8	Confident	17 Å²	17	45.6 Å²	45.6	8%	0.075	22%	0.216	C	C	.	.			trans	-88.7	100.1	-167.2	-178.1	-114.6	0	0	0	113.5	Y181 Y186 W215 F216 P219 L223	Y181-F184 WeakPolarHBondContact O-CB 3.39Å; Y181-F184 PolarHBondContact O-N 3.42Å; Y181-F184 VanDerWaalsContact O-N 3.09Å; F184-Y186 HydrophobicContact CE1-CD2 4.2Å; F184-Y186 HydrophobicContact CZ-CD2 4.31Å; F184-Y186 PolarHBondContact O-N 3.33Å; F184-W215 HydrophobicContact CB-CH2 3.52Å; F184-W215 HydrophobicContact CB-CZ3 3.71Å; F184-W215 HydrophobicContact CD1-CH2 4.46Å; F184-W215 AromaticContact CD1-CZ3 3.82Å; F184-W215 HydrophobicContact CD1-CZ3 3.82Å; F184-W215 HydrophobicContact CD2-CH2 4.09Å; F184-W215 HydrophobicContact CD2-CZ3 4.08Å; F184-W215 AromaticContact CG-CH2 3.75Å; F184-W215 HydrophobicContact CG-CH2 3.75Å; F184-W215 AromaticContact CG-CZ3 3.56Å; F184-W215 HydrophobicContact CG-CZ3 3.56Å; F184-F216 HydrophobicContact CD2-CD2 4.36Å; F184-F216 HydrophobicContact CD2-CE2 4.38Å; F184-F216 AromaticContact CE2-CD2 3.93Å; F184-F216 HydrophobicContact CE2-CD2 3.93Å; F184-F216 AromaticContact CE2-CE2 3.61Å; F184-F216 HydrophobicContact CE2-CE2 3.61Å; F184-F216 HydrophobicContact CZ-CD2 4.2Å; F184-F216 AromaticContact CZ-CE2 3.96Å; F184-F216 HydrophobicContact CZ-CE2 3.96Å; F184-P219 HydrophobicContact CD1-CG 4.48Å; F184-P219 HydrophobicContact CE1-CB 3.62Å; F184-P219 HydrophobicContact CE1-CG 3.78Å; F184-P219 HydrophobicContact CZ-CB 3.92Å; F184-P219 HydrophobicContact CZ-CG 4.15Å; F184-L223 HydrophobicContact CZ-CD1 4.48Å
185	D	86	Confident	86.5	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.016	21%	0.212	C	C	.	.			trans	-88.6	94.7	172	-161.9	-44	0	0	0	112.8	P140 H145 N183 H187 L188 C189 R439	P140-D185 HydrophobicContact CG-CB 4.15Å; H145-D185 IonicContact CD2-OD2 2.65Å; H145-D185 IonicContact CE1-OD1 2.79Å; H145-D185 IonicContact CE1-OD2 2.72Å; H145-D185 IonicContact NE2-OD1 2.71Å; H145-D185 PolarHBondContact NE2-OD1 3.49Å; H145-D185 IonicContact NE2-OD2 3.8Å; H145-D185 PolarHBondContact NE2-OD2 3.49Å; N183-D185 PolarHBondContact O-N 2.79Å; D185-H187 VanDerWaalsContact C-N 3.29Å; D185-H187 PolarHBondContact O-N 2.93Å; D185-H187 WeakPolarHBondContact OD1-CA 3.2Å; D185-H187 PolarHBondContact OD1-N 3.32Å; D185-L188 HydrophobicContact CB-CB 3.78Å; D185-L188 HydrophobicContact CB-CD2 4.41Å; D185-L188 VanDerWaalsContact CG-CB 3.5Å; D185-L188 WeakPolarHBondContact OD1-CB 3.4Å; D185-L188 PolarHBondContact OD1-N 2.95Å; D185-C189 VanDerWaalsContact O-CB 3.3Å; D185-C189 WeakPolarHBondContact O-CB 3.17Å; D185-C189 PolarHBondContact O-N 2.93Å; D185-C189 PolarHBondContact O-SG 3.45Å; D185-R439 IonicContact OD1-CZ 2.71Å; D185-R439 IonicContact OD1-NH1 2.79Å; D185-R439 PolarHBondContact OD1-NH1 3Å; D185-R439 IonicContact OD1-NH2 2.69Å; D185-R439 PolarHBondContact OD1-NH2 2.89Å; D185-R439 IonicContact OD2-CZ 2.71Å; D185-R439 IonicContact OD2-NH1 2.76Å; D185-R439 PolarHBondContact OD2-NH1 2.93Å; D185-R439 IonicContact OD2-NH2 3.18Å; D185-R439 PolarHBondContact OD2-NH2 3.16Å
186	Y	84.3	Confident	86	Confident	47 Å²	47	45.3 Å²	45.3	18%	0.184	22%	0.215	C	C	.	.	H	α-helix	trans	-56.2	-35	173.3	178.7	-99.2	0	0	0	114.5	F184 I190 P219 V222 L223	F184-Y186 HydrophobicContact CE1-CD2 4.2Å; F184-Y186 HydrophobicContact CZ-CD2 4.31Å; F184-Y186 PolarHBondContact O-N 3.33Å; Y186-I190 HydrophobicContact CD1-CD1 4.13Å; Y186-I190 HydrophobicContact CE1-CD1 3.45Å; Y186-I190 VanDerWaalsContact CE1-CD1 3.45Å; Y186-I190 HydrophobicContact CE1-CG1 4.44Å; Y186-I190 HydrophobicContact CE2-CD1 4.47Å; Y186-I190 WeakPolarHBondContact O-CG1 3.48Å; Y186-I190 PolarHBondContact O-N 2.97Å; Y186-I190 VanDerWaalsContact O-N 3.11Å; Y186-P219 HydrophobicContact CD2-CB 4.17Å; Y186-V222 HydrophobicContact CE2-CG1 4.38Å; Y186-V222 VanDerWaalsContact OH-CG1 3.31Å; Y186-V222 WeakPolarHBondContact OH-CG1 3.23Å; Y186-L223 HydrophobicContact CD2-CD2 4.06Å; Y186-L223 HydrophobicContact CD2-CG 4.3Å; Y186-L223 HydrophobicContact CE2-CD2 3.63Å; Y186-L223 HydrophobicContact CE2-CG 3.9Å
187	H	82.5	Confident	85.2	Confident	45 Å²	45	49.1 Å²	49.1	21%	0.208	23%	0.232	C	C	.	.	H	α-helix	trans	-80.7	-44.5	-174.9	-80	-94.3	0	0	0	111.8	D185 C189 I190 K191 N437	D185-H187 VanDerWaalsContact C-N 3.29Å; D185-H187 PolarHBondContact O-N 2.93Å; D185-H187 WeakPolarHBondContact OD1-CA 3.2Å; D185-H187 PolarHBondContact OD1-N 3.32Å; H187-C189 VanDerWaalsContact C-N 3.28Å; H187-C189 PolarHBondContact O-N 2.77Å; H187-I190 WeakPolarHBondContact O-CB 3.23Å; H187-I190 PolarHBondContact O-N 3.5Å; H187-I190 VanDerWaalsContact O-N 3.11Å; H187-K191 PolarHBondContact O-N 3.21Å; H187-N437 PolarHBondContact CE1-O 2.91Å
188	L	89.3	Confident	84.5	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-41.6	167.4	178.8	66.3	0	0	0	110.8	F133 H138 T148 D185 I190 K191 L192	F133-L188 HydrophobicContact CZ-CD2 4.23Å; H138-L188 WeakPolarHBondContact CE1-CD2 3.37Å; T148-L188 HydrophobicContact CG2-CD1 3.98Å; T148-L188 HydrophobicContact CG2-CD2 3.65Å; T148-L188 HydrophobicContact CG2-CG 4.45Å; D185-L188 HydrophobicContact CB-CB 3.78Å; D185-L188 HydrophobicContact CB-CD2 4.41Å; D185-L188 VanDerWaalsContact CG-CB 3.5Å; D185-L188 WeakPolarHBondContact OD1-CB 3.4Å; D185-L188 PolarHBondContact OD1-N 2.95Å; L188-I190 VanDerWaalsContact C-N 3.28Å; L188-I190 PolarHBondContact O-N 2.82Å; L188-K191 PolarHBondContact O-N 3.31Å; L188-L192 HydrophobicContact CD1-CD1 4.21Å; L188-L192 HydrophobicContact CD1-CG 4.08Å; L188-L192 HydrophobicContact CD2-CD1 4.36Å; L188-L192 HydrophobicContact CG-CD1 3.88Å; L188-L192 HydrophobicContact CG-CG 4.17Å; L188-L192 WeakPolarHBondContact O-CB 3.22Å; L188-L192 WeakPolarHBondContact O-CG 3.21Å; L188-L192 PolarHBondContact O-N 2.95Å
189	C	87.6	Confident	84.6	Confident	12 Å²	12	42.2 Å²	42.2	8%	0.081	21%	0.207	C	C	.	.	H	α-helix	trans	-58.6	-38.1	174	-73.7	0	0	0	0	112.4	Y174 D185 H187 L193 L223	Y174-C189 PolarHBondContact OH-SG 2.88Å; D185-C189 VanDerWaalsContact O-CB 3.3Å; D185-C189 WeakPolarHBondContact O-CB 3.17Å; D185-C189 PolarHBondContact O-N 2.93Å; D185-C189 PolarHBondContact O-SG 3.45Å; H187-C189 VanDerWaalsContact C-N 3.28Å; H187-C189 PolarHBondContact O-N 2.77Å; C189-L193 WeakPolarHBondContact O-CB 3.37Å; C189-L193 WeakPolarHBondContact O-CD1 3.49Å; C189-L193 WeakPolarHBondContact O-CG 3.38Å; C189-L193 PolarHBondContact O-N 3.39Å; C189-L223 HydrophobicContact CB-CD1 4.33Å
190	I	83.3	Confident	84.9	Confident	40 Å²	40	42.1 Å²	42.1	21%	0.205	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-43.3	171.9	-73.5	176.1	0	0	0	111.5	Y186 H187 L188 N194 L223	Y186-I190 HydrophobicContact CD1-CD1 4.13Å; Y186-I190 HydrophobicContact CE1-CD1 3.45Å; Y186-I190 VanDerWaalsContact CE1-CD1 3.45Å; Y186-I190 HydrophobicContact CE1-CG1 4.44Å; Y186-I190 HydrophobicContact CE2-CD1 4.47Å; Y186-I190 WeakPolarHBondContact O-CG1 3.48Å; Y186-I190 PolarHBondContact O-N 2.97Å; Y186-I190 VanDerWaalsContact O-N 3.11Å; H187-I190 WeakPolarHBondContact O-CB 3.23Å; H187-I190 PolarHBondContact O-N 3.5Å; H187-I190 VanDerWaalsContact O-N 3.11Å; L188-I190 VanDerWaalsContact C-N 3.28Å; L188-I190 PolarHBondContact O-N 2.82Å; I190-N194 WeakPolarHBondContact CG2-ND2 3.26Å; I190-N194 WeakPolarHBondContact O-CB 3.43Å; I190-N194 PolarHBondContact O-N 3.05Å; I190-N194 PolarHBondContact O-ND2 2.85Å; I190-L223 HydrophobicContact CD1-CD2 4.22Å; I190-L223 HydrophobicContact CG1-CD2 3.5Å; I190-L223 VanDerWaalsContact CG1-CD2 3.5Å
191	K	87.6	Confident	85.3	Confident	55 Å²	55	35.4 Å²	35.4	24%	0.239	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-50.9	177.3	-68.7	-169.2	-178.5	-169.2	0	111.5	E94 H145 H187 L188 L193 N194 L195	E94-K191 WeakPolarHBondContact OE1-CE 3.44Å; E94-K191 IonicContact OE1-NZ 3.44Å; E94-K191 VanDerWaalsContact OE2-CE 3.3Å; E94-K191 WeakPolarHBondContact OE2-CE 3.3Å; E94-K191 IonicContact OE2-NZ 2.75Å; E94-K191 PolarHBondContact OE2-NZ 3.11Å; H145-K191 HydrophobicContact CB-CD 4.14Å; H187-K191 PolarHBondContact O-N 3.21Å; L188-K191 PolarHBondContact O-N 3.31Å; K191-L193 PolarHBondContact O-N 3.28Å; K191-N194 PolarHBondContact O-N 3.33Å; K191-L195 WeakPolarHBondContact O-CB 3.44Å; K191-L195 PolarHBondContact O-N 3.23Å
192	L	89.4	Confident	85.7	Confident	14 Å²	14	28.3 Å²	28.3	7%	0.073	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-44.3	177.4	-65.5	175.7	0	0	0	112.1	F133 L149 V152 L188 N194 L195 F196	F133-L192 HydrophobicContact CD2-CD1 4.21Å; F133-L192 HydrophobicContact CE2-CD1 4Å; L149-L192 HydrophobicContact CD1-CD2 4.47Å; V152-L192 HydrophobicContact CB-CD2 4.45Å; V152-L192 HydrophobicContact CG1-CD2 4.04Å; V152-L192 HydrophobicContact CG2-CD2 4.23Å; L188-L192 HydrophobicContact CD1-CD1 4.21Å; L188-L192 HydrophobicContact CD1-CG 4.08Å; L188-L192 HydrophobicContact CD2-CD1 4.36Å; L188-L192 HydrophobicContact CG-CD1 3.88Å; L188-L192 HydrophobicContact CG-CG 4.17Å; L188-L192 WeakPolarHBondContact O-CB 3.22Å; L188-L192 WeakPolarHBondContact O-CG 3.21Å; L188-L192 PolarHBondContact O-N 2.95Å; L192-N194 VanDerWaalsContact C-N 3.35Å; L192-N194 PolarHBondContact O-N 2.96Å; L192-L195 WeakPolarHBondContact O-CB 3.23Å; L192-L195 PolarHBondContact O-N 3.39Å; L192-F196 HydrophobicContact CB-CE2 4.39Å; L192-F196 WeakPolarHBondContact O-CD2 3.41Å; L192-F196 PolarHBondContact O-N 3.33Å
193	L	82.7	Confident	86	Confident	39 Å²	39	29.2 Å²	29.2	20%	0.204	15%	0.146	C	C	.	.	H	α-helix	trans	-63.5	-38.7	174.9	-75.6	170	0	0	0	112.1	C189 K191 K197 L223	C189-L193 WeakPolarHBondContact O-CB 3.37Å; C189-L193 WeakPolarHBondContact O-CD1 3.49Å; C189-L193 WeakPolarHBondContact O-CG 3.38Å; C189-L193 PolarHBondContact O-N 3.39Å; K191-L193 PolarHBondContact O-N 3.28Å; L193-K197 WeakPolarHBondContact O-CB 3.43Å; L193-K197 PolarHBondContact O-N 3.19Å; L193-L223 HydrophobicContact CD1-CB 4.22Å; L193-L223 HydrophobicContact CD1-CD1 4.13Å; L193-L223 HydrophobicContact CD1-CD2 4.15Å; L193-L223 HydrophobicContact CD1-CG 4.4Å
194	N	83.2	Confident	86.1	Confident	58 Å²	58	29.4 Å²	29.4	31%	0.31	15%	0.147	S	C	.	.	H	α-helix	trans	-70.7	-31.9	175.8	-77	-38.8	0	0	0	112.8	I190 K191 L192 K197 V199	I190-N194 WeakPolarHBondContact CG2-ND2 3.26Å; I190-N194 WeakPolarHBondContact O-CB 3.43Å; I190-N194 PolarHBondContact O-N 3.05Å; I190-N194 PolarHBondContact O-ND2 2.85Å; K191-N194 PolarHBondContact O-N 3.33Å; L192-N194 VanDerWaalsContact C-N 3.35Å; L192-N194 PolarHBondContact O-N 2.96Å; N194-K197 WeakPolarHBondContact O-CB 3.29Å; N194-K197 PolarHBondContact O-N 3.49Å; N194-K197 WeakPolarHBondContact OD1-CD 3.45Å; N194-K197 PolarHBondContact OD1-NZ 3.13Å; N194-V199 WeakPolarHBondContact O-CG2 3.44Å
195	L	87.2	Confident	86.2	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-59	-54.2	171	-177.3	66.1	0	0	0	110.3	M90 L149 V152 L153 L156 K191 L192 K197 V199 Y200	M90-L195 HydrophobicContact CE-CD1 3.65Å; M90-L195 HydrophobicContact SD-CD1 4.41Å; L149-L195 HydrophobicContact CD1-CD2 4Å; V152-L195 HydrophobicContact CG1-CD2 4.36Å; L153-L195 HydrophobicContact CD2-CD1 3.96Å; L153-L195 HydrophobicContact CD2-CD2 4.16Å; L156-L195 HydrophobicContact CD1-CD2 4.37Å; K191-L195 WeakPolarHBondContact O-CB 3.44Å; K191-L195 PolarHBondContact O-N 3.23Å; L192-L195 WeakPolarHBondContact O-CB 3.23Å; L192-L195 PolarHBondContact O-N 3.39Å; L195-K197 VanDerWaalsContact C-N 3.33Å; L195-K197 PolarHBondContact O-N 3.18Å; L195-V199 PolarHBondContact O-N 2.81Å; L195-Y200 HydrophobicContact CD1-CD2 3.95Å; L195-Y200 HydrophobicContact CD1-CG 4.29Å; L195-Y200 HydrophobicContact CG-CD2 4.45Å; L195-Y200 HydrophobicContact CG-CG 4.47Å; L195-Y200 PolarHBondContact O-N 3.18Å
196	F	82.6	Confident	86.4	Confident	25 Å²	25	33.9 Å²	33.9	11%	0.11	17%	0.165	C	C	.	.	H	α-helix	trans	-72.3	-19	179.8	-60.6	-50.9	0	0	0	114.4	L156 L170 V172 L192 G198 L204	L156-F196 HydrophobicContact CD1-CE1 3.87Å; L156-F196 HydrophobicContact CD1-CZ 4.23Å; L170-F196 HydrophobicContact CD2-CD1 4.01Å; L170-F196 HydrophobicContact CD2-CE1 3.59Å; V172-F196 HydrophobicContact CG1-CE2 4.01Å; V172-F196 HydrophobicContact CG1-CZ 4.3Å; V172-F196 HydrophobicContact CG2-CD1 4.13Å; V172-F196 HydrophobicContact CG2-CD2 4.32Å; V172-F196 HydrophobicContact CG2-CE1 3.89Å; V172-F196 HydrophobicContact CG2-CE2 4.09Å; V172-F196 HydrophobicContact CG2-CG 4.36Å; V172-F196 HydrophobicContact CG2-CZ 3.87Å; L192-F196 HydrophobicContact CB-CE2 4.39Å; L192-F196 WeakPolarHBondContact O-CD2 3.41Å; L192-F196 PolarHBondContact O-N 3.33Å; F196-G198 PolarHBondContact O-N 2.75Å; F196-L204 HydrophobicContact CB-CD1 4.28Å; F196-L204 HydrophobicContact CB-CD2 4.12Å
197	K	75.9	Confident	86.7	Confident	82 Å²	82	32.1 Å²	32.1	36%	0.357	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-0.3	176.3	178.9	164	167.3	-175.7	0	115.1	L193 N194 L195 F226 M231	L193-K197 WeakPolarHBondContact O-CB 3.43Å; L193-K197 PolarHBondContact O-N 3.19Å; N194-K197 WeakPolarHBondContact O-CB 3.29Å; N194-K197 PolarHBondContact O-N 3.49Å; N194-K197 WeakPolarHBondContact OD1-CD 3.45Å; N194-K197 PolarHBondContact OD1-NZ 3.13Å; L195-K197 VanDerWaalsContact C-N 3.33Å; L195-K197 PolarHBondContact O-N 3.18Å; K197-F226 PolarHBondContact NZ-O 3.22Å; K197-M231 HydrophobicContact CB-CE 3.49Å; K197-M231 VanDerWaalsContact CB-CE 3.49Å; K197-M231 HydrophobicContact CD-CE 3.89Å; K197-M231 HydrophobicContact CG-CE 3.45Å; K197-M231 VanDerWaalsContact CG-CE 3.45Å
198	G	75.5	Confident	87.2	Confident	25 Å²	25	30 Å²	30	26%	0.258	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.3	32.5	177.5	0	0	0	0	0	113.4	R73 L83 F196	R73-G198 VanDerWaalsContact NH2-CA 3.33Å; R73-G198 PolarHBondContact NH2-O 3.24Å; L83-G198 VanDerWaalsContact CD1-O 3.23Å; L83-G198 WeakPolarHBondContact CD1-O 3.37Å; F196-G198 PolarHBondContact O-N 2.75Å
199	V	88.8	Confident	87.4	Confident	34 Å²	34	30.3 Å²	30.3	21%	0.206	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-31.4	168.3	178.7	0	0	0	0	110.8	L83 N87 M90 N194 L195	L83-V199 WeakPolarHBondContact CD1-O 3.32Å; N87-V199 WeakPolarHBondContact CB-O 3.39Å; N87-V199 PolarHBondContact ND2-O 3.37Å; M90-V199 HydrophobicContact CB-CG1 3.43Å; M90-V199 VanDerWaalsContact CB-CG1 3.43Å; M90-V199 HydrophobicContact CE-CG1 4.15Å; M90-V199 HydrophobicContact CG-CG1 3.74Å; N194-V199 WeakPolarHBondContact O-CG2 3.44Å; L195-V199 PolarHBondContact O-N 2.81Å
200	Y	93.6	Very high	87.7	Confident	6 Å²	6	29.8 Å²	29.8	2%	0.024	15%	0.147	C	C	.	.	S	Bend	trans	-78.6	140.6	169.4	-163	-101.8	0	0	0	111.7	L153 L156 D157 M160 L195 A202	L153-Y200 HydrophobicContact CD2-CD2 3.74Å; L153-Y200 HydrophobicContact CD2-CE2 3.71Å; L156-Y200 HydrophobicContact CB-CE1 3.99Å; L156-Y200 HydrophobicContact CB-CE2 4.11Å; L156-Y200 HydrophobicContact CD1-CE1 4.49Å; L156-Y200 PolarHBondContact O-OH 3.49Å; L156-Y200 VanDerWaalsContact O-OH 3.13Å; D157-Y200 WeakPolarHBondContact CA-OH 3.23Å; D157-Y200 PolarHBondContact N-OH 3.26Å; D157-Y200 WeakPolarHBondContact OD1-CE2 3.41Å; D157-Y200 PolarHBondContact OD1-OH 3.32Å; M160-Y200 HydrophobicContact CG-CE1 3.85Å; M160-Y200 WeakPolarHBondContact CG-OH 3.31Å; L195-Y200 HydrophobicContact CD1-CD2 3.95Å; L195-Y200 HydrophobicContact CD1-CG 4.29Å; L195-Y200 HydrophobicContact CG-CD2 4.45Å; L195-Y200 HydrophobicContact CG-CG 4.47Å; L195-Y200 PolarHBondContact O-N 3.18Å; Y200-A202 HydrophobicContact CD1-CB 3.74Å; Y200-A202 HydrophobicContact CE1-CB 4.02Å; Y200-A202 PolarHBondContact O-N 3.15Å
201	P	93.5	Very high	88.1	Confident	1 Å²	1	32 Å²	32	1%	0.006	16%	0.156	C	C	.	.	S	Bend	trans	-81.8	53.9	-176.7	37	-39.2	0	0	0	113.4	L68 Y69 A72 L83	L68-P201 HydrophobicContact CD1-CB 4.48Å; L68-P201 HydrophobicContact CD1-CG 4.49Å; L68-P201 WeakPolarHBondContact CD1-O 3.28Å; L68-P201 HydrophobicContact CD2-CB 4.3Å; L68-P201 HydrophobicContact CD2-CG 3.89Å; L68-P201 HydrophobicContact CG-CB 4.03Å; L68-P201 HydrophobicContact CG-CG 4.13Å; Y69-P201 HydrophobicContact CD1-CB 3.93Å; Y69-P201 HydrophobicContact CD2-CB 4.24Å; Y69-P201 HydrophobicContact CE1-CB 3.65Å; Y69-P201 HydrophobicContact CE1-CG 4.31Å; Y69-P201 HydrophobicContact CE2-CB 4.04Å; Y69-P201 HydrophobicContact CE2-CG 4.26Å; Y69-P201 HydrophobicContact CG-CB 4.21Å; A72-P201 VanDerWaalsContact CB-C 3.48Å; A72-P201 WeakPolarHBondContact CB-O 3.47Å; L83-P201 HydrophobicContact CD2-CB 4.02Å; L83-P201 HydrophobicContact CG-CB 4.42Å
202	A	91.9	Very high	88.3	Confident	14 Å²	14	31.2 Å²	31.2	12%	0.116	16%	0.157	C	C	.	.	S	Bend	trans	-128.1	157.6	170.8	0	0	0	0	0	111.5	M160 L170 Y200 L204	M160-A202 HydrophobicContact CE-CB 3.76Å; M160-A202 HydrophobicContact SD-CB 4.01Å; L170-A202 HydrophobicContact CB-CB 4.28Å; Y200-A202 HydrophobicContact CD1-CB 3.74Å; Y200-A202 HydrophobicContact CE1-CB 4.02Å; Y200-A202 PolarHBondContact O-N 3.15Å; A202-L204 PolarHBondContact O-N 3.28Å
203	R	88.2	Confident	88.3	Confident	77 Å²	77	32.1 Å²	32.1	29%	0.291	16%	0.164	S	C	.	.			trans	-85.1	97.3	169.6	176.3	-179.6	168.4	177	-8.5	109.4	G169 L170 R205	G169-R203 CarbonylContact C-O 3.57Å; L170-R203 PolarHBondContact N-O 3.18Å; R203-R205 PolarHBondContact O-N 2.9Å
204	L	88.9	Confident	88.4	Confident	17 Å²	17	38 Å²	38	9%	0.089	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	114.5	173.1	-174.1	71.3	0	0	0	110.8	L170 V172 F196 A202 V207 M231 R234	L170-L204 CarbonylContact O-C 3.56Å; L170-L204 WeakPolarHBondContact O-CA 3.12Å; V172-L204 HydrophobicContact CG2-CD1 3.85Å; F196-L204 HydrophobicContact CB-CD1 4.28Å; F196-L204 HydrophobicContact CB-CD2 4.12Å; A202-L204 PolarHBondContact O-N 3.28Å; L204-V207 HydrophobicContact CD1-CG2 3.93Å; L204-V207 HydrophobicContact CD2-CG2 3.87Å; L204-V207 HydrophobicContact CG-CG2 4.25Å; L204-M231 HydrophobicContact CD2-CG 4.39Å; L204-R234 PolarHBondContact O-NH1 3.5Å
205	R	88.9	Confident	88.5	Confident	55 Å²	55	38.5 Å²	38.5	21%	0.208	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-68.7	-179.6	-69.1	-96.1	179.1	167.7	6.5	111.1	D127 A128 K168 L170 R203	D127-R205 VanDerWaalsContact O-CZ 3.27Å; D127-R205 PolarHBondContact O-NE 2.66Å; D127-R205 PolarHBondContact O-NH2 3.39Å; D127-R205 WeakPolarHBondContact OD2-CD 3.22Å; D127-R205 IonicContact OD2-CZ 3.67Å; D127-R205 IonicContact OD2-NE 3.47Å; D127-R205 IonicContact OD2-NH1 3.84Å; D127-R205 PolarHBondContact OD2-NH1 3.36Å; A128-R205 HydrophobicContact CB-CB 4.16Å; A128-R205 HydrophobicContact CB-CG 3.87Å; K168-R205 PolarHBondContact O-NE 3.22Å; K168-R205 PolarHBondContact O-NH2 3.11Å; L170-R205 PolarHBondContact O-N 3.11Å; R203-R205 PolarHBondContact O-N 2.9Å
206	K	90.2	Very high	88.5	Confident	58 Å²	58	38.7 Å²	38.7	25%	0.252	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	156.5	174.7	-56.6	177.2	-175.3	171.4	0	109.7	M171 V172 I208 R234 Y236	M171-K206 WeakPolarHBondContact CA-O 3.49Å; M171-K206 HydrophobicContact CE-CD 4.25Å; M171-K206 HydrophobicContact CG-CB 4.05Å; M171-K206 HydrophobicContact SD-CB 4.28Å; M171-K206 HydrophobicContact SD-CD 4.32Å; V172-K206 PolarHBondContact N-O 3.31Å; K206-I208 HydrophobicContact CB-CG1 4.29Å; K206-I208 HydrophobicContact CD-CD1 4.42Å; K206-R234 CarbonylContact C-O 3.57Å; K206-Y236 HydrophobicContact CB-CD2 4.36Å; K206-Y236 HydrophobicContact CB-CE2 4.31Å; K206-Y236 HydrophobicContact CD-CE2 4.3Å; K206-Y236 HydrophobicContact CG-CE2 4.09Å
207	V	90.7	Very high	88.4	Confident	11 Å²	11	45.2 Å²	45.2	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.1	160.7	-179.2	0	0	0	0	106.6	V172 L204 R234 I235 Y236	V172-V207 HydrophobicContact CB-CG2 4.44Å; V172-V207 CarbonylContact O-C 3.57Å; V172-V207 VanDerWaalsContact O-CA 3.25Å; V172-V207 WeakPolarHBondContact O-CA 3.4Å; L204-V207 HydrophobicContact CD1-CG2 3.93Å; L204-V207 HydrophobicContact CD2-CG2 3.87Å; L204-V207 HydrophobicContact CG-CG2 4.25Å; V207-R234 PolarHBondContact N-O 3.33Å; V207-I235 HydrophobicContact CB-CG1 4.1Å; V207-I235 HydrophobicContact CG2-CG1 4.44Å; V207-I235 WeakPolarHBondContact O-CA 3.27Å; V207-Y236 PolarHBondContact O-N 3.45Å
208	I	92.4	Very high	88.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.7	-177.3	-54	177.9	0	0	0	108.7	M171 V172 L173 Y174 K206 I210 V238 L243 H246	M171-I208 HydrophobicContact SD-CD1 3.67Å; M171-I208 HydrophobicContact SD-CG1 4.48Å; V172-I208 PolarHBondContact O-N 3.5Å; L173-I208 CarbonylContact C-O 3.58Å; L173-I208 WeakPolarHBondContact CA-O 3.37Å; L173-I208 HydrophobicContact CD2-CB 3.87Å; L173-I208 HydrophobicContact CD2-CD1 3.95Å; L173-I208 HydrophobicContact CD2-CG1 4.21Å; Y174-I208 PolarHBondContact N-O 3.18Å; K206-I208 HydrophobicContact CB-CG1 4.29Å; K206-I208 HydrophobicContact CD-CD1 4.42Å; I208-I210 HydrophobicContact CG2-CG1 4.24Å; I208-V238 HydrophobicContact CG2-CG1 4.32Å; I208-V238 HydrophobicContact CG2-CG2 3.43Å; I208-V238 VanDerWaalsContact CG2-CG2 3.43Å; I208-L243 HydrophobicContact CD1-CD1 4.31Å; I208-L243 HydrophobicContact CG2-CD1 3.78Å; I208-H246 HydrophobicContact CD1-CB 3.54Å
209	I	93.4	Very high	88.5	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.1	177	-55.8	179	0	0	0	107.2	Y174 M176 P212 F216 F220 I235 Y236 S237 V238	Y174-I209 HydrophobicContact CD1-CG2 4.25Å; Y174-I209 WeakPolarHBondContact O-CA 3.33Å; M176-I209 HydrophobicContact CG-CG2 3.94Å; M176-I209 HydrophobicContact SD-CG2 3.75Å; I209-P212 HydrophobicContact CG2-CB 3.82Å; I209-P212 HydrophobicContact CG2-CG 4.09Å; I209-F216 HydrophobicContact CD1-CE1 3.84Å; I209-F216 HydrophobicContact CD1-CZ 4.03Å; I209-F216 HydrophobicContact CG2-CE1 4.02Å; I209-F220 HydrophobicContact CD1-CD2 3.9Å; I209-F220 HydrophobicContact CD1-CE2 3.5Å; I209-F220 HydrophobicContact CD1-CZ 4.29Å; I209-I235 HydrophobicContact CD1-CG2 4.05Å; I209-I235 HydrophobicContact CG1-CG2 4.5Å; I209-Y236 PolarHBondContact N-O 2.94Å; I209-S237 WeakPolarHBondContact O-CA 3.17Å; I209-V238 PolarHBondContact O-N 3.02Å
210	I	93.8	Very high	88.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	124	-173.5	-53.1	163.3	0	0	0	108.3	L173 Y174 D175 M176 R177 I208 V238 Y240 L243 F256	L173-I210 HydrophobicContact CB-CD1 4.18Å; L173-I210 HydrophobicContact CD1-CD1 4.48Å; Y174-I210 PolarHBondContact O-N 3.13Å; D175-I210 HydrophobicContact CB-CD1 4.33Å; M176-I210 WeakPolarHBondContact CA-O 3.28Å; M176-I210 WeakPolarHBondContact CB-O 3.34Å; M176-I210 PolarHBondContact N-O 2.98Å; R177-I210 HydrophobicContact CG-CG2 4.45Å; I208-I210 HydrophobicContact CG2-CG1 4.24Å; I210-V238 HydrophobicContact CG1-CG2 4.48Å; I210-Y240 HydrophobicContact CG2-CD2 4.4Å; I210-L243 HydrophobicContact CD1-CD1 4.28Å; I210-L243 HydrophobicContact CD1-CD2 3.66Å; I210-L243 HydrophobicContact CG1-CD1 4.12Å; I210-L243 HydrophobicContact CG1-CD2 4.13Å; I210-F256 HydrophobicContact CD1-CZ 4.18Å
211	E	92.5	Very high	87.5	Confident	86 Å²	86	48.6 Å²	48.6	40%	0.402	23%	0.234	S	C	.	.	S	Bend	trans	46.1	57.6	-179	-52.6	-152.7	151.3	0	0	115.3	R177 P213 V238 Y240	R177-E211 HydrophobicContact CG-CB 3.75Å; R177-E211 HydrophobicContact CG-CG 3.87Å; E211-P213 VanDerWaalsContact O-CD 3.25Å; E211-P213 WeakPolarHBondContact O-CD 3.43Å; E211-P213 VanDerWaalsContact O-N 3.13Å; E211-V238 PolarHBondContact N-O 3.3Å; E211-Y240 WeakPolarHBondContact OE1-CB 3.31Å; E211-Y240 PolarHBondContact OE1-N 2.81Å
212	P	91.8	Very high	86.5	Confident	40 Å²	40	50.9 Å²	50.9	26%	0.26	25%	0.248	S	C	.	.			trans	-60.7	116.3	175.8	22.5	-30.2	0	0	0	111.1	M176 I209 F216	M176-P212 HydrophobicContact SD-CB 4.17Å; I209-P212 HydrophobicContact CG2-CB 3.82Å; I209-P212 HydrophobicContact CG2-CG 4.09Å; P212-F216 HydrophobicContact CB-CB 4.43Å; P212-F216 HydrophobicContact CB-CD1 3.55Å; P212-F216 HydrophobicContact CB-CE1 4.2Å; P212-F216 HydrophobicContact CB-CG 4.34Å
213	P	88.1	Confident	85.6	Confident	32 Å²	32	50.5 Å²	50.5	21%	0.208	24%	0.244	C	C	.	.			trans	-64.3	155.1	-179.2	26.9	-35.9	0	0	0	111.1	M176 E211 W215 F216	M176-P213 HydrophobicContact CE-CG 4.33Å; E211-P213 VanDerWaalsContact O-CD 3.25Å; E211-P213 WeakPolarHBondContact O-CD 3.43Å; E211-P213 VanDerWaalsContact O-N 3.13Å; P213-W215 HydrophobicContact CB-CZ2 4.47Å; P213-W215 HydrophobicContact CG-CD2 4.12Å; P213-W215 HydrophobicContact CG-CH2 4.15Å; P213-W215 HydrophobicContact CG-CZ2 3.38Å; P213-W215 PolarHBondContact O-N 2.8Å; P213-F216 HydrophobicContact CG-CB 4.34Å; P213-F216 VanDerWaalsContact O-CB 3.25Å; P213-F216 WeakPolarHBondContact O-CB 3.49Å; P213-F216 PolarHBondContact O-N 2.97Å
214	F	86.5	Confident	85	Confident	163 Å²	163	52.6 Å²	52.6	72%	0.715	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-51.2	-39.1	-171.7	-179.2	-91.9	0	0	0	114.1	F216 R217	F214-F216 PolarHBondContact O-N 3.38Å; F214-R217 WeakPolarHBondContact O-CB 3.36Å; F214-R217 WeakPolarHBondContact O-CG 3.19Å; F214-R217 PolarHBondContact O-N 2.94Å
215	W	84.2	Confident	84.2	Confident	69 Å²	69	57.7 Å²	57.7	26%	0.261	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-62.8	-24.1	178.4	61.7	-104.9	0	0	0	113.4	M176 T179 Y181 F184 P213 R217 P219	M176-W215 HydrophobicContact CE-CH2 3.63Å; M176-W215 HydrophobicContact CE-CZ2 4.23Å; M176-W215 HydrophobicContact CE-CZ3 4.38Å; T179-W215 HydrophobicContact CG2-CH2 4.43Å; T179-W215 HydrophobicContact CG2-CZ2 4.24Å; T179-W215 WeakPolarHBondContact O-CZ2 3.11Å; Y181-W215 HydrophobicContact CD2-CD2 4.09Å; Y181-W215 AromaticContact CD2-CE3 3.73Å; Y181-W215 HydrophobicContact CD2-CE3 3.73Å; Y181-W215 HydrophobicContact CD2-CZ3 4.22Å; Y181-W215 HydrophobicContact CE2-CE3 4.44Å; F184-W215 HydrophobicContact CB-CH2 3.52Å; F184-W215 HydrophobicContact CB-CZ3 3.71Å; F184-W215 HydrophobicContact CD1-CH2 4.46Å; F184-W215 AromaticContact CD1-CZ3 3.82Å; F184-W215 HydrophobicContact CD1-CZ3 3.82Å; F184-W215 HydrophobicContact CD2-CH2 4.09Å; F184-W215 HydrophobicContact CD2-CZ3 4.08Å; F184-W215 AromaticContact CG-CH2 3.75Å; F184-W215 HydrophobicContact CG-CH2 3.75Å; F184-W215 AromaticContact CG-CZ3 3.56Å; F184-W215 HydrophobicContact CG-CZ3 3.56Å; P213-W215 HydrophobicContact CB-CZ2 4.47Å; P213-W215 HydrophobicContact CG-CD2 4.12Å; P213-W215 HydrophobicContact CG-CH2 4.15Å; P213-W215 HydrophobicContact CG-CZ2 3.38Å; P213-W215 PolarHBondContact O-N 2.8Å; W215-R217 VanDerWaalsContact C-N 3.29Å; W215-R217 PolarHBondContact O-N 3.29Å; W215-P219 WeakPolarHBondContact O-CD 3.4Å
216	F	87.2	Confident	83	Confident	7 Å²	7	57.7 Å²	57.7	3%	0.031	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-71.7	-20.3	179.5	-177.7	-106.2	0	0	0	113.1	M176 F184 I209 P212 P213 F214 A218 P219 F220	M176-F216 HydrophobicContact CE-CB 4.19Å; M176-F216 HydrophobicContact CE-CD2 3.57Å; M176-F216 HydrophobicContact CE-CE2 4.02Å; M176-F216 HydrophobicContact CE-CG 3.86Å; M176-F216 HydrophobicContact SD-CB 4.35Å; M176-F216 HydrophobicContact SD-CD1 3.77Å; M176-F216 HydrophobicContact SD-CD2 3.73Å; M176-F216 HydrophobicContact SD-CE1 3.87Å; M176-F216 HydrophobicContact SD-CE2 3.84Å; M176-F216 HydrophobicContact SD-CG 3.68Å; M176-F216 HydrophobicContact SD-CZ 3.9Å; F184-F216 HydrophobicContact CD2-CD2 4.36Å; F184-F216 HydrophobicContact CD2-CE2 4.38Å; F184-F216 AromaticContact CE2-CD2 3.93Å; F184-F216 HydrophobicContact CE2-CD2 3.93Å; F184-F216 AromaticContact CE2-CE2 3.61Å; F184-F216 HydrophobicContact CE2-CE2 3.61Å; F184-F216 HydrophobicContact CZ-CD2 4.2Å; F184-F216 AromaticContact CZ-CE2 3.96Å; F184-F216 HydrophobicContact CZ-CE2 3.96Å; I209-F216 HydrophobicContact CD1-CE1 3.84Å; I209-F216 HydrophobicContact CD1-CZ 4.03Å; I209-F216 HydrophobicContact CG2-CE1 4.02Å; P212-F216 HydrophobicContact CB-CB 4.43Å; P212-F216 HydrophobicContact CB-CD1 3.55Å; P212-F216 HydrophobicContact CB-CE1 4.2Å; P212-F216 HydrophobicContact CB-CG 4.34Å; P213-F216 HydrophobicContact CG-CB 4.34Å; P213-F216 VanDerWaalsContact O-CB 3.25Å; P213-F216 WeakPolarHBondContact O-CB 3.49Å; P213-F216 PolarHBondContact O-N 2.97Å; F214-F216 PolarHBondContact O-N 3.38Å; F216-A218 PolarHBondContact O-N 3.1Å; F216-P219 HydrophobicContact CD2-CG 4.13Å; F216-P219 WeakPolarHBondContact O-CD 3.26Å; F216-P219 WeakPolarHBondContact O-CG 3.41Å; F216-F220 HydrophobicContact CD1-CB 3.82Å; F216-F220 HydrophobicContact CD1-CG 4.35Å; F216-F220 HydrophobicContact CE1-CB 3.57Å; F216-F220 AromaticContact CE1-CD2 3.58Å; F216-F220 HydrophobicContact CE1-CD2 3.58Å; F216-F220 HydrophobicContact CE1-CE2 4.49Å; F216-F220 AromaticContact CE1-CG 3.75Å; F216-F220 HydrophobicContact CE1-CG 3.75Å; F216-F220 HydrophobicContact CG-CB 4.46Å; F216-F220 HydrophobicContact CZ-CB 3.99Å; F216-F220 AromaticContact CZ-CD2 3.81Å; F216-F220 HydrophobicContact CZ-CD2 3.81Å; F216-F220 HydrophobicContact CZ-CG 4.27Å; F216-F220 WeakPolarHBondContact O-CB 3.39Å; F216-F220 PolarHBondContact O-N 3.36Å
217	R	81	Confident	81.8	Confident	162 Å²	162	55.3 Å²	55.3	61%	0.611	27%	0.271	S	S	*	.	H	α-helix	trans	-54.8	-38.4	177.7	-67.9	179.1	173.6	-170.6	-1.5	112.5	F214 W215 N221	F214-R217 WeakPolarHBondContact O-CB 3.36Å; F214-R217 WeakPolarHBondContact O-CG 3.19Å; F214-R217 PolarHBondContact O-N 2.94Å; W215-R217 VanDerWaalsContact C-N 3.29Å; W215-R217 PolarHBondContact O-N 3.29Å; R217-N221 WeakPolarHBondContact O-CB 3.11Å; R217-N221 VanDerWaalsContact O-CG 3.26Å; R217-N221 PolarHBondContact O-N 3.38Å; R217-N221 VanDerWaalsContact O-N 3.11Å; R217-N221 PolarHBondContact O-ND2 3.1Å
218	A	75.9	Confident	80.8	Confident	66 Å²	66	64.5 Å²	64.5	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-68.7	-58.7	179.1	0	0	0	0	0	113.5	F216 F220 N221 V222	F216-A218 PolarHBondContact O-N 3.1Å; A218-F220 VanDerWaalsContact C-N 3.3Å; A218-F220 PolarHBondContact O-N 3.11Å; A218-N221 PolarHBondContact O-N 3.07Å; A218-V222 PolarHBondContact O-N 2.83Å
219	P	77.8	Confident	79.5	Confident	20 Å²	20	71.1 Å²	71.1	13%	0.13	34%	0.335	C	S	.	.	H	α-helix	trans	-62.9	-34.3	176	24.9	-33.6	0	0	0	112.3	F184 Y186 W215 F216 N221 V222 L223	F184-P219 HydrophobicContact CD1-CG 4.48Å; F184-P219 HydrophobicContact CE1-CB 3.62Å; F184-P219 HydrophobicContact CE1-CG 3.78Å; F184-P219 HydrophobicContact CZ-CB 3.92Å; F184-P219 HydrophobicContact CZ-CG 4.15Å; Y186-P219 HydrophobicContact CD2-CB 4.17Å; W215-P219 WeakPolarHBondContact O-CD 3.4Å; F216-P219 HydrophobicContact CD2-CG 4.13Å; F216-P219 WeakPolarHBondContact O-CD 3.26Å; F216-P219 WeakPolarHBondContact O-CG 3.41Å; P219-N221 PolarHBondContact O-N 3.42Å; P219-V222 PolarHBondContact O-N 3.33Å; P219-V222 VanDerWaalsContact O-N 3.15Å; P219-L223 VanDerWaalsContact O-CG 3.32Å; P219-L223 WeakPolarHBondContact O-CG 3.42Å; P219-L223 PolarHBondContact O-N 2.89Å
220	F	81.6	Confident	78.3	Confident	36 Å²	36	79.1 Å²	79.1	16%	0.158	37%	0.369	C	S	.	.	H	α-helix	trans	-61.1	-44.8	175.9	-175.5	-113.2	0	0	0	112.7	I209 F216 A218 V222 L223 R224 I235	I209-F220 HydrophobicContact CD1-CD2 3.9Å; I209-F220 HydrophobicContact CD1-CE2 3.5Å; I209-F220 HydrophobicContact CD1-CZ 4.29Å; F216-F220 HydrophobicContact CD1-CB 3.82Å; F216-F220 HydrophobicContact CD1-CG 4.35Å; F216-F220 HydrophobicContact CE1-CB 3.57Å; F216-F220 AromaticContact CE1-CD2 3.58Å; F216-F220 HydrophobicContact CE1-CD2 3.58Å; F216-F220 HydrophobicContact CE1-CE2 4.49Å; F216-F220 AromaticContact CE1-CG 3.75Å; F216-F220 HydrophobicContact CE1-CG 3.75Å; F216-F220 HydrophobicContact CG-CB 4.46Å; F216-F220 HydrophobicContact CZ-CB 3.99Å; F216-F220 AromaticContact CZ-CD2 3.81Å; F216-F220 HydrophobicContact CZ-CD2 3.81Å; F216-F220 HydrophobicContact CZ-CG 4.27Å; F216-F220 WeakPolarHBondContact O-CB 3.39Å; F216-F220 PolarHBondContact O-N 3.36Å; A218-F220 VanDerWaalsContact C-N 3.3Å; A218-F220 PolarHBondContact O-N 3.11Å; F220-V222 PolarHBondContact O-N 2.89Å; F220-L223 PolarHBondContact O-N 2.96Å; F220-R224 WeakPolarHBondContact O-CB 3.26Å; F220-R224 PolarHBondContact O-N 3.38Å; F220-I235 HydrophobicContact CE2-CG2 3.88Å; F220-I235 HydrophobicContact CZ-CG2 3.86Å
221	N	78.4	Confident	77.2	Confident	97 Å²	97	80 Å²	80	52%	0.519	37%	0.374	S	S	.	.	H	α-helix	trans	-59.9	-36	175.1	-79.7	-24.5	0	0	0	112.1	R217 A218 P219	R217-N221 WeakPolarHBondContact O-CB 3.11Å; R217-N221 VanDerWaalsContact O-CG 3.26Å; R217-N221 PolarHBondContact O-N 3.38Å; R217-N221 VanDerWaalsContact O-N 3.11Å; R217-N221 PolarHBondContact O-ND2 3.1Å; A218-N221 PolarHBondContact O-N 3.07Å; P219-N221 PolarHBondContact O-N 3.42Å
222	V	74.2	Confident	76.5	Confident	48 Å²	48	79.4 Å²	79.4	29%	0.291	37%	0.368	S	S	.	.	H	α-helix	trans	-70.3	-47.2	174	179.7	0	0	0	0	111.4	Y186 A218 P219 F220 R224 L225 F226	Y186-V222 HydrophobicContact CE2-CG1 4.38Å; Y186-V222 VanDerWaalsContact OH-CG1 3.31Å; Y186-V222 WeakPolarHBondContact OH-CG1 3.23Å; A218-V222 PolarHBondContact O-N 2.83Å; P219-V222 PolarHBondContact O-N 3.33Å; P219-V222 VanDerWaalsContact O-N 3.15Å; F220-V222 PolarHBondContact O-N 2.89Å; V222-R224 VanDerWaalsContact C-N 3.26Å; V222-R224 PolarHBondContact O-N 3.24Å; V222-L225 VanDerWaalsContact O-CB 3.28Å; V222-L225 WeakPolarHBondContact O-CB 3.4Å; V222-L225 PolarHBondContact O-N 3.05Å; V222-F226 HydrophobicContact CG1-CE2 4.13Å; V222-F226 WeakPolarHBondContact O-CD2 3.48Å
223	L	72.4	Confident	76	Confident	7 Å²	7	82.6 Å²	82.6	4%	0.037	38%	0.383	C	S	.	.	H	α-helix	trans	-57	-40.5	176.2	-70.1	173.1	0	0	0	111.4	F184 Y186 C189 I190 L193 P219 F220 L225 F226 V227	F184-L223 HydrophobicContact CZ-CD1 4.48Å; Y186-L223 HydrophobicContact CD2-CD2 4.06Å; Y186-L223 HydrophobicContact CD2-CG 4.3Å; Y186-L223 HydrophobicContact CE2-CD2 3.63Å; Y186-L223 HydrophobicContact CE2-CG 3.9Å; C189-L223 HydrophobicContact CB-CD1 4.33Å; I190-L223 HydrophobicContact CD1-CD2 4.22Å; I190-L223 HydrophobicContact CG1-CD2 3.5Å; I190-L223 VanDerWaalsContact CG1-CD2 3.5Å; L193-L223 HydrophobicContact CD1-CB 4.22Å; L193-L223 HydrophobicContact CD1-CD1 4.13Å; L193-L223 HydrophobicContact CD1-CD2 4.15Å; L193-L223 HydrophobicContact CD1-CG 4.4Å; P219-L223 VanDerWaalsContact O-CG 3.32Å; P219-L223 WeakPolarHBondContact O-CG 3.42Å; P219-L223 PolarHBondContact O-N 2.89Å; F220-L223 PolarHBondContact O-N 2.96Å; L223-L225 PolarHBondContact O-N 2.69Å; L223-L225 VanDerWaalsContact O-N 3.14Å; L223-F226 PolarHBondContact O-N 2.73Å; L223-V227 PolarHBondContact O-N 3.08Å
224	R	75.3	Confident	75.8	Confident	120 Å²	120	86 Å²	86	45%	0.453	39%	0.391	S	S	.	.	H	α-helix	trans	-59.5	-23.9	177.8	-161.2	174.7	-171.5	-160.1	2.4	113	F220 V222 F226 V227 R232	F220-R224 WeakPolarHBondContact O-CB 3.26Å; F220-R224 PolarHBondContact O-N 3.38Å; V222-R224 VanDerWaalsContact C-N 3.26Å; V222-R224 PolarHBondContact O-N 3.24Å; R224-F226 VanDerWaalsContact C-N 3.34Å; R224-V227 PolarHBondContact O-N 3.43Å; R224-R232 HydrophobicContact CG-CG 4.23Å; R224-R232 PolarHBondContact O-NE 3.35Å; R224-R232 VanDerWaalsContact O-NE 3.09Å; R224-R232 PolarHBondContact O-NH2 3.4Å
225	L	72.2	Confident	75.9	Confident	125 Å²	125	79.4 Å²	79.4	65%	0.654	36%	0.363	S	S	*	.	H	α-helix	trans	-67.3	-32.8	172.6	-57.9	177.5	0	0	0	112.6	V222 L223	V222-L225 VanDerWaalsContact O-CB 3.28Å; V222-L225 WeakPolarHBondContact O-CB 3.4Å; V222-L225 PolarHBondContact O-N 3.05Å; L223-L225 PolarHBondContact O-N 2.69Å; L223-L225 VanDerWaalsContact O-N 3.14Å
226	F	64	Low	76.2	Confident	55 Å²	55	80.5 Å²	80.5	24%	0.241	37%	0.368	C	S	.	.	H	α-helix	trans	-84.8	-12.6	178.3	-59.3	-82.9	0	0	0	113.4	K197 V222 L223 R224 L434	K197-F226 PolarHBondContact NZ-O 3.22Å; V222-F226 HydrophobicContact CG1-CE2 4.13Å; V222-F226 WeakPolarHBondContact O-CD2 3.48Å; L223-F226 PolarHBondContact O-N 2.73Å; R224-F226 VanDerWaalsContact C-N 3.34Å; F226-L434 HydrophobicContact CD1-CD2 4.26Å; F226-L434 HydrophobicContact CE1-CD2 4.13Å; F226-L434 HydrophobicContact CE1-CG 4.17Å
227	V	65.7	Low	76.3	Confident	8 Å²	8	83 Å²	83	5%	0.048	39%	0.386	C	S	.	.	S	Bend	trans	-84.9	120	175.6	178.5	0	0	0	0	109.9	L223 R224 M231 R232 I235	L223-V227 PolarHBondContact O-N 3.08Å; R224-V227 PolarHBondContact O-N 3.43Å; V227-M231 HydrophobicContact CG1-CB 3.88Å; V227-M231 HydrophobicContact CG1-CE 3.98Å; V227-M231 HydrophobicContact CG1-CG 4.32Å; V227-M231 HydrophobicContact CG1-SD 3.82Å; V227-R232 HydrophobicContact CB-CG 4.14Å; V227-R232 HydrophobicContact CG1-CB 4.41Å; V227-R232 HydrophobicContact CG1-CG 3.59Å; V227-R232 PolarHBondContact O-NE 2.98Å; V227-I235 HydrophobicContact CG1-CD1 3.84Å; V227-I235 HydrophobicContact CG2-CD1 3.98Å
228	R	68.1	Low	76.8	Confident	203 Å²	203	75.8 Å²	75.8	77%	0.766	36%	0.36	S	S	*	.			trans	-61.3	143.1	171.3	-78.8	-176.8	172.6	172.9	-3.8	110.1	K230 M231 R232	R228-K230 PolarHBondContact O-N 3.25Å; R228-M231 WeakPolarHBondContact O-CB 3.15Å; R228-M231 PolarHBondContact O-N 2.91Å; R228-R232 PolarHBondContact O-N 2.78Å
229	E	65.7	Low	77.5	Confident	140 Å²	140	73.8 Å²	73.8	65%	0.654	35%	0.346	S	S	*	.	H	α-helix	trans	-44.1	-56.9	-175.4	-163.3	155.7	-120.2	0	0	113.9	M231 R232 D233	E229-M231 PolarHBondContact O-N 3.47Å; E229-R232 WeakPolarHBondContact O-CA 3.47Å; E229-R232 VanDerWaalsContact O-CB 3.3Å; E229-R232 WeakPolarHBondContact O-CB 3.23Å; E229-R232 PolarHBondContact O-N 3.07Å; E229-D233 PolarHBondContact O-N 3.4Å
230	K	68	Low	77.9	Confident	177 Å²	177	76.8 Å²	76.8	77%	0.77	36%	0.356	S	S	*	.	H	α-helix	trans	-56.5	-5	176.7	-62.8	-172.3	176.2	-175.4	0	117	R228 D233 R234	R228-K230 PolarHBondContact O-N 3.25Å; K230-D233 WeakPolarHBondContact CA-OD2 3.46Å; K230-R234 PolarHBondContact O-NE 2.91Å
231	M	71.5	Confident	78.2	Confident	20 Å²	20	81.4 Å²	81.4	10%	0.099	38%	0.382	C	S	.	.	H	α-helix	trans	-112	-22.7	172.5	-162.9	-137.9	-47.9	0	0	112.2	K197 L204 V227 R228 E229 D233 R234 I235	K197-M231 HydrophobicContact CB-CE 3.49Å; K197-M231 VanDerWaalsContact CB-CE 3.49Å; K197-M231 HydrophobicContact CD-CE 3.89Å; K197-M231 HydrophobicContact CG-CE 3.45Å; K197-M231 VanDerWaalsContact CG-CE 3.45Å; L204-M231 HydrophobicContact CD2-CG 4.39Å; V227-M231 HydrophobicContact CG1-CB 3.88Å; V227-M231 HydrophobicContact CG1-CE 3.98Å; V227-M231 HydrophobicContact CG1-CG 4.32Å; V227-M231 HydrophobicContact CG1-SD 3.82Å; R228-M231 WeakPolarHBondContact O-CB 3.15Å; R228-M231 PolarHBondContact O-N 2.91Å; E229-M231 PolarHBondContact O-N 3.47Å; M231-D233 PolarHBondContact O-N 2.91Å; M231-R234 WeakPolarHBondContact O-CB 3.28Å; M231-R234 PolarHBondContact O-N 3.5Å; M231-I235 PolarHBondContact O-N 3.46Å; M231-I235 HydrophobicContact SD-CD1 4.31Å
232	R	76.4	Confident	78.7	Confident	73 Å²	73	82 Å²	82	28%	0.275	38%	0.382	S	S	.	.	H	α-helix	trans	-58.1	-39.1	169.4	-60	-179.2	176.8	174.7	-7	110.1	R224 V227 R228 E229 R234 I235	R224-R232 HydrophobicContact CG-CG 4.23Å; R224-R232 PolarHBondContact O-NE 3.35Å; R224-R232 VanDerWaalsContact O-NE 3.09Å; R224-R232 PolarHBondContact O-NH2 3.4Å; V227-R232 HydrophobicContact CB-CG 4.14Å; V227-R232 HydrophobicContact CG1-CB 4.41Å; V227-R232 HydrophobicContact CG1-CG 3.59Å; V227-R232 PolarHBondContact O-NE 2.98Å; R228-R232 PolarHBondContact O-N 2.78Å; E229-R232 WeakPolarHBondContact O-CA 3.47Å; E229-R232 VanDerWaalsContact O-CB 3.3Å; E229-R232 WeakPolarHBondContact O-CB 3.23Å; E229-R232 PolarHBondContact O-N 3.07Å; R232-R234 PolarHBondContact O-N 3.34Å; R232-I235 PolarHBondContact O-N 2.97Å
233	D	81.3	Confident	79.4	Confident	106 Å²	106	79.7 Å²	79.7	57%	0.567	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-3	176	-37.6	-37	0	0	0	113.8	E229 K230 M231 Y236	E229-D233 PolarHBondContact O-N 3.4Å; K230-D233 WeakPolarHBondContact CA-OD2 3.46Å; M231-D233 PolarHBondContact O-N 2.91Å; D233-Y236 PolarHBondContact O-OH 3.48Å
234	R	85.5	Confident	80.1	Confident	104 Å²	104	83.7 Å²	83.7	39%	0.392	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-5.8	175.8	-55.4	-174.2	-164.7	-158.7	-4.1	113.1	L204 K206 V207 K230 M231 R232 Y236	L204-R234 PolarHBondContact O-NH1 3.5Å; K206-R234 CarbonylContact C-O 3.57Å; V207-R234 PolarHBondContact N-O 3.33Å; K230-R234 PolarHBondContact O-NE 2.91Å; M231-R234 WeakPolarHBondContact O-CB 3.28Å; M231-R234 PolarHBondContact O-N 3.5Å; R232-R234 PolarHBondContact O-N 3.34Å; R234-Y236 WeakPolarHBondContact O-CD2 3.23Å; R234-Y236 WeakPolarHBondContact O-CE2 3.5Å
235	I	87.5	Confident	80.8	Confident	25 Å²	25	83.5 Å²	83.5	13%	0.128	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.9	179.8	-57.8	170.1	0	0	0	108.3	V207 I209 F220 V227 M231 R232	V207-I235 HydrophobicContact CB-CG1 4.1Å; V207-I235 HydrophobicContact CG2-CG1 4.44Å; V207-I235 WeakPolarHBondContact O-CA 3.27Å; I209-I235 HydrophobicContact CD1-CG2 4.05Å; I209-I235 HydrophobicContact CG1-CG2 4.5Å; F220-I235 HydrophobicContact CE2-CG2 3.88Å; F220-I235 HydrophobicContact CZ-CG2 3.86Å; V227-I235 HydrophobicContact CG1-CD1 3.84Å; V227-I235 HydrophobicContact CG2-CD1 3.98Å; M231-I235 PolarHBondContact O-N 3.46Å; M231-I235 HydrophobicContact SD-CD1 4.31Å; R232-I235 PolarHBondContact O-N 2.97Å
236	Y	89.7	Confident	81.4	Confident	92 Å²	92	79.2 Å²	79.2	36%	0.361	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	145.7	178.4	-58.9	-92.3	0	0	0	109.3	K206 V207 I209 D233 R234 H246	K206-Y236 HydrophobicContact CB-CD2 4.36Å; K206-Y236 HydrophobicContact CB-CE2 4.31Å; K206-Y236 HydrophobicContact CD-CE2 4.3Å; K206-Y236 HydrophobicContact CG-CE2 4.09Å; V207-Y236 PolarHBondContact O-N 3.45Å; I209-Y236 PolarHBondContact N-O 2.94Å; D233-Y236 PolarHBondContact O-OH 3.48Å; R234-Y236 WeakPolarHBondContact O-CD2 3.23Å; R234-Y236 WeakPolarHBondContact O-CE2 3.5Å; Y236-H246 AromaticContact CD1-CE1 3.73Å; Y236-H246 AromaticContact CG-CE1 3.74Å
237	S	90	Very high	82.5	Confident	58 Å²	58	76.8 Å²	76.8	41%	0.406	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.9	168.1	-73	0	0	0	0	106.7	I209	I209-S237 WeakPolarHBondContact O-CA 3.17Å
238	V	91.7	Very high	83.4	Confident	11 Å²	11	78 Å²	78	7%	0.067	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.5	-169.7	-59.1	0	0	0	0	111.3	I208 I209 I210 E211 E242 L243	I208-V238 HydrophobicContact CG2-CG1 4.32Å; I208-V238 HydrophobicContact CG2-CG2 3.43Å; I208-V238 VanDerWaalsContact CG2-CG2 3.43Å; I209-V238 PolarHBondContact O-N 3.02Å; I210-V238 HydrophobicContact CG1-CG2 4.48Å; E211-V238 PolarHBondContact N-O 3.3Å; V238-E242 VanDerWaalsContact CA-OE2 3.26Å; V238-E242 WeakPolarHBondContact CA-OE2 3.25Å; V238-E242 HydrophobicContact CB-CB 4.12Å; V238-L243 HydrophobicContact CG2-CD1 4.12Å
239	G	90.7	Very high	84	Confident	25 Å²	25	73.5 Å²	73.5	26%	0.258	37%	0.366	S	S	.	.			trans	-68.9	164.5	161.1	0	0	0	0	0	111.5	D241 E242	G239-D241 VanDerWaalsContact C-N 3.31Å; G239-D241 PolarHBondContact O-N 2.93Å; G239-E242 PolarHBondContact N-OE2 3.05Å; G239-E242 PolarHBondContact O-N 2.92Å
240	Y	86.6	Confident	84.7	Confident	83 Å²	83	69.8 Å²	69.8	33%	0.325	36%	0.356	S	S	.	.	S	Bend	trans	-61.6	-41	175.3	-177.9	-101.9	0	0	0	111.9	I210 E211 E242 L243 F256	I210-Y240 HydrophobicContact CG2-CD2 4.4Å; E211-Y240 WeakPolarHBondContact OE1-CB 3.31Å; E211-Y240 PolarHBondContact OE1-N 2.81Å; Y240-E242 VanDerWaalsContact C-N 3.26Å; Y240-E242 PolarHBondContact O-N 3.36Å; Y240-L243 VanDerWaalsContact O-CB 3.22Å; Y240-L243 WeakPolarHBondContact O-CB 3.17Å; Y240-L243 PolarHBondContact O-N 3.03Å; Y240-L243 VanDerWaalsContact O-N 3.17Å; Y240-F256 AromaticContact CE2-CD2 3.71Å; Y240-F256 HydrophobicContact CE2-CD2 3.71Å; Y240-F256 AromaticContact CE2-CE2 3.89Å; Y240-F256 HydrophobicContact CE2-CE2 3.89Å; Y240-F256 HydrophobicContact CE2-CG 4.09Å; Y240-F256 HydrophobicContact CE2-CZ 4.41Å
241	D	87.6	Confident	85.4	Confident	133 Å²	133	61.5 Å²	61.5	71%	0.711	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.2	-178.8	-58.4	-37	0	0	0	113.9	G239 L243 N244	G239-D241 VanDerWaalsContact C-N 3.31Å; G239-D241 PolarHBondContact O-N 2.93Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-N244 PolarHBondContact O-ND2 3.22Å; D241-N244 VanDerWaalsContact O-ND2 3.16Å; D241-N244 PolarHBondContact O-OD1 3.14Å
242	E	89.1	Confident	85.9	Confident	109 Å²	109	61.6 Å²	61.6	51%	0.509	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.5	178.8	-62.6	178.7	140.1	0	0	112.7	V238 G239 Y240 N244 V245	V238-E242 VanDerWaalsContact CA-OE2 3.26Å; V238-E242 WeakPolarHBondContact CA-OE2 3.25Å; V238-E242 HydrophobicContact CB-CB 4.12Å; G239-E242 PolarHBondContact N-OE2 3.05Å; G239-E242 PolarHBondContact O-N 2.92Å; Y240-E242 VanDerWaalsContact C-N 3.26Å; Y240-E242 PolarHBondContact O-N 3.36Å; E242-N244 PolarHBondContact O-N 3.47Å; E242-V245 WeakPolarHBondContact O-CB 3.24Å; E242-V245 PolarHBondContact O-N 3.25Å; E242-V245 VanDerWaalsContact O-N 3.11Å
243	L	88.1	Confident	86.1	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-68.9	-21.8	-171.3	-167.6	62.8	0	0	0	112.9	I208 I210 V238 Y240 D241 V245 H246 L247 L252 F256	I208-L243 HydrophobicContact CD1-CD1 4.31Å; I208-L243 HydrophobicContact CG2-CD1 3.78Å; I210-L243 HydrophobicContact CD1-CD1 4.28Å; I210-L243 HydrophobicContact CD1-CD2 3.66Å; I210-L243 HydrophobicContact CG1-CD1 4.12Å; I210-L243 HydrophobicContact CG1-CD2 4.13Å; V238-L243 HydrophobicContact CG2-CD1 4.12Å; Y240-L243 VanDerWaalsContact O-CB 3.22Å; Y240-L243 WeakPolarHBondContact O-CB 3.17Å; Y240-L243 PolarHBondContact O-N 3.03Å; Y240-L243 VanDerWaalsContact O-N 3.17Å; D241-L243 VanDerWaalsContact C-N 3.34Å; L243-V245 PolarHBondContact O-N 2.83Å; L243-H246 HydrophobicContact CD1-CB 4.47Å; L243-H246 WeakPolarHBondContact O-CA 3.15Å; L243-H246 PolarHBondContact O-N 3.05Å; L243-L247 HydrophobicContact CD1-CD1 4.09Å; L243-L247 HydrophobicContact CD2-CD1 4.23Å; L243-L247 HydrophobicContact CG-CD1 4Å; L243-L247 PolarHBondContact O-N 3.18Å; L243-L252 HydrophobicContact CB-CD2 4.4Å; L243-L252 HydrophobicContact CD2-CD2 3.68Å; L243-L252 HydrophobicContact CG-CD2 3.85Å; L243-F256 HydrophobicContact CD2-CE2 3.72Å; L243-F256 HydrophobicContact CD2-CZ 4.17Å
244	N	88	Confident	86	Confident	90 Å²	90	63 Å²	63	48%	0.481	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-65	-22.1	172.7	59.4	17.7	0	0	0	113.8	D241 E242 H246 L252	D241-N244 PolarHBondContact O-ND2 3.22Å; D241-N244 VanDerWaalsContact O-ND2 3.16Å; D241-N244 PolarHBondContact O-OD1 3.14Å; E242-N244 PolarHBondContact O-N 3.47Å; N244-H246 PolarHBondContact O-N 3.45Å; N244-L252 HydrophobicContact CB-CD1 3.96Å
