A0A077ZGQ5_TRITR Loading...

Protein ECT2

AlphaFold DB , UniProt , Accession A0A077ZGQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 828 aa.

						>A0A077ZGQ5_TRITR|A0A077ZGQ5
MSAIVSMANVGESFNCDEPMDESVRTNQTADSLLPLSDAELKSFCLVGNARFTECLKEVLQKHVGLPVCESERGVDYIHEKDMAFILNDFSGPDFSYLYHAGRRIYGPTIIFESVQAKSPLPLKSRPLYCNAMKDVTICFAGFSDKKTLVRYVDLVHYMGGSVRRNFTLSVTHVVANTTQSSKYRLAVGMGKRAMHESWVLKTWEKRNIPMTSALSPELLKLTLAPFHGLKLYFHGFSSSEEGHMTELAKQNGASVCRATSCSHFVADPSVKAETVSSLDEELNCHFVTAEWFWVSIQLDLCANEDMYTLTKAKNQKLRGCNRLEMPAYNRQSGGKIVDSSRNRSEEAGQGNVSLELSSEMSSTLDHIFSSEDLETAASSPRRGMSKRQQVAVELMQTECKYVEVLNTIITLYKEPLENPSVTGGDLLLDMAEIKIIFGNLPEIHDLHSKLYRELANLIYHWSESQIRSINLQAEEMVKVYPPYINFYERTKEMLNFCDRTKPRFHAFLKARQNRPESNRETLQDLIIRPVQRLPSVILLLSGKSRPNTEKSNADHDDIQRAIEALKRVLTFINEDKRRTEGQVKLFDIVNQIENCPPYVLSSHRQFIAHVDTTALSNGPLTKKGMECTFYLFNDCLEVITKRRVKPAAAGTDVRNRGASAKQKHVDLLFMSNIRRVVDVDFPKMPNLFCLTIRNSMGDTNYTFQMNQNVSADAKVTFLKSICKQVLKTACRAEFNLQRLESIELCDDSELAFSINKATKYCSTNGHRLTQVFSFNNKSNRLRRAVSQMALNMSNHLRRMSRSNLRLPLRGIAEENDTVSTQSVDRAR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.8	Very low	30.2	Very low	250 Å²	250	137.7 Å²	137.7	100%	1.232	85%	0.846	S	S	*	*				0	118.3	0	-71.1	-163.6	-88.5	0	0	106.1
2	S	25.6	Very low	30.3	Very low	121 Å²	121	140.5 Å²	140.5	85%	0.846	84%	0.842	S	S	*	*			cis	-158	147.7	10.8	-178.8	0	0	0	0	108.8
3	A	27.1	Very low	30.1	Very low	91 Å²	91	138.4 Å²	138.4	75%	0.752	84%	0.838	S	S	*	*			trans	75.6	127.2	177.9	0	0	0	0	0	115
4	I	36.6	Very low	30.1	Very low	162 Å²	162	141.3 Å²	141.3	83%	0.831	83%	0.834	S	S	*	*			cis	-149.8	108.8	38.7	-66.9	167.8	0	0	0	109.5
5	V	29.7	Very low	29.8	Very low	149 Å²	149	142.3 Å²	142.3	90%	0.903	83%	0.834	S	S	*	*			trans	-129	113.5	151.2	169.4	0	0	0	0	104.3
6	S	30.4	Very low	29.8	Very low	98 Å²	98	140.4 Å²	140.4	69%	0.685	83%	0.83	S	S	*	*			trans	154.5	112.7	159.2	167.6	0	0	0	0	110.2
7	M	33.8	Very low	29.7	Very low	185 Å²	185	141.2 Å²	141.2	91%	0.911	83%	0.829	S	S	*	*				163.2	135.4	127.4	-81	-142.1	-179.4	0	0	107.9
8	A	31.4	Very low	29.9	Very low	87 Å²	87	143.9 Å²	143.9	72%	0.719	83%	0.833	S	S	*	*			cis	-173.3	142.5	-18.9	0	0	0	0	0	104
9	N	27.8	Very low	30.2	Very low	166 Å²	166	141.7 Å²	141.7	89%	0.888	82%	0.824	S	S	*	*			trans	-53.8	133.6	166.3	-76.5	-34.3	0	0	0	111.2
10	V	33.2	Very low	30.1	Very low	137 Å²	137	143 Å²	143	83%	0.83	82%	0.824	S	S	*	*			trans	-138.6	110.9	139.8	-179.2	0	0	0	0	106.4
11	G	28	Very low	30.2	Very low	69 Å²	69	143.3 Å²	143.3	71%	0.711	82%	0.823	S	S	*	*			trans	-78.5	142.5	165.1	0	0	0	0	0	109.6
12	E	31.4	Very low	30.3	Very low	171 Å²	171	139.5 Å²	139.5	80%	0.799	80%	0.802	S	S	*	*			trans	-148.5	112.7	153.2	-108.9	174.4	-165.7	0	0	107.7
13	S	27.6	Very low	30.6	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	80%	0.8	S	S	*	*			trans	-64	127.4	165.3	44.8	0	0	0	0	110.4
14	F	29.8	Very low	31	Very low	179 Å²	179	141.5 Å²	141.5	79%	0.785	80%	0.804	S	S	*	*			trans	-136.8	98.8	156.9	-101.3	-86	0	0	0	109.2
15	N	25.5	Very low	30.6	Very low	156 Å²	156	144.6 Å²	144.6	83%	0.834	81%	0.806	S	S	*	*			trans	-69.6	127.5	148.8	-86.7	-15.5	0	0	0	107.3
16	C	30.4	Very low	30.7	Very low	113 Å²	113	143.6 Å²	143.6	76%	0.764	80%	0.8	S	S	*	*			trans	-146.9	106.1	148.8	-80.8	0	0	0	0	107.5
17	D	28.8	Very low	30.8	Very low	153 Å²	153	146.4 Å²	146.4	82%	0.818	81%	0.807	S	S	*	*			trans	-51.3	139.3	151.1	-69.3	-60.5	0	0	0	110.3
18	E	32.1	Very low	30.5	Very low	190 Å²	190	146.7 Å²	146.7	89%	0.888	81%	0.806	S	S	*	*				168.6	156.9	125.9	-92.5	-161.8	155.5	0	0	112.5
19	P	35.1	Very low	30.6	Very low	103 Å²	103	149.5 Å²	149.5	67%	0.669	82%	0.815	S	S	*	*			trans	-118.3	178.7	-143.9	43.1	-31.3	0	0	0	115.2
20	M	28.3	Very low	30.9	Very low	166 Å²	166	145.4 Å²	145.4	82%	0.818	80%	0.804	S	S	*	*			trans	61.1	110	152.1	-66.7	-86.3	-83.3	0	0	119.9
21	D	33.3	Very low	30.8	Very low	151 Å²	151	146 Å²	146	81%	0.807	80%	0.803	S	S	*	*				-171	101.8	125.9	-125.7	-6.5	0	0	0	109.1
22	E	30	Very low	30.8	Very low	169 Å²	169	147.6 Å²	147.6	79%	0.79	80%	0.803	S	S	*	*				39	95.5	99.9	-89.4	-165.8	164.3	0	0	116.5
23	S	33	Very low	30.7	Very low	115 Å²	115	148 Å²	148	80%	0.804	81%	0.81	S	S	*	*				167.2	128.4	118.1	51.4	0	0	0	0	111.7
24	V	34.8	Very low	30.7	Very low	140 Å²	140	150.4 Å²	150.4	85%	0.848	81%	0.813	S	S	*	*				161.7	107.7	127.4	168.1	0	0	0	0	108.8
25	R	28.8	Very low	30.6	Very low	227 Å²	227	147.4 Å²	147.4	86%	0.857	81%	0.811	S	S	*	*			trans	-52.4	143.3	172.9	-62.7	163.4	174.6	174.3	-3	111
26	T	31.6	Very low	30.7	Very low	127 Å²	127	148.4 Å²	148.4	78%	0.779	82%	0.816	S	S	*	*				-174.7	143.4	86.4	21.3	0	0	0	0	113.3
27	N	31.4	Very low	30.6	Very low	157 Å²	157	147.8 Å²	147.8	84%	0.84	81%	0.812	S	S	*	*			trans	88	76.5	157.3	-59.5	-4.7	0	0	0	119.2
28	Q	29.2	Very low	30.7	Very low	191 Å²	191	148.2 Å²	148.2	89%	0.893	82%	0.815	S	S	*	*			trans	-97.3	130.6	142.3	-75.8	179.2	-0.8	0	0	109.8
29	T	33.5	Very low	31.6	Very low	147 Å²	147	141.3 Å²	141.3	90%	0.902	79%	0.79	S	S	*	*			trans	-166.6	135.2	144.8	36.9	0	0	0	0	103.9
30	A	33.4	Very low	32.9	Very low	80 Å²	80	143.9 Å²	143.9	66%	0.661	79%	0.793	S	S	*	*			cis	-153.3	129.6	4.6	0	0	0	0	0	104.8
31	D	30.2	Very low	35.1	Very low	149 Å²	149	137.1 Å²	137.1	80%	0.797	76%	0.76	S	S	*	*				94.9	106.7	101.2	-82.3	-20.9	0	0	0	114.3
32	S	28.4	Very low	37.1	Very low	103 Å²	103	135.8 Å²	135.8	72%	0.72	75%	0.747	S	S	*	*			trans	46.1	113.6	132.3	64.1	0	0	0	0	118.6
33	L	30.2	Very low	39.6	Very low	179 Å²	179	128.2 Å²	128.2	94%	0.937	71%	0.713	S	S	*	*				-160.5	118.2	117.3	-95.8	167.7	0	0	0	109.2
34	L	27.1	Very low	42	Very low	164 Å²	164	122.8 Å²	122.8	86%	0.859	68%	0.675	S	S	*	*			trans	-66.3	168.5	171.5	-80.1	163.3	0	0	0	111.1
35	P	27.3	Very low	44.5	Very low	115 Å²	115	116.1 Å²	116.1	75%	0.747	63%	0.634	S	S	*	*			trans	-85.1	139.2	-133.1	35.1	-35.8	0	0	0	114.3
36	L	27.3	Very low	47.2	Very low	178 Å²	178	105.3 Å²	105.3	93%	0.932	59%	0.594	S	S	*	*			trans	-99.1	100.1	168.8	-74.9	166.2	0	0	0	110.1
37	S	28.3	Very low	49.8	Very low	99 Å²	99	99.5 Å²	99.5	69%	0.692	56%	0.558	S	S	*	*			trans	-64	150.5	158	45.5	0	0	0	0	111.3
38	D	30.8	Very low	52.4	Low	162 Å²	162	93 Å²	93	87%	0.866	53%	0.528	S	S	*	.			trans	60.6	80.3	169.2	-60.2	-18	0	0	0	118.3
39	A	51.3	Low	54.9	Low	45 Å²	45	89.5 Å²	89.5	37%	0.372	52%	0.516	S	S	.	.			trans	-118.3	75.5	165.6	0	0	0	0	0	110.6	R104	A39-R104 PolarHBondContact O-NH1 2.86Å; A39-R104 VanDerWaalsContact O-NH1 3.12Å; A39-R104 PolarHBondContact O-NH2 3.17Å
40	E	63.4	Low	57.1	Low	158 Å²	158	82.5 Å²	82.5	74%	0.738	47%	0.473	S	S	*	.			trans	-53.6	132.8	166.4	-75.9	-175.2	152.2	0	0	109.9	K42	E40-K42 PolarHBondContact O-N 3.18Å
41	L	73.5	Confident	59.2	Low	23 Å²	23	82.2 Å²	82.2	12%	0.12	46%	0.455	C	S	.	.			trans	-67.5	121.6	174.4	-154.7	96.2	0	0	0	108.4	F44 L66 A84 L123	L41-F44 HydrophobicContact CD2-CD1 4.06Å; L41-F44 HydrophobicContact CD2-CD2 4.23Å; L41-F44 HydrophobicContact CD2-CE1 3.4Å; L41-F44 VanDerWaalsContact CD2-CE1 3.4Å; L41-F44 HydrophobicContact CD2-CE2 3.59Å; L41-F44 HydrophobicContact CD2-CG 4.44Å; L41-F44 HydrophobicContact CD2-CZ 3.13Å; L41-L66 HydrophobicContact CB-CD1 4.14Å; L41-L66 HydrophobicContact CD2-CD1 3.83Å; L41-L66 HydrophobicContact CG-CD1 4.44Å; L41-L66 WeakPolarHBondContact O-CD1 3.3Å; L41-L66 WeakPolarHBondContact O-CD2 3.46Å; L41-A84 HydrophobicContact CD1-CB 3.58Å; L41-A84 HydrophobicContact CD2-CB 4.1Å; L41-A84 HydrophobicContact CG-CB 4.25Å; L41-L123 HydrophobicContact CB-CD2 4.38Å
42	K	75.4	Confident	61.4	Low	123 Å²	123	81.6 Å²	81.6	54%	0.535	45%	0.445	S	S	.	.			trans	-99.7	-24.5	-176.2	-71.5	-179.9	-175	152.1	0	114	E40 P67 D82	E40-K42 PolarHBondContact O-N 3.18Å; K42-P67 WeakPolarHBondContact O-CD 3.39Å; K42-P67 WeakPolarHBondContact O-CG 3.11Å; K42-D82 HydrophobicContact CB-CB 4.02Å; K42-D82 HydrophobicContact CD-CB 3.96Å; K42-D82 WeakPolarHBondContact CD-OD2 3.5Å; K42-D82 WeakPolarHBondContact CE-OD2 3.33Å; K42-D82 HydrophobicContact CG-CB 4.01Å; K42-D82 PolarHBondContact N-O 3.45Å; K42-D82 IonicContact NZ-OD2 2.87Å; K42-D82 PolarHBondContact NZ-OD2 3.12Å
43	S	81.9	Confident	63.8	Low	11 Å²	11	78.5 Å²	78.5	8%	0.077	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	159.6	-175.1	55.3	0	0	0	0	111.8	P67 M83 A84	S43-P67 VanDerWaalsContact CA-O 3.32Å; S43-P67 WeakPolarHBondContact CA-O 3.4Å; S43-M83 WeakPolarHBondContact O-CA 3.35Å; S43-M83 WeakPolarHBondContact OG-CB 3.47Å; S43-M83 WeakPolarHBondContact OG-CE 3.43Å; S43-A84 PolarHBondContact O-N 3.02Å
44	F	84.4	Confident	65.8	Low	0 Å²	0	77.4 Å²	77.4	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.4	169.3	-69.8	-83.5	0	0	0	110.7	L41 L60 V64 L66 P67 V68 C69 A84 I86 Y106 L121	L41-F44 HydrophobicContact CD2-CD1 4.06Å; L41-F44 HydrophobicContact CD2-CD2 4.23Å; L41-F44 HydrophobicContact CD2-CE1 3.4Å; L41-F44 VanDerWaalsContact CD2-CE1 3.4Å; L41-F44 HydrophobicContact CD2-CE2 3.59Å; L41-F44 HydrophobicContact CD2-CG 4.44Å; L41-F44 HydrophobicContact CD2-CZ 3.13Å; F44-L60 HydrophobicContact CD2-CD2 4.02Å; F44-L60 HydrophobicContact CE2-CD2 4.04Å; F44-L60 HydrophobicContact CG-CD2 4.26Å; F44-L60 HydrophobicContact CZ-CD2 4.29Å; F44-V64 HydrophobicContact CE2-CB 4.36Å; F44-V64 HydrophobicContact CE2-CG1 3.7Å; F44-V64 HydrophobicContact CZ-CG1 4.18Å; F44-L66 HydrophobicContact CD2-CB 4.11Å; F44-L66 HydrophobicContact CD2-CD1 4.4Å; F44-L66 HydrophobicContact CE2-CB 4.15Å; F44-L66 HydrophobicContact CE2-CD1 3.8Å; F44-P67 PolarHBondContact N-O 2.93Å; F44-V68 CarbonylContact O-C 3.58Å; F44-V68 WeakPolarHBondContact O-CA 3.2Å; F44-C69 PolarHBondContact O-N 2.98Å; F44-A84 CarbonylContact C-O 3.45Å; F44-A84 VanDerWaalsContact CA-O 3.25Å; F44-A84 WeakPolarHBondContact CA-O 3.32Å; F44-A84 HydrophobicContact CD1-CB 3.87Å; F44-A84 HydrophobicContact CE1-CB 3.99Å; F44-I86 HydrophobicContact CB-CD1 4.22Å; F44-I86 HydrophobicContact CD1-CD1 3.73Å; F44-I86 HydrophobicContact CD1-CG1 4.08Å; F44-I86 HydrophobicContact CE1-CD1 4.39Å; F44-I86 HydrophobicContact CG-CD1 4.17Å; F44-Y106 AromaticContact CE1-CD2 3.96Å; F44-Y106 HydrophobicContact CE1-CD2 3.96Å; F44-Y106 HydrophobicContact CE1-CE2 4.12Å; F44-L121 HydrophobicContact CE1-CD1 4.28Å; F44-L121 HydrophobicContact CZ-CD1 3.63Å
45	C	86.5	Confident	68.4	Low	0 Å²	0	72.6 Å²	72.6	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.6	168.3	175.3	0	0	0	0	110.5	C69 Y77 M83 A84 F85 I86	C45-C69 CarbonylContact C-O 3.6Å; C45-C69 WeakPolarHBondContact CA-O 3.5Å; C45-C69 HydrophobicContact CB-CB 4.48Å; C45-Y77 HydrophobicContact CB-CD2 4.42Å; C45-M83 HydrophobicContact CB-CE 4.39Å; C45-M83 HydrophobicContact CB-CG 4.12Å; C45-M83 HydrophobicContact CB-SD 3.39Å; C45-M83 WeakPolarHBondContact CB-SD 3.38Å; C45-A84 PolarHBondContact N-O 3.36Å; C45-F85 HydrophobicContact CB-CD1 3.79Å; C45-F85 HydrophobicContact CB-CE1 4Å; C45-F85 CarbonylContact O-C 3.43Å; C45-F85 WeakPolarHBondContact O-CA 3.4Å; C45-I86 PolarHBondContact O-N 2.99Å
46	L	86.6	Confident	71	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	119.6	170	-62.1	177.9	0	0	0	109	A50 L56 K57 L60 V68 C69 S71 I86	L46-A50 HydrophobicContact CB-CB 4.43Å; L46-A50 HydrophobicContact CD2-CB 4.37Å; L46-L56 HydrophobicContact CD2-CD2 3.65Å; L46-L56 HydrophobicContact CD2-CG 4.19Å; L46-K57 HydrophobicContact CD1-CD 4.18Å; L46-K57 HydrophobicContact CD1-CG 3.42Å; L46-K57 VanDerWaalsContact CD1-CG 3.42Å; L46-L60 HydrophobicContact CD2-CD1 3.96Å; L46-V68 HydrophobicContact CD1-CG1 3.79Å; L46-V68 HydrophobicContact CG-CG1 3.76Å; L46-C69 PolarHBondContact N-O 3.39Å; L46-S71 PolarHBondContact O-N 3.04Å; L46-I86 HydrophobicContact CD2-CB 3.93Å; L46-I86 HydrophobicContact CD2-CD1 3.91Å; L46-I86 HydrophobicContact CD2-CG1 4.43Å; L46-I86 HydrophobicContact CD2-CG2 4.31Å
47	V	85.9	Confident	73.4	Confident	5 Å²	5	61 Å²	61	3%	0.03	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135	-176.3	-179.2	0	0	0	0	111.3	N49 A50 S71 F85 I86 L87 L98	V47-N49 PolarHBondContact O-N 2.75Å; V47-A50 WeakPolarHBondContact O-CB 3.37Å; V47-A50 PolarHBondContact O-N 3.06Å; V47-S71 WeakPolarHBondContact CA-O 3.14Å; V47-F85 HydrophobicContact CG2-CB 4.3Å; V47-F85 HydrophobicContact CG2-CD1 3.76Å; V47-I86 PolarHBondContact N-O 3.42Å; V47-L87 HydrophobicContact CB-CD1 4.26Å; V47-L87 HydrophobicContact CB-CG 4.07Å; V47-L87 HydrophobicContact CG1-CG 4.39Å; V47-L87 HydrophobicContact CG2-CD1 4.43Å; V47-L98 HydrophobicContact CG2-CD1 4.35Å
48	G	84.7	Confident	75.8	Confident	21 Å²	21	62.3 Å²	62.3	22%	0.216	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	59.3	-131.4	175.2	0	0	0	0	0	112.2	A50 R51 S71 E72	G48-A50 PolarHBondContact O-N 3.05Å; G48-A50 VanDerWaalsContact O-N 3.1Å; G48-R51 WeakPolarHBondContact O-CB 3.44Å; G48-R51 WeakPolarHBondContact O-CD 3.46Å; G48-R51 WeakPolarHBondContact O-CG 3.33Å; G48-R51 PolarHBondContact O-N 2.8Å; G48-R51 VanDerWaalsContact O-N 3.11Å; G48-S71 PolarHBondContact N-O 3.29Å; G48-E72 WeakPolarHBondContact CA-O 3.43Å; G48-E72 PolarHBondContact N-O 2.57Å
49	N	82.2	Confident	78.2	Confident	118 Å²	118	55.6 Å²	55.6	63%	0.631	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-63.3	-18	-176.4	-71.2	-17.2	0	0	0	114.6	V47 R51 F52 N88	V47-N49 PolarHBondContact O-N 2.75Å; N49-R51 PolarHBondContact O-N 3.14Å; N49-F52 PolarHBondContact O-N 3.47Å; N49-F52 VanDerWaalsContact O-N 3.16Å; N49-N88 PolarHBondContact O-ND2 3.48Å
50	A	79.4	Confident	79.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-61.2	-25.8	175.7	0	0	0	0	0	111.7	L46 V47 G48 F52 T53 N88	L46-A50 HydrophobicContact CB-CB 4.43Å; L46-A50 HydrophobicContact CD2-CB 4.37Å; V47-A50 WeakPolarHBondContact O-CB 3.37Å; V47-A50 PolarHBondContact O-N 3.06Å; G48-A50 PolarHBondContact O-N 3.05Å; G48-A50 VanDerWaalsContact O-N 3.1Å; A50-F52 PolarHBondContact O-N 3.37Å; A50-T53 PolarHBondContact O-N 3.48Å; A50-N88 WeakPolarHBondContact CA-OD1 3.19Å; A50-N88 WeakPolarHBondContact CB-OD1 3.39Å; A50-N88 PolarHBondContact N-ND2 3.26Å
51	R	77.3	Confident	80.3	Confident	74 Å²	74	52 Å²	52	28%	0.279	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-62.6	-24.1	177	83.3	-170.2	-120.2	-172.8	-1.5	114	G48 N49 K57 E72	G48-R51 WeakPolarHBondContact O-CB 3.44Å; G48-R51 WeakPolarHBondContact O-CD 3.46Å; G48-R51 WeakPolarHBondContact O-CG 3.33Å; G48-R51 PolarHBondContact O-N 2.8Å; G48-R51 VanDerWaalsContact O-N 3.11Å; N49-R51 PolarHBondContact O-N 3.14Å; R51-K57 WeakPolarHBondContact O-CE 3.34Å; R51-K57 PolarHBondContact O-NZ 2.99Å; R51-E72 IonicContact CZ-OE1 3.83Å; R51-E72 IonicContact NH1-OE1 2.72Å; R51-E72 PolarHBondContact NH1-OE1 3.26Å
52	F	77.7	Confident	80.3	Confident	135 Å²	135	59.1 Å²	59.1	59%	0.592	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-94.6	0.2	-177.1	-57.3	-66.7	0	0	0	113.3	N49 A50 E54	N49-F52 PolarHBondContact O-N 3.47Å; N49-F52 VanDerWaalsContact O-N 3.16Å; A50-F52 PolarHBondContact O-N 3.37Å; F52-E54 PolarHBondContact O-N 3.05Å
53	T	78.2	Confident	80	Confident	39 Å²	39	58.4 Å²	58.4	24%	0.239	29%	0.286	C	S	.	.			trans	-89.5	90	-179.5	-53.7	0	0	0	0	109.4	A50 C55 L56 K57	A50-T53 PolarHBondContact O-N 3.48Å; T53-C55 VanDerWaalsContact C-N 3.31Å; T53-C55 VanDerWaalsContact CG2-SG 3.53Å; T53-C55 PolarHBondContact O-N 2.81Å; T53-L56 HydrophobicContact CG2-CB 3.83Å; T53-L56 WeakPolarHBondContact O-CB 3.33Å; T53-L56 PolarHBondContact O-N 2.93Å; T53-K57 PolarHBondContact O-N 3.27Å
54	E	73.3	Confident	79.5	Confident	156 Å²	156	60.1 Å²	60.1	73%	0.729	30%	0.295	S	S	*	.	H	α-helix	trans	-53.7	-44.9	-174.8	-70.6	-177.9	167.9	0	0	112.9	F52 L56 K57 E58	F52-E54 PolarHBondContact O-N 3.05Å; E54-L56 PolarHBondContact O-N 3.49Å; E54-K57 PolarHBondContact O-N 3.25Å; E54-E58 PolarHBondContact O-N 3.03Å
55	C	80.8	Confident	78.9	Confident	63 Å²	63	63 Å²	63	43%	0.426	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-29	179.7	61.3	0	0	0	0	113.4	T53 V59	T53-C55 VanDerWaalsContact C-N 3.31Å; T53-C55 VanDerWaalsContact CG2-SG 3.53Å; T53-C55 PolarHBondContact O-N 2.81Å; C55-V59 WeakPolarHBondContact O-CB 3.2Å; C55-V59 WeakPolarHBondContact O-CG2 3.35Å; C55-V59 PolarHBondContact O-N 3.46Å; C55-V59 VanDerWaalsContact O-N 3.07Å
56	L	81.2	Confident	78.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-73	-40.3	179.2	-176	64.9	0	0	0	111.2	L46 T53 E54 V59 L60 I86 P108 I111 F112	L46-L56 HydrophobicContact CD2-CD2 3.65Å; L46-L56 HydrophobicContact CD2-CG 4.19Å; T53-L56 HydrophobicContact CG2-CB 3.83Å; T53-L56 WeakPolarHBondContact O-CB 3.33Å; T53-L56 PolarHBondContact O-N 2.93Å; E54-L56 PolarHBondContact O-N 3.49Å; L56-V59 PolarHBondContact O-N 3.32Å; L56-L60 HydrophobicContact CD1-CD1 4.33Å; L56-L60 HydrophobicContact CG-CD1 4.06Å; L56-L60 WeakPolarHBondContact O-CB 3.36Å; L56-L60 WeakPolarHBondContact O-CD1 3.47Å; L56-L60 VanDerWaalsContact O-CG 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 3.45Å; L56-I86 HydrophobicContact CD2-CG2 3.95Å; L56-P108 HydrophobicContact CD1-CB 4.37Å; L56-P108 HydrophobicContact CD2-CB 4.31Å; L56-P108 HydrophobicContact CD2-CG 4.44Å; L56-I111 HydrophobicContact CD1-CB 4.1Å; L56-I111 HydrophobicContact CD1-CG1 4.27Å; L56-I111 HydrophobicContact CD1-CG2 4.11Å; L56-F112 HydrophobicContact CB-CZ 4.36Å; L56-F112 HydrophobicContact CD1-CE2 4.35Å; L56-F112 HydrophobicContact CD1-CZ 4.22Å
57	K	79.6	Confident	78.2	Confident	48 Å²	48	69.1 Å²	69.1	21%	0.209	36%	0.362	C	S	.	.	H	α-helix	trans	-61.4	-48.4	175.4	-72.5	-179.1	-176	-178.9	0	111.1	L46 R51 T53 E54 V59 L60 Q61 E70	L46-K57 HydrophobicContact CD1-CD 4.18Å; L46-K57 HydrophobicContact CD1-CG 3.42Å; L46-K57 VanDerWaalsContact CD1-CG 3.42Å; R51-K57 WeakPolarHBondContact O-CE 3.34Å; R51-K57 PolarHBondContact O-NZ 2.99Å; T53-K57 PolarHBondContact O-N 3.27Å; E54-K57 PolarHBondContact O-N 3.25Å; K57-V59 VanDerWaalsContact C-N 3.33Å; K57-V59 PolarHBondContact O-N 3.47Å; K57-L60 PolarHBondContact O-N 3.14Å; K57-Q61 WeakPolarHBondContact O-CB 3.48Å; K57-Q61 WeakPolarHBondContact O-CG 3.45Å; K57-Q61 PolarHBondContact O-N 3.02Å; K57-E70 WeakPolarHBondContact CE-OE1 3.33Å; K57-E70 IonicContact NZ-OE1 3.78Å; K57-E70 PolarHBondContact NZ-OE1 2.89Å; K57-E70 IonicContact NZ-OE2 3.76Å; K57-E70 PolarHBondContact NZ-OE2 2.94Å
58	E	78.6	Confident	78	Confident	127 Å²	127	70.4 Å²	70.4	59%	0.593	37%	0.37	S	S	*	.	H	α-helix	trans	-60.1	-43.9	178.4	-68.7	-179	174.7	0	0	111.8	E54 K62	E54-E58 PolarHBondContact O-N 3.03Å; E58-K62 WeakPolarHBondContact O-CB 3.17Å; E58-K62 PolarHBondContact O-N 3Å
59	V	80.1	Confident	77.9	Confident	22 Å²	22	71 Å²	71	13%	0.133	37%	0.37	C	S	.	.	H	α-helix	trans	-65.3	-44.6	-179.4	167.9	0	0	0	0	111.4	C55 L56 K57 H63 I111 F112 V115	C55-V59 WeakPolarHBondContact O-CB 3.2Å; C55-V59 WeakPolarHBondContact O-CG2 3.35Å; C55-V59 PolarHBondContact O-N 3.46Å; C55-V59 VanDerWaalsContact O-N 3.07Å; L56-V59 PolarHBondContact O-N 3.32Å; K57-V59 VanDerWaalsContact C-N 3.33Å; K57-V59 PolarHBondContact O-N 3.47Å; V59-H63 WeakPolarHBondContact O-CB 3.47Å; V59-H63 PolarHBondContact O-N 3.4Å; V59-H63 PolarHBondContact O-ND1 3.21Å; V59-I111 HydrophobicContact CG1-CG2 4.01Å; V59-F112 HydrophobicContact CB-CE1 4.45Å; V59-F112 HydrophobicContact CG2-CD1 4.31Å; V59-F112 HydrophobicContact CG2-CE1 3.98Å; V59-V115 HydrophobicContact CG1-CB 4.3Å; V59-V115 HydrophobicContact CG1-CG1 4.45Å; V59-V115 HydrophobicContact CG1-CG2 3.4Å
60	L	80.1	Confident	78	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.361	C	S	.	.	I	π-helix	trans	-63.9	-46.7	178.7	-71.8	166.3	0	0	0	112	F44 L46 L56 K57 V64 G65 V68 I86 I111	F44-L60 HydrophobicContact CD2-CD2 4.02Å; F44-L60 HydrophobicContact CE2-CD2 4.04Å; F44-L60 HydrophobicContact CG-CD2 4.26Å; F44-L60 HydrophobicContact CZ-CD2 4.29Å; L46-L60 HydrophobicContact CD2-CD1 3.96Å; L56-L60 HydrophobicContact CD1-CD1 4.33Å; L56-L60 HydrophobicContact CG-CD1 4.06Å; L56-L60 WeakPolarHBondContact O-CB 3.36Å; L56-L60 WeakPolarHBondContact O-CD1 3.47Å; L56-L60 VanDerWaalsContact O-CG 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 3.45Å; K57-L60 PolarHBondContact O-N 3.14Å; L60-V64 HydrophobicContact CD2-CG2 4.19Å; L60-V64 WeakPolarHBondContact O-CB 3.43Å; L60-V64 PolarHBondContact O-N 3.06Å; L60-V64 VanDerWaalsContact O-N 3.15Å; L60-G65 PolarHBondContact O-N 3.48Å; L60-G65 VanDerWaalsContact O-N 3.14Å; L60-V68 HydrophobicContact CB-CG2 3.77Å; L60-V68 HydrophobicContact CD1-CG1 4.47Å; L60-V68 HydrophobicContact CD1-CG2 4.29Å; L60-I86 HydrophobicContact CD1-CD1 3.46Å; L60-I86 VanDerWaalsContact CD1-CD1 3.46Å; L60-I86 HydrophobicContact CD2-CD1 3.98Å; L60-I86 HydrophobicContact CG-CD1 4.34Å; L60-I111 HydrophobicContact CD2-CD1 4.21Å; L60-I111 HydrophobicContact CD2-CG1 4.38Å; L60-I111 HydrophobicContact CD2-CG2 3.69Å; L60-I111 HydrophobicContact CG-CG2 4.2Å
61	Q	78.1	Confident	78.3	Confident	126 Å²	126	70.1 Å²	70.1	59%	0.589	36%	0.363	S	S	*	.	I	π-helix	trans	-66	-42.5	179.9	-71.6	177.2	-7.1	0	0	112	K57 V68	K57-Q61 WeakPolarHBondContact O-CB 3.48Å; K57-Q61 WeakPolarHBondContact O-CG 3.45Å; K57-Q61 PolarHBondContact O-N 3.02Å; Q61-V68 HydrophobicContact CG-CG2 4.2Å
62	K	74.2	Confident	78.6	Confident	173 Å²	173	72.7 Å²	72.7	75%	0.752	38%	0.378	S	S	*	.	I	π-helix	trans	-81.7	-36.4	-173.5	-172.1	175.6	-179.8	178.3	0	114.1	E58	E58-K62 WeakPolarHBondContact O-CB 3.17Å; E58-K62 PolarHBondContact O-N 3Å
63	H	69.4	Low	78.8	Confident	109 Å²	109	73.3 Å²	73.3	51%	0.505	38%	0.377	S	S	.	.	I	π-helix	trans	-107.9	-29	-170.4	-60.8	83.8	0	0	0	113.7	V59 V115	V59-H63 WeakPolarHBondContact O-CB 3.47Å; V59-H63 PolarHBondContact O-N 3.4Å; V59-H63 PolarHBondContact O-ND1 3.21Å; H63-V115 HydrophobicContact CB-CG1 4.33Å; H63-V115 HydrophobicContact CB-CG2 3.94Å
64	V	72	Confident	78.8	Confident	46 Å²	46	71.4 Å²	71.4	28%	0.279	37%	0.365	S	S	.	.	I	π-helix	trans	-98	-30.1	178.9	-166.5	0	0	0	0	111.3	F44 L60 L66 L121	F44-V64 HydrophobicContact CE2-CB 4.36Å; F44-V64 HydrophobicContact CE2-CG1 3.7Å; F44-V64 HydrophobicContact CZ-CG1 4.18Å; L60-V64 HydrophobicContact CD2-CG2 4.19Å; L60-V64 WeakPolarHBondContact O-CB 3.43Å; L60-V64 PolarHBondContact O-N 3.06Å; L60-V64 VanDerWaalsContact O-N 3.15Å; V64-L66 VanDerWaalsContact C-N 3.27Å; V64-L66 HydrophobicContact CG1-CD1 4.1Å; V64-L66 HydrophobicContact CG1-CG 4.26Å; V64-L66 PolarHBondContact O-N 2.95Å; V64-L121 HydrophobicContact CG1-CD1 4.31Å; V64-L121 HydrophobicContact CG2-CD1 4.22Å
65	G	71.9	Confident	79.2	Confident	60 Å²	60	66.4 Å²	66.4	62%	0.619	35%	0.345	S	S	*	.			trans	72.7	14	172.9	0	0	0	0	0	114.9	L60	L60-G65 PolarHBondContact O-N 3.48Å; L60-G65 VanDerWaalsContact O-N 3.14Å
66	L	76.9	Confident	79.1	Confident	47 Å²	47	69 Å²	69	25%	0.246	36%	0.355	C	S	.	.			trans	-100.2	147.3	177.5	-66.3	176.2	0	0	0	111.2	L41 F44 V64	L41-L66 HydrophobicContact CB-CD1 4.14Å; L41-L66 HydrophobicContact CD2-CD1 3.83Å; L41-L66 HydrophobicContact CG-CD1 4.44Å; L41-L66 WeakPolarHBondContact O-CD1 3.3Å; L41-L66 WeakPolarHBondContact O-CD2 3.46Å; F44-L66 HydrophobicContact CD2-CB 4.11Å; F44-L66 HydrophobicContact CD2-CD1 4.4Å; F44-L66 HydrophobicContact CE2-CB 4.15Å; F44-L66 HydrophobicContact CE2-CD1 3.8Å; V64-L66 VanDerWaalsContact C-N 3.27Å; V64-L66 HydrophobicContact CG1-CD1 4.1Å; V64-L66 HydrophobicContact CG1-CG 4.26Å; V64-L66 PolarHBondContact O-N 2.95Å
67	P	79.9	Confident	79.2	Confident	82 Å²	82	72 Å²	72	53%	0.532	37%	0.367	S	S	.	.			trans	-59	138.5	176.2	22.8	-33.4	0	0	0	111.8	K42 S43 F44	K42-P67 WeakPolarHBondContact O-CD 3.39Å; K42-P67 WeakPolarHBondContact O-CG 3.11Å; S43-P67 VanDerWaalsContact CA-O 3.32Å; S43-P67 WeakPolarHBondContact CA-O 3.4Å; F44-P67 PolarHBondContact N-O 2.93Å
68	V	81.5	Confident	79.1	Confident	32 Å²	32	70.6 Å²	70.6	19%	0.194	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.6	-178.8	-175.8	0	0	0	0	109.1	F44 L46 L60 Q61	F44-V68 CarbonylContact O-C 3.58Å; F44-V68 WeakPolarHBondContact O-CA 3.2Å; L46-V68 HydrophobicContact CD1-CG1 3.79Å; L46-V68 HydrophobicContact CG-CG1 3.76Å; L60-V68 HydrophobicContact CB-CG2 3.77Å; L60-V68 HydrophobicContact CD1-CG1 4.47Å; L60-V68 HydrophobicContact CD1-CG2 4.29Å; Q61-V68 HydrophobicContact CG-CG2 4.2Å
69	C	84.1	Confident	79.1	Confident	34 Å²	34	72.3 Å²	72.3	23%	0.23	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	159.6	172.8	-59.2	0	0	0	0	110.4	F44 C45 L46 Y77 M83	F44-C69 PolarHBondContact O-N 2.98Å; C45-C69 CarbonylContact C-O 3.6Å; C45-C69 WeakPolarHBondContact CA-O 3.5Å; C45-C69 HydrophobicContact CB-CB 4.48Å; L46-C69 PolarHBondContact N-O 3.39Å; C69-Y77 HydrophobicContact CB-CE1 4.31Å; C69-Y77 HydrophobicContact CB-CE2 4.03Å; C69-M83 HydrophobicContact CB-CE 4.11Å
70	E	84.7	Confident	79.2	Confident	93 Å²	93	75.6 Å²	75.6	44%	0.435	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.3	175.2	-62.9	178	-142.1	0	0	108.9	K57	K57-E70 WeakPolarHBondContact CE-OE1 3.33Å; K57-E70 IonicContact NZ-OE1 3.78Å; K57-E70 PolarHBondContact NZ-OE1 2.89Å; K57-E70 IonicContact NZ-OE2 3.76Å; K57-E70 PolarHBondContact NZ-OE2 2.94Å
71	S	85.9	Confident	78.9	Confident	6 Å²	6	83.3 Å²	83.3	4%	0.042	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.1	171.9	174.3	0	0	0	0	109.5	L46 V47 G48 R73 G74 D76	L46-S71 PolarHBondContact O-N 3.04Å; V47-S71 WeakPolarHBondContact CA-O 3.14Å; G48-S71 PolarHBondContact N-O 3.29Å; S71-R73 VanDerWaalsContact C-N 3.32Å; S71-R73 PolarHBondContact OG-N 2.94Å; S71-G74 WeakPolarHBondContact OG-CA 3.41Å; S71-G74 PolarHBondContact OG-N 2.68Å; S71-D76 PolarHBondContact OG-OD2 3.12Å
72	E	83.3	Confident	79.1	Confident	129 Å²	129	79.6 Å²	79.6	60%	0.603	40%	0.401	S	S	*	.	S	Bend	trans	-68.6	-35.5	177.2	-55.9	-155.2	142.4	0	0	111.8	G48 R51	G48-E72 WeakPolarHBondContact CA-O 3.43Å; G48-E72 PolarHBondContact N-O 2.57Å; R51-E72 IonicContact CZ-OE1 3.83Å; R51-E72 IonicContact NH1-OE1 2.72Å; R51-E72 PolarHBondContact NH1-OE1 3.26Å
73	R	80.6	Confident	79.6	Confident	147 Å²	147	71.4 Å²	71.4	56%	0.555	37%	0.365	S	S	*	.	S	Bend	trans	-127.9	-9.9	-172.7	-57.4	-173.4	67.2	-170.4	-1.3	114.3	S71 V75 D94	S71-R73 VanDerWaalsContact C-N 3.32Å; S71-R73 PolarHBondContact OG-N 2.94Å; R73-V75 HydrophobicContact CB-CG2 3.88Å; R73-V75 PolarHBondContact O-N 3.44Å; R73-D94 IonicContact NE-OD1 2.81Å; R73-D94 PolarHBondContact NE-OD1 3.06Å; R73-D94 IonicContact NH2-OD1 3.34Å
74	G	79.6	Confident	80.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	76.7	-6.9	-176.2	0	0	0	0	0	114.8	S71 D76 Y77 F85	S71-G74 WeakPolarHBondContact OG-CA 3.41Å; S71-G74 PolarHBondContact OG-N 2.68Å; G74-D76 VanDerWaalsContact C-N 3.25Å; G74-D76 PolarHBondContact O-N 2.91Å; G74-Y77 PolarHBondContact O-N 2.92Å; G74-F85 WeakPolarHBondContact O-CE1 3.32Å
75	V	79.9	Confident	81.1	Confident	51 Å²	51	64 Å²	64	31%	0.309	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-63.8	-33.2	-177.2	-172.4	0	0	0	0	111.5	R73 Y77 I78 Y97	R73-V75 HydrophobicContact CB-CG2 3.88Å; R73-V75 PolarHBondContact O-N 3.44Å; V75-Y77 PolarHBondContact O-N 3.19Å; V75-I78 WeakPolarHBondContact O-CB 3.36Å; V75-I78 VanDerWaalsContact O-CG2 3.26Å; V75-I78 WeakPolarHBondContact O-CG2 3.42Å; V75-I78 PolarHBondContact O-N 3.44Å; V75-Y97 HydrophobicContact CB-CE1 4.36Å; V75-Y97 HydrophobicContact CG1-CE1 4.05Å; V75-Y97 HydrophobicContact CG2-CD1 4.13Å; V75-Y97 HydrophobicContact CG2-CE1 3.88Å
76	D	80.6	Confident	81.9	Confident	118 Å²	118	61.2 Å²	61.2	63%	0.631	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-61	-30.6	-175.8	-46.3	-49.6	0	0	0	112.8	S71 G74	S71-D76 PolarHBondContact OG-OD2 3.12Å; G74-D76 VanDerWaalsContact C-N 3.25Å; G74-D76 PolarHBondContact O-N 2.91Å
77	Y	81.7	Confident	82.5	Confident	63 Å²	63	59.5 Å²	59.5	25%	0.247	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-108.5	12.1	-176.1	-57.3	-78.4	0	0	0	113.2	C45 C69 G74 V75 H79 E80 M83	C45-Y77 HydrophobicContact CB-CD2 4.42Å; C69-Y77 HydrophobicContact CB-CE1 4.31Å; C69-Y77 HydrophobicContact CB-CE2 4.03Å; G74-Y77 PolarHBondContact O-N 2.92Å; V75-Y77 PolarHBondContact O-N 3.19Å; Y77-H79 PolarHBondContact O-N 3.07Å; Y77-H79 VanDerWaalsContact O-N 3.09Å; Y77-E80 WeakPolarHBondContact O-CB 3.37Å; Y77-E80 PolarHBondContact O-N 2.99Å; Y77-M83 WeakPolarHBondContact CB-SD 3.32Å; Y77-M83 HydrophobicContact CD1-CE 3.78Å; Y77-M83 HydrophobicContact CD1-SD 4.13Å; Y77-M83 HydrophobicContact CD2-SD 4.33Å; Y77-M83 HydrophobicContact CE1-CE 4.36Å; Y77-M83 HydrophobicContact CG-CE 3.96Å; Y77-M83 HydrophobicContact CG-SD 3.7Å
78	I	78.3	Confident	82.8	Confident	17 Å²	17	58 Å²	58	9%	0.087	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.3	-177.5	-163.3	160.4	0	0	0	112.8	V75 E80 Y97 A101 R103	V75-I78 WeakPolarHBondContact O-CB 3.36Å; V75-I78 VanDerWaalsContact O-CG2 3.26Å; V75-I78 WeakPolarHBondContact O-CG2 3.42Å; V75-I78 PolarHBondContact O-N 3.44Å; I78-E80 VanDerWaalsContact C-N 3.31Å; I78-Y97 HydrophobicContact CD1-CD1 4.07Å; I78-Y97 HydrophobicContact CD1-CE1 3.25Å; I78-A101 HydrophobicContact CD1-CB 3.59Å; I78-A101 HydrophobicContact CG1-CB 4.15Å; I78-R103 PolarHBondContact O-NE 3.44Å; I78-R103 PolarHBondContact O-NH1 2.98Å; I78-R103 PolarHBondContact O-NH2 3.19Å
79	H	79	Confident	82.9	Confident	164 Å²	164	59.2 Å²	59.2	76%	0.759	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-21.4	178.2	-62.4	-67.2	0	0	0	112.6	Y77 K81	Y77-H79 PolarHBondContact O-N 3.07Å; Y77-H79 VanDerWaalsContact O-N 3.09Å; H79-K81 PolarHBondContact O-N 3.35Å
80	E	80.8	Confident	83.1	Confident	90 Å²	90	58.3 Å²	58.3	42%	0.421	27%	0.274	S	S	.	.			trans	-79.5	106.7	-179.4	-60.7	-172	-167.7	0	0	110.5	Y77 I78 D82 M83 R103	Y77-E80 WeakPolarHBondContact O-CB 3.37Å; Y77-E80 PolarHBondContact O-N 2.99Å; I78-E80 VanDerWaalsContact C-N 3.31Å; E80-D82 VanDerWaalsContact C-N 3.34Å; E80-M83 HydrophobicContact CB-CB 4Å; E80-M83 WeakPolarHBondContact OE2-CE 3.11Å; E80-R103 PolarHBondContact O-NH1 3.46Å
81	K	75.6	Confident	83.2	Confident	162 Å²	162	57.3 Å²	57.3	70%	0.704	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.4	-179.6	-69	-178.1	179.6	179.5	0	113.2	H79 M83	H79-K81 PolarHBondContact O-N 3.35Å; K81-M83 VanDerWaalsContact C-N 3.28Å; K81-M83 PolarHBondContact O-N 3.01Å
82	D	81.2	Confident	83.1	Confident	49 Å²	49	58.8 Å²	58.8	26%	0.262	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	4	-175.8	-57.8	-15	0	0	0	112.7	K42 E80	K42-D82 HydrophobicContact CB-CB 4.02Å; K42-D82 HydrophobicContact CD-CB 3.96Å; K42-D82 WeakPolarHBondContact CD-OD2 3.5Å; K42-D82 WeakPolarHBondContact CE-OD2 3.33Å; K42-D82 HydrophobicContact CG-CB 4.01Å; K42-D82 PolarHBondContact N-O 3.45Å; K42-D82 IonicContact NZ-OD2 2.87Å; K42-D82 PolarHBondContact NZ-OD2 3.12Å; E80-D82 VanDerWaalsContact C-N 3.34Å
83	M	84.1	Confident	83.3	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	139	-179.6	-175.1	177.1	-84.9	0	0	111.5	S43 C45 C69 Y77 E80 K81 F85	S43-M83 WeakPolarHBondContact O-CA 3.35Å; S43-M83 WeakPolarHBondContact OG-CB 3.47Å; S43-M83 WeakPolarHBondContact OG-CE 3.43Å; C45-M83 HydrophobicContact CB-CE 4.39Å; C45-M83 HydrophobicContact CB-CG 4.12Å; C45-M83 HydrophobicContact CB-SD 3.39Å; C45-M83 WeakPolarHBondContact CB-SD 3.38Å; C69-M83 HydrophobicContact CB-CE 4.11Å; Y77-M83 WeakPolarHBondContact CB-SD 3.32Å; Y77-M83 HydrophobicContact CD1-CE 3.78Å; Y77-M83 HydrophobicContact CD1-SD 4.13Å; Y77-M83 HydrophobicContact CD2-SD 4.33Å; Y77-M83 HydrophobicContact CE1-CE 4.36Å; Y77-M83 HydrophobicContact CG-CE 3.96Å; Y77-M83 HydrophobicContact CG-SD 3.7Å; E80-M83 HydrophobicContact CB-CB 4Å; E80-M83 WeakPolarHBondContact OE2-CE 3.11Å; K81-M83 VanDerWaalsContact C-N 3.28Å; K81-M83 PolarHBondContact O-N 3.01Å; M83-F85 HydrophobicContact SD-CE1 4.31Å; M83-F85 HydrophobicContact SD-CZ 4.29Å
84	A	86.4	Confident	83.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.6	168.1	0	0	0	0	0	112.3	L41 S43 F44 C45 R104 Y106	L41-A84 HydrophobicContact CD1-CB 3.58Å; L41-A84 HydrophobicContact CD2-CB 4.1Å; L41-A84 HydrophobicContact CG-CB 4.25Å; S43-A84 PolarHBondContact O-N 3.02Å; F44-A84 CarbonylContact C-O 3.45Å; F44-A84 VanDerWaalsContact CA-O 3.25Å; F44-A84 WeakPolarHBondContact CA-O 3.32Å; F44-A84 HydrophobicContact CD1-CB 3.87Å; F44-A84 HydrophobicContact CE1-CB 3.99Å; C45-A84 PolarHBondContact N-O 3.36Å; A84-R104 WeakPolarHBondContact CA-O 3.48Å; A84-R104 HydrophobicContact CB-CB 4.02Å; A84-Y106 HydrophobicContact CB-CD2 3.71Å; A84-Y106 HydrophobicContact CB-CE2 3.55Å