245	V	88.5	Confident	85.6	Confident	116 Å²	116	58.8 Å²	58.8	70%	0.703	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-73.7	-15.4	171.4	-171.9	0	0	0	0	111	E242 L243	E242-V245 WeakPolarHBondContact O-CB 3.24Å; E242-V245 PolarHBondContact O-N 3.25Å; E242-V245 VanDerWaalsContact O-N 3.11Å; L243-V245 PolarHBondContact O-N 2.83Å
246	H	86.4	Confident	85.2	Confident	35 Å²	35	59.7 Å²	59.7	16%	0.162	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-25.4	-175.7	-70.4	-111.1	0	0	0	114.7	I208 Y236 L243 N244	I208-H246 HydrophobicContact CD1-CB 3.54Å; Y236-H246 AromaticContact CD1-CE1 3.73Å; Y236-H246 AromaticContact CG-CE1 3.74Å; L243-H246 HydrophobicContact CD1-CB 4.47Å; L243-H246 WeakPolarHBondContact O-CA 3.15Å; L243-H246 PolarHBondContact O-N 3.05Å; N244-H246 PolarHBondContact O-N 3.45Å
247	L	86.2	Confident	84	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	31%	0.307	C	S	.	.	S	Bend	trans	-138.4	137.3	-175.5	-64.2	175.6	0	0	0	110.9	M126 V130 M171 L173 L243 L252 L255	M126-L247 HydrophobicContact CE-CD2 4.05Å; M126-L247 HydrophobicContact SD-CD2 3.67Å; V130-L247 HydrophobicContact CG2-CD2 4.17Å; M171-L247 HydrophobicContact CE-CD2 4.1Å; M171-L247 HydrophobicContact SD-CD2 3.67Å; L173-L247 HydrophobicContact CD1-CD1 3.78Å; L173-L247 HydrophobicContact CD2-CD1 4.11Å; L243-L247 HydrophobicContact CD1-CD1 4.09Å; L243-L247 HydrophobicContact CD2-CD1 4.23Å; L243-L247 HydrophobicContact CG-CD1 4Å; L243-L247 PolarHBondContact O-N 3.18Å; L247-L252 HydrophobicContact CB-CD2 4.02Å; L247-L252 HydrophobicContact CB-CG 4.22Å; L247-L252 HydrophobicContact CD1-CD2 3.96Å; L247-L255 HydrophobicContact CD1-CD1 3.72Å
248	P	84.6	Confident	82.1	Confident	33 Å²	33	63.5 Å²	63.5	21%	0.214	33%	0.333	C	S	.	.			trans	-58.3	149.6	172.9	-25.9	35.9	0	0	0	113.4	M126 S250 T251 L252	M126-P248 HydrophobicContact CE-CG 4.46Å; M126-P248 HydrophobicContact CG-CG 4.15Å; M126-P248 HydrophobicContact SD-CG 4.45Å; P248-S250 PolarHBondContact O-N 3.24Å; P248-S250 VanDerWaalsContact O-N 3.15Å; P248-T251 WeakPolarHBondContact O-CB 3.21Å; P248-T251 PolarHBondContact O-N 2.76Å; P248-L252 PolarHBondContact O-N 3.07Å
249	N	81.1	Confident	79.9	Confident	110 Å²	110	68.7 Å²	68.7	59%	0.588	36%	0.359	S	S	*	.	H	α-helix	trans	-60.6	-25.2	179	-73.2	-43.9	0	0	0	113.5	K253	N249-K253 WeakPolarHBondContact O-CB 3.36Å; N249-K253 VanDerWaalsContact O-CG 3.28Å; N249-K253 WeakPolarHBondContact O-CG 3.35Å; N249-K253 PolarHBondContact O-N 3.32Å
250	S	80.4	Confident	78.3	Confident	62 Å²	62	70.8 Å²	70.8	43%	0.434	37%	0.368	S	S	.	.	H	α-helix	trans	-65	-47.7	170.3	48.3	0	0	0	0	111.7	P248 K253 R254	P248-S250 PolarHBondContact O-N 3.24Å; P248-S250 VanDerWaalsContact O-N 3.15Å; S250-K253 PolarHBondContact O-N 3.34Å; S250-R254 WeakPolarHBondContact O-CG 3.19Å; S250-R254 PolarHBondContact O-N 3.47Å
251	T	83.3	Confident	76.9	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.012	36%	0.36	C	S	.	.	H	α-helix	trans	-63.7	-40.3	175.6	-42.7	0	0	0	0	111.6	L118 M126 V130 P248 R254 L255	L118-T251 HydrophobicContact CD1-CG2 4.21Å; M126-T251 WeakPolarHBondContact CG-OG1 3.22Å; M126-T251 HydrophobicContact SD-CG2 4.03Å; V130-T251 HydrophobicContact CG2-CG2 4.26Å; P248-T251 WeakPolarHBondContact O-CB 3.21Å; P248-T251 PolarHBondContact O-N 2.76Å; T251-R254 WeakPolarHBondContact O-CB 3.27Å; T251-R254 PolarHBondContact O-N 3.46Å; T251-L255 HydrophobicContact CG2-CD1 4.23Å; T251-L255 WeakPolarHBondContact O-CG 3.41Å; T251-L255 PolarHBondContact O-N 3.43Å
252	L	82.4	Confident	75.9	Confident	23 Å²	23	65.9 Å²	65.9	12%	0.12	35%	0.347	C	S	.	.	H	α-helix	trans	-62.7	-43	174.5	-66.6	179	0	0	0	112.6	L243 N244 L247 P248 R254 L255 F256	L243-L252 HydrophobicContact CB-CD2 4.4Å; L243-L252 HydrophobicContact CD2-CD2 3.68Å; L243-L252 HydrophobicContact CG-CD2 3.85Å; N244-L252 HydrophobicContact CB-CD1 3.96Å; L247-L252 HydrophobicContact CB-CD2 4.02Å; L247-L252 HydrophobicContact CB-CG 4.22Å; L247-L252 HydrophobicContact CD1-CD2 3.96Å; P248-L252 PolarHBondContact O-N 3.07Å; L252-R254 VanDerWaalsContact C-N 3.28Å; L252-R254 PolarHBondContact O-N 3.46Å; L252-L255 PolarHBondContact O-N 3.18Å; L252-F256 HydrophobicContact CD2-CD2 4.23Å; L252-F256 HydrophobicContact CD2-CE2 3.96Å; L252-F256 PolarHBondContact O-N 2.8Å
253	K	79.6	Confident	75.2	Confident	163 Å²	163	63.2 Å²	63.2	71%	0.709	33%	0.334	S	S	*	.	H	α-helix	trans	-62.5	-32.4	174	-77.3	174.4	178.8	-176.8	0	112.8	N249 S250 G257	N249-K253 WeakPolarHBondContact O-CB 3.36Å; N249-K253 VanDerWaalsContact O-CG 3.28Å; N249-K253 WeakPolarHBondContact O-CG 3.35Å; N249-K253 PolarHBondContact O-N 3.32Å; S250-K253 PolarHBondContact O-N 3.34Å; K253-G257 VanDerWaalsContact O-CA 3.22Å; K253-G257 WeakPolarHBondContact O-CA 3.32Å; K253-G257 PolarHBondContact O-N 3.44Å
254	R	79.5	Confident	75.2	Confident	44 Å²	44	63.4 Å²	63.4	17%	0.166	34%	0.335	C	S	.	.	H	α-helix	trans	-69.9	-52	172.6	-70.3	166	63.3	-166.2	2.2	111.2	L118 P119 D124 S250 T251 L252 F256 Q263	L118-R254 HydrophobicContact CD1-CB 4.19Å; P119-R254 PolarHBondContact O-NH2 3.33Å; D124-R254 IonicContact OD1-NH1 3.38Å; D124-R254 PolarHBondContact OD1-NH1 3Å; D124-R254 IonicContact OD2-CZ 2.77Å; D124-R254 IonicContact OD2-NH1 3.77Å; D124-R254 PolarHBondContact OD2-NH1 2.93Å; S250-R254 WeakPolarHBondContact O-CG 3.19Å; S250-R254 PolarHBondContact O-N 3.47Å; T251-R254 WeakPolarHBondContact O-CB 3.27Å; T251-R254 PolarHBondContact O-N 3.46Å; L252-R254 VanDerWaalsContact C-N 3.28Å; L252-R254 PolarHBondContact O-N 3.46Å; R254-F256 PolarHBondContact O-N 2.91Å; R254-Q263 PolarHBondContact O-NE2 3.24Å; R254-Q263 PolarHBondContact O-OE1 2.82Å
255	L	77.6	Confident	75.1	Confident	16 Å²	16	59.9 Å²	59.9	8%	0.084	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-37.3	-178.6	-73.2	168.7	0	0	0	114.4	L118 V130 I132 L173 L247 T251 L252 T260	L118-L255 HydrophobicContact CD1-CD2 3.55Å; L118-L255 HydrophobicContact CD1-CG 3.73Å; L118-L255 HydrophobicContact CG-CD2 3.97Å; V130-L255 HydrophobicContact CG1-CD2 4.38Å; I132-L255 HydrophobicContact CB-CD2 4.34Å; I132-L255 HydrophobicContact CD1-CD2 4.24Å; I132-L255 HydrophobicContact CG2-CD2 4.16Å; L173-L255 HydrophobicContact CD1-CD1 3.51Å; L173-L255 HydrophobicContact CD1-CD2 4.22Å; L247-L255 HydrophobicContact CD1-CD1 3.72Å; T251-L255 HydrophobicContact CG2-CD1 4.23Å; T251-L255 WeakPolarHBondContact O-CG 3.41Å; T251-L255 PolarHBondContact O-N 3.43Å; L252-L255 PolarHBondContact O-N 3.18Å; L255-T260 WeakPolarHBondContact O-CG2 3.31Å
256	F	77.5	Confident	75	Confident	44 Å²	44	57.6 Å²	57.6	19%	0.193	30%	0.299	C	S	.	.	H	α-helix	trans	-130.7	4.4	-167.3	-50.8	-58.4	0	0	0	114.7	I132 R177 I210 Y240 L243 L252 R254	I132-F256 HydrophobicContact CD1-CE1 3.94Å; I132-F256 HydrophobicContact CD1-CZ 4.16Å; R177-F256 VanDerWaalsContact NH2-CD1 3.28Å; I210-F256 HydrophobicContact CD1-CZ 4.18Å; Y240-F256 AromaticContact CE2-CD2 3.71Å; Y240-F256 HydrophobicContact CE2-CD2 3.71Å; Y240-F256 AromaticContact CE2-CE2 3.89Å; Y240-F256 HydrophobicContact CE2-CE2 3.89Å; Y240-F256 HydrophobicContact CE2-CG 4.09Å; Y240-F256 HydrophobicContact CE2-CZ 4.41Å; L243-F256 HydrophobicContact CD2-CE2 3.72Å; L243-F256 HydrophobicContact CD2-CZ 4.17Å; L252-F256 HydrophobicContact CD2-CD2 4.23Å; L252-F256 HydrophobicContact CD2-CE2 3.96Å; L252-F256 PolarHBondContact O-N 2.8Å; R254-F256 PolarHBondContact O-N 2.91Å
257	G	64.9	Low	75.2	Confident	27 Å²	27	56.2 Å²	56.2	28%	0.278	29%	0.293	S	S	.	.	S	Bend	trans	-71.2	162.9	171.8	0	0	0	0	0	112.6	K253 L259 T260	K253-G257 VanDerWaalsContact O-CA 3.22Å; K253-G257 WeakPolarHBondContact O-CA 3.32Å; K253-G257 PolarHBondContact O-N 3.44Å; G257-L259 PolarHBondContact O-N 3.22Å; G257-T260 WeakPolarHBondContact O-CG2 3.31Å; G257-T260 PolarHBondContact O-N 3.24Å
258	Q	49.9	Very low	75.5	Confident	204 Å²	204	56 Å²	56	95%	0.953	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	9.9	-168.8	-64.8	177	-14.8	0	0	116.3
259	L	47	Very low	75.8	Confident	119 Å²	119	56.5 Å²	56.5	62%	0.623	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	23.8	178.5	-65.4	170	0	0	0	112.4	G257 L261 N262 Q263	G257-L259 PolarHBondContact O-N 3.22Å; L259-L261 PolarHBondContact O-N 3.35Å; L259-L261 VanDerWaalsContact O-N 3.09Å; L259-N262 PolarHBondContact O-N 3.48Å; L259-Q263 PolarHBondContact O-NE2 3.13Å
260	T	56.5	Low	76.3	Confident	70 Å²	70	54 Å²	54	43%	0.429	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.1	-173.7	48.5	0	0	0	0	115.4	L255 G257	L255-T260 WeakPolarHBondContact O-CG2 3.31Å; G257-T260 WeakPolarHBondContact O-CG2 3.31Å; G257-T260 PolarHBondContact O-N 3.24Å
261	L	57.8	Low	76.9	Confident	31 Å²	31	51 Å²	51	16%	0.162	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-40.6	-175.5	-159.7	72.8	0	0	0	113.5	L259 Q263 H264 F265 I314	L259-L261 PolarHBondContact O-N 3.35Å; L259-L261 VanDerWaalsContact O-N 3.09Å; L261-Q263 VanDerWaalsContact C-N 3.35Å; L261-Q263 PolarHBondContact O-N 3.41Å; L261-H264 WeakPolarHBondContact O-CB 3.48Å; L261-H264 PolarHBondContact O-N 3.03Å; L261-H264 VanDerWaalsContact O-N 3.14Å; L261-F265 HydrophobicContact CD1-CE2 4.32Å; L261-F265 HydrophobicContact CD2-CE2 3.89Å; L261-F265 HydrophobicContact CG-CD2 4.28Å; L261-F265 HydrophobicContact CG-CE2 3.68Å; L261-F265 HydrophobicContact CG-CZ 4.42Å; L261-F265 WeakPolarHBondContact O-CD2 3.07Å; L261-F265 PolarHBondContact O-N 3.43Å; L261-I314 HydrophobicContact CD2-CB 3.8Å; L261-I314 HydrophobicContact CD2-CG2 3.57Å; L261-I314 VanDerWaalsContact CD2-O 3.25Å; L261-I314 WeakPolarHBondContact CD2-O 3.3Å
262	N	65.9	Low	77.4	Confident	82 Å²	82	51 Å²	51	44%	0.439	26%	0.258	S	S	.	.	H	α-helix	trans	-61.8	-45.4	-179.4	-66.5	7.6	0	0	0	110.6	L259 H264 F265 D266	L259-N262 PolarHBondContact O-N 3.48Å; N262-H264 PolarHBondContact O-N 2.72Å; N262-F265 PolarHBondContact O-N 2.88Å; N262-D266 VanDerWaalsContact O-CG 3.29Å; N262-D266 PolarHBondContact O-N 3.29Å; N262-D266 VanDerWaalsContact O-OD2 3.08Å
263	Q	75.1	Confident	77.9	Confident	53 Å²	53	55.8 Å²	55.8	25%	0.248	28%	0.278	C	S	.	.	H	α-helix	trans	-52.6	-32.5	176.1	-70.2	178.2	69.4	0	0	113.5	R254 L259 L261 W267	R254-Q263 PolarHBondContact O-NE2 3.24Å; R254-Q263 PolarHBondContact O-OE1 2.82Å; L259-Q263 PolarHBondContact O-NE2 3.13Å; L261-Q263 VanDerWaalsContact C-N 3.35Å; L261-Q263 PolarHBondContact O-N 3.41Å; Q263-W267 VanDerWaalsContact O-CB 3.23Å; Q263-W267 WeakPolarHBondContact O-CB 3.32Å; Q263-W267 PolarHBondContact O-N 3.45Å
264	H	86.4	Confident	78.4	Confident	3 Å²	3	52.6 Å²	52.6	1%	0.014	26%	0.261	C	S	.	.	H	α-helix	trans	-74	-42.7	176.6	179.2	66.3	0	0	0	112	L110 F115 T116 L261 N262 W267 L268	L110-H264 PolarHBondContact O-NE2 2.92Å; F115-H264 PolarHBondContact O-CE1 3.15Å; F115-H264 VanDerWaalsContact O-CE1 3.25Å; T116-H264 HydrophobicContact CG2-CB 4.11Å; T116-H264 WeakPolarHBondContact CG2-ND1 3.4Å; T116-H264 PolarHBondContact OG1-ND1 3.24Å; L261-H264 WeakPolarHBondContact O-CB 3.48Å; L261-H264 PolarHBondContact O-N 3.03Å; L261-H264 VanDerWaalsContact O-N 3.14Å; N262-H264 PolarHBondContact O-N 2.72Å; H264-W267 WeakPolarHBondContact O-CB 3.3Å; H264-W267 PolarHBondContact O-N 3.1Å; H264-L268 WeakPolarHBondContact O-CG 3.35Å; H264-L268 PolarHBondContact O-N 2.85Å
265	F	87.4	Confident	79	Confident	16 Å²	16	52.4 Å²	52.4	7%	0.07	27%	0.265	C	S	.	.	H	α-helix	trans	-70	-37.3	176.1	-64	-52.8	0	0	0	112.5	L111 L261 N262 W267 L268 L269 F286 V315	L111-F265 HydrophobicContact CD2-CD1 4.5Å; L111-F265 HydrophobicContact CD2-CE1 3.9Å; L261-F265 HydrophobicContact CD1-CE2 4.32Å; L261-F265 HydrophobicContact CD2-CE2 3.89Å; L261-F265 HydrophobicContact CG-CD2 4.28Å; L261-F265 HydrophobicContact CG-CE2 3.68Å; L261-F265 HydrophobicContact CG-CZ 4.42Å; L261-F265 WeakPolarHBondContact O-CD2 3.07Å; L261-F265 PolarHBondContact O-N 3.43Å; N262-F265 PolarHBondContact O-N 2.88Å; F265-W267 VanDerWaalsContact C-N 3.3Å; F265-W267 PolarHBondContact O-N 2.75Å; F265-L268 HydrophobicContact CD1-CD1 4.23Å; F265-L268 PolarHBondContact O-N 3.23Å; F265-L269 WeakPolarHBondContact O-CB 3.37Å; F265-L269 PolarHBondContact O-N 3.35Å; F265-F286 HydrophobicContact CB-CE1 4.47Å; F265-F286 AromaticContact CD1-CD1 3.58Å; F265-F286 HydrophobicContact CD1-CD1 3.58Å; F265-F286 AromaticContact CD1-CE1 3.77Å; F265-F286 HydrophobicContact CD1-CE1 3.77Å; F265-F286 HydrophobicContact CE1-CD1 4.05Å; F265-F286 HydrophobicContact CG-CD1 4.3Å; F265-F286 HydrophobicContact CG-CE1 4.49Å; F265-V315 HydrophobicContact CE1-CG2 4.5Å; F265-V315 HydrophobicContact CE2-CG2 3.89Å; F265-V315 HydrophobicContact CZ-CG2 3.59Å
266	D	85	Confident	79.7	Confident	69 Å²	69	53.9 Å²	53.9	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-41.9	170.8	-64.8	-40.8	0	0	0	111.2	N262 L269 N270	N262-D266 VanDerWaalsContact O-CG 3.29Å; N262-D266 PolarHBondContact O-N 3.29Å; N262-D266 VanDerWaalsContact O-OD2 3.08Å; D266-L269 PolarHBondContact O-N 3.16Å; D266-N270 PolarHBondContact O-N 2.78Å
267	W	91.1	Very high	80.4	Confident	5 Å²	5	53.3 Å²	53.3	2%	0.019	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-44.1	174.3	170.9	-114.8	0	0	0	112.6	V117 P119 Q155 V159 Q263 H264 F265 L269 N270 C271	V117-W267 HydrophobicContact CB-CD2 4.49Å; V117-W267 HydrophobicContact CB-CZ2 3.82Å; V117-W267 HydrophobicContact CG1-CZ2 4.44Å; V117-W267 HydrophobicContact CG2-CZ2 4.29Å; V117-W267 VanDerWaalsContact O-CG 3.28Å; P119-W267 HydrophobicContact CB-CE3 4.15Å; P119-W267 HydrophobicContact CB-CZ3 4.2Å; P119-W267 HydrophobicContact CG-CE3 4.29Å; Q155-W267 VanDerWaalsContact OE1-CD1 3.25Å; V159-W267 HydrophobicContact CB-CH2 3.6Å; V159-W267 HydrophobicContact CB-CZ2 3.91Å; V159-W267 HydrophobicContact CG2-CH2 3.77Å; V159-W267 HydrophobicContact CG2-CZ2 4.39Å; V159-W267 HydrophobicContact CG2-CZ3 4.44Å; Q263-W267 VanDerWaalsContact O-CB 3.23Å; Q263-W267 WeakPolarHBondContact O-CB 3.32Å; Q263-W267 PolarHBondContact O-N 3.45Å; H264-W267 WeakPolarHBondContact O-CB 3.3Å; H264-W267 PolarHBondContact O-N 3.1Å; F265-W267 VanDerWaalsContact C-N 3.3Å; F265-W267 PolarHBondContact O-N 2.75Å; W267-L269 VanDerWaalsContact C-N 3.34Å; W267-L269 PolarHBondContact O-N 3.35Å; W267-N270 HydrophobicContact CE3-CB 4.15Å; W267-N270 HydrophobicContact CZ3-CB 4.37Å; W267-N270 WeakPolarHBondContact O-CA 3.46Å; W267-N270 VanDerWaalsContact O-CB 3.26Å; W267-N270 WeakPolarHBondContact O-CB 3.34Å; W267-N270 PolarHBondContact O-N 3.12Å; W267-N270 VanDerWaalsContact O-N 3.16Å; W267-C271 WeakPolarHBondContact CZ2-SG 3.24Å; W267-C271 PolarHBondContact O-N 3.09Å; W267-C271 PolarHBondContact O-SG 3.15Å
268	L	92.4	Very high	81.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-42.5	173.6	-70.7	-175.8	0	0	0	111.5	L110 Q155 H264 F265 N270 C271 F272 F286	L110-L268 HydrophobicContact CB-CD1 4.07Å; L110-L268 HydrophobicContact CB-CD2 4.07Å; L110-L268 HydrophobicContact CD2-CD2 3.87Å; L110-L268 HydrophobicContact CG-CD2 4.38Å; Q155-L268 HydrophobicContact CG-CD2 4.24Å; H264-L268 WeakPolarHBondContact O-CG 3.35Å; H264-L268 PolarHBondContact O-N 2.85Å; F265-L268 HydrophobicContact CD1-CD1 4.23Å; F265-L268 PolarHBondContact O-N 3.23Å; L268-N270 PolarHBondContact O-N 2.81Å; L268-C271 WeakPolarHBondContact O-CA 3.44Å; L268-C271 VanDerWaalsContact O-CB 3.32Å; L268-C271 WeakPolarHBondContact O-CB 3.48Å; L268-C271 PolarHBondContact O-N 3.07Å; L268-F272 WeakPolarHBondContact O-CD2 3.1Å; L268-F272 PolarHBondContact O-N 3.48Å; L268-F286 HydrophobicContact CB-CE1 4.33Å; L268-F286 HydrophobicContact CD1-CE1 4.26Å
269	L	90.9	Very high	83.4	Confident	44 Å²	44	52.2 Å²	52.2	23%	0.23	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-36.8	175.8	-158.2	72.3	0	0	0	111.4	F265 D266 W267 F272 K273 F278 M281 F286	F265-L269 WeakPolarHBondContact O-CB 3.37Å; F265-L269 PolarHBondContact O-N 3.35Å; D266-L269 PolarHBondContact O-N 3.16Å; W267-L269 VanDerWaalsContact C-N 3.34Å; W267-L269 PolarHBondContact O-N 3.35Å; L269-F272 PolarHBondContact O-N 3.41Å; L269-K273 WeakPolarHBondContact O-CG 3.45Å; L269-K273 PolarHBondContact O-N 3.06Å; L269-F278 HydrophobicContact CD1-CD2 4.28Å; L269-F278 HydrophobicContact CD1-CE2 3.79Å; L269-F278 HydrophobicContact CG-CE2 4.15Å; L269-M281 HydrophobicContact CD1-CE 3.97Å; L269-M281 HydrophobicContact CD1-SD 4.35Å; L269-F286 HydrophobicContact CD1-CE2 4.14Å; L269-F286 HydrophobicContact CD1-CZ 4.39Å
270	N	91.2	Very high	85.5	Confident	57 Å²	57	52.7 Å²	52.7	31%	0.305	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-43.3	172.1	-147.9	-56.7	0	0	0	111.7	D266 W267 L268 K273 R274	D266-N270 PolarHBondContact O-N 2.78Å; W267-N270 HydrophobicContact CE3-CB 4.15Å; W267-N270 HydrophobicContact CZ3-CB 4.37Å; W267-N270 WeakPolarHBondContact O-CA 3.46Å; W267-N270 VanDerWaalsContact O-CB 3.26Å; W267-N270 WeakPolarHBondContact O-CB 3.34Å; W267-N270 PolarHBondContact O-N 3.12Å; W267-N270 VanDerWaalsContact O-N 3.16Å; L268-N270 PolarHBondContact O-N 2.81Å; N270-K273 PolarHBondContact O-N 2.79Å; N270-R274 WeakPolarHBondContact O-CB 3.39Å; N270-R274 WeakPolarHBondContact O-CG 3.38Å; N270-R274 PolarHBondContact O-N 2.89Å; N270-R274 PolarHBondContact OD1-NE 3.49Å
271	C	94.3	Very high	86.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-45.1	174.1	-60.7	0	0	0	0	112	Y154 A158 W267 L268 K273 R274 T275	Y154-C271 HydrophobicContact CD1-CB 4.38Å; Y154-C271 HydrophobicContact CE1-CB 3.56Å; Y154-C271 PolarHBondContact OH-O 2.76Å; A158-C271 HydrophobicContact CB-CB 3.88Å; W267-C271 WeakPolarHBondContact CZ2-SG 3.24Å; W267-C271 PolarHBondContact O-N 3.09Å; W267-C271 PolarHBondContact O-SG 3.15Å; L268-C271 WeakPolarHBondContact O-CA 3.44Å; L268-C271 VanDerWaalsContact O-CB 3.32Å; L268-C271 WeakPolarHBondContact O-CB 3.48Å; L268-C271 PolarHBondContact O-N 3.07Å; C271-K273 VanDerWaalsContact C-N 3.35Å; C271-K273 PolarHBondContact O-N 3.31Å; C271-R274 PolarHBondContact O-N 3.41Å; C271-T275 WeakPolarHBondContact O-CB 3.33Å; C271-T275 WeakPolarHBondContact O-CG2 3.47Å; C271-T275 PolarHBondContact O-N 3.42Å; C271-T275 PolarHBondContact O-OG1 3.08Å
272	F	93.7	Very high	88.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-41.4	177.2	-93.9	-97.4	0	0	0	112	P101 L102 Y154 L268 L269 G276 H277 F278 M281 Y285	P101-F272 HydrophobicContact CB-CE1 4.35Å; P101-F272 HydrophobicContact CB-CE2 3.87Å; P101-F272 HydrophobicContact CB-CZ 3.6Å; P101-F272 HydrophobicContact CG-CE1 3.87Å; P101-F272 HydrophobicContact CG-CE2 4.18Å; P101-F272 HydrophobicContact CG-CZ 3.63Å; L102-F272 HydrophobicContact CD2-CE1 3.9Å; L102-F272 HydrophobicContact CD2-CZ 4.12Å; Y154-F272 PolarHBondContact OH-N 3.31Å; L268-F272 WeakPolarHBondContact O-CD2 3.1Å; L268-F272 PolarHBondContact O-N 3.48Å; L269-F272 PolarHBondContact O-N 3.41Å; F272-G276 PolarHBondContact O-N 3.37Å; F272-H277 HydrophobicContact CD1-CB 3.55Å; F272-H277 HydrophobicContact CE1-CB 3.85Å; F272-H277 HydrophobicContact CG-CB 4.29Å; F272-H277 PolarHBondContact O-N 2.93Å; F272-F278 HydrophobicContact CB-CB 4.39Å; F272-F278 HydrophobicContact CB-CD2 4.42Å; F272-F278 PolarHBondContact O-N 3.14Å; F272-M281 HydrophobicContact CD1-CB 3.87Å; F272-M281 HydrophobicContact CD1-CG 3.95Å; F272-M281 HydrophobicContact CD1-SD 3.88Å; F272-M281 HydrophobicContact CD2-SD 4.47Å; F272-M281 HydrophobicContact CE1-CB 3.89Å; F272-M281 HydrophobicContact CE1-CG 3.75Å; F272-M281 HydrophobicContact CE1-SD 4.12Å; F272-M281 HydrophobicContact CG-SD 4.07Å; F272-M281 HydrophobicContact CZ-CG 4.35Å; F272-Y285 HydrophobicContact CE2-CD1 4.46Å; F272-Y285 AromaticContact CE2-CE1 3.75Å; F272-Y285 HydrophobicContact CE2-CE1 3.75Å; F272-Y285 AromaticContact CE2-CZ 3.76Å; F272-Y285 HydrophobicContact CZ-CD1 4.33Å; F272-Y285 HydrophobicContact CZ-CD2 4.33Å; F272-Y285 AromaticContact CZ-CE1 3.78Å; F272-Y285 HydrophobicContact CZ-CE1 3.78Å; F272-Y285 AromaticContact CZ-CE2 3.76Å; F272-Y285 HydrophobicContact CZ-CE2 3.76Å; F272-Y285 AromaticContact CZ-CZ 3.45Å; F272-Y285 VanDerWaalsContact CZ-CZ 3.45Å
273	K	92.1	Very high	88.8	Confident	124 Å²	124	55.3 Å²	55.3	54%	0.539	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-50.4	174.2	-71.9	176.5	-179.7	-175.2	0	111.8	L269 N270 C271 T275 G276 F278	L269-K273 WeakPolarHBondContact O-CG 3.45Å; L269-K273 PolarHBondContact O-N 3.06Å; N270-K273 PolarHBondContact O-N 2.79Å; C271-K273 VanDerWaalsContact C-N 3.35Å; C271-K273 PolarHBondContact O-N 3.31Å; K273-T275 PolarHBondContact O-N 2.88Å; K273-G276 PolarHBondContact O-N 2.88Å; K273-F278 HydrophobicContact CD-CD2 4.41Å; K273-F278 HydrophobicContact CD-CE2 4.43Å; K273-F278 VanDerWaalsContact CE-CE2 3.5Å; K273-F278 HydrophobicContact CG-CB 4.27Å; K273-F278 HydrophobicContact CG-CD2 3.58Å; K273-F278 HydrophobicContact CG-CE2 4.07Å; K273-F278 HydrophobicContact CG-CG 3.98Å
274	R	91.2	Very high	88.9	Confident	96 Å²	96	56.2 Å²	56.2	36%	0.362	30%	0.3	S	S	.	.	H	α-helix	trans	-64.1	-38.3	-178.1	-73	179.8	-174.8	-102.9	-1.4	113.9	A158 M161 N270 C271	A158-R274 WeakPolarHBondContact O-CD 3.48Å; M161-R274 WeakPolarHBondContact CE-O 3.47Å; M161-R274 HydrophobicContact SD-CB 3.95Å; N270-R274 WeakPolarHBondContact O-CB 3.39Å; N270-R274 WeakPolarHBondContact O-CG 3.38Å; N270-R274 PolarHBondContact O-N 2.89Å; N270-R274 PolarHBondContact OD1-NE 3.49Å; C271-R274 PolarHBondContact O-N 3.41Å
275	T	91.5	Very high	88.7	Confident	40 Å²	40	56.1 Å²	56.1	25%	0.245	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	4.4	-176.7	62.5	0	0	0	0	114	Y154 A158 M161 C271 K273 H277	Y154-T275 HydrophobicContact CE2-CG2 3.94Å; Y154-T275 PolarHBondContact OH-OG1 2.9Å; A158-T275 HydrophobicContact CB-CG2 4.03Å; M161-T275 HydrophobicContact SD-CG2 4.27Å; C271-T275 WeakPolarHBondContact O-CB 3.33Å; C271-T275 WeakPolarHBondContact O-CG2 3.47Å; C271-T275 PolarHBondContact O-N 3.42Å; C271-T275 PolarHBondContact O-OG1 3.08Å; K273-T275 PolarHBondContact O-N 2.88Å; T275-H277 VanDerWaalsContact C-N 3.25Å; T275-H277 PolarHBondContact O-N 3Å; T275-H277 PolarHBondContact O-ND1 2.81Å; T275-H277 PolarHBondContact OG1-ND1 3.23Å
276	G	91.9	Very high	88.2	Confident	48 Å²	48	56.4 Å²	56.4	50%	0.495	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	5.5	179.8	0	0	0	0	0	115.6	F272 K273	F272-G276 PolarHBondContact O-N 3.37Å; K273-G276 PolarHBondContact O-N 2.88Å
277	H	92.6	Very high	87.1	Confident	32 Å²	32	56.8 Å²	56.8	15%	0.148	30%	0.299	C	S	.	.			trans	-80.4	-14.7	-179	-72	90.4	0	0	0	114	P101 F272 T275 S279 R280 M281	P101-H277 VanDerWaalsContact CD-CD2 3.41Å; P101-H277 WeakPolarHBondContact CD-CD2 3.21Å; P101-H277 HydrophobicContact CG-CB 3.86Å; F272-H277 HydrophobicContact CD1-CB 3.55Å; F272-H277 HydrophobicContact CE1-CB 3.85Å; F272-H277 HydrophobicContact CG-CB 4.29Å; F272-H277 PolarHBondContact O-N 2.93Å; T275-H277 VanDerWaalsContact C-N 3.25Å; T275-H277 PolarHBondContact O-N 3Å; T275-H277 PolarHBondContact O-ND1 2.81Å; T275-H277 PolarHBondContact OG1-ND1 3.23Å; H277-S279 VanDerWaalsContact C-N 3.28Å; H277-S279 PolarHBondContact O-N 2.9Å; H277-R280 PolarHBondContact CD2-NH1 3.26Å; H277-R280 PolarHBondContact O-N 2.86Å; H277-M281 PolarHBondContact O-N 3.49Å
278	F	89.8	Confident	85.1	Confident	95 Å²	95	59.5 Å²	59.5	42%	0.417	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-53.4	-40.4	-175.8	-170.9	-93.3	0	0	0	113.6	L269 F272 K273 R280 M281	L269-F278 HydrophobicContact CD1-CD2 4.28Å; L269-F278 HydrophobicContact CD1-CE2 3.79Å; L269-F278 HydrophobicContact CG-CE2 4.15Å; F272-F278 HydrophobicContact CB-CB 4.39Å; F272-F278 HydrophobicContact CB-CD2 4.42Å; F272-F278 PolarHBondContact O-N 3.14Å; K273-F278 HydrophobicContact CD-CD2 4.41Å; K273-F278 HydrophobicContact CD-CE2 4.43Å; K273-F278 VanDerWaalsContact CE-CE2 3.5Å; K273-F278 HydrophobicContact CG-CB 4.27Å; K273-F278 HydrophobicContact CG-CD2 3.58Å; K273-F278 HydrophobicContact CG-CE2 4.07Å; K273-F278 HydrophobicContact CG-CG 3.98Å; F278-R280 VanDerWaalsContact C-N 3.25Å; F278-R280 PolarHBondContact O-N 3.48Å; F278-M281 WeakPolarHBondContact O-CB 3.42Å; F278-M281 PolarHBondContact O-N 3.32Å
279	S	88.3	Confident	82.6	Confident	112 Å²	112	63.9 Å²	63.9	78%	0.783	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-71	-15.8	178.2	54.4	0	0	0	0	114.6	H277	H277-S279 VanDerWaalsContact C-N 3.28Å; H277-S279 PolarHBondContact O-N 2.9Å
280	R	89.7	Confident	80.2	Confident	129 Å²	129	68.4 Å²	68.4	49%	0.487	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-99.4	-4.3	175.9	-61.4	174.1	59.8	-145	-5.5	112.5	D100 L102 H277 F278 P282	D100-R280 IonicContact OD1-NH1 2.72Å; D100-R280 IonicContact OD1-NH2 3.21Å; D100-R280 IonicContact OD2-CZ 3.7Å; D100-R280 IonicContact OD2-NH1 3.87Å; D100-R280 PolarHBondContact OD2-NH1 2.88Å; D100-R280 IonicContact OD2-NH2 2.78Å; D100-R280 PolarHBondContact OD2-NH2 3.32Å; L102-R280 HydrophobicContact CD1-CB 3.8Å; L102-R280 WeakPolarHBondContact CD1-O 3.5Å; H277-R280 PolarHBondContact CD2-NH1 3.26Å; H277-R280 PolarHBondContact O-N 2.86Å; F278-R280 VanDerWaalsContact C-N 3.25Å; F278-R280 PolarHBondContact O-N 3.48Å; R280-P282 WeakPolarHBondContact O-CD 3.45Å
281	M	87	Confident	77.5	Confident	43 Å²	43	69.5 Å²	69.5	21%	0.212	37%	0.37	C	S	.	.			trans	-75.6	122.3	-172.9	-167.9	-178.3	73.5	0	0	111	L269 F272 H277 F278 Y285 F286	L269-M281 HydrophobicContact CD1-CE 3.97Å; L269-M281 HydrophobicContact CD1-SD 4.35Å; F272-M281 HydrophobicContact CD1-CB 3.87Å; F272-M281 HydrophobicContact CD1-CG 3.95Å; F272-M281 HydrophobicContact CD1-SD 3.88Å; F272-M281 HydrophobicContact CD2-SD 4.47Å; F272-M281 HydrophobicContact CE1-CB 3.89Å; F272-M281 HydrophobicContact CE1-CG 3.75Å; F272-M281 HydrophobicContact CE1-SD 4.12Å; F272-M281 HydrophobicContact CG-SD 4.07Å; F272-M281 HydrophobicContact CZ-CG 4.35Å; H277-M281 PolarHBondContact O-N 3.49Å; F278-M281 WeakPolarHBondContact O-CB 3.42Å; F278-M281 PolarHBondContact O-N 3.32Å; M281-Y285 HydrophobicContact CG-CD1 4.3Å; M281-Y285 HydrophobicContact CG-CD2 4.27Å; M281-Y285 HydrophobicContact CG-CG 3.8Å; M281-Y285 HydrophobicContact SD-CD1 4.27Å; M281-Y285 HydrophobicContact SD-CG 4.34Å; M281-F286 HydrophobicContact CE-CE2 3.99Å; M281-F286 HydrophobicContact SD-CE2 3.79Å; M281-F286 HydrophobicContact SD-CZ 4.17Å
282	P	83.9	Confident	74.7	Confident	50 Å²	50	74.9 Å²	74.9	33%	0.325	41%	0.407	S	S	.	.			trans	-58.8	145.8	172.2	-25.8	35.9	0	0	0	112.5	R280 D284 Y285	R280-P282 WeakPolarHBondContact O-CD 3.45Å; P282-D284 WeakPolarHBondContact CB-OD1 3.35Å; P282-D284 PolarHBondContact O-N 3.31Å; P282-Y285 VanDerWaalsContact O-CB 3.23Å; P282-Y285 WeakPolarHBondContact O-CB 3.36Å; P282-Y285 PolarHBondContact O-N 3.32Å
283	T	78.4	Confident	72	Confident	146 Å²	146	79.5 Å²	79.5	90%	0.896	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.5	175.4	49.4	0	0	0	0	112.9
284	D	78.7	Confident	69.2	Low	72 Å²	72	78.7 Å²	78.7	39%	0.385	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	11.4	172.8	78.8	-31.9	0	0	0	113.3	R107 P282 F286 K287	R107-D284 PolarHBondContact NH2-O 3.35Å; P282-D284 WeakPolarHBondContact CB-OD1 3.35Å; P282-D284 PolarHBondContact O-N 3.31Å; D284-F286 PolarHBondContact O-N 2.99Å; D284-F286 VanDerWaalsContact O-N 3.08Å; D284-K287 HydrophobicContact CB-CB 4.34Å; D284-K287 PolarHBondContact O-N 2.84Å
285	Y	80.8	Confident	66.5	Low	0 Å²	0	83.3 Å²	83.3	0%	0	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-38.6	-173.8	-176.2	-94.8	0	0	0	113.1	P101 L102 R107 L111 F272 M281 P282	P101-Y285 WeakPolarHBondContact O-CE2 3.5Å; P101-Y285 PolarHBondContact O-OH 3.22Å; L102-Y285 HydrophobicContact CD2-CD2 3.83Å; L102-Y285 HydrophobicContact CD2-CE2 3.69Å; R107-Y285 HydrophobicContact CB-CE2 4.17Å; R107-Y285 HydrophobicContact CG-CD2 4.34Å; R107-Y285 HydrophobicContact CG-CE2 3.62Å; R107-Y285 VanDerWaalsContact CZ-O 3.32Å; R107-Y285 PolarHBondContact NE-O 2.87Å; R107-Y285 VanDerWaalsContact NE-O 3.12Å; R107-Y285 VanDerWaalsContact NH2-C 3.32Å; R107-Y285 VanDerWaalsContact NH2-CA 3.31Å; R107-Y285 PolarHBondContact NH2-O 2.99Å; L111-Y285 HydrophobicContact CD2-CD1 4.45Å; L111-Y285 HydrophobicContact CD2-CE1 4.15Å; F272-Y285 HydrophobicContact CE2-CD1 4.46Å; F272-Y285 AromaticContact CE2-CE1 3.75Å; F272-Y285 HydrophobicContact CE2-CE1 3.75Å; F272-Y285 AromaticContact CE2-CZ 3.76Å; F272-Y285 HydrophobicContact CZ-CD1 4.33Å; F272-Y285 HydrophobicContact CZ-CD2 4.33Å; F272-Y285 AromaticContact CZ-CE1 3.78Å; F272-Y285 HydrophobicContact CZ-CE1 3.78Å; F272-Y285 AromaticContact CZ-CE2 3.76Å; F272-Y285 HydrophobicContact CZ-CE2 3.76Å; F272-Y285 AromaticContact CZ-CZ 3.45Å; F272-Y285 VanDerWaalsContact CZ-CZ 3.45Å; M281-Y285 HydrophobicContact CG-CD1 4.3Å; M281-Y285 HydrophobicContact CG-CD2 4.27Å; M281-Y285 HydrophobicContact CG-CG 3.8Å; M281-Y285 HydrophobicContact SD-CD1 4.27Å; M281-Y285 HydrophobicContact SD-CG 4.34Å; P282-Y285 VanDerWaalsContact O-CB 3.23Å; P282-Y285 WeakPolarHBondContact O-CB 3.36Å; P282-Y285 PolarHBondContact O-N 3.32Å
286	F	78.7	Confident	63.9	Low	23 Å²	23	88.4 Å²	88.4	10%	0.101	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.3	177.3	-59.1	-73.2	0	0	0	114.4	L111 F265 L268 L269 M281 D284 V315	L111-F286 HydrophobicContact CD2-CD1 3.62Å; L111-F286 HydrophobicContact CD2-CE1 4.16Å; F265-F286 HydrophobicContact CB-CE1 4.47Å; F265-F286 AromaticContact CD1-CD1 3.58Å; F265-F286 HydrophobicContact CD1-CD1 3.58Å; F265-F286 AromaticContact CD1-CE1 3.77Å; F265-F286 HydrophobicContact CD1-CE1 3.77Å; F265-F286 HydrophobicContact CE1-CD1 4.05Å; F265-F286 HydrophobicContact CG-CD1 4.3Å; F265-F286 HydrophobicContact CG-CE1 4.49Å; L268-F286 HydrophobicContact CB-CE1 4.33Å; L268-F286 HydrophobicContact CD1-CE1 4.26Å; L269-F286 HydrophobicContact CD1-CE2 4.14Å; L269-F286 HydrophobicContact CD1-CZ 4.39Å; M281-F286 HydrophobicContact CE-CE2 3.99Å; M281-F286 HydrophobicContact SD-CE2 3.79Å; M281-F286 HydrophobicContact SD-CZ 4.17Å; D284-F286 PolarHBondContact O-N 2.99Å; D284-F286 VanDerWaalsContact O-N 3.08Å; F286-V315 HydrophobicContact CB-CG1 4.29Å; F286-V315 WeakPolarHBondContact O-CB 3.37Å; F286-V315 WeakPolarHBondContact O-CG1 3.27Å
287	K	61	Low	61.2	Low	77 Å²	77	90.4 Å²	90.4	34%	0.335	50%	0.498	S	S	.	.	S	Bend	trans	-90.9	132.7	176.1	-63.8	-163.6	170.3	-157.7	0	110.6	D284 D318	D284-K287 HydrophobicContact CB-CB 4.34Å; D284-K287 PolarHBondContact O-N 2.84Å; K287-D318 IonicContact NZ-OD1 2.65Å; K287-D318 PolarHBondContact NZ-OD1 3.34Å
288	L	49.5	Very low	58.4	Low	61 Å²	61	93.4 Å²	93.4	32%	0.319	52%	0.516	S	S	.	.			trans	-84.7	115.2	170.3	-100.1	70.8	0	0	0	109.9	L111 Q290 L291 E312	L111-L288 HydrophobicContact CD1-CD1 4.43Å; L288-Q290 PolarHBondContact O-N 3.31Å; L288-L291 HydrophobicContact CB-CD1 4.44Å; L288-E312 HydrophobicContact CD2-CB 4.12Å; L288-E312 HydrophobicContact CD2-CG 4.39Å
289	S	38.3	Very low	55.8	Low	93 Å²	93	92 Å²	92	65%	0.65	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-65.9	-20.7	-176.8	51.4	0	0	0	0	114.8	S292	S289-S292 PolarHBondContact O-OG 3.5Å
290	Q	41.5	Very low	53	Low	139 Å²	139	93.2 Å²	93.2	65%	0.65	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-79.2	-19.1	-171.7	-57.4	-169.3	11.6	0	0	114.6	L288 S292 S293	L288-Q290 PolarHBondContact O-N 3.31Å; Q290-S292 PolarHBondContact O-N 3.41Å; Q290-S293 PolarHBondContact O-OG 3.09Å
291	L	35.3	Very low	50.1	Low	79 Å²	79	95.9 Å²	95.9	41%	0.414	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-69	-10.8	-179.6	-76	168.1	0	0	0	114.1	L288 S293 L294	L288-L291 HydrophobicContact CB-CD1 4.44Å; L291-S293 PolarHBondContact O-N 2.98Å; L291-L294 HydrophobicContact CD2-CD1 4.08Å
292	S	33.7	Very low	47.3	Very low	113 Å²	113	97.3 Å²	97.3	79%	0.79	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-65.7	-1.5	176.5	55.7	0	0	0	0	115.1	S289 Q290	S289-S292 PolarHBondContact O-OG 3.5Å; Q290-S292 PolarHBondContact O-N 3.41Å
293	S	37.6	Very low	44.8	Very low	98 Å²	98	96.4 Å²	96.4	69%	0.685	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-106	-8.4	-170.8	60.5	0	0	0	0	115.6	Q290 L291	Q290-S293 PolarHBondContact O-OG 3.09Å; L291-S293 PolarHBondContact O-N 2.98Å
294	L	34.4	Very low	42.5	Very low	107 Å²	107	95 Å²	95	56%	0.56	52%	0.523	S	S	*	.			trans	-85	148.6	-177.4	-71.2	168.6	0	0	0	112.5	L291	L291-L294 HydrophobicContact CD2-CD1 4.08Å
295	R	33.7	Very low	40.4	Very low	192 Å²	192	99.3 Å²	99.3	73%	0.725	54%	0.54	S	S	*	.			trans	-89.1	148.8	-179.2	-70	-175.8	177.1	-173.8	-0.3	111.7	S297 D298	R295-S297 WeakPolarHBondContact CB-OG 3.36Å; R295-S297 PolarHBondContact O-N 3.25Å; R295-D298 PolarHBondContact O-N 3.15Å
296	P	37.7	Very low	38.1	Very low	147 Å²	147	102.3 Å²	102.3	96%	0.955	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-2.1	176.4	-23.2	34.4	0	0	0	116.1
297	S	35.1	Very low	36.1	Very low	90 Å²	90	106.7 Å²	106.7	63%	0.629	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-19	-177.2	47.1	0	0	0	0	114.7	R295	R295-S297 WeakPolarHBondContact CB-OG 3.36Å; R295-S297 PolarHBondContact O-N 3.25Å
298	D	33.6	Very low	34.9	Very low	96 Å²	96	106.9 Å²	106.9	51%	0.513	59%	0.591	S	S	.	*	S	Bend	trans	-94.1	122.8	-159.2	-55	-17.5	0	0	0	110.1	R295 I300	R295-D298 PolarHBondContact O-N 3.15Å; D298-I300 PolarHBondContact O-N 3.42Å
299	S	34.5	Very low	34.3	Very low	66 Å²	66	105.8 Å²	105.8	46%	0.462	59%	0.585	S	S	.	*			trans	-67.7	137.7	-166.1	96.4	0	0	0	0	112.6	Y301 S302 A303	S299-Y301 PolarHBondContact O-N 3.26Å; S299-S302 PolarHBondContact O-N 2.96Å; S299-S302 PolarHBondContact O-OG 3.25Å; S299-S302 PolarHBondContact OG-N 3.42Å; S299-S302 PolarHBondContact OG-OG 3.06Å; S299-A303 PolarHBondContact O-N 2.9Å
300	I	30.9	Very low	33.9	Very low	136 Å²	136	104 Å²	104	70%	0.697	58%	0.582	S	S	*	*	H	α-helix	trans	-58.4	-34.6	179.7	-61.6	170.4	0	0	0	111.2	D298 S302 A303 L304	D298-I300 PolarHBondContact O-N 3.42Å; I300-S302 VanDerWaalsContact C-N 3.34Å; I300-S302 PolarHBondContact O-N 3.45Å; I300-A303 PolarHBondContact O-N 3.35Å; I300-L304 HydrophobicContact CG2-CD1 4.18Å; I300-L304 WeakPolarHBondContact O-CG 3.25Å; I300-L304 PolarHBondContact O-N 3.08Å
301	Y	27.8	Very low	33.7	Very low	186 Å²	186	100.7 Å²	100.7	73%	0.729	57%	0.568	S	S	*	*	H	α-helix	trans	-63.5	-34	176.1	-95	-87.9	0	0	0	113.8	S299	S299-Y301 PolarHBondContact O-N 3.26Å
302	S	28.8	Very low	33.6	Very low	73 Å²	73	101 Å²	101	51%	0.51	57%	0.568	S	S	.	*	H	α-helix	trans	-72.7	-29.1	175.4	23.4	0	0	0	0	113.1	S299 I300	S299-S302 PolarHBondContact O-N 2.96Å; S299-S302 PolarHBondContact O-OG 3.25Å; S299-S302 PolarHBondContact OG-N 3.42Å; S299-S302 PolarHBondContact OG-OG 3.06Å; I300-S302 VanDerWaalsContact C-N 3.34Å; I300-S302 PolarHBondContact O-N 3.45Å
303	A	31	Very low	33.6	Very low	30 Å²	30	99.4 Å²	99.4	25%	0.248	55%	0.55	C	S	.	*	H	α-helix	trans	-71.5	-43.1	175.3	0	0	0	0	0	112	S299 I300 H305 N306 L309	S299-A303 PolarHBondContact O-N 2.9Å; I300-A303 PolarHBondContact O-N 3.35Å; A303-H305 PolarHBondContact O-N 2.98Å; A303-N306 PolarHBondContact O-N 3.14Å; A303-N306 VanDerWaalsContact O-N 3.15Å; A303-L309 HydrophobicContact CB-CD1 4.05Å
304	L	29.8	Very low	33.4	Very low	118 Å²	118	100.9 Å²	100.9	62%	0.618	55%	0.549	S	S	*	.	H	α-helix	trans	-60.6	-26.1	-176.2	-74.5	167	0	0	0	114.7	I300	I300-L304 HydrophobicContact CG2-CD1 4.18Å; I300-L304 WeakPolarHBondContact O-CG 3.25Å; I300-L304 PolarHBondContact O-N 3.08Å
305	H	33.9	Very low	33.4	Very low	162 Å²	162	97.6 Å²	97.6	75%	0.75	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-0.7	179.5	-84	-69.3	0	0	0	114.8	A303 P307	A303-H305 PolarHBondContact O-N 2.98Å; H305-P307 WeakPolarHBondContact O-CD 3.42Å
306	N	33.7	Very low	33.3	Very low	62 Å²	62	96.4 Å²	96.4	33%	0.332	54%	0.536	S	S	.	.			trans	-82.8	117.9	179.4	-172.4	-13.4	0	0	0	111	A303 L308 L309 G310	A303-N306 PolarHBondContact O-N 3.14Å; A303-N306 VanDerWaalsContact O-N 3.15Å; N306-L308 PolarHBondContact O-N 3.47Å; N306-L308 WeakPolarHBondContact OD1-CB 3.47Å; N306-L308 PolarHBondContact OD1-N 3.12Å; N306-L308 VanDerWaalsContact OD1-N 3.09Å; N306-L309 HydrophobicContact CB-CB 4.3Å; N306-L309 HydrophobicContact CB-CD1 4.19Å; N306-L309 HydrophobicContact CB-CG 4.36Å; N306-L309 PolarHBondContact O-N 2.96Å; N306-G310 PolarHBondContact O-N 3.09Å; N306-G310 VanDerWaalsContact O-N 3.16Å
307	P	37.1	Very low	33	Very low	116 Å²	116	91.2 Å²	91.2	75%	0.753	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16	-179.9	-23	35	0	0	0	114.9	H305	H305-P307 WeakPolarHBondContact O-CD 3.42Å
308	L	35.6	Very low	32.7	Very low	81 Å²	81	90.3 Å²	90.3	42%	0.424	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-37.6	172.6	-64.9	170.2	0	0	0	112.1	N306 M567	N306-L308 PolarHBondContact O-N 3.47Å; N306-L308 WeakPolarHBondContact OD1-CB 3.47Å; N306-L308 PolarHBondContact OD1-N 3.12Å; N306-L308 VanDerWaalsContact OD1-N 3.09Å; L308-M567 HydrophobicContact CD1-CB 4.48Å; L308-M567 HydrophobicContact CD1-CE 4.14Å; L308-M567 HydrophobicContact CD1-CG 4.12Å; L308-M567 HydrophobicContact CD1-SD 4.11Å; L308-M567 HydrophobicContact CD2-CE 4.24Å; L308-M567 HydrophobicContact CG-CE 4.4Å
309	L	36.3	Very low	32.6	Very low	37 Å²	37	93 Å²	93	19%	0.194	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-90.4	-17.7	-174.9	-68.4	174.1	0	0	0	113.4	A303 N306 N311 E312 L313	A303-L309 HydrophobicContact CB-CD1 4.05Å; N306-L309 HydrophobicContact CB-CB 4.3Å; N306-L309 HydrophobicContact CB-CD1 4.19Å; N306-L309 HydrophobicContact CB-CG 4.36Å; N306-L309 PolarHBondContact O-N 2.96Å; L309-N311 PolarHBondContact O-N 2.9Å; L309-E312 PolarHBondContact O-N 2.78Å; L309-L313 HydrophobicContact CB-CD1 3.81Å; L309-L313 HydrophobicContact CD1-CD1 4.48Å; L309-L313 HydrophobicContact CD2-CD1 3.98Å; L309-L313 HydrophobicContact CG-CD1 4.31Å; L309-L313 PolarHBondContact O-N 2.86Å; L309-L313 VanDerWaalsContact O-N 3.16Å
310	G	30.4	Very low	32.5	Very low	56 Å²	56	94.3 Å²	94.3	58%	0.577	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-62.8	-6.3	178.9	0	0	0	0	0	116.1	N306	N306-G310 PolarHBondContact O-N 3.09Å; N306-G310 VanDerWaalsContact O-N 3.16Å
311	N	36.2	Very low	32.5	Very low	69 Å²	69	91.7 Å²	91.7	37%	0.369	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-113.7	-4.5	170.3	-74.3	-30.4	0	0	0	113.4	L309	L309-N311 PolarHBondContact O-N 2.9Å
312	E	34.7	Very low	32.6	Very low	86 Å²	86	89 Å²	89	40%	0.402	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-16.8	-173.8	-64.1	-162.8	138.2	0	0	114.3	L288 L309	L288-E312 HydrophobicContact CD2-CB 4.12Å; L288-E312 HydrophobicContact CD2-CG 4.39Å; L309-E312 PolarHBondContact O-N 2.78Å
313	L	33.3	Very low	32.8	Very low	80 Å²	80	91.7 Å²	91.7	42%	0.419	49%	0.491	S	S	.	.			trans	-100.3	106.8	169.1	-76.9	95.2	0	0	0	111.7	L309	L309-L313 HydrophobicContact CB-CD1 3.81Å; L309-L313 HydrophobicContact CD1-CD1 4.48Å; L309-L313 HydrophobicContact CD2-CD1 3.98Å; L309-L313 HydrophobicContact CG-CD1 4.31Å; L309-L313 PolarHBondContact O-N 2.86Å; L309-L313 VanDerWaalsContact O-N 3.16Å
314	I	33.5	Very low	32.9	Very low	128 Å²	128	97.3 Å²	97.3	66%	0.656	51%	0.507	S	S	*	.				-173.9	96.6	106.4	-77.3	144.3	0	0	0	106.3	L261	L261-I314 HydrophobicContact CD2-CB 3.8Å; L261-I314 HydrophobicContact CD2-CG2 3.57Å; L261-I314 VanDerWaalsContact CD2-O 3.25Å; L261-I314 WeakPolarHBondContact CD2-O 3.3Å
315	V	34.4	Very low	32.9	Very low	39 Å²	39	98.2 Å²	98.2	24%	0.236	51%	0.513	C	S	.	.			trans	-145.7	70.7	156.7	-164.7	0	0	0	0	110.7	F265 F286 L317	F265-V315 HydrophobicContact CE1-CG2 4.5Å; F265-V315 HydrophobicContact CE2-CG2 3.89Å; F265-V315 HydrophobicContact CZ-CG2 3.59Å; F286-V315 HydrophobicContact CB-CG1 4.29Å; F286-V315 WeakPolarHBondContact O-CB 3.37Å; F286-V315 WeakPolarHBondContact O-CG1 3.27Å; V315-L317 VanDerWaalsContact C-N 3.33Å; V315-L317 HydrophobicContact CG1-CB 3.95Å; V315-L317 HydrophobicContact CG1-CD1 3.95Å; V315-L317 PolarHBondContact O-N 2.97Å
316	Q	30.1	Very low	32.6	Very low	167 Å²	167	98.8 Å²	98.8	78%	0.78	52%	0.515	S	S	*	.			trans	-86	81.2	155.4	-78.2	-164.7	-89.5	0	0	108.7	D318	Q316-D318 PolarHBondContact O-N 3.34Å
317	L	32.3	Very low	32.3	Very low	38 Å²	38	104.2 Å²	104.2	20%	0.199	54%	0.539	C	S	.	.	G	3₁₀ helix	trans	-78.9	14.9	176.3	-135.6	80.9	0	0	0	113.4	V315 L319 Y320 N321	V315-L317 VanDerWaalsContact C-N 3.33Å; V315-L317 HydrophobicContact CG1-CB 3.95Å; V315-L317 HydrophobicContact CG1-CD1 3.95Å; V315-L317 PolarHBondContact O-N 2.97Å; L317-L319 PolarHBondContact O-N 3.28Å; L317-L319 VanDerWaalsContact O-N 3.13Å; L317-Y320 HydrophobicContact CD2-CD1 4.49Å; L317-Y320 PolarHBondContact O-N 2.72Å; L317-N321 PolarHBondContact O-N 3.42Å
318	D	29.5	Very low	31.8	Very low	71 Å²	71	105.1 Å²	105.1	38%	0.38	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-69.6	-6.5	-178	-57	-49	0	0	0	113.1	K287 Q316 N322	K287-D318 IonicContact NZ-OD1 2.65Å; K287-D318 PolarHBondContact NZ-OD1 3.34Å; Q316-D318 PolarHBondContact O-N 3.34Å; D318-N322 PolarHBondContact O-ND2 2.81Å
319	L	31.3	Very low	31.5	Very low	152 Å²	152	107.6 Å²	107.6	80%	0.796	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-89.4	-13.4	167.1	-66.8	175.9	0	0	0	114	L317	L317-L319 PolarHBondContact O-N 3.28Å; L317-L319 VanDerWaalsContact O-N 3.13Å
320	Y	31.1	Very low	31.1	Very low	94 Å²	94	112.8 Å²	112.8	37%	0.369	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.3	-38.6	-176.3	-143.3	-108.4	0	0	0	112.3	L317 N322 N323 Y324	L317-Y320 HydrophobicContact CD2-CD1 4.49Å; L317-Y320 PolarHBondContact O-N 2.72Å; Y320-N322 PolarHBondContact O-N 3.07Å; Y320-N322 VanDerWaalsContact O-N 3.12Å; Y320-N323 PolarHBondContact O-N 3.19Å; Y320-N323 VanDerWaalsContact O-N 3.07Å; Y320-Y324 HydrophobicContact CD1-CD2 4.07Å; Y320-Y324 AromaticContact CE1-CD2 3.71Å; Y320-Y324 HydrophobicContact CE1-CD2 3.71Å; Y320-Y324 AromaticContact CE1-CE2 3.72Å; Y320-Y324 HydrophobicContact CE1-CE2 3.72Å; Y320-Y324 AromaticContact CZ-CE2 4Å
321	N	31.7	Very low	31	Very low	80 Å²	80	116.8 Å²	116.8	43%	0.428	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.4	-17.2	176.7	-79.1	18.4	0	0	0	113.8	L317	L317-N321 PolarHBondContact O-N 3.42Å
322	N	31.1	Very low	30.6	Very low	129 Å²	129	119.7 Å²	119.7	69%	0.69	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-16.6	176.2	-73.9	-50.2	0	0	0	113.7	D318 Y320	D318-N322 PolarHBondContact O-ND2 2.81Å; Y320-N322 PolarHBondContact O-N 3.07Å; Y320-N322 VanDerWaalsContact O-N 3.12Å
323	N	31.8	Very low	30.4	Very low	130 Å²	130	122.1 Å²	122.1	70%	0.695	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-6.5	-175.9	-73.7	-3.2	0	0	0	114.3	Y320	Y320-N323 PolarHBondContact O-N 3.19Å; Y320-N323 VanDerWaalsContact O-N 3.07Å
324	Y	32.5	Very low	30.1	Very low	148 Å²	148	124.2 Å²	124.2	58%	0.58	64%	0.639	S	S	*	*	S	Bend	trans	-107.2	14	-176.4	-106.7	-66.8	0	0	0	115.3	Y320	Y320-Y324 HydrophobicContact CD1-CD2 4.07Å; Y320-Y324 AromaticContact CE1-CD2 3.71Å; Y320-Y324 HydrophobicContact CE1-CD2 3.71Å; Y320-Y324 AromaticContact CE1-CE2 3.72Å; Y320-Y324 HydrophobicContact CE1-CE2 3.72Å; Y320-Y324 AromaticContact CZ-CE2 4Å
325	N	30.2	Very low	29.8	Very low	138 Å²	138	126 Å²	126	74%	0.738	64%	0.643	S	S	*	*	S	Bend	trans	-103.8	18	174.8	-75.7	-34.8	0	0	0	113.4
326	H	27.3	Very low	29.5	Very low	173 Å²	173	131.5 Å²	131.5	80%	0.801	67%	0.669	S	S	*	*			trans	-138.8	56.7	-176.2	-110.7	-72.8	0	0	0	113.6
327	E	27	Very low	29.5	Very low	176 Å²	176	131.3 Å²	131.3	82%	0.822	67%	0.672	S	S	*	*			trans	-113.1	86.8	152.7	-77.8	-174.2	167.1	0	0	107.6
328	N	27.3	Very low	29.1	Very low	135 Å²	135	134.7 Å²	134.7	72%	0.722	69%	0.694	S	S	*	*			trans	-158.2	122.9	-179.4	-143	-0.9	0	0	0	110.5
329	V	30.3	Very low	29	Very low	134 Å²	134	139 Å²	139	81%	0.812	72%	0.717	S	S	*	*			trans	68.5	141.4	172.4	-170.4	0	0	0	0	116.3
330	D	27.4	Very low	28.9	Very low	146 Å²	146	135.6 Å²	135.6	78%	0.781	72%	0.718	S	S	*	*			trans	-75.7	166.4	-179	-51.4	-88.6	0	0	0	114.6
331	D	28.3	Very low	28.6	Very low	139 Å²	139	138.3 Å²	138.3	74%	0.743	74%	0.739	S	S	*	*			trans	74.4	117.4	144.9	-104.5	24.6	0	0	0	122.5
332	N	27.5	Very low	28.6	Very low	131 Å²	131	142.3 Å²	142.3	70%	0.701	76%	0.759	S	S	*	*			trans	85.4	155.7	143.3	-63.1	-54.4	0	0	0	122.7
333	T	31	Very low	28.6	Very low	137 Å²	137	142.5 Å²	142.5	84%	0.84	76%	0.76	S	S	*	*			trans	75.7	60.8	168.8	57.8	0	0	0	0	119.9
334	D	26.5	Very low	28.3	Very low	123 Å²	123	140.9 Å²	140.9	66%	0.658	76%	0.759	S	S	*	*				7.9	125.1	122.1	-163.4	24.9	0	0	0	119.3
335	K	27.7	Very low	28.2	Very low	166 Å²	166	144.2 Å²	144.2	72%	0.722	78%	0.777	S	S	*	*			trans	63	134.3	166.1	-60.6	139.9	-173.4	157.2	0	119.3
336	I	27.7	Very low	28	Very low	155 Å²	155	141.3 Å²	141.3	80%	0.795	78%	0.779	S	S	*	*				179.3	131.2	116.7	-97.6	164.4	0	0	0	114.9
337	I	29.3	Very low	27.9	Very low	162 Å²	162	141.1 Å²	141.1	83%	0.831	78%	0.782	S	S	*	*			trans	66.7	145.6	153.2	-71.3	173.4	0	0	0	121.9
338	T	25.3	Very low	27.8	Very low	110 Å²	110	136.6 Å²	136.6	68%	0.675	77%	0.77	S	S	*	*			trans	-109.5	175.9	179.2	50.4	0	0	0	0	112.7
339	N	26	Very low	27.8	Very low	162 Å²	162	138 Å²	138	87%	0.866	78%	0.777	S	S	*	*			trans	84.2	120	167.3	-54.3	-28.8	0	0	0	117.4
340	G	29.3	Very low	27.5	Very low	79 Å²	79	136.3 Å²	136.3	81%	0.814	77%	0.771	S	S	*	*			trans	-167.6	78	174.8	0	0	0	0	0	110.1
341	N	25.6	Very low	27.5	Very low	152 Å²	152	133.6 Å²	133.6	81%	0.813	76%	0.763	S	S	*	*			trans	-84.4	120	-164.6	-149.1	9.5	0	0	0	111.8
342	I	31.9	Very low	27.5	Very low	163 Å²	163	134.5 Å²	134.5	84%	0.836	77%	0.767	S	S	*	*			trans	-128	118.9	166.9	-62.8	-174.7	0	0	0	110.8
343	N	29.8	Very low	27.4	Very low	133 Å²	133	137.8 Å²	137.8	71%	0.711	78%	0.777	S	S	*	*			trans	-69.4	168.3	176.3	-74	-46.7	0	0	0	113.4
344	S	26.5	Very low	27.2	Very low	97 Å²	97	133.6 Å²	133.6	68%	0.678	76%	0.761	S	S	*	*			cis	-174.4	143	-30.5	61.2	0	0	0	0	108.4
345	K	29.8	Very low	27.1	Very low	218 Å²	218	133 Å²	133	95%	0.948	77%	0.767	S	S	*	*			trans	171.8	87.1	155.3	-100.7	161.6	-175.4	176.5	0	108.8
346	G	26.3	Very low	26.9	Very low	77 Å²	77	131.3 Å²	131.3	79%	0.794	77%	0.765	S	S	*	*			trans	-90.2	158.8	-179.5	0	0	0	0	0	113.4
347	I	25.2	Very low	26.6	Very low	168 Å²	168	134 Å²	134	86%	0.862	77%	0.765	S	S	*	*			trans	-123.5	129.5	147.9	-63.9	-178.9	0	0	0	105.9
348	S	25	Very low	26.3	Very low	81 Å²	81	132 Å²	132	57%	0.566	76%	0.76	S	S	*	*			trans	-78.6	137.7	179.7	-175.4	0	0	0	0	111.4	S350	S348-S350 WeakPolarHBondContact OG-CB 3.48Å; S348-S350 PolarHBondContact OG-N 3.47Å; S348-S350 PolarHBondContact OG-OG 3.29Å
349	L	27.1	Very low	26.3	Very low	166 Å²	166	132.6 Å²	132.6	87%	0.869	77%	0.766	S	S	*	*			trans	-99.1	26.6	165.5	-92.6	165.8	0	0	0	112.9	S351	L349-S351 PolarHBondContact O-N 3.47Å
350	S	25.4	Very low	26.3	Very low	97 Å²	97	130.9 Å²	130.9	68%	0.678	76%	0.761	S	S	*	*			trans	-85.8	56.1	163	70.4	0	0	0	0	111.2	S348	S348-S350 WeakPolarHBondContact OG-CB 3.48Å; S348-S350 PolarHBondContact OG-N 3.47Å; S348-S350 PolarHBondContact OG-OG 3.29Å
351	S	25.9	Very low	26.2	Very low	90 Å²	90	136 Å²	136	63%	0.629	76%	0.761	S	S	*	*			trans	-158.6	152.2	175.8	-82.8	0	0	0	0	110.7	L349	L349-S351 PolarHBondContact O-N 3.47Å
352	I	28.1	Very low	26.2	Very low	158 Å²	158	135.3 Å²	135.3	81%	0.81	76%	0.757	S	S	*	*			trans	76.3	55.4	-168.2	-43.2	166.7	0	0	0	113
353	H	25.9	Very low	25.9	Very low	200 Å²	200	138.3 Å²	138.3	93%	0.926	76%	0.758	S	S	*	*			trans	-95.9	59.3	137.2	-161.3	-85.5	0	0	0	108.9
354	G	26.7	Very low	25.6	Very low	49 Å²	49	143.3 Å²	143.3	51%	0.505	77%	0.767	S	S	.	*			trans	-122.3	109.5	177	0	0	0	0	0	109
355	S	23.8	Very low	25.7	Very low	110 Å²	110	144.3 Å²	144.3	77%	0.769	77%	0.773	S	S	*	*				76.1	126.3	77.6	-84	0	0	0	0	114.7
356	L	23.4	Very low	25.5	Very low	130 Å²	130	138.3 Å²	138.3	68%	0.681	76%	0.758	S	S	*	*			trans	78.2	121.4	150.4	-90.6	54.7	0	0	0	120.5
357	R	23.1	Very low	25.7	Very low	211 Å²	211	140.7 Å²	140.7	80%	0.796	75%	0.753	S	S	*	*			trans	80.1	92.1	139.5	-61.5	168.4	-168.7	173.4	5.4	119.1
358	V	23.2	Very low	26	Very low	121 Å²	121	138.9 Å²	138.9	73%	0.733	75%	0.745	S	S	*	*				-1.3	110.1	118	177.7	0	0	0	0	114.6	V360	V358-V360 VanDerWaalsContact C-N 3.33Å; V358-V360 HydrophobicContact CG1-CB 4.18Å; V358-V360 HydrophobicContact CG1-CG2 3.57Å; V358-V360 PolarHBondContact O-N 3.41Å; V358-V360 VanDerWaalsContact O-N 3.14Å
359	P	24.9	Very low	26.2	Very low	122 Å²	122	143.2 Å²	143.2	79%	0.792	75%	0.753	S	S	*	*			trans	-85.2	67.2	171.1	34.2	-34.6	0	0	0	111.9	K361	P359-K361 VanDerWaalsContact C-N 3.27Å; P359-K361 PolarHBondContact O-N 3.26Å; P359-K361 VanDerWaalsContact O-N 3.07Å
360	V	24.9	Very low	26.1	Very low	127 Å²	127	142.4 Å²	142.4	77%	0.77	75%	0.749	S	S	*	*			trans	-80.6	81.6	162.8	170.6	0	0	0	0	108.2	V358	V358-V360 VanDerWaalsContact C-N 3.33Å; V358-V360 HydrophobicContact CG1-CB 4.18Å; V358-V360 HydrophobicContact CG1-CG2 3.57Å; V358-V360 PolarHBondContact O-N 3.41Å; V358-V360 VanDerWaalsContact O-N 3.14Å
361	K	27.4	Very low	26.3	Very low	186 Å²	186	145.6 Å²	145.6	81%	0.809	75%	0.753	S	S	*	*			trans	-175.2	143.3	171	-102.3	163.8	-176.2	-178.2	0	108.6	P359	P359-K361 VanDerWaalsContact C-N 3.27Å; P359-K361 PolarHBondContact O-N 3.26Å; P359-K361 VanDerWaalsContact O-N 3.07Å
362	N	24.9	Very low	26.3	Very low	138 Å²	138	146.3 Å²	146.3	74%	0.738	75%	0.754	S	S	*	*			cis	-169.4	169.3	-26.4	-147.7	-29.8	0	0	0	108.2
363	R	26.7	Very low	26.3	Very low	225 Å²	225	144 Å²	144	85%	0.849	75%	0.747	S	S	*	*			trans	73	119.9	177.2	-50.2	171.5	-174.4	-162.9	-0.8	112.8
364	R	24.1	Very low	26.1	Very low	238 Å²	238	141 Å²	141	90%	0.898	74%	0.737	S	S	*	*			cis	91.9	87.4	49.5	-80.8	-167.6	177.2	-169.9	-0.4	113.7
365	C	28	Very low	26.2	Very low	119 Å²	119	146.4 Å²	146.4	80%	0.804	75%	0.752	S	S	*	*			trans	-152.2	126	139.4	-82.8	0	0	0	0	101.7
366	S	25.2	Very low	26.2	Very low	91 Å²	91	147 Å²	147	64%	0.636	75%	0.751	S	S	*	*			cis	60.4	124.3	27.5	102.5	0	0	0	0	110.9
367	D	31.6	Very low	26.4	Very low	128 Å²	128	145.1 Å²	145.1	68%	0.684	76%	0.755	S	S	*	*			cis	-138.8	164.6	28.4	-51.7	-57.9	0	0	0	114.3
368	D	31.1	Very low	26.6	Very low	130 Å²	130	140.3 Å²	140.3	70%	0.695	75%	0.754	S	S	*	*			trans	66.2	154.1	141.4	-68	-8.4	0	0	0	124
369	F	30	Very low	26.9	Very low	171 Å²	171	139.9 Å²	139.9	75%	0.75	76%	0.756	S	S	*	*			cis	-138.9	140.7	-0.3	-133.1	-67.6	0	0	0	110.3
370	L	24.9	Very low	27.2	Very low	149 Å²	149	139 Å²	139	78%	0.78	75%	0.753	S	S	*	*			trans	-92	138.6	166.4	-96.4	168.3	0	0	0	110.1
371	H	29.5	Very low	27.4	Very low	164 Å²	164	138.6 Å²	138.6	76%	0.759	76%	0.755	S	S	*	*			trans	-132	87.6	161.7	-135.4	-62.3	0	0	0	112.3
372	T	24.3	Very low	27.8	Very low	106 Å²	106	135 Å²	135	65%	0.65	75%	0.751	S	S	*	*			trans	-79.6	136.1	158.5	-56.8	0	0	0	0	108.3	I374	T372-I374 HydrophobicContact CG2-CG1 4.22Å
373	T	28.3	Very low	28	Very low	108 Å²	108	136.1 Å²	136.1	66%	0.663	76%	0.755	S	S	*	*			trans	-114.6	115	166.2	-59.4	0	0	0	0	108.4
374	I	23.2	Very low	28.1	Very low	139 Å²	139	130.6 Å²	130.6	71%	0.713	75%	0.747	S	S	*	*			trans	-86.5	130.9	175.8	-61	170.5	0	0	0	108.2	T372 T376	T372-I374 HydrophobicContact CG2-CG1 4.22Å; I374-T376 HydrophobicContact CG2-CG2 4.16Å
375	I	28.7	Very low	28.2	Very low	161 Å²	161	125.6 Å²	125.6	83%	0.826	74%	0.743	S	S	*	*			trans	-134.2	138	158	-60.9	-176.3	0	0	0	108.1
376	T	23.5	Very low	28.4	Very low	123 Å²	123	127.5 Å²	127.5	76%	0.755	74%	0.743	S	S	*	*			trans	-106.5	129.9	-166	49.2	0	0	0	0	114	I374	I374-T376 HydrophobicContact CG2-CG2 4.16Å
377	A	28.1	Very low	28.6	Very low	91 Å²	91	127.8 Å²	127.8	75%	0.752	75%	0.745	S	S	*	*			trans	-169.9	111.2	154.5	0	0	0	0	0	107.5
378	S	26.2	Very low	28.6	Very low	110 Å²	110	132.8 Å²	132.8	77%	0.769	76%	0.755	S	S	*	*				94.5	131.2	51.4	70.2	0	0	0	0	114.2
379	S	29.8	Very low	28.8	Very low	111 Å²	111	131.3 Å²	131.3	78%	0.776	75%	0.754	S	S	*	*			trans	88.7	120.8	171.7	76.4	0	0	0	0	120
380	S	31.1	Very low	28.9	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	75%	0.751	S	S	*	*			trans	47.7	154.5	141.2	53.4	0	0	0	0	123.5
381	S	28.8	Very low	29.2	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	76%	0.756	S	S	*	*			cis	179.6	163.5	-28.7	-95.6	0	0	0	0	107.7
382	P	35.3	Very low	29.1	Very low	110 Å²	110	126.9 Å²	126.9	71%	0.714	75%	0.751	S	S	*	*			trans	-111.5	162.9	-161	40.5	-34.9	0	0	0	117.4
383	I	30.4	Very low	29.3	Very low	162 Å²	162	126 Å²	126	83%	0.831	75%	0.749	S	S	*	*			trans	-159.1	135.5	154.2	-85.9	129.7	0	0	0	105.4
384	T	27.3	Very low	29.3	Very low	110 Å²	110	128.6 Å²	128.6	68%	0.675	76%	0.757	S	S	*	*			cis	104.9	125.2	21.7	-46.7	0	0	0	0	114
385	T	27.5	Very low	29.7	Very low	133 Å²	133	128.6 Å²	128.6	82%	0.816	76%	0.763	S	S	*	*			trans	69.6	159.8	169.4	15.5	0	0	0	0	116.8
386	I	31.1	Very low	29.7	Very low	159 Å²	159	130.1 Å²	130.1	82%	0.815	77%	0.767	S	S	*	*			cis	-133.7	167.2	17	-65.1	-179.8	0	0	0	112.2
387	S	29	Very low	30	Very low	97 Å²	97	127.8 Å²	127.8	68%	0.678	77%	0.767	S	S	*	*			trans	-100.5	171.3	-174.9	58.8	0	0	0	0	117.5
388	R	33.6	Very low	30	Very low	232 Å²	232	128.6 Å²	128.6	88%	0.875	77%	0.767	S	S	*	*			trans	171.3	133.3	138.8	-91.5	159	-178.5	-159.7	-0.3	109.5
389	S	34.2	Very low	30.4	Very low	99 Å²	99	129.3 Å²	129.3	69%	0.692	77%	0.767	S	S	*	*			cis	81.2	121	28.6	82.1	0	0	0	0	114.3
390	S	31.7	Very low	30.4	Very low	97 Å²	97	133.5 Å²	133.5	68%	0.678	78%	0.775	S	S	*	*			cis	-144.3	-139.6	3.7	-62.6	0	0	0	0	110.1
391	F	31.8	Very low	30.8	Very low	200 Å²	200	133.6 Å²	133.6	88%	0.877	77%	0.773	S	S	*	*			cis	-161.9	-166	4.1	-126.5	-36.2	0	0	0	111.4
392	S	27.9	Very low	31.1	Very low	95 Å²	95	136 Å²	136	66%	0.664	77%	0.771	S	S	*	*			trans	-145.3	-171.2	-173.3	63.3	0	0	0	0	111.7
393	S	28.4	Very low	31	Very low	88 Å²	88	137.3 Å²	137.3	62%	0.615	77%	0.767	S	S	*	*			cis	-169.2	147.9	9.9	8.1	0	0	0	0	112.9
394	I	27.3	Very low	31.2	Very low	161 Å²	161	137.9 Å²	137.9	83%	0.826	76%	0.76	S	S	*	*			trans	69.3	149.5	152.7	-56.7	161.4	0	0	0	119
395	V	31.5	Very low	31.5	Very low	139 Å²	139	139 Å²	139	84%	0.842	76%	0.762	S	S	*	*			trans	147.3	155.7	144.8	169.3	0	0	0	0	113
396	H	29.4	Very low	31.7	Very low	193 Å²	193	137.7 Å²	137.7	89%	0.894	75%	0.754	S	S	*	*			trans	-98.4	159.8	-165.6	-96.5	-112.5	0	0	0	116.7
397	G	29.9	Very low	31.9	Very low	75 Å²	75	137.4 Å²	137.4	77%	0.773	75%	0.752	S	S	*	*			trans	82.4	165.7	157.4	0	0	0	0	0	117.4
398	S	28.5	Very low	32.1	Very low	107 Å²	107	140 Å²	140	75%	0.748	76%	0.759	S	S	*	*			cis	-166.9	173.6	-27.9	53.2	0	0	0	0	110.8
399	T	33.4	Very low	32	Very low	126 Å²	126	132.1 Å²	132.1	77%	0.773	75%	0.75	S	S	*	*			trans	57.4	91.2	156	45.9	0	0	0	0	122.8
400	Q	31	Very low	31.8	Very low	199 Å²	199	138.9 Å²	138.9	93%	0.93	76%	0.76	S	S	*	*				55.1	163.5	118.5	-79.3	-139.9	-17.9	0	0	125.6
401	P	39.4	Very low	31.9	Very low	106 Å²	106	142.4 Å²	142.4	69%	0.688	77%	0.77	S	S	*	*			trans	-135.7	-174	-148.7	47.2	-31.6	0	0	0	118.1
402	Q	35.7	Very low	31.7	Very low	169 Å²	169	137.8 Å²	137.8	79%	0.79	76%	0.762	S	S	*	*			trans	-162.4	-179.8	152.5	-85.3	-137.5	36.8	0	0	110.6
403	H	32.9	Very low	32.3	Very low	137 Å²	137	138.8 Å²	138.8	63%	0.634	77%	0.766	S	S	*	*				-169.9	173.4	-55.6	-165.2	-109.7	0	0	0	110.6
404	Y	33.2	Very low	32.4	Very low	174 Å²	174	142.2 Å²	142.2	68%	0.682	78%	0.777	S	S	*	*			trans	67.3	150.7	173.7	-56.7	-75.6	0	0	0	116.9
405	N	34	Very low	32.7	Very low	134 Å²	134	140 Å²	140	72%	0.717	77%	0.771	S	S	*	*			cis	-160.7	-154.2	-15.9	-120.5	-1.8	0	0	0	109.3
406	T	32.4	Very low	32.6	Very low	104 Å²	104	144.5 Å²	144.5	64%	0.638	77%	0.773	S	S	*	*				-164.9	-176.6	-85.6	-71.6	0	0	0	0	109.2
407	I	34.7	Very low	32.8	Very low	153 Å²	153	140.3 Å²	140.3	79%	0.785	76%	0.763	S	S	*	*			trans	92.2	139.1	168	-53.7	173.8	0	0	0	116.5
408	N	32.7	Very low	32.8	Very low	152 Å²	152	145 Å²	145	81%	0.813	77%	0.768	S	S	*	*			cis	-174.3	162.8	-41.9	-108.8	-23.2	0	0	0	112.9
409	G	31.7	Very low	33	Very low	67 Å²	67	143.2 Å²	143.2	69%	0.691	77%	0.767	S	S	*	*			trans	127.7	120.6	170.2	0	0	0	0	0	112.6
410	R	31.5	Very low	32.7	Very low	241 Å²	241	144.8 Å²	144.8	91%	0.909	77%	0.771	S	S	*	*			cis	67.1	138.8	34.5	-69.3	-170.8	171.2	-172.1	-2.1	113.3
411	I	32.8	Very low	32.6	Very low	171 Å²	171	141.5 Å²	141.5	88%	0.877	76%	0.764	S	S	*	*			cis	-128.2	-172.6	41.8	-73.6	166.4	0	0	0	113.1
412	S	27.9	Very low	32.1	Very low	102 Å²	102	143.2 Å²	143.2	71%	0.713	77%	0.772	S	S	*	*			trans	-134.3	-144.2	-164.3	-52	0	0	0	0	115.3
413	P	40.3	Very low	31.8	Very low	116 Å²	116	138.7 Å²	138.7	75%	0.753	77%	0.771	S	S	*	*				-125.3	-168.7	-129.9	41	-20.6	0	0	0	116
414	L	31.6	Very low	31.5	Very low	161 Å²	161	140.6 Å²	140.6	84%	0.843	79%	0.785	S	S	*	*			trans	-172.6	147.6	147.3	-102.2	163.5	0	0	0	117.1
415	T	33.2	Very low	31.3	Very low	113 Å²	113	141.4 Å²	141.4	69%	0.693	80%	0.795	S	S	*	*			trans	13.8	124.5	159.7	44.3	0	0	0	0	127.4
416	R	27.8	Very low	30.9	Very low	235 Å²	235	141.5 Å²	141.5	89%	0.887	80%	0.801	S	S	*	*				34.3	160.5	103.9	-77.9	-172.6	179.7	-176	0.4	122
417	P	35.3	Very low	30.7	Very low	105 Å²	105	142 Å²	142	68%	0.682	81%	0.808	S	S	*	*			cis	-146.6	-170.9	-27	42.4	-22.8	0	0	0	116.5
418	I	29.8	Very low	30.5	Very low	173 Å²	173	140.6 Å²	140.6	89%	0.887	81%	0.81	S	S	*	*			trans	79.8	133.7	162	-60.8	166.4	0	0	0	118.3
419	G	32.3	Very low	30.2	Very low	70 Å²	70	141.5 Å²	141.5	72%	0.722	81%	0.813	S	S	*	*			trans	152.9	117	170.4	0	0	0	0	0	112.4
420	D	27.4	Very low	30.1	Very low	159 Å²	159	144 Å²	144	85%	0.85	82%	0.817	S	S	*	*			trans	-85.4	154.4	-178.5	-75.4	-63.3	0	0	0	113.8
421	T	28.9	Very low	29.7	Very low	129 Å²	129	144.4 Å²	144.4	79%	0.791	82%	0.819	S	S	*	*			trans	149	121.3	134.2	-64.4	0	0	0	0	113.1
422	V	27.4	Very low	29.6	Very low	142 Å²	142	147.5 Å²	147.5	86%	0.861	82%	0.819	S	S	*	*			trans	35.6	114.3	157.3	-176.1	0	0	0	0	119.3
423	G	29.9	Very low	29.5	Very low	75 Å²	75	146.2 Å²	146.2	77%	0.773	82%	0.823	S	S	*	*			trans	-161.4	85.9	165.8	0	0	0	0	0	113.3	Q425	G423-Q425 PolarHBondContact O-N 2.86Å
424	L	26.1	Very low	29	Very low	177 Å²	177	147.2 Å²	147.2	93%	0.927	82%	0.821	S	S	*	*			trans	-81.8	109.8	174.3	-90	165.2	0	0	0	110.6
425	Q	29.7	Very low	28.9	Very low	191 Å²	191	143.1 Å²	143.1	89%	0.893	80%	0.8	S	S	*	*			trans	-132.7	110	170.6	-157.1	173.4	36.7	0	0	110.8	G423	G423-Q425 PolarHBondContact O-N 2.86Å
426	T	26.7	Very low	28.8	Very low	136 Å²	136	141.6 Å²	141.6	83%	0.834	79%	0.79	S	S	*	*			trans	-91.9	145.1	177.5	47.2	0	0	0	0	110.9
427	S	27.5	Very low	29.1	Very low	113 Å²	113	134 Å²	134	79%	0.79	77%	0.767	S	S	*	*			trans	-138.9	152.9	170.6	54.8	0	0	0	0	110.3
428	P	29.6	Very low	29.3	Very low	125 Å²	125	130.9 Å²	130.9	81%	0.812	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-96	148.2	-142.4	34.5	-36.5	0	0	0	115.8
429	L	27.3	Very low	29.6	Very low	171 Å²	171	125.4 Å²	125.4	90%	0.895	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-94	141.5	167.6	-74.1	171.8	0	0	0	111.6
430	P	28.6	Very low	29.7	Very low	118 Å²	118	123 Å²	123	77%	0.766	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-82.2	154.1	-170.8	31.8	-36.3	0	0	0	114.8
431	R	24.8	Very low	30	Very low	250 Å²	250	117.4 Å²	117.4	94%	0.943	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-56.4	137.1	179.6	-61.4	175.9	177.5	179	-2.2	113.3
432	R	29.7	Very low	30.3	Very low	236 Å²	236	113.8 Å²	113.8	89%	0.891	63%	0.63	S	S	*	*			trans	-153.9	112.7	150.1	-140.4	173.2	-170.3	168.5	4.5	111.9
433	G	25.1	Very low	30.6	Very low	76 Å²	76	107.4 Å²	107.4	78%	0.784	59%	0.592	S	S	*	*			trans	-76.2	150.1	177.1	0	0	0	0	0	112.8
434	L	30.2	Very low	30.7	Very low	136 Å²	136	106.1 Å²	106.1	71%	0.712	57%	0.567	S	S	*	*			trans	-114.8	142.4	162	-87.7	94.7	0	0	0	109.9	F226 T436	F226-L434 HydrophobicContact CD1-CD2 4.26Å; F226-L434 HydrophobicContact CE1-CD2 4.13Å; F226-L434 HydrophobicContact CE1-CG 4.17Å; L434-T436 PolarHBondContact O-N 3.33Å
435	L	29.6	Very low	31.1	Very low	76 Å²	76	101.1 Å²	101.1	40%	0.398	54%	0.538	S	S	.	.			trans	-82.4	106.5	180	-66.9	163.2	0	0	0	110.2	N437 F785	L435-N437 PolarHBondContact O-N 3.11Å; L435-F785 HydrophobicContact CD2-CB 3.81Å; L435-F785 HydrophobicContact CD2-CD1 3.55Å; L435-F785 HydrophobicContact CD2-CD2 3.55Å; L435-F785 HydrophobicContact CD2-CE1 3.99Å; L435-F785 HydrophobicContact CD2-CE2 3.98Å; L435-F785 HydrophobicContact CD2-CG 3.32Å; L435-F785 HydrophobicContact CD2-CZ 4.2Å
436	T	30.9	Very low	31.2	Very low	81 Å²	81	99.2 Å²	99.2	50%	0.497	53%	0.529	S	S	.	.			trans	-87.1	92.2	167.5	53.6	0	0	0	0	109.8	L434	L434-T436 PolarHBondContact O-N 3.33Å
437	N	34	Very low	31.4	Very low	74 Å²	74	97.6 Å²	97.6	40%	0.396	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-82.7	124	158.9	-74.5	-0.1	0	0	0	107.4	H187 L435	H187-N437 PolarHBondContact CE1-O 2.91Å; L435-N437 PolarHBondContact O-N 3.11Å
438	N	39.6	Very low	31.5	Very low	40 Å²	40	95.3 Å²	95.3	21%	0.214	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-97	132.1	168.5	-76.7	-1.9	0	0	0	108.8	Q898 V899	N438-Q898 WeakPolarHBondContact CB-O 3.43Å; N438-Q898 PolarHBondContact ND2-O 3.47Å; N438-V899 HydrophobicContact CB-CG1 4.44Å
439	R	37.3	Very low	31.5	Very low	58 Å²	58	97.1 Å²	97.1	22%	0.219	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-88.7	144.1	173.2	-70.9	-147.9	-161.9	115.8	-4.1	110.8	H145 D185 T441 D442	H145-R439 PolarHBondContact NE2-NH1 3.11Å; D185-R439 IonicContact OD1-CZ 2.71Å; D185-R439 IonicContact OD1-NH1 2.79Å; D185-R439 PolarHBondContact OD1-NH1 3Å; D185-R439 IonicContact OD1-NH2 2.69Å; D185-R439 PolarHBondContact OD1-NH2 2.89Å; D185-R439 IonicContact OD2-CZ 2.71Å; D185-R439 IonicContact OD2-NH1 2.76Å; D185-R439 PolarHBondContact OD2-NH1 2.93Å; D185-R439 IonicContact OD2-NH2 3.18Å; D185-R439 PolarHBondContact OD2-NH2 3.16Å; R439-T441 WeakPolarHBondContact CD-OG1 3.28Å; R439-D442 IonicContact CZ-OD2 3.97Å; R439-D442 IonicContact NH1-OD1 2.66Å; R439-D442 IonicContact NH1-OD2 3.95Å; R439-D442 PolarHBondContact NH1-OD2 2.85Å
440	M	33.7	Very low	31.5	Very low	19 Å²	19	93.7 Å²	93.7	9%	0.094	49%	0.494	C	S	.	.	S	Bend	trans	-104.4	-10.6	167.2	-67.6	-163.7	77.5	0	0	113.4	D442 M444 V556 I858 A894 G895	M440-D442 PolarHBondContact O-N 3.02Å; M440-M444 HydrophobicContact CB-CE 4.47Å; M440-M444 WeakPolarHBondContact O-CG 3.14Å; M440-V556 HydrophobicContact CE-CG2 3.7Å; M440-I858 HydrophobicContact SD-CD1 4.49Å; M440-A894 HydrophobicContact CE-CB 4.42Å; M440-G895 VanDerWaalsContact CE-N 3.29Å; M440-G895 WeakPolarHBondContact SD-CA 3.39Å
441	T	33.7	Very low	31.6	Very low	42 Å²	42	97.6 Å²	97.6	26%	0.258	50%	0.502	S	S	.	.	S	Bend	trans	-64.1	-30.1	-177.2	43.1	0	0	0	0	112.7	R439 F445 D589	R439-T441 WeakPolarHBondContact CD-OG1 3.28Å; T441-F445 WeakPolarHBondContact O-CD2 3.42Å; T441-F445 WeakPolarHBondContact O-CE2 3.35Å; T441-D589 HydrophobicContact CG2-CB 4.03Å
442	D	34.1	Very low	32	Very low	53 Å²	53	93.1 Å²	93.1	28%	0.283	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-21.1	-163.3	-52.8	-3.9	0	0	0	110.6	H145 R439 M440	H145-D442 IonicContact CE1-OD2 2.85Å; H145-D442 IonicContact NE2-OD2 2.76Å; R439-D442 IonicContact CZ-OD2 3.97Å; R439-D442 IonicContact NH1-OD1 2.66Å; R439-D442 IonicContact NH1-OD2 3.95Å; R439-D442 PolarHBondContact NH1-OD2 2.85Å; M440-D442 PolarHBondContact O-N 3.02Å
443	S	34.5	Very low	31.9	Very low	9 Å²	9	88.8 Å²	88.8	6%	0.063	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	3.2	174.2	71	0	0	0	0	115.1	F445 D553 S554 P555	S443-F445 VanDerWaalsContact C-N 3.25Å; S443-F445 PolarHBondContact O-N 3.38Å; S443-D553 WeakPolarHBondContact CB-O 3.25Å; S443-S554 WeakPolarHBondContact CB-O 3.42Å; S443-S554 PolarHBondContact OG-O 2.97Å; S443-P555 WeakPolarHBondContact O-CA 3.48Å; S443-P555 WeakPolarHBondContact O-CB 3.46Å
444	M	32.2	Very low	32.3	Very low	47 Å²	47	95.2 Å²	95.2	23%	0.232	50%	0.498	C	S	.	.	S	Bend	trans	-75.6	-7.4	-179.3	-73.3	178.6	177.1	0	0	114.6	M440 V556 P591	M440-M444 HydrophobicContact CB-CE 4.47Å; M440-M444 WeakPolarHBondContact O-CG 3.14Å; M444-V556 HydrophobicContact CE-CG2 4.05Å; M444-V556 HydrophobicContact CG-CG2 4.09Å; M444-P591 HydrophobicContact CE-CB 4.17Å; M444-P591 HydrophobicContact CE-CG 3.65Å
445	F	34.1	Very low	32.2	Very low	73 Å²	73	92 Å²	92	32%	0.32	50%	0.498	S	S	.	.	S	Bend	trans	-115	-11	-160.2	-71	-83.7	0	0	0	116.4	P141 T441 S443 F563	P141-F445 HydrophobicContact CB-CD2 4.27Å; P141-F445 HydrophobicContact CB-CE1 4.16Å; P141-F445 HydrophobicContact CB-CE2 3.85Å; P141-F445 HydrophobicContact CB-CZ 3.8Å; P141-F445 HydrophobicContact CG-CE2 4.49Å; P141-F445 HydrophobicContact CG-CZ 4.45Å; T441-F445 WeakPolarHBondContact O-CD2 3.42Å; T441-F445 WeakPolarHBondContact O-CE2 3.35Å; S443-F445 VanDerWaalsContact C-N 3.25Å; S443-F445 PolarHBondContact O-N 3.38Å; F445-F563 AromaticContact CE1-CD1 3.58Å; F445-F563 HydrophobicContact CE1-CD1 3.58Å; F445-F563 AromaticContact CE1-CE1 4Å; F445-F563 HydrophobicContact CE1-CE1 4Å; F445-F563 HydrophobicContact CE1-CG 4.44Å; F445-F563 AromaticContact CZ-CD1 3.8Å; F445-F563 HydrophobicContact CZ-CD1 3.8Å; F445-F563 AromaticContact CZ-CE1 3.83Å; F445-F563 HydrophobicContact CZ-CE1 3.83Å
446	E	32.5	Very low	31.9	Very low	150 Å²	150	94.4 Å²	94.4	70%	0.701	52%	0.519	S	S	*	.	S	Bend	trans	-90.5	-20.4	-171.7	-65	-168.2	132.4	0	0	115.2	S448	E446-S448 VanDerWaalsContact C-N 3.34Å; E446-S448 PolarHBondContact O-N 2.82Å; E446-S448 VanDerWaalsContact O-N 3.12Å
447	T	31.5	Very low	31.8	Very low	103 Å²	103	96.8 Å²	96.8	63%	0.632	53%	0.534	S	S	*	.	S	Bend	trans	-83.5	19.5	-162.8	-1.2	0	0	0	0	117.2	P555	T447-P555 HydrophobicContact CG2-CB 4.41Å; T447-P555 HydrophobicContact CG2-CG 4.27Å
448	S	29.5	Very low	31.4	Very low	65 Å²	65	98.9 Å²	98.9	46%	0.455	55%	0.554	S	S	.	*			trans	-143.9	35.6	-164.6	59	0	0	0	0	117.3	E446 A564	E446-S448 VanDerWaalsContact C-N 3.34Å; E446-S448 PolarHBondContact O-N 2.82Å; E446-S448 VanDerWaalsContact O-N 3.12Å; S448-A564 VanDerWaalsContact OG-CB 3.31Å; S448-A564 WeakPolarHBondContact OG-CB 3.26Å
449	I	27.6	Very low	30.8	Very low	163 Å²	163	102.7 Å²	102.7	84%	0.836	58%	0.584	S	S	*	*			trans	-126.5	62.2	171.9	-46	-177.3	0	0	0	111.3
450	S	28	Very low	30.3	Very low	99 Å²	99	106.9 Å²	106.9	69%	0.692	61%	0.608	S	S	*	*			trans	-158.6	76.2	170.7	49.6	0	0	0	0	113.6
451	H	31.2	Very low	30	Very low	199 Å²	199	114.7 Å²	114.7	92%	0.921	64%	0.642	S	S	*	*				-179.5	155.1	121.1	-98.6	-70.7	0	0	0	112.1
452	N	33	Very low	29.9	Very low	157 Å²	157	117.4 Å²	117.4	84%	0.84	66%	0.66	S	S	*	*			trans	-87.8	163.1	-171	-91.8	-47.2	0	0	0	114.2
453	N	26.6	Very low	29.5	Very low	144 Å²	144	122.3 Å²	122.3	77%	0.77	69%	0.686	S	S	*	*			trans	-56.6	161.5	165.8	-81	-57.2	0	0	0	113.3
454	K	34.1	Very low	29.4	Very low	211 Å²	211	131.4 Å²	131.4	92%	0.917	73%	0.728	S	S	*	*			trans	81.3	142.7	178.1	-48.7	168.9	-174.3	177.6	0	114
455	G	27.8	Very low	29	Very low	70 Å²	70	140.1 Å²	140.1	72%	0.722	76%	0.758	S	S	*	*			cis	160.7	76.6	-5.4	0	0	0	0	0	115.4
456	C	24.3	Very low	28.8	Very low	125 Å²	125	148 Å²	148	85%	0.845	79%	0.786	S	S	*	*			trans	70.6	168.2	165.3	-142	0	0	0	0	118.6
457	T	27.9	Very low	28.5	Very low	132 Å²	132	146.2 Å²	146.2	81%	0.81	79%	0.785	S	S	*	*			trans	62.2	121.5	169.3	49.5	0	0	0	0	119.9
458	S	25.4	Very low	28.3	Very low	117 Å²	117	149.5 Å²	149.5	82%	0.818	79%	0.791	S	S	*	*			trans	-73.2	147.8	176.5	50.9	0	0	0	0	115.9
459	S	27.9	Very low	28.4	Very low	120 Å²	120	156.2 Å²	156.2	84%	0.839	81%	0.808	S	S	*	*				-167.5	161.6	124.8	57.7	0	0	0	0	113.2
460	M	25.8	Very low	28.4	Very low	147 Å²	147	158.6 Å²	158.6	72%	0.724	81%	0.806	S	S	*	*			trans	-54.2	153.6	177.7	-55.5	151.8	79	0	0	112.1
461	F	29.2	Very low	28.6	Very low	183 Å²	183	158.4 Å²	158.4	80%	0.803	80%	0.804	S	S	*	*				-164	172	58.6	-87.2	-84.7	0	0	0	112.6
462	P	30.1	Very low	28.7	Very low	99 Å²	99	153.6 Å²	153.6	64%	0.643	79%	0.786	S	S	*	*			trans	-111.2	169.9	-171	41.1	-33.7	0	0	0	116.7
463	N	26.9	Very low	28.7	Very low	156 Å²	156	155.1 Å²	155.1	83%	0.834	78%	0.779	S	S	*	*			trans	66.8	119.6	161.7	-70.4	-31.6	0	0	0	119.9
464	E	31	Very low	28.9	Very low	199 Å²	199	155 Å²	155	93%	0.93	77%	0.774	S	S	*	*				-152.1	160.7	127.7	-130.4	175.9	-157.7	0	0	112.3
465	R	25.3	Very low	28.8	Very low	230 Å²	230	152.3 Å²	152.3	87%	0.868	77%	0.769	S	S	*	*			trans	-133.5	138.4	175.3	-55.8	-179.9	-172.5	-177.5	2.5	109.3
466	R	28.4	Very low	28.9	Very low	239 Å²	239	152.8 Å²	152.8	90%	0.902	76%	0.761	S	S	*	*			trans	178.9	117.4	131.2	-99.4	156.4	-175.3	-167.7	3	116.3
467	V	27.6	Very low	29.2	Very low	113 Å²	113	155.4 Å²	155.4	69%	0.685	76%	0.761	S	S	*	*				32.7	147.9	125.2	-152.7	0	0	0	0	122.3
468	F	26.8	Very low	29.3	Very low	171 Å²	171	153.4 Å²	153.4	75%	0.75	75%	0.752	S	S	*	*			trans	101.1	150.9	159.1	-62.4	-71.2	0	0	0	116.5
469	Y	30.9	Very low	29.4	Very low	207 Å²	207	155 Å²	155	81%	0.812	75%	0.752	S	S	*	*			cis	-134.6	172.8	18.3	-127	-83.2	0	0	0	115.2
470	R	28.6	Very low	29.3	Very low	213 Å²	213	154.3 Å²	154.3	80%	0.804	75%	0.746	S	S	*	*			trans	-81.6	-173.2	166.5	-73.4	178.9	165.2	170.3	-5.8	110.7
471	S	31.7	Very low	29.3	Very low	94 Å²	94	156 Å²	156	66%	0.657	75%	0.75	S	S	*	*			cis	-172.7	-177.8	33.3	-31.4	0	0	0	0	109.8
472	D	34.4	Very low	29.2	Very low	98 Å²	98	159 Å²	159	52%	0.524	76%	0.756	S	S	.	*			cis	-171.4	162.3	-13.5	-127	-19.9	0	0	0	110.2
473	R	32.3	Very low	29	Very low	189 Å²	189	162.3 Å²	162.3	71%	0.713	76%	0.763	S	S	*	*			trans	64.4	158.9	141.4	-69	168	-156	-121.1	9.2	121
474	H	31.5	Very low	28.9	Very low	141 Å²	141	165.8 Å²	165.8	65%	0.653	76%	0.764	S	S	*	*			cis	-159.3	178.5	-2.5	-121.9	-32.9	0	0	0	113.1
475	L	32.1	Very low	28.8	Very low	155 Å²	155	162.4 Å²	162.4	81%	0.812	76%	0.758	S	S	*	*			trans	75	152.7	163.9	-59.3	129.6	0	0	0	119.8
476	S	29.5	Very low	29	Very low	80 Å²	80	157.4 Å²	157.4	56%	0.559	75%	0.748	S	S	*	*			cis	-174.8	142	-43.3	62.9	0	0	0	0	112.2
477	H	30.3	Very low	29.2	Very low	180 Å²	180	151.3 Å²	151.3	83%	0.833	74%	0.737	S	S	*	*			trans	62	154.1	161.9	-61.6	111.4	0	0	0	118
478	S	29.2	Very low	29.5	Very low	90 Å²	90	152 Å²	152	63%	0.629	74%	0.736	S	S	*	*			cis	-161.5	168.6	-22.5	55.1	0	0	0	0	111.2
479	N	27.9	Very low	29.7	Very low	152 Å²	152	148 Å²	148	81%	0.813	73%	0.725	S	S	*	*			trans	68	117.7	153.9	-68.7	-6.3	0	0	0	123
480	S	26.8	Very low	29.8	Very low	104 Å²	104	142.1 Å²	142.1	73%	0.727	71%	0.711	S	S	*	*				96.2	118.6	126.5	-152.6	0	0	0	0	121.8
481	F	24.3	Very low	30.1	Very low	184 Å²	184	135.3 Å²	135.3	81%	0.807	69%	0.69	S	S	*	*			trans	43.8	104.7	143	-82.7	-100.8	0	0	0	120.9
482	R	26.9	Very low	30.1	Very low	244 Å²	244	133.1 Å²	133.1	92%	0.921	68%	0.677	S	S	*	*				-173.3	173.3	98.3	-99.4	165.2	-177.4	-168.5	-0.3	113.8
483	H	26.3	Very low	30	Very low	170 Å²	170	133.4 Å²	133.4	79%	0.787	68%	0.679	S	S	*	*			trans	-83.7	154.7	-159.1	-85.4	-61.8	0	0	0	117.7
484	R	25.4	Very low	30.3	Very low	228 Å²	228	129.7 Å²	129.7	86%	0.86	67%	0.674	S	S	*	*	S	Bend	trans	61.6	80.5	143.7	-72.1	176.7	170.4	-170.2	-2	119.4
485	T	28	Very low	30.6	Very low	129 Å²	129	126.3 Å²	126.3	79%	0.791	66%	0.659	S	S	*	*			trans	-156.2	-22.4	149.2	2	0	0	0	0	117.8	V487	T485-V487 PolarHBondContact O-N 2.8Å
486	N	29.3	Very low	30.7	Very low	124 Å²	124	122.7 Å²	122.7	66%	0.663	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	23.2	-154.8	-69.1	-1.6	0	0	0	118.4
487	V	33.5	Very low	31	Very low	111 Å²	111	123.3 Å²	123.3	67%	0.673	65%	0.651	S	S	*	*	H	α-helix	trans	-71.5	-32.6	-176.4	-178.7	0	0	0	0	113.2	T485 L491	T485-V487 PolarHBondContact O-N 2.8Å; V487-L491 HydrophobicContact CG1-CD1 4.4Å
488	I	33.4	Very low	31.3	Very low	128 Å²	128	118.1 Å²	118.1	66%	0.656	63%	0.632	S	S	*	*	H	α-helix	trans	-72.9	-37.2	-170.7	-61.6	175.5	0	0	0	112.4
489	T	32.3	Very low	31.5	Very low	88 Å²	88	118 Å²	118	54%	0.54	63%	0.632	S	S	.	*	H	α-helix	trans	-70.2	-37.1	-174	-38.8	0	0	0	0	112.8	L491 A492 N493	T489-L491 VanDerWaalsContact C-N 3.35Å; T489-L491 PolarHBondContact O-N 3.46Å; T489-A492 PolarHBondContact O-N 3.16Å; T489-N493 PolarHBondContact O-N 3.03Å
490	T	32.6	Very low	31.7	Very low	82 Å²	82	118.4 Å²	118.4	50%	0.503	63%	0.634	S	S	.	*	H	α-helix	trans	-69.5	-33.1	-178.5	-41.8	0	0	0	0	112.2	N493 N494	T490-N493 PolarHBondContact O-N 3Å; T490-N494 PolarHBondContact O-N 3.36Å
491	L	34.4	Very low	31.8	Very low	71 Å²	71	116.3 Å²	116.3	37%	0.372	63%	0.629	S	S	.	*	H	α-helix	trans	-65.3	-40.4	175.3	-93.4	152.4	0	0	0	112.2	V487 T489 N494 I495 V538	V487-L491 HydrophobicContact CG1-CD1 4.4Å; T489-L491 VanDerWaalsContact C-N 3.35Å; T489-L491 PolarHBondContact O-N 3.46Å; L491-N494 PolarHBondContact O-N 2.78Å; L491-I495 WeakPolarHBondContact O-CD1 3.5Å; L491-I495 VanDerWaalsContact O-CG1 3.26Å; L491-I495 WeakPolarHBondContact O-CG1 3.42Å; L491-I495 PolarHBondContact O-N 3.22Å; L491-V538 HydrophobicContact CD2-CG1 4.49Å
492	A	32	Very low	31.9	Very low	47 Å²	47	113.8 Å²	113.8	39%	0.388	63%	0.633	S	S	.	*	H	α-helix	trans	-61.2	-46.8	176.3	0	0	0	0	0	111.8	T489 N494 I495 S496	T489-A492 PolarHBondContact O-N 3.16Å; A492-N494 VanDerWaalsContact C-N 3.34Å; A492-N494 PolarHBondContact O-N 3.05Å; A492-I495 PolarHBondContact O-N 3.45Å; A492-I495 VanDerWaalsContact O-N 3.14Å; A492-S496 PolarHBondContact O-N 3.46Å; A492-S496 PolarHBondContact O-OG 2.79Å
493	N	32.2	Very low	32	Very low	104 Å²	104	108.7 Å²	108.7	56%	0.556	62%	0.623	S	S	*	*	H	α-helix	trans	-67.2	-33	-177	-67.6	2.4	0	0	0	113	T489 T490 I495 S496	T489-N493 PolarHBondContact O-N 3.03Å; T490-N493 PolarHBondContact O-N 3Å; N493-I495 VanDerWaalsContact C-N 3.34Å; N493-S496 WeakPolarHBondContact CA-OG 3.26Å; N493-S496 PolarHBondContact O-OG 3.28Å
494	N	37.5	Very low	32.2	Very low	112 Å²	112	109.5 Å²	109.5	60%	0.599	62%	0.621	S	S	*	*	H	α-helix	trans	-79.4	-14	175.4	-70.6	3.7	0	0	0	113.5	T490 L491 A492 S497	T490-N494 PolarHBondContact O-N 3.36Å; L491-N494 PolarHBondContact O-N 2.78Å; A492-N494 VanDerWaalsContact C-N 3.34Å; A492-N494 PolarHBondContact O-N 3.05Å; N494-S497 PolarHBondContact O-OG 3.49Å; N494-S497 VanDerWaalsContact O-OG 3.1Å
495	I	38.1	Very low	32.2	Very low	69 Å²	69	102.6 Å²	102.6	35%	0.354	61%	0.607	S	S	.	*	H	α-helix	trans	-91	-29.1	173.5	-68.8	167.6	0	0	0	110.6	L491 A492 N493 S497 V498	L491-I495 WeakPolarHBondContact O-CD1 3.5Å; L491-I495 VanDerWaalsContact O-CG1 3.26Å; L491-I495 WeakPolarHBondContact O-CG1 3.42Å; L491-I495 PolarHBondContact O-N 3.22Å; A492-I495 PolarHBondContact O-N 3.45Å; A492-I495 VanDerWaalsContact O-N 3.14Å; N493-I495 VanDerWaalsContact C-N 3.34Å; I495-S497 PolarHBondContact O-N 3.29Å; I495-S497 VanDerWaalsContact O-N 3.11Å; I495-V498 WeakPolarHBondContact O-CB 3.25Å; I495-V498 PolarHBondContact O-N 3.05Å
496	S	34.3	Very low	32.1	Very low	79 Å²	79	103 Å²	103	55%	0.552	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-9	176.8	47	0	0	0	0	115.7	A492 N493 S499	A492-S496 PolarHBondContact O-N 3.46Å; A492-S496 PolarHBondContact O-OG 2.79Å; N493-S496 WeakPolarHBondContact CA-OG 3.26Å; N493-S496 PolarHBondContact O-OG 3.28Å; S496-S499 PolarHBondContact O-OG 3.05Å
497	S	35.3	Very low	32.2	Very low	93 Å²	93	104.9 Å²	104.9	65%	0.65	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-18.4	168.5	44.9	0	0	0	0	113.8	N494 I495	N494-S497 PolarHBondContact O-OG 3.49Å; N494-S497 VanDerWaalsContact O-OG 3.1Å; I495-S497 PolarHBondContact O-N 3.29Å; I495-S497 VanDerWaalsContact O-N 3.11Å
498	V	38.4	Very low	31.8	Very low	72 Å²	72	106.1 Å²	106.1	44%	0.436	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.5	-17.1	-174.1	-173.3	0	0	0	0	112.1	I495 N500	I495-V498 WeakPolarHBondContact O-CB 3.25Å; I495-V498 PolarHBondContact O-N 3.05Å; V498-N500 PolarHBondContact O-N 2.91Å
499	S	33.5	Very low	31.5	Very low	88 Å²	88	106.3 Å²	106.3	62%	0.615	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	8.3	-169.9	63	0	0	0	0	116.2	S496	S496-S499 PolarHBondContact O-OG 3.05Å
500	N	31.3	Very low	31.3	Very low	160 Å²	160	107.2 Å²	107.2	86%	0.856	64%	0.64	S	S	*	*	S	Bend	trans	-142.5	54.3	-179.6	-89.1	-43.4	0	0	0	112.6	V498	V498-N500 PolarHBondContact O-N 2.91Å
501	G	28.1	Very low	31.3	Very low	60 Å²	60	105.7 Å²	105.7	62%	0.619	63%	0.633	S	S	*	*			trans	-125.1	102.6	179	0	0	0	0	0	113.5	I503	G501-I503 VanDerWaalsContact C-N 3.28Å; G501-I503 PolarHBondContact O-N 2.85Å
502	S	27.9	Very low	31.4	Very low	130 Å²	130	110.2 Å²	110.2	91%	0.909	65%	0.649	S	S	*	*			trans	-78.5	68.1	177.5	176.3	0	0	0	0	112.3
503	I	27.3	Very low	31.7	Very low	138 Å²	138	113.2 Å²	113.2	71%	0.708	66%	0.659	S	S	*	*			trans	-127	61.9	-179	-41.9	-177.8	0	0	0	112	G501	G501-I503 VanDerWaalsContact C-N 3.28Å; G501-I503 PolarHBondContact O-N 2.85Å
504	Y	30.9	Very low	32.5	Very low	186 Å²	186	115.4 Å²	115.4	73%	0.729	67%	0.666	S	S	*	*			trans	-133.7	69	150.9	-81	-77.2	0	0	0	108.4
505	S	26.4	Very low	33.4	Very low	83 Å²	83	114.8 Å²	114.8	58%	0.58	66%	0.662	S	S	*	*			trans	-59.4	146.9	168	48.2	0	0	0	0	109.8	H507	S505-H507 PolarHBondContact O-N 2.67Å
506	T	26	Very low	34.8	Very low	139 Å²	139	113.1 Å²	113.1	85%	0.853	65%	0.651	S	S	*	*			trans	-65.4	92.7	178	48.8	0	0	0	0	110.3	N508	T506-N508 PolarHBondContact O-N 3.06Å
507	H	29.9	Very low	36.9	Very low	163 Å²	163	111.8 Å²	111.8	76%	0.755	64%	0.64	S	S	*	*			trans	-63.8	132.3	175.5	-94.2	-98.5	0	0	0	110.6	S505	S505-H507 PolarHBondContact O-N 2.67Å
508	N	26	Very low	39.2	Very low	136 Å²	136	107.4 Å²	107.4	73%	0.727	61%	0.609	S	S	*	*			trans	-59.2	153.8	-178	-83.5	-34.7	0	0	0	112.3	T506 S510	T506-N508 PolarHBondContact O-N 3.06Å; N508-S510 PolarHBondContact O-N 3.46Å
509	S	27.2	Very low	41.4	Very low	132 Å²	132	106.6 Å²	106.6	92%	0.923	60%	0.602	S	S	*	*	S	Bend	trans	-75	45.6	-169.3	58.9	0	0	0	0	115
510	S	28.1	Very low	43.9	Very low	107 Å²	107	107.2 Å²	107.2	75%	0.748	60%	0.604	S	S	*	*	S	Bend	trans	-129.2	9.8	-169.2	64	0	0	0	0	116	N508	N508-S510 PolarHBondContact O-N 3.46Å
511	S	31.9	Very low	46.5	Very low	51 Å²	51	107 Å²	107	36%	0.357	60%	0.602	S	S	.	*			trans	-146.1	64.1	-177.8	60	0	0	0	0	113.5	D513	S511-D513 PolarHBondContact O-N 3.05Å
512	K	37.9	Very low	49.3	Very low	166 Å²	166	105.1 Å²	105.1	72%	0.722	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-62.7	-24.5	179.3	-77	-172.9	175.7	-178.5	0	114.1	Q514 Y516	K512-Q514 VanDerWaalsContact C-N 3.34Å; K512-Q514 PolarHBondContact O-N 3.01Å; K512-Y516 VanDerWaalsContact O-CE2 3.22Å; K512-Y516 WeakPolarHBondContact O-CE2 3.46Å
513	D	37.4	Very low	52.1	Low	110 Å²	110	106.7 Å²	106.7	59%	0.588	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-75.9	-18.8	-170.1	-51.1	-43.6	0	0	0	113.9	S511	S511-D513 PolarHBondContact O-N 3.05Å
514	Q	48.8	Very low	55.2	Low	149 Å²	149	102.2 Å²	102.2	70%	0.696	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-82.6	-9.2	-176.7	-69	-174.1	-10.9	0	0	114.5	K512 Y516	K512-Q514 VanDerWaalsContact C-N 3.34Å; K512-Q514 PolarHBondContact O-N 3.01Å; Q514-Y516 PolarHBondContact O-N 2.99Å
515	L	55.9	Low	58.2	Low	100 Å²	100	96.1 Å²	96.1	52%	0.524	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-72.5	-9.5	-172.3	-84	159.4	0	0	0	115.3	R888	L515-R888 PolarHBondContact O-NH1 2.79Å
516	Y	67.8	Low	61.5	Low	34 Å²	34	93.8 Å²	93.8	13%	0.133	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-115	-9.5	-165.5	-43.8	-72.8	0	0	0	115.5	K512 Q514 D612 P617	K512-Y516 VanDerWaalsContact O-CE2 3.22Å; K512-Y516 WeakPolarHBondContact O-CE2 3.46Å; Q514-Y516 PolarHBondContact O-N 2.99Å; Y516-D612 HydrophobicContact CE1-CB 4.35Å; Y516-P617 HydrophobicContact CE1-CB 4.44Å; Y516-P617 HydrophobicContact CE1-CG 3.99Å; Y516-P617 HydrophobicContact CE2-CG 4.44Å
517	V	79.6	Confident	64.9	Low	50 Å²	50	88 Å²	88	30%	0.303	47%	0.473	S	S	.	.	S	Bend	trans	-95.1	175.7	176.8	-69.4	0	0	0	0	111.7	E877	V517-E877 WeakPolarHBondContact CA-OE1 3.3Å; V517-E877 VanDerWaalsContact CB-OE1 3.24Å; V517-E877 WeakPolarHBondContact CB-OE1 3.47Å
518	T	82	Confident	68	Low	1 Å²	1	81.1 Å²	81.1	1%	0.006	44%	0.443	C	S	.	.			trans	-70.4	129.1	164.8	62.3	0	0	0	0	110.5	P520 R525 Q873 E877	T518-P520 WeakPolarHBondContact O-CD 3.26Å; T518-R525 PolarHBondContact OG1-NE 3.13Å; T518-R525 PolarHBondContact OG1-NH2 3.33Å; T518-R525 VanDerWaalsContact OG1-NH2 3.09Å; T518-Q873 HydrophobicContact CG2-CB 3.95Å; T518-Q873 VanDerWaalsContact CG2-CD 3.46Å; T518-Q873 HydrophobicContact CG2-CG 3.9Å; T518-E877 VanDerWaalsContact CB-OE2 3.27Å; T518-E877 WeakPolarHBondContact CB-OE2 3.49Å; T518-E877 WeakPolarHBondContact CG2-OE2 3.41Å; T518-E877 PolarHBondContact N-OE1 3.02Å; T518-E877 PolarHBondContact N-OE2 2.59Å; T518-E877 PolarHBondContact OG1-OE2 3.46Å
519	N	85.5	Confident	71.3	Confident	56 Å²	56	77.6 Å²	77.6	30%	0.299	43%	0.429	S	S	.	.			trans	-68.5	112	177.4	171.9	11.2	0	0	0	110.6	L521 S522 R525	N519-L521 PolarHBondContact O-N 3.02Å; N519-L521 PolarHBondContact OD1-N 2.72Å; N519-S522 WeakPolarHBondContact O-CB 3.16Å; N519-S522 PolarHBondContact O-N 2.5Å; N519-R525 WeakPolarHBondContact O-CD 3.48Å
520	P	86.2	Confident	74.5	Confident	100 Å²	100	76.3 Å²	76.3	65%	0.649	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.6	-175.4	-22.3	35.6	0	0	0	114.9	T518	T518-P520 WeakPolarHBondContact O-CD 3.26Å
521	L	85.6	Confident	77.8	Confident	157 Å²	157	71.4 Å²	71.4	82%	0.822	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	2.8	178.1	-56.6	177.3	0	0	0	113.3	N519	N519-L521 PolarHBondContact O-N 3.02Å; N519-L521 PolarHBondContact OD1-N 2.72Å
522	S	86.7	Confident	80.8	Confident	20 Å²	20	69.4 Å²	69.4	14%	0.14	36%	0.359	C	S	.	.			trans	-79.2	126.5	-179.7	-175.7	0	0	0	0	111.8	N519 T524 R525 D881	N519-S522 WeakPolarHBondContact O-CB 3.16Å; N519-S522 PolarHBondContact O-N 2.5Å; S522-T524 PolarHBondContact O-N 3.09Å; S522-T524 PolarHBondContact OG-OG1 2.76Å; S522-R525 WeakPolarHBondContact O-CB 3.3Å; S522-R525 PolarHBondContact O-N 3.16Å; S522-D881 WeakPolarHBondContact CB-OD2 3.49Å; S522-D881 PolarHBondContact OG-OD2 3.22Å
523	E	87.9	Confident	83.5	Confident	162 Å²	162	65.8 Å²	65.8	76%	0.757	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.3	177.4	-60.1	-176.8	168.7	0	0	113.2
524	T	91.4	Very high	86.2	Confident	44 Å²	44	63.8 Å²	63.8	27%	0.27	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	0.8	179.3	51	0	0	0	0	114.2	S522 D881 P883	S522-T524 PolarHBondContact O-N 3.09Å; S522-T524 PolarHBondContact OG-OG1 2.76Å; T524-D881 WeakPolarHBondContact CB-OD1 3.42Å; T524-D881 VanDerWaalsContact OG1-CG 3.24Å; T524-D881 PolarHBondContact OG1-OD1 3.38Å; T524-D881 PolarHBondContact OG1-OD2 2.71Å; T524-D881 VanDerWaalsContact OG1-OD2 3.05Å; T524-P883 HydrophobicContact CG2-CB 3.91Å; T524-P883 HydrophobicContact CG2-CG 3.84Å
525	R	94.7	Very high	88.3	Confident	58 Å²	58	57.2 Å²	57.2	22%	0.219	31%	0.305	C	S	.	.			trans	-78.1	128.5	176	178.4	179.8	-173.8	-77.5	-6	110.9	T518 N519 S522 Y879 D881	T518-R525 PolarHBondContact OG1-NE 3.13Å; T518-R525 PolarHBondContact OG1-NH2 3.33Å; T518-R525 VanDerWaalsContact OG1-NH2 3.09Å; N519-R525 WeakPolarHBondContact O-CD 3.48Å; S522-R525 WeakPolarHBondContact O-CB 3.3Å; S522-R525 PolarHBondContact O-N 3.16Å; R525-Y879 VanDerWaalsContact NH1-CE1 3.32Å; R525-D881 HydrophobicContact CB-CB 4.27Å; R525-D881 PolarHBondContact N-OD2 3.27Å
526	L	95.3	Very high	90.1	Very high	34 Å²	34	58.7 Å²	58.7	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.2	-178.5	-60.2	170.2	0	0	0	110.2	E530 F531 R534 Y879 L880	L526-E530 HydrophobicContact CB-CB 4.23Å; L526-E530 HydrophobicContact CD2-CB 4.29Å; L526-F531 HydrophobicContact CB-CB 4.1Å; L526-F531 HydrophobicContact CD1-CB 4.41Å; L526-F531 HydrophobicContact CD1-CD2 4.28Å; L526-R534 HydrophobicContact CD1-CB 4.41Å; L526-Y879 CarbonylContact O-C 3.51Å; L526-Y879 VanDerWaalsContact O-CA 3.24Å; L526-Y879 WeakPolarHBondContact O-CA 3.38Å; L526-L880 PolarHBondContact N-O 3.47Å; L526-L880 PolarHBondContact O-N 3.24Å
527	S	96.3	Very high	91.2	Very high	18 Å²	18	61.4 Å²	61.4	13%	0.126	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	161.6	162.5	65.9	0	0	0	0	110.5	S529 E530 F531 G878 Y879	S527-S529 VanDerWaalsContact C-N 3.27Å; S527-S529 PolarHBondContact O-N 3.05Å; S527-S529 PolarHBondContact OG-OG 3.18Å; S527-E530 VanDerWaalsContact CB-OE2 3.23Å; S527-E530 WeakPolarHBondContact CB-OE2 3.5Å; S527-E530 PolarHBondContact N-OE2 3.06Å; S527-E530 PolarHBondContact O-N 3.13Å; S527-E530 VanDerWaalsContact OG-CD 3.23Å; S527-E530 VanDerWaalsContact OG-CG 3.27Å; S527-E530 WeakPolarHBondContact OG-CG 3.4Å; S527-E530 PolarHBondContact OG-N 3.08Å; S527-E530 PolarHBondContact OG-OE2 3.07Å; S527-F531 VanDerWaalsContact O-CB 3.26Å; S527-F531 WeakPolarHBondContact O-CB 3.49Å; S527-F531 PolarHBondContact O-N 2.92Å; S527-G878 WeakPolarHBondContact CA-O 3.49Å; S527-Y879 VanDerWaalsContact CA-CD1 3.49Å
528	V	95.9	Very high	91.7	Very high	18 Å²	18	60 Å²	60	11%	0.109	33%	0.325	C	S	.	.	H	α-helix	trans	-57	-38.2	-179.6	171.5	0	0	0	0	112.9	I532 A874 G878 L880 L914	V528-I532 HydrophobicContact CG1-CD1 3.85Å; V528-I532 WeakPolarHBondContact O-CD1 3.35Å; V528-I532 VanDerWaalsContact O-CG1 3.28Å; V528-I532 WeakPolarHBondContact O-CG1 3.22Å; V528-I532 PolarHBondContact O-N 2.92Å; V528-I532 VanDerWaalsContact O-N 3.08Å; V528-A874 HydrophobicContact CG2-CB 3.84Å; V528-G878 PolarHBondContact N-O 3.12Å; V528-G878 VanDerWaalsContact N-O 3.09Å; V528-L880 HydrophobicContact CG2-CD2 4.1Å; V528-L914 HydrophobicContact CG1-CB 3.86Å; V528-L914 HydrophobicContact CG1-CD1 4.15Å; V528-L914 HydrophobicContact CG1-CD2 4.31Å; V528-L914 HydrophobicContact CG1-CG 4.33Å; V528-L914 HydrophobicContact CG2-CD1 4.35Å; V528-L914 HydrophobicContact CG2-CD2 4.43Å
529	S	94.6	Very high	92	Very high	63 Å²	63	61.2 Å²	61.2	44%	0.441	34%	0.338	S	S	.	.	H	α-helix	trans	-70.5	-43.7	177.7	43.6	0	0	0	0	112.8	S527 F531 T533	S527-S529 VanDerWaalsContact C-N 3.27Å; S527-S529 PolarHBondContact O-N 3.05Å; S527-S529 PolarHBondContact OG-OG 3.18Å; S529-F531 VanDerWaalsContact C-N 3.34Å; S529-T533 WeakPolarHBondContact O-CB 3.4Å; S529-T533 PolarHBondContact O-N 2.93Å; S529-T533 PolarHBondContact O-OG1 2.88Å
530	E	95.6	Very high	92	Very high	104 Å²	104	61.6 Å²	61.6	49%	0.486	35%	0.345	S	S	.	.	H	α-helix	trans	-63.2	-41.5	174.5	-69.1	165.6	130.6	0	0	111.3	L526 S527 T533 R534	L526-E530 HydrophobicContact CB-CB 4.23Å; L526-E530 HydrophobicContact CD2-CB 4.29Å; S527-E530 VanDerWaalsContact CB-OE2 3.23Å; S527-E530 WeakPolarHBondContact CB-OE2 3.5Å; S527-E530 PolarHBondContact N-OE2 3.06Å; S527-E530 PolarHBondContact O-N 3.13Å; S527-E530 VanDerWaalsContact OG-CD 3.23Å; S527-E530 VanDerWaalsContact OG-CG 3.27Å; S527-E530 WeakPolarHBondContact OG-CG 3.4Å; S527-E530 PolarHBondContact OG-N 3.08Å; S527-E530 PolarHBondContact OG-OE2 3.07Å; E530-T533 PolarHBondContact O-N 3.07Å; E530-R534 WeakPolarHBondContact O-CB 3.49Å; E530-R534 PolarHBondContact O-N 3.5Å
531	F	96.7	Very high	91.8	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-59.4	-50.8	177	178.3	-92.2	0	0	0	112	L526 S527 S529 T533 R534 V535 L880 V882 H907 L910 V911	L526-F531 HydrophobicContact CB-CB 4.1Å; L526-F531 HydrophobicContact CD1-CB 4.41Å; L526-F531 HydrophobicContact CD1-CD2 4.28Å; S527-F531 VanDerWaalsContact O-CB 3.26Å; S527-F531 WeakPolarHBondContact O-CB 3.49Å; S527-F531 PolarHBondContact O-N 2.92Å; S529-F531 VanDerWaalsContact C-N 3.34Å; F531-T533 PolarHBondContact O-N 3.32Å; F531-R534 PolarHBondContact O-N 2.85Å; F531-V535 HydrophobicContact CD1-CG2 4.47Å; F531-V535 HydrophobicContact CE1-CG2 4.15Å; F531-V535 HydrophobicContact CE2-CG2 4.19Å; F531-V535 HydrophobicContact CZ-CG2 4Å; F531-V535 WeakPolarHBondContact O-CB 3.41Å; F531-V535 WeakPolarHBondContact O-CG2 3.5Å; F531-V535 PolarHBondContact O-N 3.26Å; F531-L880 HydrophobicContact CB-CD2 3.8Å; F531-L880 HydrophobicContact CD1-CD1 4.07Å; F531-L880 HydrophobicContact CD1-CD2 4.34Å; F531-L880 HydrophobicContact CD2-CD1 3.76Å; F531-L880 HydrophobicContact CD2-CD2 4.06Å; F531-L880 HydrophobicContact CD2-CG 3.83Å; F531-L880 HydrophobicContact CE1-CD1 3.99Å; F531-L880 HydrophobicContact CE2-CD1 3.67Å; F531-L880 HydrophobicContact CE2-CG 4.18Å; F531-L880 HydrophobicContact CG-CD1 3.96Å; F531-L880 HydrophobicContact CG-CD2 3.81Å; F531-L880 HydrophobicContact CG-CG 4.07Å; F531-L880 HydrophobicContact CZ-CD1 3.8Å; F531-V882 HydrophobicContact CE2-CG2 3.83Å; F531-V882 HydrophobicContact CZ-CG2 4.3Å; F531-H907 AromaticContact CE2-CE1 3.73Å; F531-H907 AromaticContact CE2-ND1 3.25Å; F531-H907 VanDerWaalsContact CE2-ND1 3.25Å; F531-H907 WeakPolarHBondContact CE2-ND1 3.4Å; F531-H907 HydrophobicContact CZ-CB 4.46Å; F531-H907 AromaticContact CZ-ND1 3.36Å; F531-H907 WeakPolarHBondContact CZ-ND1 3.24Å; F531-L910 HydrophobicContact CE1-CB 3.59Å; F531-L910 HydrophobicContact CZ-CB 3.73Å; F531-L910 HydrophobicContact CZ-CD1 3.87Å; F531-L910 HydrophobicContact CZ-CG 4.47Å; F531-V911 HydrophobicContact CD1-CG2 4.09Å; F531-V911 HydrophobicContact CE1-CG2 3.71Å
532	I	95.5	Very high	91.8	Very high	10 Å²	10	56 Å²	56	5%	0.051	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-49.4	177.6	-71	164.2	0	0	0	110.4	V528 R534 V535 Q536 V911 L914	V528-I532 HydrophobicContact CG1-CD1 3.85Å; V528-I532 WeakPolarHBondContact O-CD1 3.35Å; V528-I532 VanDerWaalsContact O-CG1 3.28Å; V528-I532 WeakPolarHBondContact O-CG1 3.22Å; V528-I532 PolarHBondContact O-N 2.92Å; V528-I532 VanDerWaalsContact O-N 3.08Å; I532-R534 VanDerWaalsContact C-N 3.35Å; I532-R534 PolarHBondContact O-N 2.93Å; I532-V535 PolarHBondContact O-N 3.06Å; I532-Q536 WeakPolarHBondContact O-CB 3.49Å; I532-Q536 VanDerWaalsContact O-CG 3.25Å; I532-Q536 WeakPolarHBondContact O-CG 3.41Å; I532-Q536 PolarHBondContact O-N 3.35Å; I532-V911 HydrophobicContact CG1-CG1 4.44Å; I532-V911 HydrophobicContact CG1-CG2 4.25Å; I532-V911 HydrophobicContact CG2-CG1 4.35Å; I532-L914 HydrophobicContact CD1-CB 4.04Å
533	T	94.6	Very high	92	Very high	89 Å²	89	55.1 Å²	55.1	55%	0.546	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-41.7	179.6	-52.7	0	0	0	0	112	S529 E530 F531 S537	S529-T533 WeakPolarHBondContact O-CB 3.4Å; S529-T533 PolarHBondContact O-N 2.93Å; S529-T533 PolarHBondContact O-OG1 2.88Å; E530-T533 PolarHBondContact O-N 3.07Å; F531-T533 PolarHBondContact O-N 3.32Å; T533-S537 WeakPolarHBondContact O-CB 3.38Å; T533-S537 PolarHBondContact O-N 2.75Å; T533-S537 VanDerWaalsContact O-N 3.09Å; T533-S537 PolarHBondContact O-OG 2.8Å
534	R	94.3	Very high	91.7	Very high	68 Å²	68	49.7 Å²	49.7	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-63.5	-54.5	176.7	-176.8	-174.2	-168.9	-98.9	-1.4	111.3	L526 E530 F531 I532 Q536 S537 V538 E546	L526-R534 HydrophobicContact CD1-CB 4.41Å; E530-R534 WeakPolarHBondContact O-CB 3.49Å; E530-R534 PolarHBondContact O-N 3.5Å; F531-R534 PolarHBondContact O-N 2.85Å; I532-R534 VanDerWaalsContact C-N 3.35Å; I532-R534 PolarHBondContact O-N 2.93Å; R534-Q536 VanDerWaalsContact C-N 3.27Å; R534-Q536 PolarHBondContact O-N 3.29Å; R534-S537 WeakPolarHBondContact CA-OG 3.46Å; R534-S537 PolarHBondContact O-N 3.42Å; R534-S537 PolarHBondContact O-OG 3.45Å; R534-V538 HydrophobicContact CG-CG1 4.26Å; R534-V538 WeakPolarHBondContact O-CG2 3.44Å; R534-V538 PolarHBondContact O-N 3.06Å; R534-E546 IonicContact CZ-OE2 3.96Å; R534-E546 VanDerWaalsContact CZ-OE2 3.23Å; R534-E546 IonicContact NH1-OE1 2.96Å; R534-E546 PolarHBondContact NH1-OE1 3.45Å; R534-E546 IonicContact NH1-OE2 2.72Å; R534-E546 PolarHBondContact NH1-OE2 3Å; R534-E546 IonicContact NH2-OE2 3.34Å; R534-E546 PolarHBondContact NH2-OE2 3.49Å
535	V	93	Very high	91.4	Very high	12 Å²	12	52.5 Å²	52.5	7%	0.073	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-39.5	-176.5	168.7	0	0	0	0	111.2	F531 I532 G539 L543 H907 V911	F531-V535 HydrophobicContact CD1-CG2 4.47Å; F531-V535 HydrophobicContact CE1-CG2 4.15Å; F531-V535 HydrophobicContact CE2-CG2 4.19Å; F531-V535 HydrophobicContact CZ-CG2 4Å; F531-V535 WeakPolarHBondContact O-CB 3.41Å; F531-V535 WeakPolarHBondContact O-CG2 3.5Å; F531-V535 PolarHBondContact O-N 3.26Å; I532-V535 PolarHBondContact O-N 3.06Å; V535-G539 PolarHBondContact O-N 2.58Å; V535-G539 VanDerWaalsContact O-N 3.07Å; V535-L543 HydrophobicContact CG1-CD1 4.32Å; V535-H907 HydrophobicContact CG1-CB 4.13Å; V535-H907 HydrophobicContact CG2-CB 3.94Å; V535-H907 WeakPolarHBondContact CG2-ND1 3.28Å; V535-V911 HydrophobicContact CB-CG2 3.69Å; V535-V911 HydrophobicContact CG1-CG2 3.6Å; V535-V911 HydrophobicContact CG2-CG2 4.12Å