85	F	88.1	Confident	84	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	136.1	-178.7	-61.6	-91.5	0	0	0	110.1	C45 V47 G74 M83 L87 L98 R103 R104 I105 Y106	C45-F85 HydrophobicContact CB-CD1 3.79Å; C45-F85 HydrophobicContact CB-CE1 4Å; C45-F85 CarbonylContact O-C 3.43Å; C45-F85 WeakPolarHBondContact O-CA 3.4Å; V47-F85 HydrophobicContact CG2-CB 4.3Å; V47-F85 HydrophobicContact CG2-CD1 3.76Å; G74-F85 WeakPolarHBondContact O-CE1 3.32Å; M83-F85 HydrophobicContact SD-CE1 4.31Å; M83-F85 HydrophobicContact SD-CZ 4.29Å; F85-L87 HydrophobicContact CB-CD1 3.96Å; F85-L98 HydrophobicContact CB-CD1 4.01Å; F85-L98 HydrophobicContact CD1-CD1 4.07Å; F85-L98 HydrophobicContact CD1-CD2 4.03Å; F85-L98 HydrophobicContact CD2-CD2 4.23Å; F85-L98 HydrophobicContact CE1-CD2 4.02Å; F85-L98 HydrophobicContact CE2-CD2 4.25Å; F85-L98 HydrophobicContact CG-CD1 4.01Å; F85-L98 HydrophobicContact CG-CD2 4.13Å; F85-L98 HydrophobicContact CZ-CD2 4.14Å; F85-R103 HydrophobicContact CD2-CB 3.76Å; F85-R103 HydrophobicContact CD2-CG 4.36Å; F85-R103 HydrophobicContact CE2-CB 3.76Å; F85-R103 HydrophobicContact CE2-CG 3.87Å; F85-R104 PolarHBondContact N-O 2.91Å; F85-I105 CarbonylContact O-C 3.56Å; F85-I105 VanDerWaalsContact O-CA 3.3Å; F85-I105 WeakPolarHBondContact O-CA 3.44Å; F85-Y106 PolarHBondContact O-N 3.04Å
86	I	88.5	Confident	84.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.8	176.3	-55	170.8	0	0	0	109.2	F44 C45 L46 V47 L56 L60 Y106 I111	F44-I86 HydrophobicContact CB-CD1 4.22Å; F44-I86 HydrophobicContact CD1-CD1 3.73Å; F44-I86 HydrophobicContact CD1-CG1 4.08Å; F44-I86 HydrophobicContact CE1-CD1 4.39Å; F44-I86 HydrophobicContact CG-CD1 4.17Å; C45-I86 PolarHBondContact O-N 2.99Å; L46-I86 HydrophobicContact CD2-CB 3.93Å; L46-I86 HydrophobicContact CD2-CD1 3.91Å; L46-I86 HydrophobicContact CD2-CG1 4.43Å; L46-I86 HydrophobicContact CD2-CG2 4.31Å; V47-I86 PolarHBondContact N-O 3.42Å; L56-I86 HydrophobicContact CD2-CG2 3.95Å; L60-I86 HydrophobicContact CD1-CD1 3.46Å; L60-I86 VanDerWaalsContact CD1-CD1 3.46Å; L60-I86 HydrophobicContact CD2-CD1 3.98Å; L60-I86 HydrophobicContact CG-CD1 4.34Å; I86-Y106 VanDerWaalsContact CA-O 3.31Å; I86-Y106 WeakPolarHBondContact CA-O 3.44Å; I86-I111 HydrophobicContact CD1-CD1 4.39Å; I86-I111 HydrophobicContact CD1-CG1 4.31Å
87	L	88.9	Confident	84.6	Confident	11 Å²	11	52.4 Å²	52.4	6%	0.058	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.3	-179.3	-75.6	89.1	0	0	0	110.2	V47 F85 D89 F95 L98 I105 Y106 P108	V47-L87 HydrophobicContact CB-CD1 4.26Å; V47-L87 HydrophobicContact CB-CG 4.07Å; V47-L87 HydrophobicContact CG1-CG 4.39Å; V47-L87 HydrophobicContact CG2-CD1 4.43Å; F85-L87 HydrophobicContact CB-CD1 3.96Å; L87-D89 PolarHBondContact O-N 2.92Å; L87-F95 HydrophobicContact CD2-CB 3.89Å; L87-L98 HydrophobicContact CD1-CD1 3.71Å; L87-L98 HydrophobicContact CD2-CD1 4.37Å; L87-I105 HydrophobicContact CD1-CG2 3.77Å; L87-Y106 PolarHBondContact N-O 3.33Å; L87-Y106 VanDerWaalsContact N-O 3.08Å; L87-P108 WeakPolarHBondContact O-CD 3.15Å
88	N	85.5	Confident	84.8	Confident	50 Å²	50	49.4 Å²	49.4	27%	0.267	26%	0.262	S	S	.	.	S	Bend	trans	-67.9	-23.1	178.9	-80.9	-4.2	0	0	0	113.6	N49 A50 P108 Y129	N49-N88 PolarHBondContact O-ND2 3.48Å; A50-N88 WeakPolarHBondContact CA-OD1 3.19Å; A50-N88 WeakPolarHBondContact CB-OD1 3.39Å; A50-N88 PolarHBondContact N-ND2 3.26Å; N88-P108 VanDerWaalsContact OD1-CG 3.25Å; N88-P108 WeakPolarHBondContact OD1-CG 3.43Å; N88-Y129 WeakPolarHBondContact O-CE2 3.32Å; N88-Y129 PolarHBondContact O-OH 3.19Å
89	D	84.5	Confident	85.2	Confident	58 Å²	58	52.7 Å²	52.7	31%	0.31	27%	0.274	S	S	.	.			trans	-143.6	145.9	174.6	-162.2	27.5	0	0	0	110.6	L87 S91 R207	L87-D89 PolarHBondContact O-N 2.92Å; D89-S91 PolarHBondContact O-N 3.41Å; D89-S91 WeakPolarHBondContact OD2-CB 3.23Å; D89-S91 PolarHBondContact OD2-OG 3.03Å; D89-R207 IonicContact OD1-CZ 3.8Å; D89-R207 IonicContact OD1-NE 2.94Å; D89-R207 IonicContact OD1-NH2 3.67Å; D89-R207 PolarHBondContact OD1-NH2 2.94Å
90	F	88.9	Confident	85.5	Confident	15 Å²	15	52.5 Å²	52.5	7%	0.066	27%	0.273	C	S	.	.	S	Bend	trans	-92.7	50.3	177.2	-72.2	6.1	0	0	0	109.9	F95 I105 P127 Y129 Y158 W204	F90-F95 HydrophobicContact CB-CD1 4.46Å; F90-F95 HydrophobicContact CB-CD2 4Å; F90-F95 HydrophobicContact CB-CE1 4.22Å; F90-F95 HydrophobicContact CB-CE2 3.73Å; F90-F95 HydrophobicContact CB-CG 4.36Å; F90-F95 HydrophobicContact CB-CZ 3.86Å; F90-F95 AromaticContact CD1-CD2 3.97Å; F90-F95 HydrophobicContact CD1-CD2 3.97Å; F90-F95 AromaticContact CD1-CE2 3.89Å; F90-F95 HydrophobicContact CD1-CE2 3.89Å; F90-F95 AromaticContact CD2-CE2 3.97Å; F90-F95 HydrophobicContact CD2-CE2 3.97Å; F90-F95 HydrophobicContact CD2-CZ 4.28Å; F90-F95 HydrophobicContact CG-CD2 4.02Å; F90-F95 AromaticContact CG-CE2 3.59Å; F90-F95 HydrophobicContact CG-CE2 3.59Å; F90-F95 HydrophobicContact CG-CZ 4.1Å; F90-I105 HydrophobicContact CD1-CG2 4.28Å; F90-I105 HydrophobicContact CE1-CG2 3.61Å; F90-I105 HydrophobicContact CZ-CG2 3.88Å; F90-P127 HydrophobicContact CD2-CB 4.15Å; F90-P127 HydrophobicContact CE2-CB 3.64Å; F90-P127 HydrophobicContact CZ-CB 4.18Å; F90-Y129 AromaticContact CD1-CD2 3.71Å; F90-Y129 HydrophobicContact CD1-CD2 3.71Å; F90-Y129 HydrophobicContact CD1-CE2 4.29Å; F90-Y129 HydrophobicContact CD2-CD2 4.19Å; F90-Y129 AromaticContact CE1-CD2 3.66Å; F90-Y129 HydrophobicContact CE1-CD2 3.66Å; F90-Y129 HydrophobicContact CE1-CE2 4.39Å; F90-Y129 HydrophobicContact CE2-CD2 4.17Å; F90-Y129 HydrophobicContact CE2-CG 4.48Å; F90-Y129 AromaticContact CG-CD2 3.97Å; F90-Y129 HydrophobicContact CG-CD2 3.97Å; F90-Y129 AromaticContact CZ-CD2 3.91Å; F90-Y129 HydrophobicContact CZ-CD2 3.91Å; F90-Y129 HydrophobicContact CZ-CG 4.42Å; F90-Y158 HydrophobicContact CB-CD2 4.25Å; F90-Y158 HydrophobicContact CB-CE2 4.19Å; F90-Y158 AromaticContact CD2-CD1 3.78Å; F90-Y158 HydrophobicContact CD2-CD1 3.78Å; F90-Y158 AromaticContact CD2-CD2 3.78Å; F90-Y158 HydrophobicContact CD2-CD2 3.78Å; F90-Y158 HydrophobicContact CD2-CE1 4.21Å; F90-Y158 HydrophobicContact CD2-CE2 4.2Å; F90-Y158 AromaticContact CD2-CG 3.57Å; F90-Y158 HydrophobicContact CD2-CG 3.57Å; F90-Y158 HydrophobicContact CE2-CD1 4.08Å; F90-Y158 HydrophobicContact CE2-CG 4.1Å; F90-W204 HydrophobicContact CB-CH2 4.32Å; F90-W204 HydrophobicContact CB-CZ2 4.44Å; F90-W204 HydrophobicContact CD2-CH2 4.28Å
91	S	85.7	Confident	85.7	Confident	72 Å²	72	49.9 Å²	49.9	50%	0.503	27%	0.267	S	S	.	.			trans	-143	158.6	179.1	80.9	0	0	0	0	109.9	D89	D89-S91 PolarHBondContact O-N 3.41Å; D89-S91 WeakPolarHBondContact OD2-CB 3.23Å; D89-S91 PolarHBondContact OD2-OG 3.03Å
92	G	85	Confident	86	Confident	37 Å²	37	45.2 Å²	45.2	38%	0.381	27%	0.265	S	S	.	.	S	Bend	trans	93.8	177.8	177.7	0	0	0	0	0	115.4	S96	G92-S96 WeakPolarHBondContact O-CB 3.21Å; G92-S96 PolarHBondContact O-N 3.22Å; G92-S96 VanDerWaalsContact O-N 3.13Å; G92-S96 PolarHBondContact O-OG 2.93Å
93	P	86.5	Confident	86.2	Confident	95 Å²	95	45 Å²	45	62%	0.617	26%	0.26	S	S	*	.	H	α-helix	trans	-69.1	-37.9	-171.6	26.8	-33.7	0	0	0	112.5	S96 Y97	P93-S96 PolarHBondContact O-N 3.44Å; P93-Y97 WeakPolarHBondContact O-CB 3.47Å; P93-Y97 PolarHBondContact O-N 3.47Å
94	D	86.4	Confident	86.4	Confident	43 Å²	43	47.2 Å²	47.2	23%	0.23	27%	0.268	C	S	.	.	H	α-helix	trans	-70.2	-42.7	-176.5	-53.9	-45.7	0	0	0	111.3	R73 S96 Y97 L98	R73-D94 IonicContact NE-OD1 2.81Å; R73-D94 PolarHBondContact NE-OD1 3.06Å; R73-D94 IonicContact NH2-OD1 3.34Å; D94-S96 PolarHBondContact O-N 3.1Å; D94-Y97 PolarHBondContact O-N 3.21Å; D94-L98 WeakPolarHBondContact O-CG 3.44Å; D94-L98 PolarHBondContact O-N 3.31Å
95	F	88.7	Confident	86.5	Confident	11 Å²	11	47.2 Å²	47.2	5%	0.048	27%	0.269	C	S	.	.	H	α-helix	trans	-58.1	-48.6	170.4	172.7	-103.3	0	0	0	111.2	L87 F90 Y97 L98 Y99 I105 P127 Y158	L87-F95 HydrophobicContact CD2-CB 3.89Å; F90-F95 HydrophobicContact CB-CD1 4.46Å; F90-F95 HydrophobicContact CB-CD2 4Å; F90-F95 HydrophobicContact CB-CE1 4.22Å; F90-F95 HydrophobicContact CB-CE2 3.73Å; F90-F95 HydrophobicContact CB-CG 4.36Å; F90-F95 HydrophobicContact CB-CZ 3.86Å; F90-F95 AromaticContact CD1-CD2 3.97Å; F90-F95 HydrophobicContact CD1-CD2 3.97Å; F90-F95 AromaticContact CD1-CE2 3.89Å; F90-F95 HydrophobicContact CD1-CE2 3.89Å; F90-F95 AromaticContact CD2-CE2 3.97Å; F90-F95 HydrophobicContact CD2-CE2 3.97Å; F90-F95 HydrophobicContact CD2-CZ 4.28Å; F90-F95 HydrophobicContact CG-CD2 4.02Å; F90-F95 AromaticContact CG-CE2 3.59Å; F90-F95 HydrophobicContact CG-CE2 3.59Å; F90-F95 HydrophobicContact CG-CZ 4.1Å; F95-Y97 VanDerWaalsContact C-N 3.31Å; F95-Y97 PolarHBondContact O-N 2.94Å; F95-L98 PolarHBondContact O-N 3.33Å; F95-Y99 HydrophobicContact CZ-CD2 4.41Å; F95-Y99 HydrophobicContact CZ-CG 4.34Å; F95-Y99 WeakPolarHBondContact O-CB 3.37Å; F95-Y99 PolarHBondContact O-N 2.85Å; F95-I105 HydrophobicContact CD2-CD1 4.03Å; F95-I105 HydrophobicContact CD2-CG2 4.26Å; F95-I105 HydrophobicContact CE2-CD1 3.92Å; F95-I105 HydrophobicContact CE2-CG2 4.2Å; F95-P127 HydrophobicContact CE2-CB 4.17Å; F95-P127 HydrophobicContact CE2-CG 4.27Å; F95-P127 HydrophobicContact CZ-CB 4.43Å; F95-P127 HydrophobicContact CZ-CG 4.32Å; F95-Y158 HydrophobicContact CZ-CE1 4.11Å; F95-Y158 HydrophobicContact CZ-CE2 4.31Å; F95-Y158 AromaticContact CZ-CZ 3.67Å; F95-Y158 WeakPolarHBondContact CZ-OH 3.23Å
96	S	85.7	Confident	86.7	Confident	49 Å²	49	47.3 Å²	47.3	34%	0.343	27%	0.269	S	S	.	.	H	α-helix	trans	-59	-44.8	-179.6	-59.3	0	0	0	0	110.8	G92 P93 D94 Y99 H100	G92-S96 WeakPolarHBondContact O-CB 3.21Å; G92-S96 PolarHBondContact O-N 3.22Å; G92-S96 VanDerWaalsContact O-N 3.13Å; G92-S96 PolarHBondContact O-OG 2.93Å; P93-S96 PolarHBondContact O-N 3.44Å; D94-S96 PolarHBondContact O-N 3.1Å; S96-Y99 PolarHBondContact O-N 2.98Å; S96-H100 PolarHBondContact O-N 3.18Å; S96-H100 PolarHBondContact O-ND1 2.94Å
97	Y	87	Confident	86.7	Confident	113 Å²	113	47.3 Å²	47.3	44%	0.443	27%	0.269	S	S	.	.	H	α-helix	trans	-61.5	-50.4	179.1	-176.4	-106	0	0	0	112.3	V75 I78 P93 D94 F95 Y99 H100 A101	V75-Y97 HydrophobicContact CB-CE1 4.36Å; V75-Y97 HydrophobicContact CG1-CE1 4.05Å; V75-Y97 HydrophobicContact CG2-CD1 4.13Å; V75-Y97 HydrophobicContact CG2-CE1 3.88Å; I78-Y97 HydrophobicContact CD1-CD1 4.07Å; I78-Y97 HydrophobicContact CD1-CE1 3.25Å; P93-Y97 WeakPolarHBondContact O-CB 3.47Å; P93-Y97 PolarHBondContact O-N 3.47Å; D94-Y97 PolarHBondContact O-N 3.21Å; F95-Y97 VanDerWaalsContact C-N 3.31Å; F95-Y97 PolarHBondContact O-N 2.94Å; Y97-Y99 VanDerWaalsContact C-N 3.31Å; Y97-Y99 PolarHBondContact O-N 2.86Å; Y97-H100 PolarHBondContact O-N 2.8Å; Y97-A101 VanDerWaalsContact O-CB 3.31Å; Y97-A101 WeakPolarHBondContact O-CB 3.44Å; Y97-A101 PolarHBondContact O-N 3.12Å
98	L	85.8	Confident	86.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-36.4	178.9	-67.3	171.1	0	0	0	112.4	V47 F85 L87 D94 F95 A101 G102 R103 I105	V47-L98 HydrophobicContact CG2-CD1 4.35Å; F85-L98 HydrophobicContact CB-CD1 4.01Å; F85-L98 HydrophobicContact CD1-CD1 4.07Å; F85-L98 HydrophobicContact CD1-CD2 4.03Å; F85-L98 HydrophobicContact CD2-CD2 4.23Å; F85-L98 HydrophobicContact CE1-CD2 4.02Å; F85-L98 HydrophobicContact CE2-CD2 4.25Å; F85-L98 HydrophobicContact CG-CD1 4.01Å; F85-L98 HydrophobicContact CG-CD2 4.13Å; F85-L98 HydrophobicContact CZ-CD2 4.14Å; L87-L98 HydrophobicContact CD1-CD1 3.71Å; L87-L98 HydrophobicContact CD2-CD1 4.37Å; D94-L98 WeakPolarHBondContact O-CG 3.44Å; D94-L98 PolarHBondContact O-N 3.31Å; F95-L98 PolarHBondContact O-N 3.33Å; L98-A101 PolarHBondContact O-N 3.1Å; L98-G102 PolarHBondContact O-N 3.17Å; L98-R103 PolarHBondContact O-N 3.45Å; L98-I105 HydrophobicContact CB-CD1 3.72Å; L98-I105 HydrophobicContact CB-CG1 4.29Å
99	Y	86	Confident	86.8	Confident	87 Å²	87	45.2 Å²	45.2	34%	0.341	26%	0.259	S	S	.	.	H	α-helix	trans	-66.5	-49	177.9	178.5	-114.1	0	0	0	111.7	F95 S96 Y97 A101 G102 P127	F95-Y99 HydrophobicContact CZ-CD2 4.41Å; F95-Y99 HydrophobicContact CZ-CG 4.34Å; F95-Y99 WeakPolarHBondContact O-CB 3.37Å; F95-Y99 PolarHBondContact O-N 2.85Å; S96-Y99 PolarHBondContact O-N 2.98Å; Y97-Y99 VanDerWaalsContact C-N 3.31Å; Y97-Y99 PolarHBondContact O-N 2.86Å; Y99-A101 PolarHBondContact O-N 2.93Å; Y99-G102 PolarHBondContact O-N 3.04Å; Y99-P127 HydrophobicContact CD2-CG 3.4Å; Y99-P127 HydrophobicContact CE2-CG 3.65Å
100	H	85.3	Confident	87	Confident	159 Å²	159	42.4 Å²	42.4	74%	0.736	24%	0.244	S	C	*	.	H	α-helix	trans	-66.9	-24.2	176.7	-69.6	87.8	0	0	0	112.2	S96 Y97 G102	S96-H100 PolarHBondContact O-N 3.18Å; S96-H100 PolarHBondContact O-ND1 2.94Å; Y97-H100 PolarHBondContact O-N 2.8Å; H100-G102 PolarHBondContact O-N 3.18Å
101	A	85.8	Confident	86.8	Confident	36 Å²	36	41.8 Å²	41.8	30%	0.298	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	0.7	171.8	0	0	0	0	0	114.4	I78 Y97 L98 Y99 R103	I78-A101 HydrophobicContact CD1-CB 3.59Å; I78-A101 HydrophobicContact CG1-CB 4.15Å; Y97-A101 VanDerWaalsContact O-CB 3.31Å; Y97-A101 WeakPolarHBondContact O-CB 3.44Å; Y97-A101 PolarHBondContact O-N 3.12Å; L98-A101 PolarHBondContact O-N 3.1Å; Y99-A101 PolarHBondContact O-N 2.93Å; A101-R103 VanDerWaalsContact C-N 3.32Å; A101-R103 HydrophobicContact CB-CG 4.11Å; A101-R103 PolarHBondContact O-N 2.98Å; A101-R103 PolarHBondContact O-NE 3.28Å
102	G	82.6	Confident	86.9	Confident	63 Å²	63	40.6 Å²	40.6	65%	0.649	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	25.8	176	0	0	0	0	0	114.5	L98 Y99 H100	L98-G102 PolarHBondContact O-N 3.17Å; Y99-G102 PolarHBondContact O-N 3.04Å; H100-G102 PolarHBondContact O-N 3.18Å
103	R	85.7	Confident	86.9	Confident	44 Å²	44	39.1 Å²	39.1	17%	0.166	21%	0.21	C	C	.	.			trans	-84.1	153.5	-177.8	-58.1	-65.5	147.7	162.6	6	111.8	I78 E80 F85 L98 A101 I105	I78-R103 PolarHBondContact O-NE 3.44Å; I78-R103 PolarHBondContact O-NH1 2.98Å; I78-R103 PolarHBondContact O-NH2 3.19Å; E80-R103 PolarHBondContact O-NH1 3.46Å; F85-R103 HydrophobicContact CD2-CB 3.76Å; F85-R103 HydrophobicContact CD2-CG 4.36Å; F85-R103 HydrophobicContact CE2-CB 3.76Å; F85-R103 HydrophobicContact CE2-CG 3.87Å; L98-R103 PolarHBondContact O-N 3.45Å; A101-R103 VanDerWaalsContact C-N 3.32Å; A101-R103 HydrophobicContact CB-CG 4.11Å; A101-R103 PolarHBondContact O-N 2.98Å; A101-R103 PolarHBondContact O-NE 3.28Å; R103-I105 PolarHBondContact O-N 3.23Å
104	R	87.3	Confident	86.8	Confident	48 Å²	48	35.1 Å²	35.1	18%	0.181	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	120.8	174.2	-66.4	176.4	-176.9	168.6	-1.5	108.6	A39 A84 F85	A39-R104 PolarHBondContact O-NH1 2.86Å; A39-R104 VanDerWaalsContact O-NH1 3.12Å; A39-R104 PolarHBondContact O-NH2 3.17Å; A84-R104 WeakPolarHBondContact CA-O 3.48Å; A84-R104 HydrophobicContact CB-CB 4.02Å; F85-R104 PolarHBondContact N-O 2.91Å
105	I	89.6	Confident	86.6	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.8	-177	-58.6	169.6	0	0	0	109.9	F85 L87 F90 F95 L98 R103 P127 L128	F85-I105 CarbonylContact O-C 3.56Å; F85-I105 VanDerWaalsContact O-CA 3.3Å; F85-I105 WeakPolarHBondContact O-CA 3.44Å; L87-I105 HydrophobicContact CD1-CG2 3.77Å; F90-I105 HydrophobicContact CD1-CG2 4.28Å; F90-I105 HydrophobicContact CE1-CG2 3.61Å; F90-I105 HydrophobicContact CZ-CG2 3.88Å; F95-I105 HydrophobicContact CD2-CD1 4.03Å; F95-I105 HydrophobicContact CD2-CG2 4.26Å; F95-I105 HydrophobicContact CE2-CD1 3.92Å; F95-I105 HydrophobicContact CE2-CG2 4.2Å; L98-I105 HydrophobicContact CB-CD1 3.72Å; L98-I105 HydrophobicContact CB-CG1 4.29Å; R103-I105 PolarHBondContact O-N 3.23Å; I105-P127 HydrophobicContact CB-CB 4.06Å; I105-P127 HydrophobicContact CB-CG 4.34Å; I105-P127 HydrophobicContact CD1-CG 4.34Å; I105-P127 VanDerWaalsContact O-CA 3.28Å; I105-P127 WeakPolarHBondContact O-CA 3.33Å; I105-L128 PolarHBondContact O-N 3.12Å
106	Y	90.4	Very high	86.4	Confident	1 Å²	1	40 Å²	40	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	150.2	175.1	-62.9	-64.4	0	0	0	112.1	F44 A84 F85 I86 L87 I110 P122 L128	F44-Y106 AromaticContact CE1-CD2 3.96Å; F44-Y106 HydrophobicContact CE1-CD2 3.96Å; F44-Y106 HydrophobicContact CE1-CE2 4.12Å; A84-Y106 HydrophobicContact CB-CD2 3.71Å; A84-Y106 HydrophobicContact CB-CE2 3.55Å; F85-Y106 PolarHBondContact O-N 3.04Å; I86-Y106 VanDerWaalsContact CA-O 3.31Å; I86-Y106 WeakPolarHBondContact CA-O 3.44Å; L87-Y106 PolarHBondContact N-O 3.33Å; L87-Y106 VanDerWaalsContact N-O 3.08Å; Y106-I110 HydrophobicContact CD1-CG2 4.04Å; Y106-I110 HydrophobicContact CG-CG2 4.37Å; Y106-P122 PolarHBondContact OH-O 3.46Å; Y106-L128 CarbonylContact C-O 3.59Å; Y106-L128 VanDerWaalsContact CA-O 3.28Å; Y106-L128 WeakPolarHBondContact CA-O 3.33Å; Y106-L128 HydrophobicContact CD1-CB 4.22Å; Y106-L128 HydrophobicContact CE1-CB 4.46Å
107	G	90.2	Very high	86.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.			trans	-87.4	165.8	165	0	0	0	0	0	111.5	T109 I110 L128	G107-T109 VanDerWaalsContact C-N 3.33Å; G107-T109 PolarHBondContact O-N 2.9Å; G107-I110 VanDerWaalsContact O-CG2 3.23Å; G107-I110 WeakPolarHBondContact O-CG2 3.37Å; G107-L128 PolarHBondContact N-O 3.29Å
108	P	88.7	Confident	85.7	Confident	12 Å²	12	44.5 Å²	44.5	8%	0.078	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-37.8	174.8	-23.2	34.7	0	0	0	112.6	L56 L87 N88 I110 I111 F112	L56-P108 HydrophobicContact CD1-CB 4.37Å; L56-P108 HydrophobicContact CD2-CB 4.31Å; L56-P108 HydrophobicContact CD2-CG 4.44Å; L87-P108 WeakPolarHBondContact O-CD 3.15Å; N88-P108 VanDerWaalsContact OD1-CG 3.25Å; N88-P108 WeakPolarHBondContact OD1-CG 3.43Å; P108-I110 PolarHBondContact O-N 3.46Å; P108-I111 WeakPolarHBondContact O-CB 3.41Å; P108-I111 PolarHBondContact O-N 2.98Å; P108-I111 VanDerWaalsContact O-N 3.15Å; P108-F112 HydrophobicContact CB-CE2 4.08Å; P108-F112 WeakPolarHBondContact O-CD2 3.45Å; P108-F112 PolarHBondContact O-N 3.46Å
109	T	87.9	Confident	85.2	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-43.7	-174	-48.1	0	0	0	0	112.7	G107 I111 F112 E113 Y129 C130 R207 P210	G107-T109 VanDerWaalsContact C-N 3.33Å; G107-T109 PolarHBondContact O-N 2.9Å; T109-I111 PolarHBondContact O-N 3.45Å; T109-F112 PolarHBondContact O-N 2.82Å; T109-E113 HydrophobicContact CG2-CG 4.27Å; T109-E113 WeakPolarHBondContact O-CG 3.28Å; T109-E113 PolarHBondContact O-N 2.91Å; T109-Y129 WeakPolarHBondContact OG1-CE1 2.88Å; T109-C130 HydrophobicContact CG2-CB 3.89Å; T109-R207 WeakPolarHBondContact CB-O 3.39Å; T109-R207 VanDerWaalsContact CG2-O 3.3Å; T109-R207 WeakPolarHBondContact CG2-O 3.44Å; T109-R207 PolarHBondContact OG1-O 3.33Å; T109-P210 HydrophobicContact CG2-CB 4.4Å; T109-P210 HydrophobicContact CG2-CG 4.35Å
110	I	87.4	Confident	84.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-32.6	179.4	-171.2	66.6	0	0	0	112.5	Y106 G107 P108 E113 S114 L121 L128 Y129 N131	Y106-I110 HydrophobicContact CD1-CG2 4.04Å; Y106-I110 HydrophobicContact CG-CG2 4.37Å; G107-I110 VanDerWaalsContact O-CG2 3.23Å; G107-I110 WeakPolarHBondContact O-CG2 3.37Å; P108-I110 PolarHBondContact O-N 3.46Å; I110-E113 PolarHBondContact O-N 3.46Å; I110-S114 WeakPolarHBondContact O-CB 3.17Å; I110-S114 PolarHBondContact O-N 2.83Å; I110-L121 HydrophobicContact CG1-CD2 4.45Å; I110-L128 HydrophobicContact CD1-CD2 3.84Å; I110-L128 HydrophobicContact CD1-CG 4.24Å; I110-L128 HydrophobicContact CG1-CD2 3.82Å; I110-L128 HydrophobicContact CG1-CG 4.12Å; I110-Y129 WeakPolarHBondContact CB-O 3.35Å; I110-Y129 PolarHBondContact N-O 3.09Å; I110-N131 HydrophobicContact CD1-CB 4.24Å; I110-N131 WeakPolarHBondContact CD1-ND2 3.47Å
111	I	86.3	Confident	84.3	Confident	1 Å²	1	42 Å²	42	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-66	-48.8	176	-53.6	-58	0	0	0	109.7	L56 V59 L60 I86 P108 T109 E113 S114 V115 L121	L56-I111 HydrophobicContact CD1-CB 4.1Å; L56-I111 HydrophobicContact CD1-CG1 4.27Å; L56-I111 HydrophobicContact CD1-CG2 4.11Å; V59-I111 HydrophobicContact CG1-CG2 4.01Å; L60-I111 HydrophobicContact CD2-CD1 4.21Å; L60-I111 HydrophobicContact CD2-CG1 4.38Å; L60-I111 HydrophobicContact CD2-CG2 3.69Å; L60-I111 HydrophobicContact CG-CG2 4.2Å; I86-I111 HydrophobicContact CD1-CD1 4.39Å; I86-I111 HydrophobicContact CD1-CG1 4.31Å; P108-I111 WeakPolarHBondContact O-CB 3.41Å; P108-I111 PolarHBondContact O-N 2.98Å; P108-I111 VanDerWaalsContact O-N 3.15Å; T109-I111 PolarHBondContact O-N 3.45Å; I111-E113 VanDerWaalsContact C-N 3.31Å; I111-E113 PolarHBondContact O-N 3.28Å; I111-S114 PolarHBondContact O-N 3.2Å; I111-V115 VanDerWaalsContact O-CG2 3.22Å; I111-V115 WeakPolarHBondContact O-CG2 3.47Å; I111-V115 PolarHBondContact O-N 3.29Å; I111-V115 VanDerWaalsContact O-N 3.13Å; I111-L121 HydrophobicContact CD1-CD1 3.73Å; I111-L121 HydrophobicContact CD1-CD2 3.66Å; I111-L121 HydrophobicContact CD1-CG 4.38Å
112	F	86.1	Confident	83.8	Confident	47 Å²	47	41.9 Å²	41.9	21%	0.206	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-39.3	176.2	-65.3	-61.5	0	0	0	112.2	L56 V59 P108 T109 V115 Q116 P210	L56-F112 HydrophobicContact CB-CZ 4.36Å; L56-F112 HydrophobicContact CD1-CE2 4.35Å; L56-F112 HydrophobicContact CD1-CZ 4.22Å; V59-F112 HydrophobicContact CB-CE1 4.45Å; V59-F112 HydrophobicContact CG2-CD1 4.31Å; V59-F112 HydrophobicContact CG2-CE1 3.98Å; P108-F112 HydrophobicContact CB-CE2 4.08Å; P108-F112 WeakPolarHBondContact O-CD2 3.45Å; P108-F112 PolarHBondContact O-N 3.46Å; T109-F112 PolarHBondContact O-N 2.82Å; F112-V115 PolarHBondContact O-N 3.43Å; F112-Q116 WeakPolarHBondContact O-CB 3.41Å; F112-Q116 WeakPolarHBondContact O-CG 3.43Å; F112-Q116 PolarHBondContact O-N 3.11Å; F112-P210 HydrophobicContact CB-CG 4.38Å
113	E	85.6	Confident	83.2	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.028	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-42.7	177	-73.4	177	168.5	0	0	112.5	T109 I110 I111 V115 Q116 A117 N131 P210 M211	T109-E113 HydrophobicContact CG2-CG 4.27Å; T109-E113 WeakPolarHBondContact O-CG 3.28Å; T109-E113 PolarHBondContact O-N 2.91Å; I110-E113 PolarHBondContact O-N 3.46Å; I111-E113 VanDerWaalsContact C-N 3.31Å; I111-E113 PolarHBondContact O-N 3.28Å; E113-V115 VanDerWaalsContact C-N 3.31Å; E113-V115 PolarHBondContact O-N 3.38Å; E113-Q116 PolarHBondContact O-N 3.25Å; E113-A117 VanDerWaalsContact O-CB 3.27Å; E113-A117 WeakPolarHBondContact O-CB 3.42Å; E113-A117 PolarHBondContact O-N 3.41Å; E113-N131 WeakPolarHBondContact OE2-CB 3.23Å; E113-N131 PolarHBondContact OE2-N 2.97Å; E113-P210 HydrophobicContact CG-CB 4.13Å; E113-M211 HydrophobicContact CB-CE 3.96Å; E113-M211 HydrophobicContact CG-CE 4.11Å; E113-M211 HydrophobicContact CG-SD 4.25Å; E113-M211 VanDerWaalsContact O-CE 3.31Å; E113-M211 WeakPolarHBondContact O-CE 3.46Å; E113-M211 PolarHBondContact OE1-N 3.19Å
114	S	83.6	Confident	82.3	Confident	11 Å²	11	46.9 Å²	46.9	8%	0.077	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-42.2	176.9	166	0	0	0	0	111.7	I110 I111 K118 S119 L121	I110-S114 WeakPolarHBondContact O-CB 3.17Å; I110-S114 PolarHBondContact O-N 2.83Å; I111-S114 PolarHBondContact O-N 3.2Å; S114-K118 PolarHBondContact O-N 3.47Å; S114-S119 PolarHBondContact O-N 3.29Å; S114-S119 PolarHBondContact OG-O 3.13Å; S114-L121 VanDerWaalsContact CB-CD2 3.49Å
115	V	83.6	Confident	81.4	Confident	37 Å²	37	49 Å²	49	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-46.7	178.7	173.8	0	0	0	0	111.2	V59 H63 I111 F112 E113 A117 K118	V59-V115 HydrophobicContact CG1-CB 4.3Å; V59-V115 HydrophobicContact CG1-CG1 4.45Å; V59-V115 HydrophobicContact CG1-CG2 3.4Å; H63-V115 HydrophobicContact CB-CG1 4.33Å; H63-V115 HydrophobicContact CB-CG2 3.94Å; I111-V115 VanDerWaalsContact O-CG2 3.22Å; I111-V115 WeakPolarHBondContact O-CG2 3.47Å; I111-V115 PolarHBondContact O-N 3.29Å; I111-V115 VanDerWaalsContact O-N 3.13Å; F112-V115 PolarHBondContact O-N 3.43Å; E113-V115 VanDerWaalsContact C-N 3.31Å; E113-V115 PolarHBondContact O-N 3.38Å; V115-A117 PolarHBondContact O-N 3.38Å; V115-K118 PolarHBondContact O-N 3.32Å
116	Q	83.2	Confident	81	Confident	120 Å²	120	55.8 Å²	55.8	56%	0.561	30%	0.297	S	S	*	.	H	α-helix	trans	-64.2	-40.6	178.6	-75.3	179	5.1	0	0	112.4	F112 E113 K118 M211	F112-Q116 WeakPolarHBondContact O-CB 3.41Å; F112-Q116 WeakPolarHBondContact O-CG 3.43Å; F112-Q116 PolarHBondContact O-N 3.11Å; E113-Q116 PolarHBondContact O-N 3.25Å; Q116-K118 VanDerWaalsContact C-N 3.27Å; Q116-K118 PolarHBondContact O-N 2.92Å; Q116-M211 HydrophobicContact CB-CE 3.54Å
117	A	80.7	Confident	81	Confident	59 Å²	59	56.1 Å²	56.1	49%	0.488	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-4	178.6	0	0	0	0	0	113.8	E113 V115 S119 M211	E113-A117 VanDerWaalsContact O-CB 3.27Å; E113-A117 WeakPolarHBondContact O-CB 3.42Å; E113-A117 PolarHBondContact O-N 3.41Å; V115-A117 PolarHBondContact O-N 3.38Å; A117-S119 PolarHBondContact O-N 2.91Å; A117-M211 HydrophobicContact CB-CE 4.17Å
118	K	77.5	Confident	81	Confident	197 Å²	197	56.2 Å²	56.2	86%	0.857	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	38.3	-172	-59.8	-177.8	-179.5	179.1	0	112.8	S114 V115 Q116	S114-K118 PolarHBondContact O-N 3.47Å; V115-K118 PolarHBondContact O-N 3.32Å; Q116-K118 VanDerWaalsContact C-N 3.27Å; Q116-K118 PolarHBondContact O-N 2.92Å
119	S	75.9	Confident	81.1	Confident	47 Å²	47	56 Å²	56	33%	0.329	30%	0.297	S	S	.	.			trans	-113.4	144.5	-177.1	66.5	0	0	0	0	110.4	S114 A117	S114-S119 PolarHBondContact O-N 3.29Å; S114-S119 PolarHBondContact OG-O 3.13Å; A117-S119 PolarHBondContact O-N 2.91Å
120	P	77.1	Confident	81.3	Confident	120 Å²	120	55.8 Å²	55.8	78%	0.779	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-61.9	147	178.3	26.6	-34.2	0	0	0	110.7
121	L	76.4	Confident	81.4	Confident	26 Å²	26	57.5 Å²	57.5	14%	0.136	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-61.2	133	176.1	-78.7	167.2	0	0	0	110.2	F44 V64 I110 I111 S114 L123	F44-L121 HydrophobicContact CE1-CD1 4.28Å; F44-L121 HydrophobicContact CZ-CD1 3.63Å; V64-L121 HydrophobicContact CG1-CD1 4.31Å; V64-L121 HydrophobicContact CG2-CD1 4.22Å; I110-L121 HydrophobicContact CG1-CD2 4.45Å; I111-L121 HydrophobicContact CD1-CD1 3.73Å; I111-L121 HydrophobicContact CD1-CD2 3.66Å; I111-L121 HydrophobicContact CD1-CG 4.38Å; S114-L121 VanDerWaalsContact CB-CD2 3.49Å; L121-L123 PolarHBondContact O-N 2.88Å; L121-L123 VanDerWaalsContact O-N 3.13Å
122	P	74.5	Confident	81.7	Confident	34 Å²	34	57.5 Å²	57.5	22%	0.221	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-64.6	117	-179.3	-19.1	30.9	0	0	0	110.7	Y106 K124 L128	Y106-P122 PolarHBondContact OH-O 3.46Å; P122-K124 HydrophobicContact CB-CD 4.46Å; P122-K124 HydrophobicContact CB-CG 4.18Å; P122-K124 PolarHBondContact O-N 3.28Å; P122-L128 HydrophobicContact CB-CD2 4.1Å; P122-L128 HydrophobicContact CG-CD2 3.87Å
123	L	70.5	Confident	82	Confident	115 Å²	115	55.3 Å²	55.3	60%	0.602	30%	0.296	S	S	*	.			trans	-74.9	51.3	176.3	-64.1	171.7	0	0	0	112.2	L41 L121	L41-L123 HydrophobicContact CB-CD2 4.38Å; L121-L123 PolarHBondContact O-N 2.88Å; L121-L123 VanDerWaalsContact O-N 3.13Å
124	K	66.6	Low	82.1	Confident	97 Å²	97	60.4 Å²	60.4	42%	0.422	32%	0.318	S	S	.	.			trans	-81.3	140.4	176.8	-67.3	-175.7	178.8	176.9	0	109.3	P122 R126	P122-K124 HydrophobicContact CB-CD 4.46Å; P122-K124 HydrophobicContact CB-CG 4.18Å; P122-K124 PolarHBondContact O-N 3.28Å; K124-R126 PolarHBondContact O-N 2.6Å
125	S	66.8	Low	82.3	Confident	93 Å²	93	66.2 Å²	66.2	65%	0.65	35%	0.349	S	S	*	.	S	Bend	trans	-72.8	-17.9	173.3	53.7	0	0	0	0	113.2
126	R	83.2	Confident	82.8	Confident	144 Å²	144	64.6 Å²	64.6	54%	0.543	34%	0.339	S	S	.	.	S	Bend	trans	-90.1	150.4	-178.2	-60	-178.4	-177	-172.8	-0.6	111	K124 L128 H157	K124-R126 PolarHBondContact O-N 2.6Å; R126-L128 PolarHBondContact O-N 3.46Å; R126-H157 PolarHBondContact NH1-CE1 2.8Å; R126-H157 PolarHBondContact NH1-NE2 3.42Å; R126-H157 VanDerWaalsContact NH1-NE2 3.19Å
127	P	88.9	Confident	83.2	Confident	7 Å²	7	59.9 Å²	59.9	5%	0.045	32%	0.318	C	S	.	.			trans	-57.2	136.8	174.4	-22.5	32.1	0	0	0	112.3	F90 F95 Y99 I105 Y158	F90-P127 HydrophobicContact CD2-CB 4.15Å; F90-P127 HydrophobicContact CE2-CB 3.64Å; F90-P127 HydrophobicContact CZ-CB 4.18Å; F95-P127 HydrophobicContact CE2-CB 4.17Å; F95-P127 HydrophobicContact CE2-CG 4.27Å; F95-P127 HydrophobicContact CZ-CB 4.43Å; F95-P127 HydrophobicContact CZ-CG 4.32Å; Y99-P127 HydrophobicContact CD2-CG 3.4Å; Y99-P127 HydrophobicContact CE2-CG 3.65Å; I105-P127 HydrophobicContact CB-CB 4.06Å; I105-P127 HydrophobicContact CB-CG 4.34Å; I105-P127 HydrophobicContact CD1-CG 4.34Å; I105-P127 VanDerWaalsContact O-CA 3.28Å; I105-P127 WeakPolarHBondContact O-CA 3.33Å; P127-Y158 HydrophobicContact CB-CD1 3.91Å; P127-Y158 HydrophobicContact CB-CE1 3.8Å; P127-Y158 HydrophobicContact CG-CE1 4.05Å
128	L	90.9	Very high	83.8	Confident	2 Å²	2	57 Å²	57	1%	0.01	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-137.2	116.8	-179.3	-176.9	65.3	0	0	0	110.9	I105 Y106 G107 I110 P122 R126 C130	I105-L128 PolarHBondContact O-N 3.12Å; Y106-L128 CarbonylContact C-O 3.59Å; Y106-L128 VanDerWaalsContact CA-O 3.28Å; Y106-L128 WeakPolarHBondContact CA-O 3.33Å; Y106-L128 HydrophobicContact CD1-CB 4.22Å; Y106-L128 HydrophobicContact CE1-CB 4.46Å; G107-L128 PolarHBondContact N-O 3.29Å; I110-L128 HydrophobicContact CD1-CD2 3.84Å; I110-L128 HydrophobicContact CD1-CG 4.24Å; I110-L128 HydrophobicContact CG1-CD2 3.82Å; I110-L128 HydrophobicContact CG1-CG 4.12Å; P122-L128 HydrophobicContact CB-CD2 4.1Å; P122-L128 HydrophobicContact CG-CD2 3.87Å; R126-L128 PolarHBondContact O-N 3.46Å; L128-C130 WeakPolarHBondContact CD1-O 3.34Å
129	Y	90.9	Very high	84.5	Confident	7 Å²	7	47.7 Å²	47.7	3%	0.027	25%	0.254	C	S	.	.			trans	-91.7	-46.5	-178.8	-161.2	-81.8	0	0	0	112.5	N88 F90 T109 I110 Y158 W204 R207 N208	N88-Y129 WeakPolarHBondContact O-CE2 3.32Å; N88-Y129 PolarHBondContact O-OH 3.19Å; F90-Y129 AromaticContact CD1-CD2 3.71Å; F90-Y129 HydrophobicContact CD1-CD2 3.71Å; F90-Y129 HydrophobicContact CD1-CE2 4.29Å; F90-Y129 HydrophobicContact CD2-CD2 4.19Å; F90-Y129 AromaticContact CE1-CD2 3.66Å; F90-Y129 HydrophobicContact CE1-CD2 3.66Å; F90-Y129 HydrophobicContact CE1-CE2 4.39Å; F90-Y129 HydrophobicContact CE2-CD2 4.17Å; F90-Y129 HydrophobicContact CE2-CG 4.48Å; F90-Y129 AromaticContact CG-CD2 3.97Å; F90-Y129 HydrophobicContact CG-CD2 3.97Å; F90-Y129 AromaticContact CZ-CD2 3.91Å; F90-Y129 HydrophobicContact CZ-CD2 3.91Å; F90-Y129 HydrophobicContact CZ-CG 4.42Å; T109-Y129 WeakPolarHBondContact OG1-CE1 2.88Å; I110-Y129 WeakPolarHBondContact CB-O 3.35Å; I110-Y129 PolarHBondContact N-O 3.09Å; Y129-Y158 WeakPolarHBondContact CB-O 3.19Å; Y129-Y158 PolarHBondContact N-O 3.49Å; Y129-W204 HydrophobicContact CD2-CH2 4.3Å; Y129-W204 HydrophobicContact CG-CH2 4.14Å; Y129-W204 HydrophobicContact CG-CZ3 4.39Å; Y129-R207 HydrophobicContact CD1-CB 3.86Å; Y129-R207 HydrophobicContact CD1-CG 3.82Å; Y129-R207 HydrophobicContact CE1-CB 4.05Å; Y129-R207 HydrophobicContact CE1-CG 3.58Å; Y129-N208 WeakPolarHBondContact CE1-OD1 3.21Å; Y129-N208 PolarHBondContact OH-OD1 2.62Å
130	C	90.7	Very high	85.3	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.007	24%	0.241	C	C	.	.			trans	-153.8	170	-179.7	62.8	0	0	0	0	110.8	T109 L128 Y158 M159	T109-C130 HydrophobicContact CG2-CB 3.89Å; L128-C130 WeakPolarHBondContact CD1-O 3.34Å; C130-Y158 PolarHBondContact N-O 3.46Å; C130-M159 CarbonylContact O-C 3.57Å; C130-M159 VanDerWaalsContact O-CA 3.31Å; C130-M159 WeakPolarHBondContact O-CA 3.36Å; C130-M159 VanDerWaalsContact O-O 3.1Å
131	N	91	Very high	85.9	Confident	36 Å²	36	40.5 Å²	40.5	19%	0.193	21%	0.205	C	C	.	.	S	Bend	trans	-95	23.3	175.6	-79.8	-38.7	0	0	0	113.7	I110 E113 M133 K134 M159	I110-N131 HydrophobicContact CD1-CB 4.24Å; I110-N131 WeakPolarHBondContact CD1-ND2 3.47Å; E113-N131 WeakPolarHBondContact OE2-CB 3.23Å; E113-N131 PolarHBondContact OE2-N 2.97Å; N131-M133 PolarHBondContact O-N 3.33Å; N131-M133 VanDerWaalsContact O-N 3.11Å; N131-K134 HydrophobicContact CB-CB 4Å; N131-K134 HydrophobicContact CB-CD 4.37Å; N131-K134 VanDerWaalsContact O-CB 3.24Å; N131-K134 WeakPolarHBondContact O-CB 3.18Å; N131-K134 PolarHBondContact O-N 3.17Å; N131-M159 CarbonylContact C-O 3.55Å
132	A	91.5	Very high	86.1	Confident	2 Å²	2	40.9 Å²	40.9	2%	0.017	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.3	-172.2	0	0	0	0	0	114.8	M159 T203 T212 A214	A132-M159 HydrophobicContact CB-CB 4.43Å; A132-M159 PolarHBondContact N-O 3.27Å; A132-T203 HydrophobicContact CB-CG2 3.87Å; A132-T212 WeakPolarHBondContact CA-O 3.33Å; A132-T212 WeakPolarHBondContact CB-O 3.29Å; A132-A214 WeakPolarHBondContact O-CB 3.2Å; A132-A214 PolarHBondContact O-N 3.2Å
133	M	92.6	Very high	86.7	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	23.7	174.6	-70.4	-167.9	170.1	0	0	112.7	N131 D135 V136 I138 V156 M159 G161 W199 V200 T203 A214	N131-M133 PolarHBondContact O-N 3.33Å; N131-M133 VanDerWaalsContact O-N 3.11Å; M133-D135 PolarHBondContact O-N 3.18Å; M133-V136 HydrophobicContact CB-CB 4.19Å; M133-V136 HydrophobicContact CB-CG2 4.32Å; M133-V136 VanDerWaalsContact O-CB 3.31Å; M133-V136 WeakPolarHBondContact O-CB 3.5Å; M133-V136 PolarHBondContact O-N 3.35Å; M133-I138 HydrophobicContact CE-CD1 4.48Å; M133-I138 HydrophobicContact SD-CD1 3.98Å; M133-V156 HydrophobicContact SD-CB 4.4Å; M133-V156 HydrophobicContact SD-CG1 4.2Å; M133-V156 HydrophobicContact SD-CG2 4.04Å; M133-M159 CarbonylContact C-O 3.38Å; M133-M159 WeakPolarHBondContact CA-O 3.37Å; M133-M159 HydrophobicContact CB-CB 3.92Å; M133-M159 HydrophobicContact CE-CE 3.67Å; M133-M159 HydrophobicContact CE-SD 4.45Å; M133-M159 HydrophobicContact CG-CB 3.96Å; M133-M159 HydrophobicContact CG-CE 4.26Å; M133-M159 HydrophobicContact CG-SD 4.39Å; M133-M159 PolarHBondContact N-O 3.35Å; M133-M159 HydrophobicContact SD-CB 4.46Å; M133-M159 HydrophobicContact SD-CE 3.58Å; M133-M159 VanDerWaalsContact SD-CE 3.58Å; M133-M159 HydrophobicContact SD-SD 4.45Å; M133-G161 WeakPolarHBondContact O-CA 3.49Å; M133-G161 PolarHBondContact O-N 2.97Å; M133-W199 HydrophobicContact CE-CD2 4.34Å; M133-W199 HydrophobicContact CE-CE3 4.24Å; M133-W199 HydrophobicContact CE-CH2 4.32Å; M133-W199 HydrophobicContact CE-CZ2 4.37Å; M133-W199 HydrophobicContact CE-CZ3 4.24Å; M133-V200 HydrophobicContact CE-CB 4.45Å; M133-V200 HydrophobicContact CE-CG1 4.48Å; M133-V200 HydrophobicContact CE-CG2 4.27Å; M133-T203 HydrophobicContact CE-CG2 4.03Å; M133-T203 HydrophobicContact CG-CG2 4.28Å; M133-A214 HydrophobicContact CE-CB 4.1Å; M133-A214 HydrophobicContact CG-CB 3.67Å
134	K	88.2	Confident	87.4	Confident	113 Å²	113	41.6 Å²	41.6	49%	0.491	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	135.9	173	-173.2	-176.6	173.4	-174.7	0	109.8	N131 V136	N131-K134 HydrophobicContact CB-CB 4Å; N131-K134 HydrophobicContact CB-CD 4.37Å; N131-K134 VanDerWaalsContact O-CB 3.24Å; N131-K134 WeakPolarHBondContact O-CB 3.18Å; N131-K134 PolarHBondContact O-N 3.17Å; K134-V136 PolarHBondContact O-N 3.46Å
135	D	88.1	Confident	88.4	Confident	134 Å²	134	40.5 Å²	40.5	72%	0.717	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	6.8	-177	-49.6	-41.9	0	0	0	115.8	M133	M133-D135 PolarHBondContact O-N 3.18Å
136	V	92.8	Very high	89.4	Confident	3 Å²	3	44 Å²	44	2%	0.018	23%	0.229	C	C	.	.			trans	-91.3	123.3	173.3	-175.8	0	0	0	0	110	M133 K134 I138 G161 S162 W199 L215	M133-V136 HydrophobicContact CB-CB 4.19Å; M133-V136 HydrophobicContact CB-CG2 4.32Å; M133-V136 VanDerWaalsContact O-CB 3.31Å; M133-V136 WeakPolarHBondContact O-CB 3.5Å; M133-V136 PolarHBondContact O-N 3.35Å; K134-V136 PolarHBondContact O-N 3.46Å; V136-I138 HydrophobicContact CG1-CD1 4.13Å; V136-I138 HydrophobicContact CG1-CG1 3.76Å; V136-G161 WeakPolarHBondContact O-CA 3.3Å; V136-S162 PolarHBondContact O-N 2.95Å; V136-W199 HydrophobicContact CG1-CH2 3.71Å; V136-L215 HydrophobicContact CG2-CD2 4.21Å; V136-L215 HydrophobicContact CG2-CG 4.39Å
137	T	93	Very high	89.8	Confident	20 Å²	20	45.6 Å²	45.6	12%	0.123	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.5	170.9	-58	0	0	0	0	110	S162 R164 S170 V171 T172 H173	T137-S162 CarbonylContact C-O 3.52Å; T137-S162 WeakPolarHBondContact CA-O 3.43Å; T137-S162 WeakPolarHBondContact CG2-OG 3.21Å; T137-S162 PolarHBondContact OG1-OG 3.5Å; T137-R164 HydrophobicContact CG2-CG 3.56Å; T137-S170 WeakPolarHBondContact CB-O 3.41Å; T137-V171 HydrophobicContact CG2-CG2 4.41Å; T137-T172 PolarHBondContact N-OG1 2.9Å; T137-T172 PolarHBondContact O-N 2.89Å; T137-T172 PolarHBondContact O-OG1 3.49Å; T137-H173 PolarHBondContact O-N 3.33Å
138	I	93.5	Very high	89.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142.1	-173.1	-62.8	177.8	0	0	0	111.2	M133 V136 F140 V156 S162 V163 R164 H173 V175 W199	M133-I138 HydrophobicContact CE-CD1 4.48Å; M133-I138 HydrophobicContact SD-CD1 3.98Å; V136-I138 HydrophobicContact CG1-CD1 4.13Å; V136-I138 HydrophobicContact CG1-CG1 3.76Å; I138-F140 HydrophobicContact CG2-CD2 4.28Å; I138-F140 HydrophobicContact CG2-CE1 4.5Å; I138-F140 HydrophobicContact CG2-CE2 4.07Å; I138-F140 HydrophobicContact CG2-CZ 4.19Å; I138-V156 HydrophobicContact CD1-CB 4.5Å; I138-V156 HydrophobicContact CD1-CG1 3.92Å; I138-V156 HydrophobicContact CD1-CG2 3.68Å; I138-S162 PolarHBondContact N-O 3.36Å; I138-V163 CarbonylContact O-C 3.54Å; I138-V163 WeakPolarHBondContact O-CA 3.25Å; I138-R164 PolarHBondContact O-N 2.64Å; I138-H173 WeakPolarHBondContact CA-O 3.46Å; I138-V175 HydrophobicContact CD1-CG2 4.34Å; I138-V175 HydrophobicContact CG2-CB 4.13Å; I138-V175 HydrophobicContact CG2-CG2 3.63Å; I138-W199 HydrophobicContact CD1-CE3 4.46Å; I138-W199 HydrophobicContact CD1-CH2 4.15Å; I138-W199 HydrophobicContact CD1-CZ3 3.56Å; I138-W199 HydrophobicContact CG1-CZ3 4.12Å
139	C	92.1	Very high	89.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.8	160.9	-167.1	0	0	0	0	109.9	R164 F167 V171 H173 V174 V175	C139-R164 PolarHBondContact SG-O 2.87Å; C139-R164 VanDerWaalsContact SG-O 3.32Å; C139-F167 HydrophobicContact CB-CD2 4.46Å; C139-V171 HydrophobicContact CB-CG1 3.93Å; C139-V171 HydrophobicContact CB-CG2 4.07Å; C139-H173 PolarHBondContact N-O 3.49Å; C139-H173 VanDerWaalsContact N-O 3.15Å; C139-V174 HydrophobicContact CB-CG2 4.28Å; C139-V174 CarbonylContact O-C 3.47Å; C139-V174 VanDerWaalsContact O-CA 3.31Å; C139-V174 WeakPolarHBondContact O-CA 3.28Å; C139-V174 WeakPolarHBondContact O-CG1 3.48Å; C139-V175 PolarHBondContact O-N 3.46Å
140	F	92.9	Very high	89.8	Confident	14 Å²	14	53 Å²	53	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	141.3	176.8	-69.1	-84.4	0	0	0	111.6	I138 F143 L149 Y152 V153 V156 V163 V175 K183	I138-F140 HydrophobicContact CG2-CD2 4.28Å; I138-F140 HydrophobicContact CG2-CE1 4.5Å; I138-F140 HydrophobicContact CG2-CE2 4.07Å; I138-F140 HydrophobicContact CG2-CZ 4.19Å; F140-F143 HydrophobicContact CB-CD2 4.06Å; F140-F143 HydrophobicContact CB-CE2 4.32Å; F140-F143 HydrophobicContact CD1-CD2 4.13Å; F140-F143 AromaticContact CD1-CE2 3.76Å; F140-F143 HydrophobicContact CD1-CE2 3.76Å; F140-F143 HydrophobicContact CD1-CZ 4.4Å; F140-L149 HydrophobicContact CB-CD1 3.5Å; F140-L149 HydrophobicContact CD1-CD1 3.85Å; F140-L149 HydrophobicContact CD2-CD1 3.77Å; F140-L149 HydrophobicContact CE2-CD1 4.44Å; F140-L149 HydrophobicContact CG-CD1 3.43Å; F140-L149 VanDerWaalsContact CG-CD1 3.43Å; F140-Y152 HydrophobicContact CE1-CD2 4.22Å; F140-Y152 HydrophobicContact CE1-CG 4.38Å; F140-V153 HydrophobicContact CD2-CG2 4.05Å; F140-V153 HydrophobicContact CE2-CG2 3.66Å; F140-V153 HydrophobicContact CZ-CG2 4.48Å; F140-V156 HydrophobicContact CZ-CG2 4.15Å; F140-V163 HydrophobicContact CD2-CG1 3.69Å; F140-V163 HydrophobicContact CE2-CG1 3.72Å; F140-V163 HydrophobicContact CE2-CG2 3.95Å; F140-V175 CarbonylContact C-O 3.54Å; F140-V175 WeakPolarHBondContact CA-O 3.14Å; F140-V175 HydrophobicContact CD1-CB 3.79Å; F140-V175 HydrophobicContact CD1-CG1 3.92Å; F140-V175 HydrophobicContact CE1-CB 3.88Å; F140-V175 HydrophobicContact CE1-CG1 3.88Å; F140-V175 HydrophobicContact CE1-CG2 4.37Å; F140-K183 WeakPolarHBondContact O-CD 3.39Å; F140-K183 PolarHBondContact O-NZ 3.03Å
141	A	87.8	Confident	89.9	Confident	3 Å²	3	60.6 Å²	60.6	3%	0.025	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	136.2	-177.9	0	0	0	0	0	111.8	F143 V174 V175 A176 N177 K183	A141-F143 VanDerWaalsContact O-CD2 3.29Å; A141-F143 WeakPolarHBondContact O-CD2 3.37Å; A141-F143 WeakPolarHBondContact O-CE2 3.31Å; A141-F143 PolarHBondContact O-N 3.05Å; A141-V174 HydrophobicContact CB-CG1 3.89Å; A141-V175 PolarHBondContact N-O 2.93Å; A141-A176 HydrophobicContact CB-CB 4.02Å; A141-A176 VanDerWaalsContact O-CA 3.28Å; A141-A176 WeakPolarHBondContact O-CA 3.42Å; A141-N177 PolarHBondContact O-N 2.93Å; A141-K183 HydrophobicContact CB-CB 3.76Å; A141-K183 HydrophobicContact CB-CD 4.19Å
142	G	82.5	Confident	90	Very high	34 Å²	34	59.6 Å²	59.6	35%	0.351	31%	0.305	S	S	.	.	S	Bend	trans	77.4	14.2	171.7	0	0	0	0	0	116.9
143	F	87	Confident	90.1	Very high	35 Å²	35	61 Å²	61	15%	0.154	31%	0.314	C	S	.	.			trans	-93.4	116.9	174.5	-64	-86.2	0	0	0	110.4	F140 A141 L149 Y152 V175 N177 E197	F140-F143 HydrophobicContact CB-CD2 4.06Å; F140-F143 HydrophobicContact CB-CE2 4.32Å; F140-F143 HydrophobicContact CD1-CD2 4.13Å; F140-F143 AromaticContact CD1-CE2 3.76Å; F140-F143 HydrophobicContact CD1-CE2 3.76Å; F140-F143 HydrophobicContact CD1-CZ 4.4Å; A141-F143 VanDerWaalsContact O-CD2 3.29Å; A141-F143 WeakPolarHBondContact O-CD2 3.37Å; A141-F143 WeakPolarHBondContact O-CE2 3.31Å; A141-F143 PolarHBondContact O-N 3.05Å; F143-L149 HydrophobicContact CB-CD1 4.44Å; F143-L149 HydrophobicContact CD2-CD1 4.45Å; F143-Y152 HydrophobicContact CD1-CE2 4.26Å; F143-Y152 HydrophobicContact CE1-CD2 4.19Å; F143-Y152 AromaticContact CE1-CE2 3.74Å; F143-Y152 HydrophobicContact CE1-CE2 3.74Å; F143-Y152 HydrophobicContact CZ-CE2 4.38Å; F143-V175 HydrophobicContact CE2-CG1 4.13Å; F143-V175 WeakPolarHBondContact CE2-O 3.27Å; F143-V175 HydrophobicContact CZ-CG1 3.97Å; F143-N177 HydrophobicContact CD1-CB 4.19Å; F143-N177 HydrophobicContact CE1-CB 3.83Å; F143-N177 HydrophobicContact CE2-CB 4.39Å; F143-N177 HydrophobicContact CZ-CB 3.95Å; F143-E197 HydrophobicContact CE1-CB 4.19Å; F143-E197 WeakPolarHBondContact CE1-OE2 3.27Å; F143-E197 HydrophobicContact CZ-CB 4.11Å
144	S	83.7	Confident	90	Very high	129 Å²	129	62.8 Å²	62.8	90%	0.902	32%	0.323	S	S	*	.			trans	-86.1	-33	176	50.7	0	0	0	0	112.7	K146	S144-K146 PolarHBondContact O-N 3.13Å
145	D	88.6	Confident	90.3	Very high	74 Å²	74	58 Å²	58	40%	0.396	30%	0.303	S	S	.	.			trans	-81	112.2	178.4	178.2	29.7	0	0	0	112.2	K147 T148 L149	D145-K147 VanDerWaalsContact C-N 3.32Å; D145-K147 PolarHBondContact O-N 3.41Å; D145-K147 PolarHBondContact OD1-N 3.02Å; D145-T148 VanDerWaalsContact OD2-CB 3.23Å; D145-T148 WeakPolarHBondContact OD2-CB 3.36Å; D145-T148 PolarHBondContact OD2-N 2.97Å; D145-T148 PolarHBondContact OD2-OG1 3.44Å; D145-L149 PolarHBondContact O-N 2.89Å; D145-L149 VanDerWaalsContact O-N 3.15Å
146	K	88.5	Confident	90.5	Very high	167 Å²	167	51.6 Å²	51.6	73%	0.726	27%	0.269	S	S	*	.	H	α-helix	trans	-63.8	-34.3	178.3	-172	177.5	178.7	-177.3	0	112.5	S144 L149 V150	S144-K146 PolarHBondContact O-N 3.13Å; K146-L149 PolarHBondContact O-N 3.09Å; K146-V150 VanDerWaalsContact O-CG2 3.31Å; K146-V150 WeakPolarHBondContact O-CG2 3.31Å; K146-V150 PolarHBondContact O-N 2.77Å
147	K	90.2	Very high	90.5	Very high	176 Å²	176	53.4 Å²	53.4	77%	0.765	28%	0.277	S	S	*	.	H	α-helix	trans	-67.8	-47.4	-177.4	-69.4	-177	180	179.2	0	111	D145 L149 V150 R151	D145-K147 VanDerWaalsContact C-N 3.32Å; D145-K147 PolarHBondContact O-N 3.41Å; D145-K147 PolarHBondContact OD1-N 3.02Å; K147-L149 VanDerWaalsContact C-N 3.33Å; K147-L149 PolarHBondContact O-N 3.39Å; K147-V150 PolarHBondContact O-N 3.37Å; K147-R151 PolarHBondContact O-N 2.81Å; K147-R151 VanDerWaalsContact O-N 3.14Å
148	T	90	Very high	90.5	Very high	48 Å²	48	53.2 Å²	53.2	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-42.4	175.2	-60.4	0	0	0	0	111.5	D145 V150 R151 Y152	D145-T148 VanDerWaalsContact OD2-CB 3.23Å; D145-T148 WeakPolarHBondContact OD2-CB 3.36Å; D145-T148 PolarHBondContact OD2-N 2.97Å; D145-T148 PolarHBondContact OD2-OG1 3.44Å; T148-V150 PolarHBondContact O-N 3.2Å; T148-R151 WeakPolarHBondContact O-CB 3.45Å; T148-R151 PolarHBondContact O-N 2.62Å; T148-Y152 HydrophobicContact CG2-CD2 4.06Å; T148-Y152 HydrophobicContact CG2-CE1 4.19Å; T148-Y152 HydrophobicContact CG2-CE2 3.42Å; T148-Y152 VanDerWaalsContact CG2-CE2 3.42Å; T148-Y152 VanDerWaalsContact CG2-CZ 3.49Å; T148-Y152 PolarHBondContact O-N 3.43Å
149	L	90.4	Very high	90.5	Very high	51 Å²	51	53.2 Å²	53.2	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-45.5	177.9	-178.3	62.9	0	0	0	112.6	F140 F143 D145 K146 K147 R151 Y152 V153	F140-L149 HydrophobicContact CB-CD1 3.5Å; F140-L149 HydrophobicContact CD1-CD1 3.85Å; F140-L149 HydrophobicContact CD2-CD1 3.77Å; F140-L149 HydrophobicContact CE2-CD1 4.44Å; F140-L149 HydrophobicContact CG-CD1 3.43Å; F140-L149 VanDerWaalsContact CG-CD1 3.43Å; F143-L149 HydrophobicContact CB-CD1 4.44Å; F143-L149 HydrophobicContact CD2-CD1 4.45Å; D145-L149 PolarHBondContact O-N 2.89Å; D145-L149 VanDerWaalsContact O-N 3.15Å; K146-L149 PolarHBondContact O-N 3.09Å; K147-L149 VanDerWaalsContact C-N 3.33Å; K147-L149 PolarHBondContact O-N 3.39Å; L149-R151 VanDerWaalsContact C-N 3.31Å; L149-R151 PolarHBondContact O-N 3.49Å; L149-Y152 PolarHBondContact O-N 3.42Å; L149-V153 HydrophobicContact CD1-CG2 4.46Å; L149-V153 VanDerWaalsContact O-CG2 3.26Å; L149-V153 WeakPolarHBondContact O-CG2 3.4Å; L149-V153 PolarHBondContact O-N 2.86Å
150	V	91.3	Very high	90.4	Very high	73 Å²	73	53.6 Å²	53.6	44%	0.442	28%	0.278	S	S	.	.	H	α-helix	trans	-59.1	-44.9	176.9	171.1	0	0	0	0	110.5	K146 K147 T148 Y152 V153 D154	K146-V150 VanDerWaalsContact O-CG2 3.31Å; K146-V150 WeakPolarHBondContact O-CG2 3.31Å; K146-V150 PolarHBondContact O-N 2.77Å; K147-V150 PolarHBondContact O-N 3.37Å; T148-V150 PolarHBondContact O-N 3.2Å; V150-Y152 PolarHBondContact O-N 2.68Å; V150-V153 WeakPolarHBondContact O-CB 3.31Å; V150-V153 PolarHBondContact O-N 2.78Å; V150-D154 PolarHBondContact O-N 3.48Å
151	R	92.3	Very high	90.3	Very high	161 Å²	161	53.3 Å²	53.3	61%	0.608	28%	0.279	S	S	*	.	H	α-helix	trans	-56.9	-47.2	175.8	-179.2	-179.2	175.4	-178.5	-1.5	112.1	K147 T148 L149 V153 D154 L155	K147-R151 PolarHBondContact O-N 2.81Å; K147-R151 VanDerWaalsContact O-N 3.14Å; T148-R151 WeakPolarHBondContact O-CB 3.45Å; T148-R151 PolarHBondContact O-N 2.62Å; L149-R151 VanDerWaalsContact C-N 3.31Å; L149-R151 PolarHBondContact O-N 3.49Å; R151-V153 PolarHBondContact O-N 3.23Å; R151-D154 PolarHBondContact O-N 3.33Å; R151-L155 WeakPolarHBondContact O-CG 3.4Å; R151-L155 PolarHBondContact O-N 2.89Å
152	Y	93.2	Very high	90.5	Very high	14 Å²	14	54.8 Å²	54.8	6%	0.055	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-38.6	178.6	-64.8	-27.4	0	0	0	112.9	F140 F143 T148 L149 V150 D154 L155 V156 E197 L201	F140-Y152 HydrophobicContact CE1-CD2 4.22Å; F140-Y152 HydrophobicContact CE1-CG 4.38Å; F143-Y152 HydrophobicContact CD1-CE2 4.26Å; F143-Y152 HydrophobicContact CE1-CD2 4.19Å; F143-Y152 AromaticContact CE1-CE2 3.74Å; F143-Y152 HydrophobicContact CE1-CE2 3.74Å; F143-Y152 HydrophobicContact CZ-CE2 4.38Å; T148-Y152 HydrophobicContact CG2-CD2 4.06Å; T148-Y152 HydrophobicContact CG2-CE1 4.19Å; T148-Y152 HydrophobicContact CG2-CE2 3.42Å; T148-Y152 VanDerWaalsContact CG2-CE2 3.42Å; T148-Y152 VanDerWaalsContact CG2-CZ 3.49Å; T148-Y152 PolarHBondContact O-N 3.43Å; L149-Y152 PolarHBondContact O-N 3.42Å; V150-Y152 PolarHBondContact O-N 2.68Å; Y152-D154 VanDerWaalsContact C-N 3.32Å; Y152-D154 PolarHBondContact O-N 2.85Å; Y152-L155 HydrophobicContact CD1-CD1 4.47Å; Y152-L155 PolarHBondContact O-N 3.45Å; Y152-V156 VanDerWaalsContact O-CG2 3.3Å; Y152-V156 WeakPolarHBondContact O-CG2 3.5Å; Y152-V156 PolarHBondContact O-N 3.42Å; Y152-E197 HydrophobicContact CE2-CB 3.89Å; Y152-E197 VanDerWaalsContact CE2-OE2 3.24Å; Y152-E197 WeakPolarHBondContact CE2-OE2 3.42Å; Y152-E197 VanDerWaalsContact CZ-OE2 3.31Å; Y152-E197 PolarHBondContact OH-OE2 2.83Å; Y152-L201 HydrophobicContact CD1-CD2 4.45Å; Y152-L201 HydrophobicContact CE1-CD1 4.24Å; Y152-L201 HydrophobicContact CE1-CD2 3.89Å; Y152-L201 HydrophobicContact CE1-CG 4.08Å
153	V	92.9	Very high	91	Very high	32 Å²	32	54.6 Å²	54.6	19%	0.194	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-44.6	175	171.3	0	0	0	0	110.8	F140 L149 V150 R151 V156 H157 V163	F140-V153 HydrophobicContact CD2-CG2 4.05Å; F140-V153 HydrophobicContact CE2-CG2 3.66Å; F140-V153 HydrophobicContact CZ-CG2 4.48Å; L149-V153 HydrophobicContact CD1-CG2 4.46Å; L149-V153 VanDerWaalsContact O-CG2 3.26Å; L149-V153 WeakPolarHBondContact O-CG2 3.4Å; L149-V153 PolarHBondContact O-N 2.86Å; V150-V153 WeakPolarHBondContact O-CB 3.31Å; V150-V153 PolarHBondContact O-N 2.78Å; R151-V153 PolarHBondContact O-N 3.23Å; V153-V156 PolarHBondContact O-N 3.19Å; V153-H157 WeakPolarHBondContact CG1-CE1 3.32Å; V153-H157 PolarHBondContact O-N 3.36Å; V153-H157 PolarHBondContact O-ND1 3.41Å; V153-V163 HydrophobicContact CG1-CB 4.49Å; V153-V163 HydrophobicContact CG1-CG2 4.27Å; V153-V163 HydrophobicContact CG2-CG1 4.23Å; V153-V163 HydrophobicContact CG2-CG2 4.49Å
154	D	91.8	Very high	91.1	Very high	37 Å²	37	58.6 Å²	58.6	20%	0.198	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-46.3	177.8	-68	-21.4	0	0	0	111.3	V150 R151 Y152 V156 H157 Y158	V150-D154 PolarHBondContact O-N 3.48Å; R151-D154 PolarHBondContact O-N 3.33Å; Y152-D154 VanDerWaalsContact C-N 3.32Å; Y152-D154 PolarHBondContact O-N 2.85Å; D154-V156 VanDerWaalsContact C-N 3.34Å; D154-V156 PolarHBondContact O-N 3.14Å; D154-H157 PolarHBondContact O-N 3Å; D154-H157 VanDerWaalsContact O-N 3.15Å; D154-Y158 HydrophobicContact CB-CE1 4.44Å; D154-Y158 HydrophobicContact CB-CE2 3.97Å; D154-Y158 VanDerWaalsContact O-CD1 3.32Å; D154-Y158 WeakPolarHBondContact O-CD1 3.31Å; D154-Y158 WeakPolarHBondContact O-CD2 3.31Å; D154-Y158 PolarHBondContact O-N 2.99Å
155	L	93.5	Very high	91.2	Very high	13 Å²	13	63 Å²	63	7%	0.068	29%	0.292	C	S	.	.	H	α-helix	trans	-57.9	-43.6	176.2	-66.3	-177.3	0	0	0	112.5	R151 Y152 H157 Y158 M159 V200 L201 W204	R151-L155 WeakPolarHBondContact O-CG 3.4Å; R151-L155 PolarHBondContact O-N 2.89Å; Y152-L155 HydrophobicContact CD1-CD1 4.47Å; Y152-L155 PolarHBondContact O-N 3.45Å; L155-H157 VanDerWaalsContact C-N 3.33Å; L155-H157 PolarHBondContact O-N 3.26Å; L155-Y158 HydrophobicContact CD2-CD2 4.28Å; L155-Y158 PolarHBondContact O-N 3.33Å; L155-M159 HydrophobicContact CB-CE 4.33Å; L155-M159 VanDerWaalsContact O-CE 3.29Å; L155-M159 WeakPolarHBondContact O-CE 3.33Å; L155-M159 WeakPolarHBondContact O-CG 3.32Å; L155-M159 PolarHBondContact O-N 2.93Å; L155-M159 VanDerWaalsContact O-N 3.1Å; L155-V200 HydrophobicContact CB-CG1 4.13Å; L155-L201 HydrophobicContact CD1-CD2 3.99Å; L155-W204 HydrophobicContact CD1-CG 4.44Å; L155-W204 HydrophobicContact CD2-CD2 3.63Å; L155-W204 HydrophobicContact CD2-CE3 4.13Å; L155-W204 HydrophobicContact CD2-CG 3.89Å; L155-W204 HydrophobicContact CD2-CZ2 4.09Å
156	V	93	Very high	91	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-43.7	177.2	171.6	0	0	0	0	110.9	M133 I138 F140 Y152 V153 D154 M159 G160 G161 V163 V200	M133-V156 HydrophobicContact SD-CB 4.4Å; M133-V156 HydrophobicContact SD-CG1 4.2Å; M133-V156 HydrophobicContact SD-CG2 4.04Å; I138-V156 HydrophobicContact CD1-CB 4.5Å; I138-V156 HydrophobicContact CD1-CG1 3.92Å; I138-V156 HydrophobicContact CD1-CG2 3.68Å; F140-V156 HydrophobicContact CZ-CG2 4.15Å; Y152-V156 VanDerWaalsContact O-CG2 3.3Å; Y152-V156 WeakPolarHBondContact O-CG2 3.5Å; Y152-V156 PolarHBondContact O-N 3.42Å; V153-V156 PolarHBondContact O-N 3.19Å; D154-V156 VanDerWaalsContact C-N 3.34Å; D154-V156 PolarHBondContact O-N 3.14Å; V156-M159 PolarHBondContact O-N 2.85Å; V156-G160 PolarHBondContact O-N 3.26Å; V156-G161 PolarHBondContact O-N 3.26Å; V156-V163 HydrophobicContact CB-CG2 3.96Å; V156-V163 HydrophobicContact CG1-CG2 3.66Å; V156-V200 HydrophobicContact CG2-CG1 3.86Å; V156-V200 HydrophobicContact CG2-CG2 4.27Å
157	H	92.3	Very high	90.9	Very high	40 Å²	40	58 Å²	58	19%	0.185	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-41	176.5	-68	148.1	0	0	0	112.2	R126 V153 D154 L155 M159 G160	R126-H157 PolarHBondContact NH1-CE1 2.8Å; R126-H157 PolarHBondContact NH1-NE2 3.42Å; R126-H157 VanDerWaalsContact NH1-NE2 3.19Å; V153-H157 WeakPolarHBondContact CG1-CE1 3.32Å; V153-H157 PolarHBondContact O-N 3.36Å; V153-H157 PolarHBondContact O-ND1 3.41Å; D154-H157 PolarHBondContact O-N 3Å; D154-H157 VanDerWaalsContact O-N 3.15Å; L155-H157 VanDerWaalsContact C-N 3.33Å; L155-H157 PolarHBondContact O-N 3.26Å; H157-M159 PolarHBondContact O-N 3.19Å; H157-G160 PolarHBondContact O-N 2.9Å
158	Y	93.2	Very high	90.6	Very high	17 Å²	17	52.3 Å²	52.3	7%	0.067	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-24.3	177.1	-58.6	-21.6	0	0	0	112.9	F90 F95 P127 Y129 C130 D154 L155 W204	F90-Y158 HydrophobicContact CB-CD2 4.25Å; F90-Y158 HydrophobicContact CB-CE2 4.19Å; F90-Y158 AromaticContact CD2-CD1 3.78Å; F90-Y158 HydrophobicContact CD2-CD1 3.78Å; F90-Y158 AromaticContact CD2-CD2 3.78Å; F90-Y158 HydrophobicContact CD2-CD2 3.78Å; F90-Y158 HydrophobicContact CD2-CE1 4.21Å; F90-Y158 HydrophobicContact CD2-CE2 4.2Å; F90-Y158 AromaticContact CD2-CG 3.57Å; F90-Y158 HydrophobicContact CD2-CG 3.57Å; F90-Y158 HydrophobicContact CE2-CD1 4.08Å; F90-Y158 HydrophobicContact CE2-CG 4.1Å; F95-Y158 HydrophobicContact CZ-CE1 4.11Å; F95-Y158 HydrophobicContact CZ-CE2 4.31Å; F95-Y158 AromaticContact CZ-CZ 3.67Å; F95-Y158 WeakPolarHBondContact CZ-OH 3.23Å; P127-Y158 HydrophobicContact CB-CD1 3.91Å; P127-Y158 HydrophobicContact CB-CE1 3.8Å; P127-Y158 HydrophobicContact CG-CE1 4.05Å; Y129-Y158 WeakPolarHBondContact CB-O 3.19Å; Y129-Y158 PolarHBondContact N-O 3.49Å; C130-Y158 PolarHBondContact N-O 3.46Å; D154-Y158 HydrophobicContact CB-CE1 4.44Å; D154-Y158 HydrophobicContact CB-CE2 3.97Å; D154-Y158 VanDerWaalsContact O-CD1 3.32Å; D154-Y158 WeakPolarHBondContact O-CD1 3.31Å; D154-Y158 WeakPolarHBondContact O-CD2 3.31Å; D154-Y158 PolarHBondContact O-N 2.99Å; L155-Y158 HydrophobicContact CD2-CD2 4.28Å; L155-Y158 PolarHBondContact O-N 3.33Å; Y158-W204 VanDerWaalsContact CB-CZ3 3.47Å; Y158-W204 AromaticContact CD2-CH2 3.84Å; Y158-W204 HydrophobicContact CD2-CH2 3.84Å; Y158-W204 HydrophobicContact CD2-CZ2 4.42Å; Y158-W204 HydrophobicContact CD2-CZ3 4.21Å; Y158-W204 HydrophobicContact CG-CH2 4.26Å; Y158-W204 HydrophobicContact CG-CZ3 4.36Å
159	M	92.9	Very high	90.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	8.3	174.4	-64.2	-176.9	-74.6	0	0	113.5	C130 N131 A132 M133 L155 V156 H157 G161 V200 T203 W204	C130-M159 CarbonylContact O-C 3.57Å; C130-M159 VanDerWaalsContact O-CA 3.31Å; C130-M159 WeakPolarHBondContact O-CA 3.36Å; C130-M159 VanDerWaalsContact O-O 3.1Å; N131-M159 CarbonylContact C-O 3.55Å; A132-M159 HydrophobicContact CB-CB 4.43Å; A132-M159 PolarHBondContact N-O 3.27Å; M133-M159 CarbonylContact C-O 3.38Å; M133-M159 WeakPolarHBondContact CA-O 3.37Å; M133-M159 HydrophobicContact CB-CB 3.92Å; M133-M159 HydrophobicContact CE-CE 3.67Å; M133-M159 HydrophobicContact CE-SD 4.45Å; M133-M159 HydrophobicContact CG-CB 3.96Å; M133-M159 HydrophobicContact CG-CE 4.26Å; M133-M159 HydrophobicContact CG-SD 4.39Å; M133-M159 PolarHBondContact N-O 3.35Å; M133-M159 HydrophobicContact SD-CB 4.46Å; M133-M159 HydrophobicContact SD-CE 3.58Å; M133-M159 VanDerWaalsContact SD-CE 3.58Å; M133-M159 HydrophobicContact SD-SD 4.45Å; L155-M159 HydrophobicContact CB-CE 4.33Å; L155-M159 VanDerWaalsContact O-CE 3.29Å; L155-M159 WeakPolarHBondContact O-CE 3.33Å; L155-M159 WeakPolarHBondContact O-CG 3.32Å; L155-M159 PolarHBondContact O-N 2.93Å; L155-M159 VanDerWaalsContact O-N 3.1Å; V156-M159 PolarHBondContact O-N 2.85Å; H157-M159 PolarHBondContact O-N 3.19Å; M159-G161 PolarHBondContact O-N 3.11Å; M159-V200 HydrophobicContact CE-CG1 3.93Å; M159-T203 HydrophobicContact CE-CG2 4.45Å; M159-T203 HydrophobicContact SD-CG2 3.5Å; M159-T203 VanDerWaalsContact SD-CG2 3.5Å; M159-W204 HydrophobicContact CE-CB 4.36Å; M159-W204 HydrophobicContact CG-CE3 3.65Å; M159-W204 HydrophobicContact CG-CZ3 4.05Å; M159-W204 HydrophobicContact SD-CB 4.11Å; M159-W204 HydrophobicContact SD-CE3 4.02Å
160	G	89.7	Confident	90.2	Very high	7 Å²	7	57 Å²	57	7%	0.072	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	2.2	175.9	0	0	0	0	0	115.6	V156 H157	V156-G160 PolarHBondContact O-N 3.26Å; H157-G160 PolarHBondContact O-N 2.9Å
161	G	91.9	Very high	90.1	Very high	9 Å²	9	53.6 Å²	53.6	9%	0.093	26%	0.259	C	S	.	.			trans	-78.6	171.9	176.1	0	0	0	0	0	113.4	M133 V136 V156 M159	M133-G161 WeakPolarHBondContact O-CA 3.49Å; M133-G161 PolarHBondContact O-N 2.97Å; V136-G161 WeakPolarHBondContact O-CA 3.3Å; V156-G161 PolarHBondContact O-N 3.26Å; M159-G161 PolarHBondContact O-N 3.11Å
162	S	91.6	Very high	90	Very high	34 Å²	34	48.1 Å²	48.1	24%	0.238	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.8	175.4	80.1	0	0	0	0	111.7	V136 T137 I138	V136-S162 PolarHBondContact O-N 2.95Å; T137-S162 CarbonylContact C-O 3.52Å; T137-S162 WeakPolarHBondContact CA-O 3.43Å; T137-S162 WeakPolarHBondContact CG2-OG 3.21Å; T137-S162 PolarHBondContact OG1-OG 3.5Å; I138-S162 PolarHBondContact N-O 3.36Å
163	V	92.5	Very high	89.9	Confident	30 Å²	30	48.2 Å²	48.2	18%	0.182	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.7	179.7	-175.2	0	0	0	0	110.3	I138 F140 V153 V156	I138-V163 CarbonylContact O-C 3.54Å; I138-V163 WeakPolarHBondContact O-CA 3.25Å; F140-V163 HydrophobicContact CD2-CG1 3.69Å; F140-V163 HydrophobicContact CE2-CG1 3.72Å; F140-V163 HydrophobicContact CE2-CG2 3.95Å; V153-V163 HydrophobicContact CG1-CB 4.49Å; V153-V163 HydrophobicContact CG1-CG2 4.27Å; V153-V163 HydrophobicContact CG2-CG1 4.23Å; V153-V163 HydrophobicContact CG2-CG2 4.49Å; V156-V163 HydrophobicContact CB-CG2 3.96Å; V156-V163 HydrophobicContact CG1-CG2 3.66Å
164	R	90.2	Very high	89.9	Confident	118 Å²	118	46.7 Å²	46.7	45%	0.445	24%	0.235	S	C	.	.			trans	-112.7	136	173.9	-61.6	-65.4	-174.4	-131	3.4	110.5	T137 I138 C139 V171	T137-R164 HydrophobicContact CG2-CG 3.56Å; I138-R164 PolarHBondContact O-N 2.64Å; C139-R164 PolarHBondContact SG-O 2.87Å; C139-R164 VanDerWaalsContact SG-O 3.32Å; R164-V171 HydrophobicContact CB-CG2 4.19Å; R164-V171 HydrophobicContact CG-CG2 4.32Å
165	R	86	Confident	90	Very high	222 Å²	222	45 Å²	45	84%	0.838	23%	0.226	S	C	*	.	S	Bend	trans	-65.9	-43.7	177.5	-176.7	178	-179.8	-179.5	-0.3	111.9	K183	R165-K183 WeakPolarHBondContact O-CE 3.12Å; R165-K183 PolarHBondContact O-NZ 2.93Å
166	N	84	Confident	89.9	Confident	107 Å²	107	44.3 Å²	44.3	57%	0.572	22%	0.223	S	C	*	.	S	Bend	trans	-107	150.8	179.9	-64.9	-21.2	0	0	0	110.1	T168	N166-T168 PolarHBondContact O-N 3.35Å
167	F	85.5	Confident	89.7	Confident	28 Å²	28	47.2 Å²	47.2	12%	0.123	24%	0.238	C	C	.	.			trans	-72.4	125.9	173.9	-173.9	-99.3	0	0	0	109.1	C139 V171 V174 L186 A187 M190 K192	C139-F167 HydrophobicContact CB-CD2 4.46Å; F167-V171 HydrophobicContact CD2-CB 4.11Å; F167-V171 HydrophobicContact CD2-CG1 3.99Å; F167-V171 HydrophobicContact CD2-CG2 4.34Å; F167-V171 HydrophobicContact CE2-CB 4.04Å; F167-V171 HydrophobicContact CE2-CG1 3.89Å; F167-V174 HydrophobicContact CD2-CG2 3.62Å; F167-V174 HydrophobicContact CE2-CG2 3.55Å; F167-L186 HydrophobicContact CD1-CB 3.73Å; F167-L186 HydrophobicContact CD1-CD1 4.34Å; F167-L186 HydrophobicContact CE1-CB 3.89Å; F167-L186 HydrophobicContact CG-CB 4.38Å; F167-A187 HydrophobicContact CE2-CB 3.81Å; F167-A187 HydrophobicContact CZ-CB 4.06Å; F167-M190 HydrophobicContact CE1-CE 4.1Å; F167-M190 HydrophobicContact CE1-CG 4.26Å; F167-M190 HydrophobicContact CE1-SD 3.51Å; F167-M190 VanDerWaalsContact CE1-SD 3.51Å; F167-M190 HydrophobicContact CZ-CB 4.47Å; F167-M190 HydrophobicContact CZ-SD 4.14Å; F167-K192 HydrophobicContact CE2-CG 4.31Å; F167-K192 HydrophobicContact CZ-CB 4.47Å; F167-K192 HydrophobicContact CZ-CG 3.89Å
168	T	84.9	Confident	89.5	Confident	58 Å²	58	46.7 Å²	46.7	36%	0.356	24%	0.238	S	C	.	.			trans	-138.5	165.7	-179.4	61.3	0	0	0	0	108.8	N166 S170 V171	N166-T168 PolarHBondContact O-N 3.35Å; T168-S170 PolarHBondContact O-N 3.28Å; T168-S170 VanDerWaalsContact O-N 3.11Å; T168-S170 PolarHBondContact OG1-OG 2.89Å; T168-V171 VanDerWaalsContact O-CB 3.28Å; T168-V171 WeakPolarHBondContact O-CB 3.35Å; T168-V171 WeakPolarHBondContact O-CG2 3.18Å; T168-V171 PolarHBondContact O-N 3.18Å
169	L	83.9	Confident	89.1	Confident	136 Å²	136	46 Å²	46	71%	0.712	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.2	178.2	-65.8	173.5	0	0	0	113.9	V171 M190	L169-V171 PolarHBondContact O-N 3.31Å; L169-M190 HydrophobicContact CD2-CE 4.33Å; L169-M190 HydrophobicContact CD2-SD 3.71Å
170	S	86.9	Confident	88.6	Confident	62 Å²	62	49.7 Å²	49.7	43%	0.434	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17	175.2	72.2	0	0	0	0	113.7	T137 T168 T172	T137-S170 WeakPolarHBondContact CB-O 3.41Å; T168-S170 PolarHBondContact O-N 3.28Å; T168-S170 VanDerWaalsContact O-N 3.11Å; T168-S170 PolarHBondContact OG1-OG 2.89Å; S170-T172 PolarHBondContact O-N 2.86Å
171	V	89.6	Confident	88.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.			trans	-71.3	126.1	178.9	177.8	0	0	0	0	109.1	T137 C139 R164 F167 T168 L169 H173 V174 K192	T137-V171 HydrophobicContact CG2-CG2 4.41Å; C139-V171 HydrophobicContact CB-CG1 3.93Å; C139-V171 HydrophobicContact CB-CG2 4.07Å; R164-V171 HydrophobicContact CB-CG2 4.19Å; R164-V171 HydrophobicContact CG-CG2 4.32Å; F167-V171 HydrophobicContact CD2-CB 4.11Å; F167-V171 HydrophobicContact CD2-CG1 3.99Å; F167-V171 HydrophobicContact CD2-CG2 4.34Å; F167-V171 HydrophobicContact CE2-CB 4.04Å; F167-V171 HydrophobicContact CE2-CG1 3.89Å; T168-V171 VanDerWaalsContact O-CB 3.28Å; T168-V171 WeakPolarHBondContact O-CB 3.35Å; T168-V171 WeakPolarHBondContact O-CG2 3.18Å; T168-V171 PolarHBondContact O-N 3.18Å; L169-V171 PolarHBondContact O-N 3.31Å; V171-H173 WeakPolarHBondContact CG1-O 3.4Å; V171-V174 HydrophobicContact CG1-CG2 4.15Å; V171-K192 WeakPolarHBondContact O-CE 3.16Å
172	T	89.7	Confident	88	Confident	47 Å²	47	54 Å²	54	29%	0.288	28%	0.28	S	S	.	.			trans	-89.9	-40.2	178.4	61.3	0	0	0	0	111.2	T137 S170	T137-T172 PolarHBondContact N-OG1 2.9Å; T137-T172 PolarHBondContact O-N 2.89Å; T137-T172 PolarHBondContact O-OG1 3.49Å; S170-T172 PolarHBondContact O-N 2.86Å
173	H	92.5	Very high	87.8	Confident	16 Å²	16	54.9 Å²	54.9	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.3	-173.9	-61.9	77.5	0	0	0	110	T137 I138 C139 V171 M195 W199	T137-H173 PolarHBondContact O-N 3.33Å; I138-H173 WeakPolarHBondContact CA-O 3.46Å; C139-H173 PolarHBondContact N-O 3.49Å; C139-H173 VanDerWaalsContact N-O 3.15Å; V171-H173 WeakPolarHBondContact CG1-O 3.4Å; H173-M195 HydrophobicContact CB-CG 4.37Å; H173-W199 HydrophobicContact CB-CH2 4.07Å; H173-W199 HydrophobicContact CB-CZ3 4.16Å; H173-W199 AromaticContact CG-CH2 3.88Å
174	V	92	Very high	87.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.2	169.1	171	0	0	0	0	108.7	C139 A141 F167 V171 A176 A187 R193 A194 M195	C139-V174 HydrophobicContact CB-CG2 4.28Å; C139-V174 CarbonylContact O-C 3.47Å; C139-V174 VanDerWaalsContact O-CA 3.31Å; C139-V174 WeakPolarHBondContact O-CA 3.28Å; C139-V174 WeakPolarHBondContact O-CG1 3.48Å; A141-V174 HydrophobicContact CB-CG1 3.89Å; F167-V174 HydrophobicContact CD2-CG2 3.62Å; F167-V174 HydrophobicContact CE2-CG2 3.55Å; V171-V174 HydrophobicContact CG1-CG2 4.15Å; V174-A176 HydrophobicContact CG1-CB 4.25Å; V174-A187 HydrophobicContact CB-CB 3.94Å; V174-A187 HydrophobicContact CG2-CB 3.49Å; V174-A187 VanDerWaalsContact CG2-CB 3.49Å; V174-R193 PolarHBondContact N-O 2.9Å; V174-A194 CarbonylContact O-C 3.54Å; V174-A194 WeakPolarHBondContact O-CA 3.25Å; V174-M195 PolarHBondContact O-N 3.25Å
175	V	93.8	Very high	87.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.2	170.2	177.9	0	0	0	0	107	I138 C139 F140 A141 F143 M195 E197 W199 V200	I138-V175 HydrophobicContact CD1-CG2 4.34Å; I138-V175 HydrophobicContact CG2-CB 4.13Å; I138-V175 HydrophobicContact CG2-CG2 3.63Å; C139-V175 PolarHBondContact O-N 3.46Å; F140-V175 CarbonylContact C-O 3.54Å; F140-V175 WeakPolarHBondContact CA-O 3.14Å; F140-V175 HydrophobicContact CD1-CB 3.79Å; F140-V175 HydrophobicContact CD1-CG1 3.92Å; F140-V175 HydrophobicContact CE1-CB 3.88Å; F140-V175 HydrophobicContact CE1-CG1 3.88Å; F140-V175 HydrophobicContact CE1-CG2 4.37Å; A141-V175 PolarHBondContact N-O 2.93Å; F143-V175 HydrophobicContact CE2-CG1 4.13Å; F143-V175 WeakPolarHBondContact CE2-O 3.27Å; F143-V175 HydrophobicContact CZ-CG1 3.97Å; V175-M195 WeakPolarHBondContact CA-O 3.24Å; V175-M195 HydrophobicContact CG2-CB 4.31Å; V175-E197 HydrophobicContact CG1-CB 4.48Å; V175-W199 HydrophobicContact CG2-CE3 3.95Å; V175-W199 HydrophobicContact CG2-CZ3 4.07Å; V175-V200 HydrophobicContact CG2-CG2 4Å