536	Q	92.3	Very high	91.2	Very high	130 Å²	130	50.6 Å²	50.6	61%	0.607	29%	0.292	S	S	*	.	H	α-helix	trans	-64.6	-37.9	174.6	-71.4	174.4	-1.1	0	0	113	I532 R534	I532-Q536 WeakPolarHBondContact O-CB 3.49Å; I532-Q536 VanDerWaalsContact O-CG 3.25Å; I532-Q536 WeakPolarHBondContact O-CG 3.41Å; I532-Q536 PolarHBondContact O-N 3.35Å; R534-Q536 VanDerWaalsContact C-N 3.27Å; R534-Q536 PolarHBondContact O-N 3.29Å
537	S	92.4	Very high	90.9	Very high	91 Å²	91	49 Å²	49	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-81	-35.5	-178	56.3	0	0	0	0	114.6	T533 R534	T533-S537 WeakPolarHBondContact O-CB 3.38Å; T533-S537 PolarHBondContact O-N 2.75Å; T533-S537 VanDerWaalsContact O-N 3.09Å; T533-S537 PolarHBondContact O-OG 2.8Å; R534-S537 WeakPolarHBondContact CA-OG 3.46Å; R534-S537 PolarHBondContact O-N 3.42Å; R534-S537 PolarHBondContact O-OG 3.45Å
538	V	88.9	Confident	90.1	Very high	21 Å²	21	50.6 Å²	50.6	13%	0.127	29%	0.291	C	S	.	.	H	α-helix	trans	-84.1	-30.3	178.8	-54.2	0	0	0	0	112.9	L491 R534 G542 L543	L491-V538 HydrophobicContact CD2-CG1 4.49Å; R534-V538 HydrophobicContact CG-CG1 4.26Å; R534-V538 WeakPolarHBondContact O-CG2 3.44Å; R534-V538 PolarHBondContact O-N 3.06Å; V538-G542 PolarHBondContact O-N 2.85Å; V538-G542 VanDerWaalsContact O-N 3.13Å; V538-L543 HydrophobicContact CG2-CD2 3.91Å; V538-L543 HydrophobicContact CG2-CG 3.97Å
539	G	87.7	Confident	89.5	Confident	27 Å²	27	53.1 Å²	53.1	28%	0.278	31%	0.314	S	S	.	.	H	α-helix	trans	58.4	-176.7	-179.1	0	0	0	0	0	114.9	V535 I541 G542 L543	V535-G539 PolarHBondContact O-N 2.58Å; V535-G539 VanDerWaalsContact O-N 3.07Å; G539-I541 PolarHBondContact O-N 3.33Å; G539-I541 VanDerWaalsContact O-N 3.08Å; G539-G542 PolarHBondContact O-N 3.25Å; G539-L543 WeakPolarHBondContact O-CG 3.37Å; G539-L543 PolarHBondContact O-N 3.09Å; G539-L543 VanDerWaalsContact O-N 3.07Å
540	S	85.9	Confident	89	Confident	64 Å²	64	52.5 Å²	52.5	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-59.4	-24.6	-176.7	-46.3	0	0	0	0	114.1	T544 Q908	S540-T544 WeakPolarHBondContact O-CB 3.26Å; S540-T544 PolarHBondContact O-N 2.87Å; S540-T544 VanDerWaalsContact O-N 3.13Å; S540-T544 PolarHBondContact O-OG1 2.77Å; S540-Q908 PolarHBondContact OG-NE2 2.85Å; S540-Q908 VanDerWaalsContact OG-NE2 3.15Å
541	I	82.1	Confident	88.5	Confident	117 Å²	117	47.6 Å²	47.6	60%	0.6	28%	0.282	S	S	*	.	H	α-helix	trans	-77.1	-44.2	177.6	-171.4	60.9	0	0	0	111.8	G539 T544 L545	G539-I541 PolarHBondContact O-N 3.33Å; G539-I541 VanDerWaalsContact O-N 3.08Å; I541-T544 WeakPolarHBondContact O-CB 3.39Å; I541-T544 PolarHBondContact O-N 3.18Å; I541-T544 VanDerWaalsContact O-N 3.16Å; I541-L545 WeakPolarHBondContact O-CG 3.17Å; I541-L545 PolarHBondContact O-N 3.36Å
542	G	85.2	Confident	87.1	Confident	22 Å²	22	51.4 Å²	51.4	23%	0.227	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-42.1	174.7	0	0	0	0	0	111.8	V538 G539 T544 L545 E546	V538-G542 PolarHBondContact O-N 2.85Å; V538-G542 VanDerWaalsContact O-N 3.13Å; G539-G542 PolarHBondContact O-N 3.25Å; G542-T544 VanDerWaalsContact C-N 3.25Å; G542-T544 PolarHBondContact O-N 3.41Å; G542-L545 PolarHBondContact O-N 3.36Å; G542-E546 WeakPolarHBondContact O-CB 3.32Å; G542-E546 PolarHBondContact O-N 2.86Å
543	L	91.4	Very high	85.6	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-28.2	173.9	-62.2	175.6	0	0	0	113.1	V535 V538 G539 F547 Y903 A904 H907	V535-L543 HydrophobicContact CG1-CD1 4.32Å; V538-L543 HydrophobicContact CG2-CD2 3.91Å; V538-L543 HydrophobicContact CG2-CG 3.97Å; G539-L543 WeakPolarHBondContact O-CG 3.37Å; G539-L543 PolarHBondContact O-N 3.09Å; G539-L543 VanDerWaalsContact O-N 3.07Å; L543-F547 PolarHBondContact O-N 2.89Å; L543-Y903 HydrophobicContact CB-CD1 4.25Å; L543-Y903 HydrophobicContact CB-CE1 4.28Å; L543-Y903 HydrophobicContact CD2-CE1 4.13Å; L543-Y903 VanDerWaalsContact O-CD1 3.28Å; L543-Y903 WeakPolarHBondContact O-CD1 3.16Å; L543-A904 HydrophobicContact CB-CB 4.09Å; L543-A904 HydrophobicContact CD1-CB 4.21Å; L543-H907 HydrophobicContact CD1-CB 3.64Å; L543-H907 HydrophobicContact CD2-CB 4.45Å
544	T	83	Confident	84.1	Confident	48 Å²	48	53.5 Å²	53.5	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-71.1	-44.6	173.8	-64.8	0	0	0	0	111.3	S540 I541 G542 F547 D548 A900	S540-T544 WeakPolarHBondContact O-CB 3.26Å; S540-T544 PolarHBondContact O-N 2.87Å; S540-T544 VanDerWaalsContact O-N 3.13Å; S540-T544 PolarHBondContact O-OG1 2.77Å; I541-T544 WeakPolarHBondContact O-CB 3.39Å; I541-T544 PolarHBondContact O-N 3.18Å; I541-T544 VanDerWaalsContact O-N 3.16Å; G542-T544 VanDerWaalsContact C-N 3.25Å; G542-T544 PolarHBondContact O-N 3.41Å; T544-F547 PolarHBondContact O-N 2.83Å; T544-D548 WeakPolarHBondContact O-CB 3.4Å; T544-D548 PolarHBondContact O-N 2.85Å; T544-A900 HydrophobicContact CG2-CB 3.85Å
545	L	84.7	Confident	82.5	Confident	104 Å²	104	52.4 Å²	52.4	55%	0.545	31%	0.311	S	S	.	.	H	α-helix	trans	-65.6	-38.7	176.2	-65.4	171.4	0	0	0	111.8	I541 G542 D548 A549	I541-L545 WeakPolarHBondContact O-CG 3.17Å; I541-L545 PolarHBondContact O-N 3.36Å; G542-L545 PolarHBondContact O-N 3.36Å; L545-D548 PolarHBondContact O-N 3.23Å; L545-A549 WeakPolarHBondContact O-CB 3.28Å; L545-A549 PolarHBondContact O-N 3.12Å
546	E	89	Confident	81	Confident	17 Å²	17	53.2 Å²	53.2	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-48.1	173.9	174.3	166.5	77	0	0	112.3	R534 G542 D548 A549 L550 Y903 H907	R534-E546 IonicContact CZ-OE2 3.96Å; R534-E546 VanDerWaalsContact CZ-OE2 3.23Å; R534-E546 IonicContact NH1-OE1 2.96Å; R534-E546 PolarHBondContact NH1-OE1 3.45Å; R534-E546 IonicContact NH1-OE2 2.72Å; R534-E546 PolarHBondContact NH1-OE2 3Å; R534-E546 IonicContact NH2-OE2 3.34Å; R534-E546 PolarHBondContact NH2-OE2 3.49Å; G542-E546 WeakPolarHBondContact O-CB 3.32Å; G542-E546 PolarHBondContact O-N 2.86Å; E546-D548 VanDerWaalsContact C-N 3.31Å; E546-D548 PolarHBondContact O-N 3.07Å; E546-A549 PolarHBondContact O-N 3.38Å; E546-L550 HydrophobicContact CG-CD1 3.65Å; E546-L550 HydrophobicContact CG-CG 4.41Å; E546-L550 WeakPolarHBondContact O-CB 3.27Å; E546-L550 VanDerWaalsContact O-CG 3.3Å; E546-L550 WeakPolarHBondContact O-CG 3.35Å; E546-L550 PolarHBondContact O-N 3.06Å; E546-Y903 HydrophobicContact CB-CE1 4.27Å; E546-Y903 HydrophobicContact CG-CE1 3.89Å; E546-Y903 VanDerWaalsContact OE1-CE1 3.26Å; E546-Y903 WeakPolarHBondContact OE1-CE1 3.35Å; E546-Y903 PolarHBondContact OE1-OH 3.21Å; E546-H907 IonicContact OE1-NE2 2.65Å
547	F	89.1	Confident	79.4	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-43.8	175.6	178.5	-88.8	0	0	0	111.8	L543 T544 A549 L550 F551 V897 A900 Y903	L543-F547 PolarHBondContact O-N 2.89Å; T544-F547 PolarHBondContact O-N 2.83Å; F547-A549 VanDerWaalsContact C-N 3.33Å; F547-A549 PolarHBondContact O-N 3.08Å; F547-L550 PolarHBondContact O-N 2.84Å; F547-F551 HydrophobicContact CD2-CB 4.06Å; F547-F551 AromaticContact CD2-CD2 3.65Å; F547-F551 HydrophobicContact CD2-CD2 3.65Å; F547-F551 HydrophobicContact CD2-CG 4.26Å; F547-F551 HydrophobicContact CE1-CB 4.45Å; F547-F551 HydrophobicContact CE2-CB 3.78Å; F547-F551 HydrophobicContact CE2-CD2 4.03Å; F547-F551 HydrophobicContact CE2-CG 4.21Å; F547-F551 HydrophobicContact CG-CD2 4.36Å; F547-F551 HydrophobicContact CZ-CB 4Å; F547-F551 PolarHBondContact O-N 2.91Å; F547-V897 HydrophobicContact CE2-CG1 4.11Å; F547-A900 HydrophobicContact CB-CB 4Å; F547-A900 HydrophobicContact CD1-CB 3.75Å; F547-A900 HydrophobicContact CG-CB 4.02Å; F547-Y903 HydrophobicContact CB-CD1 3.79Å; F547-Y903 HydrophobicContact CB-CE1 4.46Å; F547-Y903 HydrophobicContact CB-CG 3.92Å; F547-Y903 VanDerWaalsContact CD2-CB 3.47Å; F547-Y903 HydrophobicContact CD2-CD1 4.5Å; F547-Y903 HydrophobicContact CD2-CD2 4.02Å; F547-Y903 AromaticContact CD2-CG 3.76Å; F547-Y903 HydrophobicContact CD2-CG 3.76Å; F547-Y903 HydrophobicContact CG-CG 4.28Å
548	D	80.2	Confident	77.4	Confident	52 Å²	52	49 Å²	49	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-37.8	-179.1	-92.8	25.4	0	0	0	111.7	T544 L545 E546 K552	T544-D548 WeakPolarHBondContact O-CB 3.4Å; T544-D548 PolarHBondContact O-N 2.85Å; L545-D548 PolarHBondContact O-N 3.23Å; E546-D548 VanDerWaalsContact C-N 3.31Å; E546-D548 PolarHBondContact O-N 3.07Å; D548-K552 HydrophobicContact CB-CD 4.13Å; D548-K552 WeakPolarHBondContact O-CB 3.4Å; D548-K552 WeakPolarHBondContact OD2-CE 3.5Å; D548-K552 IonicContact OD2-NZ 3.19Å; D548-K552 PolarHBondContact OD2-NZ 3.21Å
549	A	83.3	Confident	75.2	Confident	71 Å²	71	49.5 Å²	49.5	59%	0.587	30%	0.303	S	S	*	.	H	α-helix	trans	-72.7	-35.4	176.6	0	0	0	0	0	113.9	L545 E546 F547	L545-A549 WeakPolarHBondContact O-CB 3.28Å; L545-A549 PolarHBondContact O-N 3.12Å; E546-A549 PolarHBondContact O-N 3.38Å; F547-A549 VanDerWaalsContact C-N 3.33Å; F547-A549 PolarHBondContact O-N 3.08Å
550	L	85.1	Confident	73.5	Confident	50 Å²	50	49.7 Å²	49.7	26%	0.262	30%	0.3	S	S	.	.	H	α-helix	trans	-91.8	-31.4	-173.7	-66.2	176.4	0	0	0	114.5	E546 F547 S554 P883	E546-L550 HydrophobicContact CG-CD1 3.65Å; E546-L550 HydrophobicContact CG-CG 4.41Å; E546-L550 WeakPolarHBondContact O-CB 3.27Å; E546-L550 VanDerWaalsContact O-CG 3.3Å; E546-L550 WeakPolarHBondContact O-CG 3.35Å; E546-L550 PolarHBondContact O-N 3.06Å; F547-L550 PolarHBondContact O-N 2.84Å; L550-S554 WeakPolarHBondContact O-CB 3.4Å; L550-S554 PolarHBondContact O-OG 3.16Å; L550-P883 HydrophobicContact CD1-CB 4.08Å; L550-P883 HydrophobicContact CD1-CG 4.13Å
551	F	84.3	Confident	71.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-131.2	-17.3	-161.9	-60.9	-61.7	0	0	0	116.7	F547 P883 I886 N887 R890 Y903	F547-F551 HydrophobicContact CD2-CB 4.06Å; F547-F551 AromaticContact CD2-CD2 3.65Å; F547-F551 HydrophobicContact CD2-CD2 3.65Å; F547-F551 HydrophobicContact CD2-CG 4.26Å; F547-F551 HydrophobicContact CE1-CB 4.45Å; F547-F551 HydrophobicContact CE2-CB 3.78Å; F547-F551 HydrophobicContact CE2-CD2 4.03Å; F547-F551 HydrophobicContact CE2-CG 4.21Å; F547-F551 HydrophobicContact CG-CD2 4.36Å; F547-F551 HydrophobicContact CZ-CB 4Å; F547-F551 PolarHBondContact O-N 2.91Å; F551-P883 HydrophobicContact CZ-CB 4.4Å; F551-I886 HydrophobicContact CD1-CG2 3.93Å; F551-I886 HydrophobicContact CD2-CG2 4.5Å; F551-I886 HydrophobicContact CE1-CB 4.08Å; F551-I886 HydrophobicContact CE1-CG2 3.48Å; F551-I886 VanDerWaalsContact CE1-CG2 3.48Å; F551-I886 HydrophobicContact CE2-CB 4.47Å; F551-I886 HydrophobicContact CE2-CD1 4.49Å; F551-I886 HydrophobicContact CE2-CG2 4.11Å; F551-I886 HydrophobicContact CG-CG2 4.42Å; F551-I886 HydrophobicContact CZ-CB 3.81Å; F551-I886 HydrophobicContact CZ-CG2 3.58Å; F551-N887 WeakPolarHBondContact CE1-ND2 3.43Å; F551-R890 PolarHBondContact O-NH2 2.95Å; F551-Y903 HydrophobicContact CE2-CD2 4.24Å; F551-Y903 AromaticContact CE2-CE2 3.87Å; F551-Y903 HydrophobicContact CE2-CE2 3.87Å
552	K	67.2	Low	69.1	Low	84 Å²	84	49.1 Å²	49.1	37%	0.365	29%	0.292	S	S	.	.	S	Bend	trans	-65.4	-56.5	-171.8	-173.2	-174.4	-164.2	166	0	112.7	D548	D548-K552 HydrophobicContact CB-CD 4.13Å; D548-K552 WeakPolarHBondContact O-CB 3.4Å; D548-K552 WeakPolarHBondContact OD2-CE 3.5Å; D548-K552 IonicContact OD2-NZ 3.19Å; D548-K552 PolarHBondContact OD2-NZ 3.21Å
553	D	63.3	Low	66.8	Low	116 Å²	116	53 Å²	53	62%	0.62	30%	0.302	S	S	*	.	S	Bend	trans	-105.7	12.7	-178.2	-50.3	-54.9	0	0	0	111.1	S443	S443-D553 WeakPolarHBondContact CB-O 3.25Å
554	S	63.6	Low	63.9	Low	27 Å²	27	55.7 Å²	55.7	19%	0.189	33%	0.325	C	S	.	.			trans	-69.6	130.3	-177.9	-163.6	0	0	0	0	111	S443 L550	S443-S554 WeakPolarHBondContact CB-O 3.42Å; S443-S554 PolarHBondContact OG-O 2.97Å; L550-S554 WeakPolarHBondContact O-CB 3.4Å; L550-S554 PolarHBondContact O-OG 3.16Å
555	P	61.7	Low	61.3	Low	46 Å²	46	63.5 Å²	63.5	30%	0.299	35%	0.351	S	S	.	.			trans	-67.1	153	-175	26.4	-34.7	0	0	0	112.6	S443 T447 K557	S443-P555 WeakPolarHBondContact O-CA 3.48Å; S443-P555 WeakPolarHBondContact O-CB 3.46Å; T447-P555 HydrophobicContact CG2-CB 4.41Å; T447-P555 HydrophobicContact CG2-CG 4.27Å; P555-K557 PolarHBondContact O-N 3.24Å
556	V	61.1	Low	58.9	Low	28 Å²	28	60.6 Å²	60.6	17%	0.17	34%	0.335	C	S	.	.			trans	-70.4	101	175.7	-179.3	0	0	0	0	109.4	M440 M444 L593 A894	M440-V556 HydrophobicContact CE-CG2 3.7Å; M444-V556 HydrophobicContact CE-CG2 4.05Å; M444-V556 HydrophobicContact CG-CG2 4.09Å; V556-L593 HydrophobicContact CG1-CD2 3.85Å; V556-A894 HydrophobicContact CG1-CB 3.74Å
557	K	58.4	Low	56.2	Low	86 Å²	86	67 Å²	67	37%	0.374	37%	0.367	S	S	.	.			trans	-71.2	136.8	172.7	-63.1	175	-177.3	175.3	0	109.9	P555 N887 C891	P555-K557 PolarHBondContact O-N 3.24Å; K557-N887 PolarHBondContact NZ-OD1 2.86Å; K557-C891 WeakPolarHBondContact CB-SG 3.32Å
558	G	49.4	Very low	53.6	Low	48 Å²	48	74.4 Å²	74.4	50%	0.495	41%	0.406	S	S	.	.	S	Bend	trans	97.8	170.2	-174.2	0	0	0	0	0	113.2
559	A	43.7	Very low	51.4	Low	30 Å²	30	80 Å²	80	25%	0.248	43%	0.431	C	S	.	.			trans	-88.9	116	-167.8	0	0	0	0	0	113.9	T561 D594	A559-T561 HydrophobicContact CB-CG2 3.97Å; A559-D594 PolarHBondContact O-N 3Å
560	C	51.3	Low	48.8	Very low	31 Å²	31	81 Å²	81	21%	0.209	43%	0.434	C	S	.	.			trans	-119.8	51.4	150.2	-77.3	0	0	0	0	108.8	R562	C560-R562 PolarHBondContact O-N 3.17Å
561	T	39.8	Very low	46.2	Very low	99 Å²	99	86.1 Å²	86.1	61%	0.607	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	62.2	-154.4	40	0	0	0	0	115.8	A559 Y574	A559-T561 HydrophobicContact CB-CG2 3.97Å; T561-Y574 WeakPolarHBondContact O-CE1 3.42Å; T561-Y574 VanDerWaalsContact O-CZ 3.26Å; T561-Y574 PolarHBondContact O-OH 2.85Å
562	R	35.9	Very low	43.9	Very low	70 Å²	70	89.7 Å²	89.7	26%	0.264	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-2.1	152.5	-147.7	-169.9	171.9	80.8	-14.6	114.5	C560 A564 I566 T572 Y574	C560-R562 PolarHBondContact O-N 3.17Å; R562-A564 VanDerWaalsContact C-N 3.31Å; R562-A564 PolarHBondContact O-N 3.29Å; R562-I566 HydrophobicContact CG-CB 4.18Å; R562-I566 HydrophobicContact CG-CD1 4.29Å; R562-I566 HydrophobicContact CG-CG1 4.39Å; R562-I566 VanDerWaalsContact CZ-CG2 3.46Å; R562-I566 VanDerWaalsContact NH1-CD1 3.34Å; R562-T572 PolarHBondContact NH1-O 2.92Å; R562-T572 PolarHBondContact NH1-OG1 3.37Å; R562-Y574 HydrophobicContact CB-CD1 4.03Å; R562-Y574 HydrophobicContact CB-CD2 3.81Å; R562-Y574 HydrophobicContact CB-CE1 3.79Å; R562-Y574 HydrophobicContact CB-CE2 3.63Å; R562-Y574 HydrophobicContact CB-CG 4.02Å; R562-Y574 HydrophobicContact CG-CD2 3.88Å; R562-Y574 HydrophobicContact CG-CE1 4.46Å; R562-Y574 HydrophobicContact CG-CE2 3.45Å; R562-Y574 VanDerWaalsContact CG-CE2 3.45Å
563	F	37.4	Very low	42.4	Very low	104 Å²	104	93.9 Å²	93.9	46%	0.456	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-3.3	-176.5	-83.1	-72.4	0	0	0	116.1	F445 H577	F445-F563 AromaticContact CE1-CD1 3.58Å; F445-F563 HydrophobicContact CE1-CD1 3.58Å; F445-F563 AromaticContact CE1-CE1 4Å; F445-F563 HydrophobicContact CE1-CE1 4Å; F445-F563 HydrophobicContact CE1-CG 4.44Å; F445-F563 AromaticContact CZ-CD1 3.8Å; F445-F563 HydrophobicContact CZ-CD1 3.8Å; F445-F563 AromaticContact CZ-CE1 3.83Å; F445-F563 HydrophobicContact CZ-CE1 3.83Å; F563-H577 AromaticContact CE2-NE2 3.55Å
564	A	29.9	Very low	41.8	Very low	58 Å²	58	90.7 Å²	90.7	48%	0.479	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.7	53.4	179	0	0	0	0	0	114.7	S448 R562	S448-A564 VanDerWaalsContact OG-CB 3.31Å; S448-A564 WeakPolarHBondContact OG-CB 3.26Å; R562-A564 VanDerWaalsContact C-N 3.31Å; R562-A564 PolarHBondContact O-N 3.29Å
565	Y	30	Very low	41.4	Very low	212 Å²	212	92.7 Å²	92.7	83%	0.831	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-164.6	-26.3	154.1	-146.3	-103.2	0	0	0	114.9
566	I	32.4	Very low	40.9	Very low	42 Å²	42	90.7 Å²	90.7	22%	0.215	48%	0.479	C	S	.	.			trans	-120.5	63.6	-154.8	-33.8	178.9	0	0	0	114	R562 Q569	R562-I566 HydrophobicContact CG-CB 4.18Å; R562-I566 HydrophobicContact CG-CD1 4.29Å; R562-I566 HydrophobicContact CG-CG1 4.39Å; R562-I566 VanDerWaalsContact CZ-CG2 3.46Å; R562-I566 VanDerWaalsContact NH1-CD1 3.34Å; I566-Q569 WeakPolarHBondContact CG2-O 3.24Å
567	M	32.8	Very low	40.6	Very low	153 Å²	153	92.6 Å²	92.6	75%	0.754	49%	0.486	S	S	*	.	S	Bend	trans	-97.5	3.6	161.4	-100.2	-63.1	-163.1	0	0	113.4	L308	L308-M567 HydrophobicContact CD1-CB 4.48Å; L308-M567 HydrophobicContact CD1-CE 4.14Å; L308-M567 HydrophobicContact CD1-CG 4.12Å; L308-M567 HydrophobicContact CD1-SD 4.11Å; L308-M567 HydrophobicContact CD2-CE 4.24Å; L308-M567 HydrophobicContact CG-CE 4.4Å
568	N	34.3	Very low	40.5	Very low	155 Å²	155	90.2 Å²	90.2	83%	0.829	48%	0.477	S	S	*	.	S	Bend	trans	-143.5	12.7	-174.3	-147.5	12.9	0	0	0	116.9
569	Q	35.1	Very low	40.9	Very low	169 Å²	169	91.6 Å²	91.6	79%	0.79	48%	0.484	S	S	*	.			trans	-143	154.8	170.4	-68.8	-166.2	5.9	0	0	112.2	I566	I566-Q569 WeakPolarHBondContact CG2-O 3.24Å
570	S	29.2	Very low	42	Very low	94 Å²	94	93.7 Å²	93.7	66%	0.657	50%	0.496	S	S	*	.			trans	-85	172.2	-168.2	52.8	0	0	0	0	114.9	T572	S570-T572 PolarHBondContact O-N 3.38Å
571	D	30.2	Very low	43.4	Very low	156 Å²	156	92.9 Å²	92.9	83%	0.834	49%	0.49	S	S	*	.			trans	55.7	50.4	156.3	-54	-43.3	0	0	0	119.6
572	T	35	Very low	45.2	Very low	76 Å²	76	93.3 Å²	93.3	47%	0.466	48%	0.483	S	S	.	.			trans	-134.7	129.3	149.7	31.3	0	0	0	0	109.8	R562 S570	R562-T572 PolarHBondContact NH1-O 2.92Å; R562-T572 PolarHBondContact NH1-OG1 3.37Å; S570-T572 PolarHBondContact O-N 3.38Å
573	K	36.5	Very low	47.6	Very low	171 Å²	171	99.8 Å²	99.8	74%	0.743	51%	0.508	S	S	*	.			trans	-124.1	118.3	-166.9	-133.1	-179.4	175.6	174.9	0	108.5	L578	K573-L578 HydrophobicContact CB-CD2 3.45Å; K573-L578 VanDerWaalsContact CB-CD2 3.45Å; K573-L578 HydrophobicContact CD-CD2 3.92Å; K573-L578 HydrophobicContact CG-CD2 3.45Å; K573-L578 VanDerWaalsContact CG-CD2 3.45Å; K573-L578 WeakPolarHBondContact O-CD2 3.27Å
574	Y	49.4	Very low	50.1	Low	49 Å²	49	97 Å²	97	19%	0.192	49%	0.494	C	S	.	.			trans	-93.6	136	-165	-75.6	-109.6	0	0	0	112.2	T561 R562 F576 H577 L578	T561-Y574 WeakPolarHBondContact O-CE1 3.42Å; T561-Y574 VanDerWaalsContact O-CZ 3.26Å; T561-Y574 PolarHBondContact O-OH 2.85Å; R562-Y574 HydrophobicContact CB-CD1 4.03Å; R562-Y574 HydrophobicContact CB-CD2 3.81Å; R562-Y574 HydrophobicContact CB-CE1 3.79Å; R562-Y574 HydrophobicContact CB-CE2 3.63Å; R562-Y574 HydrophobicContact CB-CG 4.02Å; R562-Y574 HydrophobicContact CG-CD2 3.88Å; R562-Y574 HydrophobicContact CG-CE1 4.46Å; R562-Y574 HydrophobicContact CG-CE2 3.45Å; R562-Y574 VanDerWaalsContact CG-CE2 3.45Å; Y574-F576 PolarHBondContact O-N 3.11Å; Y574-H577 CarbonylContact O-C 3.58Å; Y574-H577 PolarHBondContact O-N 3.23Å; Y574-L578 VanDerWaalsContact O-CD2 3.23Å; Y574-L578 WeakPolarHBondContact O-CD2 3.23Å; Y574-L578 VanDerWaalsContact O-CG 3.27Å; Y574-L578 WeakPolarHBondContact O-CG 3.17Å; Y574-L578 PolarHBondContact O-N 3.28Å
575	V	55.5	Low	52.9	Low	69 Å²	69	94.8 Å²	94.8	42%	0.418	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-59.2	-48.3	-164.4	-165.8	0	0	0	0	112.1	H577 N581 Y605	V575-H577 VanDerWaalsContact C-N 3.29Å; V575-H577 PolarHBondContact O-N 3.03Å; V575-N581 WeakPolarHBondContact O-CB 3.46Å; V575-N581 PolarHBondContact O-ND2 3.37Å; V575-Y605 HydrophobicContact CG1-CD2 3.49Å; V575-Y605 VanDerWaalsContact CG1-CD2 3.49Å; V575-Y605 HydrophobicContact CG1-CE2 4.33Å; V575-Y605 HydrophobicContact CG1-CG 3.87Å
576	F	51.1	Low	55.7	Low	5 Å²	5	86.7 Å²	86.7	2%	0.022	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-61.8	-33.4	175.4	178.4	-110.3	0	0	0	113.7	Y574 N585 V590 P591 C592 Y605 H607	Y574-F576 PolarHBondContact O-N 3.11Å; F576-N585 WeakPolarHBondContact CD2-ND2 3.38Å; F576-N585 WeakPolarHBondContact CD2-OD1 3.21Å; F576-N585 HydrophobicContact CE2-CB 4.1Å; F576-N585 WeakPolarHBondContact CE2-ND2 3.19Å; F576-N585 WeakPolarHBondContact CE2-OD1 3.31Å; F576-N585 PolarHBondContact O-ND2 2.92Å; F576-V590 VanDerWaalsContact CE2-O 3.31Å; F576-V590 WeakPolarHBondContact CE2-O 3.35Å; F576-V590 WeakPolarHBondContact CZ-O 3.48Å; F576-P591 HydrophobicContact CE1-CB 4.44Å; F576-C592 HydrophobicContact CB-CB 4.39Å; F576-C592 HydrophobicContact CD2-CB 3.67Å; F576-C592 HydrophobicContact CE2-CB 4.36Å; F576-C592 HydrophobicContact CG-CB 4.3Å; F576-Y605 WeakPolarHBondContact CD2-OH 3.36Å; F576-H607 AromaticContact CE2-CD2 3.88Å; F576-H607 AromaticContact CE2-NE2 3.65Å
577	H	54.9	Low	58.2	Low	68 Å²	68	88.1 Å²	88.1	32%	0.315	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-103.9	0.1	-171.3	-74.2	-45.6	0	0	0	115.5	F563 Y574 V575 A579 K582	F563-H577 AromaticContact CE2-NE2 3.55Å; Y574-H577 CarbonylContact O-C 3.58Å; Y574-H577 PolarHBondContact O-N 3.23Å; V575-H577 VanDerWaalsContact C-N 3.29Å; V575-H577 PolarHBondContact O-N 3.03Å; H577-A579 PolarHBondContact O-N 3.45Å; H577-K582 VanDerWaalsContact O-CE 3.23Å; H577-K582 WeakPolarHBondContact O-CE 3.41Å
578	L	57.4	Low	60.3	Low	35 Å²	35	85.9 Å²	85.9	18%	0.183	44%	0.436	C	S	.	.			trans	-52.4	141.3	174.6	-55.1	-171.6	0	0	0	109.8	K573 Y574 S580 N581 K582	K573-L578 HydrophobicContact CB-CD2 3.45Å; K573-L578 VanDerWaalsContact CB-CD2 3.45Å; K573-L578 HydrophobicContact CD-CD2 3.92Å; K573-L578 HydrophobicContact CG-CD2 3.45Å; K573-L578 VanDerWaalsContact CG-CD2 3.45Å; K573-L578 WeakPolarHBondContact O-CD2 3.27Å; Y574-L578 VanDerWaalsContact O-CD2 3.23Å; Y574-L578 WeakPolarHBondContact O-CD2 3.23Å; Y574-L578 VanDerWaalsContact O-CG 3.27Å; Y574-L578 WeakPolarHBondContact O-CG 3.17Å; Y574-L578 PolarHBondContact O-N 3.28Å; L578-S580 VanDerWaalsContact CB-OG 3.28Å; L578-S580 WeakPolarHBondContact CB-OG 3.36Å; L578-S580 PolarHBondContact O-N 2.81Å; L578-S580 VanDerWaalsContact O-N 3.13Å; L578-N581 HydrophobicContact CB-CB 3.94Å; L578-N581 WeakPolarHBondContact CD1-ND2 3.39Å; L578-N581 PolarHBondContact O-N 3.41Å; L578-K582 WeakPolarHBondContact O-CG 3.42Å; L578-K582 PolarHBondContact O-N 2.97Å
579	A	56.4	Low	62.1	Low	78 Å²	78	81.8 Å²	81.8	65%	0.645	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.3	175.2	0	0	0	0	0	112.7	H577	H577-A579 PolarHBondContact O-N 3.45Å
580	S	68.2	Low	64.1	Low	73 Å²	73	74 Å²	74	51%	0.51	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-38.2	170.6	52.8	0	0	0	0	113.4	L578	L578-S580 VanDerWaalsContact CB-OG 3.28Å; L578-S580 WeakPolarHBondContact CB-OG 3.36Å; L578-S580 PolarHBondContact O-N 2.81Å; L578-S580 VanDerWaalsContact O-N 3.13Å
581	N	80.1	Confident	66.5	Low	14 Å²	14	69.7 Å²	69.7	8%	0.075	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-18.5	-168	-63.1	7.6	0	0	0	112.8	V575 L578 R583 R584 N585 Y605	V575-N581 WeakPolarHBondContact O-CB 3.46Å; V575-N581 PolarHBondContact O-ND2 3.37Å; L578-N581 HydrophobicContact CB-CB 3.94Å; L578-N581 WeakPolarHBondContact CD1-ND2 3.39Å; L578-N581 PolarHBondContact O-N 3.41Å; N581-R583 PolarHBondContact O-N 2.8Å; N581-R583 VanDerWaalsContact O-N 3.16Å; N581-R584 WeakPolarHBondContact O-CA 3.45Å; N581-R584 WeakPolarHBondContact O-CB 3.4Å; N581-R584 PolarHBondContact O-N 2.88Å; N581-N585 PolarHBondContact O-N 2.98Å; N581-N585 PolarHBondContact O-ND2 3.11Å; N581-Y605 HydrophobicContact CB-CD1 3.68Å; N581-Y605 HydrophobicContact CB-CE1 4.19Å; N581-Y605 HydrophobicContact CB-CG 4.32Å; N581-Y605 WeakPolarHBondContact ND2-CB 3.36Å
582	K	78.2	Confident	69.1	Low	108 Å²	108	62.3 Å²	62.3	47%	0.47	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-53.5	-33.6	169.4	-73.3	-176.8	-175.8	-174	0	112.7	H577 L578 R584 L588	H577-K582 VanDerWaalsContact O-CE 3.23Å; H577-K582 WeakPolarHBondContact O-CE 3.41Å; L578-K582 WeakPolarHBondContact O-CG 3.42Å; L578-K582 PolarHBondContact O-N 2.97Å; K582-R584 VanDerWaalsContact C-N 3.28Å; K582-R584 PolarHBondContact O-N 3.44Å; K582-L588 HydrophobicContact CB-CD2 4.37Å; K582-L588 HydrophobicContact CG-CD2 4.44Å
583	R	85.2	Confident	71.4	Confident	206 Å²	206	58.7 Å²	58.7	78%	0.777	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-77	-9	174.6	-63.9	-171.5	-178.6	-164.3	1.7	114.1	N581 N629	N581-R583 PolarHBondContact O-N 2.8Å; N581-R583 VanDerWaalsContact O-N 3.16Å; R583-N629 PolarHBondContact O-ND2 3.24Å
584	R	90.7	Very high	73.4	Confident	46 Å²	46	53 Å²	53	17%	0.174	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-97.1	-7.9	176.9	-61.6	175.9	163.5	-109	-12.6	112.3	N581 K582 Y605 Q624 T630 E633	N581-R584 WeakPolarHBondContact O-CA 3.45Å; N581-R584 WeakPolarHBondContact O-CB 3.4Å; N581-R584 PolarHBondContact O-N 2.88Å; K582-R584 VanDerWaalsContact C-N 3.28Å; K582-R584 PolarHBondContact O-N 3.44Å; R584-Y605 HydrophobicContact CB-CD1 3.96Å; R584-Y605 HydrophobicContact CB-CE1 4.11Å; R584-Y605 WeakPolarHBondContact CD-O 3.37Å; R584-Y605 PolarHBondContact NH1-O 3.05Å; R584-Q624 PolarHBondContact O-NE2 3.07Å; R584-T630 HydrophobicContact CB-CG2 3.83Å; R584-T630 HydrophobicContact CG-CG2 4.04Å; R584-E633 IonicContact CZ-OE1 2.66Å; R584-E633 IonicContact NH1-OE1 2.59Å; R584-E633 PolarHBondContact NH1-OE1 3.08Å; R584-E633 IonicContact NH1-OE2 3.64Å; R584-E633 IonicContact NH2-OE1 3.9Å; R584-E633 PolarHBondContact NH2-OE1 3.15Å
585	N	87.7	Confident	75.1	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.059	28%	0.281	C	S	.	.			trans	-96.6	126.5	175.5	-59.8	-38.3	0	0	0	110.2	F576 N581 Y587 L588 Y605 H607	F576-N585 WeakPolarHBondContact CD2-ND2 3.38Å; F576-N585 WeakPolarHBondContact CD2-OD1 3.21Å; F576-N585 HydrophobicContact CE2-CB 4.1Å; F576-N585 WeakPolarHBondContact CE2-ND2 3.19Å; F576-N585 WeakPolarHBondContact CE2-OD1 3.31Å; F576-N585 PolarHBondContact O-ND2 2.92Å; N581-N585 PolarHBondContact O-N 2.98Å; N581-N585 PolarHBondContact O-ND2 3.11Å; N585-Y587 VanDerWaalsContact C-N 3.31Å; N585-L588 HydrophobicContact CB-CD2 4.06Å; N585-Y605 VanDerWaalsContact OD1-CE1 3.23Å; N585-Y605 WeakPolarHBondContact OD1-CE1 3.4Å; N585-Y605 PolarHBondContact OD1-OH 3.32Å; N585-H607 PolarHBondContact OD1-CD2 2.73Å
586	R	90.1	Very high	76.7	Confident	43 Å²	43	52.4 Å²	52.4	16%	0.162	27%	0.269	C	S	.	.	S	Bend	trans	-70.6	-29.9	175.2	-178	177.4	-72.5	-81.8	-3.6	112.4	G625 P626 L627 P658 K659 S855	R586-G625 PolarHBondContact NE-O 2.58Å; R586-G625 PolarHBondContact NH2-O 2.93Å; R586-G625 VanDerWaalsContact NH2-O 3.08Å; R586-P626 PolarHBondContact NH2-O 3.22Å; R586-L627 HydrophobicContact CB-CD2 4.07Å; R586-L627 HydrophobicContact CB-CG 4.38Å; R586-L627 HydrophobicContact CG-CD2 4.22Å; R586-P658 PolarHBondContact NH1-O 3.32Å; R586-K659 WeakPolarHBondContact CD-O 3.12Å; R586-K659 VanDerWaalsContact CZ-C 3.48Å; R586-K659 PolarHBondContact NE-O 3.31Å; R586-S855 WeakPolarHBondContact CD-O 3.22Å
587	Y	83.4	Confident	78.6	Confident	72 Å²	72	53.3 Å²	53.3	28%	0.282	28%	0.278	S	S	.	.			trans	-135.9	130.7	-179.4	-60.4	-70	0	0	0	108.3	N585 V590 S855 A856	N585-Y587 VanDerWaalsContact C-N 3.31Å; Y587-V590 HydrophobicContact CG-CG2 4.45Å; Y587-S855 WeakPolarHBondContact CE2-OG 3.38Å; Y587-S855 PolarHBondContact OH-OG 2.77Å; Y587-A856 HydrophobicContact CD2-CB 3.58Å; Y587-A856 HydrophobicContact CE2-CB 3.79Å
588	L	78.1	Confident	80.5	Confident	106 Å²	106	50.3 Å²	50.3	56%	0.555	26%	0.264	S	S	*	.	S	Bend	trans	-91	-16.9	-178.5	-64.9	176.2	0	0	0	112.5	K582 N585 V590	K582-L588 HydrophobicContact CB-CD2 4.37Å; K582-L588 HydrophobicContact CG-CD2 4.44Å; N585-L588 HydrophobicContact CB-CD2 4.06Å; L588-V590 VanDerWaalsContact C-N 3.33Å
589	D	70.9	Confident	82	Confident	69 Å²	69	56.4 Å²	56.4	37%	0.369	29%	0.291	S	S	.	.	S	Bend	trans	-84.2	-3.9	172.5	56.2	-51.1	0	0	0	113.4	T441	T441-D589 HydrophobicContact CG2-CB 4.03Å
590	V	79.1	Confident	83.6	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.024	26%	0.263	C	S	.	.	S	Bend	trans	-112	100.3	175.1	179.7	0	0	0	0	108.8	F576 Y587 L588 H607 A856 I858	F576-V590 VanDerWaalsContact CE2-O 3.31Å; F576-V590 WeakPolarHBondContact CE2-O 3.35Å; F576-V590 WeakPolarHBondContact CZ-O 3.48Å; Y587-V590 HydrophobicContact CG-CG2 4.45Å; L588-V590 VanDerWaalsContact C-N 3.33Å; V590-H607 PolarHBondContact O-NE2 3.17Å; V590-A856 HydrophobicContact CG1-CB 4.43Å; V590-A856 HydrophobicContact CG2-CB 4.17Å; V590-I858 HydrophobicContact CG1-CD1 4.04Å; V590-I858 HydrophobicContact CG1-CG1 4.38Å; V590-I858 HydrophobicContact CG1-CG2 3.75Å; V590-I858 HydrophobicContact CG2-CD1 3.86Å
591	P	78.7	Confident	84.6	Confident	5 Å²	5	54 Å²	54	3%	0.032	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-70.7	150	-177	30.9	-36.7	0	0	0	112.1	M444 F576 H607 A894	M444-P591 HydrophobicContact CE-CB 4.17Å; M444-P591 HydrophobicContact CE-CG 3.65Å; F576-P591 HydrophobicContact CE1-CB 4.44Å; P591-H607 PolarHBondContact O-CE1 2.86Å; P591-A894 HydrophobicContact CG-CB 3.76Å
592	C	84.7	Confident	84.8	Confident	1 Å²	1	56 Å²	56	1%	0.007	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-97.6	119.6	160.8	-163.8	0	0	0	0	107.3	F576 D594 Y605 N609	F576-C592 HydrophobicContact CB-CB 4.39Å; F576-C592 HydrophobicContact CD2-CB 3.67Å; F576-C592 HydrophobicContact CE2-CB 4.36Å; F576-C592 HydrophobicContact CG-CB 4.3Å; C592-D594 PolarHBondContact O-N 3.42Å; C592-Y605 HydrophobicContact CB-CE2 4.32Å; C592-Y605 WeakPolarHBondContact CB-OH 3.42Å; C592-N609 PolarHBondContact SG-OD1 2.79Å
593	L	83.2	Confident	85	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-68.5	126.6	177.3	-66.3	178.8	0	0	0	109.3	V556 S595 A597 N609 C891 A894	V556-L593 HydrophobicContact CG1-CD2 3.85Å; L593-S595 VanDerWaalsContact C-N 3.3Å; L593-S595 PolarHBondContact O-N 2.85Å; L593-A597 PolarHBondContact O-N 3.34Å; L593-N609 PolarHBondContact O-ND2 2.8Å; L593-C891 VanDerWaalsContact CD1-O 3.26Å; L593-C891 WeakPolarHBondContact CD1-O 3.36Å; L593-A894 HydrophobicContact CD1-CB 4.13Å; L593-A894 HydrophobicContact CD2-CB 3.99Å; L593-A894 HydrophobicContact CG-CB 3.9Å
594	D	79.3	Confident	85.1	Confident	52 Å²	52	50 Å²	50	28%	0.278	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-66.3	-36.3	-177.9	-67.5	-51.3	0	0	0	110.5	A559 C592 T596 A597	A559-D594 PolarHBondContact O-N 3Å; C592-D594 PolarHBondContact O-N 3.42Å; D594-T596 PolarHBondContact O-N 2.86Å; D594-T596 VanDerWaalsContact O-N 3.13Å; D594-A597 PolarHBondContact O-N 2.77Å
595	S	83.4	Confident	85	Confident	79 Å²	79	48.4 Å²	48.4	55%	0.552	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-67.1	-11.2	-176.7	53.8	0	0	0	0	116	L593	L593-S595 VanDerWaalsContact C-N 3.3Å; L593-S595 PolarHBondContact O-N 2.85Å
596	T	90	Very high	85.3	Confident	26 Å²	26	48.1 Å²	48.1	16%	0.16	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-135.2	11.7	179	54.5	0	0	0	0	112.2	D594 N609 W610 Q892	D594-T596 PolarHBondContact O-N 2.86Å; D594-T596 VanDerWaalsContact O-N 3.13Å; T596-N609 CarbonylContact O-C 3.5Å; T596-N609 VanDerWaalsContact O-CA 3.23Å; T596-N609 WeakPolarHBondContact O-CA 3.43Å; T596-N609 PolarHBondContact O-ND2 2.7Å; T596-N609 PolarHBondContact OG1-ND2 2.94Å; T596-W610 PolarHBondContact O-N 3.42Å; T596-Q892 HydrophobicContact CG2-CB 4.23Å; T596-Q892 HydrophobicContact CG2-CG 4.27Å; T596-Q892 PolarHBondContact OG1-O 3.12Å
597	A	91.3	Very high	85.6	Confident	24 Å²	24	46.2 Å²	46.2	20%	0.198	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-59.8	150.6	-177.7	0	0	0	0	0	111.9	L593 D594 E599 N609	L593-A597 PolarHBondContact O-N 3.34Å; D594-A597 PolarHBondContact O-N 2.77Å; A597-E599 PolarHBondContact O-N 2.82Å; A597-N609 PolarHBondContact N-ND2 2.9Å
598	V	94.2	Very high	86.2	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.03	24%	0.242	C	C	.	.			trans	-76.9	111.2	169.2	177.3	0	0	0	0	109.2	L600 I606 A608 I621 T637	V598-L600 HydrophobicContact CG1-CD2 4.16Å; V598-I606 HydrophobicContact CB-CG2 4.04Å; V598-I606 HydrophobicContact CG1-CG2 4.16Å; V598-A608 HydrophobicContact CB-CB 4.17Å; V598-A608 HydrophobicContact CG2-CB 3.69Å; V598-A608 PolarHBondContact N-O 3.45Å; V598-I621 HydrophobicContact CG2-CG1 4.48Å; V598-I621 HydrophobicContact CG2-CG2 3.83Å; V598-T637 HydrophobicContact CG1-CG2 3.99Å
599	E	88.9	Confident	87.1	Confident	162 Å²	162	37.8 Å²	37.8	76%	0.757	22%	0.216	S	C	*	.			trans	-75.3	141.5	168.2	-62.2	172.4	177.4	0	0	110.3	A597 H641	A597-E599 PolarHBondContact O-N 2.82Å; E599-H641 PolarHBondContact O-NE2 3.06Å
600	L	89.6	Confident	88.3	Confident	10 Å²	10	35.5 Å²	35.5	5%	0.052	20%	0.202	C	C	.	.			trans	-123.1	146.9	175.1	-61.5	178.8	0	0	0	110	V598 D602 N603 I606 E633 M636 E640	V598-L600 HydrophobicContact CG1-CD2 4.16Å; L600-D602 VanDerWaalsContact C-N 3.29Å; L600-D602 PolarHBondContact O-N 3.33Å; L600-N603 PolarHBondContact O-N 3.2Å; L600-I606 HydrophobicContact CD1-CB 4.2Å; L600-I606 HydrophobicContact CD1-CG2 3.88Å; L600-I606 HydrophobicContact CG-CG2 4.17Å; L600-E633 HydrophobicContact CD1-CB 3.86Å; L600-E633 HydrophobicContact CD1-CG 4.2Å; L600-M636 HydrophobicContact CB-CE 4.38Å; L600-M636 HydrophobicContact CB-SD 4.36Å; L600-M636 HydrophobicContact CD1-CB 4.46Å; L600-M636 HydrophobicContact CD1-CG 4.48Å; L600-M636 HydrophobicContact CD1-SD 4.33Å; L600-M636 HydrophobicContact CD2-CB 4.49Å; L600-M636 HydrophobicContact CD2-CG 4.27Å; L600-E640 WeakPolarHBondContact CA-OE2 3.37Å
601	S	88.9	Confident	89.1	Confident	92 Å²	92	35.3 Å²	35.3	64%	0.643	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.8	-169.9	68.4	0	0	0	0	115.4	N603 M636 E640	S601-N603 VanDerWaalsContact C-N 3.27Å; S601-N603 PolarHBondContact O-N 2.9Å; S601-M636 WeakPolarHBondContact OG-CE 3.38Å; S601-E640 WeakPolarHBondContact CB-OE1 3.45Å; S601-E640 PolarHBondContact N-OE1 3.32Å; S601-E640 VanDerWaalsContact N-OE1 3.09Å; S601-E640 PolarHBondContact N-OE2 2.85Å; S601-E640 VanDerWaalsContact N-OE2 3.15Å; S601-E640 PolarHBondContact OG-OE1 2.99Å
602	D	85.7	Confident	89.9	Confident	56 Å²	56	36.8 Å²	36.8	30%	0.299	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	4.9	174.8	70.4	-2.2	0	0	0	113.8	L600 T604 R632 M636	L600-D602 VanDerWaalsContact C-N 3.29Å; L600-D602 PolarHBondContact O-N 3.33Å; D602-T604 PolarHBondContact O-N 2.9Å; D602-T604 WeakPolarHBondContact OD1-CB 3.26Å; D602-T604 VanDerWaalsContact OD1-CG2 3.32Å; D602-T604 WeakPolarHBondContact OD1-CG2 3.33Å; D602-T604 PolarHBondContact OD1-N 3.5Å; D602-T604 PolarHBondContact OD1-OG1 2.78Å; D602-T604 WeakPolarHBondContact OD2-CG2 3.48Å; D602-T604 PolarHBondContact OD2-OG1 3.44Å; D602-R632 IonicContact OD2-CZ 2.71Å; D602-R632 VanDerWaalsContact OD2-CZ 3.22Å; D602-R632 IonicContact OD2-NH1 3.08Å; D602-R632 PolarHBondContact OD2-NH1 3.38Å; D602-R632 IonicContact OD2-NH2 3.19Å; D602-R632 PolarHBondContact OD2-NH2 3.2Å; D602-M636 HydrophobicContact CB-CE 3.79Å; D602-M636 VanDerWaalsContact CG-CE 3.41Å
603	N	82.4	Confident	90.3	Very high	154 Å²	154	37 Å²	37	82%	0.824	21%	0.211	S	C	*	.			trans	62.7	15.3	-174.6	-50.3	-94.5	0	0	0	114.4	L600 S601	L600-N603 PolarHBondContact O-N 3.2Å; S601-N603 VanDerWaalsContact C-N 3.27Å; S601-N603 PolarHBondContact O-N 2.9Å
604	T	86	Confident	90.8	Very high	34 Å²	34	37.8 Å²	37.8	21%	0.209	21%	0.214	C	C	.	.			trans	-71.3	149	169.7	61.3	0	0	0	0	111.3	D602 E633	D602-T604 PolarHBondContact O-N 2.9Å; D602-T604 WeakPolarHBondContact OD1-CB 3.26Å; D602-T604 VanDerWaalsContact OD1-CG2 3.32Å; D602-T604 WeakPolarHBondContact OD1-CG2 3.33Å; D602-T604 PolarHBondContact OD1-N 3.5Å; D602-T604 PolarHBondContact OD1-OG1 2.78Å; D602-T604 WeakPolarHBondContact OD2-CG2 3.48Å; D602-T604 PolarHBondContact OD2-OG1 3.44Å; T604-E633 VanDerWaalsContact OG1-CG 3.31Å; T604-E633 WeakPolarHBondContact OG1-CG 3.45Å
605	Y	89.8	Confident	91.2	Very high	12 Å²	12	39.8 Å²	39.8	5%	0.047	22%	0.221	C	C	.	.			trans	-95.7	136.4	-179.6	164.7	-101	0	0	0	112	V575 F576 N581 R584 N585 C592 H607	V575-Y605 HydrophobicContact CG1-CD2 3.49Å; V575-Y605 VanDerWaalsContact CG1-CD2 3.49Å; V575-Y605 HydrophobicContact CG1-CE2 4.33Å; V575-Y605 HydrophobicContact CG1-CG 3.87Å; F576-Y605 WeakPolarHBondContact CD2-OH 3.36Å; N581-Y605 HydrophobicContact CB-CD1 3.68Å; N581-Y605 HydrophobicContact CB-CE1 4.19Å; N581-Y605 HydrophobicContact CB-CG 4.32Å; N581-Y605 WeakPolarHBondContact ND2-CB 3.36Å; R584-Y605 HydrophobicContact CB-CD1 3.96Å; R584-Y605 HydrophobicContact CB-CE1 4.11Å; R584-Y605 WeakPolarHBondContact CD-O 3.37Å; R584-Y605 PolarHBondContact NH1-O 3.05Å; N585-Y605 VanDerWaalsContact OD1-CE1 3.23Å; N585-Y605 WeakPolarHBondContact OD1-CE1 3.4Å; N585-Y605 PolarHBondContact OD1-OH 3.32Å; C592-Y605 HydrophobicContact CB-CE2 4.32Å; C592-Y605 WeakPolarHBondContact CB-OH 3.42Å; Y605-H607 HydrophobicContact CE1-CB 4.41Å; Y605-H607 WeakPolarHBondContact OH-CA 3.48Å; Y605-H607 VanDerWaalsContact OH-CB 3.26Å; Y605-H607 WeakPolarHBondContact OH-CB 3.44Å
606	I	94.5	Very high	91.5	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	21%	0.205	C	C	.	.			trans	-127.4	139.3	170.5	-173.9	60.4	0	0	0	109.7	V598 L600 A608 E633	V598-I606 HydrophobicContact CB-CG2 4.04Å; V598-I606 HydrophobicContact CG1-CG2 4.16Å; L600-I606 HydrophobicContact CD1-CB 4.2Å; L600-I606 HydrophobicContact CD1-CG2 3.88Å; L600-I606 HydrophobicContact CG-CG2 4.17Å; I606-A608 VanDerWaalsContact C-N 3.26Å; I606-A608 HydrophobicContact CG1-CB 4.47Å; I606-A608 HydrophobicContact CG2-CB 4.45Å; I606-A608 PolarHBondContact O-N 3.27Å; I606-E633 HydrophobicContact CB-CB 4.3Å; I606-E633 HydrophobicContact CD1-CB 4.23Å
607	H	94.9	Very high	91.5	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.009	21%	0.213	C	C	.	.	S	Bend	trans	-81	73	178.4	-169.1	-17.9	0	0	0	111.2	F576 N585 V590 P591 Y605 Q624 R893	F576-H607 AromaticContact CE2-CD2 3.88Å; F576-H607 AromaticContact CE2-NE2 3.65Å; N585-H607 PolarHBondContact OD1-CD2 2.73Å; V590-H607 PolarHBondContact O-NE2 3.17Å; P591-H607 PolarHBondContact O-CE1 2.86Å; Y605-H607 HydrophobicContact CE1-CB 4.41Å; Y605-H607 WeakPolarHBondContact OH-CA 3.48Å; Y605-H607 VanDerWaalsContact OH-CB 3.26Å; Y605-H607 WeakPolarHBondContact OH-CB 3.44Å; H607-Q624 HydrophobicContact CB-CG 3.98Å; H607-Q624 PolarHBondContact CD2-OE1 3.23Å; H607-Q624 PolarHBondContact O-N 3.19Å; H607-Q624 VanDerWaalsContact O-N 3.11Å; H607-R893 PolarHBondContact CE1-NH1 2.7Å; H607-R893 VanDerWaalsContact CE1-NH1 3.31Å; H607-R893 PolarHBondContact CE1-NH2 3.04Å; H607-R893 VanDerWaalsContact CE1-NH2 3.33Å; H607-R893 PolarHBondContact ND1-NH1 2.86Å; H607-R893 PolarHBondContact ND1-NH2 2.93Å
608	A	97.1	Very high	91.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.5	176.7	0	0	0	0	0	111	V598 I606 I621 L622 A623	V598-A608 HydrophobicContact CB-CB 4.17Å; V598-A608 HydrophobicContact CG2-CB 3.69Å; V598-A608 PolarHBondContact N-O 3.45Å; I606-A608 VanDerWaalsContact C-N 3.26Å; I606-A608 HydrophobicContact CG1-CB 4.47Å; I606-A608 HydrophobicContact CG2-CB 4.45Å; I606-A608 PolarHBondContact O-N 3.27Å; A608-I621 HydrophobicContact CB-CG2 3.91Å; A608-L622 VanDerWaalsContact CA-O 3.3Å; A608-L622 WeakPolarHBondContact CA-O 3.39Å; A608-A623 HydrophobicContact CB-CB 3.78Å
609	N	96.6	Very high	91.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.1	174.4	-65.4	98.9	0	0	0	111.8	C592 L593 T596 A597 L622 Q892 R893	C592-N609 PolarHBondContact SG-OD1 2.79Å; L593-N609 PolarHBondContact O-ND2 2.8Å; T596-N609 CarbonylContact O-C 3.5Å; T596-N609 VanDerWaalsContact O-CA 3.23Å; T596-N609 WeakPolarHBondContact O-CA 3.43Å; T596-N609 PolarHBondContact O-ND2 2.7Å; T596-N609 PolarHBondContact OG1-ND2 2.94Å; A597-N609 PolarHBondContact N-ND2 2.9Å; N609-L622 PolarHBondContact N-O 2.87Å; N609-L622 PolarHBondContact O-N 2.66Å; N609-Q892 VanDerWaalsContact CB-O 3.22Å; N609-Q892 WeakPolarHBondContact CB-O 3.42Å; N609-R893 VanDerWaalsContact OD1-CD 3.24Å; N609-R893 WeakPolarHBondContact OD1-CD 3.41Å; N609-R893 PolarHBondContact OD1-NH1 3.38Å
610	W	96.7	Very high	92	Very high	21 Å²	21	36.3 Å²	36.3	8%	0.08	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.9	163.1	-69.1	99.5	0	0	0	110.9	T596 R618 I621 H641 P849	T596-W610 PolarHBondContact O-N 3.42Å; W610-R618 HydrophobicContact CB-CG 4.46Å; W610-R618 HydrophobicContact CD2-CG 4.41Å; W610-R618 VanDerWaalsContact CD2-CZ 3.43Å; W610-R618 VanDerWaalsContact CE2-CZ 3.46Å; W610-R618 HydrophobicContact CE3-CB 3.63Å; W610-R618 HydrophobicContact CE3-CG 3.97Å; W610-R618 HydrophobicContact CZ3-CB 3.97Å; W610-I621 HydrophobicContact CD2-CG1 4.24Å; W610-I621 HydrophobicContact CE3-CG1 3.85Å; W610-I621 HydrophobicContact CH2-CD1 3.68Å; W610-I621 HydrophobicContact CH2-CG1 3.92Å; W610-I621 HydrophobicContact CZ2-CD1 3.96Å; W610-I621 HydrophobicContact CZ2-CG1 4.23Å; W610-I621 HydrophobicContact CZ3-CD1 3.98Å; W610-I621 HydrophobicContact CZ3-CG1 3.71Å; W610-H641 HydrophobicContact CH2-CB 3.92Å; W610-H641 AromaticContact CH2-CG 3.88Å; W610-H641 AromaticContact CH2-ND1 3.86Å; W610-H641 HydrophobicContact CZ2-CB 4.17Å; W610-H641 AromaticContact CZ2-CE1 3.91Å; W610-H641 AromaticContact CZ2-CG 3.62Å; W610-H641 AromaticContact CZ2-ND1 3.45Å; W610-H641 WeakPolarHBondContact CZ2-ND1 3.35Å; W610-P849 HydrophobicContact CH2-CG 4.1Å; W610-P849 HydrophobicContact CZ3-CB 3.95Å; W610-P849 HydrophobicContact CZ3-CG 3.98Å
611	V	95.3	Very high	92.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	139.5	179.3	171	0	0	0	0	110.2	R618 A619 Y620 L622 V865 L889 Q892 R893	V611-R618 CarbonylContact O-C 3.59Å; V611-R618 WeakPolarHBondContact O-CA 3.12Å; V611-A619 PolarHBondContact O-N 3.4Å; V611-Y620 HydrophobicContact CB-CD2 4.48Å; V611-Y620 HydrophobicContact CG1-CD2 4.06Å; V611-Y620 PolarHBondContact N-O 3.45Å; V611-Y620 PolarHBondContact O-N 3.43Å; V611-L622 HydrophobicContact CB-CD1 4.06Å; V611-L622 HydrophobicContact CB-CG 4.02Å; V611-L622 HydrophobicContact CG1-CD1 4.14Å; V611-L622 HydrophobicContact CG2-CB 4.37Å; V611-L622 HydrophobicContact CG2-CD1 3.58Å; V611-L622 HydrophobicContact CG2-CG 3.68Å; V611-V865 HydrophobicContact CG1-CG1 4.3Å; V611-L889 HydrophobicContact CB-CD1 4.38Å; V611-L889 HydrophobicContact CG1-CD1 3.27Å; V611-L889 HydrophobicContact CG2-CD1 4.18Å; V611-Q892 HydrophobicContact CG2-CB 3.89Å; V611-R893 HydrophobicContact CG2-CB 3.94Å
612	D	94.7	Very high	92.9	Very high	37 Å²	37	31.5 Å²	31.5	20%	0.198	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	150.1	177.6	-57.5	-34.2	0	0	0	111.7	Y516 P617 R618 Q892	Y516-D612 HydrophobicContact CE1-CB 4.35Å; D612-P617 VanDerWaalsContact OD1-CA 3.29Å; D612-P617 WeakPolarHBondContact OD1-CA 3.36Å; D612-R618 PolarHBondContact OD1-N 2.93Å; D612-Q892 PolarHBondContact OD2-NE2 3.26Å
613	G	93.7	Very high	93.5	Very high	5 Å²	5	29 Å²	29	5%	0.052	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	179.7	169.3	0	0	0	0	0	112.4	Q615 C616	G613-Q615 PolarHBondContact O-N 2.97Å; G613-Q615 VanDerWaalsContact O-N 3.13Å; G613-C616 PolarHBondContact N-O 2.74Å; G613-C616 PolarHBondContact O-N 3.48Å
614	Y	92.8	Very high	94.2	Very high	16 Å²	16	21.8 Å²	21.8	6%	0.063	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	119.4	170.4	179.6	-100.1	0	0	0	110	C616 Q872 Q873 N876 E877	Y614-C616 WeakPolarHBondContact O-CB 3.5Å; Y614-C616 PolarHBondContact O-N 3.05Å; Y614-Q872 HydrophobicContact CD1-CB 3.65Å; Y614-Q872 HydrophobicContact CD2-CB 4.4Å; Y614-Q872 HydrophobicContact CE1-CB 4.44Å; Y614-Q872 HydrophobicContact CG-CB 3.62Å; Y614-Q873 HydrophobicContact CD2-CB 4.4Å; Y614-Q873 HydrophobicContact CD2-CG 3.54Å; Y614-Q873 HydrophobicContact CE2-CB 4.36Å; Y614-Q873 HydrophobicContact CE2-CG 3.75Å; Y614-N876 HydrophobicContact CE1-CB 3.97Å; Y614-N876 WeakPolarHBondContact OH-CB 3.3Å; Y614-E877 HydrophobicContact CE2-CG 4.37Å; Y614-E877 WeakPolarHBondContact CE2-OE1 3.3Å; Y614-E877 WeakPolarHBondContact OH-CG 3.44Å
615	Q	88.5	Confident	94.8	Very high	94 Å²	94	20.1 Å²	20.1	44%	0.439	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	29.6	-175.9	-60.7	-175.4	-5.8	0	0	115	G613 F844	G613-Q615 PolarHBondContact O-N 2.97Å; G613-Q615 VanDerWaalsContact O-N 3.13Å; Q615-F844 WeakPolarHBondContact O-CE1 3.13Å
616	C	89.9	Confident	95.1	Very high	31 Å²	31	19.6 Å²	19.6	21%	0.209	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	94.9	-172.4	-167.8	0	0	0	0	111.2	G613 Y614 A619	G613-C616 PolarHBondContact N-O 2.74Å; G613-C616 PolarHBondContact O-N 3.48Å; Y614-C616 WeakPolarHBondContact O-CB 3.5Å; Y614-C616 PolarHBondContact O-N 3.05Å; C616-A619 HydrophobicContact CB-CB 4.01Å; C616-A619 WeakPolarHBondContact O-CB 3.4Å; C616-A619 PolarHBondContact O-N 3.45Å
617	P	90.9	Very high	95.2	Very high	51 Å²	51	20.8 Å²	20.8	33%	0.331	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	140.3	176.7	-19.9	31.4	0	0	0	111.4	Y516 D612 A619	Y516-P617 HydrophobicContact CE1-CB 4.44Å; Y516-P617 HydrophobicContact CE1-CG 3.99Å; Y516-P617 HydrophobicContact CE2-CG 4.44Å; D612-P617 VanDerWaalsContact OD1-CA 3.29Å; D612-P617 WeakPolarHBondContact OD1-CA 3.36Å; P617-A619 PolarHBondContact O-N 3.03Å; P617-A619 VanDerWaalsContact O-N 3.13Å
618	R	92.5	Very high	95.2	Very high	125 Å²	125	27.8 Å²	27.8	47%	0.472	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.4	23.6	177.9	-64.3	171.8	68.2	107.7	-14.1	115	W610 V611 D612 Y620	W610-R618 HydrophobicContact CB-CG 4.46Å; W610-R618 HydrophobicContact CD2-CG 4.41Å; W610-R618 VanDerWaalsContact CD2-CZ 3.43Å; W610-R618 VanDerWaalsContact CE2-CZ 3.46Å; W610-R618 HydrophobicContact CE3-CB 3.63Å; W610-R618 HydrophobicContact CE3-CG 3.97Å; W610-R618 HydrophobicContact CZ3-CB 3.97Å; V611-R618 CarbonylContact O-C 3.59Å; V611-R618 WeakPolarHBondContact O-CA 3.12Å; D612-R618 PolarHBondContact OD1-N 2.93Å; R618-Y620 PolarHBondContact O-N 3.39Å; R618-Y620 VanDerWaalsContact O-N 3.07Å
619	A	94.8	Very high	95.1	Very high	13 Å²	13	31.7 Å²	31.7	11%	0.107	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	-27.5	-179.9	0	0	0	0	0	114.5	V611 C616 P617 L850	V611-A619 PolarHBondContact O-N 3.4Å; C616-A619 HydrophobicContact CB-CB 4.01Å; C616-A619 WeakPolarHBondContact O-CB 3.4Å; C616-A619 PolarHBondContact O-N 3.45Å; P617-A619 PolarHBondContact O-N 3.03Å; P617-A619 VanDerWaalsContact O-N 3.13Å; A619-L850 PolarHBondContact O-N 2.82Å
620	Y	97.7	Very high	95.1	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.6	-177.8	-42.5	-72	0	0	0	113.4	V611 R618 L622 K802 L850 V865 D868 I869	V611-Y620 HydrophobicContact CB-CD2 4.48Å; V611-Y620 HydrophobicContact CG1-CD2 4.06Å; V611-Y620 PolarHBondContact N-O 3.45Å; V611-Y620 PolarHBondContact O-N 3.43Å; R618-Y620 PolarHBondContact O-N 3.39Å; R618-Y620 VanDerWaalsContact O-N 3.07Å; Y620-L622 HydrophobicContact CG-CD2 4.39Å; Y620-K802 PolarHBondContact OH-NZ 3.35Å; Y620-K802 VanDerWaalsContact OH-NZ 3.07Å; Y620-L850 VanDerWaalsContact CA-O 3.31Å; Y620-L850 WeakPolarHBondContact CA-O 3.47Å; Y620-L850 HydrophobicContact CD1-CB 3.94Å; Y620-L850 HydrophobicContact CD1-CD2 4.16Å; Y620-L850 HydrophobicContact CD1-CG 4.34Å; Y620-L850 HydrophobicContact CE1-CB 4.32Å; Y620-L850 HydrophobicContact CE1-CD2 4Å; Y620-V865 HydrophobicContact CD2-CG1 3.83Å; Y620-V865 HydrophobicContact CD2-CG2 4.38Å; Y620-V865 HydrophobicContact CE2-CG1 3.82Å; Y620-V865 HydrophobicContact CG-CG2 4.37Å; Y620-D868 PolarHBondContact OH-OD2 2.92Å; Y620-I869 HydrophobicContact CE2-CD1 4.4Å
621	I	98.3	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115	159.1	-65.8	173.7	0	0	0	107.4	V598 A608 W610 T637 H641 V643 P849 L850 L851 V852	V598-I621 HydrophobicContact CG2-CG1 4.48Å; V598-I621 HydrophobicContact CG2-CG2 3.83Å; A608-I621 HydrophobicContact CB-CG2 3.91Å; W610-I621 HydrophobicContact CD2-CG1 4.24Å; W610-I621 HydrophobicContact CE3-CG1 3.85Å; W610-I621 HydrophobicContact CH2-CD1 3.68Å; W610-I621 HydrophobicContact CH2-CG1 3.92Å; W610-I621 HydrophobicContact CZ2-CD1 3.96Å; W610-I621 HydrophobicContact CZ2-CG1 4.23Å; W610-I621 HydrophobicContact CZ3-CD1 3.98Å; W610-I621 HydrophobicContact CZ3-CG1 3.71Å; I621-T637 HydrophobicContact CD1-CG2 4Å; I621-T637 HydrophobicContact CG2-CG2 4.19Å; I621-H641 HydrophobicContact CD1-CB 3.97Å; I621-V643 HydrophobicContact CD1-CG2 3.96Å; I621-P849 HydrophobicContact CD1-CB 4.33Å; I621-P849 HydrophobicContact CD1-CG 3.96Å; I621-P849 HydrophobicContact CG1-CB 4.17Å; I621-P849 HydrophobicContact CG1-CG 4.35Å; I621-L850 PolarHBondContact N-O 3.12Å; I621-L851 HydrophobicContact CB-CB 4.36Å; I621-L851 HydrophobicContact CB-CD1 4.45Å; I621-L851 HydrophobicContact CB-CG 4.13Å; I621-L851 HydrophobicContact CG2-CD1 4.13Å; I621-L851 HydrophobicContact CG2-CG 4.08Å; I621-L851 WeakPolarHBondContact O-CA 3.43Å; I621-V852 PolarHBondContact O-N 3.42Å
622	L	98.4	Very high	95.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.9	-179.7	-53.3	-165.5	0	0	0	110.1	A608 N609 V611 Y620 V852 T861 V865 L889 R893	A608-L622 VanDerWaalsContact CA-O 3.3Å; A608-L622 WeakPolarHBondContact CA-O 3.39Å; N609-L622 PolarHBondContact N-O 2.87Å; N609-L622 PolarHBondContact O-N 2.66Å; V611-L622 HydrophobicContact CB-CD1 4.06Å; V611-L622 HydrophobicContact CB-CG 4.02Å; V611-L622 HydrophobicContact CG1-CD1 4.14Å; V611-L622 HydrophobicContact CG2-CB 4.37Å; V611-L622 HydrophobicContact CG2-CD1 3.58Å; V611-L622 HydrophobicContact CG2-CG 3.68Å; Y620-L622 HydrophobicContact CG-CD2 4.39Å; L622-V852 WeakPolarHBondContact CA-O 3.25Å; L622-V852 HydrophobicContact CD2-CB 3.95Å; L622-V852 HydrophobicContact CD2-CG2 4.43Å; L622-T861 HydrophobicContact CB-CG2 4.02Å; L622-T861 HydrophobicContact CD1-CG2 4.04Å; L622-T861 HydrophobicContact CD2-CG2 3.76Å; L622-T861 HydrophobicContact CG-CG2 4.14Å; L622-V865 HydrophobicContact CD1-CG2 4.16Å; L622-V865 HydrophobicContact CD2-CG2 3.73Å; L622-L889 HydrophobicContact CD1-CD1 3.99Å; L622-R893 HydrophobicContact CB-CB 4.44Å; L622-R893 HydrophobicContact CB-CG 4Å; L622-R893 HydrophobicContact CD1-CB 4.01Å; L622-R893 HydrophobicContact CD1-CG 4.11Å; L622-R893 PolarHBondContact O-NE 3.05Å; L622-R893 PolarHBondContact O-NH1 3.25Å
623	A	98.3	Very high	95.3	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.025	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	156.7	-172	0	0	0	0	0	113	A608 L851 V852 H853 G857	A608-A623 HydrophobicContact CB-CB 3.78Å; A623-L851 HydrophobicContact CB-CD2 4.41Å; A623-V852 PolarHBondContact N-O 2.83Å; A623-H853 HydrophobicContact CB-CB 4.22Å; A623-H853 WeakPolarHBondContact O-CA 3.46Å; A623-H853 VanDerWaalsContact O-CB 3.23Å; A623-H853 WeakPolarHBondContact O-CB 3.39Å; A623-G857 WeakPolarHBondContact O-CA 3.25Å; A623-G857 PolarHBondContact O-N 3.2Å
624	Q	96.8	Very high	95.5	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.014	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-66.7	163	159.9	74.7	178.8	9.2	0	0	111	R584 H607 P626	R584-Q624 PolarHBondContact O-NE2 3.07Å; H607-Q624 HydrophobicContact CB-CG 3.98Å; H607-Q624 PolarHBondContact CD2-OE1 3.23Å; H607-Q624 PolarHBondContact O-N 3.19Å; H607-Q624 VanDerWaalsContact O-N 3.11Å; Q624-P626 WeakPolarHBondContact O-CD 3.49Å
625	G	97.6	Very high	95.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-68.8	120	167.3	0	0	0	0	0	110.3	R586 C854 S855	R586-G625 PolarHBondContact NE-O 2.58Å; R586-G625 PolarHBondContact NH2-O 2.93Å; R586-G625 VanDerWaalsContact NH2-O 3.08Å; G625-C854 WeakPolarHBondContact CA-O 3.31Å; G625-C854 PolarHBondContact N-O 2.94Å; G625-S855 PolarHBondContact N-O 3.23Å
626	P	97.9	Very high	96.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-46.8	141.2	-173.8	-34.8	38.2	0	0	0	114.4	R586 Q624 I631 F634 A661 Y663	R586-P626 PolarHBondContact NH2-O 3.22Å; Q624-P626 WeakPolarHBondContact O-CD 3.49Å; P626-I631 HydrophobicContact CB-CG1 4.49Å; P626-F634 HydrophobicContact CB-CB 4.43Å; P626-F634 HydrophobicContact CB-CG 4.49Å; P626-F634 HydrophobicContact CG-CB 3.89Å; P626-F634 HydrophobicContact CG-CD1 4.08Å; P626-F634 HydrophobicContact CG-CD2 3.35Å; P626-F634 HydrophobicContact CG-CE1 4.47Å; P626-F634 HydrophobicContact CG-CE2 3.76Å; P626-F634 HydrophobicContact CG-CG 3.49Å; P626-F634 VanDerWaalsContact CG-CG 3.49Å; P626-F634 HydrophobicContact CG-CZ 4.31Å; P626-A661 VanDerWaalsContact O-CB 3.23Å; P626-A661 WeakPolarHBondContact O-CB 3.3Å; P626-A661 PolarHBondContact O-N 3.05Å; P626-Y663 HydrophobicContact CB-CD1 4.2Å; P626-Y663 HydrophobicContact CB-CG 4.47Å; P626-Y663 HydrophobicContact CG-CD1 3.78Å; P626-Y663 HydrophobicContact CG-CE1 4.21Å; P626-Y663 HydrophobicContact CG-CG 4.12Å
627	L	95.9	Very high	96.4	Very high	29 Å²	29	26.9 Å²	26.9	15%	0.152	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-88.7	159.7	166.5	-63.2	165.3	0	0	0	108.7	R586 N629 T630 I631	R586-L627 HydrophobicContact CB-CD2 4.07Å; R586-L627 HydrophobicContact CB-CG 4.38Å; R586-L627 HydrophobicContact CG-CD2 4.22Å; L627-N629 WeakPolarHBondContact CB-OD1 3.21Å; L627-N629 PolarHBondContact O-N 3.01Å; L627-T630 HydrophobicContact CB-CG2 4.21Å; L627-T630 HydrophobicContact CD1-CG2 4.35Å; L627-T630 PolarHBondContact N-OG1 2.84Å; L627-T630 CarbonylContact O-C 3.59Å; L627-T630 PolarHBondContact O-N 2.64Å; L627-T630 PolarHBondContact O-OG1 3.44Å; L627-I631 WeakPolarHBondContact O-CG1 3.2Å; L627-I631 PolarHBondContact O-N 2.99Å
628	E	94.5	Very high	96.7	Very high	149 Å²	149	24.5 Å²	24.5	70%	0.696	11%	0.113	S	C	*	.	G	3₁₀ helix	trans	-45.2	-48	173.1	-61.4	-64.1	159.1	0	0	111.7	T630	E628-T630 VanDerWaalsContact C-N 3.27Å; E628-T630 PolarHBondContact O-N 2.97Å
629	N	94.5	Very high	96.9	Very high	84 Å²	84	21.2 Å²	21.2	45%	0.449	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-85.4	17.4	-179.1	68.4	-67.7	0	0	0	114.7	R583 L627	R583-N629 PolarHBondContact O-ND2 3.24Å; L627-N629 WeakPolarHBondContact CB-OD1 3.21Å; L627-N629 PolarHBondContact O-N 3.01Å
630	T	96.4	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-136.5	15.9	171.3	76.6	0	0	0	0	112.8	R584 L627 E628 E633 F634	R584-T630 HydrophobicContact CB-CG2 3.83Å; R584-T630 HydrophobicContact CG-CG2 4.04Å; L627-T630 HydrophobicContact CB-CG2 4.21Å; L627-T630 HydrophobicContact CD1-CG2 4.35Å; L627-T630 PolarHBondContact N-OG1 2.84Å; L627-T630 CarbonylContact O-C 3.59Å; L627-T630 PolarHBondContact O-N 2.64Å; L627-T630 PolarHBondContact O-OG1 3.44Å; E628-T630 VanDerWaalsContact C-N 3.27Å; E628-T630 PolarHBondContact O-N 2.97Å; T630-E633 WeakPolarHBondContact CA-OE2 3.35Å; T630-F634 WeakPolarHBondContact O-CB 3.42Å; T630-F634 PolarHBondContact O-N 2.78Å
631	I	97.8	Very high	96.6	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.062	12%	0.116	C	C	.	.	H	α-helix	trans	-70	-39.9	-179.8	-60.8	175	0	0	0	110.8	P626 L627 F634 W635 A661 Y698	P626-I631 HydrophobicContact CB-CG1 4.49Å; L627-I631 WeakPolarHBondContact O-CG1 3.2Å; L627-I631 PolarHBondContact O-N 2.99Å; I631-F634 PolarHBondContact O-N 3.24Å; I631-W635 VanDerWaalsContact O-CD1 3.26Å; I631-W635 PolarHBondContact O-N 3.1Å; I631-W635 VanDerWaalsContact O-N 3.1Å; I631-A661 HydrophobicContact CD1-CB 4.18Å; I631-Y698 HydrophobicContact CB-CD1 4.26Å; I631-Y698 HydrophobicContact CD1-CE1 4.49Å; I631-Y698 HydrophobicContact CG2-CD1 3.32Å; I631-Y698 HydrophobicContact CG2-CD2 4.17Å; I631-Y698 HydrophobicContact CG2-CE1 3.72Å; I631-Y698 HydrophobicContact CG2-CE2 4.5Å; I631-Y698 HydrophobicContact CG2-CG 3.56Å
632	R	96.5	Very high	96.4	Very high	68 Å²	68	30.2 Å²	30.2	26%	0.257	14%	0.139	S	C	.	.	H	α-helix	trans	-57.5	-52.3	176.2	176.7	-173.5	166.3	-95.8	-9.6	110.7	D602 F634 W635 M636 E700 F701	D602-R632 IonicContact OD2-CZ 2.71Å; D602-R632 VanDerWaalsContact OD2-CZ 3.22Å; D602-R632 IonicContact OD2-NH1 3.08Å; D602-R632 PolarHBondContact OD2-NH1 3.38Å; D602-R632 IonicContact OD2-NH2 3.19Å; D602-R632 PolarHBondContact OD2-NH2 3.2Å; R632-F634 VanDerWaalsContact C-N 3.26Å; R632-F634 PolarHBondContact O-N 3.09Å; R632-W635 CarbonylContact O-C 3.55Å; R632-W635 PolarHBondContact O-N 2.7Å; R632-M636 WeakPolarHBondContact O-CB 3.05Å; R632-M636 PolarHBondContact O-N 3.11Å; R632-E700 WeakPolarHBondContact CD-OE2 3.38Å; R632-E700 IonicContact CZ-OE1 3.19Å; R632-E700 VanDerWaalsContact CZ-OE1 3.28Å; R632-E700 IonicContact CZ-OE2 2.72Å; R632-E700 VanDerWaalsContact NE-CD 3.34Å; R632-E700 IonicContact NE-OE1 3.36Å; R632-E700 PolarHBondContact NE-OE1 3.3Å; R632-E700 VanDerWaalsContact NE-OE1 3.08Å; R632-E700 IonicContact NE-OE2 2.65Å; R632-E700 PolarHBondContact NE-OE2 3.25Å; R632-E700 IonicContact NH2-OE1 2.79Å; R632-E700 PolarHBondContact NH2-OE1 3.14Å; R632-E700 IonicContact NH2-OE2 2.82Å; R632-F701 HydrophobicContact CG-CD2 4.47Å; R632-F701 HydrophobicContact CG-CE2 4.41Å
633	E	96.7	Very high	96.3	Very high	12 Å²	12	30.2 Å²	30.2	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-67.7	-26.2	-176.6	-65.6	86.5	164.8	0	0	112.8	R584 L600 T604 I606 T630 T637	R584-E633 IonicContact CZ-OE1 2.66Å; R584-E633 IonicContact NH1-OE1 2.59Å; R584-E633 PolarHBondContact NH1-OE1 3.08Å; R584-E633 IonicContact NH1-OE2 3.64Å; R584-E633 IonicContact NH2-OE1 3.9Å; R584-E633 PolarHBondContact NH2-OE1 3.15Å; L600-E633 HydrophobicContact CD1-CB 3.86Å; L600-E633 HydrophobicContact CD1-CG 4.2Å; T604-E633 VanDerWaalsContact OG1-CG 3.31Å; T604-E633 WeakPolarHBondContact OG1-CG 3.45Å; I606-E633 HydrophobicContact CB-CB 4.3Å; I606-E633 HydrophobicContact CD1-CB 4.23Å; T630-E633 WeakPolarHBondContact CA-OE2 3.35Å; E633-T637 WeakPolarHBondContact O-CB 3.48Å; E633-T637 PolarHBondContact O-N 3.28Å; E633-T637 PolarHBondContact O-OG1 3.24Å
634	F	98.2	Very high	96.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-68.1	-43.5	168.8	-177.4	-91.1	0	0	0	111.8	P626 T630 I631 R632 T637 V638 I646 Y663 L851	P626-F634 HydrophobicContact CB-CB 4.43Å; P626-F634 HydrophobicContact CB-CG 4.49Å; P626-F634 HydrophobicContact CG-CB 3.89Å; P626-F634 HydrophobicContact CG-CD1 4.08Å; P626-F634 HydrophobicContact CG-CD2 3.35Å; P626-F634 HydrophobicContact CG-CE1 4.47Å; P626-F634 HydrophobicContact CG-CE2 3.76Å; P626-F634 HydrophobicContact CG-CG 3.49Å; P626-F634 VanDerWaalsContact CG-CG 3.49Å; P626-F634 HydrophobicContact CG-CZ 4.31Å; T630-F634 WeakPolarHBondContact O-CB 3.42Å; T630-F634 PolarHBondContact O-N 2.78Å; I631-F634 PolarHBondContact O-N 3.24Å; R632-F634 VanDerWaalsContact C-N 3.26Å; R632-F634 PolarHBondContact O-N 3.09Å; F634-T637 WeakPolarHBondContact O-CB 3.33Å; F634-T637 PolarHBondContact O-N 3.21Å; F634-V638 HydrophobicContact CD1-CG2 4.41Å; F634-V638 HydrophobicContact CE1-CG2 4.14Å; F634-V638 WeakPolarHBondContact O-CG2 3.15Å; F634-V638 PolarHBondContact O-N 3.05Å; F634-I646 HydrophobicContact CE1-CD1 4.05Å; F634-I646 HydrophobicContact CZ-CD1 4.29Å; F634-I646 HydrophobicContact CZ-CG2 4.29Å; F634-Y663 AromaticContact CD1-CD2 3.9Å; F634-Y663 HydrophobicContact CD1-CD2 3.9Å; F634-Y663 HydrophobicContact CD1-CE2 4.13Å; F634-Y663 HydrophobicContact CD1-CG 4.42Å; F634-Y663 AromaticContact CE1-CD2 3.57Å; F634-Y663 HydrophobicContact CE1-CD2 3.57Å; F634-Y663 AromaticContact CE1-CE2 3.32Å; F634-Y663 HydrophobicContact CE1-CE2 3.32Å; F634-Y663 HydrophobicContact CE1-CG 4.33Å; F634-Y663 AromaticContact CE1-CZ 3.85Å; F634-Y663 HydrophobicContact CZ-CD2 4.38Å; F634-Y663 HydrophobicContact CZ-CE1 4.5Å; F634-Y663 AromaticContact CZ-CE2 3.82Å; F634-Y663 HydrophobicContact CZ-CE2 3.82Å; F634-Y663 AromaticContact CZ-CZ 3.86Å; F634-L851 HydrophobicContact CE2-CD1 4.04Å; F634-L851 HydrophobicContact CE2-CD2 3.69Å; F634-L851 HydrophobicContact CZ-CD1 4.23Å; F634-L851 HydrophobicContact CZ-CD2 3.81Å
635	W	97.8	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-70.9	-31.3	174.4	-73	112.7	0	0	0	113.3	I631 R632 V638 W639 I646 Y663 W664 Y698 F701 V703 L721 V723	I631-W635 VanDerWaalsContact O-CD1 3.26Å; I631-W635 PolarHBondContact O-N 3.1Å; I631-W635 VanDerWaalsContact O-N 3.1Å; R632-W635 CarbonylContact O-C 3.55Å; R632-W635 PolarHBondContact O-N 2.7Å; W635-V638 HydrophobicContact CE3-CB 3.99Å; W635-V638 HydrophobicContact CE3-CG1 3.85Å; W635-V638 HydrophobicContact CE3-CG2 4.25Å; W635-V638 HydrophobicContact CZ3-CB 4.41Å; W635-V638 HydrophobicContact CZ3-CG1 3.9Å; W635-V638 HydrophobicContact CZ3-CG2 4.43Å; W635-V638 PolarHBondContact O-N 3.28Å; W635-W639 WeakPolarHBondContact O-CB 3.37Å; W635-W639 PolarHBondContact O-N 2.89Å; W635-I646 HydrophobicContact CH2-CD1 4.25Å; W635-I646 HydrophobicContact CZ3-CD1 4.24Å; W635-Y663 AromaticContact CZ2-CD2 3.79Å; W635-Y663 HydrophobicContact CZ2-CD2 3.79Å; W635-Y663 HydrophobicContact CZ2-CE2 4.2Å; W635-Y663 WeakPolarHBondContact CZ2-O 3.34Å; W635-Y663 PolarHBondContact NE1-O 2.85Å; W635-W664 HydrophobicContact CZ2-CB 4.05Å; W635-Y698 AromaticContact CD1-CD2 3.39Å; W635-Y698 AromaticContact CD1-CG 3.77Å; W635-Y698 HydrophobicContact CG-CD2 4.32Å; W635-Y698 AromaticContact NE1-CD2 3.3Å; W635-Y698 VanDerWaalsContact NE1-CD2 3.3Å; W635-Y698 AromaticContact NE1-CE2 3.54Å; W635-F701 HydrophobicContact CB-CB 4Å; W635-F701 HydrophobicContact CB-CD2 3.82Å; W635-F701 HydrophobicContact CB-CG 3.88Å; W635-V703 HydrophobicContact CD2-CG2 3.65Å; W635-V703 HydrophobicContact CE3-CG2 3.95Å; W635-V703 HydrophobicContact CG-CG2 4.1Å; W635-V703 HydrophobicContact CH2-CG1 3.84Å; W635-V703 HydrophobicContact CH2-CG2 4.28Å; W635-V703 HydrophobicContact CZ2-CB 4.47Å; W635-V703 HydrophobicContact CZ2-CG1 3.83Å; W635-V703 HydrophobicContact CZ2-CG2 3.98Å; W635-V703 HydrophobicContact CZ3-CG1 4.37Å; W635-V703 HydrophobicContact CZ3-CG2 4.26Å; W635-L721 HydrophobicContact CH2-CD1 3.78Å; W635-L721 HydrophobicContact CZ2-CD1 4.45Å; W635-V723 HydrophobicContact CE3-CG1 4.43Å; W635-V723 HydrophobicContact CE3-CG2 3.87Å; W635-V723 HydrophobicContact CH2-CG2 4.49Å; W635-V723 HydrophobicContact CZ3-CG2 3.58Å
636	M	96.3	Very high	96.3	Very high	7 Å²	7	30 Å²	30	3%	0.034	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-45.8	169	-164.5	167.6	-177	0	0	111.3	L600 S601 D602 R632 V638 W639 E640 F701	L600-M636 HydrophobicContact CB-CE 4.38Å; L600-M636 HydrophobicContact CB-SD 4.36Å; L600-M636 HydrophobicContact CD1-CB 4.46Å; L600-M636 HydrophobicContact CD1-CG 4.48Å; L600-M636 HydrophobicContact CD1-SD 4.33Å; L600-M636 HydrophobicContact CD2-CB 4.49Å; L600-M636 HydrophobicContact CD2-CG 4.27Å; S601-M636 WeakPolarHBondContact OG-CE 3.38Å; D602-M636 HydrophobicContact CB-CE 3.79Å; D602-M636 VanDerWaalsContact CG-CE 3.41Å; R632-M636 WeakPolarHBondContact O-CB 3.05Å; R632-M636 PolarHBondContact O-N 3.11Å; M636-V638 VanDerWaalsContact C-N 3.27Å; M636-V638 PolarHBondContact O-N 3.34Å; M636-W639 PolarHBondContact O-N 2.83Å; M636-E640 WeakPolarHBondContact CE-OE1 3.18Å; M636-E640 HydrophobicContact CG-CG 4.21Å; M636-E640 WeakPolarHBondContact O-CB 3.3Å; M636-E640 WeakPolarHBondContact O-CG 3.46Å; M636-E640 PolarHBondContact O-N 3.1Å; M636-F701 HydrophobicContact CB-CE2 3.68Å; M636-F701 HydrophobicContact CB-CZ 3.86Å; M636-F701 HydrophobicContact CG-CE2 4.2Å; M636-F701 HydrophobicContact CG-CZ 4.01Å
637	T	97.1	Very high	96.3	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-55.9	-43.5	172	-58.1	0	0	0	0	111.4	V598 I621 E633 F634 H641 L851	V598-T637 HydrophobicContact CG1-CG2 3.99Å; I621-T637 HydrophobicContact CD1-CG2 4Å; I621-T637 HydrophobicContact CG2-CG2 4.19Å; E633-T637 WeakPolarHBondContact O-CB 3.48Å; E633-T637 PolarHBondContact O-N 3.28Å; E633-T637 PolarHBondContact O-OG1 3.24Å; F634-T637 WeakPolarHBondContact O-CB 3.33Å; F634-T637 PolarHBondContact O-N 3.21Å; T637-H641 WeakPolarHBondContact O-CB 3.46Å; T637-H641 PolarHBondContact O-CD2 3.18Å; T637-H641 PolarHBondContact O-N 2.99Å; T637-L851 HydrophobicContact CG2-CD1 4.15Å
638	V	97.3	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.9	-40.9	179.8	165.2	0	0	0	0	112.1	F634 W635 M636 K642 V643 I646 L772 V774 L851	F634-V638 HydrophobicContact CD1-CG2 4.41Å; F634-V638 HydrophobicContact CE1-CG2 4.14Å; F634-V638 WeakPolarHBondContact O-CG2 3.15Å; F634-V638 PolarHBondContact O-N 3.05Å; W635-V638 HydrophobicContact CE3-CB 3.99Å; W635-V638 HydrophobicContact CE3-CG1 3.85Å; W635-V638 HydrophobicContact CE3-CG2 4.25Å; W635-V638 HydrophobicContact CZ3-CB 4.41Å; W635-V638 HydrophobicContact CZ3-CG1 3.9Å; W635-V638 HydrophobicContact CZ3-CG2 4.43Å; W635-V638 PolarHBondContact O-N 3.28Å; M636-V638 VanDerWaalsContact C-N 3.27Å; M636-V638 PolarHBondContact O-N 3.34Å; V638-K642 PolarHBondContact O-N 3.45Å; V638-V643 HydrophobicContact CB-CB 4.22Å; V638-V643 HydrophobicContact CG1-CB 4.14Å; V638-V643 HydrophobicContact CG2-CB 4.16Å; V638-V643 HydrophobicContact CG2-CG1 4.3Å; V638-V643 PolarHBondContact O-N 2.96Å; V638-I646 HydrophobicContact CG2-CD1 3.77Å; V638-I646 HydrophobicContact CG2-CG1 4.37Å; V638-L772 HydrophobicContact CG1-CD2 4.21Å; V638-L772 WeakPolarHBondContact O-CD2 3.49Å; V638-V774 HydrophobicContact CG1-CG2 3.91Å; V638-L851 HydrophobicContact CG2-CD1 4.1Å
639	W	95.4	Very high	96.5	Very high	56 Å²	56	21.4 Å²	21.4	21%	0.212	10%	0.096	C	C	.	.	H	α-helix	trans	-72.2	-58.2	-178.6	-175.7	-95.1	0	0	0	112.5	W635 M636 H641 K642 F701 V723 C725 L772	W635-W639 WeakPolarHBondContact O-CB 3.37Å; W635-W639 PolarHBondContact O-N 2.89Å; M636-W639 PolarHBondContact O-N 2.83Å; W639-H641 VanDerWaalsContact C-N 3.33Å; W639-H641 PolarHBondContact O-N 2.81Å; W639-K642 PolarHBondContact O-N 3.03Å; W639-F701 HydrophobicContact CB-CD1 4.17Å; W639-F701 HydrophobicContact CB-CE1 3.57Å; W639-F701 HydrophobicContact CB-CZ 4.27Å; W639-F701 AromaticContact CD1-CE1 3.94Å; W639-F701 HydrophobicContact CD2-CD1 4.48Å; W639-F701 HydrophobicContact CD2-CE1 4.15Å; W639-F701 HydrophobicContact CG-CD1 4.27Å; W639-F701 AromaticContact CG-CE1 3.59Å; W639-F701 HydrophobicContact CG-CE1 3.59Å; W639-V723 HydrophobicContact CE3-CB 4.41Å; W639-V723 HydrophobicContact CE3-CG1 3.9Å; W639-V723 HydrophobicContact CZ3-CG1 4.32Å; W639-V723 WeakPolarHBondContact CZ3-O 3.19Å; W639-C725 HydrophobicContact CD2-CB 4.05Å; W639-C725 HydrophobicContact CE3-CB 4.4Å; W639-C725 HydrophobicContact CH2-CB 4Å; W639-C725 HydrophobicContact CZ2-CB 3.59Å; W639-C725 HydrophobicContact CZ3-CB 4.38Å; W639-L772 HydrophobicContact CE3-CB 4.06Å; W639-L772 HydrophobicContact CE3-CD2 4.5Å; W639-L772 HydrophobicContact CZ3-CB 3.85Å
640	E	93.7	Very high	96.4	Very high	57 Å²	57	17.5 Å²	17.5	27%	0.266	8%	0.075	S	C	.	.	H	α-helix	trans	-60.6	-41.7	-174.7	-68.1	-172.7	164.5	0	0	112.4	L600 S601 M636 K642	L600-E640 WeakPolarHBondContact CA-OE2 3.37Å; S601-E640 WeakPolarHBondContact CB-OE1 3.45Å; S601-E640 PolarHBondContact N-OE1 3.32Å; S601-E640 VanDerWaalsContact N-OE1 3.09Å; S601-E640 PolarHBondContact N-OE2 2.85Å; S601-E640 VanDerWaalsContact N-OE2 3.15Å; S601-E640 PolarHBondContact OG-OE1 2.99Å; M636-E640 WeakPolarHBondContact CE-OE1 3.18Å; M636-E640 HydrophobicContact CG-CG 4.21Å; M636-E640 WeakPolarHBondContact O-CB 3.3Å; M636-E640 WeakPolarHBondContact O-CG 3.46Å; M636-E640 PolarHBondContact O-N 3.1Å; E640-K642 VanDerWaalsContact C-N 3.32Å
641	H	93.2	Very high	96.2	Very high	42 Å²	42	21.9 Å²	21.9	19%	0.194	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	15.7	-176.6	-56.2	-63.8	0	0	0	112.9	E599 W610 I621 T637 W639 V643 P849	E599-H641 PolarHBondContact O-NE2 3.06Å; W610-H641 HydrophobicContact CH2-CB 3.92Å; W610-H641 AromaticContact CH2-CG 3.88Å; W610-H641 AromaticContact CH2-ND1 3.86Å; W610-H641 HydrophobicContact CZ2-CB 4.17Å; W610-H641 AromaticContact CZ2-CE1 3.91Å; W610-H641 AromaticContact CZ2-CG 3.62Å; W610-H641 AromaticContact CZ2-ND1 3.45Å; W610-H641 WeakPolarHBondContact CZ2-ND1 3.35Å; I621-H641 HydrophobicContact CD1-CB 3.97Å; T637-H641 WeakPolarHBondContact O-CB 3.46Å; T637-H641 PolarHBondContact O-CD2 3.18Å; T637-H641 PolarHBondContact O-N 2.99Å; W639-H641 VanDerWaalsContact C-N 3.33Å; W639-H641 PolarHBondContact O-N 2.81Å; H641-V643 VanDerWaalsContact C-N 3.31Å; H641-V643 HydrophobicContact CB-CG2 4.48Å; H641-V643 PolarHBondContact O-N 3.02Å; H641-P849 HydrophobicContact CB-CG 4.46Å; H641-P849 WeakPolarHBondContact O-CD 3.32Å; H641-P849 WeakPolarHBondContact O-CG 3.46Å
642	K	94.3	Very high	95.9	Very high	107 Å²	107	23.8 Å²	23.8	47%	0.465	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	47.7	176	-59.6	-172.5	178.2	-173	0	113.3	V638 W639 E640 I644 C848	V638-K642 PolarHBondContact O-N 3.45Å; W639-K642 PolarHBondContact O-N 3.03Å; E640-K642 VanDerWaalsContact C-N 3.32Å; K642-I644 PolarHBondContact O-N 2.8Å; K642-C848 WeakPolarHBondContact O-CB 3.47Å
643	V	96	Very high	95.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.			trans	-72.6	99.2	-179.6	177.1	0	0	0	0	109.9	I621 V638 H641 T645 I646 V774 P849 L851	I621-V643 HydrophobicContact CD1-CG2 3.96Å; V638-V643 HydrophobicContact CB-CB 4.22Å; V638-V643 HydrophobicContact CG1-CB 4.14Å; V638-V643 HydrophobicContact CG2-CB 4.16Å; V638-V643 HydrophobicContact CG2-CG1 4.3Å; V638-V643 PolarHBondContact O-N 2.96Å; H641-V643 VanDerWaalsContact C-N 3.31Å; H641-V643 HydrophobicContact CB-CG2 4.48Å; H641-V643 PolarHBondContact O-N 3.02Å; V643-T645 WeakPolarHBondContact CG1-O 3.38Å; V643-I646 HydrophobicContact CG1-CG1 3.93Å; V643-V774 WeakPolarHBondContact O-CG2 3.42Å; V643-P849 HydrophobicContact CG2-CG 4.19Å; V643-L851 HydrophobicContact CG1-CB 3.44Å; V643-L851 VanDerWaalsContact CG1-CB 3.44Å; V643-L851 HydrophobicContact CG1-CD1 4.28Å; V643-L851 HydrophobicContact CG2-CB 4.33Å; V643-L851 HydrophobicContact CG2-CD1 4.29Å
644	I	96.3	Very high	94.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.117	C	C	.	.			trans	-82.2	-17.1	-179.5	62.7	166.8	0	0	0	113.8	K642 L772 V774 Y775 R808 S809 L812 C848	K642-I644 PolarHBondContact O-N 2.8Å; I644-L772 HydrophobicContact CG2-CD1 4.15Å; I644-V774 CarbonylContact O-C 3.55Å; I644-V774 WeakPolarHBondContact O-CA 3.49Å; I644-Y775 PolarHBondContact O-N 3.03Å; I644-R808 HydrophobicContact CD1-CB 3.83Å; I644-R808 PolarHBondContact O-NH1 2.9Å; I644-S809 VanDerWaalsContact CD1-OG 3.29Å; I644-S809 WeakPolarHBondContact CD1-OG 3.3Å; I644-L812 HydrophobicContact CB-CD1 4.45Å; I644-L812 HydrophobicContact CD1-CD1 4.02Å; I644-L812 HydrophobicContact CG2-CD1 3.49Å; I644-L812 VanDerWaalsContact CG2-CD1 3.49Å; I644-C848 HydrophobicContact CD1-CB 4.31Å; I644-C848 HydrophobicContact CG1-CB 4.11Å; I644-C848 HydrophobicContact CG2-CB 4.43Å
645	T	97.9	Very high	93.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	129.3	-177.4	-54.6	0	0	0	0	110.2	V643 Y775 Y777 V801 H805 R808 L850 L851	V643-T645 WeakPolarHBondContact CG1-O 3.38Å; T645-Y775 WeakPolarHBondContact CA-O 3.26Å; T645-Y777 HydrophobicContact CG2-CD2 3.82Å; T645-Y777 HydrophobicContact CG2-CE2 3.85Å; T645-V801 HydrophobicContact CG2-CG1 3.91Å; T645-H805 HydrophobicContact CG2-CB 4.42Å; T645-H805 PolarHBondContact OG1-ND1 3.3Å; T645-R808 PolarHBondContact OG1-NH1 3.46Å; T645-L850 HydrophobicContact CG2-CD1 3.43Å; T645-L850 VanDerWaalsContact CG2-CD1 3.43Å; T645-L851 PolarHBondContact O-N 2.83Å; T645-L851 VanDerWaalsContact O-N 3.17Å
646	I	98.6	Very high	92.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.6	175.9	-62.1	170.6	0	0	0	108.8	F634 W635 V638 V643 Y663 V774 Y775 Y777 L851	F634-I646 HydrophobicContact CE1-CD1 4.05Å; F634-I646 HydrophobicContact CZ-CD1 4.29Å; F634-I646 HydrophobicContact CZ-CG2 4.29Å; W635-I646 HydrophobicContact CH2-CD1 4.25Å; W635-I646 HydrophobicContact CZ3-CD1 4.24Å; V638-I646 HydrophobicContact CG2-CD1 3.77Å; V638-I646 HydrophobicContact CG2-CG1 4.37Å; V643-I646 HydrophobicContact CG1-CG1 3.93Å; I646-Y663 WeakPolarHBondContact CG2-OH 3.1Å; I646-V774 HydrophobicContact CD1-CG1 3.7Å; I646-V774 HydrophobicContact CG1-CG1 3.82Å; I646-Y775 PolarHBondContact N-O 3.4Å; I646-Y777 PolarHBondContact O-N 3.3Å; I646-L851 CarbonylContact C-O 3.59Å; I646-L851 WeakPolarHBondContact CA-O 3.22Å; I646-L851 HydrophobicContact CG1-CB 4.46Å; I646-L851 HydrophobicContact CG2-CD2 4.21Å
647	I	98.4	Very high	91.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.7	171.7	-57.1	-175.5	0	0	0	109.6	L649 F797 V801 L850 L851 V852 H853 F864	I647-L649 HydrophobicContact CG2-CD2 3.57Å; I647-L649 HydrophobicContact CG2-CG 3.88Å; I647-F797 HydrophobicContact CG2-CE1 4.06Å; I647-F797 HydrophobicContact CG2-CZ 4.05Å; I647-V801 HydrophobicContact CD1-CB 4.28Å; I647-V801 HydrophobicContact CD1-CG1 3.6Å; I647-V801 HydrophobicContact CG1-CG1 3.88Å; I647-L850 HydrophobicContact CD1-CD1 3.99Å; I647-L850 HydrophobicContact CD1-CD2 3.94Å; I647-L850 HydrophobicContact CD1-CG 4.22Å; I647-L850 HydrophobicContact CG1-CD1 4.01Å; I647-L851 PolarHBondContact N-O 3.35Å; I647-V852 HydrophobicContact CB-CB 4.47Å; I647-V852 HydrophobicContact CB-CG1 4.14Å; I647-V852 HydrophobicContact CB-CG2 4.27Å; I647-V852 HydrophobicContact CD1-CG2 4.25Å; I647-V852 HydrophobicContact CG2-CG1 4.24Å; I647-H853 PolarHBondContact O-CD2 2.65Å; I647-H853 PolarHBondContact O-N 3.26Å; I647-F864 HydrophobicContact CD1-CE1 3.66Å; I647-F864 HydrophobicContact CD1-CE2 4.06Å; I647-F864 HydrophobicContact CD1-CZ 3.37Å
648	M	98	Very high	91.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	105.6	176.4	179.2	160.6	178.6	0	0	109.9	T650 V652 C660 Y663 W664 Y777 L778 Y779 H853	M648-T650 VanDerWaalsContact C-N 3.31Å; M648-T650 HydrophobicContact CE-CG2 4.21Å; M648-T650 WeakPolarHBondContact CE-O 3.35Å; M648-T650 VanDerWaalsContact CG-O 3.31Å; M648-T650 WeakPolarHBondContact CG-O 3.34Å; M648-T650 PolarHBondContact O-N 3.3Å; M648-V652 HydrophobicContact CE-CG2 4.42Å; M648-C660 HydrophobicContact CE-CB 3.68Å; M648-Y663 HydrophobicContact SD-CE1 3.88Å; M648-W664 HydrophobicContact CE-CH2 3.71Å; M648-W664 HydrophobicContact CE-CZ3 3.78Å; M648-W664 HydrophobicContact SD-CE3 4.42Å; M648-W664 HydrophobicContact SD-CH2 3.42Å; M648-W664 WeakPolarHBondContact SD-CH2 3.44Å; M648-W664 HydrophobicContact SD-CZ2 4.41Å; M648-W664 HydrophobicContact SD-CZ3 3.42Å; M648-W664 WeakPolarHBondContact SD-CZ3 3.41Å; M648-Y777 PolarHBondContact N-O 2.79Å; M648-L778 HydrophobicContact CB-CD1 4.25Å; M648-L778 HydrophobicContact CE-CD1 4.47Å; M648-L778 HydrophobicContact CG-CD1 3.75Å; M648-L778 HydrophobicContact SD-CD1 4.23Å; M648-Y779 PolarHBondContact O-N 3.4Å; M648-H853 WeakPolarHBondContact CB-NE2 3.46Å; M648-H853 VanDerWaalsContact CG-CE1 3.42Å; M648-H853 WeakPolarHBondContact CG-CE1 3.36Å; M648-H853 VanDerWaalsContact CG-NE2 3.33Å; M648-H853 WeakPolarHBondContact CG-NE2 3.39Å
649	L	96.5	Very high	91	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.			trans	-93.3	27.5	-177.9	-57.3	174.4	0	0	0	112.7	I647 W782 F797 V852 H853 C854 R860 F864	I647-L649 HydrophobicContact CG2-CD2 3.57Å; I647-L649 HydrophobicContact CG2-CG 3.88Å; L649-W782 HydrophobicContact CD1-CZ3 4.45Å; L649-F797 HydrophobicContact CD2-CE1 4.12Å; L649-V852 HydrophobicContact CD1-CG1 3.84Å; L649-V852 HydrophobicContact CG-CG1 4.39Å; L649-H853 PolarHBondContact N-O 2.99Å; L649-C854 HydrophobicContact CB-CB 4.1Å; L649-R860 HydrophobicContact CB-CB 4.01Å; L649-R860 HydrophobicContact CD1-CB 4.09Å; L649-R860 WeakPolarHBondContact CD1-O 3.38Å; L649-R860 WeakPolarHBondContact O-CD 3.16Å; L649-R860 PolarHBondContact O-NH1 3Å; L649-F864 HydrophobicContact CD1-CB 3.84Å; L649-F864 HydrophobicContact CD1-CG 4.36Å; L649-F864 HydrophobicContact CD2-CD2 4.36Å
650	T	93	Very high	91	Very high	2 Å²	2	43 Å²	43	1%	0.012	23%	0.225	C	C	.	.	S	Bend	trans	-156.2	151	-176.5	-160.2	0	0	0	0	111.1	M648 E654 K659 C660 L778 R860	M648-T650 VanDerWaalsContact C-N 3.31Å; M648-T650 HydrophobicContact CE-CG2 4.21Å; M648-T650 WeakPolarHBondContact CE-O 3.35Å; M648-T650 VanDerWaalsContact CG-O 3.31Å; M648-T650 WeakPolarHBondContact CG-O 3.34Å; M648-T650 PolarHBondContact O-N 3.3Å; T650-E654 WeakPolarHBondContact CA-OE1 3.29Å; T650-E654 WeakPolarHBondContact CB-OE1 3.35Å; T650-E654 PolarHBondContact OG1-OE1 3.39Å; T650-K659 HydrophobicContact CG2-CB 4.01Å; T650-K659 VanDerWaalsContact OG1-CB 3.27Å; T650-K659 WeakPolarHBondContact OG1-CB 3.44Å; T650-K659 WeakPolarHBondContact OG1-CG 3.12Å; T650-C660 HydrophobicContact CG2-CB 4.12Å; T650-L778 VanDerWaalsContact O-CD1 3.24Å; T650-L778 WeakPolarHBondContact O-CD1 3.32Å; T650-R860 PolarHBondContact OG1-NH1 2.65Å
651	K	91.7	Very high	91.1	Very high	92 Å²	92	40.6 Å²	40.6	40%	0.4	22%	0.215	S	C	.	.			trans	-82.9	156.9	169.7	-58.5	172.7	-175.7	171.8	0	109.1	V653 E654 K659 L780	K651-V653 PolarHBondContact O-N 2.74Å; K651-E654 HydrophobicContact CB-CG 3.81Å; K651-E654 HydrophobicContact CG-CG 4.44Å; K651-E654 PolarHBondContact N-OE1 2.93Å; K651-K659 WeakPolarHBondContact O-CB 3.31Å; K651-L780 WeakPolarHBondContact CE-O 3.33Å; K651-L780 PolarHBondContact NZ-O 2.78Å; K651-L780 VanDerWaalsContact NZ-O 3.12Å
652	V	91.6	Very high	91.1	Very high	52 Å²	52	41.8 Å²	41.8	32%	0.315	22%	0.222	S	C	.	.	S	Bend	trans	-50.9	-45.5	177.5	177.6	0	0	0	0	110.8	M648 P658 K659 C660 L662 W664	M648-V652 HydrophobicContact CE-CG2 4.42Å; V652-P658 WeakPolarHBondContact O-CA 3.17Å; V652-K659 PolarHBondContact O-N 3Å; V652-C660 VanDerWaalsContact CG1-O 3.23Å; V652-C660 WeakPolarHBondContact CG1-O 3.21Å; V652-C660 PolarHBondContact O-N 3.2Å; V652-C660 VanDerWaalsContact O-O 3.12Å; V652-L662 HydrophobicContact CG2-CD1 4.33Å; V652-W664 HydrophobicContact CG2-CH2 4.34Å
653	V	87.1	Confident	91.3	Very high	73 Å²	73	36.7 Å²	36.7	44%	0.442	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.2	171.4	-177.8	0	0	0	0	109.3	K651 R657	K651-V653 PolarHBondContact O-N 2.74Å; V653-R657 WeakPolarHBondContact CA-O 3.47Å
654	E	82.5	Confident	91.3	Very high	18 Å²	18	37 Å²	37	8%	0.084	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.3	167	-49.8	165.8	-172	0	0	108.5	T650 K651 Q656 R657 K659 D784 R860	T650-E654 WeakPolarHBondContact CA-OE1 3.29Å; T650-E654 WeakPolarHBondContact CB-OE1 3.35Å; T650-E654 PolarHBondContact OG1-OE1 3.39Å; K651-E654 HydrophobicContact CB-CG 3.81Å; K651-E654 HydrophobicContact CG-CG 4.44Å; K651-E654 PolarHBondContact N-OE1 2.93Å; E654-Q656 PolarHBondContact O-N 3.41Å; E654-Q656 VanDerWaalsContact O-N 3.15Å; E654-R657 PolarHBondContact N-O 3.31Å; E654-R657 VanDerWaalsContact N-O 3.07Å; E654-R657 PolarHBondContact O-N 3.4Å; E654-R657 VanDerWaalsContact O-O 3.12Å; E654-K659 HydrophobicContact CB-CG 4.21Å; E654-K659 HydrophobicContact CG-CG 4Å; E654-K659 WeakPolarHBondContact OE2-CE 3.49Å; E654-K659 IonicContact OE2-NZ 3.76Å; E654-D784 HydrophobicContact CB-CB 4Å; E654-R860 IonicContact OE1-CZ 2.77Å; E654-R860 IonicContact OE1-NH1 3.9Å; E654-R860 PolarHBondContact OE1-NH1 2.95Å; E654-R860 IonicContact OE1-NH2 2.63Å; E654-R860 IonicContact OE2-CZ 3.55Å; E654-R860 IonicContact OE2-NH1 2.81Å; E654-R860 PolarHBondContact OE2-NH1 3.18Å; E654-R860 IonicContact OE2-NH2 3.29Å; E654-R860 PolarHBondContact OE2-NH2 2.92Å
655	G	75.2	Confident	91.1	Very high	59 Å²	59	37.4 Å²	37.4	61%	0.608	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	30.8	178.3	0	0	0	0	0	114.6	R657	G655-R657 PolarHBondContact O-N 3.14Å
656	Q	74.8	Confident	90.6	Very high	179 Å²	179	37.9 Å²	37.9	84%	0.836	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	20.9	-170.1	-54	-62.6	-7.8	0	0	115	E654	E654-Q656 PolarHBondContact O-N 3.41Å; E654-Q656 VanDerWaalsContact O-N 3.15Å
657	R	78.1	Confident	89.5	Confident	116 Å²	116	42.2 Å²	42.2	44%	0.438	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.4	176.6	-61.9	179.4	-176.8	179.7	2.7	110.5	V653 E654 G655 K659	V653-R657 WeakPolarHBondContact CA-O 3.47Å; E654-R657 PolarHBondContact N-O 3.31Å; E654-R657 VanDerWaalsContact N-O 3.07Å; E654-R657 PolarHBondContact O-N 3.4Å; E654-R657 VanDerWaalsContact O-O 3.12Å; G655-R657 PolarHBondContact O-N 3.14Å; R657-K659 PolarHBondContact O-N 3.05Å
658	P	87.6	Confident	87.8	Confident	87 Å²	87	46.3 Å²	46.3	57%	0.565	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	119.8	175.4	28.1	-33.2	0	0	0	110.4	R586 V652	R586-P658 PolarHBondContact NH1-O 3.32Å; V652-P658 WeakPolarHBondContact O-CA 3.17Å
659	K	91.7	Very high	85.4	Confident	16 Å²	16	49.3 Å²	49.3	7%	0.07	27%	0.269	C	S	.	.			trans	-99	-27.4	178	-50.3	-73.3	-172.6	167.4	0	112	R586 T650 K651 V652 E654 R657 D784 S855	R586-K659 WeakPolarHBondContact CD-O 3.12Å; R586-K659 VanDerWaalsContact CZ-C 3.48Å; R586-K659 PolarHBondContact NE-O 3.31Å; T650-K659 HydrophobicContact CG2-CB 4.01Å; T650-K659 VanDerWaalsContact OG1-CB 3.27Å; T650-K659 WeakPolarHBondContact OG1-CB 3.44Å; T650-K659 WeakPolarHBondContact OG1-CG 3.12Å; K651-K659 WeakPolarHBondContact O-CB 3.31Å; V652-K659 PolarHBondContact O-N 3Å; E654-K659 HydrophobicContact CB-CG 4.21Å; E654-K659 HydrophobicContact CG-CG 4Å; E654-K659 WeakPolarHBondContact OE2-CE 3.49Å; E654-K659 IonicContact OE2-NZ 3.76Å; R657-K659 PolarHBondContact O-N 3.05Å; K659-D784 VanDerWaalsContact CE-OD2 3.3Å; K659-D784 WeakPolarHBondContact CE-OD2 3.26Å; K659-D784 IonicContact NZ-OD1 3.28Å; K659-D784 PolarHBondContact NZ-OD1 3.4Å; K659-D784 IonicContact NZ-OD2 3.95Å; K659-D784 PolarHBondContact NZ-OD2 2.86Å; K659-S855 VanDerWaalsContact CA-OG 3.3Å; K659-S855 WeakPolarHBondContact CA-OG 3.36Å; K659-S855 WeakPolarHBondContact CB-OG 3.48Å; K659-S855 WeakPolarHBondContact O-CA 3.47Å; K659-S855 PolarHBondContact O-OG 3.24Å
660	C	94.8	Very high	82.5	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.02	30%	0.302	C	S	.	.	S	Bend	trans	-152.4	147.6	-176	-169.8	0	0	0	0	109	M648 T650 V652 Y663	M648-C660 HydrophobicContact CE-CB 3.68Å; T650-C660 HydrophobicContact CG2-CB 4.12Å; V652-C660 VanDerWaalsContact CG1-O 3.23Å; V652-C660 WeakPolarHBondContact CG1-O 3.21Å; V652-C660 PolarHBondContact O-N 3.2Å; V652-C660 VanDerWaalsContact O-O 3.12Å; C660-Y663 VanDerWaalsContact SG-CD1 3.57Å; C660-Y663 VanDerWaalsContact SG-CE1 3.55Å
661	A	95.4	Very high	79.5	Confident	6 Å²	6	58.3 Å²	58.3	5%	0.05	33%	0.332	C	S	.	.			trans	-76.8	164.6	165.1	0	0	0	0	0	110.5	P626 I631 Y663	P626-A661 VanDerWaalsContact O-CB 3.23Å; P626-A661 WeakPolarHBondContact O-CB 3.3Å; P626-A661 PolarHBondContact O-N 3.05Å; I631-A661 HydrophobicContact CD1-CB 4.18Å; A661-Y663 VanDerWaalsContact C-N 3.29Å; A661-Y663 PolarHBondContact O-N 3.27Å
662	L	94.7	Very high	76.6	Confident	66 Å²	66	61.4 Å²	61.4	35%	0.346	35%	0.352	S	S	.	.			trans	-82.6	76.8	174.3	-174.6	57.3	0	0	0	110.2	V652 W664 T666	V652-L662 HydrophobicContact CG2-CD1 4.33Å; L662-W664 VanDerWaalsContact C-N 3.27Å; L662-W664 HydrophobicContact CD1-CD2 4.3Å; L662-W664 HydrophobicContact CD1-CE3 4.14Å; L662-W664 HydrophobicContact CD1-CH2 4.11Å; L662-W664 HydrophobicContact CD1-CZ2 4.29Å; L662-W664 HydrophobicContact CD1-CZ3 4.04Å; L662-W664 PolarHBondContact O-N 3.38Å; L662-T666 HydrophobicContact CD1-CG2 3.78Å; L662-T666 HydrophobicContact CD2-CG2 3.98Å; L662-T666 HydrophobicContact CG-CG2 4.42Å
663	Y	96.8	Very high	73.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.369	C	S	.	.			trans	-79.5	0	-172.9	68.2	-99.9	0	0	0	115	P626 F634 W635 I646 M648 C660 A661 Y698 H776 H853	P626-Y663 HydrophobicContact CB-CD1 4.2Å; P626-Y663 HydrophobicContact CB-CG 4.47Å; P626-Y663 HydrophobicContact CG-CD1 3.78Å; P626-Y663 HydrophobicContact CG-CE1 4.21Å; P626-Y663 HydrophobicContact CG-CG 4.12Å; F634-Y663 AromaticContact CD1-CD2 3.9Å; F634-Y663 HydrophobicContact CD1-CD2 3.9Å; F634-Y663 HydrophobicContact CD1-CE2 4.13Å; F634-Y663 HydrophobicContact CD1-CG 4.42Å; F634-Y663 AromaticContact CE1-CD2 3.57Å; F634-Y663 HydrophobicContact CE1-CD2 3.57Å; F634-Y663 AromaticContact CE1-CE2 3.32Å; F634-Y663 HydrophobicContact CE1-CE2 3.32Å; F634-Y663 HydrophobicContact CE1-CG 4.33Å; F634-Y663 AromaticContact CE1-CZ 3.85Å; F634-Y663 HydrophobicContact CZ-CD2 4.38Å; F634-Y663 HydrophobicContact CZ-CE1 4.5Å; F634-Y663 AromaticContact CZ-CE2 3.82Å; F634-Y663 HydrophobicContact CZ-CE2 3.82Å; F634-Y663 AromaticContact CZ-CZ 3.86Å; W635-Y663 AromaticContact CZ2-CD2 3.79Å; W635-Y663 HydrophobicContact CZ2-CD2 3.79Å; W635-Y663 HydrophobicContact CZ2-CE2 4.2Å; W635-Y663 WeakPolarHBondContact CZ2-O 3.34Å; W635-Y663 PolarHBondContact NE1-O 2.85Å; I646-Y663 WeakPolarHBondContact CG2-OH 3.1Å; M648-Y663 HydrophobicContact SD-CE1 3.88Å; C660-Y663 VanDerWaalsContact SG-CD1 3.57Å; C660-Y663 VanDerWaalsContact SG-CE1 3.55Å; A661-Y663 VanDerWaalsContact C-N 3.29Å; A661-Y663 PolarHBondContact O-N 3.27Å; Y663-Y698 VanDerWaalsContact C-OH 3.29Å; Y663-Y698 WeakPolarHBondContact O-CE2 3.23Å; Y663-Y698 VanDerWaalsContact O-CZ 3.24Å; Y663-Y698 PolarHBondContact O-OH 3.41Å; Y663-H776 AromaticContact CE2-NE2 3.89Å; Y663-H776 AromaticContact CZ-NE2 3.52Å; Y663-H776 PolarHBondContact OH-CD2 3.02Å; Y663-H776 PolarHBondContact OH-NE2 2.89Å; Y663-H853 AromaticContact CE1-CE1 3.78Å; Y663-H853 AromaticContact CE1-NE2 3.45Å; Y663-H853 WeakPolarHBondContact CE1-NE2 3.47Å; Y663-H853 AromaticContact CZ-NE2 3.52Å; Y663-H853 PolarHBondContact OH-CD2 3.09Å; Y663-H853 PolarHBondContact OH-NE2 3.46Å
664	W	96.4	Very high	70.8	Confident	8 Å²	8	69.2 Å²	69.2	3%	0.03	39%	0.388	C	S	.	.	S	Bend	trans	-137.6	148.8	178.6	76.2	104.2	0	0	0	111.2	W635 M648 V652 L662 T666 Y698 L721 H776 L778	W635-W664 HydrophobicContact CZ2-CB 4.05Å; M648-W664 HydrophobicContact CE-CH2 3.71Å; M648-W664 HydrophobicContact CE-CZ3 3.78Å; M648-W664 HydrophobicContact SD-CE3 4.42Å; M648-W664 HydrophobicContact SD-CH2 3.42Å; M648-W664 WeakPolarHBondContact SD-CH2 3.44Å; M648-W664 HydrophobicContact SD-CZ2 4.41Å; M648-W664 HydrophobicContact SD-CZ3 3.42Å; M648-W664 WeakPolarHBondContact SD-CZ3 3.41Å; V652-W664 HydrophobicContact CG2-CH2 4.34Å; L662-W664 VanDerWaalsContact C-N 3.27Å; L662-W664 HydrophobicContact CD1-CD2 4.3Å; L662-W664 HydrophobicContact CD1-CE3 4.14Å; L662-W664 HydrophobicContact CD1-CH2 4.11Å; L662-W664 HydrophobicContact CD1-CZ2 4.29Å; L662-W664 HydrophobicContact CD1-CZ3 4.04Å; L662-W664 PolarHBondContact O-N 3.38Å; W664-T666 PolarHBondContact O-N 3.07Å; W664-Y698 WeakPolarHBondContact CA-OH 3.31Å; W664-Y698 PolarHBondContact N-OH 3.39Å; W664-L721 HydrophobicContact CB-CD1 4Å; W664-L721 HydrophobicContact CG-CD1 4.41Å; W664-H776 AromaticContact CD2-CE1 3.91Å; W664-H776 AromaticContact CD2-NE2 3.98Å; W664-H776 AromaticContact CE2-CE1 3.6Å; W664-H776 AromaticContact CE3-NE2 3.99Å; W664-H776 AromaticContact CH2-CE1 3.97Å; W664-H776 AromaticContact CZ2-CE1 3.64Å; W664-L778 HydrophobicContact CZ2-CD2 4.49Å
665	P	93.4	Very high	68.4	Low	9 Å²	9	75.5 Å²	75.5	6%	0.058	42%	0.422	C	S	.	.			trans	-64.8	131.9	172.9	22.8	-29	0	0	0	110.9	I694 A696 V703 N705	P665-I694 HydrophobicContact CB-CB 4.28Å; P665-I694 HydrophobicContact CB-CG2 3.79Å; P665-I694 WeakPolarHBondContact CB-O 3.37Å; P665-I694 WeakPolarHBondContact CG-O 3.47Å; P665-A696 HydrophobicContact CB-CB 4.36Å; P665-A696 HydrophobicContact CG-CB 4.33Å; P665-V703 HydrophobicContact CG-CG1 4.29Å; P665-N705 HydrophobicContact CB-CB 4.38Å; P665-N705 HydrophobicContact CG-CB 4.11Å; P665-N705 PolarHBondContact O-ND2 2.91Å
666	T	87.1	Confident	66.2	Low	10 Å²	10	80.8 Å²	80.8	6%	0.061	43%	0.431	C	S	.	.			trans	-136.7	149.6	178.8	177.7	0	0	0	0	109.1	L662 W664 T668 S669 E708 K717	L662-T666 HydrophobicContact CD1-CG2 3.78Å; L662-T666 HydrophobicContact CD2-CG2 3.98Å; L662-T666 HydrophobicContact CG-CG2 4.42Å; W664-T666 PolarHBondContact O-N 3.07Å; T666-T668 PolarHBondContact O-N 2.9Å; T666-T668 PolarHBondContact OG1-OG1 3.32Å; T666-S669 PolarHBondContact O-N 3.02Å; T666-S669 PolarHBondContact O-OG 2.91Å; T666-E708 PolarHBondContact OG1-OE1 2.66Å; T666-K717 PolarHBondContact OG1-NZ 2.96Å; T666-K717 VanDerWaalsContact OG1-NZ 3.07Å
667	R	74.9	Confident	64	Low	91 Å²	91	77.4 Å²	77.4	34%	0.343	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-11.7	-178.1	-65.5	176.5	-179.2	-174.7	1.4	114.5	T691 I694 E708	R667-T691 VanDerWaalsContact NH2-CB 3.26Å; R667-T691 PolarHBondContact NH2-OG1 3.5Å; R667-I694 HydrophobicContact CB-CD1 4.29Å; R667-I694 HydrophobicContact CG-CD1 3.81Å; R667-E708 WeakPolarHBondContact CG-OE2 3.46Å; R667-E708 PolarHBondContact N-OE2 3.19Å
668	T	62.6	Low	61.9	Low	86 Å²	86	79.3 Å²	79.3	53%	0.528	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-0	-175.6	-16.9	0	0	0	0	114.6	T666	T666-T668 PolarHBondContact O-N 2.9Å; T666-T668 PolarHBondContact OG1-OG1 3.32Å
669	S	48.2	Very low	59.3	Low	62 Å²	62	81 Å²	81	43%	0.434	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-74.9	-23.2	-175.8	56.6	0	0	0	0	114.2	T666 S671	T666-S669 PolarHBondContact O-N 3.02Å; T666-S669 PolarHBondContact O-OG 2.91Å; S669-S671 PolarHBondContact O-N 3.27Å
670	S	34.9	Very low	56.3	Low	101 Å²	101	92.4 Å²	92.4	71%	0.706	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-83	-0.9	-170.6	51.1	0	0	0	0	115.7
671	S	29.1	Very low	53.5	Low	91 Å²	91	97 Å²	97	64%	0.636	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-127.1	26.9	-172.3	76.5	0	0	0	0	114.7	S669	S669-S671 PolarHBondContact O-N 3.27Å
672	L	32.5	Very low	50.5	Low	156 Å²	156	101.8 Å²	101.8	82%	0.817	56%	0.564	S	S	*	*	S	Bend	trans	-117.9	12.6	-179.9	-90.3	163.3	0	0	0	114
673	S	27.2	Very low	47.6	Very low	98 Å²	98	105.3 Å²	105.3	69%	0.685	59%	0.587	S	S	*	*	S	Bend	trans	-120.7	121.7	169.1	48.1	0	0	0	0	110.7
674	K	28.9	Very low	44.6	Very low	191 Å²	191	112.8 Å²	112.8	83%	0.83	62%	0.622	S	S	*	*	S	Bend	trans	78.2	129.6	174.4	-55.7	-174.6	179.5	-177.4	0	118.5
675	D	31.1	Very low	41.8	Very low	150 Å²	150	118.7 Å²	118.7	80%	0.802	66%	0.661	S	S	*	*			trans	67.5	172.5	149.7	-56.2	-39.4	0	0	0	121.1
676	Q	29.9	Very low	39	Very low	170 Å²	170	124.3 Å²	124.3	79%	0.794	70%	0.695	S	S	*	*			trans	-121.5	156	-142.8	-54.1	179.5	20.2	0	0	113.8
677	S	29.2	Very low	36.5	Very low	109 Å²	109	131 Å²	131	76%	0.762	73%	0.731	S	S	*	*			trans	47.8	90.3	146.7	61.4	0	0	0	0	119.9
678	I	32.9	Very low	34.4	Very low	155 Å²	155	133.1 Å²	133.1	80%	0.795	75%	0.754	S	S	*	*			trans	-137.5	133	142.4	-56	-177.6	0	0	0	108.7
679	P	32.7	Very low	33.3	Very low	122 Å²	122	138.1 Å²	138.1	79%	0.792	77%	0.768	S	S	*	*			trans	-72.4	146.1	174.4	-13.8	29.5	0	0	0	112.4
680	R	29.9	Very low	33.1	Very low	256 Å²	256	144 Å²	144	97%	0.966	79%	0.789	S	S	*	*			trans	-96.7	115.9	173.4	-76.2	-175.3	174.9	176.5	-1.9	112.1
681	S	35.5	Very low	33.7	Very low	100 Å²	100	143.2 Å²	143.2	70%	0.699	78%	0.779	S	S	*	*			trans	-110.8	147.9	154.7	53	0	0	0	0	109.7
682	S	32	Very low	35.2	Very low	107 Å²	107	143.7 Å²	143.7	75%	0.748	78%	0.781	S	S	*	*			trans	44.9	97.6	164.4	59	0	0	0	0	118.5
683	V	34.5	Very low	37	Very low	139 Å²	139	140.7 Å²	140.7	84%	0.842	77%	0.769	S	S	*	*			trans	-137.4	132.5	150.9	-173.9	0	0	0	0	108.3
684	H	34.5	Very low	39.9	Very low	158 Å²	158	138.5 Å²	138.5	73%	0.731	75%	0.749	S	S	*	*			trans	-79	159.9	178.5	-74.1	-103.6	0	0	0	111.9
685	P	36.4	Very low	42.8	Very low	131 Å²	131	132.2 Å²	132.2	85%	0.851	73%	0.729	S	S	*	*			trans	-64.5	136.8	167.9	28.8	-34.6	0	0	0	110.6
686	V	35.1	Very low	45.8	Very low	128 Å²	128	126.4 Å²	126.4	78%	0.776	70%	0.701	S	S	*	*			trans	-126.2	152.6	178.8	178	0	0	0	0	109
687	D	34.1	Very low	48.8	Very low	150 Å²	150	121.6 Å²	121.6	80%	0.802	69%	0.687	S	S	*	*			trans	-49.6	143.4	-161.4	-69.9	-85.7	0	0	0	118.7	K689	D687-K689 PolarHBondContact O-N 3.1Å
688	T	32.2	Very low	51.9	Low	136 Å²	136	118.1 Å²	118.1	83%	0.834	66%	0.657	S	S	*	*			trans	-84.2	91.1	169.5	51.4	0	0	0	0	111.8
689	K	37.9	Very low	54.7	Low	190 Å²	190	113.1 Å²	113.1	83%	0.826	64%	0.644	S	S	*	*	S	Bend	trans	-153	145	158.1	-104.8	151	-173.1	175.5	0	110.3	D687	D687-K689 PolarHBondContact O-N 3.1Å
690	H	44.9	Very low	57.6	Low	187 Å²	187	109.5 Å²	109.5	87%	0.866	62%	0.616	S	S	*	*			trans	49.1	68.8	-175.8	-63.9	-65.9	0	0	0	116.2
691	T	48	Very low	60.7	Low	83 Å²	83	97.5 Å²	97.5	51%	0.509	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-73.3	130.1	161.8	57.6	0	0	0	0	110.5	R667	R667-T691 VanDerWaalsContact NH2-CB 3.26Å; R667-T691 PolarHBondContact NH2-OG1 3.5Å
692	P	59.5	Low	63.6	Low	102 Å²	102	96.2 Å²	96.2	66%	0.662	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-67.6	134.7	-178.5	26.8	-34.5	0	0	0	112
693	T	71	Confident	66.6	Low	92 Å²	92	91.1 Å²	91.1	56%	0.564	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-73.2	138.9	174	-31.9	0	0	0	0	110	T704 N705	T693-T704 HydrophobicContact CG2-CG2 3.33Å; T693-N705 VanDerWaalsContact CG2-O 3.25Å; T693-N705 WeakPolarHBondContact CG2-O 3.1Å