176	A	91.6	Very high	87.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.3	-173.5	0	0	0	0	0	111.7	A141 V174 Y184 M195 L224	A141-A176 HydrophobicContact CB-CB 4.02Å; A141-A176 VanDerWaalsContact O-CA 3.28Å; A141-A176 WeakPolarHBondContact O-CA 3.42Å; V174-A176 HydrophobicContact CG1-CB 4.25Å; A176-Y184 HydrophobicContact CB-CD2 4.21Å; A176-M195 PolarHBondContact N-O 3.14Å; A176-L224 HydrophobicContact CB-CD2 3.71Å; A176-L224 WeakPolarHBondContact O-CD1 3.41Å
177	N	89.3	Confident	87.2	Confident	60 Å²	60	41.1 Å²	41.1	32%	0.321	22%	0.223	S	C	.	.	S	Bend	trans	-103.1	-3.2	172.8	-164.9	40	0	0	0	113	A141 F143 H228	A141-N177 PolarHBondContact O-N 2.93Å; F143-N177 HydrophobicContact CD1-CB 4.19Å; F143-N177 HydrophobicContact CE1-CB 3.83Å; F143-N177 HydrophobicContact CE2-CB 4.39Å; F143-N177 HydrophobicContact CZ-CB 3.95Å; N177-H228 PolarHBondContact O-CD2 3.45Å; N177-H228 VanDerWaalsContact O-CD2 3.32Å
178	T	87.1	Confident	87	Confident	30 Å²	30	41.7 Å²	41.7	18%	0.184	23%	0.228	C	C	.	.			trans	-155.3	146.3	175.4	178.4	0	0	0	0	109.3	Q180	T178-Q180 VanDerWaalsContact C-N 3.3Å; T178-Q180 PolarHBondContact OG1-N 2.88Å
179	T	85.6	Confident	86.7	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.5	176.1	56.9	0	0	0	0	113	S181 Y184 L224 P226 L230 C302	T179-S181 PolarHBondContact O-N 3.04Å; T179-Y184 HydrophobicContact CG2-CE1 4.08Å; T179-Y184 HydrophobicContact CG2-CE2 3.91Å; T179-Y184 WeakPolarHBondContact O-CD1 3.33Å; T179-L224 HydrophobicContact CG2-CD2 3.8Å; T179-L224 HydrophobicContact CG2-CG 4.38Å; T179-P226 WeakPolarHBondContact CG2-O 3.49Å; T179-L230 WeakPolarHBondContact OG1-CD2 3.43Å; T179-C302 HydrophobicContact CG2-CB 3.99Å
180	Q	83.1	Confident	86.5	Confident	79 Å²	79	40.3 Å²	40.3	37%	0.369	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.4	-177.9	-61.6	-176.9	17.5	0	0	113.9	T178 R185 L230	T178-Q180 VanDerWaalsContact C-N 3.3Å; T178-Q180 PolarHBondContact OG1-N 2.88Å; Q180-R185 PolarHBondContact O-NH2 3.46Å; Q180-L230 HydrophobicContact CG-CD2 3.58Å
181	S	84.4	Confident	86.1	Confident	22 Å²	22	40.6 Å²	40.6	15%	0.154	25%	0.247	C	C	.	.	S	Bend	trans	-68.1	137.2	-176.6	-172.6	0	0	0	0	112.4	T179 K183 Y184 R185	T179-S181 PolarHBondContact O-N 3.04Å; S181-K183 PolarHBondContact O-N 2.68Å; S181-Y184 WeakPolarHBondContact O-CB 3.29Å; S181-Y184 PolarHBondContact O-N 2.88Å; S181-R185 PolarHBondContact O-N 3.42Å; S181-R185 VanDerWaalsContact O-N 3.12Å
182	S	83.9	Confident	85.8	Confident	83 Å²	83	43.7 Å²	43.7	58%	0.58	26%	0.261	S	S	*	.	H	α-helix	trans	-55.8	-37.6	174.6	57.2	0	0	0	0	112.9	Y184 R185 L186	S182-Y184 VanDerWaalsContact C-N 3.34Å; S182-Y184 PolarHBondContact O-N 3.38Å; S182-R185 PolarHBondContact O-N 2.81Å; S182-L186 WeakPolarHBondContact O-CG 3.4Å; S182-L186 PolarHBondContact O-N 3.48Å
183	K	86.4	Confident	85.7	Confident	54 Å²	54	48 Å²	48	24%	0.235	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-35.4	175.8	-68.2	178	173.7	-176.2	0	112.8	F140 A141 R165 S181 A187	F140-K183 WeakPolarHBondContact O-CD 3.39Å; F140-K183 PolarHBondContact O-NZ 3.03Å; A141-K183 HydrophobicContact CB-CB 3.76Å; A141-K183 HydrophobicContact CB-CD 4.19Å; R165-K183 WeakPolarHBondContact O-CE 3.12Å; R165-K183 PolarHBondContact O-NZ 2.93Å; S181-K183 PolarHBondContact O-N 2.68Å; K183-A187 WeakPolarHBondContact O-CB 3.27Å; K183-A187 PolarHBondContact O-N 3.22Å
184	Y	88.2	Confident	85.5	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-48.2	173.9	171.5	-86.5	0	0	0	110.1	A176 T179 S181 S182 L186 A187 V188 A194 L224 C302	A176-Y184 HydrophobicContact CB-CD2 4.21Å; T179-Y184 HydrophobicContact CG2-CE1 4.08Å; T179-Y184 HydrophobicContact CG2-CE2 3.91Å; T179-Y184 WeakPolarHBondContact O-CD1 3.33Å; S181-Y184 WeakPolarHBondContact O-CB 3.29Å; S181-Y184 PolarHBondContact O-N 2.88Å; S182-Y184 VanDerWaalsContact C-N 3.34Å; S182-Y184 PolarHBondContact O-N 3.38Å; Y184-L186 VanDerWaalsContact C-N 3.34Å; Y184-L186 PolarHBondContact O-N 2.92Å; Y184-A187 WeakPolarHBondContact O-CB 3.38Å; Y184-A187 PolarHBondContact O-N 3.49Å; Y184-V188 HydrophobicContact CD1-CG2 4.1Å; Y184-V188 HydrophobicContact CE1-CG2 3.6Å; Y184-V188 HydrophobicContact CE2-CG2 4.13Å; Y184-V188 WeakPolarHBondContact O-CG2 3.46Å; Y184-V188 PolarHBondContact O-N 3.45Å; Y184-A194 HydrophobicContact CD2-CB 3.66Å; Y184-A194 HydrophobicContact CE2-CB 3.41Å; Y184-A194 VanDerWaalsContact CE2-CB 3.41Å; Y184-L224 HydrophobicContact CD2-CD2 4.07Å; Y184-L224 HydrophobicContact CE2-CD2 3.95Å; Y184-C302 HydrophobicContact CE1-CB 3.83Å; Y184-C302 PolarHBondContact OH-N 3.02Å
185	R	84.9	Confident	85.6	Confident	94 Å²	94	47.9 Å²	47.9	36%	0.355	27%	0.274	S	S	.	.	H	α-helix	trans	-60.2	-42.2	178.8	-60	-170.1	-143	-157.6	4	112.5	Q180 S181 S182 A187 V188 G189 E305	Q180-R185 PolarHBondContact O-NH2 3.46Å; S181-R185 PolarHBondContact O-N 3.42Å; S181-R185 VanDerWaalsContact O-N 3.12Å; S182-R185 PolarHBondContact O-N 2.81Å; R185-A187 VanDerWaalsContact C-N 3.32Å; R185-A187 PolarHBondContact O-N 3.22Å; R185-V188 PolarHBondContact O-N 2.85Å; R185-G189 PolarHBondContact O-N 3.29Å; R185-E305 IonicContact CZ-OE2 3.24Å; R185-E305 IonicContact NH1-OE2 3.68Å; R185-E305 PolarHBondContact NH1-OE2 2.99Å
186	L	84.5	Confident	85.6	Confident	90 Å²	90	49.7 Å²	49.7	47%	0.471	28%	0.282	S	S	.	.	H	α-helix	trans	-62.8	-38.6	174.6	-70	172.3	0	0	0	112.2	F167 S182 Y184 M190	F167-L186 HydrophobicContact CD1-CB 3.73Å; F167-L186 HydrophobicContact CD1-CD1 4.34Å; F167-L186 HydrophobicContact CE1-CB 3.89Å; F167-L186 HydrophobicContact CG-CB 4.38Å; S182-L186 WeakPolarHBondContact O-CG 3.4Å; S182-L186 PolarHBondContact O-N 3.48Å; Y184-L186 VanDerWaalsContact C-N 3.34Å; Y184-L186 PolarHBondContact O-N 2.92Å; L186-M190 WeakPolarHBondContact O-CB 3.12Å; L186-M190 WeakPolarHBondContact O-CG 3.28Å; L186-M190 PolarHBondContact O-N 3.37Å; L186-M190 VanDerWaalsContact O-N 3.11Å
187	A	83.6	Confident	85.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-49.7	177	0	0	0	0	0	111.8	F167 V174 K183 Y184 R185 G189 M190 G191 K192	F167-A187 HydrophobicContact CE2-CB 3.81Å; F167-A187 HydrophobicContact CZ-CB 4.06Å; V174-A187 HydrophobicContact CB-CB 3.94Å; V174-A187 HydrophobicContact CG2-CB 3.49Å; V174-A187 VanDerWaalsContact CG2-CB 3.49Å; K183-A187 WeakPolarHBondContact O-CB 3.27Å; K183-A187 PolarHBondContact O-N 3.22Å; Y184-A187 WeakPolarHBondContact O-CB 3.38Å; Y184-A187 PolarHBondContact O-N 3.49Å; R185-A187 VanDerWaalsContact C-N 3.32Å; R185-A187 PolarHBondContact O-N 3.22Å; A187-G189 PolarHBondContact O-N 3.39Å; A187-M190 CarbonylContact O-C 3.53Å; A187-M190 PolarHBondContact O-N 3.11Å; A187-G191 PolarHBondContact O-N 2.91Å; A187-K192 HydrophobicContact CB-CB 4.17Å; A187-K192 PolarHBondContact O-N 3.47Å
188	V	81.7	Confident	85.8	Confident	40 Å²	40	50.4 Å²	50.4	24%	0.242	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-47.6	176.5	171.5	0	0	0	0	110.7	Y184 R185 M190 G191 L301	Y184-V188 HydrophobicContact CD1-CG2 4.1Å; Y184-V188 HydrophobicContact CE1-CG2 3.6Å; Y184-V188 HydrophobicContact CE2-CG2 4.13Å; Y184-V188 WeakPolarHBondContact O-CG2 3.46Å; Y184-V188 PolarHBondContact O-N 3.45Å; R185-V188 PolarHBondContact O-N 2.85Å; V188-M190 PolarHBondContact O-N 3.47Å; V188-G191 PolarHBondContact O-N 2.89Å; V188-L301 HydrophobicContact CG1-CD1 3.9Å; V188-L301 HydrophobicContact CG1-CD2 4.26Å
189	G	77.7	Confident	86.1	Confident	70 Å²	70	49 Å²	49	72%	0.722	28%	0.277	S	S	*	.	H	α-helix	trans	-62.1	-25.3	178.8	0	0	0	0	0	114.4	R185 A187	R185-G189 PolarHBondContact O-N 3.29Å; A187-G189 PolarHBondContact O-N 3.39Å
190	M	81	Confident	86.6	Confident	94 Å²	94	48.9 Å²	48.9	46%	0.463	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	8.7	174.9	-66.3	-166.9	-172.1	0	0	113.7	F167 L169 L186 A187 V188 K192	F167-M190 HydrophobicContact CE1-CE 4.1Å; F167-M190 HydrophobicContact CE1-CG 4.26Å; F167-M190 HydrophobicContact CE1-SD 3.51Å; F167-M190 VanDerWaalsContact CE1-SD 3.51Å; F167-M190 HydrophobicContact CZ-CB 4.47Å; F167-M190 HydrophobicContact CZ-SD 4.14Å; L169-M190 HydrophobicContact CD2-CE 4.33Å; L169-M190 HydrophobicContact CD2-SD 3.71Å; L186-M190 WeakPolarHBondContact O-CB 3.12Å; L186-M190 WeakPolarHBondContact O-CG 3.28Å; L186-M190 PolarHBondContact O-N 3.37Å; L186-M190 VanDerWaalsContact O-N 3.11Å; A187-M190 CarbonylContact O-C 3.53Å; A187-M190 PolarHBondContact O-N 3.11Å; V188-M190 PolarHBondContact O-N 3.47Å; M190-K192 HydrophobicContact CB-CG 4.14Å; M190-K192 PolarHBondContact O-N 3.16Å
191	G	77.8	Confident	87.1	Confident	69 Å²	69	47.5 Å²	47.5	71%	0.711	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	23.2	-178.9	0	0	0	0	0	114.2	A187 V188	A187-G191 PolarHBondContact O-N 2.91Å; V188-G191 PolarHBondContact O-N 2.89Å
192	K	83.6	Confident	87.5	Confident	65 Å²	65	50.9 Å²	50.9	28%	0.283	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-86.4	144.3	175.2	-54	-58.8	-174.3	171.8	0	109.9	F167 V171 A187 M190	F167-K192 HydrophobicContact CE2-CG 4.31Å; F167-K192 HydrophobicContact CZ-CB 4.47Å; F167-K192 HydrophobicContact CZ-CG 3.89Å; V171-K192 WeakPolarHBondContact O-CE 3.16Å; A187-K192 HydrophobicContact CB-CB 4.17Å; A187-K192 PolarHBondContact O-N 3.47Å; M190-K192 HydrophobicContact CB-CG 4.14Å; M190-K192 PolarHBondContact O-N 3.16Å
193	R	86.1	Confident	88	Confident	137 Å²	137	47 Å²	47	52%	0.517	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.1	-179.1	-68.2	-177.6	179.4	-90.1	-3.2	111.6	V174 M195	V174-R193 PolarHBondContact N-O 2.9Å; R193-M195 HydrophobicContact CB-SD 4.16Å
194	A	90	Very high	88.3	Confident	14 Å²	14	45.9 Å²	45.9	12%	0.116	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.5	171.2	0	0	0	0	0	110.1	V174 Y184 T223 L224	V174-A194 CarbonylContact O-C 3.54Å; V174-A194 WeakPolarHBondContact O-CA 3.25Å; Y184-A194 HydrophobicContact CD2-CB 3.66Å; Y184-A194 HydrophobicContact CE2-CB 3.41Å; Y184-A194 VanDerWaalsContact CE2-CB 3.41Å; A194-T223 WeakPolarHBondContact O-CA 3.35Å; A194-L224 HydrophobicContact CB-CB 4.45Å; A194-L224 PolarHBondContact O-N 3.44Å
195	M	92.9	Very high	88.6	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	146.7	-175.4	-53.7	-55	-69.2	0	0	110.7	H173 V174 V175 A176 R193 W199 L222 T223	H173-M195 HydrophobicContact CB-CG 4.37Å; V174-M195 PolarHBondContact O-N 3.25Å; V175-M195 WeakPolarHBondContact CA-O 3.24Å; V175-M195 HydrophobicContact CG2-CB 4.31Å; A176-M195 PolarHBondContact N-O 3.14Å; R193-M195 HydrophobicContact CB-SD 4.16Å; M195-W199 HydrophobicContact CB-CB 4.12Å; M195-W199 HydrophobicContact CB-CD2 4.05Å; M195-W199 HydrophobicContact CB-CE3 3.72Å; M195-W199 HydrophobicContact CB-CG 4.25Å; M195-W199 HydrophobicContact CB-CZ3 4.37Å; M195-W199 HydrophobicContact CE-CB 4.06Å; M195-W199 HydrophobicContact CE-CD2 3.84Å; M195-W199 HydrophobicContact CE-CG 3.56Å; M195-W199 HydrophobicContact CG-CD2 3.94Å; M195-W199 HydrophobicContact CG-CE3 3.72Å; M195-W199 HydrophobicContact CG-CG 4.41Å; M195-W199 HydrophobicContact CG-CH2 4.48Å; M195-W199 HydrophobicContact CG-CZ3 4.01Å; M195-L222 WeakPolarHBondContact CE-O 3.46Å; M195-T223 HydrophobicContact SD-CG2 4.14Å
196	H	93.7	Very high	88.8	Confident	37 Å²	37	50 Å²	50	17%	0.171	27%	0.274	C	S	.	.			trans	-78.1	156.1	169.8	-178.6	-102.5	0	0	0	110.4	S198 W199 L222 L224 H228	H196-S198 VanDerWaalsContact ND1-CB 3.28Å; H196-S198 WeakPolarHBondContact ND1-CB 3.41Å; H196-S198 PolarHBondContact ND1-N 3.44Å; H196-S198 VanDerWaalsContact ND1-N 3.15Å; H196-S198 PolarHBondContact ND1-OG 3.34Å; H196-S198 PolarHBondContact O-N 3.19Å; H196-S198 VanDerWaalsContact O-N 3.11Å; H196-W199 VanDerWaalsContact O-CB 3.28Å; H196-W199 WeakPolarHBondContact O-CB 3.13Å; H196-W199 PolarHBondContact O-N 3Å; H196-L222 PolarHBondContact N-O 2.8Å; H196-L224 HydrophobicContact CB-CD1 4.32Å; H196-H228 AromaticContact CD2-CE1 3.93Å; H196-H228 AromaticContact NE2-CE1 3.8Å
197	E	92.5	Very high	89.1	Confident	47 Å²	47	47.6 Å²	47.6	22%	0.22	26%	0.258	C	S	.	.	H	α-helix	trans	-57.1	-28.2	179.4	55.6	169.4	-153.6	0	0	113.7	F143 Y152 V175 W199 V200 L201	F143-E197 HydrophobicContact CE1-CB 4.19Å; F143-E197 WeakPolarHBondContact CE1-OE2 3.27Å; F143-E197 HydrophobicContact CZ-CB 4.11Å; Y152-E197 HydrophobicContact CE2-CB 3.89Å; Y152-E197 VanDerWaalsContact CE2-OE2 3.24Å; Y152-E197 WeakPolarHBondContact CE2-OE2 3.42Å; Y152-E197 VanDerWaalsContact CZ-OE2 3.31Å; Y152-E197 PolarHBondContact OH-OE2 2.83Å; V175-E197 HydrophobicContact CG1-CB 4.48Å; E197-W199 PolarHBondContact O-N 3.44Å; E197-V200 PolarHBondContact O-N 3.21Å; E197-V200 VanDerWaalsContact O-N 3.12Å; E197-L201 PolarHBondContact O-N 3.25Å
198	S	92.5	Very high	89.3	Confident	28 Å²	28	52 Å²	52	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-22.8	175.9	65.3	0	0	0	0	113.3	H196 L201 K202	H196-S198 VanDerWaalsContact ND1-CB 3.28Å; H196-S198 WeakPolarHBondContact ND1-CB 3.41Å; H196-S198 PolarHBondContact ND1-N 3.44Å; H196-S198 VanDerWaalsContact ND1-N 3.15Å; H196-S198 PolarHBondContact ND1-OG 3.34Å; H196-S198 PolarHBondContact O-N 3.19Å; H196-S198 VanDerWaalsContact O-N 3.11Å; S198-L201 PolarHBondContact O-N 3.46Å; S198-K202 VanDerWaalsContact O-CB 3.31Å; S198-K202 WeakPolarHBondContact O-CB 3.44Å; S198-K202 WeakPolarHBondContact O-CG 3.28Å; S198-K202 PolarHBondContact O-N 3.05Å
199	W	94.7	Very high	89.6	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-44.9	173.9	176.9	60.6	0	0	0	111.6	M133 V136 I138 H173 V175 M195 H196 E197 T203 A214 L222	M133-W199 HydrophobicContact CE-CD2 4.34Å; M133-W199 HydrophobicContact CE-CE3 4.24Å; M133-W199 HydrophobicContact CE-CH2 4.32Å; M133-W199 HydrophobicContact CE-CZ2 4.37Å; M133-W199 HydrophobicContact CE-CZ3 4.24Å; V136-W199 HydrophobicContact CG1-CH2 3.71Å; I138-W199 HydrophobicContact CD1-CE3 4.46Å; I138-W199 HydrophobicContact CD1-CH2 4.15Å; I138-W199 HydrophobicContact CD1-CZ3 3.56Å; I138-W199 HydrophobicContact CG1-CZ3 4.12Å; H173-W199 HydrophobicContact CB-CH2 4.07Å; H173-W199 HydrophobicContact CB-CZ3 4.16Å; H173-W199 AromaticContact CG-CH2 3.88Å; V175-W199 HydrophobicContact CG2-CE3 3.95Å; V175-W199 HydrophobicContact CG2-CZ3 4.07Å; M195-W199 HydrophobicContact CB-CB 4.12Å; M195-W199 HydrophobicContact CB-CD2 4.05Å; M195-W199 HydrophobicContact CB-CE3 3.72Å; M195-W199 HydrophobicContact CB-CG 4.25Å; M195-W199 HydrophobicContact CB-CZ3 4.37Å; M195-W199 HydrophobicContact CE-CB 4.06Å; M195-W199 HydrophobicContact CE-CD2 3.84Å; M195-W199 HydrophobicContact CE-CG 3.56Å; M195-W199 HydrophobicContact CG-CD2 3.94Å; M195-W199 HydrophobicContact CG-CE3 3.72Å; M195-W199 HydrophobicContact CG-CG 4.41Å; M195-W199 HydrophobicContact CG-CH2 4.48Å; M195-W199 HydrophobicContact CG-CZ3 4.01Å; H196-W199 VanDerWaalsContact O-CB 3.28Å; H196-W199 WeakPolarHBondContact O-CB 3.13Å; H196-W199 PolarHBondContact O-N 3Å; E197-W199 PolarHBondContact O-N 3.44Å; W199-T203 WeakPolarHBondContact O-CB 3.46Å; W199-T203 PolarHBondContact O-N 3.41Å; W199-T203 VanDerWaalsContact O-N 3.1Å; W199-T203 PolarHBondContact O-OG1 3.23Å; W199-A214 HydrophobicContact CZ2-CB 3.74Å; W199-A214 PolarHBondContact NE1-O 3.27Å; W199-L222 HydrophobicContact CB-CB 3.94Å; W199-L222 HydrophobicContact CB-CD1 4.42Å
200	V	94.2	Very high	89.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-45.2	177.3	-178.2	0	0	0	0	110.2	M133 L155 V156 M159 V175 E197 T203 W204	M133-V200 HydrophobicContact CE-CB 4.45Å; M133-V200 HydrophobicContact CE-CG1 4.48Å; M133-V200 HydrophobicContact CE-CG2 4.27Å; L155-V200 HydrophobicContact CB-CG1 4.13Å; V156-V200 HydrophobicContact CG2-CG1 3.86Å; V156-V200 HydrophobicContact CG2-CG2 4.27Å; M159-V200 HydrophobicContact CE-CG1 3.93Å; V175-V200 HydrophobicContact CG2-CG2 4Å; E197-V200 PolarHBondContact O-N 3.21Å; E197-V200 VanDerWaalsContact O-N 3.12Å; V200-T203 PolarHBondContact O-N 2.87Å; V200-W204 PolarHBondContact O-N 2.85Å
201	L	94.3	Very high	89.9	Confident	49 Å²	49	53.8 Å²	53.8	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-64.7	-48.1	-178.3	-68.6	173.7	0	0	0	113	Y152 L155 E197 S198 T203 W204 E205	Y152-L201 HydrophobicContact CD1-CD2 4.45Å; Y152-L201 HydrophobicContact CE1-CD1 4.24Å; Y152-L201 HydrophobicContact CE1-CD2 3.89Å; Y152-L201 HydrophobicContact CE1-CG 4.08Å; L155-L201 HydrophobicContact CD1-CD2 3.99Å; E197-L201 PolarHBondContact O-N 3.25Å; S198-L201 PolarHBondContact O-N 3.46Å; L201-T203 VanDerWaalsContact C-N 3.34Å; L201-T203 PolarHBondContact O-N 3.27Å; L201-W204 WeakPolarHBondContact O-CB 3.36Å; L201-W204 PolarHBondContact O-N 2.95Å; L201-W204 VanDerWaalsContact O-N 3.13Å; L201-E205 PolarHBondContact O-N 3.23Å
202	K	93.3	Very high	90.3	Very high	94 Å²	94	51.5 Å²	51.5	41%	0.409	25%	0.247	S	C	.	.	H	α-helix	trans	-69	-31.9	179.2	-73.8	-178.9	170.6	-175.6	0	112.7	S198 W204 E205 K206 L219 L222	S198-K202 VanDerWaalsContact O-CB 3.31Å; S198-K202 WeakPolarHBondContact O-CB 3.44Å; S198-K202 WeakPolarHBondContact O-CG 3.28Å; S198-K202 PolarHBondContact O-N 3.05Å; K202-W204 VanDerWaalsContact C-N 3.29Å; K202-E205 PolarHBondContact O-N 3.49Å; K202-K206 PolarHBondContact O-N 3.31Å; K202-L219 HydrophobicContact CB-CD2 4.02Å; K202-L222 HydrophobicContact CB-CD1 3.96Å; K202-L222 HydrophobicContact CD-CD1 3.53Å; K202-L222 HydrophobicContact CD-CD2 3.93Å; K202-L222 HydrophobicContact CD-CG 4.4Å; K202-L222 HydrophobicContact CG-CD1 4.29Å
203	T	93.7	Very high	90.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-41.9	170.7	-53.6	0	0	0	0	110.2	A132 M133 M159 W199 V200 L201 K206 R207 A214 L219	A132-T203 HydrophobicContact CB-CG2 3.87Å; M133-T203 HydrophobicContact CE-CG2 4.03Å; M133-T203 HydrophobicContact CG-CG2 4.28Å; M159-T203 HydrophobicContact CE-CG2 4.45Å; M159-T203 HydrophobicContact SD-CG2 3.5Å; M159-T203 VanDerWaalsContact SD-CG2 3.5Å; W199-T203 WeakPolarHBondContact O-CB 3.46Å; W199-T203 PolarHBondContact O-N 3.41Å; W199-T203 VanDerWaalsContact O-N 3.1Å; W199-T203 PolarHBondContact O-OG1 3.23Å; V200-T203 PolarHBondContact O-N 2.87Å; L201-T203 VanDerWaalsContact C-N 3.34Å; L201-T203 PolarHBondContact O-N 3.27Å; T203-K206 PolarHBondContact O-N 3.18Å; T203-R207 PolarHBondContact O-N 3.47Å; T203-A214 HydrophobicContact CG2-CB 3.86Å; T203-L219 HydrophobicContact CG2-CD1 4.21Å
204	W	94.1	Very high	90.7	Very high	32 Å²	32	44.3 Å²	44.3	12%	0.121	23%	0.226	C	C	.	.	H	α-helix	trans	-67	-33.3	176.7	-178	-105.2	0	0	0	113.6	F90 Y129 L155 Y158 M159 V200 L201 K202 K206 R207	F90-W204 HydrophobicContact CB-CH2 4.32Å; F90-W204 HydrophobicContact CB-CZ2 4.44Å; F90-W204 HydrophobicContact CD2-CH2 4.28Å; Y129-W204 HydrophobicContact CD2-CH2 4.3Å; Y129-W204 HydrophobicContact CG-CH2 4.14Å; Y129-W204 HydrophobicContact CG-CZ3 4.39Å; L155-W204 HydrophobicContact CD1-CG 4.44Å; L155-W204 HydrophobicContact CD2-CD2 3.63Å; L155-W204 HydrophobicContact CD2-CE3 4.13Å; L155-W204 HydrophobicContact CD2-CG 3.89Å; L155-W204 HydrophobicContact CD2-CZ2 4.09Å; Y158-W204 VanDerWaalsContact CB-CZ3 3.47Å; Y158-W204 AromaticContact CD2-CH2 3.84Å; Y158-W204 HydrophobicContact CD2-CH2 3.84Å; Y158-W204 HydrophobicContact CD2-CZ2 4.42Å; Y158-W204 HydrophobicContact CD2-CZ3 4.21Å; Y158-W204 HydrophobicContact CG-CH2 4.26Å; Y158-W204 HydrophobicContact CG-CZ3 4.36Å; M159-W204 HydrophobicContact CE-CB 4.36Å; M159-W204 HydrophobicContact CG-CE3 3.65Å; M159-W204 HydrophobicContact CG-CZ3 4.05Å; M159-W204 HydrophobicContact SD-CB 4.11Å; M159-W204 HydrophobicContact SD-CE3 4.02Å; V200-W204 PolarHBondContact O-N 2.85Å; L201-W204 WeakPolarHBondContact O-CB 3.36Å; L201-W204 PolarHBondContact O-N 2.95Å; L201-W204 VanDerWaalsContact O-N 3.13Å; K202-W204 VanDerWaalsContact C-N 3.29Å; W204-K206 PolarHBondContact O-N 3.04Å; W204-R207 HydrophobicContact CE3-CB 4.25Å; W204-R207 WeakPolarHBondContact O-CB 3.38Å; W204-R207 VanDerWaalsContact O-CD 3.31Å; W204-R207 WeakPolarHBondContact O-CD 3.43Å; W204-R207 WeakPolarHBondContact O-CG 3.43Å; W204-R207 PolarHBondContact O-N 3.07Å; W204-R207 PolarHBondContact O-NH1 3.41Å
205	E	92.7	Very high	90.7	Very high	133 Å²	133	47.4 Å²	47.4	62%	0.621	24%	0.24	S	C	*	.	H	α-helix	trans	-60.8	-36.3	172.5	-73.1	171.4	-176.8	0	0	111.9	L201 K202 R207	L201-E205 PolarHBondContact O-N 3.23Å; K202-E205 PolarHBondContact O-N 3.49Å; E205-R207 VanDerWaalsContact C-N 3.29Å; E205-R207 PolarHBondContact O-N 2.85Å
206	K	90	Very high	90.4	Very high	52 Å²	52	49 Å²	49	23%	0.226	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	7	177.6	-63.8	-170.9	179.4	-174.5	0	114.2	K202 T203 W204 N208 I209 T212 E218	K202-K206 PolarHBondContact O-N 3.31Å; T203-K206 PolarHBondContact O-N 3.18Å; W204-K206 PolarHBondContact O-N 3.04Å; K206-N208 PolarHBondContact O-N 3.02Å; K206-I209 HydrophobicContact CB-CD1 4.38Å; K206-I209 HydrophobicContact CG-CD1 4.46Å; K206-I209 PolarHBondContact O-N 2.77Å; K206-T212 HydrophobicContact CB-CG2 3.93Å; K206-T212 HydrophobicContact CD-CG2 4.42Å; K206-E218 IonicContact NZ-OE1 3.66Å; K206-E218 PolarHBondContact NZ-OE1 3.49Å; K206-E218 IonicContact NZ-OE2 3.91Å; K206-E218 PolarHBondContact NZ-OE2 2.97Å
207	R	91	Very high	90.1	Very high	38 Å²	38	52.2 Å²	52.2	14%	0.143	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.6	-176.4	73.3	-174	177.8	-78	7	115.5	D89 T109 Y129 T203 W204 E205 I209	D89-R207 IonicContact OD1-CZ 3.8Å; D89-R207 IonicContact OD1-NE 2.94Å; D89-R207 IonicContact OD1-NH2 3.67Å; D89-R207 PolarHBondContact OD1-NH2 2.94Å; T109-R207 WeakPolarHBondContact CB-O 3.39Å; T109-R207 VanDerWaalsContact CG2-O 3.3Å; T109-R207 WeakPolarHBondContact CG2-O 3.44Å; T109-R207 PolarHBondContact OG1-O 3.33Å; Y129-R207 HydrophobicContact CD1-CB 3.86Å; Y129-R207 HydrophobicContact CD1-CG 3.82Å; Y129-R207 HydrophobicContact CE1-CB 4.05Å; Y129-R207 HydrophobicContact CE1-CG 3.58Å; T203-R207 PolarHBondContact O-N 3.47Å; W204-R207 HydrophobicContact CE3-CB 4.25Å; W204-R207 WeakPolarHBondContact O-CB 3.38Å; W204-R207 VanDerWaalsContact O-CD 3.31Å; W204-R207 WeakPolarHBondContact O-CD 3.43Å; W204-R207 WeakPolarHBondContact O-CG 3.43Å; W204-R207 PolarHBondContact O-N 3.07Å; W204-R207 PolarHBondContact O-NH1 3.41Å; E205-R207 VanDerWaalsContact C-N 3.29Å; E205-R207 PolarHBondContact O-N 2.85Å; R207-I209 VanDerWaalsContact C-N 3.32Å
208	N	87.8	Confident	89.9	Confident	92 Å²	92	55.7 Å²	55.7	49%	0.492	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.3	-179.1	-63	-25.8	0	0	0	112.9	Y129 K206 P210	Y129-N208 WeakPolarHBondContact CE1-OD1 3.21Å; Y129-N208 PolarHBondContact OH-OD1 2.62Å; K206-N208 PolarHBondContact O-N 3.02Å; N208-P210 WeakPolarHBondContact O-CD 3.4Å
209	I	88.2	Confident	89.7	Confident	97 Å²	97	54.4 Å²	54.4	50%	0.497	28%	0.283	S	S	.	.	S	Bend	trans	-95.2	111.8	-178.9	-57.6	170.6	0	0	0	107.8	K206 R207 T212	K206-I209 HydrophobicContact CB-CD1 4.38Å; K206-I209 HydrophobicContact CG-CD1 4.46Å; K206-I209 PolarHBondContact O-N 2.77Å; R207-I209 VanDerWaalsContact C-N 3.32Å; I209-T212 WeakPolarHBondContact CB-OG1 3.32Å; I209-T212 WeakPolarHBondContact CG2-OG1 3.39Å; I209-T212 WeakPolarHBondContact O-CB 3.48Å; I209-T212 PolarHBondContact O-N 2.76Å; I209-T212 PolarHBondContact O-OG1 3.45Å
210	P	82	Confident	89.3	Confident	47 Å²	47	56.2 Å²	56.2	31%	0.305	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	145.7	179.2	-22.3	33	0	0	0	111.9	T109 F112 E113 N208 T212	T109-P210 HydrophobicContact CG2-CB 4.4Å; T109-P210 HydrophobicContact CG2-CG 4.35Å; F112-P210 HydrophobicContact CB-CG 4.38Å; E113-P210 HydrophobicContact CG-CB 4.13Å; N208-P210 WeakPolarHBondContact O-CD 3.4Å; P210-T212 PolarHBondContact O-N 3.04Å
211	M	82.7	Confident	89	Confident	98 Å²	98	64.2 Å²	64.2	48%	0.483	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	14.7	177.5	-55.8	-61.7	170.2	0	0	114.9	E113 Q116 A117 S213	E113-M211 HydrophobicContact CB-CE 3.96Å; E113-M211 HydrophobicContact CG-CE 4.11Å; E113-M211 HydrophobicContact CG-SD 4.25Å; E113-M211 VanDerWaalsContact O-CE 3.31Å; E113-M211 WeakPolarHBondContact O-CE 3.46Å; E113-M211 PolarHBondContact OE1-N 3.19Å; Q116-M211 HydrophobicContact CB-CE 3.54Å; A117-M211 HydrophobicContact CB-CE 4.17Å; M211-S213 PolarHBondContact O-N 2.7Å
212	T	86.1	Confident	88.7	Confident	22 Å²	22	63.2 Å²	63.2	14%	0.135	32%	0.322	C	S	.	.			trans	-65.7	130.7	168.6	-60.7	0	0	0	0	109.2	A132 K206 I209 P210	A132-T212 WeakPolarHBondContact CA-O 3.33Å; A132-T212 WeakPolarHBondContact CB-O 3.29Å; K206-T212 HydrophobicContact CB-CG2 3.93Å; K206-T212 HydrophobicContact CD-CG2 4.42Å; I209-T212 WeakPolarHBondContact CB-OG1 3.32Å; I209-T212 WeakPolarHBondContact CG2-OG1 3.39Å; I209-T212 WeakPolarHBondContact O-CB 3.48Å; I209-T212 PolarHBondContact O-N 2.76Å; I209-T212 PolarHBondContact O-OG1 3.45Å; P210-T212 PolarHBondContact O-N 3.04Å
213	S	89.4	Confident	88.5	Confident	51 Å²	51	60.8 Å²	60.8	36%	0.357	32%	0.315	S	S	.	.			trans	-114.3	137	172.8	-179.3	0	0	0	0	111	M211 L215 S216	M211-S213 PolarHBondContact O-N 2.7Å; S213-L215 PolarHBondContact O-N 3.48Å; S213-L215 PolarHBondContact OG-N 3.3Å; S213-S216 WeakPolarHBondContact O-CB 3.12Å; S213-S216 PolarHBondContact O-N 2.84Å; S213-S216 PolarHBondContact O-OG 2.71Å
214	A	88.4	Confident	88.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.3	171.1	0	0	0	0	0	112.9	A132 M133 W199 T203 S216	A132-A214 WeakPolarHBondContact O-CB 3.2Å; A132-A214 PolarHBondContact O-N 3.2Å; M133-A214 HydrophobicContact CE-CB 4.1Å; M133-A214 HydrophobicContact CG-CB 3.67Å; W199-A214 HydrophobicContact CZ2-CB 3.74Å; W199-A214 PolarHBondContact NE1-O 3.27Å; T203-A214 HydrophobicContact CG2-CB 3.86Å; A214-S216 VanDerWaalsContact C-N 3.29Å
215	L	89.6	Confident	88.3	Confident	79 Å²	79	60.8 Å²	60.8	41%	0.414	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	7.1	174.2	-52.8	179.8	0	0	0	112.8	V136 S213 L220	V136-L215 HydrophobicContact CG2-CD2 4.21Å; V136-L215 HydrophobicContact CG2-CG 4.39Å; S213-L215 PolarHBondContact O-N 3.48Å; S213-L215 PolarHBondContact OG-N 3.3Å; L215-L220 HydrophobicContact CD2-CD2 4.39Å; L215-L220 WeakPolarHBondContact O-CD1 3.39Å
216	S	88.5	Confident	88.1	Confident	33 Å²	33	54.5 Å²	54.5	23%	0.231	29%	0.292	C	S	.	.	S	Bend	trans	-64.4	146.1	173.5	57.8	0	0	0	0	111.2	S213 A214 E218 L219 L220	S213-S216 WeakPolarHBondContact O-CB 3.12Å; S213-S216 PolarHBondContact O-N 2.84Å; S213-S216 PolarHBondContact O-OG 2.71Å; A214-S216 VanDerWaalsContact C-N 3.29Å; S216-E218 PolarHBondContact O-N 3.34Å; S216-L219 PolarHBondContact O-N 3.34Å; S216-L220 PolarHBondContact O-N 3.32Å
217	P	86.4	Confident	88.2	Confident	104 Å²	104	52 Å²	52	68%	0.675	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-28	-176.8	-26.6	34.1	0	0	0	114.4	K221	P217-K221 WeakPolarHBondContact O-CG 3.45Å
218	E	88.6	Confident	88.2	Confident	120 Å²	120	52.6 Å²	52.6	56%	0.561	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-41.1	177.6	-167.9	-167.9	148.7	0	0	112.2	K206 S216	K206-E218 IonicContact NZ-OE1 3.66Å; K206-E218 PolarHBondContact NZ-OE1 3.49Å; K206-E218 IonicContact NZ-OE2 3.91Å; K206-E218 PolarHBondContact NZ-OE2 2.97Å; S216-E218 PolarHBondContact O-N 3.34Å
219	L	87.7	Confident	88.1	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-32.3	-179.5	-69	174.3	0	0	0	111.6	K202 T203 S216 K221 L222	K202-L219 HydrophobicContact CB-CD2 4.02Å; T203-L219 HydrophobicContact CG2-CD1 4.21Å; S216-L219 PolarHBondContact O-N 3.34Å; L219-K221 PolarHBondContact O-N 2.96Å; L219-L222 HydrophobicContact CD2-CD1 3.89Å; L219-L222 WeakPolarHBondContact O-CB 3.37Å; L219-L222 PolarHBondContact O-N 3.21Å
220	L	87.4	Confident	88.3	Confident	38 Å²	38	45.8 Å²	45.8	20%	0.199	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15	175	-73.1	178.2	0	0	0	113.9	L215 S216 L222 T223	L215-L220 HydrophobicContact CD2-CD2 4.39Å; L215-L220 WeakPolarHBondContact O-CD1 3.39Å; S216-L220 PolarHBondContact O-N 3.32Å; L220-L222 PolarHBondContact O-N 3.36Å; L220-T223 WeakPolarHBondContact O-CG2 3.21Å
221	K	86.5	Confident	88.8	Confident	167 Å²	167	48.5 Å²	48.5	73%	0.726	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.7	171.1	-72.1	173.4	-176.6	-174.3	0	113.7	P217 L219 T223	P217-K221 WeakPolarHBondContact O-CG 3.45Å; L219-K221 PolarHBondContact O-N 2.96Å; K221-T223 PolarHBondContact O-N 3.11Å
222	L	88.9	Confident	89.3	Confident	29 Å²	29	43.8 Å²	43.8	15%	0.152	25%	0.245	C	C	.	.			trans	-84.2	46	-178.6	-58	167.7	0	0	0	111.2	M195 H196 W199 K202 L219 L220	M195-L222 WeakPolarHBondContact CE-O 3.46Å; H196-L222 PolarHBondContact N-O 2.8Å; W199-L222 HydrophobicContact CB-CB 3.94Å; W199-L222 HydrophobicContact CB-CD1 4.42Å; K202-L222 HydrophobicContact CB-CD1 3.96Å; K202-L222 HydrophobicContact CD-CD1 3.53Å; K202-L222 HydrophobicContact CD-CD2 3.93Å; K202-L222 HydrophobicContact CD-CG 4.4Å; K202-L222 HydrophobicContact CG-CD1 4.29Å; L219-L222 HydrophobicContact CD2-CD1 3.89Å; L219-L222 WeakPolarHBondContact O-CB 3.37Å; L219-L222 PolarHBondContact O-N 3.21Å; L220-L222 PolarHBondContact O-N 3.36Å
223	T	89.7	Confident	89.6	Confident	42 Å²	42	45.7 Å²	45.7	26%	0.258	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-69.9	158.1	175.5	49.1	0	0	0	0	110.7	A194 M195 L220 K221 A225	A194-T223 WeakPolarHBondContact O-CA 3.35Å; M195-T223 HydrophobicContact SD-CG2 4.14Å; L220-T223 WeakPolarHBondContact O-CG2 3.21Å; K221-T223 PolarHBondContact O-N 3.11Å; T223-A225 PolarHBondContact O-N 3.24Å
224	L	90.3	Very high	89.7	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.016	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-72.9	121.7	170.4	-173.7	66.8	0	0	0	108.6	A176 T179 Y184 A194 H196 H228	A176-L224 HydrophobicContact CB-CD2 3.71Å; A176-L224 WeakPolarHBondContact O-CD1 3.41Å; T179-L224 HydrophobicContact CG2-CD2 3.8Å; T179-L224 HydrophobicContact CG2-CG 4.38Å; Y184-L224 HydrophobicContact CD2-CD2 4.07Å; Y184-L224 HydrophobicContact CE2-CD2 3.95Å; A194-L224 HydrophobicContact CB-CB 4.45Å; A194-L224 PolarHBondContact O-N 3.44Å; H196-L224 HydrophobicContact CB-CD1 4.32Å; L224-H228 HydrophobicContact CD1-CB 3.57Å; L224-H228 HydrophobicContact CG-CB 3.93Å
225	A	91.5	Very high	89.7	Confident	29 Å²	29	46.3 Å²	46.3	24%	0.24	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-59.2	146.4	179.5	0	0	0	0	0	111.3	T223 F227 H228 N252	T223-A225 PolarHBondContact O-N 3.24Å; A225-F227 PolarHBondContact O-N 3.36Å; A225-H228 HydrophobicContact CB-CB 4.32Å; A225-H228 WeakPolarHBondContact O-CB 3.41Å; A225-H228 PolarHBondContact O-N 2.87Å; A225-N252 VanDerWaalsContact CB-O 3.28Å; A225-N252 WeakPolarHBondContact CB-O 3.45Å
226	P	89.3	Confident	89.5	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.1	-170.2	-27.7	33.4	0	0	0	114.5	T179 C302	T179-P226 WeakPolarHBondContact CG2-O 3.49Å; P226-C302 VanDerWaalsContact O-CB 3.24Å; P226-C302 WeakPolarHBondContact O-CB 3.48Å
227	F	92.4	Very high	89.4	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	19.8	-176.4	-52.5	-47.8	0	0	0	113	A225 G229 L230 L232 N252 G253 A254 W292 F293 I297	A225-F227 PolarHBondContact O-N 3.36Å; F227-G229 PolarHBondContact O-N 3.31Å; F227-L230 HydrophobicContact CB-CB 4.36Å; F227-L230 HydrophobicContact CB-CD1 4.24Å; F227-L230 HydrophobicContact CD1-CD1 4.02Å; F227-L230 VanDerWaalsContact O-CB 3.31Å; F227-L230 WeakPolarHBondContact O-CB 3.34Å; F227-L230 PolarHBondContact O-N 2.92Å; F227-L232 HydrophobicContact CD2-CD1 4.26Å; F227-L232 HydrophobicContact CG-CD1 4.23Å; F227-N252 HydrophobicContact CD2-CB 3.64Å; F227-N252 HydrophobicContact CE2-CB 4.13Å; F227-N252 PolarHBondContact N-O 3.06Å; F227-N252 VanDerWaalsContact N-O 3.07Å; F227-G253 CarbonylContact O-C 3.55Å; F227-A254 HydrophobicContact CB-CB 3.47Å; F227-A254 VanDerWaalsContact CB-CB 3.47Å; F227-A254 HydrophobicContact CD2-CB 4.35Å; F227-A254 HydrophobicContact CG-CB 4.26Å; F227-A254 WeakPolarHBondContact O-CA 3.36Å; F227-W292 AromaticContact CD1-CH2 3.89Å; F227-W292 HydrophobicContact CD1-CH2 3.89Å; F227-W292 HydrophobicContact CD1-CZ2 4.48Å; F227-W292 HydrophobicContact CD1-CZ3 4.39Å; F227-W292 AromaticContact CE1-CH2 3.73Å; F227-W292 HydrophobicContact CE1-CH2 3.73Å; F227-W292 HydrophobicContact CE1-CZ2 4.26Å; F227-W292 AromaticContact CE1-CZ3 3.89Å; F227-W292 HydrophobicContact CE1-CZ3 3.89Å; F227-F293 HydrophobicContact CD2-CE2 4.25Å; F227-F293 HydrophobicContact CE1-CD2 4.37Å; F227-F293 AromaticContact CE2-CD2 3.64Å; F227-F293 HydrophobicContact CE2-CD2 3.64Å; F227-F293 AromaticContact CE2-CE2 3.43Å; F227-F293 HydrophobicContact CE2-CE2 3.43Å; F227-F293 VanDerWaalsContact CE2-CE2 3.43Å; F227-F293 HydrophobicContact CE2-CZ 4.3Å; F227-F293 AromaticContact CZ-CD2 3.48Å; F227-F293 HydrophobicContact CZ-CD2 3.48Å; F227-F293 VanDerWaalsContact CZ-CD2 3.48Å; F227-F293 AromaticContact CZ-CE2 3.82Å; F227-F293 HydrophobicContact CZ-CE2 3.82Å; F227-F293 HydrophobicContact CZ-CG 4.24Å; F227-I297 HydrophobicContact CE2-CD1 4.03Å; F227-I297 HydrophobicContact CE2-CG1 3.66Å; F227-I297 HydrophobicContact CZ-CD1 4.47Å; F227-I297 HydrophobicContact CZ-CG1 3.92Å