694	I	87.1	Confident	69.5	Low	52 Å²	52	85.3 Å²	85.3	27%	0.267	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.4	-179.9	-54.6	178.8	0	0	0	109.3	P665 R667 N705	P665-I694 HydrophobicContact CB-CB 4.28Å; P665-I694 HydrophobicContact CB-CG2 3.79Å; P665-I694 WeakPolarHBondContact CB-O 3.37Å; P665-I694 WeakPolarHBondContact CG-O 3.47Å; R667-I694 HydrophobicContact CB-CD1 4.29Å; R667-I694 HydrophobicContact CG-CD1 3.81Å; I694-N705 PolarHBondContact O-N 3.03Å
695	S	91.3	Very high	72.4	Confident	60 Å²	60	78 Å²	78	42%	0.42	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	153.1	179	-56.6	0	0	0	0	112.8	V703 T704	S695-V703 CarbonylContact C-O 3.59Å; S695-V703 WeakPolarHBondContact CA-O 3.42Å; S695-T704 WeakPolarHBondContact OG-CB 3.49Å; S695-T704 WeakPolarHBondContact OG-CG2 3.38Å; S695-T704 PolarHBondContact OG-OG1 3.35Å
696	A	93.5	Very high	75.2	Confident	27 Å²	27	74.8 Å²	74.8	22%	0.223	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154	169.4	0	0	0	0	0	109.9	P665 Y698 V703	P665-A696 HydrophobicContact CB-CB 4.36Å; P665-A696 HydrophobicContact CG-CB 4.33Å; A696-Y698 HydrophobicContact CB-CE1 4.25Å; A696-Y698 HydrophobicContact CB-CE2 3.76Å; A696-Y698 WeakPolarHBondContact CB-OH 3.44Å; A696-V703 PolarHBondContact N-O 3.48Å; A696-V703 PolarHBondContact O-N 3.22Å
697	S	93.5	Very high	77.9	Confident	70 Å²	70	69.6 Å²	69.6	49%	0.49	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.1	172.1	-79.3	0	0	0	0	110.4	F701 K726	S697-F701 CarbonylContact C-O 3.07Å; S697-F701 WeakPolarHBondContact CA-O 3.34Å; S697-K726 PolarHBondContact OG-NZ 2.99Å
698	Y	93.8	Very high	80.7	Confident	36 Å²	36	64.4 Å²	64.4	14%	0.141	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	72.2	178.6	-55.8	-65.2	0	0	0	108.4	I631 W635 Y663 W664 A696 F701 V703	I631-Y698 HydrophobicContact CB-CD1 4.26Å; I631-Y698 HydrophobicContact CD1-CE1 4.49Å; I631-Y698 HydrophobicContact CG2-CD1 3.32Å; I631-Y698 HydrophobicContact CG2-CD2 4.17Å; I631-Y698 HydrophobicContact CG2-CE1 3.72Å; I631-Y698 HydrophobicContact CG2-CE2 4.5Å; I631-Y698 HydrophobicContact CG2-CG 3.56Å; W635-Y698 AromaticContact CD1-CD2 3.39Å; W635-Y698 AromaticContact CD1-CG 3.77Å; W635-Y698 HydrophobicContact CG-CD2 4.32Å; W635-Y698 AromaticContact NE1-CD2 3.3Å; W635-Y698 VanDerWaalsContact NE1-CD2 3.3Å; W635-Y698 AromaticContact NE1-CE2 3.54Å; Y663-Y698 VanDerWaalsContact C-OH 3.29Å; Y663-Y698 WeakPolarHBondContact O-CE2 3.23Å; Y663-Y698 VanDerWaalsContact O-CZ 3.24Å; Y663-Y698 PolarHBondContact O-OH 3.41Å; W664-Y698 WeakPolarHBondContact CA-OH 3.31Å; W664-Y698 PolarHBondContact N-OH 3.39Å; A696-Y698 HydrophobicContact CB-CE1 4.25Å; A696-Y698 HydrophobicContact CB-CE2 3.76Å; A696-Y698 WeakPolarHBondContact CB-OH 3.44Å; Y698-F701 PolarHBondContact N-O 3.25Å; Y698-V703 HydrophobicContact CD2-CB 4.27Å; Y698-V703 HydrophobicContact CD2-CG2 3.77Å; Y698-V703 HydrophobicContact CE2-CB 4.09Å; Y698-V703 HydrophobicContact CE2-CG2 4.04Å
699	G	91.6	Very high	83.6	Confident	49 Å²	49	59.6 Å²	59.6	51%	0.505	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	-127.6	-167	0	0	0	0	0	112.1	F701 K726	G699-F701 VanDerWaalsContact C-N 3.27Å; G699-F701 PolarHBondContact O-N 3.49Å; G699-K726 PolarHBondContact O-NZ 3.29Å
700	E	93	Very high	86.2	Confident	46 Å²	46	56.3 Å²	56.3	22%	0.215	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.8	174.8	65.7	-86.2	-131.5	0	0	113.1	R632 K726	R632-E700 WeakPolarHBondContact CD-OE2 3.38Å; R632-E700 IonicContact CZ-OE1 3.19Å; R632-E700 VanDerWaalsContact CZ-OE1 3.28Å; R632-E700 IonicContact CZ-OE2 2.72Å; R632-E700 VanDerWaalsContact NE-CD 3.34Å; R632-E700 IonicContact NE-OE1 3.36Å; R632-E700 PolarHBondContact NE-OE1 3.3Å; R632-E700 VanDerWaalsContact NE-OE1 3.08Å; R632-E700 IonicContact NE-OE2 2.65Å; R632-E700 PolarHBondContact NE-OE2 3.25Å; R632-E700 IonicContact NH2-OE1 2.79Å; R632-E700 PolarHBondContact NH2-OE1 3.14Å; R632-E700 IonicContact NH2-OE2 2.82Å; E700-K726 WeakPolarHBondContact O-CB 3.36Å; E700-K726 VanDerWaalsContact O-CG 3.25Å; E700-K726 WeakPolarHBondContact O-CG 3.41Å; E700-K726 PolarHBondContact O-N 2.9Å
701	F	95.2	Very high	88.3	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123	-179.6	-53.8	-71.2	0	0	0	111.4	R632 W635 M636 W639 S697 Y698 G699 V723 T724 C725	R632-F701 HydrophobicContact CG-CD2 4.47Å; R632-F701 HydrophobicContact CG-CE2 4.41Å; W635-F701 HydrophobicContact CB-CB 4Å; W635-F701 HydrophobicContact CB-CD2 3.82Å; W635-F701 HydrophobicContact CB-CG 3.88Å; M636-F701 HydrophobicContact CB-CE2 3.68Å; M636-F701 HydrophobicContact CB-CZ 3.86Å; M636-F701 HydrophobicContact CG-CE2 4.2Å; M636-F701 HydrophobicContact CG-CZ 4.01Å; W639-F701 HydrophobicContact CB-CD1 4.17Å; W639-F701 HydrophobicContact CB-CE1 3.57Å; W639-F701 HydrophobicContact CB-CZ 4.27Å; W639-F701 AromaticContact CD1-CE1 3.94Å; W639-F701 HydrophobicContact CD2-CD1 4.48Å; W639-F701 HydrophobicContact CD2-CE1 4.15Å; W639-F701 HydrophobicContact CG-CD1 4.27Å; W639-F701 AromaticContact CG-CE1 3.59Å; W639-F701 HydrophobicContact CG-CE1 3.59Å; S697-F701 CarbonylContact C-O 3.07Å; S697-F701 WeakPolarHBondContact CA-O 3.34Å; Y698-F701 PolarHBondContact N-O 3.25Å; G699-F701 VanDerWaalsContact C-N 3.27Å; G699-F701 PolarHBondContact O-N 3.49Å; F701-V723 HydrophobicContact CD1-CG1 4.46Å; F701-T724 WeakPolarHBondContact CA-O 3.45Å; F701-C725 HydrophobicContact CD1-CB 4.13Å; F701-C725 HydrophobicContact CE1-CB 4.09Å
702	Q	95.7	Very high	90.3	Very high	74 Å²	74	47.2 Å²	47.2	35%	0.346	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.2	164.8	176	172	-7.9	0	0	108.7	V723 T724	Q702-V723 CarbonylContact O-C 3.57Å; Q702-V723 WeakPolarHBondContact O-CA 3.28Å; Q702-T724 PolarHBondContact N-O 2.94Å; Q702-T724 PolarHBondContact O-N 3.04Å
703	V	96.4	Very high	91.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.8	-178.5	-177.7	0	0	0	0	108.1	W635 P665 S695 A696 Y698 L721 E722 V723	W635-V703 HydrophobicContact CD2-CG2 3.65Å; W635-V703 HydrophobicContact CE3-CG2 3.95Å; W635-V703 HydrophobicContact CG-CG2 4.1Å; W635-V703 HydrophobicContact CH2-CG1 3.84Å; W635-V703 HydrophobicContact CH2-CG2 4.28Å; W635-V703 HydrophobicContact CZ2-CB 4.47Å; W635-V703 HydrophobicContact CZ2-CG1 3.83Å; W635-V703 HydrophobicContact CZ2-CG2 3.98Å; W635-V703 HydrophobicContact CZ3-CG1 4.37Å; W635-V703 HydrophobicContact CZ3-CG2 4.26Å; P665-V703 HydrophobicContact CG-CG1 4.29Å; S695-V703 CarbonylContact C-O 3.59Å; S695-V703 WeakPolarHBondContact CA-O 3.42Å; A696-V703 PolarHBondContact N-O 3.48Å; A696-V703 PolarHBondContact O-N 3.22Å; Y698-V703 HydrophobicContact CD2-CB 4.27Å; Y698-V703 HydrophobicContact CD2-CG2 3.77Å; Y698-V703 HydrophobicContact CE2-CB 4.09Å; Y698-V703 HydrophobicContact CE2-CG2 4.04Å; V703-L721 HydrophobicContact CG1-CB 4.31Å; V703-L721 HydrophobicContact CG1-CD1 4.37Å; V703-E722 CarbonylContact C-O 3.5Å; V703-E722 WeakPolarHBondContact CA-O 3.35Å; V703-V723 HydrophobicContact CG2-CG1 4.33Å; V703-V723 HydrophobicContact CG2-CG2 4.33Å
704	T	95.5	Very high	92.2	Very high	16 Å²	16	44 Å²	44	10%	0.098	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	120.7	-169.9	-65.6	0	0	0	0	109.5	T693 S695 C706 L721 E722	T693-T704 HydrophobicContact CG2-CG2 3.33Å; S695-T704 WeakPolarHBondContact OG-CB 3.49Å; S695-T704 WeakPolarHBondContact OG-CG2 3.38Å; S695-T704 PolarHBondContact OG-OG1 3.35Å; T704-C706 PolarHBondContact O-N 2.91Å; T704-L721 CarbonylContact O-C 3.57Å; T704-L721 VanDerWaalsContact O-CA 3.3Å; T704-L721 WeakPolarHBondContact O-CA 3.41Å; T704-E722 PolarHBondContact N-O 3.32Å; T704-E722 PolarHBondContact O-N 3.4Å
705	N	95.4	Very high	92.3	Very high	4 Å²	4	42 Å²	42	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	104.9	178.3	-169.9	-39.6	0	0	0	110.3	P665 T693 I694 G707 E708 L721	P665-N705 HydrophobicContact CB-CB 4.38Å; P665-N705 HydrophobicContact CG-CB 4.11Å; P665-N705 PolarHBondContact O-ND2 2.91Å; T693-N705 VanDerWaalsContact CG2-O 3.25Å; T693-N705 WeakPolarHBondContact CG2-O 3.1Å; I694-N705 PolarHBondContact O-N 3.03Å; N705-G707 PolarHBondContact OD1-N 2.66Å; N705-G707 VanDerWaalsContact OD1-N 3.15Å; N705-G707 PolarHBondContact OD1-O 3Å; N705-E708 VanDerWaalsContact ND2-CD 3.32Å; N705-E708 WeakPolarHBondContact ND2-CG 3.26Å; N705-E708 PolarHBondContact ND2-OE1 3.45Å; N705-E708 VanDerWaalsContact OD1-CG 3.26Å; N705-E708 WeakPolarHBondContact OD1-CG 3.46Å; N705-L721 HydrophobicContact CB-CD2 3.83Å
706	C	94.1	Very high	92.5	Very high	65 Å²	65	39.6 Å²	39.6	44%	0.439	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-11.7	-176.7	-57.2	0	0	0	0	112.9	T704 V720	T704-C706 PolarHBondContact O-N 2.91Å; C706-V720 HydrophobicContact CB-CG1 4.39Å; C706-V720 PolarHBondContact N-O 3.02Å
707	G	91.7	Very high	92.5	Very high	18 Å²	18	39.6 Å²	39.6	19%	0.186	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.7	146.3	179.8	0	0	0	0	0	113.1	N705 S719 V720	N705-G707 PolarHBondContact OD1-N 2.66Å; N705-G707 VanDerWaalsContact OD1-N 3.15Å; N705-G707 PolarHBondContact OD1-O 3Å; G707-S719 CarbonylContact O-C 3.52Å; G707-S719 WeakPolarHBondContact O-CA 3.35Å; G707-V720 PolarHBondContact O-N 3.35Å
708	E	92.5	Very high	92.7	Very high	41 Å²	41	39 Å²	39	19%	0.192	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.1	178.1	-52.8	-164.8	124	0	0	110.2	T666 R667 N705 K717 R718	T666-E708 PolarHBondContact OG1-OE1 2.66Å; R667-E708 WeakPolarHBondContact CG-OE2 3.46Å; R667-E708 PolarHBondContact N-OE2 3.19Å; N705-E708 VanDerWaalsContact ND2-CD 3.32Å; N705-E708 WeakPolarHBondContact ND2-CG 3.26Å; N705-E708 PolarHBondContact ND2-OE1 3.45Å; N705-E708 VanDerWaalsContact OD1-CG 3.26Å; N705-E708 WeakPolarHBondContact OD1-CG 3.46Å; E708-K717 VanDerWaalsContact OE1-CE 3.29Å; E708-K717 WeakPolarHBondContact OE1-CE 3.49Å; E708-K717 IonicContact OE1-NZ 2.7Å; E708-K717 PolarHBondContact OE1-NZ 2.96Å; E708-K717 WeakPolarHBondContact OE2-CE 3.22Å; E708-K717 IonicContact OE2-NZ 3.8Å; E708-K717 PolarHBondContact OE2-NZ 3.44Å; E708-R718 WeakPolarHBondContact CA-O 3.42Å
709	S	93.4	Very high	92.8	Very high	36 Å²	36	37.3 Å²	37.3	25%	0.252	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.3	175.2	50.9	0	0	0	0	110.6	E711 K717 R718	S709-E711 WeakPolarHBondContact CB-OE1 3.46Å; S709-E711 PolarHBondContact OG-OE1 2.59Å; S709-K717 CarbonylContact O-C 3.59Å; S709-K717 VanDerWaalsContact O-CA 3.31Å; S709-K717 WeakPolarHBondContact O-CA 3.48Å; S709-K717 WeakPolarHBondContact O-CG 3.39Å; S709-R718 PolarHBondContact N-O 2.92Å; S709-R718 PolarHBondContact O-N 2.97Å
710	I	92.3	Very high	93	Very high	120 Å²	120	36.5 Å²	36.5	62%	0.615	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.8	164.8	-63.6	177.7	0	0	0	106.1	K717	I710-K717 HydrophobicContact CG1-CG 4.47Å
711	E	91	Very high	93.2	Very high	40 Å²	40	34.3 Å²	34.3	19%	0.187	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	165	-166.8	-72	174.5	-174.3	0	0	111	S709 G713 G714 L715 Y716 R718	S709-E711 WeakPolarHBondContact CB-OE1 3.46Å; S709-E711 PolarHBondContact OG-OE1 2.59Å; E711-G713 VanDerWaalsContact C-N 3.34Å; E711-G713 PolarHBondContact O-N 3.23Å; E711-G714 PolarHBondContact O-N 3.19Å; E711-L715 PolarHBondContact O-N 3.42Å; E711-Y716 HydrophobicContact CB-CD2 4.21Å; E711-Y716 HydrophobicContact CB-CE1 4.13Å; E711-Y716 HydrophobicContact CB-CE2 3.56Å; E711-Y716 VanDerWaalsContact CB-CZ 3.49Å; E711-Y716 HydrophobicContact CG-CE2 4.35Å; E711-Y716 PolarHBondContact N-O 3.01Å; E711-Y716 WeakPolarHBondContact OE2-CE2 3.41Å; E711-Y716 PolarHBondContact OE2-OH 3.02Å; E711-Y716 VanDerWaalsContact OE2-OH 3.05Å; E711-R718 IonicContact OE1-CZ 3.28Å; E711-R718 IonicContact OE1-NE 2.89Å; E711-R718 PolarHBondContact OE1-NE 3.42Å; E711-R718 IonicContact OE1-NH2 2.79Å; E711-R718 PolarHBondContact OE1-NH2 3.15Å; E711-R718 IonicContact OE2-NE 3.84Å; E711-R718 PolarHBondContact OE2-NE 2.67Å
712	A	88.5	Confident	93.2	Very high	39 Å²	39	36.4 Å²	36.4	32%	0.322	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	45.6	52.3	-177.1	0	0	0	0	0	113.7	G714 L715 Y716	A712-G714 VanDerWaalsContact C-N 3.28Å; A712-G714 PolarHBondContact O-N 3.16Å; A712-L715 HydrophobicContact CB-CB 4.13Å; A712-L715 HydrophobicContact CB-CD2 4.18Å; A712-L715 VanDerWaalsContact O-CB 3.3Å; A712-L715 WeakPolarHBondContact O-CB 3.45Å; A712-L715 PolarHBondContact O-N 3.16Å; A712-Y716 HydrophobicContact CB-CD1 4.21Å; A712-Y716 HydrophobicContact CB-CE1 3.7Å
713	G	84.7	Confident	93.2	Very high	94 Å²	94	32.9 Å²	32.9	97%	0.969	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	74.5	5.1	173.1	0	0	0	0	0	116.4	E711	E711-G713 VanDerWaalsContact C-N 3.34Å; E711-G713 PolarHBondContact O-N 3.23Å
714	G	86.2	Confident	93.2	Very high	34 Å²	34	34 Å²	34	35%	0.351	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	116.1	-3.5	-174.6	0	0	0	0	0	114.2	E711 A712 Y716 L780	E711-G714 PolarHBondContact O-N 3.19Å; A712-G714 VanDerWaalsContact C-N 3.28Å; A712-G714 PolarHBondContact O-N 3.16Å; G714-Y716 VanDerWaalsContact C-N 3.35Å; G714-Y716 PolarHBondContact O-N 2.91Å; G714-L780 WeakPolarHBondContact O-CD1 3.49Å
715	L	89.8	Confident	92.9	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.042	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-37.9	-177.6	179.1	60.3	0	0	0	113.6	E711 A712 Y779 L780 E793 F797	E711-L715 PolarHBondContact O-N 3.42Å; A712-L715 HydrophobicContact CB-CB 4.13Å; A712-L715 HydrophobicContact CB-CD2 4.18Å; A712-L715 VanDerWaalsContact O-CB 3.3Å; A712-L715 WeakPolarHBondContact O-CB 3.45Å; A712-L715 PolarHBondContact O-N 3.16Å; L715-Y779 HydrophobicContact CD1-CD2 4.3Å; L715-Y779 HydrophobicContact CD1-CE2 3.41Å; L715-Y779 VanDerWaalsContact CD1-CE2 3.41Å; L715-Y779 HydrophobicContact CD2-CE2 4.47Å; L715-Y779 HydrophobicContact CG-CD2 4.41Å; L715-Y779 HydrophobicContact CG-CE2 3.84Å; L715-L780 WeakPolarHBondContact O-CB 3.49Å; L715-L780 PolarHBondContact O-N 3.01Å; L715-E793 HydrophobicContact CD1-CB 3.81Å; L715-E793 HydrophobicContact CD1-CG 4.32Å; L715-E793 HydrophobicContact CD2-CB 4.01Å; L715-E793 HydrophobicContact CD2-CG 4.39Å; L715-E793 VanDerWaalsContact CD2-O 3.29Å; L715-E793 WeakPolarHBondContact CD2-O 3.35Å; L715-F797 HydrophobicContact CD2-CB 4.16Å
716	Y	93.9	Very high	92.1	Very high	11 Å²	11	37.2 Å²	37.2	4%	0.043	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.1	178.8	67.1	-89.2	0	0	0	112.7	E711 A712 G714 R718 Y777 L778 F797	E711-Y716 HydrophobicContact CB-CD2 4.21Å; E711-Y716 HydrophobicContact CB-CE1 4.13Å; E711-Y716 HydrophobicContact CB-CE2 3.56Å; E711-Y716 VanDerWaalsContact CB-CZ 3.49Å; E711-Y716 HydrophobicContact CG-CE2 4.35Å; E711-Y716 PolarHBondContact N-O 3.01Å; E711-Y716 WeakPolarHBondContact OE2-CE2 3.41Å; E711-Y716 PolarHBondContact OE2-OH 3.02Å; E711-Y716 VanDerWaalsContact OE2-OH 3.05Å; A712-Y716 HydrophobicContact CB-CD1 4.21Å; A712-Y716 HydrophobicContact CB-CE1 3.7Å; G714-Y716 VanDerWaalsContact C-N 3.35Å; G714-Y716 PolarHBondContact O-N 2.91Å; Y716-R718 HydrophobicContact CE2-CB 4.34Å; Y716-Y777 AromaticContact CD2-CD1 3.81Å; Y716-Y777 HydrophobicContact CD2-CD1 3.81Å; Y716-Y777 HydrophobicContact CD2-CE1 4.35Å; Y716-Y777 AromaticContact CE2-CD1 3.74Å; Y716-Y777 HydrophobicContact CE2-CD1 3.74Å; Y716-Y777 AromaticContact CE2-CE1 3.8Å; Y716-Y777 HydrophobicContact CE2-CE1 3.8Å; Y716-L778 CarbonylContact C-O 3.59Å; Y716-L778 VanDerWaalsContact CA-O 3.29Å; Y716-L778 WeakPolarHBondContact CA-O 3.33Å; Y716-L778 WeakPolarHBondContact CB-O 3.42Å; Y716-F797 AromaticContact CD1-CD2 3.47Å; Y716-F797 HydrophobicContact CD1-CD2 3.47Å; Y716-F797 VanDerWaalsContact CD1-CD2 3.47Å; Y716-F797 HydrophobicContact CD1-CE2 4.08Å; Y716-F797 HydrophobicContact CD1-CG 4.46Å; Y716-F797 HydrophobicContact CD2-CD2 4.25Å; Y716-F797 HydrophobicContact CD2-CE2 4.07Å; Y716-F797 HydrophobicContact CE1-CD2 4.01Å; Y716-F797 AromaticContact CG-CD2 3.6Å; Y716-F797 HydrophobicContact CG-CD2 3.6Å; Y716-F797 AromaticContact CG-CE2 3.7Å; Y716-F797 HydrophobicContact CG-CE2 3.7Å
717	K	95	Very high	90.8	Very high	26 Å²	26	37.2 Å²	37.2	11%	0.113	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130	168.5	-177.5	-172.8	-175.2	-177.7	0	108.8	T666 E708 S709 I710 L778 L780	T666-K717 PolarHBondContact OG1-NZ 2.96Å; T666-K717 VanDerWaalsContact OG1-NZ 3.07Å; E708-K717 VanDerWaalsContact OE1-CE 3.29Å; E708-K717 WeakPolarHBondContact OE1-CE 3.49Å; E708-K717 IonicContact OE1-NZ 2.7Å; E708-K717 PolarHBondContact OE1-NZ 2.96Å; E708-K717 WeakPolarHBondContact OE2-CE 3.22Å; E708-K717 IonicContact OE2-NZ 3.8Å; E708-K717 PolarHBondContact OE2-NZ 3.44Å; S709-K717 CarbonylContact O-C 3.59Å; S709-K717 VanDerWaalsContact O-CA 3.31Å; S709-K717 WeakPolarHBondContact O-CA 3.48Å; S709-K717 WeakPolarHBondContact O-CG 3.39Å; I710-K717 HydrophobicContact CG1-CG 4.47Å; K717-L778 HydrophobicContact CB-CB 4.33Å; K717-L778 PolarHBondContact N-O 2.98Å; K717-L778 PolarHBondContact O-N 3.21Å; K717-L780 HydrophobicContact CB-CD1 4.3Å
718	R	96.2	Very high	89	Confident	58 Å²	58	38.2 Å²	38.2	22%	0.219	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.5	168.2	-177.8	172.6	61.3	99.6	1.5	109	E708 S709 E711 Y716 H776 Y777	E708-R718 WeakPolarHBondContact CA-O 3.42Å; S709-R718 PolarHBondContact N-O 2.92Å; S709-R718 PolarHBondContact O-N 2.97Å; E711-R718 IonicContact OE1-CZ 3.28Å; E711-R718 IonicContact OE1-NE 2.89Å; E711-R718 PolarHBondContact OE1-NE 3.42Å; E711-R718 IonicContact OE1-NH2 2.79Å; E711-R718 PolarHBondContact OE1-NH2 3.15Å; E711-R718 IonicContact OE2-NE 3.84Å; E711-R718 PolarHBondContact OE2-NE 2.67Å; Y716-R718 HydrophobicContact CE2-CB 4.34Å; R718-H776 CarbonylContact C-O 3.59Å; R718-H776 WeakPolarHBondContact CA-O 3.33Å; R718-Y777 HydrophobicContact CB-CD1 4.21Å; R718-Y777 HydrophobicContact CB-CE1 4.13Å; R718-Y777 WeakPolarHBondContact CD-OH 3.28Å; R718-Y777 HydrophobicContact CG-CD1 4.24Å; R718-Y777 HydrophobicContact CG-CE1 3.87Å
719	S	96.3	Very high	86.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.3	173.7	-32.6	0	0	0	0	108.8	G707 H776	G707-S719 CarbonylContact O-C 3.52Å; G707-S719 WeakPolarHBondContact O-CA 3.35Å; S719-H776 PolarHBondContact N-O 3.45Å; S719-H776 PolarHBondContact O-N 3.48Å
720	V	96.6	Very high	84	Confident	33 Å²	33	45.9 Å²	45.9	20%	0.2	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.5	174.5	-178.3	0	0	0	0	107.8	C706 G707 T773 Y775	C706-V720 HydrophobicContact CB-CG1 4.39Å; C706-V720 PolarHBondContact N-O 3.02Å; G707-V720 PolarHBondContact O-N 3.35Å; V720-T773 HydrophobicContact CG1-CG2 4.06Å; V720-Y775 HydrophobicContact CB-CE1 4.44Å; V720-Y775 HydrophobicContact CG1-CD1 4.24Å; V720-Y775 HydrophobicContact CG1-CE1 3.96Å; V720-Y775 HydrophobicContact CG2-CD1 4.06Å; V720-Y775 HydrophobicContact CG2-CE1 3.79Å
721	L	96.7	Very high	81.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.2	-175.7	-52.5	-179.9	0	0	0	109.5	W635 W664 V703 T704 N705 T773 V774 H776	W635-L721 HydrophobicContact CH2-CD1 3.78Å; W635-L721 HydrophobicContact CZ2-CD1 4.45Å; W664-L721 HydrophobicContact CB-CD1 4Å; W664-L721 HydrophobicContact CG-CD1 4.41Å; V703-L721 HydrophobicContact CG1-CB 4.31Å; V703-L721 HydrophobicContact CG1-CD1 4.37Å; T704-L721 CarbonylContact O-C 3.57Å; T704-L721 VanDerWaalsContact O-CA 3.3Å; T704-L721 WeakPolarHBondContact O-CA 3.41Å; N705-L721 HydrophobicContact CB-CD2 3.83Å; L721-T773 CarbonylContact O-C 3.6Å; L721-V774 HydrophobicContact CB-CB 4.46Å; L721-V774 PolarHBondContact N-O 3.35Å; L721-V774 PolarHBondContact O-N 2.91Å; L721-H776 HydrophobicContact CD1-CB 3.86Å; L721-H776 HydrophobicContact CG-CB 4.33Å
722	E	96.1	Very high	79	Confident	47 Å²	47	51.4 Å²	51.4	22%	0.22	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.3	164.4	-176	-178	98.6	0	0	108.6	V703 T704 T724 K771	V703-E722 CarbonylContact C-O 3.5Å; V703-E722 WeakPolarHBondContact CA-O 3.35Å; T704-E722 PolarHBondContact N-O 3.32Å; T704-E722 PolarHBondContact O-N 3.4Å; E722-T724 HydrophobicContact CG-CG2 4.32Å; E722-K771 HydrophobicContact CG-CD 4.39Å; E722-K771 WeakPolarHBondContact OE1-CE 3.14Å; E722-K771 IonicContact OE1-NZ 2.75Å; E722-K771 PolarHBondContact OE1-NZ 2.83Å; E722-K771 WeakPolarHBondContact OE2-CD 3.42Å; E722-K771 IonicContact OE2-NZ 2.8Å; E722-K771 PolarHBondContact OE2-NZ 2.82Å
723	V	95.6	Very high	76.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.1	173.9	-172.4	0	0	0	0	108.5	W635 W639 F701 Q702 V703 K771 L772 V774	W635-V723 HydrophobicContact CE3-CG1 4.43Å; W635-V723 HydrophobicContact CE3-CG2 3.87Å; W635-V723 HydrophobicContact CH2-CG2 4.49Å; W635-V723 HydrophobicContact CZ3-CG2 3.58Å; W639-V723 HydrophobicContact CE3-CB 4.41Å; W639-V723 HydrophobicContact CE3-CG1 3.9Å; W639-V723 HydrophobicContact CZ3-CG1 4.32Å; W639-V723 WeakPolarHBondContact CZ3-O 3.19Å; F701-V723 HydrophobicContact CD1-CG1 4.46Å; Q702-V723 CarbonylContact O-C 3.57Å; Q702-V723 WeakPolarHBondContact O-CA 3.28Å; V703-V723 HydrophobicContact CG2-CG1 4.33Å; V703-V723 HydrophobicContact CG2-CG2 4.33Å; V723-K771 WeakPolarHBondContact O-CA 3.44Å; V723-L772 HydrophobicContact CB-CB 4.44Å; V723-L772 PolarHBondContact N-O 3.07Å; V723-L772 PolarHBondContact O-N 3.39Å; V723-V774 HydrophobicContact CG2-CG2 3.84Å
724	T	95	Very high	73.9	Confident	25 Å²	25	60.8 Å²	60.8	15%	0.153	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148	172.5	67.3	0	0	0	0	110	F701 Q702 E722 N770 K771	F701-T724 WeakPolarHBondContact CA-O 3.45Å; Q702-T724 PolarHBondContact N-O 2.94Å; Q702-T724 PolarHBondContact O-N 3.04Å; E722-T724 HydrophobicContact CG-CG2 4.32Å; T724-N770 WeakPolarHBondContact CB-O 3.5Å; T724-K771 HydrophobicContact CG2-CG 3.92Å
725	C	90	Very high	71.3	Confident	6 Å²	6	64.7 Å²	64.7	4%	0.041	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.2	-179.9	-169.4	0	0	0	0	111.2	W639 F701 S727	W639-C725 HydrophobicContact CD2-CB 4.05Å; W639-C725 HydrophobicContact CE3-CB 4.4Å; W639-C725 HydrophobicContact CH2-CB 4Å; W639-C725 HydrophobicContact CZ2-CB 3.59Å; W639-C725 HydrophobicContact CZ3-CB 4.38Å; F701-C725 HydrophobicContact CD1-CB 4.13Å; F701-C725 HydrophobicContact CE1-CB 4.09Å; C725-S727 PolarHBondContact O-N 2.99Å; C725-S727 PolarHBondContact SG-OG 3.23Å; C725-S727 VanDerWaalsContact SG-OG 3.37Å
726	K	78.4	Confident	68.5	Low	81 Å²	81	70.4 Å²	70.4	35%	0.352	39%	0.39	S	S	.	.	S	Bend	trans	-71.6	-23.5	-172.6	-69.6	165.4	-166.1	161	0	114.7	S697 G699 E700 L729	S697-K726 PolarHBondContact OG-NZ 2.99Å; G699-K726 PolarHBondContact O-NZ 3.29Å; E700-K726 WeakPolarHBondContact O-CB 3.36Å; E700-K726 VanDerWaalsContact O-CG 3.25Å; E700-K726 WeakPolarHBondContact O-CG 3.41Å; E700-K726 PolarHBondContact O-N 2.9Å; K726-L729 PolarHBondContact O-N 3.12Å
727	S	65.9	Low	65.7	Low	64 Å²	64	76.8 Å²	76.8	45%	0.448	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-66.3	-39.6	177.6	47.7	0	0	0	0	112.2	C725 L729 N730	C725-S727 PolarHBondContact O-N 2.99Å; C725-S727 PolarHBondContact SG-OG 3.23Å; C725-S727 VanDerWaalsContact SG-OG 3.37Å; S727-L729 PolarHBondContact O-N 2.77Å; S727-N730 PolarHBondContact O-N 2.63Å
728	A	54.1	Low	62.6	Low	39 Å²	39	84.2 Å²	84.2	32%	0.322	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-66.2	2.8	179.6	0	0	0	0	0	114.8	N770	A728-N770 WeakPolarHBondContact CB-OD1 3.26Å; A728-N770 PolarHBondContact O-ND2 3.4Å; A728-N770 PolarHBondContact O-OD1 3.18Å
729	L	45.4	Very low	59.7	Low	119 Å²	119	89.9 Å²	89.9	62%	0.623	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-101.6	-11	172.2	-67.8	168.8	0	0	0	113.5	K726 S727 N770	K726-L729 PolarHBondContact O-N 3.12Å; S727-L729 PolarHBondContact O-N 2.77Å; L729-N770 WeakPolarHBondContact CD2-ND2 3.22Å
730	N	37.1	Very low	56.5	Low	119 Å²	119	93 Å²	93	64%	0.636	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-23.3	-170.5	-72.4	-6.6	0	0	0	115.1	S727 V732 H733	S727-N730 PolarHBondContact O-N 2.63Å; N730-V732 PolarHBondContact O-N 2.67Å; N730-H733 PolarHBondContact O-N 3.12Å
731	D	37.4	Very low	53.5	Low	148 Å²	148	97.2 Å²	97.2	79%	0.791	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	12.7	-172	-69.3	-32.1	0	0	0	115.4
732	V	39.4	Very low	50.7	Low	129 Å²	129	100.1 Å²	100.1	78%	0.782	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-17.4	175.3	-178.1	0	0	0	0	112.3	N730	N730-V732 PolarHBondContact O-N 2.67Å
733	H	36.1	Very low	47.6	Very low	164 Å²	164	108.5 Å²	108.5	76%	0.759	61%	0.606	S	S	*	*	S	Bend	trans	-139.4	77.5	-179.1	-93.5	28.8	0	0	0	112.6	N730	N730-H733 PolarHBondContact O-N 3.12Å
734	N	31.4	Very low	44.8	Very low	166 Å²	166	116 Å²	116	89%	0.888	64%	0.644	S	S	*	*			trans	173.1	95.9	135.3	-90.1	-30.5	0	0	0	111.4
735	S	30	Very low	42.3	Very low	115 Å²	115	119.5 Å²	119.5	80%	0.804	66%	0.659	S	S	*	*			trans	-85.4	154.1	166	-54.4	0	0	0	0	111.3
736	T	31.7	Very low	39.7	Very low	128 Å²	128	126.6 Å²	126.6	79%	0.785	69%	0.685	S	S	*	*			trans	86.6	92.5	168	-36.6	0	0	0	0	117.3
737	T	34.5	Very low	37.6	Very low	145 Å²	145	129.7 Å²	129.7	89%	0.89	71%	0.706	S	S	*	*				-160.7	161	123.1	7.7	0	0	0	0	110.5
738	H	30.4	Very low	36.2	Very low	183 Å²	183	137.1 Å²	137.1	85%	0.847	72%	0.724	S	S	*	*			trans	-102	-179.4	-167.1	-109.3	-110.4	0	0	0	113.7
739	I	34.9	Very low	35.5	Very low	176 Å²	176	141.1 Å²	141.1	90%	0.903	74%	0.736	S	S	*	*			trans	94.7	124.1	176.2	-52.7	156.8	0	0	0	112.7
740	G	29.7	Very low	35.1	Very low	67 Å²	67	143.9 Å²	143.9	69%	0.691	74%	0.743	S	S	*	*			cis	167	91.3	-6.4	0	0	0	0	0	112.6
741	V	33.2	Very low	34.9	Very low	120 Å²	120	143.2 Å²	143.2	73%	0.727	75%	0.748	S	S	*	*			trans	-126.6	173	-173.8	-167.4	0	0	0	0	111.6
742	S	37.4	Very low	34.9	Very low	62 Å²	62	145.1 Å²	145.1	43%	0.434	75%	0.749	S	S	.	*			trans	-71.5	170.1	-148.2	85.6	0	0	0	0	117.2	L744 E745	S742-L744 VanDerWaalsContact C-N 3.27Å; S742-L744 PolarHBondContact O-N 2.99Å; S742-E745 PolarHBondContact OG-OE2 3.25Å
743	R	31.5	Very low	34.5	Very low	223 Å²	223	146.3 Å²	146.3	84%	0.842	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-6.6	-175.8	-165.1	168.8	177	164.6	-2.9	114.3
744	L	37.1	Very low	34.2	Very low	156 Å²	156	146 Å²	146	82%	0.817	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-25	-173.3	-87.4	157.4	0	0	0	114.9	S742	S742-L744 VanDerWaalsContact C-N 3.27Å; S742-L744 PolarHBondContact O-N 2.99Å
745	E	42.7	Very low	34.3	Very low	99 Å²	99	144.7 Å²	144.7	46%	0.463	75%	0.749	S	S	.	*	G	3₁₀ helix	trans	-80.8	-24.9	-173.2	-71.1	148	105.7	0	0	113.7	S742 N747 R748	S742-E745 PolarHBondContact OG-OE2 3.25Å; E745-N747 PolarHBondContact O-N 3.01Å; E745-R748 PolarHBondContact O-N 2.87Å
746	R	34.9	Very low	34.4	Very low	155 Å²	155	146.3 Å²	146.3	59%	0.585	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-59.6	-17.2	-175.3	-90.1	179.6	-87.7	170.7	-12.1	116
747	N	34.5	Very low	34.3	Very low	146 Å²	146	148 Å²	148	78%	0.781	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-95.1	-9.8	177.1	-73.8	-4.3	0	0	0	113.8	E745	E745-N747 PolarHBondContact O-N 3.01Å
748	R	36.2	Very low	34.3	Very low	221 Å²	221	146.3 Å²	146.3	83%	0.834	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-16.6	-178.6	-128.7	173.3	179	163.1	-3.2	114	E745	E745-R748 PolarHBondContact O-N 2.87Å
749	Q	39.5	Very low	34.7	Very low	123 Å²	123	145.4 Å²	145.4	58%	0.575	74%	0.742	S	S	*	*	S	Bend	trans	-85.2	-21.8	178	-71.4	168.1	-38.9	0	0	113.6	S751 K752	Q749-S751 PolarHBondContact O-N 2.87Å; Q749-S751 VanDerWaalsContact O-N 3.12Å; Q749-K752 PolarHBondContact O-N 3.35Å; Q749-K752 VanDerWaalsContact O-N 3.11Å
750	K	37.3	Very low	34.6	Very low	177 Å²	177	145.1 Å²	145.1	77%	0.77	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-9.9	-178	-76.6	-168.8	171.9	-171.7	0	115.5
751	S	33.4	Very low	34.7	Very low	105 Å²	105	150 Å²	150	73%	0.734	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	7.1	174.1	55.5	0	0	0	0	114.2	Q749	Q749-S751 PolarHBondContact O-N 2.87Å; Q749-S751 VanDerWaalsContact O-N 3.12Å
752	K	38.2	Very low	34.7	Very low	188 Å²	188	149 Å²	149	82%	0.817	74%	0.738	S	S	*	*	S	Bend	trans	-125.1	10.6	175.3	-72.1	-167.3	173.7	-171.4	0	114.1	Q749	Q749-K752 PolarHBondContact O-N 3.35Å; Q749-K752 VanDerWaalsContact O-N 3.11Å
753	M	30.2	Very low	34.3	Very low	154 Å²	154	153.5 Å²	153.5	76%	0.759	76%	0.757	S	S	*	*			trans	-118.3	72	177.5	-73.4	-177.8	66.5	0	0	111.3
754	N	29	Very low	34.2	Very low	158 Å²	158	150.4 Å²	150.4	85%	0.845	76%	0.757	S	S	*	*	S	Bend	trans	-161.4	151.7	157	-99.9	-23.3	0	0	0	106.7
755	V	34	Very low	34	Very low	138 Å²	138	148.8 Å²	148.8	84%	0.836	75%	0.749	S	S	*	*	S	Bend	trans	65	76.7	-168.8	-166.2	0	0	0	0	113.4
756	Q	32.6	Very low	34	Very low	148 Å²	148	146.5 Å²	146.5	69%	0.692	74%	0.742	S	S	*	*			trans	-168.4	72	138.9	-158.4	70.8	-7.5	0	0	109.1
757	N	29.6	Very low	34.5	Very low	164 Å²	164	142.6 Å²	142.6	88%	0.877	73%	0.732	S	S	*	*			trans	-159.6	80.5	-178.4	-135.4	-2.5	0	0	0	112.4
758	S	34.6	Very low	35.2	Very low	110 Å²	110	138.9 Å²	138.9	77%	0.769	72%	0.718	S	S	*	*			trans	168.7	157.1	146.7	50.7	0	0	0	0	113.3
759	I	37.6	Very low	36.3	Very low	163 Å²	163	133.7 Å²	133.7	84%	0.836	71%	0.707	S	S	*	*			trans	69.6	126.7	166.5	-44.1	-167.3	0	0	0	117.3
760	K	33.3	Very low	38.2	Very low	171 Å²	171	130.5 Å²	130.5	74%	0.743	69%	0.694	S	S	*	*			trans	-103.5	169.6	170.7	-61.8	176.4	175.9	178.8	0	110.1
761	E	32.6	Very low	40.6	Very low	168 Å²	168	126.4 Å²	126.4	79%	0.785	68%	0.676	S	S	*	*			trans	65.7	119.1	161.7	-65.5	143.8	-127	0	0	114.1
762	S	32	Very low	43.5	Very low	101 Å²	101	121.9 Å²	121.9	71%	0.706	64%	0.644	S	S	*	*			cis	-170.8	160.1	45.6	45	0	0	0	0	113
763	N	29	Very low	46.2	Very low	155 Å²	155	116 Å²	116	83%	0.829	62%	0.624	S	S	*	*			trans	56.7	127	158.6	-60.1	-12.1	0	0	0	121	N765	N763-N765 PolarHBondContact O-N 2.6Å
764	D	29.4	Very low	49.4	Very low	158 Å²	158	108.7 Å²	108.7	85%	0.845	59%	0.588	S	S	*	*	S	Bend	trans	28.3	84.3	161.8	-78.1	-16.3	0	0	0	117.7
765	N	34.4	Very low	52.7	Low	123 Å²	123	103.8 Å²	103.8	66%	0.658	56%	0.557	S	S	*	*			trans	-160.7	176.8	140.4	-115	-64.1	0	0	0	114.3	N763	N763-N765 PolarHBondContact O-N 2.6Å
766	T	41.8	Very low	55.7	Low	50 Å²	50	97.2 Å²	97.2	31%	0.307	52%	0.518	S	S	.	.	S	Bend	trans	-51.5	140	179.7	52	0	0	0	0	115.2	L811 L812 S815	T766-L811 HydrophobicContact CG2-CD2 3.91Å; T766-L811 HydrophobicContact CG2-CG 4.29Å; T766-L812 HydrophobicContact CG2-CD2 4.3Å; T766-L812 HydrophobicContact CG2-CG 4.45Å; T766-S815 PolarHBondContact OG1-OG 3.09Å; T766-S815 VanDerWaalsContact OG1-OG 3.08Å
767	L	45.5	Very low	58.9	Low	73 Å²	73	90.3 Å²	90.3	38%	0.382	49%	0.485	S	S	.	.			trans	72.7	57.4	170.3	-149.1	101.1	0	0	0	117.3	L812	L767-L812 HydrophobicContact CB-CD2 3.99Å; L767-L812 HydrophobicContact CD1-CD2 4.03Å
768	S	49.6	Very low	62.1	Low	69 Å²	69	83.4 Å²	83.4	48%	0.483	45%	0.448	S	S	.	.			trans	-62.5	131.5	149.9	61.6	0	0	0	0	109.2	N770 K771	S768-N770 PolarHBondContact O-N 2.94Å; S768-K771 PolarHBondContact O-N 3.43Å
769	D	59	Low	64.9	Low	111 Å²	111	78.3 Å²	78.3	59%	0.594	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-27.1	-170.3	-77.1	-46.1	0	0	0	115.3
770	N	78.6	Confident	67.4	Low	56 Å²	56	72.8 Å²	72.8	30%	0.299	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	4.3	-177.4	-66.1	9	0	0	0	114.7	T724 A728 L729 S768	T724-N770 WeakPolarHBondContact CB-O 3.5Å; A728-N770 WeakPolarHBondContact CB-OD1 3.26Å; A728-N770 PolarHBondContact O-ND2 3.4Å; A728-N770 PolarHBondContact O-OD1 3.18Å; L729-N770 WeakPolarHBondContact CD2-ND2 3.22Å; S768-N770 PolarHBondContact O-N 2.94Å
771	K	89.2	Confident	69.5	Low	91 Å²	91	66.3 Å²	66.3	40%	0.396	37%	0.366	S	S	.	.			trans	-140.1	135.4	-178.8	-58	-164.9	160.3	-154.2	0	114.5	E722 V723 T724 S768	E722-K771 HydrophobicContact CG-CD 4.39Å; E722-K771 WeakPolarHBondContact OE1-CE 3.14Å; E722-K771 IonicContact OE1-NZ 2.75Å; E722-K771 PolarHBondContact OE1-NZ 2.83Å; E722-K771 WeakPolarHBondContact OE2-CD 3.42Å; E722-K771 IonicContact OE2-NZ 2.8Å; E722-K771 PolarHBondContact OE2-NZ 2.82Å; V723-K771 WeakPolarHBondContact O-CA 3.44Å; T724-K771 HydrophobicContact CG2-CG 3.92Å; S768-K771 PolarHBondContact O-N 3.43Å
772	L	93.7	Very high	72.1	Confident	11 Å²	11	58.7 Å²	58.7	6%	0.058	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119.5	173.1	178.1	65.1	0	0	0	111.2	V638 W639 I644 V723 V774	V638-L772 HydrophobicContact CG1-CD2 4.21Å; V638-L772 WeakPolarHBondContact O-CD2 3.49Å; W639-L772 HydrophobicContact CE3-CB 4.06Å; W639-L772 HydrophobicContact CE3-CD2 4.5Å; W639-L772 HydrophobicContact CZ3-CB 3.85Å; I644-L772 HydrophobicContact CG2-CD1 4.15Å; V723-L772 HydrophobicContact CB-CB 4.44Å; V723-L772 PolarHBondContact N-O 3.07Å; V723-L772 PolarHBondContact O-N 3.39Å; L772-V774 HydrophobicContact CD2-CG2 4.14Å; L772-V774 HydrophobicContact CG-CG2 3.97Å
773	T	95.3	Very high	74.2	Confident	65 Å²	65	56.4 Å²	56.4	40%	0.399	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	117.3	176.5	-53.6	0	0	0	0	111.2	V720 L721 R808	V720-T773 HydrophobicContact CG1-CG2 4.06Å; L721-T773 CarbonylContact O-C 3.6Å; T773-R808 PolarHBondContact O-NH2 3.23Å
774	V	97.1	Very high	75.8	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.4	-175.9	-172.7	0	0	0	0	110.4	V638 V643 I644 I646 L721 V723 L772	V638-V774 HydrophobicContact CG1-CG2 3.91Å; V643-V774 WeakPolarHBondContact O-CG2 3.42Å; I644-V774 CarbonylContact O-C 3.55Å; I644-V774 WeakPolarHBondContact O-CA 3.49Å; I646-V774 HydrophobicContact CD1-CG1 3.7Å; I646-V774 HydrophobicContact CG1-CG1 3.82Å; L721-V774 HydrophobicContact CB-CB 4.46Å; L721-V774 PolarHBondContact N-O 3.35Å; L721-V774 PolarHBondContact O-N 2.91Å; V723-V774 HydrophobicContact CG2-CG2 3.84Å; L772-V774 HydrophobicContact CD2-CG2 4.14Å; L772-V774 HydrophobicContact CG-CG2 3.97Å
775	Y	97.7	Very high	77.3	Confident	54 Å²	54	47.5 Å²	47.5	21%	0.212	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119	169.3	-77.8	12.7	0	0	0	109.3	I644 T645 I646 V720 Y777	I644-Y775 PolarHBondContact O-N 3.03Å; T645-Y775 WeakPolarHBondContact CA-O 3.26Å; I646-Y775 PolarHBondContact N-O 3.4Å; V720-Y775 HydrophobicContact CB-CE1 4.44Å; V720-Y775 HydrophobicContact CG1-CD1 4.24Å; V720-Y775 HydrophobicContact CG1-CE1 3.96Å; V720-Y775 HydrophobicContact CG2-CD1 4.06Å; V720-Y775 HydrophobicContact CG2-CE1 3.79Å; Y775-Y777 HydrophobicContact CD2-CE2 4.23Å; Y775-Y777 HydrophobicContact CG-CE2 4.49Å
776	H	97.9	Very high	79.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.1	177.9	-179	-88.9	0	0	0	110.1	Y663 W664 R718 S719 L721	Y663-H776 AromaticContact CE2-NE2 3.89Å; Y663-H776 AromaticContact CZ-NE2 3.52Å; Y663-H776 PolarHBondContact OH-CD2 3.02Å; Y663-H776 PolarHBondContact OH-NE2 2.89Å; W664-H776 AromaticContact CD2-CE1 3.91Å; W664-H776 AromaticContact CD2-NE2 3.98Å; W664-H776 AromaticContact CE2-CE1 3.6Å; W664-H776 AromaticContact CE3-NE2 3.99Å; W664-H776 AromaticContact CH2-CE1 3.97Å; W664-H776 AromaticContact CZ2-CE1 3.64Å; R718-H776 CarbonylContact C-O 3.59Å; R718-H776 WeakPolarHBondContact CA-O 3.33Å; S719-H776 PolarHBondContact N-O 3.45Å; S719-H776 PolarHBondContact O-N 3.48Å; L721-H776 HydrophobicContact CD1-CB 3.86Å; L721-H776 HydrophobicContact CG-CB 4.33Å
777	Y	98.1	Very high	81.7	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107	-179.4	-71.3	-90.7	0	0	0	110.4	T645 I646 M648 Y716 R718 Y775 F797 V801 S804	T645-Y777 HydrophobicContact CG2-CD2 3.82Å; T645-Y777 HydrophobicContact CG2-CE2 3.85Å; I646-Y777 PolarHBondContact O-N 3.3Å; M648-Y777 PolarHBondContact N-O 2.79Å; Y716-Y777 AromaticContact CD2-CD1 3.81Å; Y716-Y777 HydrophobicContact CD2-CD1 3.81Å; Y716-Y777 HydrophobicContact CD2-CE1 4.35Å; Y716-Y777 AromaticContact CE2-CD1 3.74Å; Y716-Y777 HydrophobicContact CE2-CD1 3.74Å; Y716-Y777 AromaticContact CE2-CE1 3.8Å; Y716-Y777 HydrophobicContact CE2-CE1 3.8Å; R718-Y777 HydrophobicContact CB-CD1 4.21Å; R718-Y777 HydrophobicContact CB-CE1 4.13Å; R718-Y777 WeakPolarHBondContact CD-OH 3.28Å; R718-Y777 HydrophobicContact CG-CD1 4.24Å; R718-Y777 HydrophobicContact CG-CE1 3.87Å; Y775-Y777 HydrophobicContact CD2-CE2 4.23Å; Y775-Y777 HydrophobicContact CG-CE2 4.49Å; Y777-F797 HydrophobicContact CD1-CE2 4.22Å; Y777-V801 HydrophobicContact CD1-CG2 3.54Å; Y777-V801 HydrophobicContact CD2-CG1 3.78Å; Y777-V801 HydrophobicContact CD2-CG2 4.17Å; Y777-V801 HydrophobicContact CE1-CG2 3.75Å; Y777-V801 HydrophobicContact CE2-CG1 3.91Å; Y777-V801 HydrophobicContact CE2-CG2 4.35Å; Y777-V801 HydrophobicContact CG-CG1 4.15Å; Y777-V801 HydrophobicContact CG-CG2 3.75Å; Y777-S804 WeakPolarHBondContact OH-CB 3.41Å; Y777-S804 PolarHBondContact OH-OG 3.45Å
778	L	96.7	Very high	83.8	Confident	19 Å²	19	40.3 Å²	40.3	10%	0.099	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	109.3	172.8	169	62.1	0	0	0	109.6	M648 T650 W664 Y716 K717 L780	M648-L778 HydrophobicContact CB-CD1 4.25Å; M648-L778 HydrophobicContact CE-CD1 4.47Å; M648-L778 HydrophobicContact CG-CD1 3.75Å; M648-L778 HydrophobicContact SD-CD1 4.23Å; T650-L778 VanDerWaalsContact O-CD1 3.24Å; T650-L778 WeakPolarHBondContact O-CD1 3.32Å; W664-L778 HydrophobicContact CZ2-CD2 4.49Å; Y716-L778 CarbonylContact C-O 3.59Å; Y716-L778 VanDerWaalsContact CA-O 3.29Å; Y716-L778 WeakPolarHBondContact CA-O 3.33Å; Y716-L778 WeakPolarHBondContact CB-O 3.42Å; K717-L778 HydrophobicContact CB-CB 4.33Å; K717-L778 PolarHBondContact N-O 2.98Å; K717-L778 PolarHBondContact O-N 3.21Å; L778-L780 HydrophobicContact CD2-CD2 3.94Å; L778-L780 HydrophobicContact CG-CD2 3.9Å
779	Y	95	Very high	85.3	Confident	3 Å²	3	42.6 Å²	42.6	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.4	175.6	-173.8	-101.6	0	0	0	110.4	M648 L715 W782 P788 F797	M648-Y779 PolarHBondContact O-N 3.4Å; L715-Y779 HydrophobicContact CD1-CD2 4.3Å; L715-Y779 HydrophobicContact CD1-CE2 3.41Å; L715-Y779 VanDerWaalsContact CD1-CE2 3.41Å; L715-Y779 HydrophobicContact CD2-CE2 4.47Å; L715-Y779 HydrophobicContact CG-CD2 4.41Å; L715-Y779 HydrophobicContact CG-CE2 3.84Å; Y779-W782 HydrophobicContact CD1-CB 3.89Å; Y779-W782 HydrophobicContact CD1-CE3 4.17Å; Y779-W782 HydrophobicContact CE1-CB 3.92Å; Y779-W782 HydrophobicContact CE1-CE3 4.14Å; Y779-P788 HydrophobicContact CE1-CG 4.35Å; Y779-F797 HydrophobicContact CD2-CB 3.97Å; Y779-F797 AromaticContact CD2-CD1 3.38Å; Y779-F797 HydrophobicContact CD2-CD1 3.38Å; Y779-F797 AromaticContact CD2-CD2 3.89Å; Y779-F797 HydrophobicContact CD2-CD2 3.89Å; Y779-F797 AromaticContact CD2-CE1 3.73Å; Y779-F797 HydrophobicContact CD2-CE1 3.73Å; Y779-F797 HydrophobicContact CD2-CE2 4.18Å; Y779-F797 AromaticContact CD2-CG 3.46Å; Y779-F797 HydrophobicContact CD2-CG 3.46Å; Y779-F797 VanDerWaalsContact CD2-CG 3.46Å; Y779-F797 HydrophobicContact CD2-CZ 4.1Å; Y779-F797 HydrophobicContact CE2-CB 3.79Å; Y779-F797 AromaticContact CE2-CD1 3.87Å; Y779-F797 HydrophobicContact CE2-CD1 3.87Å; Y779-F797 AromaticContact CE2-CG 3.82Å; Y779-F797 HydrophobicContact CE2-CG 3.82Å; Y779-F797 HydrophobicContact CG-CD1 4.14Å; Y779-F797 HydrophobicContact CG-CE1 4.09Å; Y779-F797 HydrophobicContact CG-CZ 4.43Å
780	L	89.9	Confident	86.5	Confident	46 Å²	46	40.2 Å²	40.2	24%	0.241	23%	0.233	C	C	.	.			trans	-95.6	-23.9	-169.5	-63.6	171.5	0	0	0	113.3	K651 G714 L715 K717 L778 W782	K651-L780 WeakPolarHBondContact CE-O 3.33Å; K651-L780 PolarHBondContact NZ-O 2.78Å; K651-L780 VanDerWaalsContact NZ-O 3.12Å; G714-L780 WeakPolarHBondContact O-CD1 3.49Å; L715-L780 WeakPolarHBondContact O-CB 3.49Å; L715-L780 PolarHBondContact O-N 3.01Å; K717-L780 HydrophobicContact CB-CD1 4.3Å; L778-L780 HydrophobicContact CD2-CD2 3.94Å; L778-L780 HydrophobicContact CG-CD2 3.9Å; L780-W782 PolarHBondContact O-N 2.68Å
781	G	76.6	Confident	87	Confident	35 Å²	35	38.6 Å²	38.6	36%	0.361	23%	0.225	S	C	.	.			trans	-80.3	-1.8	-172.4	0	0	0	0	0	117.1	P783	G781-P783 WeakPolarHBondContact O-CD 3.39Å
782	W	86.7	Confident	87.1	Confident	8 Å²	8	38.2 Å²	38.2	3%	0.03	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-86.2	118.5	-178.8	-147.2	-46.4	0	0	0	112	L649 Y779 L780 D786 P788 F794 R860 T863	L649-W782 HydrophobicContact CD1-CZ3 4.45Å; Y779-W782 HydrophobicContact CD1-CB 3.89Å; Y779-W782 HydrophobicContact CD1-CE3 4.17Å; Y779-W782 HydrophobicContact CE1-CB 3.92Å; Y779-W782 HydrophobicContact CE1-CE3 4.14Å; L780-W782 PolarHBondContact O-N 2.68Å; W782-D786 PolarHBondContact NE1-O 3.41Å; W782-P788 HydrophobicContact CD2-CG 3.96Å; W782-P788 HydrophobicContact CE3-CG 4.2Å; W782-P788 HydrophobicContact CG-CG 4.3Å; W782-P788 HydrophobicContact CZ2-CG 4.43Å; W782-F794 HydrophobicContact CH2-CE2 4.21Å; W782-F794 HydrophobicContact CZ3-CD2 4.22Å; W782-F794 AromaticContact CZ3-CE2 3.71Å; W782-F794 HydrophobicContact CZ3-CE2 3.71Å; W782-R860 HydrophobicContact CD2-CB 4.18Å; W782-R860 VanDerWaalsContact CD2-CD 3.43Å; W782-R860 HydrophobicContact CD2-CG 3.75Å; W782-R860 VanDerWaalsContact CE2-CG 3.46Å; W782-R860 HydrophobicContact CE3-CB 4.05Å; W782-R860 HydrophobicContact CE3-CG 4.14Å; W782-R860 HydrophobicContact CG-CG 4.29Å; W782-R860 VanDerWaalsContact CG-NE 3.27Å; W782-R860 HydrophobicContact CH2-CB 3.77Å; W782-R860 HydrophobicContact CH2-CG 4.1Å; W782-R860 HydrophobicContact CZ2-CB 3.88Å; W782-R860 HydrophobicContact CZ2-CG 3.68Å; W782-R860 HydrophobicContact CZ3-CB 3.83Å; W782-R860 HydrophobicContact CZ3-CG 4.29Å; W782-T863 HydrophobicContact CH2-CG2 3.77Å; W782-T863 HydrophobicContact CZ2-CG2 4.22Å
783	P	76.1	Confident	86.9	Confident	53 Å²	53	42.2 Å²	42.2	34%	0.344	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-72.5	156.1	174.6	30.3	-37.2	0	0	0	113.1	G781 D786 V787 R860	G781-P783 WeakPolarHBondContact O-CD 3.39Å; P783-D786 HydrophobicContact CB-CB 4.34Å; P783-D786 HydrophobicContact CG-CB 3.76Å; P783-V787 WeakPolarHBondContact CD-O 3.42Å; P783-V787 WeakPolarHBondContact CG-O 3.24Å; P783-R860 PolarHBondContact O-NH2 3.04Å
784	D	62.8	Low	86.9	Confident	42 Å²	42	39.1 Å²	39.1	23%	0.225	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	138.9	171.4	-157.3	0.7	0	0	0	111	E654 K659 D786	E654-D784 HydrophobicContact CB-CB 4Å; K659-D784 VanDerWaalsContact CE-OD2 3.3Å; K659-D784 WeakPolarHBondContact CE-OD2 3.26Å; K659-D784 IonicContact NZ-OD1 3.28Å; K659-D784 PolarHBondContact NZ-OD1 3.4Å; K659-D784 IonicContact NZ-OD2 3.95Å; K659-D784 PolarHBondContact NZ-OD2 2.86Å; D784-D786 PolarHBondContact O-N 2.94Å
785	F	62.6	Low	86.7	Confident	84 Å²	84	39.2 Å²	39.2	37%	0.368	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	16.2	-176.6	-48.7	-77.1	0	0	0	117.2	L435	L435-F785 HydrophobicContact CD2-CB 3.81Å; L435-F785 HydrophobicContact CD2-CD1 3.55Å; L435-F785 HydrophobicContact CD2-CD2 3.55Å; L435-F785 HydrophobicContact CD2-CE1 3.99Å; L435-F785 HydrophobicContact CD2-CE2 3.98Å; L435-F785 HydrophobicContact CD2-CG 3.32Å; L435-F785 HydrophobicContact CD2-CZ 4.2Å
786	D	79	Confident	86.5	Confident	66 Å²	66	42.6 Å²	42.6	35%	0.353	24%	0.241	S	C	.	.	S	Bend	trans	-138.5	-173.1	176.2	-130.4	-43.8	0	0	0	112.8	W782 P783 D784 K901	W782-D786 PolarHBondContact NE1-O 3.41Å; P783-D786 HydrophobicContact CB-CB 4.34Å; P783-D786 HydrophobicContact CG-CB 3.76Å; D784-D786 PolarHBondContact O-N 2.94Å; D786-K901 WeakPolarHBondContact OD1-CD 3.33Å; D786-K901 IonicContact OD1-NZ 3.9Å; D786-K901 PolarHBondContact OD1-NZ 2.8Å; D786-K901 IonicContact OD2-NZ 2.8Å; D786-K901 PolarHBondContact OD2-NZ 3.48Å
787	V	88.3	Confident	86.4	Confident	24 Å²	24	42.6 Å²	42.6	15%	0.145	24%	0.241	C	C	.	.			trans	-101.5	164.4	171.5	-65.9	0	0	0	0	111	P783 K901 Q902 F905	P783-V787 WeakPolarHBondContact CD-O 3.42Å; P783-V787 WeakPolarHBondContact CG-O 3.24Å; V787-K901 HydrophobicContact CG1-CB 4.25Å; V787-Q902 HydrophobicContact CG1-CG 4.06Å; V787-F905 HydrophobicContact CB-CB 3.97Å; V787-F905 HydrophobicContact CB-CD1 4.47Å; V787-F905 HydrophobicContact CB-CD2 3.87Å; V787-F905 HydrophobicContact CB-CG 3.84Å; V787-F905 HydrophobicContact CG1-CB 3.75Å; V787-F905 HydrophobicContact CG1-CG 4.08Å; V787-F905 HydrophobicContact CG2-CB 4.17Å; V787-F905 HydrophobicContact CG2-CD2 3.94Å; V787-F905 HydrophobicContact CG2-CG 4.24Å
788	P	89.4	Confident	86.2	Confident	6 Å²	6	42.4 Å²	42.4	4%	0.039	24%	0.24	C	C	.	.			trans	-54.6	143.8	170	-23.1	35.3	0	0	0	110.8	Y779 W782 D790 F794 F905	Y779-P788 HydrophobicContact CE1-CG 4.35Å; W782-P788 HydrophobicContact CD2-CG 3.96Å; W782-P788 HydrophobicContact CE3-CG 4.2Å; W782-P788 HydrophobicContact CG-CG 4.3Å; W782-P788 HydrophobicContact CZ2-CG 4.43Å; P788-D790 VanDerWaalsContact C-N 3.32Å; P788-F794 HydrophobicContact CB-CB 4.45Å; P788-F794 HydrophobicContact CG-CB 4.37Å; P788-F794 HydrophobicContact CG-CD2 4.3Å; P788-F794 HydrophobicContact CG-CG 4.49Å; P788-F905 HydrophobicContact CB-CE2 4.03Å; P788-F905 HydrophobicContact CB-CZ 3.79Å; P788-F905 HydrophobicContact CG-CE1 4.07Å; P788-F905 HydrophobicContact CG-CE2 4.23Å; P788-F905 HydrophobicContact CG-CZ 3.65Å; P788-F905 WeakPolarHBondContact O-CE2 3.5Å
789	A	81.7	Confident	86.1	Confident	116 Å²	116	43.7 Å²	43.7	96%	0.959	25%	0.247	S	C	*	.	S	Bend	trans	-74.6	-26	-177.9	0	0	0	0	0	112.7
790	D	83.4	Confident	86.1	Confident	62 Å²	62	46.3 Å²	46.3	33%	0.332	26%	0.263	S	S	.	.			trans	-119.3	135.2	172.2	177.6	26	0	0	0	109.6	P788 E792 E793	P788-D790 VanDerWaalsContact C-N 3.32Å; D790-E792 VanDerWaalsContact CG-N 3.34Å; D790-E792 PolarHBondContact OD1-N 3.29Å; D790-E792 WeakPolarHBondContact OD2-CB 3.29Å; D790-E793 HydrophobicContact CB-CB 4.5Å; D790-E793 WeakPolarHBondContact OD2-CG 3.22Å; D790-E793 PolarHBondContact OD2-N 3.37Å
791	S	90.5	Very high	86.4	Confident	21 Å²	21	44.1 Å²	44.1	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-81	-27.2	172.3	50.4	0	0	0	0	112.6	F794 L795	S791-F794 WeakPolarHBondContact O-CB 3.06Å; S791-F794 PolarHBondContact O-N 2.85Å; S791-L795 WeakPolarHBondContact O-CB 3.26Å; S791-L795 WeakPolarHBondContact O-CD1 3.41Å; S791-L795 VanDerWaalsContact O-CG 3.22Å; S791-L795 WeakPolarHBondContact O-CG 3.39Å; S791-L795 PolarHBondContact O-N 2.8Å