228	H	91.1	Very high	89.5	Confident	50 Å²	50	42.3 Å²	42.3	23%	0.231	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	122.4	-177.9	-168.3	90.9	0	0	0	112	N177 H196 L224 A225 L230 G253	N177-H228 PolarHBondContact O-CD2 3.45Å; N177-H228 VanDerWaalsContact O-CD2 3.32Å; H196-H228 AromaticContact CD2-CE1 3.93Å; H196-H228 AromaticContact NE2-CE1 3.8Å; L224-H228 HydrophobicContact CD1-CB 3.57Å; L224-H228 HydrophobicContact CG-CB 3.93Å; A225-H228 HydrophobicContact CB-CB 4.32Å; A225-H228 WeakPolarHBondContact O-CB 3.41Å; A225-H228 PolarHBondContact O-N 2.87Å; H228-L230 VanDerWaalsContact C-N 3.28Å; H228-G253 WeakPolarHBondContact CA-O 3.37Å
229	G	86	Confident	89.5	Confident	47 Å²	47	41.7 Å²	41.7	49%	0.485	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	6.2	-177	0	0	0	0	0	114.3	F227	F227-G229 PolarHBondContact O-N 3.31Å
230	L	91.6	Very high	89.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.274	C	S	.	.			trans	-90.7	148.6	174.9	-56.3	-170.6	0	0	0	112	T179 Q180 F227 H228 L232 S255 W292	T179-L230 WeakPolarHBondContact OG1-CD2 3.43Å; Q180-L230 HydrophobicContact CG-CD2 3.58Å; F227-L230 HydrophobicContact CB-CB 4.36Å; F227-L230 HydrophobicContact CB-CD1 4.24Å; F227-L230 HydrophobicContact CD1-CD1 4.02Å; F227-L230 VanDerWaalsContact O-CB 3.31Å; F227-L230 WeakPolarHBondContact O-CB 3.34Å; F227-L230 PolarHBondContact O-N 2.92Å; H228-L230 VanDerWaalsContact C-N 3.28Å; L230-L232 HydrophobicContact CB-CD2 4.09Å; L230-L232 HydrophobicContact CD1-CD2 4.49Å; L230-S255 PolarHBondContact O-N 3.29Å; L230-S255 PolarHBondContact O-OG 3.23Å; L230-W292 HydrophobicContact CD1-CH2 3.87Å; L230-W292 HydrophobicContact CD1-CZ2 4.14Å
231	K	92.3	Very high	89.6	Confident	103 Å²	103	46.9 Å²	46.9	45%	0.448	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	110.7	171.7	-68.1	-178	-176.7	-179.1	0	108.9	S255 S261 S263 H264	K231-S255 CarbonylContact C-O 3.53Å; K231-S255 VanDerWaalsContact CA-O 3.25Å; K231-S255 WeakPolarHBondContact CA-O 3.25Å; K231-S255 WeakPolarHBondContact CG-OG 3.45Å; K231-S261 WeakPolarHBondContact CD-O 3.48Å; K231-S263 PolarHBondContact N-OG 2.8Å; K231-S263 PolarHBondContact O-N 3.36Å; K231-S263 PolarHBondContact O-OG 2.86Å; K231-H264 PolarHBondContact O-N 3.05Å
232	L	93.3	Very high	89.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.9	-175.3	-52.8	-174.2	0	0	0	111.2	F227 L230 F234 A249 A254 S255 V256 C257 H264 W292 F293	F227-L232 HydrophobicContact CD2-CD1 4.26Å; F227-L232 HydrophobicContact CG-CD1 4.23Å; L230-L232 HydrophobicContact CB-CD2 4.09Å; L230-L232 HydrophobicContact CD1-CD2 4.49Å; L232-F234 HydrophobicContact CB-CE2 4.48Å; L232-F234 HydrophobicContact CB-CZ 4.24Å; L232-F234 HydrophobicContact CD1-CZ 4.09Å; L232-A249 HydrophobicContact CD1-CB 3.98Å; L232-A254 HydrophobicContact CD1-CB 3.78Å; L232-A254 HydrophobicContact CG-CB 3.94Å; L232-S255 PolarHBondContact N-O 3.03Å; L232-V256 WeakPolarHBondContact O-CA 3.4Å; L232-C257 PolarHBondContact O-N 3.25Å; L232-H264 HydrophobicContact CD2-CB 3.61Å; L232-W292 HydrophobicContact CD2-CH2 3.95Å; L232-W292 HydrophobicContact CD2-CZ3 3.99Å; L232-F293 HydrophobicContact CD1-CD2 4.13Å; L232-F293 HydrophobicContact CD1-CE2 4.08Å
233	Y	92	Very high	89.9	Confident	61 Å²	61	43.2 Å²	43.2	24%	0.239	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.3	167.8	175.6	-104.6	0	0	0	109.2	H235 C257 A259 H264 F265 V266	Y233-H235 HydrophobicContact CE1-CB 3.96Å; Y233-C257 VanDerWaalsContact CD2-O 3.3Å; Y233-C257 WeakPolarHBondContact CD2-O 3.32Å; Y233-A259 HydrophobicContact CD1-CB 4.02Å; Y233-A259 HydrophobicContact CD2-CB 4.4Å; Y233-A259 HydrophobicContact CE1-CB 3.89Å; Y233-A259 HydrophobicContact CE2-CB 4.28Å; Y233-A259 HydrophobicContact CG-CB 4.25Å; Y233-H264 PolarHBondContact N-O 3.3Å; Y233-F265 AromaticContact CD1-CD2 3.51Å; Y233-F265 HydrophobicContact CD1-CD2 3.51Å; Y233-F265 AromaticContact CD1-CE2 3.4Å; Y233-F265 HydrophobicContact CD1-CE2 3.4Å; Y233-F265 VanDerWaalsContact CD1-CE2 3.4Å; Y233-F265 HydrophobicContact CD1-CG 4.22Å; Y233-F265 HydrophobicContact CD1-CZ 4.04Å; Y233-F265 AromaticContact CE1-CD2 3.99Å; Y233-F265 HydrophobicContact CE1-CD2 3.99Å; Y233-F265 AromaticContact CE1-CE2 3.37Å; Y233-F265 HydrophobicContact CE1-CE2 3.37Å; Y233-F265 AromaticContact CE1-CZ 3.81Å; Y233-F265 HydrophobicContact CE1-CZ 3.81Å; Y233-V266 PolarHBondContact O-N 2.71Å
234	F	91.9	Very high	89.9	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.6	-178.2	-60.8	-69.6	0	0	0	110.1	L232 F237 E242 M245 A249 V256 V266 F293	L232-F234 HydrophobicContact CB-CE2 4.48Å; L232-F234 HydrophobicContact CB-CZ 4.24Å; L232-F234 HydrophobicContact CD1-CZ 4.09Å; F234-F237 HydrophobicContact CB-CD2 3.94Å; F234-F237 HydrophobicContact CB-CE2 4.14Å; F234-F237 HydrophobicContact CD1-CE2 4.3Å; F234-E242 HydrophobicContact CB-CG 4.14Å; F234-M245 HydrophobicContact CD1-CB 4.37Å; F234-M245 HydrophobicContact CD1-CE 3.69Å; F234-M245 HydrophobicContact CD1-SD 4.34Å; F234-M245 HydrophobicContact CD2-CB 4.46Å; F234-M245 HydrophobicContact CE1-CB 4.15Å; F234-M245 HydrophobicContact CE1-CE 3.64Å; F234-M245 HydrophobicContact CE2-CB 4.22Å; F234-M245 HydrophobicContact CZ-CB 4.07Å; F234-A249 HydrophobicContact CE2-CB 4.19Å; F234-A249 HydrophobicContact CZ-CB 3.99Å; F234-V256 HydrophobicContact CD2-CG1 4.32Å; F234-V256 HydrophobicContact CE2-CG1 4.32Å; F234-V256 HydrophobicContact CE2-CG2 4.06Å; F234-V266 WeakPolarHBondContact CA-O 3.48Å; F234-V266 HydrophobicContact CD1-CB 3.76Å; F234-V266 HydrophobicContact CD1-CG1 4.04Å; F234-V266 HydrophobicContact CD1-CG2 4.28Å; F234-V266 HydrophobicContact CE1-CB 4.04Å; F234-V266 HydrophobicContact CE1-CG1 4.21Å; F234-V266 HydrophobicContact CE1-CG2 4.1Å; F234-F293 AromaticContact CE1-CD2 3.93Å; F234-F293 HydrophobicContact CE1-CD2 3.93Å; F234-F293 AromaticContact CE1-CE2 3.97Å; F234-F293 HydrophobicContact CE1-CE2 3.97Å; F234-F293 HydrophobicContact CE1-CG 4.3Å; F234-F293 HydrophobicContact CE1-CZ 4.37Å; F234-F293 HydrophobicContact CZ-CD2 4.12Å; F234-F293 AromaticContact CZ-CE2 3.72Å; F234-F293 HydrophobicContact CZ-CE2 3.72Å; F234-F293 HydrophobicContact CZ-CZ 4.12Å
235	H	89.1	Confident	90	Very high	61 Å²	61	45.1 Å²	45.1	28%	0.282	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138.7	-179.9	-174.1	67.2	0	0	0	112.5	Y233 F237 F265 V266 A267 D268	Y233-H235 HydrophobicContact CE1-CB 3.96Å; H235-F237 WeakPolarHBondContact O-CE2 3.2Å; H235-F265 HydrophobicContact CB-CE1 3.57Å; H235-F265 HydrophobicContact CB-CE2 4.45Å; H235-F265 HydrophobicContact CB-CZ 3.47Å; H235-F265 VanDerWaalsContact CB-CZ 3.47Å; H235-F265 AromaticContact CD2-CZ 3.95Å; H235-F265 AromaticContact CG-CZ 3.72Å; H235-V266 PolarHBondContact N-O 3.29Å; H235-A267 WeakPolarHBondContact O-CA 3.41Å; H235-D268 PolarHBondContact O-N 3.49Å
236	G	84.4	Confident	90.1	Very high	40 Å²	40	45 Å²	45	41%	0.412	27%	0.273	S	S	.	.	S	Bend	trans	88.4	5.6	177.8	0	0	0	0	0	115.3	D268	G236-D268 WeakPolarHBondContact O-CB 3.43Å
237	F	87.9	Confident	90.2	Very high	22 Å²	22	49.4 Å²	49.4	10%	0.096	29%	0.294	C	S	.	.			trans	-96.6	155.9	178.1	-54.7	-78.5	0	0	0	111.7	F234 H235 E241 E242 M245 V266 D268 A290	F234-F237 HydrophobicContact CB-CD2 3.94Å; F234-F237 HydrophobicContact CB-CE2 4.14Å; F234-F237 HydrophobicContact CD1-CE2 4.3Å; H235-F237 WeakPolarHBondContact O-CE2 3.2Å; F237-E241 HydrophobicContact CB-CB 4.32Å; F237-E241 HydrophobicContact CB-CG 4.32Å; F237-E241 HydrophobicContact CD1-CG 4.24Å; F237-E242 HydrophobicContact CB-CB 4.37Å; F237-M245 HydrophobicContact CD1-SD 3.87Å; F237-M245 HydrophobicContact CD2-SD 4.13Å; F237-M245 HydrophobicContact CE1-CE 4.24Å; F237-M245 HydrophobicContact CE1-SD 3.88Å; F237-M245 HydrophobicContact CE2-CE 4.21Å; F237-M245 HydrophobicContact CE2-SD 4.14Å; F237-M245 HydrophobicContact CG-SD 3.98Å; F237-M245 HydrophobicContact CZ-CE 3.93Å; F237-M245 HydrophobicContact CZ-SD 4.02Å; F237-V266 HydrophobicContact CZ-CG1 4.42Å; F237-D268 HydrophobicContact CD1-CB 3.93Å; F237-D268 HydrophobicContact CE1-CB 3.65Å; F237-D268 WeakPolarHBondContact CE1-OD2 3.32Å; F237-D268 HydrophobicContact CE2-CB 4.41Å; F237-D268 HydrophobicContact CG-CB 4.43Å; F237-D268 HydrophobicContact CZ-CB 3.92Å; F237-A290 HydrophobicContact CE1-CB 3.97Å; F237-A290 HydrophobicContact CZ-CB 3.79Å
238	S	88.5	Confident	90.2	Very high	69 Å²	69	49.8 Å²	49.8	48%	0.483	30%	0.296	S	S	.	.			trans	-65.1	153.4	170.1	71.6	0	0	0	0	110.9	S240 E241 E242	S238-S240 PolarHBondContact O-N 3.42Å; S238-S240 VanDerWaalsContact O-N 3.14Å; S238-E241 PolarHBondContact O-N 3.38Å; S238-E241 WeakPolarHBondContact OG-CB 3.49Å; S238-E241 PolarHBondContact OG-N 3.18Å; S238-E242 PolarHBondContact O-N 3.39Å
239	S	88	Confident	90.3	Very high	108 Å²	108	47.4 Å²	47.4	76%	0.755	29%	0.285	S	S	*	.	H	α-helix	trans	-58.9	-31.7	-178.7	-51.7	0	0	0	0	113.5	G243	S239-G243 PolarHBondContact O-N 3.46Å; S239-G243 VanDerWaalsContact O-N 3.11Å
240	S	88.3	Confident	90.6	Very high	102 Å²	102	50.7 Å²	50.7	71%	0.713	29%	0.286	S	S	*	.	H	α-helix	trans	-69.2	-40.8	174.8	-173.9	0	0	0	0	112	S238 H244	S238-S240 PolarHBondContact O-N 3.42Å; S238-S240 VanDerWaalsContact O-N 3.14Å; S240-H244 PolarHBondContact O-N 3.1Å
241	E	87.7	Confident	90.6	Very high	46 Å²	46	56.4 Å²	56.4	22%	0.215	31%	0.312	C	S	.	.	H	α-helix	trans	-73.9	-42.9	-179.9	-176.1	164.9	-139.9	0	0	111.5	F237 S238 G243 H244 M245 K510	F237-E241 HydrophobicContact CB-CB 4.32Å; F237-E241 HydrophobicContact CB-CG 4.32Å; F237-E241 HydrophobicContact CD1-CG 4.24Å; S238-E241 PolarHBondContact O-N 3.38Å; S238-E241 WeakPolarHBondContact OG-CB 3.49Å; S238-E241 PolarHBondContact OG-N 3.18Å; E241-G243 VanDerWaalsContact C-N 3.28Å; E241-G243 PolarHBondContact O-N 3.13Å; E241-H244 PolarHBondContact O-N 2.92Å; E241-H244 VanDerWaalsContact O-N 3.13Å; E241-M245 HydrophobicContact CG-CG 4.37Å; E241-M245 HydrophobicContact CG-SD 4.1Å; E241-M245 WeakPolarHBondContact O-CG 3.46Å; E241-M245 PolarHBondContact O-N 2.91Å; E241-K510 IonicContact OE1-NZ 3.44Å; E241-K510 PolarHBondContact OE1-NZ 2.7Å
242	E	90.3	Very high	90.6	Very high	77 Å²	77	52.6 Å²	52.6	36%	0.36	30%	0.297	S	S	.	.	H	α-helix	trans	-58.5	-41.3	173.6	-173.1	-175.7	166.7	0	0	111.4	F234 F237 S238 M245 T246	F234-E242 HydrophobicContact CB-CG 4.14Å; F237-E242 HydrophobicContact CB-CB 4.37Å; S238-E242 PolarHBondContact O-N 3.39Å; E242-M245 PolarHBondContact O-N 3.1Å; E242-T246 WeakPolarHBondContact O-CB 3.32Å; E242-T246 PolarHBondContact O-N 3.39Å; E242-T246 PolarHBondContact O-OG1 3.11Å
243	G	91.6	Very high	90.4	Very high	42 Å²	42	54 Å²	54	43%	0.433	31%	0.311	S	S	.	.	H	α-helix	trans	-60.3	-44.7	174.4	0	0	0	0	0	112.5	S239 E241 T246 E247	S239-G243 PolarHBondContact O-N 3.46Å; S239-G243 VanDerWaalsContact O-N 3.11Å; E241-G243 VanDerWaalsContact C-N 3.28Å; E241-G243 PolarHBondContact O-N 3.13Å; G243-T246 PolarHBondContact O-N 2.93Å; G243-E247 PolarHBondContact O-N 2.92Å; G243-E247 VanDerWaalsContact O-N 3.12Å
244	H	90.2	Very high	90.4	Very high	86 Å²	86	51.6 Å²	51.6	40%	0.398	30%	0.304	S	S	.	.	H	α-helix	trans	-66.2	-47	177	-175.9	-157.2	0	0	0	112.2	S240 E241 T246 E247 L248 H506	S240-H244 PolarHBondContact O-N 3.1Å; E241-H244 PolarHBondContact O-N 2.92Å; E241-H244 VanDerWaalsContact O-N 3.13Å; H244-T246 VanDerWaalsContact C-N 3.27Å; H244-T246 PolarHBondContact O-N 3.17Å; H244-E247 PolarHBondContact O-N 3.17Å; H244-L248 WeakPolarHBondContact O-CG 3.38Å; H244-L248 PolarHBondContact O-N 3.26Å; H244-H506 AromaticContact CE1-CD2 3.68Å; H244-H506 AromaticContact CE1-CE1 3.99Å; H244-H506 AromaticContact CE1-NE2 3.31Å; H244-H506 PolarHBondContact CE1-NE2 3.38Å; H244-H506 VanDerWaalsContact CE1-NE2 3.31Å; H244-H506 AromaticContact ND1-NE2 3.75Å
245	M	92.3	Very high	90.3	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-36.8	177.2	-68.9	-179.9	78.2	0	0	111.7	F234 F237 E241 E242 L248 A249 V266 F293 W294	F234-M245 HydrophobicContact CD1-CB 4.37Å; F234-M245 HydrophobicContact CD1-CE 3.69Å; F234-M245 HydrophobicContact CD1-SD 4.34Å; F234-M245 HydrophobicContact CD2-CB 4.46Å; F234-M245 HydrophobicContact CE1-CB 4.15Å; F234-M245 HydrophobicContact CE1-CE 3.64Å; F234-M245 HydrophobicContact CE2-CB 4.22Å; F234-M245 HydrophobicContact CZ-CB 4.07Å; F237-M245 HydrophobicContact CD1-SD 3.87Å; F237-M245 HydrophobicContact CD2-SD 4.13Å; F237-M245 HydrophobicContact CE1-CE 4.24Å; F237-M245 HydrophobicContact CE1-SD 3.88Å; F237-M245 HydrophobicContact CE2-CE 4.21Å; F237-M245 HydrophobicContact CE2-SD 4.14Å; F237-M245 HydrophobicContact CG-SD 3.98Å; F237-M245 HydrophobicContact CZ-CE 3.93Å; F237-M245 HydrophobicContact CZ-SD 4.02Å; E241-M245 HydrophobicContact CG-CG 4.37Å; E241-M245 HydrophobicContact CG-SD 4.1Å; E241-M245 WeakPolarHBondContact O-CG 3.46Å; E241-M245 PolarHBondContact O-N 2.91Å; E242-M245 PolarHBondContact O-N 3.1Å; M245-L248 PolarHBondContact O-N 2.91Å; M245-A249 WeakPolarHBondContact O-CB 3.27Å; M245-A249 PolarHBondContact O-N 3.47Å; M245-V266 HydrophobicContact CE-CG1 4.43Å; M245-F293 HydrophobicContact CB-CE1 4.16Å; M245-F293 HydrophobicContact CB-CZ 4.25Å; M245-F293 HydrophobicContact CE-CB 4.49Å; M245-F293 HydrophobicContact CE-CD1 3.48Å; M245-F293 VanDerWaalsContact CE-CD1 3.48Å; M245-F293 HydrophobicContact CE-CE1 3.79Å; M245-F293 HydrophobicContact CE-CG 4.02Å; M245-F293 HydrophobicContact CG-CE1 4.07Å; M245-F293 WeakPolarHBondContact O-CZ 3.36Å; M245-W294 HydrophobicContact CE-CZ2 4.18Å; M245-W294 HydrophobicContact CG-CH2 4.03Å; M245-W294 HydrophobicContact CG-CZ2 3.76Å; M245-W294 HydrophobicContact SD-CZ2 4.12Å
246	T	93.4	Very high	90.4	Very high	25 Å²	25	53.4 Å²	53.4	15%	0.153	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-43.7	175.6	-67.8	0	0	0	0	112.1	E242 G243 H244 A249 K250 V256	E242-T246 WeakPolarHBondContact O-CB 3.32Å; E242-T246 PolarHBondContact O-N 3.39Å; E242-T246 PolarHBondContact O-OG1 3.11Å; G243-T246 PolarHBondContact O-N 2.93Å; H244-T246 VanDerWaalsContact C-N 3.27Å; H244-T246 PolarHBondContact O-N 3.17Å; T246-A249 PolarHBondContact O-N 2.91Å; T246-K250 HydrophobicContact CG2-CD 4.45Å; T246-K250 WeakPolarHBondContact O-CG 3.28Å; T246-K250 PolarHBondContact O-N 3.26Å; T246-K250 VanDerWaalsContact O-N 3.12Å; T246-V256 HydrophobicContact CG2-CB 4.13Å; T246-V256 HydrophobicContact CG2-CG1 4.2Å; T246-V256 HydrophobicContact CG2-CG2 3.94Å
247	E	92.7	Very high	90.5	Very high	95 Å²	95	52.9 Å²	52.9	44%	0.444	31%	0.312	S	S	.	.	H	α-helix	trans	-64.6	-47.5	177.2	-177.9	55.3	-151.7	0	0	110.8	G243 H244 A249 K250 Q251	G243-E247 PolarHBondContact O-N 2.92Å; G243-E247 VanDerWaalsContact O-N 3.12Å; H244-E247 PolarHBondContact O-N 3.17Å; E247-A249 VanDerWaalsContact C-N 3.33Å; E247-A249 PolarHBondContact O-N 3.29Å; E247-K250 PolarHBondContact O-N 2.84Å; E247-Q251 WeakPolarHBondContact O-CG 3.42Å; E247-Q251 PolarHBondContact O-N 3.22Å; E247-Q251 PolarHBondContact OE1-NE2 2.81Å
248	L	91.6	Very high	90.3	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-60.8	-40.3	176.2	-71.9	176.1	0	0	0	112.5	H244 M245 K250 Q251 N252 F293 W294 I297 P503	H244-L248 WeakPolarHBondContact O-CG 3.38Å; H244-L248 PolarHBondContact O-N 3.26Å; M245-L248 PolarHBondContact O-N 2.91Å; L248-K250 PolarHBondContact O-N 3.36Å; L248-Q251 PolarHBondContact O-N 3.38Å; L248-N252 WeakPolarHBondContact O-CB 3.44Å; L248-N252 PolarHBondContact O-N 3.41Å; L248-N252 PolarHBondContact O-ND2 3.47Å; L248-F293 HydrophobicContact CB-CZ 4.14Å; L248-W294 HydrophobicContact CD1-CH2 3.91Å; L248-W294 HydrophobicContact CD1-CZ3 3.61Å; L248-I297 HydrophobicContact CB-CD1 4.21Å; L248-P503 HydrophobicContact CD2-CB 4.43Å
249	A	93.1	Very high	89.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-59.5	-46.8	176.5	0	0	0	0	0	111.5	L232 F234 M245 T246 E247 N252 G253 A254 V256 F293	L232-A249 HydrophobicContact CD1-CB 3.98Å; F234-A249 HydrophobicContact CE2-CB 4.19Å; F234-A249 HydrophobicContact CZ-CB 3.99Å; M245-A249 WeakPolarHBondContact O-CB 3.27Å; M245-A249 PolarHBondContact O-N 3.47Å; T246-A249 PolarHBondContact O-N 2.91Å; E247-A249 VanDerWaalsContact C-N 3.33Å; E247-A249 PolarHBondContact O-N 3.29Å; A249-N252 CarbonylContact O-C 3.47Å; A249-N252 PolarHBondContact O-N 2.7Å; A249-G253 PolarHBondContact O-N 3.28Å; A249-A254 HydrophobicContact CB-CB 3.96Å; A249-A254 WeakPolarHBondContact O-CA 3.45Å; A249-A254 WeakPolarHBondContact O-CB 3.49Å; A249-A254 PolarHBondContact O-N 3.44Å; A249-V256 HydrophobicContact CB-CG2 3.85Å; A249-F293 HydrophobicContact CB-CE2 3.98Å; A249-F293 HydrophobicContact CB-CZ 4.36Å
250	K	93.1	Very high	89.3	Confident	116 Å²	116	60.2 Å²	60.2	50%	0.504	33%	0.33	S	S	.	.	H	α-helix	trans	-64.6	-42.9	177.9	-71.4	173.5	-176.8	173.9	0	112.1	T246 E247 L248 N252 G253	T246-K250 HydrophobicContact CG2-CD 4.45Å; T246-K250 WeakPolarHBondContact O-CG 3.28Å; T246-K250 PolarHBondContact O-N 3.26Å; T246-K250 VanDerWaalsContact O-N 3.12Å; E247-K250 PolarHBondContact O-N 2.84Å; L248-K250 PolarHBondContact O-N 3.36Å; K250-N252 PolarHBondContact O-N 3.02Å; K250-G253 PolarHBondContact O-N 2.93Å; K250-G253 VanDerWaalsContact O-N 3.1Å
251	Q	91.6	Very high	89	Confident	119 Å²	119	58 Å²	58	56%	0.556	32%	0.315	S	S	*	.	H	α-helix	trans	-60.2	-31.7	175.8	-71.1	176.1	7.1	0	0	112.2	E247 L248	E247-Q251 WeakPolarHBondContact O-CG 3.42Å; E247-Q251 PolarHBondContact O-N 3.22Å; E247-Q251 PolarHBondContact OE1-NE2 2.81Å; L248-Q251 PolarHBondContact O-N 3.38Å
252	N	91.7	Very high	89	Confident	24 Å²	24	56.4 Å²	56.4	13%	0.128	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	19.5	177.7	-72.2	-82.1	0	0	0	113.9	A225 F227 L248 A249 K250	A225-N252 VanDerWaalsContact CB-O 3.28Å; A225-N252 WeakPolarHBondContact CB-O 3.45Å; F227-N252 HydrophobicContact CD2-CB 3.64Å; F227-N252 HydrophobicContact CE2-CB 4.13Å; F227-N252 PolarHBondContact N-O 3.06Å; F227-N252 VanDerWaalsContact N-O 3.07Å; L248-N252 WeakPolarHBondContact O-CB 3.44Å; L248-N252 PolarHBondContact O-N 3.41Å; L248-N252 PolarHBondContact O-ND2 3.47Å; A249-N252 CarbonylContact O-C 3.47Å; A249-N252 PolarHBondContact O-N 2.7Å; K250-N252 PolarHBondContact O-N 3.02Å
253	G	88.8	Confident	88.8	Confident	29 Å²	29	53.8 Å²	53.8	30%	0.299	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	7.3	170.3	0	0	0	0	0	116	F227 H228 A249 K250	F227-G253 CarbonylContact O-C 3.55Å; H228-G253 WeakPolarHBondContact CA-O 3.37Å; A249-G253 PolarHBondContact O-N 3.28Å; K250-G253 PolarHBondContact O-N 2.93Å; K250-G253 VanDerWaalsContact O-N 3.1Å
254	A	91.5	Very high	88.7	Confident	11 Å²	11	51.8 Å²	51.8	9%	0.091	28%	0.278	C	S	.	.			trans	-82	158.5	175.8	0	0	0	0	0	112.3	F227 L232 A249	F227-A254 HydrophobicContact CB-CB 3.47Å; F227-A254 VanDerWaalsContact CB-CB 3.47Å; F227-A254 HydrophobicContact CD2-CB 4.35Å; F227-A254 HydrophobicContact CG-CB 4.26Å; F227-A254 WeakPolarHBondContact O-CA 3.36Å; L232-A254 HydrophobicContact CD1-CB 3.78Å; L232-A254 HydrophobicContact CG-CB 3.94Å; A249-A254 HydrophobicContact CB-CB 3.96Å; A249-A254 WeakPolarHBondContact O-CA 3.45Å; A249-A254 WeakPolarHBondContact O-CB 3.49Å; A249-A254 PolarHBondContact O-N 3.44Å
255	S	91.1	Very high	88.7	Confident	55 Å²	55	47.8 Å²	47.8	39%	0.385	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.3	162.4	54	0	0	0	0	109.4	L230 K231 L232	L230-S255 PolarHBondContact O-N 3.29Å; L230-S255 PolarHBondContact O-OG 3.23Å; K231-S255 CarbonylContact C-O 3.53Å; K231-S255 VanDerWaalsContact CA-O 3.25Å; K231-S255 WeakPolarHBondContact CA-O 3.25Å; K231-S255 WeakPolarHBondContact CG-OG 3.45Å; L232-S255 PolarHBondContact N-O 3.03Å
256	V	89.8	Confident	88.6	Confident	48 Å²	48	47.8 Å²	47.8	29%	0.291	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.3	177.8	-177.8	0	0	0	0	108.5	L232 F234 T246 A249	L232-V256 WeakPolarHBondContact O-CA 3.4Å; F234-V256 HydrophobicContact CD2-CG1 4.32Å; F234-V256 HydrophobicContact CE2-CG1 4.32Å; F234-V256 HydrophobicContact CE2-CG2 4.06Å; T246-V256 HydrophobicContact CG2-CB 4.13Å; T246-V256 HydrophobicContact CG2-CG1 4.2Å; T246-V256 HydrophobicContact CG2-CG2 3.94Å; A249-V256 HydrophobicContact CB-CG2 3.85Å
257	C	88.3	Confident	88.4	Confident	29 Å²	29	46.6 Å²	46.6	20%	0.196	25%	0.252	C	S	.	.			trans	-137.4	175.5	-172	67.4	0	0	0	0	111.7	L232 Y233 S261 C262	L232-C257 PolarHBondContact O-N 3.25Å; Y233-C257 VanDerWaalsContact CD2-O 3.3Å; Y233-C257 WeakPolarHBondContact CD2-O 3.32Å; C257-S261 WeakPolarHBondContact CB-OG 3.32Å; C257-C262 WeakPolarHBondContact SG-CA 3.44Å
258	R	83.4	Confident	87.9	Confident	207 Å²	207	43.2 Å²	43.2	78%	0.781	24%	0.237	S	C	*	.			trans	-73.5	157.2	172.5	-64	-174.9	175.1	116.1	-0.9	111	T260 S261	R258-T260 PolarHBondContact O-N 2.97Å; R258-T260 VanDerWaalsContact O-N 3.09Å; R258-S261 PolarHBondContact O-N 3.14Å; R258-S261 PolarHBondContact O-OG 3.48Å
259	A	78.2	Confident	87.1	Confident	21 Å²	21	44.9 Å²	44.9	17%	0.174	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-47.2	-40.9	-177.7	0	0	0	0	0	114.1	Y233 S261 C262 L283	Y233-A259 HydrophobicContact CD1-CB 4.02Å; Y233-A259 HydrophobicContact CD2-CB 4.4Å; Y233-A259 HydrophobicContact CE1-CB 3.89Å; Y233-A259 HydrophobicContact CE2-CB 4.28Å; Y233-A259 HydrophobicContact CG-CB 4.25Å; A259-S261 PolarHBondContact O-N 3.03Å; A259-S261 VanDerWaalsContact O-N 3.15Å; A259-C262 PolarHBondContact O-N 3.3Å; A259-C262 PolarHBondContact O-SG 3.22Å; A259-L283 HydrophobicContact CB-CD1 4.27Å
260	T	77	Confident	86	Confident	124 Å²	124	48.2 Å²	48.2	76%	0.761	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-67.3	-15.6	-176.2	55.3	0	0	0	0	115.5	R258	R258-T260 PolarHBondContact O-N 2.97Å; R258-T260 VanDerWaalsContact O-N 3.09Å
261	S	82.4	Confident	85.1	Confident	57 Å²	57	44 Å²	44	40%	0.399	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-121.8	7.3	-175.6	61.5	0	0	0	0	113.2	K231 C257 R258 A259	K231-S261 WeakPolarHBondContact CD-O 3.48Å; C257-S261 WeakPolarHBondContact CB-OG 3.32Å; R258-S261 PolarHBondContact O-N 3.14Å; R258-S261 PolarHBondContact O-OG 3.48Å; A259-S261 PolarHBondContact O-N 3.03Å; A259-S261 VanDerWaalsContact O-N 3.15Å
262	C	86	Confident	84	Confident	12 Å²	12	45.6 Å²	45.6	8%	0.081	26%	0.26	C	S	.	.			trans	-79.5	147.4	-175.7	75.3	0	0	0	0	111.6	C257 A259 C285	C257-C262 WeakPolarHBondContact SG-CA 3.44Å; A259-C262 PolarHBondContact O-N 3.3Å; A259-C262 PolarHBondContact O-SG 3.22Å; C262-C285 VanDerWaalsContact O-CB 3.27Å; C262-C285 WeakPolarHBondContact O-CB 3.48Å; C262-C285 VanDerWaalsContact SG-SG 3.67Å
263	S	86.8	Confident	82.7	Confident	21 Å²	21	47 Å²	47	15%	0.147	28%	0.276	C	S	.	.	S	Bend	trans	-89.7	-28.5	167.3	60.8	0	0	0	0	111.5	K231 C285 H286	K231-S263 PolarHBondContact N-OG 2.8Å; K231-S263 PolarHBondContact O-N 3.36Å; K231-S263 PolarHBondContact O-OG 2.86Å; S263-C285 WeakPolarHBondContact O-CB 3.4Å; S263-H286 PolarHBondContact O-N 3.29Å
264	H	89.9	Confident	81.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	127	-179	-62.1	70.3	0	0	0	109.5	K231 L232 Y233 H286 W292 E305	K231-H264 PolarHBondContact O-N 3.05Å; L232-H264 HydrophobicContact CD2-CB 3.61Å; Y233-H264 PolarHBondContact N-O 3.3Å; H264-H286 CarbonylContact C-O 3.38Å; H264-H286 WeakPolarHBondContact CA-O 3.27Å; H264-H286 AromaticContact NE2-CD2 3.82Å; H264-W292 HydrophobicContact CB-CH2 4.35Å; H264-W292 HydrophobicContact CB-CZ3 4.44Å; H264-W292 AromaticContact CD2-CH2 3.62Å; H264-W292 AromaticContact CD2-CZ2 3.61Å; H264-W292 AromaticContact CG-CH2 3.92Å; H264-W292 AromaticContact NE2-CZ2 3.87Å; H264-E305 WeakPolarHBondContact NE2-CG 3.26Å; H264-E305 IonicContact NE2-OE1 2.61Å; H264-E305 PolarHBondContact NE2-OE1 3.48Å
265	F	90.2	Very high	80	Confident	2 Å²	2	56 Å²	56	1%	0.009	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	109.2	172.2	-170.2	-71.3	0	0	0	107.8	Y233 H235 A267 L279 H286 F287 V288	Y233-F265 AromaticContact CD1-CD2 3.51Å; Y233-F265 HydrophobicContact CD1-CD2 3.51Å; Y233-F265 AromaticContact CD1-CE2 3.4Å; Y233-F265 HydrophobicContact CD1-CE2 3.4Å; Y233-F265 VanDerWaalsContact CD1-CE2 3.4Å; Y233-F265 HydrophobicContact CD1-CG 4.22Å; Y233-F265 HydrophobicContact CD1-CZ 4.04Å; Y233-F265 AromaticContact CE1-CD2 3.99Å; Y233-F265 HydrophobicContact CE1-CD2 3.99Å; Y233-F265 AromaticContact CE1-CE2 3.37Å; Y233-F265 HydrophobicContact CE1-CE2 3.37Å; Y233-F265 AromaticContact CE1-CZ 3.81Å; Y233-F265 HydrophobicContact CE1-CZ 3.81Å; H235-F265 HydrophobicContact CB-CE1 3.57Å; H235-F265 HydrophobicContact CB-CE2 4.45Å; H235-F265 HydrophobicContact CB-CZ 3.47Å; H235-F265 VanDerWaalsContact CB-CZ 3.47Å; H235-F265 AromaticContact CD2-CZ 3.95Å; H235-F265 AromaticContact CG-CZ 3.72Å; F265-A267 HydrophobicContact CD1-CB 4.28Å; F265-A267 HydrophobicContact CE1-CB 4.01Å; F265-L279 HydrophobicContact CE2-CD1 4.5Å; F265-L279 HydrophobicContact CZ-CD1 4.34Å; F265-H286 PolarHBondContact N-O 3.24Å; F265-F287 HydrophobicContact CB-CD1 3.69Å; F265-F287 HydrophobicContact CB-CE1 3.78Å; F265-F287 HydrophobicContact CB-CG 4.24Å; F265-F287 HydrophobicContact CB-CZ 4.34Å; F265-F287 AromaticContact CD1-CD1 3.7Å; F265-F287 HydrophobicContact CD1-CD1 3.7Å; F265-F287 AromaticContact CD1-CE1 3.84Å; F265-F287 HydrophobicContact CD1-CE1 3.84Å; F265-F287 HydrophobicContact CD2-CD1 4.37Å; F265-F287 AromaticContact CD2-CE1 3.75Å; F265-F287 HydrophobicContact CD2-CE1 3.75Å; F265-F287 HydrophobicContact CD2-CZ 4.37Å; F265-F287 HydrophobicContact CE1-CD1 4.43Å; F265-F287 HydrophobicContact CE1-CE1 4.35Å; F265-F287 HydrophobicContact CE2-CE1 4.26Å; F265-F287 AromaticContact CG-CD1 3.67Å; F265-F287 HydrophobicContact CG-CD1 3.67Å; F265-F287 AromaticContact CG-CE1 3.51Å; F265-F287 HydrophobicContact CG-CE1 3.51Å; F265-F287 HydrophobicContact CG-CZ 4.36Å; F265-V288 PolarHBondContact O-N 3.03Å
266	V	90.9	Very high	78.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.4	-179	-174.9	0	0	0	0	108.3	Y233 F234 H235 F237 M245 V288 W292 F293	Y233-V266 PolarHBondContact O-N 2.71Å; F234-V266 WeakPolarHBondContact CA-O 3.48Å; F234-V266 HydrophobicContact CD1-CB 3.76Å; F234-V266 HydrophobicContact CD1-CG1 4.04Å; F234-V266 HydrophobicContact CD1-CG2 4.28Å; F234-V266 HydrophobicContact CE1-CB 4.04Å; F234-V266 HydrophobicContact CE1-CG1 4.21Å; F234-V266 HydrophobicContact CE1-CG2 4.1Å; H235-V266 PolarHBondContact N-O 3.29Å; F237-V266 HydrophobicContact CZ-CG1 4.42Å; M245-V266 HydrophobicContact CE-CG1 4.43Å; V266-V288 WeakPolarHBondContact CA-O 3.19Å; V266-V288 HydrophobicContact CB-CG2 4.48Å; V266-V288 HydrophobicContact CG2-CG2 3.88Å; V266-W292 HydrophobicContact CG2-CE3 4.2Å; V266-W292 HydrophobicContact CG2-CZ3 4.11Å; V266-F293 HydrophobicContact CG1-CB 4.16Å
267	A	87.9	Confident	77.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	146.1	179.9	0	0	0	0	0	112.5	H235 F265 V288 A290 L310	H235-A267 WeakPolarHBondContact O-CA 3.41Å; F265-A267 HydrophobicContact CD1-CB 4.28Å; F265-A267 HydrophobicContact CE1-CB 4.01Å; A267-V288 PolarHBondContact N-O 3.23Å; A267-V288 VanDerWaalsContact N-O 3.08Å; A267-A290 PolarHBondContact O-N 2.92Å; A267-L310 HydrophobicContact CB-CD1 3.52Å
268	D	83.5	Confident	76.1	Confident	24 Å²	24	55.6 Å²	55.6	13%	0.128	31%	0.313	C	S	.	.			trans	-64.3	140.6	168.3	-173.7	-93.1	0	0	0	110.8	H235 G236 F237 S270 V271	H235-D268 PolarHBondContact O-N 3.49Å; G236-D268 WeakPolarHBondContact O-CB 3.43Å; F237-D268 HydrophobicContact CD1-CB 3.93Å; F237-D268 HydrophobicContact CE1-CB 3.65Å; F237-D268 WeakPolarHBondContact CE1-OD2 3.32Å; F237-D268 HydrophobicContact CE2-CB 4.41Å; F237-D268 HydrophobicContact CG-CB 4.43Å; F237-D268 HydrophobicContact CZ-CB 3.92Å; D268-S270 PolarHBondContact O-N 3.48Å; D268-S270 WeakPolarHBondContact OD1-CA 3.12Å; D268-S270 WeakPolarHBondContact OD1-CB 3.39Å; D268-S270 PolarHBondContact OD1-N 2.84Å; D268-S270 PolarHBondContact OD1-OG 3.04Å; D268-V271 HydrophobicContact CB-CG2 4.27Å; D268-V271 WeakPolarHBondContact O-CB 3.45Å; D268-V271 WeakPolarHBondContact O-CG2 3.04Å; D268-V271 PolarHBondContact O-N 3.3Å
269	P	73.9	Confident	75.2	Confident	44 Å²	44	48.1 Å²	48.1	29%	0.286	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-14.2	178.4	-23.2	34	0	0	0	115.1	V271 N514 R520	P269-V271 VanDerWaalsContact C-N 3.35Å; P269-N514 HydrophobicContact CG-CB 4.42Å; P269-R520 VanDerWaalsContact C-NH2 3.34Å; P269-R520 PolarHBondContact O-NH2 3.2Å; P269-R520 VanDerWaalsContact O-NH2 3.12Å
270	S	70.9	Confident	74.5	Confident	69 Å²	69	47.6 Å²	47.6	48%	0.483	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.3	174	67.1	0	0	0	0	113.9	D268 K272	D268-S270 PolarHBondContact O-N 3.48Å; D268-S270 WeakPolarHBondContact OD1-CA 3.12Å; D268-S270 WeakPolarHBondContact OD1-CB 3.39Å; D268-S270 PolarHBondContact OD1-N 2.84Å; D268-S270 PolarHBondContact OD1-OG 3.04Å; S270-K272 PolarHBondContact O-N 2.9Å
271	V	74.2	Confident	73.7	Confident	27 Å²	27	50 Å²	50	16%	0.164	29%	0.285	C	S	.	.	S	Bend	trans	-71.8	122.4	179.9	-176.1	0	0	0	0	109.2	D268 P269 A273 V276	D268-V271 HydrophobicContact CB-CG2 4.27Å; D268-V271 WeakPolarHBondContact O-CB 3.45Å; D268-V271 WeakPolarHBondContact O-CG2 3.04Å; D268-V271 PolarHBondContact O-N 3.3Å; P269-V271 VanDerWaalsContact C-N 3.35Å; V271-A273 PolarHBondContact O-N 3.27Å; V271-V276 HydrophobicContact CG1-CG2 3.72Å
272	K	67.6	Low	72.9	Confident	153 Å²	153	54.9 Å²	54.9	67%	0.665	30%	0.301	S	S	*	.			trans	-60.5	133.8	177	-66.5	-175.9	-179.7	-178.9	0	110.1	S270 E274 T275	S270-K272 PolarHBondContact O-N 2.9Å; K272-E274 PolarHBondContact O-N 3.2Å; K272-T275 PolarHBondContact O-N 3.09Å; K272-T275 VanDerWaalsContact O-N 3.1Å
273	A	64	Low	72	Confident	55 Å²	55	55.4 Å²	55.4	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-56	-26.8	-179.9	0	0	0	0	0	113.5	V271 V276 S277	V271-A273 PolarHBondContact O-N 3.27Å; A273-V276 PolarHBondContact O-N 2.96Å; A273-S277 WeakPolarHBondContact O-CB 3.45Å; A273-S277 PolarHBondContact O-N 3.48Å; A273-S277 PolarHBondContact O-OG 2.94Å
274	E	61.4	Low	71.4	Confident	156 Å²	156	62.5 Å²	62.5	73%	0.729	34%	0.34	S	S	*	.	H	α-helix	trans	-62.1	-44.1	177.3	-65.5	170.1	-179	0	0	112.4	K272 V276 S277 S278	K272-E274 PolarHBondContact O-N 3.2Å; E274-V276 VanDerWaalsContact C-N 3.27Å; E274-V276 PolarHBondContact O-N 2.82Å; E274-S277 PolarHBondContact O-N 3.48Å; E274-S278 PolarHBondContact O-N 3.26Å
275	T	62.7	Low	71	Confident	71 Å²	71	63.3 Å²	63.3	44%	0.436	35%	0.345	S	S	.	.	H	α-helix	trans	-65.8	-33.5	177.7	-47.1	0	0	0	0	111.7	K272 S278 L279	K272-T275 PolarHBondContact O-N 3.09Å; K272-T275 VanDerWaalsContact O-N 3.1Å; T275-S278 PolarHBondContact O-OG 2.76Å; T275-L279 WeakPolarHBondContact O-CD1 3.13Å
276	V	64.7	Low	70.7	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.012	36%	0.359	C	S	.	.	H	α-helix	trans	-75.8	-36.2	179.2	-175	0	0	0	0	110.8	V271 A273 E274 S278 L279 D280 F287 L310	V271-V276 HydrophobicContact CG1-CG2 3.72Å; A273-V276 PolarHBondContact O-N 2.96Å; E274-V276 VanDerWaalsContact C-N 3.27Å; E274-V276 PolarHBondContact O-N 2.82Å; V276-S278 VanDerWaalsContact C-N 3.35Å; V276-S278 PolarHBondContact O-N 3.42Å; V276-L279 PolarHBondContact O-N 3.42Å; V276-L279 VanDerWaalsContact O-N 3.13Å; V276-D280 PolarHBondContact O-N 2.98Å; V276-F287 HydrophobicContact CG1-CB 4.41Å; V276-F287 HydrophobicContact CG1-CD1 3.29Å; V276-F287 HydrophobicContact CG1-CE1 3.81Å; V276-F287 HydrophobicContact CG1-CG 4.1Å; V276-L310 HydrophobicContact CG1-CB 4.44Å; V276-L310 HydrophobicContact CG1-CD1 4.23Å
277	S	61.5	Low	70.4	Confident	52 Å²	52	66.7 Å²	66.7	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-63.5	-37.6	-178.1	-59.6	0	0	0	0	112.6	A273 E274 L279 D280 E281	A273-S277 WeakPolarHBondContact O-CB 3.45Å; A273-S277 PolarHBondContact O-N 3.48Å; A273-S277 PolarHBondContact O-OG 2.94Å; E274-S277 PolarHBondContact O-N 3.48Å; S277-L279 VanDerWaalsContact C-N 3.3Å; S277-L279 PolarHBondContact O-N 2.93Å; S277-D280 PolarHBondContact O-N 3.16Å; S277-E281 PolarHBondContact O-N 3.05Å
278	S	60.6	Low	70.5	Confident	71 Å²	71	66.7 Å²	66.7	50%	0.497	36%	0.36	S	S	.	.	H	α-helix	trans	-66	-32.7	175.1	53.2	0	0	0	0	113	E274 T275 V276	E274-S278 PolarHBondContact O-N 3.26Å; T275-S278 PolarHBondContact O-OG 2.76Å; V276-S278 VanDerWaalsContact C-N 3.35Å; V276-S278 PolarHBondContact O-N 3.42Å
279	L	64	Low	70.7	Confident	49 Å²	49	66.9 Å²	66.9	26%	0.257	36%	0.363	S	S	.	.	H	α-helix	trans	-79.6	-27.2	177	-73.7	157	0	0	0	112.1	F265 T275 V276 S277 E281 E282 L283 F287	F265-L279 HydrophobicContact CE2-CD1 4.5Å; F265-L279 HydrophobicContact CZ-CD1 4.34Å; T275-L279 WeakPolarHBondContact O-CD1 3.13Å; V276-L279 PolarHBondContact O-N 3.42Å; V276-L279 VanDerWaalsContact O-N 3.13Å; S277-L279 VanDerWaalsContact C-N 3.3Å; S277-L279 PolarHBondContact O-N 2.93Å; L279-E281 VanDerWaalsContact C-N 3.32Å; L279-E281 PolarHBondContact O-N 2.84Å; L279-E282 PolarHBondContact O-N 2.79Å; L279-L283 PolarHBondContact O-N 3.18Å; L279-F287 HydrophobicContact CB-CE1 4.28Å; L279-F287 HydrophobicContact CB-CZ 4.35Å
280	D	64.5	Low	71.4	Confident	11 Å²	11	64.8 Å²	64.8	6%	0.059	35%	0.349	C	S	.	.	H	α-helix	trans	-68.7	-28.2	179.1	-170.5	16.2	0	0	0	112.9	V276 S277 E282 F287 T311 K314	V276-D280 PolarHBondContact O-N 2.98Å; S277-D280 PolarHBondContact O-N 3.16Å; D280-E282 VanDerWaalsContact C-N 3.32Å; D280-F287 VanDerWaalsContact CA-CZ 3.4Å; D280-F287 HydrophobicContact CB-CD2 3.85Å; D280-F287 HydrophobicContact CB-CE1 4.4Å; D280-F287 HydrophobicContact CB-CE2 3.61Å; D280-F287 HydrophobicContact CB-CG 4.38Å; D280-F287 HydrophobicContact CB-CZ 3.88Å; D280-F287 VanDerWaalsContact CG-CD2 3.49Å; D280-F287 WeakPolarHBondContact OD1-CD2 3.45Å; D280-F287 WeakPolarHBondContact OD1-CE2 3.37Å; D280-T311 HydrophobicContact CB-CG2 4.45Å; D280-T311 WeakPolarHBondContact OD2-CB 3.2Å; D280-T311 WeakPolarHBondContact OD2-CG2 3.45Å; D280-T311 PolarHBondContact OD2-OG1 3.12Å; D280-K314 PolarHBondContact O-NZ 2.94Å; D280-K314 WeakPolarHBondContact OD1-CE 3.27Å; D280-K314 IonicContact OD1-NZ 2.92Å; D280-K314 PolarHBondContact OD1-NZ 2.85Å
281	E	61.3	Low	72.2	Confident	175 Å²	175	63 Å²	63	82%	0.818	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-28	174.9	-66.7	-173.3	172.2	0	0	112.7	S277 L279	S277-E281 PolarHBondContact O-N 3.05Å; L279-E281 VanDerWaalsContact C-N 3.32Å; L279-E281 PolarHBondContact O-N 2.84Å
282	E	63.9	Low	73	Confident	159 Å²	159	61.8 Å²	61.8	74%	0.743	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-25.2	-176.3	-63.8	-175.9	168.3	0	0	113.5	L279 D280	L279-E282 PolarHBondContact O-N 2.79Å; D280-E282 VanDerWaalsContact C-N 3.32Å
283	L	68.3	Low	74.2	Confident	23 Å²	23	54.5 Å²	54.5	12%	0.12	29%	0.294	C	S	.	.			trans	-114.9	125.3	-169.8	-61.3	172	0	0	0	111.7	A259 L279 C285 F287	A259-L283 HydrophobicContact CB-CD1 4.27Å; L279-L283 PolarHBondContact O-N 3.18Å; L283-C285 PolarHBondContact O-N 3.5Å; L283-F287 HydrophobicContact CB-CE2 4.43Å; L283-F287 HydrophobicContact CB-CZ 4.22Å; L283-F287 HydrophobicContact CD1-CZ 4.33Å
284	N	73.4	Confident	75.5	Confident	170 Å²	170	51.9 Å²	51.9	91%	0.909	27%	0.272	S	S	*	.			trans	-84.8	61.2	174.5	-165.1	22.1	0	0	0	111.2
285	C	81.5	Confident	76.7	Confident	17 Å²	17	44.9 Å²	44.9	12%	0.115	24%	0.24	C	C	.	.	S	Bend	trans	-133.9	165.9	-178	67.9	0	0	0	0	112.3	C262 S263 L283 F287	C262-C285 VanDerWaalsContact O-CB 3.27Å; C262-C285 WeakPolarHBondContact O-CB 3.48Å; C262-C285 VanDerWaalsContact SG-SG 3.67Å; S263-C285 WeakPolarHBondContact O-CB 3.4Å; L283-C285 PolarHBondContact O-N 3.5Å; C285-F287 VanDerWaalsContact SG-CE2 3.54Å
286	H	83.4	Confident	78	Confident	66 Å²	66	41.5 Å²	41.5	31%	0.306	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.7	175.8	-71.7	-74.4	0	0	0	110.9	S263 H264 F265 V288 E305	S263-H286 PolarHBondContact O-N 3.29Å; H264-H286 CarbonylContact C-O 3.38Å; H264-H286 WeakPolarHBondContact CA-O 3.27Å; H264-H286 AromaticContact NE2-CD2 3.82Å; F265-H286 PolarHBondContact N-O 3.24Å; H286-V288 HydrophobicContact CB-CG1 4.32Å; H286-E305 HydrophobicContact CB-CG 4.45Å
287	F	86.2	Confident	79.3	Confident	6 Å²	6	41.6 Å²	41.6	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	106.6	173.7	-73.7	-93.1	0	0	0	110.7	F265 V276 L279 D280 L283 C285 T309 L310	F265-F287 HydrophobicContact CB-CD1 3.69Å; F265-F287 HydrophobicContact CB-CE1 3.78Å; F265-F287 HydrophobicContact CB-CG 4.24Å; F265-F287 HydrophobicContact CB-CZ 4.34Å; F265-F287 AromaticContact CD1-CD1 3.7Å; F265-F287 HydrophobicContact CD1-CD1 3.7Å; F265-F287 AromaticContact CD1-CE1 3.84Å; F265-F287 HydrophobicContact CD1-CE1 3.84Å; F265-F287 HydrophobicContact CD2-CD1 4.37Å; F265-F287 AromaticContact CD2-CE1 3.75Å; F265-F287 HydrophobicContact CD2-CE1 3.75Å; F265-F287 HydrophobicContact CD2-CZ 4.37Å; F265-F287 HydrophobicContact CE1-CD1 4.43Å; F265-F287 HydrophobicContact CE1-CE1 4.35Å; F265-F287 HydrophobicContact CE2-CE1 4.26Å; F265-F287 AromaticContact CG-CD1 3.67Å; F265-F287 HydrophobicContact CG-CD1 3.67Å; F265-F287 AromaticContact CG-CE1 3.51Å; F265-F287 HydrophobicContact CG-CE1 3.51Å; F265-F287 HydrophobicContact CG-CZ 4.36Å; V276-F287 HydrophobicContact CG1-CB 4.41Å; V276-F287 HydrophobicContact CG1-CD1 3.29Å; V276-F287 HydrophobicContact CG1-CE1 3.81Å; V276-F287 HydrophobicContact CG1-CG 4.1Å; L279-F287 HydrophobicContact CB-CE1 4.28Å; L279-F287 HydrophobicContact CB-CZ 4.35Å; D280-F287 VanDerWaalsContact CA-CZ 3.4Å; D280-F287 HydrophobicContact CB-CD2 3.85Å; D280-F287 HydrophobicContact CB-CE1 4.4Å; D280-F287 HydrophobicContact CB-CE2 3.61Å; D280-F287 HydrophobicContact CB-CG 4.38Å; D280-F287 HydrophobicContact CB-CZ 3.88Å; D280-F287 VanDerWaalsContact CG-CD2 3.49Å; D280-F287 WeakPolarHBondContact OD1-CD2 3.45Å; D280-F287 WeakPolarHBondContact OD1-CE2 3.37Å; L283-F287 HydrophobicContact CB-CE2 4.43Å; L283-F287 HydrophobicContact CB-CZ 4.22Å; L283-F287 HydrophobicContact CD1-CZ 4.33Å; C285-F287 VanDerWaalsContact SG-CE2 3.54Å; F287-T309 VanDerWaalsContact O-CA 3.31Å; F287-T309 WeakPolarHBondContact O-CA 3.42Å; F287-L310 HydrophobicContact CB-CB 4.42Å; F287-L310 PolarHBondContact O-N 3.44Å
288	V	88.5	Confident	80.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.6	-173.2	-63.5	0	0	0	0	112.1	F265 V266 A267 H286 W292 E305 Y308 L310	F265-V288 PolarHBondContact O-N 3.03Å; V266-V288 WeakPolarHBondContact CA-O 3.19Å; V266-V288 HydrophobicContact CB-CG2 4.48Å; V266-V288 HydrophobicContact CG2-CG2 3.88Å; A267-V288 PolarHBondContact N-O 3.23Å; A267-V288 VanDerWaalsContact N-O 3.08Å; H286-V288 HydrophobicContact CB-CG1 4.32Å; V288-W292 HydrophobicContact CB-CB 3.97Å; V288-W292 HydrophobicContact CB-CD2 4.33Å; V288-W292 HydrophobicContact CB-CG 4.1Å; V288-W292 HydrophobicContact CG1-CD2 4.49Å; V288-W292 HydrophobicContact CG1-CG 4.29Å; V288-W292 HydrophobicContact CG2-CB 4.21Å; V288-W292 HydrophobicContact CG2-CD2 3.89Å; V288-W292 HydrophobicContact CG2-CE3 3.63Å; V288-W292 HydrophobicContact CG2-CG 4.15Å; V288-W292 HydrophobicContact CG2-CZ3 4.29Å; V288-E305 HydrophobicContact CG1-CB 4.06Å; V288-E305 HydrophobicContact CG1-CG 4.49Å; V288-Y308 CarbonylContact C-O 3.57Å; V288-Y308 VanDerWaalsContact CA-O 3.3Å; V288-Y308 WeakPolarHBondContact CA-O 3.33Å; V288-L310 WeakPolarHBondContact O-CD1 3.13Å
289	T	88.6	Confident	81.6	Confident	28 Å²	28	38 Å²	38	17%	0.172	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	159.2	172.9	63.6	0	0	0	0	111.3	E291 W292 Y308 L310	T289-E291 PolarHBondContact O-N 2.86Å; T289-E291 VanDerWaalsContact O-N 3.14Å; T289-W292 WeakPolarHBondContact O-CB 3.41Å; T289-W292 PolarHBondContact O-N 2.81Å; T289-W292 VanDerWaalsContact O-N 3.13Å; T289-Y308 PolarHBondContact N-O 2.91Å; T289-L310 HydrophobicContact CG2-CD2 3.59Å; T289-L310 HydrophobicContact CG2-CG 4.06Å
290	A	88.6	Confident	82.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-53	-30.7	169.9	0	0	0	0	0	113.3	F237 A267 W292 F293 W294	F237-A290 HydrophobicContact CE1-CB 3.97Å; F237-A290 HydrophobicContact CZ-CB 3.79Å; A267-A290 PolarHBondContact O-N 2.92Å; A290-W292 VanDerWaalsContact C-N 3.29Å; A290-W292 PolarHBondContact O-N 3.43Å; A290-F293 WeakPolarHBondContact O-CB 3.31Å; A290-F293 PolarHBondContact O-N 2.64Å; A290-W294 PolarHBondContact O-N 3.13Å
291	E	86.4	Confident	83.8	Confident	33 Å²	33	40.5 Å²	40.5	15%	0.154	20%	0.204	C	C	.	.	H	α-helix	trans	-57.7	-39.8	178	-171	-179.7	-178	0	0	112	T289 F293 W294 V295 Y308 N514 R515	T289-E291 PolarHBondContact O-N 2.86Å; T289-E291 VanDerWaalsContact O-N 3.14Å; E291-F293 VanDerWaalsContact C-N 3.29Å; E291-F293 PolarHBondContact O-N 2.98Å; E291-W294 PolarHBondContact O-N 3.23Å; E291-V295 HydrophobicContact CG-CG2 3.84Å; E291-V295 WeakPolarHBondContact O-CB 3.17Å; E291-V295 VanDerWaalsContact O-CG2 3.25Å; E291-V295 WeakPolarHBondContact O-CG2 3.48Å; E291-V295 PolarHBondContact O-N 3.14Å; E291-Y308 HydrophobicContact CB-CD1 4.03Å; E291-Y308 HydrophobicContact CB-CE1 4.26Å; E291-Y308 HydrophobicContact CG-CD1 4.01Å; E291-Y308 HydrophobicContact CG-CE1 3.72Å; E291-N514 HydrophobicContact CB-CB 4.38Å; E291-R515 IonicContact OE1-NH1 3.03Å
292	W	91.2	Very high	85.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56	-44.6	176.8	173.3	83.2	0	0	0	112.4	F227 L230 L232 H264 V266 V288 T289 A290 S296 A303 E305 Y308	F227-W292 AromaticContact CD1-CH2 3.89Å; F227-W292 HydrophobicContact CD1-CH2 3.89Å; F227-W292 HydrophobicContact CD1-CZ2 4.48Å; F227-W292 HydrophobicContact CD1-CZ3 4.39Å; F227-W292 AromaticContact CE1-CH2 3.73Å; F227-W292 HydrophobicContact CE1-CH2 3.73Å; F227-W292 HydrophobicContact CE1-CZ2 4.26Å; F227-W292 AromaticContact CE1-CZ3 3.89Å; F227-W292 HydrophobicContact CE1-CZ3 3.89Å; L230-W292 HydrophobicContact CD1-CH2 3.87Å; L230-W292 HydrophobicContact CD1-CZ2 4.14Å; L232-W292 HydrophobicContact CD2-CH2 3.95Å; L232-W292 HydrophobicContact CD2-CZ3 3.99Å; H264-W292 HydrophobicContact CB-CH2 4.35Å; H264-W292 HydrophobicContact CB-CZ3 4.44Å; H264-W292 AromaticContact CD2-CH2 3.62Å; H264-W292 AromaticContact CD2-CZ2 3.61Å; H264-W292 AromaticContact CG-CH2 3.92Å; H264-W292 AromaticContact NE2-CZ2 3.87Å; V266-W292 HydrophobicContact CG2-CE3 4.2Å; V266-W292 HydrophobicContact CG2-CZ3 4.11Å; V288-W292 HydrophobicContact CB-CB 3.97Å; V288-W292 HydrophobicContact CB-CD2 4.33Å; V288-W292 HydrophobicContact CB-CG 4.1Å; V288-W292 HydrophobicContact CG1-CD2 4.49Å; V288-W292 HydrophobicContact CG1-CG 4.29Å; V288-W292 HydrophobicContact CG2-CB 4.21Å; V288-W292 HydrophobicContact CG2-CD2 3.89Å; V288-W292 HydrophobicContact CG2-CE3 3.63Å; V288-W292 HydrophobicContact CG2-CG 4.15Å; V288-W292 HydrophobicContact CG2-CZ3 4.29Å; T289-W292 WeakPolarHBondContact O-CB 3.41Å; T289-W292 PolarHBondContact O-N 2.81Å; T289-W292 VanDerWaalsContact O-N 3.13Å; A290-W292 VanDerWaalsContact C-N 3.29Å; A290-W292 PolarHBondContact O-N 3.43Å; W292-S296 VanDerWaalsContact O-CB 3.3Å; W292-S296 WeakPolarHBondContact O-CB 3.02Å; W292-S296 PolarHBondContact O-N 2.86Å; W292-S296 PolarHBondContact O-OG 2.82Å; W292-A303 PolarHBondContact NE1-O 3.05Å; W292-E305 HydrophobicContact CZ2-CG 4.42Å; W292-Y308 HydrophobicContact CB-CD1 4.47Å; W292-Y308 HydrophobicContact CB-CD2 4Å; W292-Y308 HydrophobicContact CB-CG 3.8Å; W292-Y308 AromaticContact CD1-CD2 3.8Å; W292-Y308 HydrophobicContact CG-CD2 4.33Å
293	F	93.2	Very high	86.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-48.8	-179.4	175.1	-99.2	0	0	0	110.6	F227 L232 F234 M245 L248 A249 V266 A290 E291 S296 I297	F227-F293 HydrophobicContact CD2-CE2 4.25Å; F227-F293 HydrophobicContact CE1-CD2 4.37Å; F227-F293 AromaticContact CE2-CD2 3.64Å; F227-F293 HydrophobicContact CE2-CD2 3.64Å; F227-F293 AromaticContact CE2-CE2 3.43Å; F227-F293 HydrophobicContact CE2-CE2 3.43Å; F227-F293 VanDerWaalsContact CE2-CE2 3.43Å; F227-F293 HydrophobicContact CE2-CZ 4.3Å; F227-F293 AromaticContact CZ-CD2 3.48Å; F227-F293 HydrophobicContact CZ-CD2 3.48Å; F227-F293 VanDerWaalsContact CZ-CD2 3.48Å; F227-F293 AromaticContact CZ-CE2 3.82Å; F227-F293 HydrophobicContact CZ-CE2 3.82Å; F227-F293 HydrophobicContact CZ-CG 4.24Å; L232-F293 HydrophobicContact CD1-CD2 4.13Å; L232-F293 HydrophobicContact CD1-CE2 4.08Å; F234-F293 AromaticContact CE1-CD2 3.93Å; F234-F293 HydrophobicContact CE1-CD2 3.93Å; F234-F293 AromaticContact CE1-CE2 3.97Å; F234-F293 HydrophobicContact CE1-CE2 3.97Å; F234-F293 HydrophobicContact CE1-CG 4.3Å; F234-F293 HydrophobicContact CE1-CZ 4.37Å; F234-F293 HydrophobicContact CZ-CD2 4.12Å; F234-F293 AromaticContact CZ-CE2 3.72Å; F234-F293 HydrophobicContact CZ-CE2 3.72Å; F234-F293 HydrophobicContact CZ-CZ 4.12Å; M245-F293 HydrophobicContact CB-CE1 4.16Å; M245-F293 HydrophobicContact CB-CZ 4.25Å; M245-F293 HydrophobicContact CE-CB 4.49Å; M245-F293 HydrophobicContact CE-CD1 3.48Å; M245-F293 VanDerWaalsContact CE-CD1 3.48Å; M245-F293 HydrophobicContact CE-CE1 3.79Å; M245-F293 HydrophobicContact CE-CG 4.02Å; M245-F293 HydrophobicContact CG-CE1 4.07Å; M245-F293 WeakPolarHBondContact O-CZ 3.36Å; L248-F293 HydrophobicContact CB-CZ 4.14Å; A249-F293 HydrophobicContact CB-CE2 3.98Å; A249-F293 HydrophobicContact CB-CZ 4.36Å; V266-F293 HydrophobicContact CG1-CB 4.16Å; A290-F293 WeakPolarHBondContact O-CB 3.31Å; A290-F293 PolarHBondContact O-N 2.64Å; E291-F293 VanDerWaalsContact C-N 3.29Å; E291-F293 PolarHBondContact O-N 2.98Å; F293-S296 PolarHBondContact O-N 2.86Å; F293-I297 HydrophobicContact CD1-CD1 4.09Å; F293-I297 HydrophobicContact CE1-CD1 3.53Å; F293-I297 HydrophobicContact CE2-CD1 4.08Å; F293-I297 HydrophobicContact CZ-CD1 3.53Å; F293-I297 PolarHBondContact O-N 3.1Å
294	W	90.8	Very high	87	Confident	1 Å²	1	27.4 Å²	27.4	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-69	-42.9	-178.2	-64.2	118.8	0	0	0	112.8	M245 L248 A290 E291 S296 I297 Q298 H506 A507 K510 A511	M245-W294 HydrophobicContact CE-CZ2 4.18Å; M245-W294 HydrophobicContact CG-CH2 4.03Å; M245-W294 HydrophobicContact CG-CZ2 3.76Å; M245-W294 HydrophobicContact SD-CZ2 4.12Å; L248-W294 HydrophobicContact CD1-CH2 3.91Å; L248-W294 HydrophobicContact CD1-CZ3 3.61Å; A290-W294 PolarHBondContact O-N 3.13Å; E291-W294 PolarHBondContact O-N 3.23Å; W294-S296 VanDerWaalsContact C-N 3.27Å; W294-S296 PolarHBondContact O-N 2.84Å; W294-I297 HydrophobicContact CE3-CD1 4.37Å; W294-I297 PolarHBondContact O-N 3.22Å; W294-Q298 WeakPolarHBondContact O-CB 3.43Å; W294-Q298 PolarHBondContact O-N 2.91Å; W294-H506 AromaticContact CH2-CD2 3.92Å; W294-H506 AromaticContact CH2-NE2 3.7Å; W294-H506 AromaticContact CZ3-CD2 3.65Å; W294-H506 AromaticContact CZ3-NE2 3.93Å; W294-A507 HydrophobicContact CE3-CB 3.87Å; W294-A507 WeakPolarHBondContact O-CB 3.48Å; W294-K510 HydrophobicContact CB-CB 4.32Å; W294-K510 HydrophobicContact CD2-CB 3.49Å; W294-K510 VanDerWaalsContact CD2-CB 3.49Å; W294-K510 HydrophobicContact CD2-CG 4.15Å; W294-K510 HydrophobicContact CE3-CB 4Å; W294-K510 HydrophobicContact CE3-CG 4.41Å; W294-K510 HydrophobicContact CG-CB 3.63Å; W294-K510 HydrophobicContact CH2-CG 4.23Å; W294-K510 HydrophobicContact CZ2-CB 4.19Å; W294-K510 HydrophobicContact CZ2-CD 4.31Å; W294-K510 HydrophobicContact CZ2-CG 3.99Å; W294-K510 HydrophobicContact CZ3-CG 4.43Å; W294-A511 HydrophobicContact CB-CB 3.83Å
295	V	87.6	Confident	87.7	Confident	9 Å²	9	19.5 Å²	19.5	6%	0.055	10%	0.104	C	C	.	.	H	α-helix	trans	-61.5	-38.6	175.7	171.9	0	0	0	0	111	E291 I297 Q298 L299 A303 Y308 A511	E291-V295 HydrophobicContact CG-CG2 3.84Å; E291-V295 WeakPolarHBondContact O-CB 3.17Å; E291-V295 VanDerWaalsContact O-CG2 3.25Å; E291-V295 WeakPolarHBondContact O-CG2 3.48Å; E291-V295 PolarHBondContact O-N 3.14Å; V295-I297 PolarHBondContact O-N 2.76Å; V295-Q298 PolarHBondContact O-N 2.85Å; V295-L299 HydrophobicContact CG1-CD1 3.6Å; V295-L299 HydrophobicContact CG1-CG 4.11Å; V295-L299 WeakPolarHBondContact O-CB 3.11Å; V295-L299 WeakPolarHBondContact O-CG 3.34Å; V295-L299 PolarHBondContact O-N 3.32Å; V295-A303 HydrophobicContact CG1-CB 4.13Å; V295-Y308 HydrophobicContact CG2-CE1 4.44Å; V295-A511 HydrophobicContact CG2-CB 3.83Å
296	S	90.5	Very high	87.8	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-41.9	178.5	-61.4	0	0	0	0	112.4	W292 F293 W294 D300 L301 A303	W292-S296 VanDerWaalsContact O-CB 3.3Å; W292-S296 WeakPolarHBondContact O-CB 3.02Å; W292-S296 PolarHBondContact O-N 2.86Å; W292-S296 PolarHBondContact O-OG 2.82Å; F293-S296 PolarHBondContact O-N 2.86Å; W294-S296 VanDerWaalsContact C-N 3.27Å; W294-S296 PolarHBondContact O-N 2.84Å; S296-D300 PolarHBondContact O-N 2.78Å; S296-D300 VanDerWaalsContact O-N 3.13Å; S296-L301 CarbonylContact C-O 3.57Å; S296-L301 WeakPolarHBondContact CA-O 3.19Å; S296-L301 VanDerWaalsContact CB-O 3.26Å; S296-L301 WeakPolarHBondContact CB-O 3.4Å; S296-L301 PolarHBondContact O-N 2.93Å; S296-L301 VanDerWaalsContact O-N 3.15Å; S296-A303 VanDerWaalsContact OG-CB 3.29Å; S296-A303 WeakPolarHBondContact OG-CB 3.23Å; S296-A303 PolarHBondContact OG-N 3.2Å
297	I	90.6	Very high	87.8	Confident	3 Å²	3	25.1 Å²	25.1	2%	0.015	13%	0.132	C	C	.	.	H	α-helix	trans	-68.1	-43.8	175.4	-64.4	171.2	0	0	0	110.6	F227 L248 F293 W294 V295 L299 D300 A507	F227-I297 HydrophobicContact CE2-CD1 4.03Å; F227-I297 HydrophobicContact CE2-CG1 3.66Å; F227-I297 HydrophobicContact CZ-CD1 4.47Å; F227-I297 HydrophobicContact CZ-CG1 3.92Å; L248-I297 HydrophobicContact CB-CD1 4.21Å; F293-I297 HydrophobicContact CD1-CD1 4.09Å; F293-I297 HydrophobicContact CE1-CD1 3.53Å; F293-I297 HydrophobicContact CE2-CD1 4.08Å; F293-I297 HydrophobicContact CZ-CD1 3.53Å; F293-I297 PolarHBondContact O-N 3.1Å; W294-I297 HydrophobicContact CE3-CD1 4.37Å; W294-I297 PolarHBondContact O-N 3.22Å; V295-I297 PolarHBondContact O-N 2.76Å; I297-L299 PolarHBondContact O-N 3.16Å; I297-D300 PolarHBondContact O-N 2.82Å; I297-A507 HydrophobicContact CB-CB 3.76Å; I297-A507 HydrophobicContact CG2-CB 3.61Å
298	Q	86.5	Confident	87.6	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.019	14%	0.138	C	C	.	.	H	α-helix	trans	-57.1	-49.5	179.5	175.6	-167.2	-38.7	0	0	111.6	W294 V295 D300 L428 R504 A507 F508	W294-Q298 WeakPolarHBondContact O-CB 3.43Å; W294-Q298 PolarHBondContact O-N 2.91Å; V295-Q298 PolarHBondContact O-N 2.85Å; Q298-D300 VanDerWaalsContact C-N 3.28Å; Q298-D300 PolarHBondContact O-N 3.24Å; Q298-L428 HydrophobicContact CG-CD1 4.24Å; Q298-R504 PolarHBondContact O-NE 3.38Å; Q298-R504 PolarHBondContact O-NH2 3.2Å; Q298-A507 HydrophobicContact CB-CB 4.33Å; Q298-F508 HydrophobicContact CG-CB 4.07Å; Q298-F508 HydrophobicContact CG-CD2 4.37Å
299	L	84.9	Confident	87.2	Confident	44 Å²	44	29 Å²	29	23%	0.23	15%	0.153	C	C	.	.	H	α-helix	trans	-80	-8.2	-176.6	-63.2	178.3	0	0	0	113.4	V295 I297 L301 V422	V295-L299 HydrophobicContact CG1-CD1 3.6Å; V295-L299 HydrophobicContact CG1-CG 4.11Å; V295-L299 WeakPolarHBondContact O-CB 3.11Å; V295-L299 WeakPolarHBondContact O-CG 3.34Å; V295-L299 PolarHBondContact O-N 3.32Å; I297-L299 PolarHBondContact O-N 3.16Å; L299-L301 HydrophobicContact CB-CD1 3.96Å; L299-L301 HydrophobicContact CB-CD2 4.06Å; L299-L301 HydrophobicContact CB-CG 3.63Å; L299-L301 HydrophobicContact CD1-CD1 4.07Å; L299-L301 PolarHBondContact O-N 2.87Å; L299-V422 WeakPolarHBondContact CD2-O 3.47Å
300	D	86.1	Confident	86.4	Confident	65 Å²	65	29.7 Å²	29.7	35%	0.348	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	37.6	-173.6	-160.7	37.2	0	0	0	113	S296 I297 Q298	S296-D300 PolarHBondContact O-N 2.78Å; S296-D300 VanDerWaalsContact O-N 3.13Å; I297-D300 PolarHBondContact O-N 2.82Å; Q298-D300 VanDerWaalsContact C-N 3.28Å; Q298-D300 PolarHBondContact O-N 3.24Å
301	L	87.6	Confident	85.2	Confident	47 Å²	47	30.9 Å²	30.9	25%	0.246	16%	0.162	C	C	.	.	S	Bend	trans	-155.3	158.3	179	55.9	85.9	0	0	0	110.5	V188 S296 L299 A303	V188-L301 HydrophobicContact CG1-CD1 3.9Å; V188-L301 HydrophobicContact CG1-CD2 4.26Å; S296-L301 CarbonylContact C-O 3.57Å; S296-L301 WeakPolarHBondContact CA-O 3.19Å; S296-L301 VanDerWaalsContact CB-O 3.26Å; S296-L301 WeakPolarHBondContact CB-O 3.4Å; S296-L301 PolarHBondContact O-N 2.93Å; S296-L301 VanDerWaalsContact O-N 3.15Å; L299-L301 HydrophobicContact CB-CD1 3.96Å; L299-L301 HydrophobicContact CB-CD2 4.06Å; L299-L301 HydrophobicContact CB-CG 3.63Å; L299-L301 HydrophobicContact CD1-CD1 4.07Å; L299-L301 PolarHBondContact O-N 2.87Å; L301-A303 PolarHBondContact O-N 3.42Å
302	C	89.8	Confident	83.6	Confident	7 Å²	7	39.1 Å²	39.1	5%	0.047	20%	0.197	C	C	.	.			trans	-71.9	115.8	175.4	-163.8	0	0	0	0	109.5	T179 Y184 P226	T179-C302 HydrophobicContact CG2-CB 3.99Å; Y184-C302 HydrophobicContact CE1-CB 3.83Å; Y184-C302 PolarHBondContact OH-N 3.02Å; P226-C302 VanDerWaalsContact O-CB 3.24Å; P226-C302 WeakPolarHBondContact O-CB 3.48Å
303	A	87	Confident	81.4	Confident	6 Å²	6	42.9 Å²	42.9	5%	0.05	23%	0.228	C	C	.	.			trans	-65.7	151.7	174.5	0	0	0	0	0	110.5	W292 V295 S296 L301 E305 Y308	W292-A303 PolarHBondContact NE1-O 3.05Å; V295-A303 HydrophobicContact CG1-CB 4.13Å; S296-A303 VanDerWaalsContact OG-CB 3.29Å; S296-A303 WeakPolarHBondContact OG-CB 3.23Å; S296-A303 PolarHBondContact OG-N 3.2Å; L301-A303 PolarHBondContact O-N 3.42Å; A303-E305 PolarHBondContact O-N 2.96Å; A303-Y308 HydrophobicContact CB-CE2 3.96Å
304	N	85.3	Confident	79	Confident	70 Å²	70	47.6 Å²	47.6	37%	0.374	25%	0.249	S	C	.	.			trans	-67.4	118.6	177.7	-176.3	5.2	0	0	0	110.3	D306 M307 Y308	N304-D306 PolarHBondContact O-N 2.86Å; N304-D306 PolarHBondContact OD1-N 3.38Å; N304-M307 HydrophobicContact CB-CG 4.39Å; N304-M307 PolarHBondContact O-N 3.21Å; N304-Y308 VanDerWaalsContact O-CD2 3.24Å; N304-Y308 WeakPolarHBondContact O-CD2 3.42Å
305	E	87.9	Confident	76.5	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.019	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-59.4	-36.3	-176.1	-56.2	82.1	178.6	0	0	111.8	R185 H264 H286 V288 W292 A303 M307 Y308 T309	R185-E305 IonicContact CZ-OE2 3.24Å; R185-E305 IonicContact NH1-OE2 3.68Å; R185-E305 PolarHBondContact NH1-OE2 2.99Å; H264-E305 WeakPolarHBondContact NE2-CG 3.26Å; H264-E305 IonicContact NE2-OE1 2.61Å; H264-E305 PolarHBondContact NE2-OE1 3.48Å; H286-E305 HydrophobicContact CB-CG 4.45Å; V288-E305 HydrophobicContact CG1-CB 4.06Å; V288-E305 HydrophobicContact CG1-CG 4.49Å; W292-E305 HydrophobicContact CZ2-CG 4.42Å; A303-E305 PolarHBondContact O-N 2.96Å; E305-M307 PolarHBondContact O-N 2.95Å; E305-M307 VanDerWaalsContact O-N 3.11Å; E305-Y308 PolarHBondContact O-N 2.97Å; E305-T309 WeakPolarHBondContact O-CG2 3.34Å; E305-T309 PolarHBondContact O-N 3.37Å
306	D	83.3	Confident	74.1	Confident	59 Å²	59	59.8 Å²	59.8	32%	0.316	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-58.9	-26.4	-177.2	-72.7	-34.8	0	0	0	113.4	N304 Y308 N315	N304-D306 PolarHBondContact O-N 2.86Å; N304-D306 PolarHBondContact OD1-N 3.38Å; D306-Y308 VanDerWaalsContact C-N 3.3Å; D306-N315 PolarHBondContact OD1-ND2 2.97Å
307	M	82.7	Confident	71.4	Confident	141 Å²	141	69.4 Å²	69.4	70%	0.695	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-80.3	-14	-179.3	-65.4	-173.5	67.2	0	0	113.1	N304 E305	N304-M307 HydrophobicContact CB-CG 4.39Å; N304-M307 PolarHBondContact O-N 3.21Å; E305-M307 PolarHBondContact O-N 2.95Å; E305-M307 VanDerWaalsContact O-N 3.11Å
308	Y	82.8	Confident	68.9	Low	38 Å²	38	76.7 Å²	76.7	15%	0.149	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-127.7	19.9	-171.1	-56.5	-82.2	0	0	0	112.1	V288 T289 E291 W292 V295 A303 N304 E305 D306	V288-Y308 CarbonylContact C-O 3.57Å; V288-Y308 VanDerWaalsContact CA-O 3.3Å; V288-Y308 WeakPolarHBondContact CA-O 3.33Å; T289-Y308 PolarHBondContact N-O 2.91Å; E291-Y308 HydrophobicContact CB-CD1 4.03Å; E291-Y308 HydrophobicContact CB-CE1 4.26Å; E291-Y308 HydrophobicContact CG-CD1 4.01Å; E291-Y308 HydrophobicContact CG-CE1 3.72Å; W292-Y308 HydrophobicContact CB-CD1 4.47Å; W292-Y308 HydrophobicContact CB-CD2 4Å; W292-Y308 HydrophobicContact CB-CG 3.8Å; W292-Y308 AromaticContact CD1-CD2 3.8Å; W292-Y308 HydrophobicContact CG-CD2 4.33Å; V295-Y308 HydrophobicContact CG2-CE1 4.44Å; A303-Y308 HydrophobicContact CB-CE2 3.96Å; N304-Y308 VanDerWaalsContact O-CD2 3.24Å; N304-Y308 WeakPolarHBondContact O-CD2 3.42Å; E305-Y308 PolarHBondContact O-N 2.97Å; D306-Y308 VanDerWaalsContact C-N 3.3Å
309	T	80.8	Confident	66.2	Low	51 Å²	51	86.6 Å²	86.6	31%	0.313	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-69.2	135.9	-178	54	0	0	0	0	112.3	F287 E305	F287-T309 VanDerWaalsContact O-CA 3.31Å; F287-T309 WeakPolarHBondContact O-CA 3.42Å; E305-T309 WeakPolarHBondContact O-CG2 3.34Å; E305-T309 PolarHBondContact O-N 3.37Å
310	L	72	Confident	63.4	Low	42 Å²	42	88.5 Å²	88.5	22%	0.22	46%	0.456	C	S	.	.	S	Bend	trans	-78.7	-29.1	176	-71.4	161.5	0	0	0	113	A267 V276 F287 V288 T289	A267-L310 HydrophobicContact CB-CD1 3.52Å; V276-L310 HydrophobicContact CG1-CB 4.44Å; V276-L310 HydrophobicContact CG1-CD1 4.23Å; F287-L310 HydrophobicContact CB-CB 4.42Å; F287-L310 PolarHBondContact O-N 3.44Å; V288-L310 WeakPolarHBondContact O-CD1 3.13Å; T289-L310 HydrophobicContact CG2-CD2 3.59Å; T289-L310 HydrophobicContact CG2-CG 4.06Å
311	T	62.1	Low	60.5	Low	24 Å²	24	90.5 Å²	90.5	15%	0.147	47%	0.474	C	S	.	.			trans	-111.7	121.6	-177.6	51.1	0	0	0	0	110.7	D280 A313	D280-T311 HydrophobicContact CB-CG2 4.45Å; D280-T311 WeakPolarHBondContact OD2-CB 3.2Å; D280-T311 WeakPolarHBondContact OD2-CG2 3.45Å; D280-T311 PolarHBondContact OD2-OG1 3.12Å; T311-A313 PolarHBondContact O-N 2.88Å
312	K	53.4	Low	57.6	Low	207 Å²	207	95 Å²	95	90%	0.9	50%	0.498	S	S	*	.	S	Bend	trans	-74.7	3.5	179.2	-71.1	-175.5	176.8	179.3	0	114.1
313	A	45.1	Very low	54.6	Low	79 Å²	79	105.6 Å²	105.6	65%	0.653	54%	0.537	S	S	*	.	S	Bend	trans	-98.3	-22.9	-159.1	0	0	0	0	0	116.7	T311	T311-A313 PolarHBondContact O-N 2.88Å
314	K	41.8	Very low	51.8	Low	99 Å²	99	112.6 Å²	112.6	43%	0.43	57%	0.573	S	S	.	*	S	Bend	trans	-90.3	-18.2	-173.5	-81.9	179	178.8	166.6	0	115.8	D280 Q316	D280-K314 PolarHBondContact O-NZ 2.94Å; D280-K314 WeakPolarHBondContact OD1-CE 3.27Å; D280-K314 IonicContact OD1-NZ 2.92Å; D280-K314 PolarHBondContact OD1-NZ 2.85Å; K314-Q316 PolarHBondContact O-N 3.48Å
315	N	39.2	Very low	49	Very low	88 Å²	88	118.2 Å²	118.2	47%	0.471	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.9	-7.3	-173.8	-85.1	-13.1	0	0	0	116	D306	D306-N315 PolarHBondContact OD1-ND2 2.97Å
316	Q	38	Very low	46.1	Very low	177 Å²	177	126.5 Å²	126.5	83%	0.827	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-17.2	176.2	-74.5	-177.4	2.3	0	0	114.4	K314	K314-Q316 PolarHBondContact O-N 3.48Å
317	K	33.7	Very low	43.4	Very low	202 Å²	202	129.2 Å²	129.2	88%	0.878	66%	0.658	S	S	*	*	S	Bend	trans	-92.7	-11.8	-176.7	-81.7	-177.5	176.5	176.5	0	115.4
318	L	36.8	Very low	40.8	Very low	157 Å²	157	127.4 Å²	127.4	82%	0.822	67%	0.665	S	S	*	*	S	Bend	trans	-102.8	-1.1	177.5	-91.3	121.1	0	0	0	114.6
319	R	30.4	Very low	38.2	Very low	212 Å²	212	136.2 Å²	136.2	80%	0.8	70%	0.7	S	S	*	*			trans	-119.3	80	176.7	-72.8	-168.4	177.3	-160.1	3.1	111.4	C321	R319-C321 PolarHBondContact O-N 2.77Å
320	G	25.1	Very low	35.6	Very low	84 Å²	84	139.4 Å²	139.4	87%	0.866	72%	0.715	S	S	*	*			trans	-79	92.2	159.1	0	0	0	0	0	110
321	C	26.6	Very low	33.6	Very low	107 Å²	107	148.9 Å²	148.9	72%	0.723	75%	0.748	S	S	*	*			trans	-177	112	143.5	-141.1	0	0	0	0	112.1	R319	R319-C321 PolarHBondContact O-N 2.77Å
322	N	26.6	Very low	32	Very low	140 Å²	140	155.7 Å²	155.7	75%	0.749	78%	0.778	S	S	*	*			trans	57.1	120.2	142.8	-64	-13.7	0	0	0	122.7
323	R	26.2	Very low	30.9	Very low	230 Å²	230	151.7 Å²	151.7	87%	0.868	78%	0.776	S	S	*	*			trans	75.7	133.9	142.6	-79.6	-171.1	176.9	-170.4	0.4	116.3
324	L	29.1	Very low	30	Very low	154 Å²	154	151.7 Å²	151.7	81%	0.806	78%	0.784	S	S	*	*			cis	-161.8	137.4	14.5	-99.9	152.6	0	0	0	108
325	E	25.3	Very low	29.4	Very low	188 Å²	188	150.5 Å²	150.5	88%	0.879	80%	0.8	S	S	*	*			trans	-76.6	144.2	176.6	-67.5	177	148.6	0	0	112.4
326	M	26.2	Very low	28.9	Very low	178 Å²	178	155.6 Å²	155.6	88%	0.877	82%	0.818	S	S	*	*			trans	-139.4	143.2	151	-83.1	-58.5	-74.9	0	0	110.2
327	P	28.4	Very low	28.3	Very low	115 Å²	115	154.3 Å²	154.3	75%	0.747	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-91.1	140.4	-152.4	34.1	-32.4	0	0	0	114.2
328	A	26.8	Very low	28.2	Very low	103 Å²	103	151.1 Å²	151.1	85%	0.851	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-82.1	124.2	171.1	0	0	0	0	0	110.9	N330	A328-N330 PolarHBondContact O-N 2.85Å
329	Y	28.9	Very low	27.7	Very low	224 Å²	224	150.4 Å²	150.4	88%	0.878	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-79.9	116.2	171.6	-143.1	-91.1	0	0	0	109.9
330	N	25.8	Very low	27.7	Very low	117 Å²	117	145.6 Å²	145.6	63%	0.626	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-60.4	143.8	171	-113	-23.4	0	0	0	111.7	A328	A328-N330 PolarHBondContact O-N 2.85Å
331	R	29.1	Very low	27.8	Very low	241 Å²	241	146.6 Å²	146.6	91%	0.909	80%	0.802	S	S	*	*			trans	-145.5	100.1	136	-101.1	-176	-168.7	178.8	3.4	110.5
332	Q	29.1	Very low	28	Very low	167 Å²	167	152.4 Å²	152.4	78%	0.78	81%	0.809	S	S	*	*			trans	-64.5	141.8	159.2	-67.4	167.5	-12.5	0	0	109.9
333	S	30.4	Very low	28	Very low	123 Å²	123	151.9 Å²	151.9	86%	0.86	81%	0.806	S	S	*	*				-164.5	105.6	129.4	-170.7	0	0	0	0	109.1
334	G	25.9	Very low	28.1	Very low	79 Å²	79	151.3 Å²	151.3	81%	0.814	80%	0.804	S	S	*	*			trans	-91.6	155	164.3	0	0	0	0	0	110.5
335	G	29.3	Very low	28.1	Very low	75 Å²	75	148.2 Å²	148.2	77%	0.773	80%	0.795	S	S	*	*			trans	-169.3	88.2	173.1	0	0	0	0	0	113.7
336	K	29.1	Very low	28.2	Very low	194 Å²	194	147.1 Å²	147.1	84%	0.843	79%	0.79	S	S	*	*			trans	36.9	114.9	144.2	-68.8	178.3	174.4	178.4	0	119.7
337	I	26	Very low	28.2	Very low	151 Å²	151	147 Å²	147	77%	0.774	79%	0.787	S	S	*	*				56	116.3	92.5	-57	165.8	0	0	0	113.7
338	V	31	Very low	28.1	Very low	135 Å²	135	146.5 Å²	146.5	82%	0.818	79%	0.793	S	S	*	*				-158.2	130.1	126	178.5	0	0	0	0	110.1
339	D	25.6	Very low	28.2	Very low	142 Å²	142	145.1 Å²	145.1	76%	0.759	79%	0.788	S	S	*	*			trans	-88.8	138.7	172.2	-168.7	4.3	0	0	0	110
340	S	31.3	Very low	28.2	Very low	111 Å²	111	144.2 Å²	144.2	78%	0.776	79%	0.792	S	S	*	*			trans	-168.9	116.2	157.9	39.1	0	0	0	0	113.5
341	S	26.6	Very low	28.3	Very low	104 Å²	104	142.4 Å²	142.4	73%	0.727	80%	0.801	S	S	*	*			trans	-75.9	143	168.7	-27.3	0	0	0	0	111.9
342	R	30.6	Very low	28.1	Very low	229 Å²	229	138.6 Å²	138.6	86%	0.864	80%	0.799	S	S	*	*				170.4	121.7	128.9	-101.4	173	162.3	168.1	-4.7	114.7
343	N	28	Very low	28.1	Very low	129 Å²	129	137.3 Å²	137.3	69%	0.69	80%	0.802	S	S	*	*				59.7	122.7	128.7	-77.5	-2.6	0	0	0	123.3
344	R	28	Very low	27.9	Very low	219 Å²	219	136.8 Å²	136.8	83%	0.826	80%	0.798	S	S	*	*				106.4	119.8	115.9	-90.7	-173.9	-179	-159	-1.4	119.9
345	S	28.6	Very low	28.4	Very low	88 Å²	88	139.1 Å²	139.1	62%	0.615	79%	0.792	S	S	*	*				91.2	108.7	125.5	-63.9	0	0	0	0	120.4
346	E	27.2	Very low	28.3	Very low	166 Å²	166	144.5 Å²	144.5	78%	0.776	80%	0.797	S	S	*	*				74	120.4	117.2	-74.1	173.1	176.3	0	0	122.1
347	E	26.5	Very low	28.6	Very low	176 Å²	176	138.9 Å²	138.9	82%	0.822	78%	0.775	S	S	*	*				91.3	119.8	128.6	-74.7	-170.6	173.8	0	0	122.4
348	A	27.3	Very low	29	Very low	104 Å²	104	134.7 Å²	134.7	86%	0.86	76%	0.759	S	S	*	*				105.5	128.7	129.4	0	0	0	0	0	118.8
349	G	27.9	Very low	29.4	Very low	73 Å²	73	133.4 Å²	133.4	75%	0.753	76%	0.756	S	S	*	*			trans	133.9	74.4	145.2	0	0	0	0	0	118.4
350	Q	28.1	Very low	29.9	Very low	205 Å²	205	133.9 Å²	133.9	96%	0.958	75%	0.754	S	S	*	*			trans	34.4	129.9	134.5	-68	170.1	-14.4	0	0	121.7
351	G	28.1	Very low	30.2	Very low	80 Å²	80	131.1 Å²	131.1	83%	0.825	73%	0.729	S	S	*	*			trans	165	87.7	155.5	0	0	0	0	0	116.1
352	N	26	Very low	30.5	Very low	160 Å²	160	130 Å²	130	86%	0.856	72%	0.722	S	S	*	*			trans	-46.6	142.1	178.5	-71.3	-25.2	0	0	0	117.1
353	V	29.1	Very low	30.8	Very low	141 Å²	141	123.7 Å²	123.7	86%	0.855	71%	0.713	S	S	*	*				-154.7	101.1	118.9	-167.1	0	0	0	0	108.8
354	S	26.5	Very low	31.4	Very low	111 Å²	111	121.1 Å²	121.1	78%	0.776	70%	0.702	S	S	*	*			trans	-82.9	122.2	175.4	-174.3	0	0	0	0	110.1
355	L	36.4	Very low	31.9	Very low	129 Å²	129	114.5 Å²	114.5	68%	0.675	68%	0.682	S	S	*	*			trans	-109.9	102.8	172.6	-135	135.3	0	0	0	106.1	L357	L355-L357 VanDerWaalsContact C-N 3.3Å; L355-L357 PolarHBondContact O-N 3.43Å
356	E	27.4	Very low	32.2	Very low	188 Å²	188	116.6 Å²	116.6	88%	0.879	69%	0.687	S	S	*	*			trans	-63.2	87.5	-178.3	-70.1	-170.9	159.3	0	0	110.8
357	L	33.7	Very low	32.8	Very low	76 Å²	76	115.8 Å²	115.8	40%	0.398	68%	0.683	S	S	.	*			trans	-78.1	133.4	155.5	-80.7	141.6	0	0	0	107	L355 S359	L355-L357 VanDerWaalsContact C-N 3.3Å; L355-L357 PolarHBondContact O-N 3.43Å; L357-S359 PolarHBondContact O-N 2.88Å