792	E	90.3	Very high	87.2	Confident	84 Å²	84	44.3 Å²	44.3	39%	0.393	24%	0.243	S	C	.	.	H	α-helix	trans	-71.9	-45.1	-175.2	-55	-162.4	171.5	0	0	112.1	D790 F794 L795 K796 S912 K916	D790-E792 VanDerWaalsContact CG-N 3.34Å; D790-E792 PolarHBondContact OD1-N 3.29Å; D790-E792 WeakPolarHBondContact OD2-CB 3.29Å; E792-F794 VanDerWaalsContact C-N 3.3Å; E792-F794 PolarHBondContact O-N 3.48Å; E792-L795 PolarHBondContact O-N 2.86Å; E792-K796 VanDerWaalsContact O-CB 3.26Å; E792-K796 WeakPolarHBondContact O-CB 3.28Å; E792-K796 PolarHBondContact O-N 2.79Å; E792-S912 WeakPolarHBondContact CG-OG 3.34Å; E792-S912 PolarHBondContact OE1-OG 3.41Å; E792-K916 WeakPolarHBondContact OE1-CE 3.39Å; E792-K916 IonicContact OE1-NZ 3.22Å; E792-K916 PolarHBondContact OE1-NZ 3.01Å; E792-K916 IonicContact OE2-NZ 3.23Å; E792-K916 PolarHBondContact OE2-NZ 3.44Å
793	E	90.7	Very high	87.6	Confident	94 Å²	94	47.4 Å²	47.4	44%	0.439	26%	0.257	S	S	.	.	H	α-helix	trans	-53.8	-46.3	167.1	-81.2	-168.9	161.4	0	0	112	L715 D790 K796 F797	L715-E793 HydrophobicContact CD1-CB 3.81Å; L715-E793 HydrophobicContact CD1-CG 4.32Å; L715-E793 HydrophobicContact CD2-CB 4.01Å; L715-E793 HydrophobicContact CD2-CG 4.39Å; L715-E793 VanDerWaalsContact CD2-O 3.29Å; L715-E793 WeakPolarHBondContact CD2-O 3.35Å; D790-E793 HydrophobicContact CB-CB 4.5Å; D790-E793 WeakPolarHBondContact OD2-CG 3.22Å; D790-E793 PolarHBondContact OD2-N 3.37Å; E793-K796 PolarHBondContact O-N 2.92Å; E793-F797 PolarHBondContact O-N 2.82Å
794	F	93.7	Very high	88.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-44.3	178.6	170.1	-99.9	0	0	0	112.9	W782 P788 S791 E792 F797 L798 F864 T867 F905	W782-F794 HydrophobicContact CH2-CE2 4.21Å; W782-F794 HydrophobicContact CZ3-CD2 4.22Å; W782-F794 AromaticContact CZ3-CE2 3.71Å; W782-F794 HydrophobicContact CZ3-CE2 3.71Å; P788-F794 HydrophobicContact CB-CB 4.45Å; P788-F794 HydrophobicContact CG-CB 4.37Å; P788-F794 HydrophobicContact CG-CD2 4.3Å; P788-F794 HydrophobicContact CG-CG 4.49Å; S791-F794 WeakPolarHBondContact O-CB 3.06Å; S791-F794 PolarHBondContact O-N 2.85Å; E792-F794 VanDerWaalsContact C-N 3.3Å; E792-F794 PolarHBondContact O-N 3.48Å; F794-F797 PolarHBondContact O-N 2.88Å; F794-L798 HydrophobicContact CE1-CD1 4.15Å; F794-L798 HydrophobicContact CZ-CD1 4.17Å; F794-L798 WeakPolarHBondContact O-CB 3.46Å; F794-L798 PolarHBondContact O-N 3.43Å; F794-F864 HydrophobicContact CE2-CD2 4.07Å; F794-F864 HydrophobicContact CZ-CD2 4.2Å; F794-T867 HydrophobicContact CE1-CG2 4.17Å; F794-F905 HydrophobicContact CB-CE1 4.39Å; F794-F905 HydrophobicContact CB-CZ 3.88Å; F794-F905 AromaticContact CD1-CE1 3.54Å; F794-F905 HydrophobicContact CD1-CE1 3.54Å; F794-F905 AromaticContact CD1-CZ 3.79Å; F794-F905 HydrophobicContact CD1-CZ 3.79Å; F794-F905 HydrophobicContact CD2-CE1 4.33Å; F794-F905 AromaticContact CE1-CE1 3.82Å; F794-F905 HydrophobicContact CE1-CE1 3.82Å; F794-F905 AromaticContact CG-CE1 3.81Å; F794-F905 HydrophobicContact CG-CE1 3.81Å; F794-F905 AromaticContact CG-CZ 3.81Å; F794-F905 HydrophobicContact CG-CZ 3.81Å; F794-F905 HydrophobicContact CZ-CE1 4.32Å
795	L	94	Very high	90	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-44.3	174.7	-73.3	159.2	0	0	0	111.7	S791 E792 F797 L798 L799 T867 L871 A909 Q913	S791-L795 WeakPolarHBondContact O-CB 3.26Å; S791-L795 WeakPolarHBondContact O-CD1 3.41Å; S791-L795 VanDerWaalsContact O-CG 3.22Å; S791-L795 WeakPolarHBondContact O-CG 3.39Å; S791-L795 PolarHBondContact O-N 2.8Å; E792-L795 PolarHBondContact O-N 2.86Å; L795-F797 VanDerWaalsContact C-N 3.29Å; L795-F797 PolarHBondContact O-N 2.94Å; L795-L798 PolarHBondContact O-N 2.94Å; L795-L799 WeakPolarHBondContact O-CB 3.16Å; L795-L799 WeakPolarHBondContact O-CG 3.47Å; L795-L799 PolarHBondContact O-N 3.49Å; L795-T867 HydrophobicContact CD2-CG2 4.21Å; L795-L871 HydrophobicContact CD2-CD2 4.46Å; L795-A909 HydrophobicContact CD1-CB 4.31Å; L795-A909 WeakPolarHBondContact CD1-O 3.34Å; L795-A909 HydrophobicContact CD2-CB 4.28Å; L795-A909 HydrophobicContact CG-CB 4.25Å; L795-Q913 HydrophobicContact CD1-CB 3.94Å; L795-Q913 HydrophobicContact CD2-CB 4.17Å
796	K	92.7	Very high	91.4	Very high	125 Å²	125	45.1 Å²	45.1	54%	0.543	24%	0.244	S	C	.	.	H	α-helix	trans	-58.3	-41.9	176.6	-177.6	175.5	-177.6	173.4	0	111.3	E792 E793 T800	E792-K796 VanDerWaalsContact O-CB 3.26Å; E792-K796 WeakPolarHBondContact O-CB 3.28Å; E792-K796 PolarHBondContact O-N 2.79Å; E793-K796 PolarHBondContact O-N 2.92Å; K796-T800 VanDerWaalsContact O-CB 3.25Å; K796-T800 WeakPolarHBondContact O-CB 3.37Å; K796-T800 PolarHBondContact O-N 3.03Å; K796-T800 PolarHBondContact O-OG1 3.11Å
797	F	95.4	Very high	92	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-51.1	172.7	172.8	-109.5	0	0	0	112.1	I647 L649 L715 Y716 Y777 Y779 E793 F794 L795 L799 T800 V801 F864	I647-F797 HydrophobicContact CG2-CE1 4.06Å; I647-F797 HydrophobicContact CG2-CZ 4.05Å; L649-F797 HydrophobicContact CD2-CE1 4.12Å; L715-F797 HydrophobicContact CD2-CB 4.16Å; Y716-F797 AromaticContact CD1-CD2 3.47Å; Y716-F797 HydrophobicContact CD1-CD2 3.47Å; Y716-F797 VanDerWaalsContact CD1-CD2 3.47Å; Y716-F797 HydrophobicContact CD1-CE2 4.08Å; Y716-F797 HydrophobicContact CD1-CG 4.46Å; Y716-F797 HydrophobicContact CD2-CD2 4.25Å; Y716-F797 HydrophobicContact CD2-CE2 4.07Å; Y716-F797 HydrophobicContact CE1-CD2 4.01Å; Y716-F797 AromaticContact CG-CD2 3.6Å; Y716-F797 HydrophobicContact CG-CD2 3.6Å; Y716-F797 AromaticContact CG-CE2 3.7Å; Y716-F797 HydrophobicContact CG-CE2 3.7Å; Y777-F797 HydrophobicContact CD1-CE2 4.22Å; Y779-F797 HydrophobicContact CD2-CB 3.97Å; Y779-F797 AromaticContact CD2-CD1 3.38Å; Y779-F797 HydrophobicContact CD2-CD1 3.38Å; Y779-F797 AromaticContact CD2-CD2 3.89Å; Y779-F797 HydrophobicContact CD2-CD2 3.89Å; Y779-F797 AromaticContact CD2-CE1 3.73Å; Y779-F797 HydrophobicContact CD2-CE1 3.73Å; Y779-F797 HydrophobicContact CD2-CE2 4.18Å; Y779-F797 AromaticContact CD2-CG 3.46Å; Y779-F797 HydrophobicContact CD2-CG 3.46Å; Y779-F797 VanDerWaalsContact CD2-CG 3.46Å; Y779-F797 HydrophobicContact CD2-CZ 4.1Å; Y779-F797 HydrophobicContact CE2-CB 3.79Å; Y779-F797 AromaticContact CE2-CD1 3.87Å; Y779-F797 HydrophobicContact CE2-CD1 3.87Å; Y779-F797 AromaticContact CE2-CG 3.82Å; Y779-F797 HydrophobicContact CE2-CG 3.82Å; Y779-F797 HydrophobicContact CG-CD1 4.14Å; Y779-F797 HydrophobicContact CG-CE1 4.09Å; Y779-F797 HydrophobicContact CG-CZ 4.43Å; E793-F797 PolarHBondContact O-N 2.82Å; F794-F797 PolarHBondContact O-N 2.88Å; L795-F797 VanDerWaalsContact C-N 3.29Å; L795-F797 PolarHBondContact O-N 2.94Å; F797-L799 PolarHBondContact O-N 2.85Å; F797-T800 PolarHBondContact O-N 2.98Å; F797-V801 HydrophobicContact CD2-CG2 3.83Å; F797-V801 HydrophobicContact CE1-CG2 4.48Å; F797-V801 HydrophobicContact CE2-CG2 3.49Å; F797-V801 VanDerWaalsContact CE2-CG2 3.49Å; F797-V801 HydrophobicContact CG-CG2 4.49Å; F797-V801 HydrophobicContact CZ-CG2 3.86Å; F797-V801 WeakPolarHBondContact O-CG2 3.16Å; F797-V801 PolarHBondContact O-N 3.07Å; F797-F864 HydrophobicContact CD1-CE2 4.11Å; F797-F864 AromaticContact CE1-CE2 3.98Å; F797-F864 HydrophobicContact CE1-CE2 3.98Å
798	L	95.7	Very high	92.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-54.2	-53.4	-179.7	-175.7	159.2	0	0	0	111.2	F794 L795 V801 K802 F864 T867 D868	F794-L798 HydrophobicContact CE1-CD1 4.15Å; F794-L798 HydrophobicContact CZ-CD1 4.17Å; F794-L798 WeakPolarHBondContact O-CB 3.46Å; F794-L798 PolarHBondContact O-N 3.43Å; L795-L798 PolarHBondContact O-N 2.94Å; L798-V801 PolarHBondContact O-N 3.47Å; L798-K802 HydrophobicContact CD2-CG 4.15Å; L798-K802 VanDerWaalsContact O-CB 3.3Å; L798-K802 WeakPolarHBondContact O-CB 3.24Å; L798-K802 VanDerWaalsContact O-CG 3.22Å; L798-K802 WeakPolarHBondContact O-CG 3.32Å; L798-K802 PolarHBondContact O-N 3.23Å; L798-F864 HydrophobicContact CB-CE2 3.86Å; L798-F864 HydrophobicContact CB-CZ 4.24Å; L798-F864 HydrophobicContact CD1-CD2 4.3Å; L798-F864 HydrophobicContact CD1-CE2 4.23Å; L798-F864 HydrophobicContact CD1-CZ 4.5Å; L798-F864 HydrophobicContact CG-CD2 4.4Å; L798-F864 HydrophobicContact CG-CE1 4.47Å; L798-F864 HydrophobicContact CG-CE2 3.83Å; L798-F864 HydrophobicContact CG-CZ 3.86Å; L798-T867 HydrophobicContact CD1-CG2 4.02Å; L798-D868 HydrophobicContact CD1-CB 4.16Å; L798-D868 HydrophobicContact CD2-CB 4.15Å; L798-D868 HydrophobicContact CG-CB 4.42Å
799	L	94.4	Very high	92.1	Very high	47 Å²	47	45.6 Å²	45.6	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-44.8	179.5	-67.2	172.3	0	0	0	112.1	L795 F797 V801 K802 Q803 L871	L795-L799 WeakPolarHBondContact O-CB 3.16Å; L795-L799 WeakPolarHBondContact O-CG 3.47Å; L795-L799 PolarHBondContact O-N 3.49Å; F797-L799 PolarHBondContact O-N 2.85Å; L799-V801 PolarHBondContact O-N 3.3Å; L799-K802 PolarHBondContact O-N 3.08Å; L799-Q803 WeakPolarHBondContact O-CB 3.42Å; L799-Q803 PolarHBondContact O-N 3.29Å; L799-L871 HydrophobicContact CD2-CD2 4.07Å
800	T	94.6	Very high	92.3	Very high	58 Å²	58	46.6 Å²	46.6	36%	0.356	23%	0.231	S	C	.	.	H	α-helix	trans	-60.6	-44.7	179.2	-57.9	0	0	0	0	111.9	K796 F797 S804	K796-T800 VanDerWaalsContact O-CB 3.25Å; K796-T800 WeakPolarHBondContact O-CB 3.37Å; K796-T800 PolarHBondContact O-N 3.03Å; K796-T800 PolarHBondContact O-OG1 3.11Å; F797-T800 PolarHBondContact O-N 2.98Å; T800-S804 WeakPolarHBondContact O-CB 3.31Å; T800-S804 PolarHBondContact O-N 3.04Å
801	V	95.4	Very high	92.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-71.7	-39.5	179	-176.8	0	0	0	0	111.4	T645 I647 Y777 F797 L798 L799 S804 H805	T645-V801 HydrophobicContact CG2-CG1 3.91Å; I647-V801 HydrophobicContact CD1-CB 4.28Å; I647-V801 HydrophobicContact CD1-CG1 3.6Å; I647-V801 HydrophobicContact CG1-CG1 3.88Å; Y777-V801 HydrophobicContact CD1-CG2 3.54Å; Y777-V801 HydrophobicContact CD2-CG1 3.78Å; Y777-V801 HydrophobicContact CD2-CG2 4.17Å; Y777-V801 HydrophobicContact CE1-CG2 3.75Å; Y777-V801 HydrophobicContact CE2-CG1 3.91Å; Y777-V801 HydrophobicContact CE2-CG2 4.35Å; Y777-V801 HydrophobicContact CG-CG1 4.15Å; Y777-V801 HydrophobicContact CG-CG2 3.75Å; F797-V801 HydrophobicContact CD2-CG2 3.83Å; F797-V801 HydrophobicContact CE1-CG2 4.48Å; F797-V801 HydrophobicContact CE2-CG2 3.49Å; F797-V801 VanDerWaalsContact CE2-CG2 3.49Å; F797-V801 HydrophobicContact CG-CG2 4.49Å; F797-V801 HydrophobicContact CZ-CG2 3.86Å; F797-V801 WeakPolarHBondContact O-CG2 3.16Å; F797-V801 PolarHBondContact O-N 3.07Å; L798-V801 PolarHBondContact O-N 3.47Å; L799-V801 PolarHBondContact O-N 3.3Å; V801-S804 PolarHBondContact O-N 3.49Å; V801-H805 VanDerWaalsContact O-CB 3.24Å; V801-H805 WeakPolarHBondContact O-CB 3.4Å; V801-H805 PolarHBondContact O-N 3.14Å
802	K	94.4	Very high	91.7	Very high	38 Å²	38	47.8 Å²	47.8	17%	0.165	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-46.4	175.8	-77.1	-74.1	-64.8	-158.7	0	111.9	Y620 L798 L799 H805 K806 L850 D868	Y620-K802 PolarHBondContact OH-NZ 3.35Å; Y620-K802 VanDerWaalsContact OH-NZ 3.07Å; L798-K802 HydrophobicContact CD2-CG 4.15Å; L798-K802 VanDerWaalsContact O-CB 3.3Å; L798-K802 WeakPolarHBondContact O-CB 3.24Å; L798-K802 VanDerWaalsContact O-CG 3.22Å; L798-K802 WeakPolarHBondContact O-CG 3.32Å; L798-K802 PolarHBondContact O-N 3.23Å; L799-K802 PolarHBondContact O-N 3.08Å; K802-H805 PolarHBondContact O-N 3.41Å; K802-K806 WeakPolarHBondContact O-CB 3.16Å; K802-K806 PolarHBondContact O-N 2.9Å; K802-L850 HydrophobicContact CD-CD2 4.08Å; K802-D868 VanDerWaalsContact CD-OD2 3.28Å; K802-D868 WeakPolarHBondContact CD-OD2 3.47Å; K802-D868 WeakPolarHBondContact CE-OD1 3.27Å; K802-D868 WeakPolarHBondContact CE-OD2 3.4Å; K802-D868 IonicContact NZ-OD1 3.4Å; K802-D868 PolarHBondContact NZ-OD1 3.23Å; K802-D868 IonicContact NZ-OD2 3.13Å; K802-D868 PolarHBondContact NZ-OD2 3.35Å
803	Q	93.8	Very high	90.9	Very high	73 Å²	73	46.6 Å²	46.6	34%	0.341	23%	0.228	S	C	.	.	H	α-helix	trans	-66.2	-43.6	176.8	-172.9	71.1	-60.3	0	0	111.6	L799 H805 K806 S807 L939	L799-Q803 WeakPolarHBondContact O-CB 3.42Å; L799-Q803 PolarHBondContact O-N 3.29Å; Q803-H805 VanDerWaalsContact C-N 3.33Å; Q803-H805 PolarHBondContact O-N 3.1Å; Q803-K806 PolarHBondContact O-N 3.16Å; Q803-S807 PolarHBondContact O-N 2.81Å; Q803-S807 PolarHBondContact O-OG 3.12Å; Q803-L939 PolarHBondContact NE2-O 2.81Å; Q803-L939 PolarHBondContact OE1-O 3.34Å
804	S	94.3	Very high	89.9	Confident	31 Å²	31	45.1 Å²	45.1	22%	0.217	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-41.4	177	-169	0	0	0	0	112.3	Y777 T800 V801 R808	Y777-S804 WeakPolarHBondContact OH-CB 3.41Å; Y777-S804 PolarHBondContact OH-OG 3.45Å; T800-S804 WeakPolarHBondContact O-CB 3.31Å; T800-S804 PolarHBondContact O-N 3.04Å; V801-S804 PolarHBondContact O-N 3.49Å; S804-R808 WeakPolarHBondContact O-CB 3.4Å; S804-R808 VanDerWaalsContact O-CG 3.25Å; S804-R808 WeakPolarHBondContact O-CG 3.24Å; S804-R808 PolarHBondContact O-N 3.39Å; S804-R808 VanDerWaalsContact O-N 3.09Å
805	H	95.2	Very high	88.3	Confident	19 Å²	19	46.6 Å²	46.6	9%	0.088	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-48.3	174.1	174.2	74.8	0	0	0	111.9	T645 V801 K802 Q803 S807 R808 S809 C848 L850	T645-H805 HydrophobicContact CG2-CB 4.42Å; T645-H805 PolarHBondContact OG1-ND1 3.3Å; V801-H805 VanDerWaalsContact O-CB 3.24Å; V801-H805 WeakPolarHBondContact O-CB 3.4Å; V801-H805 PolarHBondContact O-N 3.14Å; K802-H805 PolarHBondContact O-N 3.41Å; Q803-H805 VanDerWaalsContact C-N 3.33Å; Q803-H805 PolarHBondContact O-N 3.1Å; H805-S807 PolarHBondContact O-N 3.18Å; H805-R808 PolarHBondContact O-N 3.39Å; H805-S809 PolarHBondContact CE1-OG 2.96Å; H805-S809 WeakPolarHBondContact O-CB 3.49Å; H805-S809 PolarHBondContact O-N 2.9Å; H805-S809 PolarHBondContact O-OG 3.47Å; H805-C848 PolarHBondContact CE1-O 3.07Å; H805-C848 PolarHBondContact NE2-O 3.09Å; H805-L850 HydrophobicContact CB-CD1 4.47Å
806	K	92	Very high	86.6	Confident	82 Å²	82	49.7 Å²	49.7	36%	0.357	26%	0.26	S	S	.	.	H	α-helix	trans	-55.4	-47.2	177.6	175.7	174	157.8	-164.9	0	112.1	K802 Q803 K810 L939	K802-K806 WeakPolarHBondContact O-CB 3.16Å; K802-K806 PolarHBondContact O-N 2.9Å; Q803-K806 PolarHBondContact O-N 3.16Å; K806-K810 WeakPolarHBondContact O-CG 3.27Å; K806-K810 PolarHBondContact O-N 2.91Å; K806-L939 PolarHBondContact NZ-O 3.32Å
807	S	91.8	Very high	84.6	Confident	66 Å²	66	49.4 Å²	49.4	46%	0.462	26%	0.264	S	S	.	.	H	α-helix	trans	-66.9	-40.4	176.7	-63.2	0	0	0	0	113.2	Q803 H805 K810 L811	Q803-S807 PolarHBondContact O-N 2.81Å; Q803-S807 PolarHBondContact O-OG 3.12Å; H805-S807 PolarHBondContact O-N 3.18Å; S807-K810 PolarHBondContact O-N 3.24Å; S807-L811 PolarHBondContact O-N 3.13Å; S807-L811 VanDerWaalsContact O-N 3.15Å
808	R	92.4	Very high	82.5	Confident	39 Å²	39	53.5 Å²	53.5	15%	0.147	29%	0.293	C	S	.	.	H	α-helix	trans	-72.4	-37.1	179.2	-70.2	177.4	67.8	-116.1	-5.1	112.8	I644 T645 T773 S804 H805 L811 L812	I644-R808 HydrophobicContact CD1-CB 3.83Å; I644-R808 PolarHBondContact O-NH1 2.9Å; T645-R808 PolarHBondContact OG1-NH1 3.46Å; T773-R808 PolarHBondContact O-NH2 3.23Å; S804-R808 WeakPolarHBondContact O-CB 3.4Å; S804-R808 VanDerWaalsContact O-CG 3.25Å; S804-R808 WeakPolarHBondContact O-CG 3.24Å; S804-R808 PolarHBondContact O-N 3.39Å; S804-R808 VanDerWaalsContact O-N 3.09Å; H805-R808 PolarHBondContact O-N 3.39Å; R808-L811 PolarHBondContact O-N 3.4Å; R808-L812 WeakPolarHBondContact O-CD1 3.4Å; R808-L812 PolarHBondContact O-N 3.34Å
809	S	88.8	Confident	80.4	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.007	33%	0.327	C	S	.	.	H	α-helix	trans	-59.7	-51.3	170.5	-72.5	0	0	0	0	110.1	I644 H805 L811 L812 F813	I644-S809 VanDerWaalsContact CD1-OG 3.29Å; I644-S809 WeakPolarHBondContact CD1-OG 3.3Å; H805-S809 PolarHBondContact CE1-OG 2.96Å; H805-S809 WeakPolarHBondContact O-CB 3.49Å; H805-S809 PolarHBondContact O-N 2.9Å; H805-S809 PolarHBondContact O-OG 3.47Å; S809-L811 VanDerWaalsContact C-N 3.3Å; S809-L811 PolarHBondContact O-N 2.92Å; S809-L812 PolarHBondContact O-N 2.75Å; S809-L812 VanDerWaalsContact O-N 3.16Å; S809-F813 WeakPolarHBondContact O-CD2 3.45Å; S809-F813 PolarHBondContact O-N 3.4Å
810	K	85.2	Confident	78.1	Confident	137 Å²	137	60.5 Å²	60.5	60%	0.596	35%	0.346	S	S	*	.	H	α-helix	trans	-51.1	-47	176.5	-80.8	-176.8	173.5	-168.7	0	112.9	K806 S807 L812 F813 S814	K806-K810 WeakPolarHBondContact O-CG 3.27Å; K806-K810 PolarHBondContact O-N 2.91Å; S807-K810 PolarHBondContact O-N 3.24Å; K810-L812 VanDerWaalsContact C-N 3.3Å; K810-L812 PolarHBondContact O-N 3.21Å; K810-F813 PolarHBondContact O-N 3.2Å; K810-F813 VanDerWaalsContact O-N 3.15Å; K810-S814 PolarHBondContact O-N 3.47Å; K810-S814 PolarHBondContact O-OG 3.22Å
811	L	83.4	Confident	75.5	Confident	82 Å²	82	62.3 Å²	62.3	43%	0.429	36%	0.361	S	S	.	.	H	α-helix	trans	-58.1	-41.6	-178.2	-172.9	64.8	0	0	0	112.5	T766 S807 R808 S809 S814 S815	T766-L811 HydrophobicContact CG2-CD2 3.91Å; T766-L811 HydrophobicContact CG2-CG 4.29Å; S807-L811 PolarHBondContact O-N 3.13Å; S807-L811 VanDerWaalsContact O-N 3.15Å; R808-L811 PolarHBondContact O-N 3.4Å; S809-L811 VanDerWaalsContact C-N 3.3Å; S809-L811 PolarHBondContact O-N 2.92Å; L811-S814 WeakPolarHBondContact CA-OG 3.34Å; L811-S814 PolarHBondContact O-N 3.4Å; L811-S814 PolarHBondContact O-OG 3.23Å; L811-S815 PolarHBondContact O-N 3.47Å; L811-S815 VanDerWaalsContact O-N 3.12Å; L811-S815 PolarHBondContact O-OG 2.76Å
812	L	78.7	Confident	73.1	Confident	25 Å²	25	67.4 Å²	67.4	13%	0.131	40%	0.397	C	S	.	.	H	α-helix	trans	-68.5	-31.5	178.1	-77.5	154.8	0	0	0	113.6	I644 T766 L767 R808 S809 K810 S815 S816	I644-L812 HydrophobicContact CB-CD1 4.45Å; I644-L812 HydrophobicContact CD1-CD1 4.02Å; I644-L812 HydrophobicContact CG2-CD1 3.49Å; I644-L812 VanDerWaalsContact CG2-CD1 3.49Å; T766-L812 HydrophobicContact CG2-CD2 4.3Å; T766-L812 HydrophobicContact CG2-CG 4.45Å; L767-L812 HydrophobicContact CB-CD2 3.99Å; L767-L812 HydrophobicContact CD1-CD2 4.03Å; R808-L812 WeakPolarHBondContact O-CD1 3.4Å; R808-L812 PolarHBondContact O-N 3.34Å; S809-L812 PolarHBondContact O-N 2.75Å; S809-L812 VanDerWaalsContact O-N 3.16Å; K810-L812 VanDerWaalsContact C-N 3.3Å; K810-L812 PolarHBondContact O-N 3.21Å; L812-S815 PolarHBondContact O-OG 3.06Å; L812-S815 VanDerWaalsContact O-OG 3.05Å; L812-S816 PolarHBondContact O-N 3.29Å
813	F	72	Confident	70.5	Confident	59 Å²	59	71 Å²	71	26%	0.259	43%	0.426	S	S	.	.	H	α-helix	trans	-75.6	-38.9	173.4	-67.9	-70.1	0	0	0	111.4	S809 K810 S815 S816 L817 S846 L847	S809-F813 WeakPolarHBondContact O-CD2 3.45Å; S809-F813 PolarHBondContact O-N 3.4Å; K810-F813 PolarHBondContact O-N 3.2Å; K810-F813 VanDerWaalsContact O-N 3.15Å; F813-S815 PolarHBondContact O-N 3.47Å; F813-S816 PolarHBondContact O-N 2.86Å; F813-S816 PolarHBondContact O-OG 3.08Å; F813-L817 PolarHBondContact O-N 3.49Å; F813-S846 WeakPolarHBondContact CZ-O 3.36Å; F813-L847 HydrophobicContact CD2-CD2 4.1Å; F813-L847 HydrophobicContact CE2-CD2 3.83Å
814	S	70.9	Confident	68	Low	63 Å²	63	74 Å²	74	44%	0.441	45%	0.45	S	S	.	.	H	α-helix	trans	-60.4	-41.8	174.8	43	0	0	0	0	112.8	K810 L811 S816 L817 S818	K810-S814 PolarHBondContact O-N 3.47Å; K810-S814 PolarHBondContact O-OG 3.22Å; L811-S814 WeakPolarHBondContact CA-OG 3.34Å; L811-S814 PolarHBondContact O-N 3.4Å; L811-S814 PolarHBondContact O-OG 3.23Å; S814-S816 VanDerWaalsContact C-N 3.28Å; S814-S816 PolarHBondContact O-N 3.16Å; S814-L817 PolarHBondContact O-N 3.27Å; S814-S818 PolarHBondContact O-N 2.96Å; S814-S818 VanDerWaalsContact O-N 3.07Å; S814-S818 PolarHBondContact O-OG 2.77Å; S814-S818 VanDerWaalsContact O-OG 3.13Å
815	S	59.7	Low	65.7	Low	31 Å²	31	77.8 Å²	77.8	22%	0.217	47%	0.473	C	S	.	.	H	α-helix	trans	-64.4	-31.2	177	49.4	0	0	0	0	113.1	T766 L811 L812 F813 S818	T766-S815 PolarHBondContact OG1-OG 3.09Å; T766-S815 VanDerWaalsContact OG1-OG 3.08Å; L811-S815 PolarHBondContact O-N 3.47Å; L811-S815 VanDerWaalsContact O-N 3.12Å; L811-S815 PolarHBondContact O-OG 2.76Å; L812-S815 PolarHBondContact O-OG 3.06Å; L812-S815 VanDerWaalsContact O-OG 3.05Å; F813-S815 PolarHBondContact O-N 3.47Å; S815-S818 PolarHBondContact O-OG 2.72Å
816	S	57.3	Low	63.2	Low	67 Å²	67	82.5 Å²	82.5	47%	0.469	51%	0.505	S	S	.	.	H	α-helix	trans	-76.6	-16.4	175.4	70.2	0	0	0	0	115.2	L812 F813 S814 S819	L812-S816 PolarHBondContact O-N 3.29Å; F813-S816 PolarHBondContact O-N 2.86Å; F813-S816 PolarHBondContact O-OG 3.08Å; S814-S816 VanDerWaalsContact C-N 3.28Å; S814-S816 PolarHBondContact O-N 3.16Å; S816-S819 PolarHBondContact O-OG 2.76Å
817	L	52.2	Low	60.7	Low	120 Å²	120	84.8 Å²	84.8	63%	0.628	53%	0.529	S	S	*	.	H	α-helix	trans	-98.5	-29.3	178.8	-72.8	166	0	0	0	112.6	F813 S814 S819 S820	F813-L817 PolarHBondContact O-N 3.49Å; S814-L817 PolarHBondContact O-N 3.27Å; L817-S819 VanDerWaalsContact C-N 3.26Å; L817-S819 PolarHBondContact O-N 2.8Å; L817-S820 PolarHBondContact O-OG 3.42Å; L817-S820 VanDerWaalsContact O-OG 3.13Å
818	S	51.3	Low	58.2	Low	85 Å²	85	87.5 Å²	87.5	59%	0.594	54%	0.543	S	S	*	.	H	α-helix	trans	-69.2	-19.4	178	46.8	0	0	0	0	114.3	S814 S815 S820	S814-S818 PolarHBondContact O-N 2.96Å; S814-S818 VanDerWaalsContact O-N 3.07Å; S814-S818 PolarHBondContact O-OG 2.77Å; S814-S818 VanDerWaalsContact O-OG 3.13Å; S815-S818 PolarHBondContact O-OG 2.72Å; S818-S820 VanDerWaalsContact C-N 3.29Å; S818-S820 PolarHBondContact O-N 2.92Å
819	S	50.4	Low	55.5	Low	102 Å²	102	91.5 Å²	91.5	71%	0.713	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	2.6	-177.8	54.7	0	0	0	0	114.8	S816 L817	S816-S819 PolarHBondContact O-OG 2.76Å; L817-S819 VanDerWaalsContact C-N 3.26Å; L817-S819 PolarHBondContact O-N 2.8Å
820	S	46.5	Very low	53.1	Low	92 Å²	92	98.6 Å²	98.6	64%	0.643	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	4.3	-173.5	56.8	0	0	0	0	115.6	L817 S818	L817-S820 PolarHBondContact O-OG 3.42Å; L817-S820 VanDerWaalsContact O-OG 3.13Å; S818-S820 VanDerWaalsContact C-N 3.29Å; S818-S820 PolarHBondContact O-N 2.92Å
821	S	39.9	Very low	50.6	Low	97 Å²	97	98.4 Å²	98.4	68%	0.678	63%	0.626	S	S	*	*			trans	-116.2	68.3	-173.2	65.2	0	0	0	0	114.3
822	S	44	Very low	48.5	Very low	107 Å²	107	100.6 Å²	100.6	75%	0.748	65%	0.648	S	S	*	*			trans	-100.7	105.7	172.4	48.8	0	0	0	0	113.1
823	S	39.8	Very low	46.4	Very low	112 Å²	112	105.3 Å²	105.3	78%	0.783	68%	0.683	S	S	*	*			trans	48.8	87.4	151.6	61.7	0	0	0	0	120
824	V	42.8	Very low	44.5	Very low	138 Å²	138	106 Å²	106	84%	0.836	71%	0.706	S	S	*	*			trans	-140.7	127.4	141.9	-174.5	0	0	0	0	108.7
825	P	44.8	Very low	42.7	Very low	110 Å²	110	108.7 Å²	108.7	71%	0.714	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-81.4	148.9	175.4	32.9	-34.1	0	0	0	112.2
826	P	42.5	Very low	41.5	Very low	117 Å²	117	111.8 Å²	111.8	76%	0.76	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-80	139.8	-178.5	31.7	-34.5	0	0	0	112.7
827	P	40.6	Very low	40.2	Very low	131 Å²	131	116.8 Å²	116.8	85%	0.851	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-76	152.4	171.1	32	-34.5	0	0	0	112.1
828	T	38.6	Very low	39.3	Very low	123 Å²	123	119.4 Å²	119.4	76%	0.755	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-91.3	140.8	-172.3	47.2	0	0	0	0	114.5
829	T	35.5	Very low	38.3	Very low	122 Å²	122	125 Å²	125	75%	0.748	79%	0.791	S	S	*	*			trans	51.9	117.2	148.7	56.3	0	0	0	0	119.9
830	T	38	Very low	37.4	Very low	150 Å²	150	126.5 Å²	126.5	92%	0.92	80%	0.796	S	S	*	*				-162.8	164.4	110.9	11.9	0	0	0	0	111.9
831	T	33.8	Very low	36.6	Very low	134 Å²	134	127.5 Å²	127.5	82%	0.822	80%	0.798	S	S	*	*			trans	-95.1	139.4	-169.4	48.9	0	0	0	0	114.2
832	S	39.1	Very low	36.2	Very low	128 Å²	128	129.8 Å²	129.8	90%	0.895	80%	0.802	S	S	*	*			trans	-165.2	159.8	141	37.1	0	0	0	0	111.8
833	S	34.2	Very low	35.4	Very low	124 Å²	124	132.3 Å²	132.3	87%	0.867	80%	0.802	S	S	*	*			trans	-91	146.7	-172.1	46	0	0	0	0	113.2
834	G	33.1	Very low	35.3	Very low	73 Å²	73	132.7 Å²	132.7	75%	0.753	79%	0.79	S	S	*	*			trans	177.9	72.7	175.7	0	0	0	0	0	120.2
835	S	31.8	Very low	35.1	Very low	120 Å²	120	131.3 Å²	131.3	84%	0.839	78%	0.778	S	S	*	*			trans	69.9	156.8	147.4	-150.9	0	0	0	0	122.5
836	S	34.4	Very low	35.5	Very low	95 Å²	95	131 Å²	131	66%	0.664	78%	0.778	S	S	*	*			trans	58.6	99.4	164.4	57.1	0	0	0	0	120.3	H838	S836-H838 PolarHBondContact O-N 2.86Å; S836-H838 VanDerWaalsContact O-N 3.15Å
837	N	30.2	Very low	37.1	Very low	173 Å²	173	129.8 Å²	129.8	93%	0.925	76%	0.764	S	S	*	*			trans	-78.9	83.5	166.7	-81.4	-46.2	0	0	0	112.6	K839	N837-K839 PolarHBondContact O-N 3.46Å
838	H	33.5	Very low	39.5	Very low	174 Å²	174	124.2 Å²	124.2	81%	0.806	73%	0.728	S	S	*	*			trans	-87	98	158.4	-94.4	-77.6	0	0	0	109.8	S836 T840	S836-H838 PolarHBondContact O-N 2.86Å; S836-H838 VanDerWaalsContact O-N 3.15Å; H838-T840 PolarHBondContact O-N 3.17Å; H838-T840 VanDerWaalsContact O-N 3.12Å
839	K	30.7	Very low	42.2	Very low	203 Å²	203	118.8 Å²	118.8	88%	0.883	70%	0.695	S	S	*	*			trans	-68.3	106.8	166.3	-86.3	-172	172.9	-177.6	0	108.9	N837	N837-K839 PolarHBondContact O-N 3.46Å
840	T	31.1	Very low	45.1	Very low	133 Å²	133	113 Å²	113	82%	0.816	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-63.7	141.8	177.7	9	0	0	0	0	111.8	H838	H838-T840 PolarHBondContact O-N 3.17Å; H838-T840 VanDerWaalsContact O-N 3.12Å
841	T	29.4	Very low	48	Very low	114 Å²	114	105.9 Å²	105.9	70%	0.699	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-61.2	138.9	177.7	-48.9	0	0	0	0	111.3
842	L	32.7	Very low	51.1	Low	144 Å²	144	99.5 Å²	99.5	75%	0.754	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-63.7	139.9	-178	-68.1	167.2	0	0	0	112.3	F844	L842-F844 PolarHBondContact O-N 3.45Å
843	Q	27.5	Very low	53.9	Low	160 Å²	160	93.4 Å²	93.4	75%	0.748	53%	0.534	S	S	*	.			trans	-68.2	107.6	170.6	-76.1	172.6	-113.3	0	0	110.6	D845	Q843-D845 PolarHBondContact NE2-OD2 2.98Å; Q843-D845 PolarHBondContact O-N 3.13Å; Q843-D845 VanDerWaalsContact O-N 3.11Å
844	F	36.6	Very low	56.8	Low	121 Å²	121	87.8 Å²	87.8	53%	0.531	50%	0.495	S	S	.	.			trans	-82.7	64.8	165.2	-80.7	-79.6	0	0	0	110.5	Q615 L842 S846	Q615-F844 WeakPolarHBondContact O-CE1 3.13Å; L842-F844 PolarHBondContact O-N 3.45Å; F844-S846 PolarHBondContact O-N 2.82Å
845	D	39.5	Very low	59.7	Low	109 Å²	109	85 Å²	85	58%	0.583	46%	0.464	S	S	*	.			trans	-67	128.1	173.7	-67.6	-35.3	0	0	0	109.6	Q843 L847	Q843-D845 PolarHBondContact NE2-OD2 2.98Å; Q843-D845 PolarHBondContact O-N 3.13Å; Q843-D845 VanDerWaalsContact O-N 3.11Å; D845-L847 PolarHBondContact O-N 2.83Å; D845-L847 VanDerWaalsContact O-N 3.09Å
846	S	53.4	Low	62.5	Low	102 Å²	102	79.8 Å²	79.8	71%	0.713	43%	0.428	S	S	*	.			trans	-76.6	104.1	-154.8	61.5	0	0	0	0	113.5	F813 F844	F813-S846 WeakPolarHBondContact CZ-O 3.36Å; F844-S846 PolarHBondContact O-N 2.82Å
847	L	75.4	Confident	65.4	Low	92 Å²	92	75.2 Å²	75.2	48%	0.482	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-51.2	143.5	169.5	-75.1	164.1	0	0	0	111.9	F813 D845	F813-L847 HydrophobicContact CD2-CD2 4.1Å; F813-L847 HydrophobicContact CE2-CD2 3.83Å; D845-L847 PolarHBondContact O-N 2.83Å; D845-L847 VanDerWaalsContact O-N 3.09Å
848	C	90.9	Very high	68.5	Low	14 Å²	14	67.1 Å²	67.1	10%	0.095	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-61.2	130.2	175.1	-65.1	0	0	0	0	109.8	K642 I644 H805	K642-C848 WeakPolarHBondContact O-CB 3.47Å; I644-C848 HydrophobicContact CD1-CB 4.31Å; I644-C848 HydrophobicContact CG1-CB 4.11Å; I644-C848 HydrophobicContact CG2-CB 4.43Å; H805-C848 PolarHBondContact CE1-O 3.07Å; H805-C848 PolarHBondContact NE2-O 3.09Å
849	P	95.5	Very high	71.3	Confident	9 Å²	9	59 Å²	59	6%	0.058	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-72.2	147.8	-175.8	28	-34.4	0	0	0	112.8	W610 I621 H641 V643	W610-P849 HydrophobicContact CH2-CG 4.1Å; W610-P849 HydrophobicContact CZ3-CB 3.95Å; W610-P849 HydrophobicContact CZ3-CG 3.98Å; I621-P849 HydrophobicContact CD1-CB 4.33Å; I621-P849 HydrophobicContact CD1-CG 3.96Å; I621-P849 HydrophobicContact CG1-CB 4.17Å; I621-P849 HydrophobicContact CG1-CG 4.35Å; H641-P849 HydrophobicContact CB-CG 4.46Å; H641-P849 WeakPolarHBondContact O-CD 3.32Å; H641-P849 WeakPolarHBondContact O-CG 3.46Å; V643-P849 HydrophobicContact CG2-CG 4.19Å
850	L	97.1	Very high	74.4	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	111	171.7	177.3	66.1	0	0	0	109.4	A619 Y620 I621 T645 I647 K802 H805 V852 F864	A619-L850 PolarHBondContact O-N 2.82Å; Y620-L850 VanDerWaalsContact CA-O 3.31Å; Y620-L850 WeakPolarHBondContact CA-O 3.47Å; Y620-L850 HydrophobicContact CD1-CB 3.94Å; Y620-L850 HydrophobicContact CD1-CD2 4.16Å; Y620-L850 HydrophobicContact CD1-CG 4.34Å; Y620-L850 HydrophobicContact CE1-CB 4.32Å; Y620-L850 HydrophobicContact CE1-CD2 4Å; I621-L850 PolarHBondContact N-O 3.12Å; T645-L850 HydrophobicContact CG2-CD1 3.43Å; T645-L850 VanDerWaalsContact CG2-CD1 3.43Å; I647-L850 HydrophobicContact CD1-CD1 3.99Å; I647-L850 HydrophobicContact CD1-CD2 3.94Å; I647-L850 HydrophobicContact CD1-CG 4.22Å; I647-L850 HydrophobicContact CG1-CD1 4.01Å; K802-L850 HydrophobicContact CD-CD2 4.08Å; H805-L850 HydrophobicContact CB-CD1 4.47Å; L850-V852 HydrophobicContact CD2-CG2 4.32Å; L850-V852 HydrophobicContact CG-CG2 4.01Å; L850-F864 HydrophobicContact CD2-CE1 4.45Å
851	L	98.5	Very high	77.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.9	178.9	-168.9	159.1	0	0	0	109.7	I621 A623 F634 T637 V638 V643 T645 I646 I647 H853	I621-L851 HydrophobicContact CB-CB 4.36Å; I621-L851 HydrophobicContact CB-CD1 4.45Å; I621-L851 HydrophobicContact CB-CG 4.13Å; I621-L851 HydrophobicContact CG2-CD1 4.13Å; I621-L851 HydrophobicContact CG2-CG 4.08Å; I621-L851 WeakPolarHBondContact O-CA 3.43Å; A623-L851 HydrophobicContact CB-CD2 4.41Å; F634-L851 HydrophobicContact CE2-CD1 4.04Å; F634-L851 HydrophobicContact CE2-CD2 3.69Å; F634-L851 HydrophobicContact CZ-CD1 4.23Å; F634-L851 HydrophobicContact CZ-CD2 3.81Å; T637-L851 HydrophobicContact CG2-CD1 4.15Å; V638-L851 HydrophobicContact CG2-CD1 4.1Å; V643-L851 HydrophobicContact CG1-CB 3.44Å; V643-L851 VanDerWaalsContact CG1-CB 3.44Å; V643-L851 HydrophobicContact CG1-CD1 4.28Å; V643-L851 HydrophobicContact CG2-CB 4.33Å; V643-L851 HydrophobicContact CG2-CD1 4.29Å; T645-L851 PolarHBondContact O-N 2.83Å; T645-L851 VanDerWaalsContact O-N 3.17Å; I646-L851 CarbonylContact C-O 3.59Å; I646-L851 WeakPolarHBondContact CA-O 3.22Å; I646-L851 HydrophobicContact CG1-CB 4.46Å; I646-L851 HydrophobicContact CG2-CD2 4.21Å; I647-L851 PolarHBondContact N-O 3.35Å; L851-H853 HydrophobicContact CD2-CB 4.44Å
852	V	98.5	Very high	80.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.3	-179.4	-170.6	0	0	0	0	109.9	I621 L622 A623 I647 L649 L850 T861 F864	I621-V852 PolarHBondContact O-N 3.42Å; L622-V852 WeakPolarHBondContact CA-O 3.25Å; L622-V852 HydrophobicContact CD2-CB 3.95Å; L622-V852 HydrophobicContact CD2-CG2 4.43Å; A623-V852 PolarHBondContact N-O 2.83Å; I647-V852 HydrophobicContact CB-CB 4.47Å; I647-V852 HydrophobicContact CB-CG1 4.14Å; I647-V852 HydrophobicContact CB-CG2 4.27Å; I647-V852 HydrophobicContact CD1-CG2 4.25Å; I647-V852 HydrophobicContact CG2-CG1 4.24Å; L649-V852 HydrophobicContact CD1-CG1 3.84Å; L649-V852 HydrophobicContact CG-CG1 4.39Å; L850-V852 HydrophobicContact CD2-CG2 4.32Å; L850-V852 HydrophobicContact CG-CG2 4.01Å; V852-T861 HydrophobicContact CB-CG2 4.16Å; V852-T861 HydrophobicContact CG1-CG2 3.96Å; V852-T861 WeakPolarHBondContact O-CG2 3.45Å; V852-F864 HydrophobicContact CG1-CD1 4.3Å; V852-F864 HydrophobicContact CG2-CD1 4.41Å
853	H	98.4	Very high	83.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.7	177.8	86.4	90.3	0	0	0	112.8	A623 I647 M648 L649 Y663 L851	A623-H853 HydrophobicContact CB-CB 4.22Å; A623-H853 WeakPolarHBondContact O-CA 3.46Å; A623-H853 VanDerWaalsContact O-CB 3.23Å; A623-H853 WeakPolarHBondContact O-CB 3.39Å; I647-H853 PolarHBondContact O-CD2 2.65Å; I647-H853 PolarHBondContact O-N 3.26Å; M648-H853 WeakPolarHBondContact CB-NE2 3.46Å; M648-H853 VanDerWaalsContact CG-CE1 3.42Å; M648-H853 WeakPolarHBondContact CG-CE1 3.36Å; M648-H853 VanDerWaalsContact CG-NE2 3.33Å; M648-H853 WeakPolarHBondContact CG-NE2 3.39Å; L649-H853 PolarHBondContact N-O 2.99Å; Y663-H853 AromaticContact CE1-CE1 3.78Å; Y663-H853 AromaticContact CE1-NE2 3.45Å; Y663-H853 WeakPolarHBondContact CE1-NE2 3.47Å; Y663-H853 AromaticContact CZ-NE2 3.52Å; Y663-H853 PolarHBondContact OH-CD2 3.09Å; Y663-H853 PolarHBondContact OH-NE2 3.46Å; L851-H853 HydrophobicContact CD2-CB 4.44Å
854	C	94.7	Very high	87.2	Confident	7 Å²	7	24 Å²	24	5%	0.047	13%	0.134	C	C	.	.			trans	-131.7	-135.9	166.8	71.2	0	0	0	0	108	G625 L649 G857 R860 T861	G625-C854 WeakPolarHBondContact CA-O 3.31Å; G625-C854 PolarHBondContact N-O 2.94Å; L649-C854 HydrophobicContact CB-CB 4.1Å; C854-G857 PolarHBondContact SG-N 2.58Å; C854-R860 HydrophobicContact CB-CB 3.97Å; C854-T861 WeakPolarHBondContact CB-OG1 3.2Å; C854-T861 PolarHBondContact N-OG1 2.71Å; C854-T861 PolarHBondContact SG-OG1 3.19Å
855	S	93.6	Very high	90.1	Very high	14 Å²	14	18.2 Å²	18.2	10%	0.098	11%	0.108	C	C	.	.	S	Bend	trans	-73.1	-57.2	168.9	-157.2	0	0	0	0	111.4	R586 Y587 G625 K659	R586-S855 WeakPolarHBondContact CD-O 3.22Å; Y587-S855 WeakPolarHBondContact CE2-OG 3.38Å; Y587-S855 PolarHBondContact OH-OG 2.77Å; G625-S855 PolarHBondContact N-O 3.23Å; K659-S855 VanDerWaalsContact CA-OG 3.3Å; K659-S855 WeakPolarHBondContact CA-OG 3.36Å; K659-S855 WeakPolarHBondContact CB-OG 3.48Å; K659-S855 WeakPolarHBondContact O-CA 3.47Å; K659-S855 PolarHBondContact O-OG 3.24Å
856	A	91.6	Very high	92.9	Very high	10 Å²	10	13 Å²	13	8%	0.083	8%	0.081	C	C	.	.	S	Bend	trans	-101.9	-10.8	-175.7	0	0	0	0	0	114.3	Y587 V590 I858 R893	Y587-A856 HydrophobicContact CD2-CB 3.58Å; Y587-A856 HydrophobicContact CE2-CB 3.79Å; V590-A856 HydrophobicContact CG1-CB 4.43Å; V590-A856 HydrophobicContact CG2-CB 4.17Å; A856-I858 VanDerWaalsContact C-N 3.34Å; A856-I858 HydrophobicContact CB-CG1 3.89Å; A856-R893 PolarHBondContact O-NH2 3.16Å
857	G	95.5	Very high	95	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	72.3	23.5	-174.2	0	0	0	0	0	114.5	A623 C854 R893	A623-G857 WeakPolarHBondContact O-CA 3.25Å; A623-G857 PolarHBondContact O-N 3.2Å; C854-G857 PolarHBondContact SG-N 2.58Å; G857-R893 WeakPolarHBondContact O-CG 3.4Å; G857-R893 PolarHBondContact O-NE 3.07Å
858	I	93.8	Very high	96.1	Very high	2 Å²	2	4 Å²	4	1%	0.01	3%	0.025	C	C	.	.	S	Bend	trans	-127.4	-52.9	-177.7	64.7	164.5	0	0	0	114	M440 V590 A856 G862 R893 A894 A896 V897 Q898	M440-I858 HydrophobicContact SD-CD1 4.49Å; V590-I858 HydrophobicContact CG1-CD1 4.04Å; V590-I858 HydrophobicContact CG1-CG1 4.38Å; V590-I858 HydrophobicContact CG1-CG2 3.75Å; V590-I858 HydrophobicContact CG2-CD1 3.86Å; A856-I858 VanDerWaalsContact C-N 3.34Å; A856-I858 HydrophobicContact CB-CG1 3.89Å; I858-G862 WeakPolarHBondContact O-CA 3.34Å; I858-G862 PolarHBondContact O-N 2.99Å; I858-R893 HydrophobicContact CG2-CG 4.25Å; I858-A894 VanDerWaalsContact CG2-O 3.27Å; I858-A894 WeakPolarHBondContact CG2-O 3.41Å; I858-A896 WeakPolarHBondContact O-CA 3.5Å; I858-V897 PolarHBondContact O-N 3.26Å; I858-V897 VanDerWaalsContact O-N 3.11Å; I858-Q898 HydrophobicContact CD1-CG 4.31Å
859	G	93	Very high	96.3	Very high	3 Å²	3	3.9 Å²	3.9	3%	0.031	2%	0.023	C	C	.	.	H	α-helix	trans	-69.9	-83.1	-173.7	0	0	0	0	0	113.6	T861 G862 T863 Q902	G859-T861 PolarHBondContact O-N 3.46Å; G859-G862 PolarHBondContact O-N 3.25Å; G859-T863 PolarHBondContact O-N 2.94Å; G859-T863 PolarHBondContact O-OG1 3.45Å; G859-Q902 VanDerWaalsContact CA-OE1 3.22Å
860	R	95.7	Very high	96.4	Very high	19 Å²	19	3.4 Å²	3.4	7%	0.072	2%	0.02	C	C	.	.	H	α-helix	trans	-56.6	-37.9	177.2	-55.7	-174.8	175.1	145.7	4.5	112.6	L649 T650 E654 W782 P783 C854 T863 F864	L649-R860 HydrophobicContact CB-CB 4.01Å; L649-R860 HydrophobicContact CD1-CB 4.09Å; L649-R860 WeakPolarHBondContact CD1-O 3.38Å; L649-R860 WeakPolarHBondContact O-CD 3.16Å; L649-R860 PolarHBondContact O-NH1 3Å; T650-R860 PolarHBondContact OG1-NH1 2.65Å; E654-R860 IonicContact OE1-CZ 2.77Å; E654-R860 IonicContact OE1-NH1 3.9Å; E654-R860 PolarHBondContact OE1-NH1 2.95Å; E654-R860 IonicContact OE1-NH2 2.63Å; E654-R860 IonicContact OE2-CZ 3.55Å; E654-R860 IonicContact OE2-NH1 2.81Å; E654-R860 PolarHBondContact OE2-NH1 3.18Å; E654-R860 IonicContact OE2-NH2 3.29Å; E654-R860 PolarHBondContact OE2-NH2 2.92Å; W782-R860 HydrophobicContact CD2-CB 4.18Å; W782-R860 VanDerWaalsContact CD2-CD 3.43Å; W782-R860 HydrophobicContact CD2-CG 3.75Å; W782-R860 VanDerWaalsContact CE2-CG 3.46Å; W782-R860 HydrophobicContact CE3-CB 4.05Å; W782-R860 HydrophobicContact CE3-CG 4.14Å; W782-R860 HydrophobicContact CG-CG 4.29Å; W782-R860 VanDerWaalsContact CG-NE 3.27Å; W782-R860 HydrophobicContact CH2-CB 3.77Å; W782-R860 HydrophobicContact CH2-CG 4.1Å; W782-R860 HydrophobicContact CZ2-CB 3.88Å; W782-R860 HydrophobicContact CZ2-CG 3.68Å; W782-R860 HydrophobicContact CZ3-CB 3.83Å; W782-R860 HydrophobicContact CZ3-CG 4.29Å; P783-R860 PolarHBondContact O-NH2 3.04Å; C854-R860 HydrophobicContact CB-CB 3.97Å; R860-T863 WeakPolarHBondContact O-CB 3.37Å; R860-T863 PolarHBondContact O-N 3.21Å; R860-F864 PolarHBondContact O-N 3.37Å
861	T	97.5	Very high	96.4	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-62	-49.7	176.8	-56.8	0	0	0	0	111.9	L622 V852 C854 G859 T863 F864 V865	L622-T861 HydrophobicContact CB-CG2 4.02Å; L622-T861 HydrophobicContact CD1-CG2 4.04Å; L622-T861 HydrophobicContact CD2-CG2 3.76Å; L622-T861 HydrophobicContact CG-CG2 4.14Å; V852-T861 HydrophobicContact CB-CG2 4.16Å; V852-T861 HydrophobicContact CG1-CG2 3.96Å; V852-T861 WeakPolarHBondContact O-CG2 3.45Å; C854-T861 WeakPolarHBondContact CB-OG1 3.2Å; C854-T861 PolarHBondContact N-OG1 2.71Å; C854-T861 PolarHBondContact SG-OG1 3.19Å; G859-T861 PolarHBondContact O-N 3.46Å; T861-T863 VanDerWaalsContact C-N 3.34Å; T861-T863 PolarHBondContact O-N 3.13Å; T861-F864 PolarHBondContact O-N 2.97Å; T861-V865 WeakPolarHBondContact O-CG2 3.21Å; T861-V865 PolarHBondContact O-N 2.76Å; T861-V865 VanDerWaalsContact O-N 3.11Å
862	G	97	Very high	96.2	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.1	-40.2	175.3	0	0	0	0	0	111.9	I858 G859 F864 V865 T866	I858-G862 WeakPolarHBondContact O-CA 3.34Å; I858-G862 PolarHBondContact O-N 2.99Å; G859-G862 PolarHBondContact O-N 3.25Å; G862-F864 VanDerWaalsContact C-N 3.34Å; G862-F864 PolarHBondContact O-N 3.1Å; G862-V865 PolarHBondContact O-N 2.81Å; G862-T866 WeakPolarHBondContact O-CB 3.31Å; G862-T866 PolarHBondContact O-N 3.17Å; G862-T866 PolarHBondContact O-OG1 3.18Å; G862-T866 VanDerWaalsContact O-OG1 3.07Å
863	T	97.1	Very high	96	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-55.5	-47.1	174.7	-50	0	0	0	0	111.6	W782 G859 R860 T861 T867 Q902 F905 I906	W782-T863 HydrophobicContact CH2-CG2 3.77Å; W782-T863 HydrophobicContact CZ2-CG2 4.22Å; G859-T863 PolarHBondContact O-N 2.94Å; G859-T863 PolarHBondContact O-OG1 3.45Å; R860-T863 WeakPolarHBondContact O-CB 3.37Å; R860-T863 PolarHBondContact O-N 3.21Å; T861-T863 VanDerWaalsContact C-N 3.34Å; T861-T863 PolarHBondContact O-N 3.13Å; T863-T867 PolarHBondContact O-N 3.47Å; T863-T867 VanDerWaalsContact O-N 3.11Å; T863-T867 PolarHBondContact O-OG1 3.47Å; T863-T867 VanDerWaalsContact O-OG1 3.1Å; T863-Q902 WeakPolarHBondContact OG1-CB 3.37Å; T863-F905 HydrophobicContact CG2-CD1 3.95Å; T863-F905 HydrophobicContact CG2-CE1 4.49Å; T863-I906 HydrophobicContact CG2-CD1 4.37Å; T863-I906 HydrophobicContact CG2-CG1 3.83Å
864	F	97.6	Very high	95.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61.8	-49.7	177.5	-174.7	-83.7	0	0	0	112.4	I647 L649 F794 F797 L798 L850 V852 R860 T861 G862 D868	I647-F864 HydrophobicContact CD1-CE1 3.66Å; I647-F864 HydrophobicContact CD1-CE2 4.06Å; I647-F864 HydrophobicContact CD1-CZ 3.37Å; L649-F864 HydrophobicContact CD1-CB 3.84Å; L649-F864 HydrophobicContact CD1-CG 4.36Å; L649-F864 HydrophobicContact CD2-CD2 4.36Å; F794-F864 HydrophobicContact CE2-CD2 4.07Å; F794-F864 HydrophobicContact CZ-CD2 4.2Å; F797-F864 HydrophobicContact CD1-CE2 4.11Å; F797-F864 AromaticContact CE1-CE2 3.98Å; F797-F864 HydrophobicContact CE1-CE2 3.98Å; L798-F864 HydrophobicContact CB-CE2 3.86Å; L798-F864 HydrophobicContact CB-CZ 4.24Å; L798-F864 HydrophobicContact CD1-CD2 4.3Å; L798-F864 HydrophobicContact CD1-CE2 4.23Å; L798-F864 HydrophobicContact CD1-CZ 4.5Å; L798-F864 HydrophobicContact CG-CD2 4.4Å; L798-F864 HydrophobicContact CG-CE1 4.47Å; L798-F864 HydrophobicContact CG-CE2 3.83Å; L798-F864 HydrophobicContact CG-CZ 3.86Å; L850-F864 HydrophobicContact CD2-CE1 4.45Å; V852-F864 HydrophobicContact CG1-CD1 4.3Å; V852-F864 HydrophobicContact CG2-CD1 4.41Å; R860-F864 PolarHBondContact O-N 3.37Å; T861-F864 PolarHBondContact O-N 2.97Å; G862-F864 VanDerWaalsContact C-N 3.34Å; G862-F864 PolarHBondContact O-N 3.1Å; F864-D868 WeakPolarHBondContact O-CB 3.31Å; F864-D868 PolarHBondContact O-N 2.76Å; F864-D868 VanDerWaalsContact O-N 3.1Å
865	V	97.8	Very high	95.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-68.6	-41.4	-176.5	174.8	0	0	0	0	111.9	V611 Y620 L622 T861 G862 D868 I869 L889	V611-V865 HydrophobicContact CG1-CG1 4.3Å; Y620-V865 HydrophobicContact CD2-CG1 3.83Å; Y620-V865 HydrophobicContact CD2-CG2 4.38Å; Y620-V865 HydrophobicContact CE2-CG1 3.82Å; Y620-V865 HydrophobicContact CG-CG2 4.37Å; L622-V865 HydrophobicContact CD1-CG2 4.16Å; L622-V865 HydrophobicContact CD2-CG2 3.73Å; T861-V865 WeakPolarHBondContact O-CG2 3.21Å; T861-V865 PolarHBondContact O-N 2.76Å; T861-V865 VanDerWaalsContact O-N 3.11Å; G862-V865 PolarHBondContact O-N 2.81Å; V865-D868 PolarHBondContact O-N 2.85Å; V865-I869 HydrophobicContact CG1-CD1 3.66Å; V865-I869 HydrophobicContact CG1-CG1 4.37Å; V865-I869 VanDerWaalsContact O-CG1 3.28Å; V865-I869 WeakPolarHBondContact O-CG1 3.23Å; V865-I869 PolarHBondContact O-N 2.79Å; V865-L889 HydrophobicContact CB-CD2 4.31Å; V865-L889 HydrophobicContact CG1-CD1 3.94Å; V865-L889 HydrophobicContact CG1-CD2 4.18Å
866	T	98.1	Very high	95.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.1	-46.6	176	-60.2	0	0	0	0	111.5	G862 D868 I869 C870 V882 V885 I886 L889 I906	G862-T866 WeakPolarHBondContact O-CB 3.31Å; G862-T866 PolarHBondContact O-N 3.17Å; G862-T866 PolarHBondContact O-OG1 3.18Å; G862-T866 VanDerWaalsContact O-OG1 3.07Å; T866-D868 VanDerWaalsContact C-N 3.29Å; T866-D868 PolarHBondContact O-N 3.09Å; T866-I869 PolarHBondContact O-N 2.78Å; T866-C870 WeakPolarHBondContact O-CB 3.4Å; T866-C870 PolarHBondContact O-N 3.23Å; T866-C870 PolarHBondContact O-SG 2.63Å; T866-C870 VanDerWaalsContact O-SG 3.33Å; T866-V882 HydrophobicContact CG2-CG1 4.1Å; T866-V885 HydrophobicContact CG2-CG1 3.92Å; T866-I886 HydrophobicContact CG2-CD1 4.09Å; T866-I886 HydrophobicContact CG2-CG1 3.64Å; T866-L889 VanDerWaalsContact OG1-CD2 3.31Å; T866-L889 WeakPolarHBondContact OG1-CD2 3.43Å; T866-I906 HydrophobicContact CG2-CD1 3.97Å; T866-I906 HydrophobicContact CG2-CG2 3.94Å
867	T	98.1	Very high	95.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.1	-41.7	177.6	-60.6	0	0	0	0	111.4	F794 L795 L798 T863 L871 A909 L910	F794-T867 HydrophobicContact CE1-CG2 4.17Å; L795-T867 HydrophobicContact CD2-CG2 4.21Å; L798-T867 HydrophobicContact CD1-CG2 4.02Å; T863-T867 PolarHBondContact O-N 3.47Å; T863-T867 VanDerWaalsContact O-N 3.11Å; T863-T867 PolarHBondContact O-OG1 3.47Å; T863-T867 VanDerWaalsContact O-OG1 3.1Å; T867-L871 WeakPolarHBondContact O-CB 3.37Å; T867-L871 PolarHBondContact O-N 2.79Å; T867-A909 HydrophobicContact CG2-CB 4.34Å; T867-L910 HydrophobicContact CG2-CD2 4.36Å; T867-L910 HydrophobicContact CG2-CG 4.5Å
868	D	97.2	Very high	95.7	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.027	9%	0.086	C	C	.	.	H	α-helix	trans	-64.5	-45.3	178.1	-178.4	33.6	0	0	0	112.9	Y620 L798 K802 F864 V865 T866 Q872	Y620-D868 PolarHBondContact OH-OD2 2.92Å; L798-D868 HydrophobicContact CD1-CB 4.16Å; L798-D868 HydrophobicContact CD2-CB 4.15Å; L798-D868 HydrophobicContact CG-CB 4.42Å; K802-D868 VanDerWaalsContact CD-OD2 3.28Å; K802-D868 WeakPolarHBondContact CD-OD2 3.47Å; K802-D868 WeakPolarHBondContact CE-OD1 3.27Å; K802-D868 WeakPolarHBondContact CE-OD2 3.4Å; K802-D868 IonicContact NZ-OD1 3.4Å; K802-D868 PolarHBondContact NZ-OD1 3.23Å; K802-D868 IonicContact NZ-OD2 3.13Å; K802-D868 PolarHBondContact NZ-OD2 3.35Å; F864-D868 WeakPolarHBondContact O-CB 3.31Å; F864-D868 PolarHBondContact O-N 2.76Å; F864-D868 VanDerWaalsContact O-N 3.1Å; V865-D868 PolarHBondContact O-N 2.85Å; T866-D868 VanDerWaalsContact C-N 3.29Å; T866-D868 PolarHBondContact O-N 3.09Å; D868-Q872 VanDerWaalsContact CG-NE2 3.28Å; D868-Q872 WeakPolarHBondContact O-CB 3.42Å; D868-Q872 WeakPolarHBondContact O-CG 3.23Å; D868-Q872 PolarHBondContact O-N 2.91Å; D868-Q872 PolarHBondContact O-NE2 3.16Å; D868-Q872 PolarHBondContact OD1-NE2 2.86Å; D868-Q872 PolarHBondContact OD2-NE2 3.47Å
869	I	96.6	Very high	95.8	Very high	11 Å²	11	19.6 Å²	19.6	6%	0.056	10%	0.103	C	C	.	.	H	α-helix	trans	-66.3	-48.6	177.2	-65.7	169.5	0	0	0	111	Y620 V865 T866 L871 Q872 Q873 V885	Y620-I869 HydrophobicContact CE2-CD1 4.4Å; V865-I869 HydrophobicContact CG1-CD1 3.66Å; V865-I869 HydrophobicContact CG1-CG1 4.37Å; V865-I869 VanDerWaalsContact O-CG1 3.28Å; V865-I869 WeakPolarHBondContact O-CG1 3.23Å; V865-I869 PolarHBondContact O-N 2.79Å; T866-I869 PolarHBondContact O-N 2.78Å; I869-L871 VanDerWaalsContact C-N 3.32Å; I869-L871 PolarHBondContact O-N 3.46Å; I869-Q872 PolarHBondContact O-N 3.19Å; I869-Q873 WeakPolarHBondContact O-CG 3.49Å; I869-Q873 PolarHBondContact O-N 2.57Å; I869-V885 HydrophobicContact CB-CG1 3.93Å; I869-V885 HydrophobicContact CD1-CG1 4.23Å; I869-V885 HydrophobicContact CG2-CB 4.47Å; I869-V885 HydrophobicContact CG2-CG1 3.76Å; I869-V885 HydrophobicContact CG2-CG2 3.75Å
870	C	97.6	Very high	96	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.5	-31.9	-178.8	-66.4	0	0	0	0	112.6	T866 A874 L880 V882 L910	T866-C870 WeakPolarHBondContact O-CB 3.4Å; T866-C870 PolarHBondContact O-N 3.23Å; T866-C870 PolarHBondContact O-SG 2.63Å; T866-C870 VanDerWaalsContact O-SG 3.33Å; C870-A874 WeakPolarHBondContact O-CB 3.38Å; C870-A874 PolarHBondContact O-N 2.88Å; C870-L880 HydrophobicContact CB-CD1 4.4Å; C870-V882 HydrophobicContact CB-CG2 4.3Å; C870-L910 HydrophobicContact CB-CD1 3.69Å; C870-L910 HydrophobicContact CB-CD2 4Å
871	L	96.2	Very high	96	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-67.4	-45.1	172.3	-179.1	58.2	0	0	0	110.5	L795 L799 T867 I869 Q873 A874 L875 L910 Q913 L914	L795-L871 HydrophobicContact CD2-CD2 4.46Å; L799-L871 HydrophobicContact CD2-CD2 4.07Å; T867-L871 WeakPolarHBondContact O-CB 3.37Å; T867-L871 PolarHBondContact O-N 2.79Å; I869-L871 VanDerWaalsContact C-N 3.32Å; I869-L871 PolarHBondContact O-N 3.46Å; L871-Q873 PolarHBondContact O-N 3.24Å; L871-A874 PolarHBondContact O-N 3.04Å; L871-L875 HydrophobicContact CD1-CD1 4.07Å; L871-L875 HydrophobicContact CD1-CG 4.07Å; L871-L875 HydrophobicContact CG-CD1 3.88Å; L871-L875 HydrophobicContact CG-CG 4.33Å; L871-L875 WeakPolarHBondContact O-CB 3.37Å; L871-L875 WeakPolarHBondContact O-CG 3.49Å; L871-L875 PolarHBondContact O-N 3.41Å; L871-L910 HydrophobicContact CB-CD2 3.87Å; L871-Q913 HydrophobicContact CD1-CB 4.36Å; L871-Q913 HydrophobicContact CD1-CG 3.77Å; L871-Q913 HydrophobicContact CD2-CG 4.28Å; L871-L914 HydrophobicContact CD1-CD2 4.12Å
872	Q	94.1	Very high	96	Very high	42 Å²	42	18.7 Å²	18.7	20%	0.196	10%	0.099	C	C	.	.	H	α-helix	trans	-64.3	-37.5	176.1	-73	174.3	70.7	0	0	112.8	Y614 D868 I869 N876	Y614-Q872 HydrophobicContact CD1-CB 3.65Å; Y614-Q872 HydrophobicContact CD2-CB 4.4Å; Y614-Q872 HydrophobicContact CE1-CB 4.44Å; Y614-Q872 HydrophobicContact CG-CB 3.62Å; D868-Q872 VanDerWaalsContact CG-NE2 3.28Å; D868-Q872 WeakPolarHBondContact O-CB 3.42Å; D868-Q872 WeakPolarHBondContact O-CG 3.23Å; D868-Q872 PolarHBondContact O-N 2.91Å; D868-Q872 PolarHBondContact O-NE2 3.16Å; D868-Q872 PolarHBondContact OD1-NE2 2.86Å; D868-Q872 PolarHBondContact OD2-NE2 3.47Å; I869-Q872 PolarHBondContact O-N 3.19Å; Q872-N876 WeakPolarHBondContact O-CB 3.37Å; Q872-N876 PolarHBondContact O-N 3.42Å; Q872-N876 PolarHBondContact O-ND2 3.07Å
873	Q	94.9	Very high	95.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.2	-52.9	169.7	-73.4	179.2	-38	0	0	111	T518 Y614 I869 L871 L875 N876 E877 Y879 L880	T518-Q873 HydrophobicContact CG2-CB 3.95Å; T518-Q873 VanDerWaalsContact CG2-CD 3.46Å; T518-Q873 HydrophobicContact CG2-CG 3.9Å; Y614-Q873 HydrophobicContact CD2-CB 4.4Å; Y614-Q873 HydrophobicContact CD2-CG 3.54Å; Y614-Q873 HydrophobicContact CE2-CB 4.36Å; Y614-Q873 HydrophobicContact CE2-CG 3.75Å; I869-Q873 WeakPolarHBondContact O-CG 3.49Å; I869-Q873 PolarHBondContact O-N 2.57Å; L871-Q873 PolarHBondContact O-N 3.24Å; Q873-L875 VanDerWaalsContact C-N 3.31Å; Q873-L875 PolarHBondContact O-N 2.72Å; Q873-N876 PolarHBondContact O-N 3.14Å; Q873-E877 WeakPolarHBondContact O-CB 3.28Å; Q873-E877 PolarHBondContact O-N 3.04Å; Q873-Y879 CarbonylContact C-O 3.57Å; Q873-Y879 WeakPolarHBondContact CB-O 3.47Å; Q873-L880 HydrophobicContact CB-CB 4.34Å
874	A	95.4	Very high	95.7	Very high	6 Å²	6	19.8 Å²	19.8	5%	0.05	11%	0.105	C	C	.	.	H	α-helix	trans	-59.7	-38.7	-178.7	0	0	0	0	0	113.3	V528 C870 L871 G878 Y879 L880 L914	V528-A874 HydrophobicContact CG2-CB 3.84Å; C870-A874 WeakPolarHBondContact O-CB 3.38Å; C870-A874 PolarHBondContact O-N 2.88Å; L871-A874 PolarHBondContact O-N 3.04Å; A874-G878 WeakPolarHBondContact O-CA 3.48Å; A874-G878 PolarHBondContact O-N 3Å; A874-Y879 WeakPolarHBondContact CA-O 3.43Å; A874-Y879 PolarHBondContact N-O 3.18Å; A874-L880 HydrophobicContact CB-CB 4.29Å; A874-L880 HydrophobicContact CB-CD1 4.3Å; A874-L880 HydrophobicContact CB-CD2 4.12Å; A874-L880 HydrophobicContact CB-CG 4.48Å; A874-L914 HydrophobicContact CB-CD1 3.74Å; A874-L914 HydrophobicContact CB-CD2 3.67Å; A874-L914 HydrophobicContact CB-CG 4.36Å
875	L	92.9	Very high	95.6	Very high	58 Å²	58	19.9 Å²	19.9	30%	0.304	11%	0.106	S	C	.	.	H	α-helix	trans	-71.4	-42.2	179.6	-70.8	171.6	0	0	0	113.3	L871 Q873 L939	L871-L875 HydrophobicContact CD1-CD1 4.07Å; L871-L875 HydrophobicContact CD1-CG 4.07Å; L871-L875 HydrophobicContact CG-CD1 3.88Å; L871-L875 HydrophobicContact CG-CG 4.33Å; L871-L875 WeakPolarHBondContact O-CB 3.37Å; L871-L875 WeakPolarHBondContact O-CG 3.49Å; L871-L875 PolarHBondContact O-N 3.41Å; Q873-L875 VanDerWaalsContact C-N 3.31Å; Q873-L875 PolarHBondContact O-N 2.72Å; L875-L939 HydrophobicContact CD1-CD2 4.07Å
876	N	92.4	Very high	95.5	Very high	88 Å²	88	19.9 Å²	19.9	47%	0.471	11%	0.106	S	C	.	.	H	α-helix	trans	-96.5	-29.2	-171	-65.4	-78.1	0	0	0	113.6	Y614 Q872 Q873	Y614-N876 HydrophobicContact CE1-CB 3.97Å; Y614-N876 WeakPolarHBondContact OH-CB 3.3Å; Q872-N876 WeakPolarHBondContact O-CB 3.37Å; Q872-N876 PolarHBondContact O-N 3.42Å; Q872-N876 PolarHBondContact O-ND2 3.07Å; Q873-N876 PolarHBondContact O-N 3.14Å
877	E	92.9	Very high	95.1	Very high	49 Å²	49	21.8 Å²	21.8	23%	0.229	12%	0.116	C	C	.	.	H	α-helix	trans	-105.6	-22.8	-179.1	-54.9	-173.8	-161.1	0	0	113.1	V517 T518 Y614 Q873 Y879	V517-E877 WeakPolarHBondContact CA-OE1 3.3Å; V517-E877 VanDerWaalsContact CB-OE1 3.24Å; V517-E877 WeakPolarHBondContact CB-OE1 3.47Å; T518-E877 VanDerWaalsContact CB-OE2 3.27Å; T518-E877 WeakPolarHBondContact CB-OE2 3.49Å; T518-E877 WeakPolarHBondContact CG2-OE2 3.41Å; T518-E877 PolarHBondContact N-OE1 3.02Å; T518-E877 PolarHBondContact N-OE2 2.59Å; T518-E877 PolarHBondContact OG1-OE2 3.46Å; Y614-E877 HydrophobicContact CE2-CG 4.37Å; Y614-E877 WeakPolarHBondContact CE2-OE1 3.3Å; Y614-E877 WeakPolarHBondContact OH-CG 3.44Å; Q873-E877 WeakPolarHBondContact O-CB 3.28Å; Q873-E877 PolarHBondContact O-N 3.04Å; E877-Y879 VanDerWaalsContact O-CD2 3.27Å; E877-Y879 WeakPolarHBondContact O-CD2 3.39Å; E877-Y879 PolarHBondContact O-N 3.45Å
878	G	94.1	Very high	94.8	Very high	32 Å²	32	24.8 Å²	24.8	33%	0.33	13%	0.127	S	C	.	.	S	Bend	trans	77.6	5.5	-168.9	0	0	0	0	0	114.4	S527 V528 A874	S527-G878 WeakPolarHBondContact CA-O 3.49Å; V528-G878 PolarHBondContact N-O 3.12Å; V528-G878 VanDerWaalsContact N-O 3.09Å; A874-G878 WeakPolarHBondContact O-CA 3.48Å; A874-G878 PolarHBondContact O-N 3Å
879	Y	95.7	Very high	94.6	Very high	94 Å²	94	24.8 Å²	24.8	37%	0.369	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.1	179.4	-62.5	-94.3	0	0	0	110.7	R525 L526 S527 Q873 A874 E877	R525-Y879 VanDerWaalsContact NH1-CE1 3.32Å; L526-Y879 CarbonylContact O-C 3.51Å; L526-Y879 VanDerWaalsContact O-CA 3.24Å; L526-Y879 WeakPolarHBondContact O-CA 3.38Å; S527-Y879 VanDerWaalsContact CA-CD1 3.49Å; Q873-Y879 CarbonylContact C-O 3.57Å; Q873-Y879 WeakPolarHBondContact CB-O 3.47Å; A874-Y879 WeakPolarHBondContact CA-O 3.43Å; A874-Y879 PolarHBondContact N-O 3.18Å; E877-Y879 VanDerWaalsContact O-CD2 3.27Å; E877-Y879 WeakPolarHBondContact O-CD2 3.39Å; E877-Y879 PolarHBondContact O-N 3.45Å
880	L	96.6	Very high	94.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155.3	175	63.2	166.9	0	0	0	111.7	L526 V528 F531 C870 Q873 A874 L910 L914	L526-L880 PolarHBondContact N-O 3.47Å; L526-L880 PolarHBondContact O-N 3.24Å; V528-L880 HydrophobicContact CG2-CD2 4.1Å; F531-L880 HydrophobicContact CB-CD2 3.8Å; F531-L880 HydrophobicContact CD1-CD1 4.07Å; F531-L880 HydrophobicContact CD1-CD2 4.34Å; F531-L880 HydrophobicContact CD2-CD1 3.76Å; F531-L880 HydrophobicContact CD2-CD2 4.06Å; F531-L880 HydrophobicContact CD2-CG 3.83Å; F531-L880 HydrophobicContact CE1-CD1 3.99Å; F531-L880 HydrophobicContact CE2-CD1 3.67Å; F531-L880 HydrophobicContact CE2-CG 4.18Å; F531-L880 HydrophobicContact CG-CD1 3.96Å; F531-L880 HydrophobicContact CG-CD2 3.81Å; F531-L880 HydrophobicContact CG-CG 4.07Å; F531-L880 HydrophobicContact CZ-CD1 3.8Å; C870-L880 HydrophobicContact CB-CD1 4.4Å; Q873-L880 HydrophobicContact CB-CB 4.34Å; A874-L880 HydrophobicContact CB-CB 4.29Å; A874-L880 HydrophobicContact CB-CD1 4.3Å; A874-L880 HydrophobicContact CB-CD2 4.12Å; A874-L880 HydrophobicContact CB-CG 4.48Å; L880-L910 HydrophobicContact CD1-CD1 4Å; L880-L910 HydrophobicContact CD1-CD2 4.46Å; L880-L914 HydrophobicContact CD1-CD1 4.28Å
881	D	96	Very high	93.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.144	C	C	.	.			trans	-141.5	91	179	-167.9	-26	0	0	0	110.2	S522 T524 R525 P883 D884 V885	S522-D881 WeakPolarHBondContact CB-OD2 3.49Å; S522-D881 PolarHBondContact OG-OD2 3.22Å; T524-D881 WeakPolarHBondContact CB-OD1 3.42Å; T524-D881 VanDerWaalsContact OG1-CG 3.24Å; T524-D881 PolarHBondContact OG1-OD1 3.38Å; T524-D881 PolarHBondContact OG1-OD2 2.71Å; T524-D881 VanDerWaalsContact OG1-OD2 3.05Å; R525-D881 HydrophobicContact CB-CB 4.27Å; R525-D881 PolarHBondContact N-OD2 3.27Å; D881-P883 WeakPolarHBondContact OD1-CD 3.17Å; D881-D884 HydrophobicContact CB-CB 3.96Å; D881-D884 WeakPolarHBondContact OD1-CB 3.41Å; D881-D884 PolarHBondContact OD1-N 2.85Å; D881-D884 WeakPolarHBondContact OD2-CB 3.5Å; D881-V885 WeakPolarHBondContact O-CB 3.26Å; D881-V885 VanDerWaalsContact O-CG2 3.3Å; D881-V885 WeakPolarHBondContact O-CG2 3.49Å; D881-V885 PolarHBondContact O-N 3.39Å
882	V	97.1	Very high	93.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-65.4	-43	-178.4	-178.2	0	0	0	0	111.5	F531 T866 C870 I886 Y903 I906 L910	F531-V882 HydrophobicContact CE2-CG2 3.83Å; F531-V882 HydrophobicContact CZ-CG2 4.3Å; T866-V882 HydrophobicContact CG2-CG1 4.1Å; C870-V882 HydrophobicContact CB-CG2 4.3Å; V882-I886 HydrophobicContact CG1-CD1 3.85Å; V882-I886 HydrophobicContact CG1-CG1 4.48Å; V882-I886 VanDerWaalsContact O-CG1 3.32Å; V882-I886 WeakPolarHBondContact O-CG1 3.23Å; V882-I886 PolarHBondContact O-N 2.77Å; V882-Y903 HydrophobicContact CG1-CD2 4.49Å; V882-Y903 HydrophobicContact CG1-CE2 3.93Å; V882-I906 HydrophobicContact CG1-CG2 3.9Å; V882-I906 HydrophobicContact CG2-CG2 4.44Å; V882-L910 HydrophobicContact CG2-CD1 3.71Å
883	P	95	Very high	93.7	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.052	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-43.4	174.2	-29.5	39.1	0	0	0	115.2	T524 L550 F551 D881 I886 N887	T524-P883 HydrophobicContact CG2-CB 3.91Å; T524-P883 HydrophobicContact CG2-CG 3.84Å; L550-P883 HydrophobicContact CD1-CB 4.08Å; L550-P883 HydrophobicContact CD1-CG 4.13Å; F551-P883 HydrophobicContact CZ-CB 4.4Å; D881-P883 WeakPolarHBondContact OD1-CD 3.17Å; P883-I886 PolarHBondContact O-N 3.05Å; P883-N887 PolarHBondContact O-N 2.98Å; P883-N887 PolarHBondContact O-ND2 3Å
884	D	93.5	Very high	93.3	Very high	15 Å²	15	27.6 Å²	27.6	8%	0.08	14%	0.143	C	C	.	.	H	α-helix	trans	-65.9	-46.8	176.9	167.5	64.2	0	0	0	111.6	D881 I886 N887 R888	D881-D884 HydrophobicContact CB-CB 3.96Å; D881-D884 WeakPolarHBondContact OD1-CB 3.41Å; D881-D884 PolarHBondContact OD1-N 2.85Å; D881-D884 WeakPolarHBondContact OD2-CB 3.5Å; D884-I886 VanDerWaalsContact C-N 3.26Å; D884-I886 PolarHBondContact O-N 2.96Å; D884-N887 CarbonylContact O-C 3.56Å; D884-N887 WeakPolarHBondContact O-CA 3.45Å; D884-N887 WeakPolarHBondContact O-CB 3.42Å; D884-N887 PolarHBondContact O-N 3.03Å; D884-R888 PolarHBondContact O-N 3.31Å; D884-R888 IonicContact OD1-NE 3.71Å; D884-R888 PolarHBondContact OD1-NE 2.84Å; D884-R888 IonicContact OD2-CZ 2.79Å; D884-R888 IonicContact OD2-NE 3.7Å; D884-R888 PolarHBondContact OD2-NE 3.05Å; D884-R888 IonicContact OD2-NH2 2.79Å; D884-R888 PolarHBondContact OD2-NH2 3.02Å
885	V	95.5	Very high	92.9	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-58.8	-40	177.9	170.3	0	0	0	0	111	T866 I869 D881 L889	T866-V885 HydrophobicContact CG2-CG1 3.92Å; I869-V885 HydrophobicContact CB-CG1 3.93Å; I869-V885 HydrophobicContact CD1-CG1 4.23Å; I869-V885 HydrophobicContact CG2-CB 4.47Å; I869-V885 HydrophobicContact CG2-CG1 3.76Å; I869-V885 HydrophobicContact CG2-CG2 3.75Å; D881-V885 WeakPolarHBondContact O-CB 3.26Å; D881-V885 VanDerWaalsContact O-CG2 3.3Å; D881-V885 WeakPolarHBondContact O-CG2 3.49Å; D881-V885 PolarHBondContact O-N 3.39Å; V885-L889 WeakPolarHBondContact O-CB 3.44Å; V885-L889 PolarHBondContact O-N 3.21Å
886	I	95	Very high	92.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-69.2	-36.2	175.2	-67.7	173.6	0	0	0	111.7	F551 T866 V882 P883 D884 R890 V897 Y903 I906	F551-I886 HydrophobicContact CD1-CG2 3.93Å; F551-I886 HydrophobicContact CD2-CG2 4.5Å; F551-I886 HydrophobicContact CE1-CB 4.08Å; F551-I886 HydrophobicContact CE1-CG2 3.48Å; F551-I886 VanDerWaalsContact CE1-CG2 3.48Å; F551-I886 HydrophobicContact CE2-CB 4.47Å; F551-I886 HydrophobicContact CE2-CD1 4.49Å; F551-I886 HydrophobicContact CE2-CG2 4.11Å; F551-I886 HydrophobicContact CG-CG2 4.42Å; F551-I886 HydrophobicContact CZ-CB 3.81Å; F551-I886 HydrophobicContact CZ-CG2 3.58Å; T866-I886 HydrophobicContact CG2-CD1 4.09Å; T866-I886 HydrophobicContact CG2-CG1 3.64Å; V882-I886 HydrophobicContact CG1-CD1 3.85Å; V882-I886 HydrophobicContact CG1-CG1 4.48Å; V882-I886 VanDerWaalsContact O-CG1 3.32Å; V882-I886 WeakPolarHBondContact O-CG1 3.23Å; V882-I886 PolarHBondContact O-N 2.77Å; P883-I886 PolarHBondContact O-N 3.05Å; D884-I886 VanDerWaalsContact C-N 3.26Å; D884-I886 PolarHBondContact O-N 2.96Å; I886-R890 HydrophobicContact CG2-CG 4.3Å; I886-R890 WeakPolarHBondContact O-CB 3.38Å; I886-R890 WeakPolarHBondContact O-CG 3.26Å; I886-R890 PolarHBondContact O-N 2.85Å; I886-V897 HydrophobicContact CD1-CB 4.2Å; I886-V897 HydrophobicContact CD1-CG1 4.28Å; I886-V897 HydrophobicContact CD1-CG2 3.87Å; I886-V897 HydrophobicContact CG1-CG2 3.97Å; I886-V897 HydrophobicContact CG2-CB 4.45Å; I886-Y903 HydrophobicContact CD1-CD2 3.51Å; I886-Y903 HydrophobicContact CD1-CE2 3.74Å; I886-I906 HydrophobicContact CD1-CD1 4.24Å
887	N	90.9	Very high	92.9	Very high	39 Å²	39	20.4 Å²	20.4	21%	0.209	10%	0.104	C	C	.	.	H	α-helix	trans	-62.7	-53.8	173.3	-89.5	-81.5	0	0	0	111.6	F551 K557 P883 D884 L889 R890 C891	F551-N887 WeakPolarHBondContact CE1-ND2 3.43Å; K557-N887 PolarHBondContact NZ-OD1 2.86Å; P883-N887 PolarHBondContact O-N 2.98Å; P883-N887 PolarHBondContact O-ND2 3Å; D884-N887 CarbonylContact O-C 3.56Å; D884-N887 WeakPolarHBondContact O-CA 3.45Å; D884-N887 WeakPolarHBondContact O-CB 3.42Å; D884-N887 PolarHBondContact O-N 3.03Å; N887-L889 VanDerWaalsContact C-N 3.3Å; N887-L889 PolarHBondContact O-N 3.45Å; N887-R890 PolarHBondContact O-N 3.17Å; N887-R890 VanDerWaalsContact O-N 3.16Å; N887-C891 PolarHBondContact O-N 3.34Å; N887-C891 PolarHBondContact O-SG 3.14Å
888	R	90.6	Very high	92.6	Very high	64 Å²	64	20.8 Å²	20.8	24%	0.242	11%	0.106	C	C	.	.	H	α-helix	trans	-56.5	-44.4	176.1	-75.7	-170.5	-78.5	141.9	1.4	111.4	L515 D884 R890 C891 Q892	L515-R888 PolarHBondContact O-NH1 2.79Å; D884-R888 PolarHBondContact O-N 3.31Å; D884-R888 IonicContact OD1-NE 3.71Å; D884-R888 PolarHBondContact OD1-NE 2.84Å; D884-R888 IonicContact OD2-CZ 2.79Å; D884-R888 IonicContact OD2-NE 3.7Å; D884-R888 PolarHBondContact OD2-NE 3.05Å; D884-R888 IonicContact OD2-NH2 2.79Å; D884-R888 PolarHBondContact OD2-NH2 3.02Å; R888-R890 PolarHBondContact O-N 3.45Å; R888-C891 WeakPolarHBondContact O-CB 3.49Å; R888-C891 PolarHBondContact O-N 3.06Å; R888-Q892 PolarHBondContact O-N 3.45Å
889	L	93.4	Very high	92.2	Very high	4 Å²	4	20 Å²	20	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-63.8	-39.3	177.5	-175.7	60.5	0	0	0	112.5	V611 L622 V865 T866 V885 N887 C891 Q892 R893 A896	V611-L889 HydrophobicContact CB-CD1 4.38Å; V611-L889 HydrophobicContact CG1-CD1 3.27Å; V611-L889 HydrophobicContact CG2-CD1 4.18Å; L622-L889 HydrophobicContact CD1-CD1 3.99Å; V865-L889 HydrophobicContact CB-CD2 4.31Å; V865-L889 HydrophobicContact CG1-CD1 3.94Å; V865-L889 HydrophobicContact CG1-CD2 4.18Å; T866-L889 VanDerWaalsContact OG1-CD2 3.31Å; T866-L889 WeakPolarHBondContact OG1-CD2 3.43Å; V885-L889 WeakPolarHBondContact O-CB 3.44Å; V885-L889 PolarHBondContact O-N 3.21Å; N887-L889 VanDerWaalsContact C-N 3.3Å; N887-L889 PolarHBondContact O-N 3.45Å; L889-C891 VanDerWaalsContact C-N 3.3Å; L889-C891 PolarHBondContact O-N 2.95Å; L889-Q892 PolarHBondContact O-N 3.06Å; L889-Q892 VanDerWaalsContact O-N 3.1Å; L889-R893 PolarHBondContact O-N 2.89Å; L889-A896 HydrophobicContact CB-CB 4.4Å; L889-A896 HydrophobicContact CD1-CB 4.48Å; L889-A896 HydrophobicContact CD2-CB 3.6Å; L889-A896 HydrophobicContact CG-CB 3.49Å; L889-A896 VanDerWaalsContact CG-CB 3.49Å
890	R	92.1	Very high	92	Very high	30 Å²	30	16.2 Å²	16.2	11%	0.113	8%	0.083	C	C	.	.	H	α-helix	trans	-69.2	-25.3	175.4	-73.3	166.6	93.5	100.5	-15.1	112.9	F551 I886 N887 R888 Q892 A894 A896 V897	F551-R890 PolarHBondContact O-NH2 2.95Å; I886-R890 HydrophobicContact CG2-CG 4.3Å; I886-R890 WeakPolarHBondContact O-CB 3.38Å; I886-R890 WeakPolarHBondContact O-CG 3.26Å; I886-R890 PolarHBondContact O-N 2.85Å; N887-R890 PolarHBondContact O-N 3.17Å; N887-R890 VanDerWaalsContact O-N 3.16Å; R888-R890 PolarHBondContact O-N 3.45Å; R890-Q892 PolarHBondContact O-N 3.24Å; R890-A894 VanDerWaalsContact O-CA 3.3Å; R890-A894 WeakPolarHBondContact O-CA 3.4Å; R890-A894 PolarHBondContact O-N 3.23Å; R890-A896 HydrophobicContact CG-CB 4.27Å; R890-A896 PolarHBondContact NH1-O 2.88Å; R890-V897 PolarHBondContact NH1-O 2.84Å
891	C	88.3	Confident	91.7	Very high	46 Å²	46	20.7 Å²	20.7	31%	0.311	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.3	169.8	-62.2	0	0	0	0	113.9	K557 L593 N887 R888 L889	K557-C891 WeakPolarHBondContact CB-SG 3.32Å; L593-C891 VanDerWaalsContact CD1-O 3.26Å; L593-C891 WeakPolarHBondContact CD1-O 3.36Å; N887-C891 PolarHBondContact O-N 3.34Å; N887-C891 PolarHBondContact O-SG 3.14Å; R888-C891 WeakPolarHBondContact O-CB 3.49Å; R888-C891 PolarHBondContact O-N 3.06Å; L889-C891 VanDerWaalsContact C-N 3.3Å; L889-C891 PolarHBondContact O-N 2.95Å
892	Q	91.8	Very high	91.6	Very high	40 Å²	40	21.5 Å²	21.5	19%	0.187	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-35.4	-178.8	-61.4	-173.6	-27.4	0	0	113.1	T596 N609 V611 D612 R888 L889 R890	T596-Q892 HydrophobicContact CG2-CB 4.23Å; T596-Q892 HydrophobicContact CG2-CG 4.27Å; T596-Q892 PolarHBondContact OG1-O 3.12Å; N609-Q892 VanDerWaalsContact CB-O 3.22Å; N609-Q892 WeakPolarHBondContact CB-O 3.42Å; V611-Q892 HydrophobicContact CG2-CB 3.89Å; D612-Q892 PolarHBondContact OD2-NE2 3.26Å; R888-Q892 PolarHBondContact O-N 3.45Å; L889-Q892 PolarHBondContact O-N 3.06Å; L889-Q892 VanDerWaalsContact O-N 3.1Å; R890-Q892 PolarHBondContact O-N 3.24Å
893	R	93.5	Very high	91.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-133.2	89.3	169.5	-175.6	68.1	177.4	177	2	108.6	H607 N609 V611 L622 A856 G857 I858 L889 G895 A896	H607-R893 PolarHBondContact CE1-NH1 2.7Å; H607-R893 VanDerWaalsContact CE1-NH1 3.31Å; H607-R893 PolarHBondContact CE1-NH2 3.04Å; H607-R893 VanDerWaalsContact CE1-NH2 3.33Å; H607-R893 PolarHBondContact ND1-NH1 2.86Å; H607-R893 PolarHBondContact ND1-NH2 2.93Å; N609-R893 VanDerWaalsContact OD1-CD 3.24Å; N609-R893 WeakPolarHBondContact OD1-CD 3.41Å; N609-R893 PolarHBondContact OD1-NH1 3.38Å; V611-R893 HydrophobicContact CG2-CB 3.94Å; L622-R893 HydrophobicContact CB-CB 4.44Å; L622-R893 HydrophobicContact CB-CG 4Å; L622-R893 HydrophobicContact CD1-CB 4.01Å; L622-R893 HydrophobicContact CD1-CG 4.11Å; L622-R893 PolarHBondContact O-NE 3.05Å; L622-R893 PolarHBondContact O-NH1 3.25Å; A856-R893 PolarHBondContact O-NH2 3.16Å; G857-R893 WeakPolarHBondContact O-CG 3.4Å; G857-R893 PolarHBondContact O-NE 3.07Å; I858-R893 HydrophobicContact CG2-CG 4.25Å; L889-R893 PolarHBondContact O-N 2.89Å; R893-G895 PolarHBondContact O-N 3.45Å; R893-A896 WeakPolarHBondContact O-CB 3.46Å; R893-A896 PolarHBondContact O-N 3.33Å; R893-A896 VanDerWaalsContact O-N 3.16Å
894	A	87	Confident	91.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	127	-179.8	0	0	0	0	0	112.4	M440 V556 P591 L593 I858 R890	M440-A894 HydrophobicContact CE-CB 4.42Å; V556-A894 HydrophobicContact CG1-CB 3.74Å; P591-A894 HydrophobicContact CG-CB 3.76Å; L593-A894 HydrophobicContact CD1-CB 4.13Å; L593-A894 HydrophobicContact CD2-CB 3.99Å; L593-A894 HydrophobicContact CG-CB 3.9Å; I858-A894 VanDerWaalsContact CG2-O 3.27Å; I858-A894 WeakPolarHBondContact CG2-O 3.41Å; R890-A894 VanDerWaalsContact O-CA 3.3Å; R890-A894 WeakPolarHBondContact O-CA 3.4Å; R890-A894 PolarHBondContact O-N 3.23Å
895	G	86.9	Confident	91.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	1	178	0	0	0	0	0	116.4	M440 R893 V897	M440-G895 VanDerWaalsContact CE-N 3.29Å; M440-G895 WeakPolarHBondContact SD-CA 3.39Å; R893-G895 PolarHBondContact O-N 3.45Å; G895-V897 CarbonylContact O-C 3.52Å; G895-V897 PolarHBondContact O-N 3.32Å
896	A	92.9	Very high	91.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.			trans	-50.7	132.3	174.8	0	0	0	0	0	112	I858 L889 R890 R893	I858-A896 WeakPolarHBondContact O-CA 3.5Å; L889-A896 HydrophobicContact CB-CB 4.4Å; L889-A896 HydrophobicContact CD1-CB 4.48Å; L889-A896 HydrophobicContact CD2-CB 3.6Å; L889-A896 HydrophobicContact CG-CB 3.49Å; L889-A896 VanDerWaalsContact CG-CB 3.49Å; R890-A896 HydrophobicContact CG-CB 4.27Å; R890-A896 PolarHBondContact NH1-O 2.88Å; R893-A896 WeakPolarHBondContact O-CB 3.46Å; R893-A896 PolarHBondContact O-N 3.33Å; R893-A896 VanDerWaalsContact O-N 3.16Å
897	V	93	Very high	91.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	61.7	95.8	-165.1	-169.1	0	0	0	0	111.2	F547 I858 I886 R890 G895 Q902 I906	F547-V897 HydrophobicContact CE2-CG1 4.11Å; I858-V897 PolarHBondContact O-N 3.26Å; I858-V897 VanDerWaalsContact O-N 3.11Å; I886-V897 HydrophobicContact CD1-CB 4.2Å; I886-V897 HydrophobicContact CD1-CG1 4.28Å; I886-V897 HydrophobicContact CD1-CG2 3.87Å; I886-V897 HydrophobicContact CG1-CG2 3.97Å; I886-V897 HydrophobicContact CG2-CB 4.45Å; R890-V897 PolarHBondContact NH1-O 2.84Å; G895-V897 CarbonylContact O-C 3.52Å; G895-V897 PolarHBondContact O-N 3.32Å; V897-Q902 HydrophobicContact CG1-CB 3.96Å; V897-I906 HydrophobicContact CG1-CD1 4.01Å; V897-I906 HydrophobicContact CG2-CD1 3.66Å
898	Q	84.6	Confident	92	Very high	58 Å²	58	22.5 Å²	22.5	27%	0.271	11%	0.109	S	C	.	.			trans	-86.9	-30.7	-164.5	-168.7	175.9	10.6	0	0	113.6	N438 I858	N438-Q898 WeakPolarHBondContact CB-O 3.43Å; N438-Q898 PolarHBondContact ND2-O 3.47Å; I858-Q898 HydrophobicContact CD1-CG 4.31Å
899	V	87.2	Confident	92.2	Very high	15 Å²	15	19.5 Å²	19.5	9%	0.091	10%	0.097	C	C	.	.	S	Bend	trans	-140	152.7	-172.8	-64.2	0	0	0	0	112.9	N438 K901 Q902 Y903	N438-V899 HydrophobicContact CB-CG1 4.44Å; V899-K901 HydrophobicContact CG2-CB 4.27Å; V899-K901 PolarHBondContact O-N 2.89Å; V899-K901 VanDerWaalsContact O-N 3.08Å; V899-Q902 HydrophobicContact CG2-CB 4.25Å; V899-Q902 HydrophobicContact CG2-CG 3.83Å; V899-Q902 WeakPolarHBondContact O-CB 3.22Å; V899-Q902 PolarHBondContact O-N 3.4Å; V899-Y903 PolarHBondContact O-N 3.19Å
900	A	90	Very high	92.4	Very high	14 Å²	14	19.3 Å²	19.3	12%	0.116	10%	0.096	C	C	.	.	H	α-helix	trans	-50.2	-35.1	178.3	0	0	0	0	0	114.8	T544 F547 Q902 Y903 A904	T544-A900 HydrophobicContact CG2-CB 3.85Å; F547-A900 HydrophobicContact CB-CB 4Å; F547-A900 HydrophobicContact CD1-CB 3.75Å; F547-A900 HydrophobicContact CG-CB 4.02Å; A900-Q902 PolarHBondContact O-N 3.39Å; A900-Y903 WeakPolarHBondContact O-CB 3.33Å; A900-Y903 PolarHBondContact O-N 2.89Å; A900-A904 WeakPolarHBondContact O-CB 3.46Å; A900-A904 PolarHBondContact O-N 3.19Å
901	K	91.4	Very high	92.5	Very high	95 Å²	95	18.7 Å²	18.7	41%	0.413	10%	0.096	S	C	.	.	H	α-helix	trans	-60	-42.8	173.3	-77.6	-173.3	158.8	-159.7	0	113.3	D786 V787 V899 Y903 A904 F905	D786-K901 WeakPolarHBondContact OD1-CD 3.33Å; D786-K901 IonicContact OD1-NZ 3.9Å; D786-K901 PolarHBondContact OD1-NZ 2.8Å; D786-K901 IonicContact OD2-NZ 2.8Å; D786-K901 PolarHBondContact OD2-NZ 3.48Å; V787-K901 HydrophobicContact CG1-CB 4.25Å; V899-K901 HydrophobicContact CG2-CB 4.27Å; V899-K901 PolarHBondContact O-N 2.89Å; V899-K901 VanDerWaalsContact O-N 3.08Å; K901-Y903 VanDerWaalsContact C-N 3.35Å; K901-A904 PolarHBondContact O-N 2.79Å; K901-F905 WeakPolarHBondContact O-CB 3.45Å; K901-F905 PolarHBondContact O-N 3.42Å
902	Q	93.7	Very high	92.7	Very high	18 Å²	18	17.7 Å²	17.7	8%	0.084	9%	0.089	C	C	.	.	H	α-helix	trans	-66.8	-40.8	178	-73.7	166.2	4.1	0	0	110.3	V787 G859 T863 V897 V899 A900 F905 I906	V787-Q902 HydrophobicContact CG1-CG 4.06Å; G859-Q902 VanDerWaalsContact CA-OE1 3.22Å; T863-Q902 WeakPolarHBondContact OG1-CB 3.37Å; V897-Q902 HydrophobicContact CG1-CB 3.96Å; V899-Q902 HydrophobicContact CG2-CB 4.25Å; V899-Q902 HydrophobicContact CG2-CG 3.83Å; V899-Q902 WeakPolarHBondContact O-CB 3.22Å; V899-Q902 PolarHBondContact O-N 3.4Å; A900-Q902 PolarHBondContact O-N 3.39Å; Q902-F905 PolarHBondContact O-N 3.38Å; Q902-I906 WeakPolarHBondContact O-CG1 3.49Å; Q902-I906 PolarHBondContact O-N 3.33Å; Q902-I906 VanDerWaalsContact O-N 3.08Å
903	Y	95.4	Very high	92.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.9	-50.8	173.9	-176.9	-99.8	0	0	0	112.3	L543 E546 F547 F551 V882 I886 V899 A900 K901 F905 I906 H907	L543-Y903 HydrophobicContact CB-CD1 4.25Å; L543-Y903 HydrophobicContact CB-CE1 4.28Å; L543-Y903 HydrophobicContact CD2-CE1 4.13Å; L543-Y903 VanDerWaalsContact O-CD1 3.28Å; L543-Y903 WeakPolarHBondContact O-CD1 3.16Å; E546-Y903 HydrophobicContact CB-CE1 4.27Å; E546-Y903 HydrophobicContact CG-CE1 3.89Å; E546-Y903 VanDerWaalsContact OE1-CE1 3.26Å; E546-Y903 WeakPolarHBondContact OE1-CE1 3.35Å; E546-Y903 PolarHBondContact OE1-OH 3.21Å; F547-Y903 HydrophobicContact CB-CD1 3.79Å; F547-Y903 HydrophobicContact CB-CE1 4.46Å; F547-Y903 HydrophobicContact CB-CG 3.92Å; F547-Y903 VanDerWaalsContact CD2-CB 3.47Å; F547-Y903 HydrophobicContact CD2-CD1 4.5Å; F547-Y903 HydrophobicContact CD2-CD2 4.02Å; F547-Y903 AromaticContact CD2-CG 3.76Å; F547-Y903 HydrophobicContact CD2-CG 3.76Å; F547-Y903 HydrophobicContact CG-CG 4.28Å; F551-Y903 HydrophobicContact CE2-CD2 4.24Å; F551-Y903 AromaticContact CE2-CE2 3.87Å; F551-Y903 HydrophobicContact CE2-CE2 3.87Å; V882-Y903 HydrophobicContact CG1-CD2 4.49Å; V882-Y903 HydrophobicContact CG1-CE2 3.93Å; I886-Y903 HydrophobicContact CD1-CD2 3.51Å; I886-Y903 HydrophobicContact CD1-CE2 3.74Å; V899-Y903 PolarHBondContact O-N 3.19Å; A900-Y903 WeakPolarHBondContact O-CB 3.33Å; A900-Y903 PolarHBondContact O-N 2.89Å; K901-Y903 VanDerWaalsContact C-N 3.35Å; Y903-F905 VanDerWaalsContact C-N 3.28Å; Y903-F905 PolarHBondContact O-N 2.81Å; Y903-I906 WeakPolarHBondContact O-CB 3.36Å; Y903-I906 PolarHBondContact O-N 2.93Å; Y903-H907 AromaticContact CD1-CD2 3.97Å; Y903-H907 AromaticContact CE1-CD2 3.63Å; Y903-H907 AromaticContact CE1-NE2 3.39Å; Y903-H907 WeakPolarHBondContact CE1-NE2 3.18Å; Y903-H907 AromaticContact CE2-NE2 3.7Å; Y903-H907 AromaticContact CZ-CD2 3.76Å; Y903-H907 AromaticContact CZ-NE2 3.11Å; Y903-H907 PolarHBondContact O-CD2 2.67Å; Y903-H907 VanDerWaalsContact O-CD2 3.31Å; Y903-H907 PolarHBondContact O-N 2.68Å; Y903-H907 PolarHBondContact OH-NE2 3.39Å
904	A	94.6	Very high	92.8	Very high	5 Å²	5	17.6 Å²	17.6	4%	0.041	9%	0.089	C	C	.	.	H	α-helix	trans	-61	-35.1	176.8	0	0	0	0	0	113	L543 A900 K901 H907 Q908	L543-A904 HydrophobicContact CB-CB 4.09Å; L543-A904 HydrophobicContact CD1-CB 4.21Å; A900-A904 WeakPolarHBondContact O-CB 3.46Å; A900-A904 PolarHBondContact O-N 3.19Å; K901-A904 PolarHBondContact O-N 2.79Å; A904-H907 PolarHBondContact O-N 3.43Å; A904-Q908 VanDerWaalsContact O-CG 3.26Å; A904-Q908 WeakPolarHBondContact O-CG 3.4Å; A904-Q908 PolarHBondContact O-N 2.88Å
905	F	95.7	Very high	93	Very high	3 Å²	3	19 Å²	19	1%	0.013	10%	0.099	C	C	.	.	H	α-helix	trans	-68.5	-35.8	176.7	-179.8	-97.8	0	0	0	113.3	V787 P788 F794 T863 K901 Q902 Y903 H907 Q908 A909	V787-F905 HydrophobicContact CB-CB 3.97Å; V787-F905 HydrophobicContact CB-CD1 4.47Å; V787-F905 HydrophobicContact CB-CD2 3.87Å; V787-F905 HydrophobicContact CB-CG 3.84Å; V787-F905 HydrophobicContact CG1-CB 3.75Å; V787-F905 HydrophobicContact CG1-CG 4.08Å; V787-F905 HydrophobicContact CG2-CB 4.17Å; V787-F905 HydrophobicContact CG2-CD2 3.94Å; V787-F905 HydrophobicContact CG2-CG 4.24Å; P788-F905 HydrophobicContact CB-CE2 4.03Å; P788-F905 HydrophobicContact CB-CZ 3.79Å; P788-F905 HydrophobicContact CG-CE1 4.07Å; P788-F905 HydrophobicContact CG-CE2 4.23Å; P788-F905 HydrophobicContact CG-CZ 3.65Å; P788-F905 WeakPolarHBondContact O-CE2 3.5Å; F794-F905 HydrophobicContact CB-CE1 4.39Å; F794-F905 HydrophobicContact CB-CZ 3.88Å; F794-F905 AromaticContact CD1-CE1 3.54Å; F794-F905 HydrophobicContact CD1-CE1 3.54Å; F794-F905 AromaticContact CD1-CZ 3.79Å; F794-F905 HydrophobicContact CD1-CZ 3.79Å; F794-F905 HydrophobicContact CD2-CE1 4.33Å; F794-F905 AromaticContact CE1-CE1 3.82Å; F794-F905 HydrophobicContact CE1-CE1 3.82Å; F794-F905 AromaticContact CG-CE1 3.81Å; F794-F905 HydrophobicContact CG-CE1 3.81Å; F794-F905 AromaticContact CG-CZ 3.81Å; F794-F905 HydrophobicContact CG-CZ 3.81Å; F794-F905 HydrophobicContact CZ-CE1 4.32Å; T863-F905 HydrophobicContact CG2-CD1 3.95Å; T863-F905 HydrophobicContact CG2-CE1 4.49Å; K901-F905 WeakPolarHBondContact O-CB 3.45Å; K901-F905 PolarHBondContact O-N 3.42Å; Q902-F905 PolarHBondContact O-N 3.38Å; Y903-F905 VanDerWaalsContact C-N 3.28Å; Y903-F905 PolarHBondContact O-N 2.81Å; F905-H907 VanDerWaalsContact C-N 3.34Å; F905-H907 PolarHBondContact O-N 2.85Å; F905-Q908 PolarHBondContact O-N 3.46Å; F905-A909 WeakPolarHBondContact O-CB 3.06Å; F905-A909 PolarHBondContact O-N 2.96Å
906	I	97.3	Very high	93.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.7	-50	172.4	-66.3	159.9	0	0	0	109.6	T863 T866 V882 I886 V897 Q902 Y903 Q908 A909 L910	T863-I906 HydrophobicContact CG2-CD1 4.37Å; T863-I906 HydrophobicContact CG2-CG1 3.83Å; T866-I906 HydrophobicContact CG2-CD1 3.97Å; T866-I906 HydrophobicContact CG2-CG2 3.94Å; V882-I906 HydrophobicContact CG1-CG2 3.9Å; V882-I906 HydrophobicContact CG2-CG2 4.44Å; I886-I906 HydrophobicContact CD1-CD1 4.24Å; V897-I906 HydrophobicContact CG1-CD1 4.01Å; V897-I906 HydrophobicContact CG2-CD1 3.66Å; Q902-I906 WeakPolarHBondContact O-CG1 3.49Å; Q902-I906 PolarHBondContact O-N 3.33Å; Q902-I906 VanDerWaalsContact O-N 3.08Å; Y903-I906 WeakPolarHBondContact O-CB 3.36Å; Y903-I906 PolarHBondContact O-N 2.93Å; I906-Q908 PolarHBondContact O-N 3.48Å; I906-A909 PolarHBondContact O-N 2.75Å; I906-L910 HydrophobicContact CG2-CD1 3.7Å; I906-L910 WeakPolarHBondContact O-CB 3.47Å; I906-L910 WeakPolarHBondContact O-CD1 3.47Å; I906-L910 VanDerWaalsContact O-CG 3.26Å; I906-L910 WeakPolarHBondContact O-CG 3.42Å; I906-L910 PolarHBondContact O-N 3.34Å
907	H	97.3	Very high	92.5	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.014	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-45.1	177.2	-76.6	-78.2	0	0	0	112.7	F531 V535 L543 E546 Y903 A904 F905 L910 V911	F531-H907 AromaticContact CE2-CE1 3.73Å; F531-H907 AromaticContact CE2-ND1 3.25Å; F531-H907 VanDerWaalsContact CE2-ND1 3.25Å; F531-H907 WeakPolarHBondContact CE2-ND1 3.4Å; F531-H907 HydrophobicContact CZ-CB 4.46Å; F531-H907 AromaticContact CZ-ND1 3.36Å; F531-H907 WeakPolarHBondContact CZ-ND1 3.24Å; V535-H907 HydrophobicContact CG1-CB 4.13Å; V535-H907 HydrophobicContact CG2-CB 3.94Å; V535-H907 WeakPolarHBondContact CG2-ND1 3.28Å; L543-H907 HydrophobicContact CD1-CB 3.64Å; L543-H907 HydrophobicContact CD2-CB 4.45Å; E546-H907 IonicContact OE1-NE2 2.65Å; Y903-H907 AromaticContact CD1-CD2 3.97Å; Y903-H907 AromaticContact CE1-CD2 3.63Å; Y903-H907 AromaticContact CE1-NE2 3.39Å; Y903-H907 WeakPolarHBondContact CE1-NE2 3.18Å; Y903-H907 AromaticContact CE2-NE2 3.7Å; Y903-H907 AromaticContact CZ-CD2 3.76Å; Y903-H907 AromaticContact CZ-NE2 3.11Å; Y903-H907 PolarHBondContact O-CD2 2.67Å; Y903-H907 VanDerWaalsContact O-CD2 3.31Å; Y903-H907 PolarHBondContact O-N 2.68Å; Y903-H907 PolarHBondContact OH-NE2 3.39Å; A904-H907 PolarHBondContact O-N 3.43Å; F905-H907 VanDerWaalsContact C-N 3.34Å; F905-H907 PolarHBondContact O-N 2.85Å; H907-L910 PolarHBondContact O-N 3.2Å; H907-V911 WeakPolarHBondContact O-CG2 3.36Å; H907-V911 PolarHBondContact O-N 3.08Å
908	Q	94.6	Very high	91.8	Very high	77 Å²	77	28.7 Å²	28.7	36%	0.36	14%	0.143	S	C	.	.	H	α-helix	trans	-61.6	-44	177.8	-73.3	165.1	-4	0	0	112.5	S540 A904 F905 I906 V911 S912	S540-Q908 PolarHBondContact OG-NE2 2.85Å; S540-Q908 VanDerWaalsContact OG-NE2 3.15Å; A904-Q908 VanDerWaalsContact O-CG 3.26Å; A904-Q908 WeakPolarHBondContact O-CG 3.4Å; A904-Q908 PolarHBondContact O-N 2.88Å; F905-Q908 PolarHBondContact O-N 3.46Å; I906-Q908 PolarHBondContact O-N 3.48Å; Q908-V911 PolarHBondContact O-N 2.84Å; Q908-S912 WeakPolarHBondContact O-CB 3.37Å; Q908-S912 PolarHBondContact O-N 3.01Å
909	A	95.7	Very high	91.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-44.2	177	0	0	0	0	0	112	L795 T867 F905 I906 V911 S912 Q913	L795-A909 HydrophobicContact CD1-CB 4.31Å; L795-A909 WeakPolarHBondContact CD1-O 3.34Å; L795-A909 HydrophobicContact CD2-CB 4.28Å; L795-A909 HydrophobicContact CG-CB 4.25Å; T867-A909 HydrophobicContact CG2-CB 4.34Å; F905-A909 WeakPolarHBondContact O-CB 3.06Å; F905-A909 PolarHBondContact O-N 2.96Å; I906-A909 PolarHBondContact O-N 2.75Å; A909-V911 PolarHBondContact O-N 2.96Å; A909-S912 PolarHBondContact O-N 3.4Å; A909-Q913 PolarHBondContact O-N 3.39Å
910	L	97	Very high	90.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-43.8	176.6	-70.1	164.8	0	0	0	111.4	F531 T867 C870 L871 L880 V882 I906 H907 Q913 L914	F531-L910 HydrophobicContact CE1-CB 3.59Å; F531-L910 HydrophobicContact CZ-CB 3.73Å; F531-L910 HydrophobicContact CZ-CD1 3.87Å; F531-L910 HydrophobicContact CZ-CG 4.47Å; T867-L910 HydrophobicContact CG2-CD2 4.36Å; T867-L910 HydrophobicContact CG2-CG 4.5Å; C870-L910 HydrophobicContact CB-CD1 3.69Å; C870-L910 HydrophobicContact CB-CD2 4Å; L871-L910 HydrophobicContact CB-CD2 3.87Å; L880-L910 HydrophobicContact CD1-CD1 4Å; L880-L910 HydrophobicContact CD1-CD2 4.46Å; V882-L910 HydrophobicContact CG2-CD1 3.71Å; I906-L910 HydrophobicContact CG2-CD1 3.7Å; I906-L910 WeakPolarHBondContact O-CB 3.47Å; I906-L910 WeakPolarHBondContact O-CD1 3.47Å; I906-L910 VanDerWaalsContact O-CG 3.26Å; I906-L910 WeakPolarHBondContact O-CG 3.42Å; I906-L910 PolarHBondContact O-N 3.34Å; H907-L910 PolarHBondContact O-N 3.2Å; L910-Q913 PolarHBondContact O-N 2.88Å; L910-L914 HydrophobicContact CB-CD1 4.35Å; L910-L914 VanDerWaalsContact O-CB 3.23Å; L910-L914 WeakPolarHBondContact O-CB 3.23Å; L910-L914 WeakPolarHBondContact O-CD1 3.37Å; L910-L914 WeakPolarHBondContact O-CG 3.36Å; L910-L914 PolarHBondContact O-N 2.83Å
911	V	95.3	Very high	89.2	Confident	18 Å²	18	40.7 Å²	40.7	11%	0.109	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-47.2	174.4	171.4	0	0	0	0	111.8	F531 I532 V535 H907 Q908 A909 Q913 L914 S915	F531-V911 HydrophobicContact CD1-CG2 4.09Å; F531-V911 HydrophobicContact CE1-CG2 3.71Å; I532-V911 HydrophobicContact CG1-CG1 4.44Å; I532-V911 HydrophobicContact CG1-CG2 4.25Å; I532-V911 HydrophobicContact CG2-CG1 4.35Å; V535-V911 HydrophobicContact CB-CG2 3.69Å; V535-V911 HydrophobicContact CG1-CG2 3.6Å; V535-V911 HydrophobicContact CG2-CG2 4.12Å; H907-V911 WeakPolarHBondContact O-CG2 3.36Å; H907-V911 PolarHBondContact O-N 3.08Å; Q908-V911 PolarHBondContact O-N 2.84Å; A909-V911 PolarHBondContact O-N 2.96Å; V911-Q913 VanDerWaalsContact C-N 3.32Å; V911-Q913 PolarHBondContact O-N 3.47Å; V911-L914 PolarHBondContact O-N 2.9Å; V911-S915 VanDerWaalsContact O-CB 3.28Å; V911-S915 WeakPolarHBondContact O-CB 3.36Å; V911-S915 PolarHBondContact O-N 3.47Å; V911-S915 PolarHBondContact O-OG 3.02Å; V911-S915 VanDerWaalsContact O-OG 3.05Å
912	S	92.2	Very high	87.6	Confident	24 Å²	24	41.3 Å²	41.3	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-55	-45.4	178.6	170.3	0	0	0	0	112.2	E792 Q908 A909 K916	E792-S912 WeakPolarHBondContact CG-OG 3.34Å; E792-S912 PolarHBondContact OE1-OG 3.41Å; Q908-S912 WeakPolarHBondContact O-CB 3.37Å; Q908-S912 PolarHBondContact O-N 3.01Å; A909-S912 PolarHBondContact O-N 3.4Å; S912-K916 WeakPolarHBondContact O-CG 3.38Å
913	Q	93.5	Very high	85.7	Confident	34 Å²	34	45.2 Å²	45.2	16%	0.159	23%	0.228	C	C	.	.	H	α-helix	trans	-71.5	-47.3	178.7	-172.7	60.9	23.4	0	0	112.7	L795 L871 A909 L910 V911 K916 Q917	L795-Q913 HydrophobicContact CD1-CB 3.94Å; L795-Q913 HydrophobicContact CD2-CB 4.17Å; L871-Q913 HydrophobicContact CD1-CB 4.36Å; L871-Q913 HydrophobicContact CD1-CG 3.77Å; L871-Q913 HydrophobicContact CD2-CG 4.28Å; A909-Q913 PolarHBondContact O-N 3.39Å; L910-Q913 PolarHBondContact O-N 2.88Å; V911-Q913 VanDerWaalsContact C-N 3.32Å; V911-Q913 PolarHBondContact O-N 3.47Å; Q913-K916 PolarHBondContact O-N 2.81Å; Q913-Q917 PolarHBondContact O-N 3.46Å
914	L	94.2	Very high	83.8	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-74.5	-34.2	-171.3	-65.7	168.5	0	0	0	112.4	V528 I532 L871 A874 L880 L910 V911 K916 Q917 Q918	V528-L914 HydrophobicContact CG1-CB 3.86Å; V528-L914 HydrophobicContact CG1-CD1 4.15Å; V528-L914 HydrophobicContact CG1-CD2 4.31Å; V528-L914 HydrophobicContact CG1-CG 4.33Å; V528-L914 HydrophobicContact CG2-CD1 4.35Å; V528-L914 HydrophobicContact CG2-CD2 4.43Å; I532-L914 HydrophobicContact CD1-CB 4.04Å; L871-L914 HydrophobicContact CD1-CD2 4.12Å; A874-L914 HydrophobicContact CB-CD1 3.74Å; A874-L914 HydrophobicContact CB-CD2 3.67Å; A874-L914 HydrophobicContact CB-CG 4.36Å; L880-L914 HydrophobicContact CD1-CD1 4.28Å; L910-L914 HydrophobicContact CB-CD1 4.35Å; L910-L914 VanDerWaalsContact O-CB 3.23Å; L910-L914 WeakPolarHBondContact O-CB 3.23Å; L910-L914 WeakPolarHBondContact O-CD1 3.37Å; L910-L914 WeakPolarHBondContact O-CG 3.36Å; L910-L914 PolarHBondContact O-N 2.83Å; V911-L914 PolarHBondContact O-N 2.9Å; L914-K916 VanDerWaalsContact C-N 3.34Å; L914-K916 PolarHBondContact O-N 3.32Å; L914-Q917 PolarHBondContact O-N 3.42Å; L914-Q918 PolarHBondContact O-N 3.04Å
915	S	91.2	Very high	81.7	Confident	29 Å²	29	56.4 Å²	56.4	20%	0.203	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-39	174.3	-64.7	0	0	0	0	112.2	V911 Q917 Q918 I919	V911-S915 VanDerWaalsContact O-CB 3.28Å; V911-S915 WeakPolarHBondContact O-CB 3.36Å; V911-S915 PolarHBondContact O-N 3.47Å; V911-S915 PolarHBondContact O-OG 3.02Å; V911-S915 VanDerWaalsContact O-OG 3.05Å; S915-Q917 PolarHBondContact O-N 2.71Å; S915-Q918 PolarHBondContact O-N 2.99Å; S915-I919 WeakPolarHBondContact O-CG1 3.38Å; S915-I919 PolarHBondContact O-N 3.38Å
916	K	87.9	Confident	79.4	Confident	88 Å²	88	64.2 Å²	64.2	38%	0.383	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-43.6	175	-69.2	-178.5	-177	-164.3	0	111.8	E792 S912 Q913 L914 Q918 I919 N920	E792-K916 WeakPolarHBondContact OE1-CE 3.39Å; E792-K916 IonicContact OE1-NZ 3.22Å; E792-K916 PolarHBondContact OE1-NZ 3.01Å; E792-K916 IonicContact OE2-NZ 3.23Å; E792-K916 PolarHBondContact OE2-NZ 3.44Å; S912-K916 WeakPolarHBondContact O-CG 3.38Å; Q913-K916 PolarHBondContact O-N 2.81Å; L914-K916 VanDerWaalsContact C-N 3.34Å; L914-K916 PolarHBondContact O-N 3.32Å; K916-Q918 VanDerWaalsContact C-N 3.31Å; K916-Q918 PolarHBondContact O-N 3.38Å; K916-I919 PolarHBondContact O-N 2.99Å; K916-N920 PolarHBondContact O-N 3.39Å; K916-N920 PolarHBondContact O-OD1 2.64Å
917	Q	80.7	Confident	76.9	Confident	45 Å²	45	72.2 Å²	72.2	21%	0.21	36%	0.36	C	S	.	.	H	α-helix	trans	-69.1	-27.4	178.9	-68.9	178.9	-28.5	0	0	113.5	Q913 L914 S915 K921	Q913-Q917 PolarHBondContact O-N 3.46Å; L914-Q917 PolarHBondContact O-N 3.42Å; S915-Q917 PolarHBondContact O-N 2.71Å; Q917-K921 WeakPolarHBondContact O-CB 3.32Å; Q917-K921 WeakPolarHBondContact O-CG 3.34Å; Q917-K921 PolarHBondContact O-N 3.34Å
918	Q	78.2	Confident	74	Confident	73 Å²	73	77.6 Å²	77.6	34%	0.341	40%	0.398	S	S	.	.	H	α-helix	trans	-70.8	-33.4	171	-76	-173.6	-31.1	0	0	112.7	L914 S915 K916 N922	L914-Q918 PolarHBondContact O-N 3.04Å; S915-Q918 PolarHBondContact O-N 2.99Å; K916-Q918 VanDerWaalsContact C-N 3.31Å; K916-Q918 PolarHBondContact O-N 3.38Å; Q918-N922 VanDerWaalsContact O-CG 3.3Å; Q918-N922 PolarHBondContact O-N 3.46Å; Q918-N922 PolarHBondContact O-ND2 2.92Å
919	I	71.2	Confident	71	Confident	98 Å²	98	77.7 Å²	77.7	50%	0.503	42%	0.419	S	S	.	.	H	α-helix	trans	-65.9	-56.5	175.5	-66.3	163.8	0	0	0	109.8	S915 K916 K921 N922 D923	S915-I919 WeakPolarHBondContact O-CG1 3.38Å; S915-I919 PolarHBondContact O-N 3.38Å; K916-I919 PolarHBondContact O-N 2.99Å; I919-K921 VanDerWaalsContact C-N 3.27Å; I919-K921 PolarHBondContact O-N 3.13Å; I919-N922 WeakPolarHBondContact O-CB 3.47Å; I919-N922 PolarHBondContact O-N 3.18Å; I919-D923 PolarHBondContact O-N 2.65Å
920	N	70.3	Confident	68	Low	100 Å²	100	81.2 Å²	81.2	54%	0.535	46%	0.456	S	S	.	.	H	α-helix	trans	-52.8	-44.6	-179.4	-66.5	34.5	0	0	0	112.4	K916 N922 D923 D924	K916-N920 PolarHBondContact O-N 3.39Å; K916-N920 PolarHBondContact O-OD1 2.64Å; N920-N922 PolarHBondContact O-N 3.32Å; N920-D923 PolarHBondContact O-N 2.72Å; N920-D923 VanDerWaalsContact O-N 3.14Å; N920-D924 VanDerWaalsContact O-CG 3.26Å; N920-D924 PolarHBondContact O-N 2.77Å
921	K	65.6	Low	64.7	Low	141 Å²	141	85.6 Å²	85.6	61%	0.613	50%	0.501	S	S	*	.	H	α-helix	trans	-63.2	-20.5	178.2	-77.8	-178.1	176.4	-175.4	0	114.4	Q917 I919 N925	Q917-K921 WeakPolarHBondContact O-CB 3.32Å; Q917-K921 WeakPolarHBondContact O-CG 3.34Å; Q917-K921 PolarHBondContact O-N 3.34Å; I919-K921 VanDerWaalsContact C-N 3.27Å; I919-K921 PolarHBondContact O-N 3.13Å; K921-N925 PolarHBondContact O-ND2 3.12Å
922	N	57.4	Low	61.6	Low	108 Å²	108	88.1 Å²	88.1	58%	0.578	53%	0.531	S	S	*	.	H	α-helix	trans	-85.6	-36.9	174.5	-66.7	-21.7	0	0	0	111.3	Q918 I919 N920 N925	Q918-N922 VanDerWaalsContact O-CG 3.3Å; Q918-N922 PolarHBondContact O-N 3.46Å; Q918-N922 PolarHBondContact O-ND2 2.92Å; I919-N922 WeakPolarHBondContact O-CB 3.47Å; I919-N922 PolarHBondContact O-N 3.18Å; N920-N922 PolarHBondContact O-N 3.32Å; N922-N925 PolarHBondContact O-N 2.84Å
923	D	55	Low	58.6	Low	100 Å²	100	95 Å²	95	54%	0.535	57%	0.566	S	S	.	*	H	α-helix	trans	-67.4	-44.4	177.5	-61.8	-34.4	0	0	0	111.2	I919 N920 N925 H926	I919-D923 PolarHBondContact O-N 2.65Å; N920-D923 PolarHBondContact O-N 2.72Å; N920-D923 VanDerWaalsContact O-N 3.14Å; D923-N925 PolarHBondContact O-N 3.07Å; D923-H926 PolarHBondContact O-N 2.91Å
924	D	54	Low	55.7	Low	114 Å²	114	100.6 Å²	100.6	61%	0.61	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-55.4	-36	176.3	-67.2	-31.3	0	0	0	112.3	N920 H926 H927	N920-D924 VanDerWaalsContact O-CG 3.26Å; N920-D924 PolarHBondContact O-N 2.77Å; D924-H926 VanDerWaalsContact C-N 3.28Å; D924-H926 PolarHBondContact O-N 3.32Å; D924-H927 PolarHBondContact O-N 3.19Å
925	N	50.8	Low	52.7	Low	126 Å²	126	108 Å²	108	67%	0.674	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-74.9	-12	-179.8	-86	-67.2	0	0	0	114	K921 N922 D923	K921-N925 PolarHBondContact O-ND2 3.12Å; N922-N925 PolarHBondContact O-N 2.84Å; D923-N925 PolarHBondContact O-N 3.07Å
926	H	48.2	Very low	49.8	Very low	166 Å²	166	113.2 Å²	113.2	77%	0.769	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-100.1	-4.6	175.5	-91.9	-53.1	0	0	0	114.2	D923 D924	D923-H926 PolarHBondContact O-N 2.91Å; D924-H926 VanDerWaalsContact C-N 3.28Å; D924-H926 PolarHBondContact O-N 3.32Å
927	H	45.4	Very low	47.2	Very low	169 Å²	169	114.1 Å²	114.1	78%	0.782	67%	0.674	S	S	*	*			trans	-125.8	36.7	-178.7	-79.3	4.4	0	0	0	113.9	D924 G929	D924-H927 PolarHBondContact O-N 3.19Å; H927-G929 PolarHBondContact O-N 3.25Å
928	S	35.8	Very low	44.9	Very low	115 Å²	115	116.9 Å²	116.9	80%	0.804	69%	0.694	S	S	*	*			trans	-71.8	63.3	172.2	46.1	0	0	0	0	113.1
929	G	31.5	Very low	42.7	Very low	79 Å²	79	117.9 Å²	117.9	81%	0.814	70%	0.701	S	S	*	*	S	Bend	trans	-155.9	25.8	-168.8	0	0	0	0	0	116.8	H927	H927-G929 PolarHBondContact O-N 3.25Å
930	G	33.1	Very low	41.2	Very low	74 Å²	74	118.9 Å²	118.9	76%	0.763	71%	0.711	S	S	*	*			trans	-170.6	134.1	175.1	0	0	0	0	0	112.7
931	G	27.7	Very low	39.7	Very low	92 Å²	92	119.9 Å²	119.9	95%	0.948	72%	0.72	S	S	*	*			trans	-89.7	134.7	177.8	0	0	0	0	0	112.3
932	G	30.3	Very low	38.3	Very low	72 Å²	72	118.7 Å²	118.7	74%	0.742	73%	0.726	S	S	*	*			trans	-161.6	129.1	172.6	0	0	0	0	0	110
933	N	29.1	Very low	37.1	Very low	168 Å²	168	119.4 Å²	119.4	90%	0.898	74%	0.735	S	S	*	*			trans	-85.5	115.2	179.7	-62.7	-28	0	0	0	109.7
934	D	32.6	Very low	36	Very low	151 Å²	151	120.6 Å²	120.6	81%	0.807	75%	0.747	S	S	*	*			trans	-145.2	100.9	163.7	-98.7	-45	0	0	0	110.2	I936	D934-I936 PolarHBondContact O-N 3.26Å
935	D	30.6	Very low	34.8	Very low	159 Å²	159	121 Å²	121	85%	0.85	76%	0.756	S	S	*	*			trans	-78.8	62.2	-172.6	-116.2	-37.6	0	0	0	112.8	T937	D935-T937 VanDerWaalsContact C-N 3.35Å; D935-T937 PolarHBondContact O-N 3.34Å
936	I	31.3	Very low	33.7	Very low	139 Å²	139	120.6 Å²	120.6	71%	0.713	76%	0.762	S	S	*	*			trans	-97.3	62.8	170.4	-49.3	-174.7	0	0	0	109.4	D934 V938	D934-I936 PolarHBondContact O-N 3.26Å; I936-V938 PolarHBondContact O-N 2.94Å
937	T	33.4	Very low	32.6	Very low	108 Å²	108	117.2 Å²	117.2	66%	0.663	76%	0.762	S	S	*	*			trans	-67.1	103.9	173	-59.1	0	0	0	0	110	D935 L939	D935-T937 VanDerWaalsContact C-N 3.35Å; D935-T937 PolarHBondContact O-N 3.34Å; T937-L939 PolarHBondContact O-N 3.22Å
938	V	31.5	Very low	31.5	Very low	103 Å²	103	112.8 Å²	112.8	62%	0.624	76%	0.76	S	S	*	*			trans	-73.8	90.6	-175.3	-177.9	0	0	0	0	112	I936	I936-V938 PolarHBondContact O-N 2.94Å
939	L	31.4	Very low	31.1	Very low	94 Å²	94	112.6 Å²	112.6	49%	0.492	76%	0.756	S	S	.	*			trans	-150.9	0	168.5	-98	178.7	0	0	0	113.6	Q803 K806 L875 T937	Q803-L939 PolarHBondContact NE2-O 2.81Å; Q803-L939 PolarHBondContact OE1-O 3.34Å; K806-L939 PolarHBondContact NZ-O 3.32Å; L875-L939 HydrophobicContact CD1-CD2 4.07Å; T937-L939 PolarHBondContact O-N 3.22Å

Retrieved 939 of 939 residues in 1281.7 ms (Link to these results)

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