358	S	35.9	Very low	33.7	Very low	63 Å²	63	108.3 Å²	108.3	44%	0.441	65%	0.648	S	S	.	*			trans	-38.7	130.7	178.3	45.5	0	0	0	0	111.6	E360 M361	S358-E360 PolarHBondContact O-N 2.9Å; S358-M361 PolarHBondContact O-N 3.36Å
359	S	37.8	Very low	34.1	Very low	107 Å²	107	105.4 Å²	105.4	75%	0.748	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	-11.3	-169.6	58.2	0	0	0	0	116.2	L357	L357-S359 PolarHBondContact O-N 2.88Å
360	E	37.7	Very low	34.4	Very low	152 Å²	152	104.5 Å²	104.5	71%	0.71	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-20.7	177.4	-61.9	-177.5	158.8	0	0	113.5	S358	S358-E360 PolarHBondContact O-N 2.9Å
361	M	37.3	Very low	34.8	Very low	53 Å²	53	98.5 Å²	98.5	26%	0.261	58%	0.579	S	S	.	*	S	Bend	trans	-89.6	-14.3	178.9	-112.6	89.5	86.9	0	0	113.9	S358	S358-M361 PolarHBondContact O-N 3.36Å
362	S	31.5	Very low	35.2	Very low	82 Å²	82	101 Å²	101	57%	0.573	57%	0.569	S	S	*	*	S	Bend	trans	-86.9	-18.9	-171.3	-168.9	0	0	0	0	114.1
363	S	37	Very low	35.8	Very low	96 Å²	96	96.9 Å²	96.9	67%	0.671	55%	0.547	S	S	*	.	S	Bend	trans	-94.6	7.4	-174.1	56.2	0	0	0	0	114.5
364	T	40.6	Very low	36.4	Very low	75 Å²	75	94 Å²	94	46%	0.46	53%	0.527	S	S	.	.	S	Bend	trans	-124.6	13	-176.9	20.8	0	0	0	0	113.7	D366 Q532	T364-D366 VanDerWaalsContact C-N 3.26Å; T364-D366 PolarHBondContact O-N 3Å; T364-Q532 PolarHBondContact O-NE2 3.31Å
365	L	39.1	Very low	36.9	Very low	79 Å²	79	94.2 Å²	94.2	41%	0.414	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-74.5	-7.1	-175.8	-81.8	162.1	0	0	0	114.8	H367 I368	L365-H367 PolarHBondContact O-N 3.18Å; L365-I368 HydrophobicContact CD2-CD1 4.24Å
366	D	34.7	Very low	37.2	Very low	133 Å²	133	92.6 Å²	92.6	71%	0.711	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-86.2	-3.8	-170.4	-67.1	-25.6	0	0	0	115.5	T364	T364-D366 VanDerWaalsContact C-N 3.26Å; T364-D366 PolarHBondContact O-N 3Å
367	H	40.9	Very low	37.6	Very low	149 Å²	149	85.2 Å²	85.2	69%	0.69	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-112.6	3.2	-172.1	-81.2	-59.2	0	0	0	116.4	L365 R529	L365-H367 PolarHBondContact O-N 3.18Å; H367-R529 PolarHBondContact O-NH1 3.02Å
368	I	43.9	Very low	37.9	Very low	19 Å²	19	84.2 Å²	84.2	10%	0.097	48%	0.484	C	S	.	.	S	Bend	trans	-77.1	-33.9	-177.3	-55.1	145.6	0	0	0	111.4	L365 Q532	L365-I368 HydrophobicContact CD2-CD1 4.24Å; I368-Q532 HydrophobicContact CD1-CB 3.43Å; I368-Q532 VanDerWaalsContact CD1-CB 3.43Å; I368-Q532 HydrophobicContact CD1-CG 3.65Å; I368-Q532 HydrophobicContact CG1-CB 3.66Å; I368-Q532 HydrophobicContact CG1-CG 3.92Å
369	F	36.8	Very low	38.2	Very low	42 Å²	42	85.2 Å²	85.2	18%	0.184	49%	0.491	C	S	.	.	S	Bend	trans	-153.4	126.4	170	-68.6	-85.3	0	0	0	104.8	S371 D373 L374 T398 K401	F369-S371 PolarHBondContact O-N 3.47Å; F369-D373 HydrophobicContact CB-CB 4.15Å; F369-D373 HydrophobicContact CD1-CB 4.12Å; F369-L374 HydrophobicContact CB-CD1 3.59Å; F369-L374 HydrophobicContact CD1-CD1 4.4Å; F369-L374 HydrophobicContact CD2-CD1 3.98Å; F369-L374 HydrophobicContact CG-CD1 3.74Å; F369-T398 HydrophobicContact CE1-CG2 4.38Å; F369-T398 HydrophobicContact CZ-CG2 4.05Å; F369-K401 HydrophobicContact CE1-CD 3.81Å; F369-K401 HydrophobicContact CZ-CD 4.47Å
370	S	34.9	Very low	38.3	Very low	54 Å²	54	82.9 Å²	82.9	38%	0.378	48%	0.475	S	S	.	.			trans	-50.9	141.7	164.3	179	0	0	0	0	107.1	E372 D373 L374	S370-E372 PolarHBondContact O-N 3.37Å; S370-E372 WeakPolarHBondContact OG-CB 3.36Å; S370-E372 PolarHBondContact OG-N 2.72Å; S370-D373 WeakPolarHBondContact O-CB 3.4Å; S370-D373 PolarHBondContact O-N 2.92Å; S370-L374 PolarHBondContact O-N 2.93Å
371	S	35.8	Very low	38.2	Very low	79 Å²	79	80.7 Å²	80.7	55%	0.552	47%	0.474	S	S	*	.	H	α-helix	trans	-46.7	-32.2	172.1	-163.2	0	0	0	0	110.6	F369 L374 E375	F369-S371 PolarHBondContact O-N 3.47Å; S371-L374 PolarHBondContact O-N 3.11Å; S371-E375 VanDerWaalsContact O-CB 3.25Å; S371-E375 WeakPolarHBondContact O-CB 3.33Å; S371-E375 WeakPolarHBondContact O-CG 3.34Å; S371-E375 PolarHBondContact O-N 3.25Å; S371-E375 PolarHBondContact OG-OE1 2.82Å
372	E	36.2	Very low	38.8	Very low	134 Å²	134	80.9 Å²	80.9	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-63.4	-37.2	174.1	-59.5	177.9	153.7	0	0	114.2	S370 T376	S370-E372 PolarHBondContact O-N 3.37Å; S370-E372 WeakPolarHBondContact OG-CB 3.36Å; S370-E372 PolarHBondContact OG-N 2.72Å; E372-T376 WeakPolarHBondContact O-CB 3.34Å; E372-T376 PolarHBondContact O-N 2.77Å; E372-T376 PolarHBondContact O-OG1 2.89Å
373	D	39.4	Very low	39.3	Very low	73 Å²	73	88.3 Å²	88.3	39%	0.39	49%	0.488	S	S	.	.	H	α-helix	trans	-70.1	-39.6	177.1	-89.9	0.9	0	0	0	111	F369 S370 A377 K401	F369-D373 HydrophobicContact CB-CB 4.15Å; F369-D373 HydrophobicContact CD1-CB 4.12Å; S370-D373 WeakPolarHBondContact O-CB 3.4Å; S370-D373 PolarHBondContact O-N 2.92Å; D373-A377 WeakPolarHBondContact O-CB 2.95Å; D373-A377 PolarHBondContact O-N 2.59Å; D373-K401 IonicContact OD2-NZ 3.71Å; D373-K401 PolarHBondContact OD2-NZ 2.89Å
374	L	40.4	Very low	40.1	Very low	81 Å²	81	87.8 Å²	87.8	42%	0.424	50%	0.497	S	S	.	.	H	α-helix	trans	-69.6	-40.1	175.4	-124.5	86.9	0	0	0	111.1	F369 S370 S371 A378	F369-L374 HydrophobicContact CB-CD1 3.59Å; F369-L374 HydrophobicContact CD1-CD1 4.4Å; F369-L374 HydrophobicContact CD2-CD1 3.98Å; F369-L374 HydrophobicContact CG-CD1 3.74Å; S370-L374 PolarHBondContact O-N 2.93Å; S371-L374 PolarHBondContact O-N 3.11Å; L374-A378 VanDerWaalsContact O-CB 3.23Å; L374-A378 WeakPolarHBondContact O-CB 3.44Å; L374-A378 PolarHBondContact O-N 2.93Å
375	E	38	Very low	41.2	Very low	115 Å²	115	88.1 Å²	88.1	54%	0.537	49%	0.494	S	S	.	.	H	α-helix	trans	-71.6	-36.6	177.2	-76.2	172.5	-154.5	0	0	112.5	S371 A378 S379	S371-E375 VanDerWaalsContact O-CB 3.25Å; S371-E375 WeakPolarHBondContact O-CB 3.33Å; S371-E375 WeakPolarHBondContact O-CG 3.34Å; S371-E375 PolarHBondContact O-N 3.25Å; S371-E375 PolarHBondContact OG-OE1 2.82Å; E375-A378 PolarHBondContact O-N 2.77Å; E375-S379 WeakPolarHBondContact O-CB 3.24Å; E375-S379 PolarHBondContact O-N 3.35Å; E375-S379 PolarHBondContact O-OG 3.18Å
376	T	41.1	Very low	42.7	Very low	95 Å²	95	86.1 Å²	86.1	58%	0.583	49%	0.487	S	S	*	.	H	α-helix	trans	-69.1	-36.5	175.4	-58.1	0	0	0	0	111.1	E372 S379	E372-T376 WeakPolarHBondContact O-CB 3.34Å; E372-T376 PolarHBondContact O-N 2.77Å; E372-T376 PolarHBondContact O-OG1 2.89Å; T376-S379 WeakPolarHBondContact CA-OG 3.09Å; T376-S379 PolarHBondContact O-OG 3.13Å
377	A	37.7	Very low	44.1	Very low	32 Å²	32	87.2 Å²	87.2	26%	0.264	49%	0.486	S	S	.	.	H	α-helix	trans	-68	-36.1	171.2	0	0	0	0	0	112.5	D373	D373-A377 WeakPolarHBondContact O-CB 2.95Å; D373-A377 PolarHBondContact O-N 2.59Å
378	A	40	Very low	45.3	Very low	55 Å²	55	81.7 Å²	81.7	46%	0.455	46%	0.459	S	S	.	.	H	α-helix	trans	-76.8	-25.2	179.3	0	0	0	0	0	114.3	L374 E375	L374-A378 VanDerWaalsContact O-CB 3.23Å; L374-A378 WeakPolarHBondContact O-CB 3.44Å; L374-A378 PolarHBondContact O-N 2.93Å; E375-A378 PolarHBondContact O-N 2.77Å
379	S	41.5	Very low	46.5	Very low	84 Å²	84	82.7 Å²	82.7	59%	0.587	46%	0.463	S	S	*	.	H	α-helix	trans	-97.6	-1.5	-172.4	55	0	0	0	0	115.3	E375 T376 P381	E375-S379 WeakPolarHBondContact O-CB 3.24Å; E375-S379 PolarHBondContact O-N 3.35Å; E375-S379 PolarHBondContact O-OG 3.18Å; T376-S379 WeakPolarHBondContact CA-OG 3.09Å; T376-S379 PolarHBondContact O-OG 3.13Å; S379-P381 VanDerWaalsContact O-CD 3.23Å; S379-P381 WeakPolarHBondContact O-CD 3.4Å
380	S	39.7	Very low	48.2	Very low	59 Å²	59	83.7 Å²	83.7	41%	0.413	47%	0.468	S	S	.	.	S	Bend	trans	-65.4	117	169.1	-179.6	0	0	0	0	109.9	R382	S380-R382 VanDerWaalsContact C-N 3.27Å; S380-R382 PolarHBondContact O-N 3.15Å
381	P	36.3	Very low	50	Low	106 Å²	106	82 Å²	82	69%	0.688	46%	0.456	S	S	*	.			trans	-74	84.4	179.8	29.6	-31.6	0	0	0	109.1	S379 R383	S379-P381 VanDerWaalsContact O-CD 3.23Å; S379-P381 WeakPolarHBondContact O-CD 3.4Å; P381-R383 PolarHBondContact O-N 3.47Å
382	R	49.9	Very low	52	Low	57 Å²	57	78.4 Å²	78.4	22%	0.215	43%	0.431	C	S	.	.			trans	-76	74.1	175.2	-60	-173	-164	-156.8	7.7	109.5	S380 G384 M385 Q397	S380-R382 VanDerWaalsContact C-N 3.27Å; S380-R382 PolarHBondContact O-N 3.15Å; R382-G384 PolarHBondContact O-N 3Å; R382-G384 VanDerWaalsContact O-N 3.14Å; R382-M385 HydrophobicContact CB-CG 4.37Å; R382-M385 HydrophobicContact CB-SD 4.02Å; R382-M385 HydrophobicContact CG-SD 4.47Å; R382-M385 PolarHBondContact O-N 2.95Å; R382-Q397 VanDerWaalsContact NH2-NE2 3.19Å
383	R	41.7	Very low	54	Low	238 Å²	238	72.5 Å²	72.5	90%	0.898	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	116.2	178.2	-65.9	-173.6	-176.7	-174.7	1.5	109.2	P381	P381-R383 PolarHBondContact O-N 3.47Å
384	G	54.4	Low	55.9	Low	85 Å²	85	69.5 Å²	69.5	88%	0.876	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.2	-5	172.4	0	0	0	0	0	116.9	R382	R382-G384 PolarHBondContact O-N 3Å; R382-G384 VanDerWaalsContact O-N 3.14Å
385	M	63.8	Low	58	Low	81 Å²	81	65.9 Å²	65.9	40%	0.399	37%	0.369	S	S	.	.			trans	-92.3	140.6	179.2	-66	-173.7	-177.2	0	0	111.9	R382 Q389	R382-M385 HydrophobicContact CB-CG 4.37Å; R382-M385 HydrophobicContact CB-SD 4.02Å; R382-M385 HydrophobicContact CG-SD 4.47Å; R382-M385 PolarHBondContact O-N 2.95Å; M385-Q389 HydrophobicContact CB-CB 4.16Å; M385-Q389 HydrophobicContact CB-CG 4.26Å; M385-Q389 HydrophobicContact CG-CG 4.27Å; M385-Q389 HydrophobicContact SD-CG 4.2Å
386	S	69	Low	60.3	Low	37 Å²	37	62.1 Å²	62.1	26%	0.259	35%	0.351	S	S	.	.			trans	-65.5	152.8	170.8	72.7	0	0	0	0	110.3	R388 Q389 Q390	S386-R388 PolarHBondContact O-N 3.35Å; S386-R388 VanDerWaalsContact O-N 3.1Å; S386-Q389 WeakPolarHBondContact O-CA 3.46Å; S386-Q389 WeakPolarHBondContact O-CB 3.44Å; S386-Q389 PolarHBondContact O-N 2.79Å; S386-Q389 PolarHBondContact OG-N 2.63Å; S386-Q390 PolarHBondContact O-N 3.3Å
387	K	65.2	Low	62.4	Low	157 Å²	157	61.3 Å²	61.3	68%	0.683	34%	0.341	S	S	*	.	H	α-helix	trans	-52.3	-35.3	175.5	-69.6	-179.6	179.8	174.9	0	111.6	Q390 V391	K387-Q390 WeakPolarHBondContact O-CB 3.24Å; K387-Q390 PolarHBondContact O-N 3.18Å; K387-V391 VanDerWaalsContact O-CG2 3.3Å; K387-V391 WeakPolarHBondContact O-CG2 3.5Å; K387-V391 PolarHBondContact O-N 3.3Å
388	R	66.1	Low	64.8	Low	33 Å²	33	60.6 Å²	60.6	13%	0.125	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-45.5	175.5	-166.3	-169.3	-160.7	168.8	6	112.2	S386 Q390 V391 A392 W462 E464 I467 D555 D558	S386-R388 PolarHBondContact O-N 3.35Å; S386-R388 VanDerWaalsContact O-N 3.1Å; R388-Q390 VanDerWaalsContact C-N 3.28Å; R388-Q390 PolarHBondContact O-N 3.38Å; R388-V391 PolarHBondContact O-N 3.14Å; R388-A392 PolarHBondContact O-N 3.17Å; R388-W462 HydrophobicContact CB-CZ2 4.33Å; R388-W462 HydrophobicContact CG-CH2 4.14Å; R388-W462 HydrophobicContact CG-CZ2 4.23Å; R388-E464 PolarHBondContact NH1-O 2.84Å; R388-I467 VanDerWaalsContact CD-CD1 3.46Å; R388-I467 HydrophobicContact CG-CD1 4.18Å; R388-I467 VanDerWaalsContact CZ-CG2 3.45Å; R388-I467 VanDerWaalsContact NE-CD1 3.33Å; R388-I467 VanDerWaalsContact NH2-CG2 3.25Å; R388-D555 WeakPolarHBondContact CD-OD2 3.48Å; R388-D555 IonicContact CZ-OD1 3.72Å; R388-D555 IonicContact CZ-OD2 3.53Å; R388-D555 VanDerWaalsContact CZ-OD2 3.28Å; R388-D555 IonicContact NE-OD1 2.63Å; R388-D555 PolarHBondContact NE-OD1 3.12Å; R388-D555 IonicContact NE-OD2 2.81Å; R388-D555 PolarHBondContact NE-OD2 3.06Å; R388-D555 IonicContact NH1-OD1 2.79Å; R388-D555 PolarHBondContact NH1-OD1 3.31Å; R388-D555 IonicContact NH1-OD2 2.82Å; R388-D555 PolarHBondContact NH1-OD2 2.95Å; R388-D555 IonicContact NH2-OD1 3.64Å; R388-D555 PolarHBondContact NH2-OD1 2.84Å; R388-D558 IonicContact NH2-OD2 2.77Å
389	Q	69.6	Low	67.2	Low	40 Å²	40	58 Å²	58	19%	0.187	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-37.8	175.5	-167.1	176.5	11.8	0	0	111.1	M385 S386 V391 A392 V393 W462	M385-Q389 HydrophobicContact CB-CB 4.16Å; M385-Q389 HydrophobicContact CB-CG 4.26Å; M385-Q389 HydrophobicContact CG-CG 4.27Å; M385-Q389 HydrophobicContact SD-CG 4.2Å; S386-Q389 WeakPolarHBondContact O-CA 3.46Å; S386-Q389 WeakPolarHBondContact O-CB 3.44Å; S386-Q389 PolarHBondContact O-N 2.79Å; S386-Q389 PolarHBondContact OG-N 2.63Å; Q389-V391 PolarHBondContact O-N 2.71Å; Q389-A392 PolarHBondContact O-N 3.25Å; Q389-V393 HydrophobicContact CG-CG2 4.25Å; Q389-V393 WeakPolarHBondContact O-CB 3.39Å; Q389-V393 WeakPolarHBondContact O-CG2 3.45Å; Q389-V393 PolarHBondContact O-N 3.09Å; Q389-W462 HydrophobicContact CB-CH2 3.97Å; Q389-W462 HydrophobicContact CB-CZ2 3.48Å; Q389-W462 VanDerWaalsContact CB-CZ2 3.48Å; Q389-W462 HydrophobicContact CG-CD2 4.11Å; Q389-W462 HydrophobicContact CG-CE3 4.49Å; Q389-W462 HydrophobicContact CG-CH2 4.32Å; Q389-W462 HydrophobicContact CG-CZ2 3.96Å
390	Q	71	Confident	69.5	Low	62 Å²	62	55.4 Å²	55.4	29%	0.29	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-38.6	174.3	-167.3	177.8	10.3	0	0	112.9	S386 K387 R388 E394 K544	S386-Q390 PolarHBondContact O-N 3.3Å; K387-Q390 WeakPolarHBondContact O-CB 3.24Å; K387-Q390 PolarHBondContact O-N 3.18Å; R388-Q390 VanDerWaalsContact C-N 3.28Å; R388-Q390 PolarHBondContact O-N 3.38Å; Q390-E394 WeakPolarHBondContact O-CB 3.23Å; Q390-E394 PolarHBondContact O-N 3.03Å; Q390-E394 VanDerWaalsContact O-N 3.13Å; Q390-K544 PolarHBondContact O-NZ 3.45Å
391	V	73.5	Confident	71.8	Confident	19 Å²	19	56.5 Å²	56.5	12%	0.115	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-52.9	173.6	-180	0	0	0	0	111	K387 R388 Q389 V393 E394 L395 L541 K544	K387-V391 VanDerWaalsContact O-CG2 3.3Å; K387-V391 WeakPolarHBondContact O-CG2 3.5Å; K387-V391 PolarHBondContact O-N 3.3Å; R388-V391 PolarHBondContact O-N 3.14Å; Q389-V391 PolarHBondContact O-N 2.71Å; V391-V393 PolarHBondContact O-N 3.18Å; V391-E394 PolarHBondContact O-N 3.01Å; V391-L395 PolarHBondContact O-N 3.3Å; V391-L541 HydrophobicContact CG1-CD2 4.27Å; V391-K544 HydrophobicContact CB-CD 3.99Å; V391-K544 HydrophobicContact CG1-CD 4.1Å; V391-K544 HydrophobicContact CG2-CB 3.82Å; V391-K544 HydrophobicContact CG2-CD 3.37Å; V391-K544 HydrophobicContact CG2-CG 4.23Å
392	A	77	Confident	74.5	Confident	4 Å²	4	52 Å²	52	3%	0.033	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-43.3	-176	0	0	0	0	0	111.9	R388 Q389 L395 M396 I459 W462	R388-A392 PolarHBondContact O-N 3.17Å; Q389-A392 PolarHBondContact O-N 3.25Å; A392-L395 PolarHBondContact O-N 3.27Å; A392-M396 PolarHBondContact O-N 3.43Å; A392-I459 HydrophobicContact CB-CG1 4.5Å; A392-W462 HydrophobicContact CB-CH2 3.74Å; A392-W462 HydrophobicContact CB-CZ3 3.47Å; A392-W462 VanDerWaalsContact CB-CZ3 3.47Å
393	V	78.6	Confident	76.5	Confident	10 Å²	10	50.2 Å²	50.2	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-37.8	178.9	-175	0	0	0	0	111.5	Q389 V391 M396 Q397 I459	Q389-V393 HydrophobicContact CG-CG2 4.25Å; Q389-V393 WeakPolarHBondContact O-CB 3.39Å; Q389-V393 WeakPolarHBondContact O-CG2 3.45Å; Q389-V393 PolarHBondContact O-N 3.09Å; V391-V393 PolarHBondContact O-N 3.18Å; V393-M396 HydrophobicContact CG1-CE 4.17Å; V393-M396 PolarHBondContact O-N 3.35Å; V393-Q397 HydrophobicContact CG1-CG 4.27Å; V393-Q397 WeakPolarHBondContact O-CB 3.46Å; V393-Q397 VanDerWaalsContact O-CG 3.23Å; V393-Q397 WeakPolarHBondContact O-CG 3.25Å; V393-Q397 PolarHBondContact O-N 3.29Å; V393-I459 HydrophobicContact CB-CD1 4.38Å; V393-I459 HydrophobicContact CG2-CD1 4.02Å; V393-I459 HydrophobicContact CG2-CG1 4.21Å; V393-I459 HydrophobicContact CG2-CG2 4.13Å
394	E	80.1	Confident	78.8	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-66.1	-41.2	174.4	-169.4	170.2	133.5	0	0	111.9	Q390 V391 M396 Q397 T398 L540 K544	Q390-E394 WeakPolarHBondContact O-CB 3.23Å; Q390-E394 PolarHBondContact O-N 3.03Å; Q390-E394 VanDerWaalsContact O-N 3.13Å; V391-E394 PolarHBondContact O-N 3.01Å; E394-M396 PolarHBondContact O-N 3.19Å; E394-Q397 PolarHBondContact O-N 2.88Å; E394-T398 HydrophobicContact CG-CG2 4.41Å; E394-T398 WeakPolarHBondContact O-CG2 3.34Å; E394-T398 PolarHBondContact O-N 3.46Å; E394-T398 PolarHBondContact O-OG1 3.15Å; E394-L540 HydrophobicContact CG-CD1 3.96Å; E394-L540 WeakPolarHBondContact OE1-CD1 3.42Å; E394-K544 VanDerWaalsContact CB-NZ 3.27Å; E394-K544 IonicContact OE1-NZ 2.93Å; E394-K544 WeakPolarHBondContact OE2-CE 3.16Å; E394-K544 IonicContact OE2-NZ 3.49Å; E394-K544 PolarHBondContact OE2-NZ 3.46Å
395	L	84.6	Confident	80.5	Confident	5 Å²	5	41.1 Å²	41.1	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-48.9	174	-177.2	63.5	0	0	0	110.6	V391 A392 Q397 T398 E399 L455 L472 V537 L540	V391-L395 PolarHBondContact O-N 3.3Å; A392-L395 PolarHBondContact O-N 3.27Å; L395-Q397 PolarHBondContact O-N 2.99Å; L395-T398 PolarHBondContact O-N 3.21Å; L395-T398 PolarHBondContact O-OG1 3.32Å; L395-E399 WeakPolarHBondContact O-CB 3.36Å; L395-E399 PolarHBondContact O-N 2.85Å; L395-L455 HydrophobicContact CD2-CD1 4.19Å; L395-L455 HydrophobicContact CD2-CD2 3.97Å; L395-L455 HydrophobicContact CG-CD1 3.99Å; L395-L472 HydrophobicContact CD2-CD2 3.98Å; L395-V537 HydrophobicContact CD1-CG1 3.97Å; L395-L540 HydrophobicContact CB-CD2 4.32Å; L395-L540 HydrophobicContact CD1-CD2 3.94Å
396	M	86.5	Confident	81.9	Confident	35 Å²	35	37.2 Å²	37.2	17%	0.172	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-41.9	176.1	-177	-156.9	66.8	0	0	112.6	A392 V393 E394 E399 C400 Y452 L455 A456 I459	A392-M396 PolarHBondContact O-N 3.43Å; V393-M396 HydrophobicContact CG1-CE 4.17Å; V393-M396 PolarHBondContact O-N 3.35Å; E394-M396 PolarHBondContact O-N 3.19Å; M396-E399 PolarHBondContact O-N 2.95Å; M396-C400 WeakPolarHBondContact O-CB 3.49Å; M396-C400 PolarHBondContact O-N 3.4Å; M396-Y452 HydrophobicContact CG-CD2 4.22Å; M396-Y452 HydrophobicContact CG-CE2 3.99Å; M396-L455 HydrophobicContact CB-CB 4.18Å; M396-L455 HydrophobicContact CG-CB 4.25Å; M396-A456 HydrophobicContact SD-CB 4.1Å; M396-I459 HydrophobicContact CB-CD1 3.34Å; M396-I459 HydrophobicContact CE-CD1 4.01Å; M396-I459 HydrophobicContact CG-CD1 3.77Å; M396-I459 HydrophobicContact SD-CB 4.33Å; M396-I459 HydrophobicContact SD-CD1 3.32Å; M396-I459 WeakPolarHBondContact SD-CD1 3.34Å; M396-I459 HydrophobicContact SD-CG1 4.41Å; M396-I459 HydrophobicContact SD-CG2 4.5Å
397	Q	84.5	Confident	83.1	Confident	79 Å²	79	38.9 Å²	38.9	37%	0.369	19%	0.188	S	C	.	.	H	α-helix	trans	-65.6	-46.5	179.4	-77.3	173.5	-31.1	0	0	112	R382 V393 E394 L395 E399 C400 K401	R382-Q397 VanDerWaalsContact NH2-NE2 3.19Å; V393-Q397 HydrophobicContact CG1-CG 4.27Å; V393-Q397 WeakPolarHBondContact O-CB 3.46Å; V393-Q397 VanDerWaalsContact O-CG 3.23Å; V393-Q397 WeakPolarHBondContact O-CG 3.25Å; V393-Q397 PolarHBondContact O-N 3.29Å; E394-Q397 PolarHBondContact O-N 2.88Å; L395-Q397 PolarHBondContact O-N 2.99Å; Q397-E399 VanDerWaalsContact C-N 3.25Å; Q397-E399 PolarHBondContact O-N 3.37Å; Q397-C400 WeakPolarHBondContact O-CB 3.47Å; Q397-C400 PolarHBondContact O-N 2.64Å; Q397-K401 PolarHBondContact O-N 3.31Å; Q397-K401 VanDerWaalsContact O-N 3.11Å
398	T	89.1	Confident	84.2	Confident	16 Å²	16	32.6 Å²	32.6	10%	0.098	16%	0.163	C	C	.	.	H	α-helix	trans	-66.3	-32	176.4	65.4	0	0	0	0	111.7	F369 E394 L395 Y402 R533 L540	F369-T398 HydrophobicContact CE1-CG2 4.38Å; F369-T398 HydrophobicContact CZ-CG2 4.05Å; E394-T398 HydrophobicContact CG-CG2 4.41Å; E394-T398 WeakPolarHBondContact O-CG2 3.34Å; E394-T398 PolarHBondContact O-N 3.46Å; E394-T398 PolarHBondContact O-OG1 3.15Å; L395-T398 PolarHBondContact O-N 3.21Å; L395-T398 PolarHBondContact O-OG1 3.32Å; T398-Y402 WeakPolarHBondContact O-CB 3.2Å; T398-Y402 PolarHBondContact O-N 2.86Å; T398-R533 PolarHBondContact OG1-NH2 3.4Å; T398-R533 VanDerWaalsContact OG1-NH2 3.14Å; T398-L540 HydrophobicContact CG2-CD2 4.49Å
399	E	89.3	Confident	85.5	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-68.4	-43	175.1	-166.7	66.9	-168	0	0	111.6	L395 M396 Q397 K401 Y402 V403 H448 L455 R533	L395-E399 WeakPolarHBondContact O-CB 3.36Å; L395-E399 PolarHBondContact O-N 2.85Å; M396-E399 PolarHBondContact O-N 2.95Å; Q397-E399 VanDerWaalsContact C-N 3.25Å; Q397-E399 PolarHBondContact O-N 3.37Å; E399-K401 PolarHBondContact O-N 3.33Å; E399-Y402 PolarHBondContact O-N 2.88Å; E399-V403 WeakPolarHBondContact O-CG2 3.41Å; E399-V403 PolarHBondContact O-N 2.98Å; E399-H448 WeakPolarHBondContact OE1-CB 3.26Å; E399-H448 IonicContact OE1-CE1 3.87Å; E399-H448 IonicContact OE1-CG 3.67Å; E399-H448 IonicContact OE1-ND1 3.28Å; E399-H448 PolarHBondContact OE1-ND1 2.8Å; E399-H448 IonicContact OE2-ND1 3.27Å; E399-L455 HydrophobicContact CB-CD1 4.19Å; E399-L455 HydrophobicContact CG-CD1 4.12Å; E399-R533 IonicContact OE2-CZ 3.14Å; E399-R533 IonicContact OE2-NE 3.33Å; E399-R533 PolarHBondContact OE2-NE 3.33Å; E399-R533 IonicContact OE2-NH2 3.43Å; E399-R533 PolarHBondContact OE2-NH2 3.43Å
400	C	89.7	Confident	86.5	Confident	30 Å²	30	30 Å²	30	20%	0.203	15%	0.153	C	C	.	.	H	α-helix	trans	-55.7	-52.4	173.6	-166.1	0	0	0	0	111.1	M396 Q397 Y402 V403 E404 Y452	M396-C400 WeakPolarHBondContact O-CB 3.49Å; M396-C400 PolarHBondContact O-N 3.4Å; Q397-C400 WeakPolarHBondContact O-CB 3.47Å; Q397-C400 PolarHBondContact O-N 2.64Å; C400-Y402 VanDerWaalsContact C-N 3.26Å; C400-Y402 PolarHBondContact O-N 3.43Å; C400-V403 PolarHBondContact O-N 2.98Å; C400-E404 WeakPolarHBondContact O-CB 3.34Å; C400-E404 WeakPolarHBondContact O-CG 3.4Å; C400-E404 PolarHBondContact O-N 2.92Å; C400-E404 PolarHBondContact SG-OE1 2.88Å; C400-E404 VanDerWaalsContact SG-OE1 3.35Å; C400-Y452 HydrophobicContact CB-CD2 3.98Å; C400-Y452 HydrophobicContact CB-CE2 3.54Å
401	K	88.7	Confident	87.5	Confident	82 Å²	82	29.4 Å²	29.4	36%	0.357	15%	0.153	S	C	.	.	H	α-helix	trans	-59.5	-38.7	177.9	-168.7	-179.1	-175.2	179.3	0	111.4	F369 D373 Q397 E399 V405	F369-K401 HydrophobicContact CE1-CD 3.81Å; F369-K401 HydrophobicContact CZ-CD 4.47Å; D373-K401 IonicContact OD2-NZ 3.71Å; D373-K401 PolarHBondContact OD2-NZ 2.89Å; Q397-K401 PolarHBondContact O-N 3.31Å; Q397-K401 VanDerWaalsContact O-N 3.11Å; E399-K401 PolarHBondContact O-N 3.33Å; K401-V405 VanDerWaalsContact O-CG2 3.32Å; K401-V405 WeakPolarHBondContact O-CG2 3.33Å; K401-V405 PolarHBondContact O-N 3.3Å
402	Y	92.3	Very high	88.2	Confident	12 Å²	12	29.5 Å²	29.5	5%	0.047	15%	0.153	C	C	.	.	H	α-helix	trans	-68.2	-44.4	177.9	-179	-120.6	0	0	0	112.5	T398 E399 C400 E404 V405 L406 H448 R529 P530 R533	T398-Y402 WeakPolarHBondContact O-CB 3.2Å; T398-Y402 PolarHBondContact O-N 2.86Å; E399-Y402 PolarHBondContact O-N 2.88Å; C400-Y402 VanDerWaalsContact C-N 3.26Å; C400-Y402 PolarHBondContact O-N 3.43Å; Y402-E404 VanDerWaalsContact C-N 3.33Å; Y402-E404 PolarHBondContact O-N 3.34Å; Y402-V405 PolarHBondContact O-N 2.61Å; Y402-L406 HydrophobicContact CD1-CD1 4.13Å; Y402-L406 HydrophobicContact CE1-CD1 3.6Å; Y402-L406 HydrophobicContact CE1-CG 4.26Å; Y402-L406 HydrophobicContact CE2-CD1 4.32Å; Y402-L406 HydrophobicContact CE2-CD2 4.17Å; Y402-L406 HydrophobicContact CE2-CG 4.1Å; Y402-L406 WeakPolarHBondContact O-CG 3.3Å; Y402-L406 PolarHBondContact O-N 3.22Å; Y402-H448 HydrophobicContact CD1-CB 4.23Å; Y402-H448 AromaticContact CD1-CG 3.86Å; Y402-H448 AromaticContact CD1-ND1 3.61Å; Y402-H448 HydrophobicContact CE1-CB 4.17Å; Y402-H448 AromaticContact CE1-CD2 3.79Å; Y402-H448 AromaticContact CE1-CE1 3.77Å; Y402-H448 AromaticContact CE1-CG 3.52Å; Y402-H448 AromaticContact CE1-ND1 3.51Å; Y402-H448 AromaticContact CE1-NE2 3.95Å; Y402-R529 HydrophobicContact CE2-CB 4Å; Y402-P530 WeakPolarHBondContact OH-CA 3.46Å; Y402-P530 VanDerWaalsContact OH-CB 3.28Å; Y402-P530 WeakPolarHBondContact OH-CB 3.26Å; Y402-P530 WeakPolarHBondContact OH-CG 3.34Å; Y402-R533 HydrophobicContact CD1-CG 3.88Å; Y402-R533 HydrophobicContact CD2-CG 4.4Å; Y402-R533 HydrophobicContact CE1-CB 4.22Å; Y402-R533 HydrophobicContact CE1-CG 3.67Å; Y402-R533 HydrophobicContact CE2-CB 4.12Å; Y402-R533 HydrophobicContact CE2-CG 4.24Å; Y402-R533 HydrophobicContact CG-CG 4.25Å
403	V	92.9	Very high	88.8	Confident	19 Å²	19	29.4 Å²	29.4	12%	0.115	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-41.1	174.8	171.6	0	0	0	0	111	E399 C400 V405 L406 N407 H448	E399-V403 WeakPolarHBondContact O-CG2 3.41Å; E399-V403 PolarHBondContact O-N 2.98Å; C400-V403 PolarHBondContact O-N 2.98Å; V403-V405 VanDerWaalsContact C-N 3.35Å; V403-V405 PolarHBondContact O-N 3.28Å; V403-L406 PolarHBondContact O-N 2.79Å; V403-N407 VanDerWaalsContact O-CB 3.31Å; V403-N407 WeakPolarHBondContact O-CB 3.27Å; V403-N407 PolarHBondContact O-N 3.41Å; V403-H448 HydrophobicContact CG2-CB 3.91Å; V403-H448 WeakPolarHBondContact CG2-O 3.3Å
404	E	89.9	Confident	89.4	Confident	111 Å²	111	30.7 Å²	30.7	52%	0.519	16%	0.157	S	C	.	.	H	α-helix	trans	-57.4	-47.1	173	-75.4	167.7	-166.3	0	0	111.4	C400 Y402 L406 N407 T408	C400-E404 WeakPolarHBondContact O-CB 3.34Å; C400-E404 WeakPolarHBondContact O-CG 3.4Å; C400-E404 PolarHBondContact O-N 2.92Å; C400-E404 PolarHBondContact SG-OE1 2.88Å; C400-E404 VanDerWaalsContact SG-OE1 3.35Å; Y402-E404 VanDerWaalsContact C-N 3.33Å; Y402-E404 PolarHBondContact O-N 3.34Å; E404-L406 PolarHBondContact O-N 3.09Å; E404-N407 PolarHBondContact O-N 2.75Å; E404-T408 WeakPolarHBondContact O-CB 3.37Å; E404-T408 PolarHBondContact O-N 3.38Å; E404-T408 PolarHBondContact O-OG1 3.07Å
405	V	89.9	Confident	89.9	Confident	20 Å²	20	34.4 Å²	34.4	12%	0.121	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-45.8	176.1	167.1	0	0	0	0	111.7	K401 Y402 V403 N407 T408 I409 L526 R529	K401-V405 VanDerWaalsContact O-CG2 3.32Å; K401-V405 WeakPolarHBondContact O-CG2 3.33Å; K401-V405 PolarHBondContact O-N 3.3Å; Y402-V405 PolarHBondContact O-N 2.61Å; V403-V405 VanDerWaalsContact C-N 3.35Å; V403-V405 PolarHBondContact O-N 3.28Å; V405-N407 PolarHBondContact O-N 2.99Å; V405-T408 WeakPolarHBondContact O-CB 3.47Å; V405-T408 PolarHBondContact O-N 3.24Å; V405-I409 HydrophobicContact CG1-CD1 4.31Å; V405-I409 WeakPolarHBondContact O-CG1 3.37Å; V405-I409 PolarHBondContact O-N 3.15Å; V405-L526 HydrophobicContact CG1-CD2 4.01Å; V405-R529 HydrophobicContact CG1-CG 4.09Å
406	L	92.9	Very high	90.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-43.7	177	-69.3	179.7	0	0	0	111.9	Y402 V403 E404 T408 I409 I410 L441 I444 H445 H448 P530	Y402-L406 HydrophobicContact CD1-CD1 4.13Å; Y402-L406 HydrophobicContact CE1-CD1 3.6Å; Y402-L406 HydrophobicContact CE1-CG 4.26Å; Y402-L406 HydrophobicContact CE2-CD1 4.32Å; Y402-L406 HydrophobicContact CE2-CD2 4.17Å; Y402-L406 HydrophobicContact CE2-CG 4.1Å; Y402-L406 WeakPolarHBondContact O-CG 3.3Å; Y402-L406 PolarHBondContact O-N 3.22Å; V403-L406 PolarHBondContact O-N 2.79Å; E404-L406 PolarHBondContact O-N 3.09Å; L406-T408 VanDerWaalsContact C-N 3.32Å; L406-T408 PolarHBondContact O-N 3.36Å; L406-I409 HydrophobicContact CD2-CD1 4.45Å; L406-I409 PolarHBondContact O-N 3.05Å; L406-I410 WeakPolarHBondContact O-CG1 3.34Å; L406-I410 PolarHBondContact O-N 3.47Å; L406-L441 HydrophobicContact CD2-CD1 3.69Å; L406-L441 HydrophobicContact CD2-CG 4.25Å; L406-I444 HydrophobicContact CD1-CG2 4.04Å; L406-H445 HydrophobicContact CB-CB 4.15Å; L406-H445 HydrophobicContact CD1-CB 4.25Å; L406-H448 HydrophobicContact CD1-CB 4.29Å; L406-P530 HydrophobicContact CD2-CG 4.12Å
407	N	92.9	Very high	90.3	Very high	71 Å²	71	33.1 Å²	33.1	38%	0.38	17%	0.169	S	C	.	.	H	α-helix	trans	-63.3	-39.1	176.4	-178.1	71	0	0	0	111.4	V403 E404 V405 I410 T411	V403-N407 VanDerWaalsContact O-CB 3.31Å; V403-N407 WeakPolarHBondContact O-CB 3.27Å; V403-N407 PolarHBondContact O-N 3.41Å; E404-N407 PolarHBondContact O-N 2.75Å; V405-N407 PolarHBondContact O-N 2.99Å; N407-I410 PolarHBondContact O-N 3.37Å; N407-T411 WeakPolarHBondContact O-CB 3.17Å; N407-T411 WeakPolarHBondContact O-CG2 3.48Å; N407-T411 PolarHBondContact O-N 3.19Å; N407-T411 PolarHBondContact O-OG1 2.89Å
408	T	89.7	Confident	90.4	Very high	25 Å²	25	32.3 Å²	32.3	15%	0.153	17%	0.165	C	C	.	.	H	α-helix	trans	-59.4	-44.4	172.6	-66.3	0	0	0	0	111.1	E404 V405 L406 I410 L412	E404-T408 WeakPolarHBondContact O-CB 3.37Å; E404-T408 PolarHBondContact O-N 3.38Å; E404-T408 PolarHBondContact O-OG1 3.07Å; V405-T408 WeakPolarHBondContact O-CB 3.47Å; V405-T408 PolarHBondContact O-N 3.24Å; L406-T408 VanDerWaalsContact C-N 3.32Å; L406-T408 PolarHBondContact O-N 3.36Å; T408-I410 PolarHBondContact O-N 3.12Å; T408-L412 HydrophobicContact CG2-CD1 3.5Å; T408-L412 HydrophobicContact CG2-CG 4.17Å; T408-L412 WeakPolarHBondContact O-CB 3.41Å; T408-L412 WeakPolarHBondContact O-CG 3.33Å; T408-L412 PolarHBondContact O-N 3.25Å
409	I	91.9	Very high	90.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-45.2	176.6	-60.5	163.1	0	0	0	110.9	V405 L406 Y413 K414 F438 L441 L523 L526	V405-I409 HydrophobicContact CG1-CD1 4.31Å; V405-I409 WeakPolarHBondContact O-CG1 3.37Å; V405-I409 PolarHBondContact O-N 3.15Å; L406-I409 HydrophobicContact CD2-CD1 4.45Å; L406-I409 PolarHBondContact O-N 3.05Å; I409-Y413 VanDerWaalsContact O-CB 3.31Å; I409-Y413 WeakPolarHBondContact O-CB 3.44Å; I409-Y413 PolarHBondContact O-N 3.21Å; I409-Y413 VanDerWaalsContact O-N 3.15Å; I409-K414 PolarHBondContact O-N 3.05Å; I409-K414 VanDerWaalsContact O-N 3.13Å; I409-F438 HydrophobicContact CG2-CD1 4.03Å; I409-F438 HydrophobicContact CG2-CE1 3.83Å; I409-L441 HydrophobicContact CB-CD2 3.89Å; I409-L441 HydrophobicContact CD1-CD2 4.12Å; I409-L441 HydrophobicContact CG2-CD2 3.35Å; I409-L523 HydrophobicContact CG2-CD1 4Å; I409-L526 HydrophobicContact CD1-CB 3.77Å; I409-L526 HydrophobicContact CG1-CB 3.74Å; I409-L526 HydrophobicContact CG1-CD1 4.18Å
410	I	92.5	Very high	89.5	Confident	18 Å²	18	37.7 Å²	37.7	9%	0.092	20%	0.196	C	C	.	.	I	π-helix	trans	-66.9	-52.9	-177.6	-67.4	168.7	0	0	0	111.1	L406 N407 T408 K414 E415 H445	L406-I410 WeakPolarHBondContact O-CG1 3.34Å; L406-I410 PolarHBondContact O-N 3.47Å; N407-I410 PolarHBondContact O-N 3.37Å; T408-I410 PolarHBondContact O-N 3.12Å; I410-K414 WeakPolarHBondContact O-CB 3.39Å; I410-K414 PolarHBondContact O-N 2.91Å; I410-E415 HydrophobicContact CG2-CG 4.11Å; I410-E415 PolarHBondContact O-N 3.34Å; I410-H445 HydrophobicContact CD1-CB 3.52Å
411	T	90.5	Very high	88.6	Confident	50 Å²	50	41.1 Å²	41.1	31%	0.307	22%	0.221	S	C	.	.	I	π-helix	trans	-78.8	-32.7	-171.4	58.7	0	0	0	0	113.6	N407 P416	N407-T411 WeakPolarHBondContact O-CB 3.17Å; N407-T411 WeakPolarHBondContact O-CG2 3.48Å; N407-T411 PolarHBondContact O-N 3.19Å; N407-T411 PolarHBondContact O-OG1 2.89Å; T411-P416 VanDerWaalsContact O-CD 3.27Å; T411-P416 WeakPolarHBondContact O-CD 3.48Å; T411-P416 WeakPolarHBondContact O-CG 3.22Å
412	L	87.8	Confident	87.8	Confident	22 Å²	22	40 Å²	40	12%	0.115	22%	0.22	C	C	.	.	I	π-helix	trans	-90	-28.3	179.8	-61	-175.3	0	0	0	113.8	T408 P416 R512 E517	T408-L412 HydrophobicContact CG2-CD1 3.5Å; T408-L412 HydrophobicContact CG2-CG 4.17Å; T408-L412 WeakPolarHBondContact O-CB 3.41Å; T408-L412 WeakPolarHBondContact O-CG 3.33Å; T408-L412 PolarHBondContact O-N 3.25Å; L412-P416 WeakPolarHBondContact O-CG 3.46Å; L412-R512 PolarHBondContact O-NE 2.88Å; L412-E517 HydrophobicContact CD1-CB 3.85Å
413	Y	91.1	Very high	86.5	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	22%	0.218	C	C	.	.	I	π-helix	trans	-114.1	-60.6	-175.8	-59.4	-94.2	0	0	0	112.8	I409 P416 L417 F508 L509 R512 L523 L526	I409-Y413 VanDerWaalsContact O-CB 3.31Å; I409-Y413 WeakPolarHBondContact O-CB 3.44Å; I409-Y413 PolarHBondContact O-N 3.21Å; I409-Y413 VanDerWaalsContact O-N 3.15Å; Y413-P416 WeakPolarHBondContact O-CD 3.33Å; Y413-L417 WeakPolarHBondContact O-CB 3.42Å; Y413-L417 VanDerWaalsContact O-CD1 3.3Å; Y413-L417 WeakPolarHBondContact O-CD1 3.4Å; Y413-L417 WeakPolarHBondContact O-CG 3.43Å; Y413-L417 PolarHBondContact O-N 3.16Å; Y413-F508 AromaticContact CD1-CE1 3.95Å; Y413-F508 HydrophobicContact CD1-CE1 3.95Å; Y413-L509 HydrophobicContact CD1-CD2 3.92Å; Y413-L509 HydrophobicContact CE1-CD2 3.95Å; Y413-R512 HydrophobicContact CD1-CB 4.38Å; Y413-R512 HydrophobicContact CE1-CB 3.71Å; Y413-R512 HydrophobicContact CE1-CG 4.38Å; Y413-L523 HydrophobicContact CD1-CB 4.29Å; Y413-L523 HydrophobicContact CD1-CD1 4.05Å; Y413-L523 HydrophobicContact CD1-CD2 3.97Å; Y413-L523 HydrophobicContact CD1-CG 4.33Å; Y413-L523 HydrophobicContact CD2-CD1 4.03Å; Y413-L523 HydrophobicContact CE1-CB 4.03Å; Y413-L523 HydrophobicContact CE1-CD1 4.39Å; Y413-L523 HydrophobicContact CE2-CD1 4.36Å; Y413-L523 HydrophobicContact CG-CD1 3.85Å; Y413-L523 HydrophobicContact CG-CD2 4.36Å; Y413-L526 HydrophobicContact CE2-CD1 3.98Å
414	K	91.1	Very high	85.1	Confident	37 Å²	37	40.3 Å²	40.3	16%	0.161	23%	0.231	C	C	.	.	I	π-helix	trans	-63.3	-58.5	-172.4	-175.7	-173.2	173.6	-64.6	0	112.9	I409 I410 L417 E418 F438 P442	I409-K414 PolarHBondContact O-N 3.05Å; I409-K414 VanDerWaalsContact O-N 3.13Å; I410-K414 WeakPolarHBondContact O-CB 3.39Å; I410-K414 PolarHBondContact O-N 2.91Å; K414-L417 PolarHBondContact O-N 3.41Å; K414-L417 VanDerWaalsContact O-N 3.12Å; K414-E418 WeakPolarHBondContact CE-OE1 3.27Å; K414-E418 IonicContact NZ-OE1 2.87Å; K414-E418 PolarHBondContact NZ-OE1 2.91Å; K414-E418 IonicContact NZ-OE2 3.92Å; K414-E418 PolarHBondContact NZ-OE2 3.14Å; K414-E418 PolarHBondContact O-N 3.24Å; K414-E418 VanDerWaalsContact O-N 3.16Å; K414-F438 HydrophobicContact CB-CD1 3.86Å; K414-F438 HydrophobicContact CB-CD2 4.06Å; K414-F438 HydrophobicContact CB-CE1 3.94Å; K414-F438 HydrophobicContact CB-CE2 4.15Å; K414-F438 HydrophobicContact CB-CG 3.92Å; K414-F438 HydrophobicContact CB-CZ 4.09Å; K414-F438 HydrophobicContact CD-CB 4.08Å; K414-F438 HydrophobicContact CD-CG 4.22Å; K414-F438 HydrophobicContact CG-CB 4.23Å; K414-F438 HydrophobicContact CG-CD1 4.32Å; K414-F438 HydrophobicContact CG-CD2 3.92Å; K414-F438 HydrophobicContact CG-CE2 4.39Å; K414-F438 HydrophobicContact CG-CG 3.88Å; K414-P442 HydrophobicContact CD-CG 4.11Å
415	E	90.9	Very high	83.9	Confident	89 Å²	89	37.5 Å²	37.5	42%	0.416	23%	0.232	S	C	.	.	H	α-helix	trans	-61.1	-41	-176.1	-64.2	177	159.7	0	0	112.3	I410 L417 E418 N419	I410-E415 HydrophobicContact CG2-CG 4.11Å; I410-E415 PolarHBondContact O-N 3.34Å; E415-L417 VanDerWaalsContact C-N 3.33Å; E415-L417 PolarHBondContact O-N 3.41Å; E415-E418 PolarHBondContact O-N 3.01Å; E415-N419 WeakPolarHBondContact O-CB 3.39Å; E415-N419 PolarHBondContact O-N 2.72Å; E415-N419 PolarHBondContact O-ND2 2.91Å
416	P	88.4	Confident	83.1	Confident	13 Å²	13	41.3 Å²	41.3	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-31.3	174.6	-28.3	39.9	0	0	0	114.3	T411 L412 Y413 E418 N419 V422 T423 F508	T411-P416 VanDerWaalsContact O-CD 3.27Å; T411-P416 WeakPolarHBondContact O-CD 3.48Å; T411-P416 WeakPolarHBondContact O-CG 3.22Å; L412-P416 WeakPolarHBondContact O-CG 3.46Å; Y413-P416 WeakPolarHBondContact O-CD 3.33Å; P416-E418 VanDerWaalsContact C-N 3.34Å; P416-N419 PolarHBondContact O-N 3.39Å; P416-V422 HydrophobicContact CB-CG1 4.06Å; P416-T423 WeakPolarHBondContact O-CG2 3.39Å; P416-F508 HydrophobicContact CB-CE2 3.84Å; P416-F508 HydrophobicContact CB-CZ 3.96Å
417	L	89.9	Confident	82.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-73.2	-27.3	177.5	-73.1	166.7	0	0	0	112.7	Y413 K414 E415 L428 L429 I434 F438 F505 F508	Y413-L417 WeakPolarHBondContact O-CB 3.42Å; Y413-L417 VanDerWaalsContact O-CD1 3.3Å; Y413-L417 WeakPolarHBondContact O-CD1 3.4Å; Y413-L417 WeakPolarHBondContact O-CG 3.43Å; Y413-L417 PolarHBondContact O-N 3.16Å; K414-L417 PolarHBondContact O-N 3.41Å; K414-L417 VanDerWaalsContact O-N 3.12Å; E415-L417 VanDerWaalsContact C-N 3.33Å; E415-L417 PolarHBondContact O-N 3.41Å; L417-L428 HydrophobicContact CD2-CB 4.02Å; L417-L428 HydrophobicContact CD2-CD1 4.06Å; L417-L429 HydrophobicContact CD1-CD1 4.28Å; L417-L429 HydrophobicContact CD2-CD1 4.45Å; L417-L429 HydrophobicContact CD2-CG 4.47Å; L417-I434 HydrophobicContact CB-CD1 4.15Å; L417-I434 HydrophobicContact CB-CG1 4.42Å; L417-I434 WeakPolarHBondContact O-CD1 3.38Å; L417-F438 HydrophobicContact CD1-CE2 3.67Å; L417-F438 HydrophobicContact CD1-CZ 3.78Å; L417-F505 HydrophobicContact CD1-CE2 3.95Å; L417-F505 HydrophobicContact CD2-CD2 3.9Å; L417-F505 HydrophobicContact CD2-CE2 3.9Å; L417-F508 HydrophobicContact CD1-CE1 3.81Å; L417-F508 HydrophobicContact CD1-CZ 4.34Å; L417-F508 HydrophobicContact CD2-CD1 3.89Å; L417-F508 HydrophobicContact CD2-CE1 3.75Å; L417-F508 HydrophobicContact CD2-CE2 4.46Å; L417-F508 HydrophobicContact CD2-CG 4.33Å; L417-F508 HydrophobicContact CD2-CZ 4.06Å; L417-F508 HydrophobicContact CG-CD1 4.3Å; L417-F508 HydrophobicContact CG-CE1 3.64Å; L417-F508 HydrophobicContact CG-CZ 3.76Å
418	E	87.9	Confident	82.2	Confident	61 Å²	61	42.6 Å²	42.6	29%	0.285	26%	0.258	S	S	.	.	H	α-helix	trans	-80.7	-18.2	174.8	-68.9	174.7	159.3	0	0	112.8	K414 E415 P416 P420 M431 I434	K414-E418 WeakPolarHBondContact CE-OE1 3.27Å; K414-E418 IonicContact NZ-OE1 2.87Å; K414-E418 PolarHBondContact NZ-OE1 2.91Å; K414-E418 IonicContact NZ-OE2 3.92Å; K414-E418 PolarHBondContact NZ-OE2 3.14Å; K414-E418 PolarHBondContact O-N 3.24Å; K414-E418 VanDerWaalsContact O-N 3.16Å; E415-E418 PolarHBondContact O-N 3.01Å; P416-E418 VanDerWaalsContact C-N 3.34Å; E418-P420 WeakPolarHBondContact O-CD 3.46Å; E418-M431 HydrophobicContact CG-CE 4.33Å; E418-I434 HydrophobicContact CG-CD1 4.23Å; E418-I434 HydrophobicContact CG-CG2 4.01Å
419	N	84.6	Confident	82.1	Confident	77 Å²	77	41.5 Å²	41.5	41%	0.412	25%	0.251	S	S	.	.			trans	-105.8	101.7	-175	-75	-51.7	0	0	0	112.3	E415 P416 S421 V422	E415-N419 WeakPolarHBondContact O-CB 3.39Å; E415-N419 PolarHBondContact O-N 2.72Å; E415-N419 PolarHBondContact O-ND2 2.91Å; P416-N419 PolarHBondContact O-N 3.39Å; N419-S421 PolarHBondContact O-N 3.14Å; N419-S421 VanDerWaalsContact O-N 3.09Å; N419-V422 HydrophobicContact CB-CG2 4.09Å; N419-V422 PolarHBondContact O-N 2.82Å
420	P	74.7	Confident	82	Confident	54 Å²	54	45.3 Å²	45.3	35%	0.351	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.9	-177.3	24.9	-34	0	0	0	113.6	E418 V422 T423 G425 L427	E418-P420 WeakPolarHBondContact O-CD 3.46Å; P420-V422 PolarHBondContact O-N 3.42Å; P420-T423 WeakPolarHBondContact CA-OG1 3.21Å; P420-T423 PolarHBondContact O-N 3.18Å; P420-T423 PolarHBondContact O-OG1 2.92Å; P420-G425 VanDerWaalsContact O-CA 3.28Å; P420-G425 WeakPolarHBondContact O-CA 3.26Å; P420-G425 PolarHBondContact O-N 3.26Å; P420-L427 HydrophobicContact CB-CD2 4.29Å
421	S	70.9	Confident	81.8	Confident	102 Å²	102	49.4 Å²	49.4	71%	0.713	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.6	176	53.9	0	0	0	0	112.9	N419	N419-S421 PolarHBondContact O-N 3.14Å; N419-S421 VanDerWaalsContact O-N 3.09Å
422	V	70.2	Confident	81.8	Confident	58 Å²	58	49.9 Å²	49.9	35%	0.352	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-24.7	-178	-174.9	0	0	0	0	111.5	L299 P416 N419 P420	L299-V422 WeakPolarHBondContact CD2-O 3.47Å; P416-V422 HydrophobicContact CB-CG1 4.06Å; N419-V422 HydrophobicContact CB-CG2 4.09Å; N419-V422 PolarHBondContact O-N 2.82Å; P420-V422 PolarHBondContact O-N 3.42Å
423	T	66.8	Low	82	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	9.4	-174.2	53.2	0	0	0	0	113.8	P416 P420 D426 L428 R504	P416-T423 WeakPolarHBondContact O-CG2 3.39Å; P420-T423 WeakPolarHBondContact CA-OG1 3.21Å; P420-T423 PolarHBondContact O-N 3.18Å; P420-T423 PolarHBondContact O-OG1 2.92Å; T423-D426 WeakPolarHBondContact CB-O 3.08Å; T423-D426 PolarHBondContact OG1-O 3.39Å; T423-L428 HydrophobicContact CG2-CD1 3.62Å; T423-L428 HydrophobicContact CG2-CG 3.7Å; T423-R504 PolarHBondContact O-NH2 3Å
424	G	63.3	Low	82.1	Confident	38 Å²	38	49.9 Å²	49.9	39%	0.392	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	25.5	178.9	0	0	0	0	0	114.3
425	G	64.8	Low	82.1	Confident	52 Å²	52	55.9 Å²	55.9	54%	0.536	33%	0.326	S	S	.	.	S	Bend	trans	99.4	-15.7	172.4	0	0	0	0	0	115.3	P420	P420-G425 VanDerWaalsContact O-CA 3.28Å; P420-G425 WeakPolarHBondContact O-CA 3.26Å; P420-G425 PolarHBondContact O-N 3.26Å
426	D	72.3	Confident	82.2	Confident	99 Å²	99	53.6 Å²	53.6	53%	0.529	32%	0.316	S	S	.	.	S	Bend	trans	-120.5	146.2	179.4	-62.4	-37	0	0	0	111.1	T423 L428 R504	T423-D426 WeakPolarHBondContact CB-O 3.08Å; T423-D426 PolarHBondContact OG1-O 3.39Å; D426-L428 PolarHBondContact O-N 2.91Å; D426-R504 IonicContact OD2-NH1 3.68Å
427	L	81.6	Confident	82.4	Confident	85 Å²	85	53 Å²	53	45%	0.445	31%	0.312	S	S	.	.			trans	-68.6	126.5	171.4	-68.1	171.6	0	0	0	110.1	P420 L429	P420-L427 HydrophobicContact CB-CD2 4.29Å; L427-L429 VanDerWaalsContact C-N 3.32Å; L427-L429 WeakPolarHBondContact CB-O 3.3Å
428	L	84.9	Confident	82.5	Confident	13 Å²	13	53.1 Å²	53.1	7%	0.068	31%	0.313	C	S	.	.	S	Bend	trans	-72.5	-29.8	177.6	-62.3	-179.6	0	0	0	112.2	Q298 L417 T423 D426 K502 R504 F508	Q298-L428 HydrophobicContact CG-CD1 4.24Å; L417-L428 HydrophobicContact CD2-CB 4.02Å; L417-L428 HydrophobicContact CD2-CD1 4.06Å; T423-L428 HydrophobicContact CG2-CD1 3.62Å; T423-L428 HydrophobicContact CG2-CG 3.7Å; D426-L428 PolarHBondContact O-N 2.91Å; L428-K502 WeakPolarHBondContact O-CD 3.11Å; L428-R504 HydrophobicContact CD2-CB 3.67Å; L428-F508 HydrophobicContact CD1-CB 3.6Å; L428-F508 HydrophobicContact CD1-CD2 3.92Å; L428-F508 HydrophobicContact CD1-CG 3.83Å
429	L	88.5	Confident	82.4	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	32%	0.319	C	S	.	.	S	Bend	trans	-131.7	150.8	178	-63.6	-177	0	0	0	109.3	L417 L427 E433 I434 I437 C498 K502 F505	L417-L429 HydrophobicContact CD1-CD1 4.28Å; L417-L429 HydrophobicContact CD2-CD1 4.45Å; L417-L429 HydrophobicContact CD2-CG 4.47Å; L427-L429 VanDerWaalsContact C-N 3.32Å; L427-L429 WeakPolarHBondContact CB-O 3.3Å; L429-E433 VanDerWaalsContact CA-OE2 3.3Å; L429-E433 WeakPolarHBondContact CA-OE2 3.46Å; L429-E433 HydrophobicContact CB-CB 4.21Å; L429-I434 HydrophobicContact CB-CD1 4.23Å; L429-I434 HydrophobicContact CB-CG1 3.73Å; L429-I434 HydrophobicContact CD1-CG1 4.25Å; L429-I437 HydrophobicContact CD1-CD1 3.73Å; L429-C498 HydrophobicContact CD2-CB 3.79Å; L429-K502 HydrophobicContact CD2-CD 3.89Å; L429-F505 HydrophobicContact CD1-CD2 3.92Å; L429-F505 HydrophobicContact CD1-CE1 4.46Å; L429-F505 HydrophobicContact CD1-CE2 3.5Å; L429-F505 VanDerWaalsContact CD1-CE2 3.5Å; L429-F505 HydrophobicContact CD1-CZ 3.79Å; L429-F505 HydrophobicContact CD2-CB 4.45Å; L429-F505 HydrophobicContact CD2-CD1 4.19Å; L429-F505 HydrophobicContact CD2-CD2 4.02Å; L429-F505 HydrophobicContact CD2-CE1 4.47Å; L429-F505 HydrophobicContact CD2-CE2 4.33Å; L429-F505 HydrophobicContact CD2-CG 3.95Å; L429-F505 HydrophobicContact CG-CD2 3.84Å; L429-F505 HydrophobicContact CG-CE2 3.97Å; L429-F505 HydrophobicContact CG-CG 4.29Å; L429-F505 HydrophobicContact CG-CZ 4.5Å
430	D	88.8	Confident	82.6	Confident	80 Å²	80	50.1 Å²	50.1	43%	0.428	31%	0.309	S	S	.	.			trans	-74.8	163.2	170.2	73.8	38.7	0	0	0	111.1	A432 E433 I434	D430-A432 PolarHBondContact O-N 3.41Å; D430-A432 WeakPolarHBondContact OD1-CA 3.12Å; D430-A432 WeakPolarHBondContact OD1-CB 3.41Å; D430-A432 PolarHBondContact OD1-N 3.35Å; D430-E433 PolarHBondContact N-OE2 3.09Å; D430-E433 PolarHBondContact O-N 3.12Å; D430-E433 WeakPolarHBondContact OD1-CB 3.4Å; D430-E433 VanDerWaalsContact OD1-CG 3.32Å; D430-E433 WeakPolarHBondContact OD1-CG 3.28Å; D430-E433 PolarHBondContact OD1-N 3.06Å; D430-I434 WeakPolarHBondContact O-CG1 3.39Å; D430-I434 PolarHBondContact O-N 3.48Å
431	M	88.8	Confident	83.4	Confident	105 Å²	105	47.6 Å²	47.6	52%	0.517	29%	0.292	S	S	.	.	H	α-helix	trans	-64.9	-23	-177.8	-65.2	-56.5	-61.4	0	0	113.2	E418 I434 K435	E418-M431 HydrophobicContact CG-CE 4.33Å; M431-I434 HydrophobicContact SD-CD1 4.11Å; M431-K435 VanDerWaalsContact O-CB 3.25Å; M431-K435 WeakPolarHBondContact O-CB 3.43Å; M431-K435 PolarHBondContact O-N 3.24Å
432	A	91.1	Very high	84.4	Confident	59 Å²	59	44.2 Å²	44.2	49%	0.488	27%	0.268	S	S	.	.	H	α-helix	trans	-76.4	-42.2	177.9	0	0	0	0	0	111	D430 K435 I436	D430-A432 PolarHBondContact O-N 3.41Å; D430-A432 WeakPolarHBondContact OD1-CA 3.12Å; D430-A432 WeakPolarHBondContact OD1-CB 3.41Å; D430-A432 PolarHBondContact OD1-N 3.35Å; A432-K435 PolarHBondContact O-N 3.16Å; A432-I436 VanDerWaalsContact O-CG1 3.23Å; A432-I436 WeakPolarHBondContact O-CG1 3.44Å; A432-I436 PolarHBondContact O-N 3.44Å
433	E	92	Very high	85.5	Confident	20 Å²	20	45.5 Å²	45.5	9%	0.093	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-47.3	172.7	-69	169.5	150.1	0	0	110.6	L429 D430 K435 I436 I437 M494 K502	L429-E433 VanDerWaalsContact CA-OE2 3.3Å; L429-E433 WeakPolarHBondContact CA-OE2 3.46Å; L429-E433 HydrophobicContact CB-CB 4.21Å; D430-E433 PolarHBondContact N-OE2 3.09Å; D430-E433 PolarHBondContact O-N 3.12Å; D430-E433 WeakPolarHBondContact OD1-CB 3.4Å; D430-E433 VanDerWaalsContact OD1-CG 3.32Å; D430-E433 WeakPolarHBondContact OD1-CG 3.28Å; D430-E433 PolarHBondContact OD1-N 3.06Å; E433-K435 VanDerWaalsContact C-N 3.32Å; E433-K435 PolarHBondContact O-N 3.45Å; E433-I436 PolarHBondContact O-N 3.24Å; E433-I436 VanDerWaalsContact O-N 3.16Å; E433-I437 WeakPolarHBondContact O-CG1 3.4Å; E433-I437 PolarHBondContact O-N 3.19Å; E433-M494 HydrophobicContact CG-SD 3.99Å; E433-K502 WeakPolarHBondContact OE1-CE 3.49Å; E433-K502 IonicContact OE1-NZ 3.15Å; E433-K502 PolarHBondContact OE1-NZ 3.41Å; E433-K502 IonicContact OE2-NZ 2.75Å; E433-K502 PolarHBondContact OE2-NZ 2.89Å
434	I	92.1	Very high	86.9	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.015	27%	0.27	C	S	.	.	H	α-helix	trans	-58.3	-46	175.6	-65.8	171	0	0	0	110.3	L417 E418 L429 D430 M431 I436 I437 F438	L417-I434 HydrophobicContact CB-CD1 4.15Å; L417-I434 HydrophobicContact CB-CG1 4.42Å; L417-I434 WeakPolarHBondContact O-CD1 3.38Å; E418-I434 HydrophobicContact CG-CD1 4.23Å; E418-I434 HydrophobicContact CG-CG2 4.01Å; L429-I434 HydrophobicContact CB-CD1 4.23Å; L429-I434 HydrophobicContact CB-CG1 3.73Å; L429-I434 HydrophobicContact CD1-CG1 4.25Å; D430-I434 WeakPolarHBondContact O-CG1 3.39Å; D430-I434 PolarHBondContact O-N 3.48Å; M431-I434 HydrophobicContact SD-CD1 4.11Å; I434-I436 VanDerWaalsContact C-N 3.32Å; I434-I436 PolarHBondContact O-N 3.48Å; I434-I437 PolarHBondContact O-N 3.13Å; I434-F438 HydrophobicContact CG2-CD2 3.84Å; I434-F438 HydrophobicContact CG2-CE2 4.32Å; I434-F438 WeakPolarHBondContact O-CD2 3.33Å; I434-F438 PolarHBondContact O-N 3.2Å
435	K	91.9	Very high	88.3	Confident	163 Å²	163	45.1 Å²	45.1	71%	0.709	26%	0.258	S	S	*	.	H	α-helix	trans	-64.3	-34.7	178.1	-174	174.3	-177.8	176.1	0	112.7	M431 A432 E433 G439	M431-K435 VanDerWaalsContact O-CB 3.25Å; M431-K435 WeakPolarHBondContact O-CB 3.43Å; M431-K435 PolarHBondContact O-N 3.24Å; A432-K435 PolarHBondContact O-N 3.16Å; E433-K435 VanDerWaalsContact C-N 3.32Å; E433-K435 PolarHBondContact O-N 3.45Å; K435-G439 WeakPolarHBondContact O-CA 3.44Å; K435-G439 PolarHBondContact O-N 2.94Å
436	I	91.9	Very high	89.7	Confident	41 Å²	41	47.4 Å²	47.4	21%	0.21	26%	0.258	C	S	.	.	H	α-helix	trans	-70.9	-39.4	175.3	-69.3	165	0	0	0	110.8	A432 E433 I434 R490 T491 M494	A432-I436 VanDerWaalsContact O-CG1 3.23Å; A432-I436 WeakPolarHBondContact O-CG1 3.44Å; A432-I436 PolarHBondContact O-N 3.44Å; E433-I436 PolarHBondContact O-N 3.24Å; E433-I436 VanDerWaalsContact O-N 3.16Å; I434-I436 VanDerWaalsContact C-N 3.32Å; I434-I436 PolarHBondContact O-N 3.48Å; I436-R490 HydrophobicContact CG2-CG 4.15Å; I436-T491 PolarHBondContact O-OG1 3.35Å; I436-M494 HydrophobicContact CB-CG 4.33Å; I436-M494 HydrophobicContact CD1-CE 3.77Å; I436-M494 HydrophobicContact CG2-CB 3.73Å; I436-M494 HydrophobicContact CG2-CE 4.46Å; I436-M494 HydrophobicContact CG2-CG 3.91Å
437	I	92.8	Very high	90.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-75.2	-42.5	-176.1	-67.8	169.2	0	0	0	112.5	L429 E433 I434 T491 M494 L495 F505 L523	L429-I437 HydrophobicContact CD1-CD1 3.73Å; E433-I437 WeakPolarHBondContact O-CG1 3.4Å; E433-I437 PolarHBondContact O-N 3.19Å; I434-I437 PolarHBondContact O-N 3.13Å; I437-T491 WeakPolarHBondContact O-CG2 3.25Å; I437-M494 HydrophobicContact CD1-CG 4.24Å; I437-M494 HydrophobicContact CG1-CB 4.37Å; I437-M494 HydrophobicContact CG1-CG 3.95Å; I437-L495 HydrophobicContact CD1-CD1 4.46Å; I437-F505 HydrophobicContact CD1-CZ 4.5Å; I437-L523 HydrophobicContact CG2-CD2 4.48Å
438	F	92.6	Very high	91.3	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-99.4	-20.8	-177.3	-61.3	-75.2	0	0	0	113.2	I409 K414 L417 I434 N440 L441 L523	I409-F438 HydrophobicContact CG2-CD1 4.03Å; I409-F438 HydrophobicContact CG2-CE1 3.83Å; K414-F438 HydrophobicContact CB-CD1 3.86Å; K414-F438 HydrophobicContact CB-CD2 4.06Å; K414-F438 HydrophobicContact CB-CE1 3.94Å; K414-F438 HydrophobicContact CB-CE2 4.15Å; K414-F438 HydrophobicContact CB-CG 3.92Å; K414-F438 HydrophobicContact CB-CZ 4.09Å; K414-F438 HydrophobicContact CD-CB 4.08Å; K414-F438 HydrophobicContact CD-CG 4.22Å; K414-F438 HydrophobicContact CG-CB 4.23Å; K414-F438 HydrophobicContact CG-CD1 4.32Å; K414-F438 HydrophobicContact CG-CD2 3.92Å; K414-F438 HydrophobicContact CG-CE2 4.39Å; K414-F438 HydrophobicContact CG-CG 3.88Å; L417-F438 HydrophobicContact CD1-CE2 3.67Å; L417-F438 HydrophobicContact CD1-CZ 3.78Å; I434-F438 HydrophobicContact CG2-CD2 3.84Å; I434-F438 HydrophobicContact CG2-CE2 4.32Å; I434-F438 WeakPolarHBondContact O-CD2 3.33Å; I434-F438 PolarHBondContact O-N 3.2Å; F438-N440 PolarHBondContact O-N 2.96Å; F438-L441 HydrophobicContact CD1-CD2 4.47Å; F438-L441 WeakPolarHBondContact O-CB 3.35Å; F438-L441 PolarHBondContact O-N 2.75Å; F438-L523 HydrophobicContact CE1-CD1 4.4Å; F438-L523 HydrophobicContact CE1-CD2 4.48Å; F438-L523 HydrophobicContact CZ-CD2 4.32Å
439	G	86.4	Confident	91.7	Very high	41 Å²	41	39.3 Å²	39.3	42%	0.423	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	-124	170.6	0	0	0	0	0	113.6	K435	K435-G439 WeakPolarHBondContact O-CA 3.44Å; K435-G439 PolarHBondContact O-N 2.94Å
440	N	87.5	Confident	91.8	Very high	34 Å²	34	42.3 Å²	42.3	18%	0.182	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	20.4	-178.6	-154.3	60.3	0	0	0	113.1	F438 E443 I444 V480 P483	F438-N440 PolarHBondContact O-N 2.96Å; N440-E443 WeakPolarHBondContact CA-OE2 3.18Å; N440-E443 PolarHBondContact O-N 3.28Å; N440-E443 VanDerWaalsContact OD1-CG 3.31Å; N440-E443 WeakPolarHBondContact OD1-CG 2.91Å; N440-E443 PolarHBondContact OD1-OE1 3.49Å; N440-E443 PolarHBondContact OD1-OE2 3.1Å; N440-E443 VanDerWaalsContact OD1-OE2 3.06Å; N440-I444 WeakPolarHBondContact O-CG1 3.3Å; N440-I444 PolarHBondContact O-N 2.62Å; N440-V480 WeakPolarHBondContact ND2-CA 3.5Å; N440-V480 PolarHBondContact ND2-O 3.45Å; N440-P483 HydrophobicContact CB-CB 4.4Å; N440-P483 HydrophobicContact CB-CG 4.12Å
441	L	92.1	Very high	91.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-39.8	-178.7	-167.1	77.9	0	0	0	113.1	L406 I409 F438 E443 I444 H445 Y484 P530	L406-L441 HydrophobicContact CD2-CD1 3.69Å; L406-L441 HydrophobicContact CD2-CG 4.25Å; I409-L441 HydrophobicContact CB-CD2 3.89Å; I409-L441 HydrophobicContact CD1-CD2 4.12Å; I409-L441 HydrophobicContact CG2-CD2 3.35Å; F438-L441 HydrophobicContact CD1-CD2 4.47Å; F438-L441 WeakPolarHBondContact O-CB 3.35Å; F438-L441 PolarHBondContact O-N 2.75Å; L441-E443 VanDerWaalsContact C-N 3.3Å; L441-E443 PolarHBondContact O-N 3.37Å; L441-I444 PolarHBondContact O-N 3.29Å; L441-H445 PolarHBondContact O-N 3.21Å; L441-Y484 HydrophobicContact CB-CD2 4.49Å; L441-Y484 HydrophobicContact CB-CE2 4.07Å; L441-Y484 HydrophobicContact CD1-CD2 4.45Å; L441-Y484 HydrophobicContact CD1-CE2 3.68Å; L441-Y484 HydrophobicContact CG-CE2 4.48Å; L441-P530 HydrophobicContact CD1-CG 3.67Å
442	P	92.8	Very high	91.9	Very high	31 Å²	31	37.3 Å²	37.3	20%	0.201	20%	0.199	C	C	.	.	H	α-helix	trans	-58	-40.2	175.1	-25.6	36.4	0	0	0	113.2	K414 I444 H445 D446	K414-P442 HydrophobicContact CD-CG 4.11Å; P442-I444 VanDerWaalsContact C-N 3.32Å; P442-I444 PolarHBondContact O-N 2.87Å; P442-H445 WeakPolarHBondContact O-CB 3.22Å; P442-H445 PolarHBondContact O-N 2.88Å; P442-H445 VanDerWaalsContact O-N 3.16Å; P442-D446 PolarHBondContact O-N 3.02Å
443	E	93.6	Very high	91.8	Very high	85 Å²	85	41.2 Å²	41.2	40%	0.397	20%	0.201	S	C	.	.	H	α-helix	trans	-66.6	-35.2	178.1	-64.9	79.4	179.8	0	0	111.6	N440 L441 L447 V480	N440-E443 WeakPolarHBondContact CA-OE2 3.18Å; N440-E443 PolarHBondContact O-N 3.28Å; N440-E443 VanDerWaalsContact OD1-CG 3.31Å; N440-E443 WeakPolarHBondContact OD1-CG 2.91Å; N440-E443 PolarHBondContact OD1-OE1 3.49Å; N440-E443 PolarHBondContact OD1-OE2 3.1Å; N440-E443 VanDerWaalsContact OD1-OE2 3.06Å; L441-E443 VanDerWaalsContact C-N 3.3Å; L441-E443 PolarHBondContact O-N 3.37Å; E443-L447 WeakPolarHBondContact O-CB 3.42Å; E443-L447 PolarHBondContact O-N 3.34Å; E443-L447 VanDerWaalsContact O-N 3.13Å; E443-V480 HydrophobicContact CB-CB 4.46Å; E443-V480 HydrophobicContact CB-CG1 4.11Å
444	I	94.2	Very high	91.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-43.2	171.7	-64.3	172.4	0	0	0	110.2	L406 N440 L441 P442 D446 L447 H448 V480 Y481 Y484 P530	L406-I444 HydrophobicContact CD1-CG2 4.04Å; N440-I444 WeakPolarHBondContact O-CG1 3.3Å; N440-I444 PolarHBondContact O-N 2.62Å; L441-I444 PolarHBondContact O-N 3.29Å; P442-I444 VanDerWaalsContact C-N 3.32Å; P442-I444 PolarHBondContact O-N 2.87Å; I444-D446 PolarHBondContact O-N 3.41Å; I444-L447 PolarHBondContact O-N 3.25Å; I444-H448 WeakPolarHBondContact O-CB 3.46Å; I444-H448 PolarHBondContact O-CD2 2.86Å; I444-H448 VanDerWaalsContact O-CD2 3.25Å; I444-H448 PolarHBondContact O-N 3.44Å; I444-V480 HydrophobicContact CG1-CB 4.35Å; I444-V480 HydrophobicContact CG1-CG2 4.17Å; I444-Y481 HydrophobicContact CD1-CD1 4.44Å; I444-Y481 HydrophobicContact CD1-CE1 4.49Å; I444-Y484 HydrophobicContact CD1-CD1 4.12Å; I444-Y484 HydrophobicContact CD1-CD2 3.99Å; I444-Y484 HydrophobicContact CD1-CG 3.64Å; I444-P530 HydrophobicContact CD1-CB 4.16Å
445	H	94.6	Very high	91.2	Very high	29 Å²	29	44 Å²	44	13%	0.134	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-44.6	175.9	169	-88.9	0	0	0	112.2	L406 I410 L441 P442 H448 S449	L406-H445 HydrophobicContact CB-CB 4.15Å; L406-H445 HydrophobicContact CD1-CB 4.25Å; I410-H445 HydrophobicContact CD1-CB 3.52Å; L441-H445 PolarHBondContact O-N 3.21Å; P442-H445 WeakPolarHBondContact O-CB 3.22Å; P442-H445 PolarHBondContact O-N 2.88Å; P442-H445 VanDerWaalsContact O-N 3.16Å; H445-H448 PolarHBondContact O-N 3.47Å; H445-S449 PolarHBondContact CE1-OG 3.37Å; H445-S449 PolarHBondContact NE2-OG 3.47Å; H445-S449 WeakPolarHBondContact O-CB 3.48Å; H445-S449 PolarHBondContact O-N 3.18Å; H445-S449 PolarHBondContact O-OG 3.35Å
446	D	93.8	Very high	90.8	Very high	101 Å²	101	37.5 Å²	37.5	54%	0.54	19%	0.191	S	C	.	.	H	α-helix	trans	-65.5	-41.6	-179.5	-72.4	-10.7	0	0	0	111.9	P442 I444 K450	P442-D446 PolarHBondContact O-N 3.02Å; I444-D446 PolarHBondContact O-N 3.41Å; D446-K450 WeakPolarHBondContact O-CB 3.47Å; D446-K450 PolarHBondContact O-N 2.93Å
447	L	93.7	Very high	90.5	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-56.5	173.3	178.3	72.7	0	0	0	111.1	E443 I444 S449 K450 L451 Q473 E476 M477 V480 Y481	E443-L447 WeakPolarHBondContact O-CB 3.42Å; E443-L447 PolarHBondContact O-N 3.34Å; E443-L447 VanDerWaalsContact O-N 3.13Å; I444-L447 PolarHBondContact O-N 3.25Å; L447-S449 VanDerWaalsContact C-N 3.31Å; L447-S449 PolarHBondContact O-N 3.02Å; L447-K450 WeakPolarHBondContact O-CB 3.3Å; L447-K450 PolarHBondContact O-N 2.87Å; L447-K450 VanDerWaalsContact O-N 3.09Å; L447-L451 PolarHBondContact O-N 3.39Å; L447-Q473 HydrophobicContact CD1-CB 3.9Å; L447-Q473 PolarHBondContact O-OE1 2.62Å; L447-E476 HydrophobicContact CD1-CB 3.45Å; L447-E476 VanDerWaalsContact CD1-CB 3.45Å; L447-E476 HydrophobicContact CD1-CG 4.37Å; L447-E476 WeakPolarHBondContact CD1-OE2 3.47Å; L447-M477 HydrophobicContact CD2-CB 4.4Å; L447-M477 HydrophobicContact CD2-CG 3.62Å; L447-V480 HydrophobicContact CD2-CG2 3.57Å; L447-Y481 HydrophobicContact CD2-CE2 4.41Å
448	H	93.7	Very high	89.9	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-68.8	-30.3	-176.2	-79.3	-88	0	0	0	112.5	E399 Y402 V403 L406 I444 H445 K450 L451 Y452 Y481	E399-H448 WeakPolarHBondContact OE1-CB 3.26Å; E399-H448 IonicContact OE1-CE1 3.87Å; E399-H448 IonicContact OE1-CG 3.67Å; E399-H448 IonicContact OE1-ND1 3.28Å; E399-H448 PolarHBondContact OE1-ND1 2.8Å; E399-H448 IonicContact OE2-ND1 3.27Å; Y402-H448 HydrophobicContact CD1-CB 4.23Å; Y402-H448 AromaticContact CD1-CG 3.86Å; Y402-H448 AromaticContact CD1-ND1 3.61Å; Y402-H448 HydrophobicContact CE1-CB 4.17Å; Y402-H448 AromaticContact CE1-CD2 3.79Å; Y402-H448 AromaticContact CE1-CE1 3.77Å; Y402-H448 AromaticContact CE1-CG 3.52Å; Y402-H448 AromaticContact CE1-ND1 3.51Å; Y402-H448 AromaticContact CE1-NE2 3.95Å; V403-H448 HydrophobicContact CG2-CB 3.91Å; V403-H448 WeakPolarHBondContact CG2-O 3.3Å; L406-H448 HydrophobicContact CD1-CB 4.29Å; I444-H448 WeakPolarHBondContact O-CB 3.46Å; I444-H448 PolarHBondContact O-CD2 2.86Å; I444-H448 VanDerWaalsContact O-CD2 3.25Å; I444-H448 PolarHBondContact O-N 3.44Å; H445-H448 PolarHBondContact O-N 3.47Å; H448-K450 VanDerWaalsContact C-N 3.33Å; H448-K450 PolarHBondContact O-N 3.48Å; H448-L451 PolarHBondContact O-N 2.85Å; H448-Y452 WeakPolarHBondContact O-CB 3.32Å; H448-Y452 PolarHBondContact O-N 3.39Å; H448-Y481 PolarHBondContact CE1-OH 3.44Å; H448-Y481 AromaticContact NE2-CE2 3.6Å; H448-Y481 AromaticContact NE2-CZ 3.59Å; H448-Y481 PolarHBondContact NE2-OH 2.83Å
449	S	93	Very high	89.3	Confident	16 Å²	16	43 Å²	43	11%	0.112	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-36.3	170.8	-67.1	0	0	0	0	112.4	H445 L447 R453	H445-S449 PolarHBondContact CE1-OG 3.37Å; H445-S449 PolarHBondContact NE2-OG 3.47Å; H445-S449 WeakPolarHBondContact O-CB 3.48Å; H445-S449 PolarHBondContact O-N 3.18Å; H445-S449 PolarHBondContact O-OG 3.35Å; L447-S449 VanDerWaalsContact C-N 3.31Å; L447-S449 PolarHBondContact O-N 3.02Å; S449-R453 WeakPolarHBondContact O-CG 3.28Å; S449-R453 PolarHBondContact O-N 2.99Å; S449-R453 PolarHBondContact O-NE 3.23Å; S449-R453 VanDerWaalsContact O-NE 3.09Å
450	K	91.5	Very high	88.9	Confident	64 Å²	64	50.2 Å²	50.2	28%	0.278	24%	0.237	S	C	.	.	H	α-helix	trans	-70.3	-45.4	174	-174.6	-172.2	165.3	-162.6	0	110.4	D446 L447 H448 Y452 R453 E454 Q473 E476	D446-K450 WeakPolarHBondContact O-CB 3.47Å; D446-K450 PolarHBondContact O-N 2.93Å; L447-K450 WeakPolarHBondContact O-CB 3.3Å; L447-K450 PolarHBondContact O-N 2.87Å; L447-K450 VanDerWaalsContact O-N 3.09Å; H448-K450 VanDerWaalsContact C-N 3.33Å; H448-K450 PolarHBondContact O-N 3.48Å; K450-Y452 PolarHBondContact O-N 3.46Å; K450-R453 PolarHBondContact O-N 2.84Å; K450-E454 WeakPolarHBondContact CE-OE1 3.42Å; K450-E454 WeakPolarHBondContact O-CG 3.39Å; K450-E454 PolarHBondContact O-N 3.05Å; K450-Q473 VanDerWaalsContact CD-NE2 3.26Å; K450-E476 IonicContact NZ-OE1 3.3Å; K450-E476 PolarHBondContact NZ-OE1 2.98Å; K450-E476 IonicContact NZ-OE2 3.9Å; K450-E476 PolarHBondContact NZ-OE2 2.95Å
451	L	90	Very high	88.5	Confident	6 Å²	6	54 Å²	54	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-45.4	175.4	-178.4	58.7	0	0	0	112	L447 H448 R453 E454 L455 M477	L447-L451 PolarHBondContact O-N 3.39Å; H448-L451 PolarHBondContact O-N 2.85Å; L451-R453 PolarHBondContact O-N 2.76Å; L451-E454 PolarHBondContact O-N 3.5Å; L451-L455 HydrophobicContact CD1-CD1 4.28Å; L451-L455 HydrophobicContact CD1-CG 4.32Å; L451-L455 HydrophobicContact CG-CD1 4.07Å; L451-L455 WeakPolarHBondContact O-CB 3.48Å; L451-L455 VanDerWaalsContact O-CG 3.32Å; L451-L455 WeakPolarHBondContact O-CG 3.32Å; L451-L455 PolarHBondContact O-N 2.94Å; L451-M477 HydrophobicContact CD2-CE 4.06Å
452	Y	89.1	Confident	87.6	Confident	75 Å²	75	56.3 Å²	56.3	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-57.9	-46.5	174.4	170.5	-107.3	0	0	0	112.1	M396 C400 H448 K450 E454 L455 A456	M396-Y452 HydrophobicContact CG-CD2 4.22Å; M396-Y452 HydrophobicContact CG-CE2 3.99Å; C400-Y452 HydrophobicContact CB-CD2 3.98Å; C400-Y452 HydrophobicContact CB-CE2 3.54Å; H448-Y452 WeakPolarHBondContact O-CB 3.32Å; H448-Y452 PolarHBondContact O-N 3.39Å; K450-Y452 PolarHBondContact O-N 3.46Å; Y452-E454 VanDerWaalsContact C-N 3.34Å; Y452-E454 PolarHBondContact O-N 2.85Å; Y452-L455 PolarHBondContact O-N 2.95Å; Y452-A456 VanDerWaalsContact O-CB 3.32Å; Y452-A456 WeakPolarHBondContact O-CB 3.44Å; Y452-A456 PolarHBondContact O-N 3Å
453	R	88.6	Confident	86.3	Confident	140 Å²	140	56.5 Å²	56.5	53%	0.528	26%	0.264	S	S	.	.	H	α-helix	trans	-60.4	-42.6	177.3	-79.6	179.2	-85	131.9	-10.6	112.1	S449 K450 L451 N457	S449-R453 WeakPolarHBondContact O-CG 3.28Å; S449-R453 PolarHBondContact O-N 2.99Å; S449-R453 PolarHBondContact O-NE 3.23Å; S449-R453 VanDerWaalsContact O-NE 3.09Å; K450-R453 PolarHBondContact O-N 2.84Å; L451-R453 PolarHBondContact O-N 2.76Å; R453-N457 WeakPolarHBondContact O-CB 3.39Å; R453-N457 VanDerWaalsContact O-CG 3.25Å; R453-N457 PolarHBondContact O-N 2.88Å; R453-N457 PolarHBondContact O-ND2 3.27Å
454	E	86.6	Confident	84.8	Confident	77 Å²	77	59.1 Å²	59.1	36%	0.36	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-44.5	176.5	-72.6	172.8	-170.9	0	0	111.5	K450 L451 Y452 N457 L458 Q473	K450-E454 WeakPolarHBondContact CE-OE1 3.42Å; K450-E454 WeakPolarHBondContact O-CG 3.39Å; K450-E454 PolarHBondContact O-N 3.05Å; L451-E454 PolarHBondContact O-N 3.5Å; Y452-E454 VanDerWaalsContact C-N 3.34Å; Y452-E454 PolarHBondContact O-N 2.85Å; E454-N457 PolarHBondContact O-N 3.39Å; E454-L458 WeakPolarHBondContact O-CB 3.49Å; E454-L458 PolarHBondContact O-N 3.27Å; E454-Q473 PolarHBondContact OE1-NE2 2.87Å; E454-Q473 PolarHBondContact OE2-NE2 3.45Å
455	L	84.8	Confident	83.1	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-42.6	176.3	-71.5	171.2	0	0	0	112.6	L395 M396 E399 L451 Y452 L458 I459 I470	L395-L455 HydrophobicContact CD2-CD1 4.19Å; L395-L455 HydrophobicContact CD2-CD2 3.97Å; L395-L455 HydrophobicContact CG-CD1 3.99Å; M396-L455 HydrophobicContact CB-CB 4.18Å; M396-L455 HydrophobicContact CG-CB 4.25Å; E399-L455 HydrophobicContact CB-CD1 4.19Å; E399-L455 HydrophobicContact CG-CD1 4.12Å; L451-L455 HydrophobicContact CD1-CD1 4.28Å; L451-L455 HydrophobicContact CD1-CG 4.32Å; L451-L455 HydrophobicContact CG-CD1 4.07Å; L451-L455 WeakPolarHBondContact O-CB 3.48Å; L451-L455 VanDerWaalsContact O-CG 3.32Å; L451-L455 WeakPolarHBondContact O-CG 3.32Å; L451-L455 PolarHBondContact O-N 2.94Å; Y452-L455 PolarHBondContact O-N 2.95Å; L455-L458 PolarHBondContact O-N 3.07Å; L455-I459 WeakPolarHBondContact O-CG1 3.27Å; L455-I459 PolarHBondContact O-N 2.75Å; L455-I470 HydrophobicContact CD2-CG2 4.25Å
456	A	84.5	Confident	81.1	Confident	27 Å²	27	67.6 Å²	67.6	22%	0.223	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-43.2	177.6	0	0	0	0	0	111.6	M396 Y452 L458 I459 Y460	M396-A456 HydrophobicContact SD-CB 4.1Å; Y452-A456 VanDerWaalsContact O-CB 3.32Å; Y452-A456 WeakPolarHBondContact O-CB 3.44Å; Y452-A456 PolarHBondContact O-N 3Å; A456-L458 VanDerWaalsContact C-N 3.32Å; A456-L458 PolarHBondContact O-N 2.95Å; A456-I459 PolarHBondContact O-N 3.27Å; A456-Y460 WeakPolarHBondContact O-CB 3.49Å; A456-Y460 PolarHBondContact O-N 3.42Å
457	N	84.5	Confident	79.2	Confident	98 Å²	98	63.3 Å²	63.3	52%	0.524	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-39.9	175.2	-78.5	-28.5	0	0	0	112.3	R453 E454 I459 Y460 H461	R453-N457 WeakPolarHBondContact O-CB 3.39Å; R453-N457 VanDerWaalsContact O-CG 3.25Å; R453-N457 PolarHBondContact O-N 2.88Å; R453-N457 PolarHBondContact O-ND2 3.27Å; E454-N457 PolarHBondContact O-N 3.39Å; N457-I459 VanDerWaalsContact C-N 3.35Å; N457-Y460 PolarHBondContact O-N 2.97Å; N457-H461 PolarHBondContact O-N 3.01Å; N457-H461 VanDerWaalsContact O-N 3.07Å; N457-H461 PolarHBondContact O-ND1 3.3Å
458	L	80.3	Confident	77.2	Confident	29 Å²	29	71.7 Å²	71.7	15%	0.152	33%	0.334	C	S	.	.	H	α-helix	trans	-65.3	-37	176.7	179.6	148.8	0	0	0	112.1	E454 L455 A456 W462 I467 I470	E454-L458 WeakPolarHBondContact O-CB 3.49Å; E454-L458 PolarHBondContact O-N 3.27Å; L455-L458 PolarHBondContact O-N 3.07Å; A456-L458 VanDerWaalsContact C-N 3.32Å; A456-L458 PolarHBondContact O-N 2.95Å; L458-W462 HydrophobicContact CD2-CE3 3.82Å; L458-W462 HydrophobicContact CD2-CZ3 3.59Å; L458-W462 WeakPolarHBondContact O-CA 3.25Å; L458-W462 PolarHBondContact O-N 3.44Å; L458-I467 HydrophobicContact CD1-CG1 4.4Å; L458-I467 HydrophobicContact CD2-CG1 4.2Å; L458-I470 HydrophobicContact CD1-CG1 3.87Å
459	I	79.9	Confident	75.5	Confident	33 Å²	33	75.5 Å²	75.5	17%	0.169	36%	0.361	C	S	.	.	H	α-helix	trans	-74.7	-36.3	176.8	-72.8	161.1	0	0	0	111.8	A392 V393 M396 L455 A456 N457 W462	A392-I459 HydrophobicContact CB-CG1 4.5Å; V393-I459 HydrophobicContact CB-CD1 4.38Å; V393-I459 HydrophobicContact CG2-CD1 4.02Å; V393-I459 HydrophobicContact CG2-CG1 4.21Å; V393-I459 HydrophobicContact CG2-CG2 4.13Å; M396-I459 HydrophobicContact CB-CD1 3.34Å; M396-I459 HydrophobicContact CE-CD1 4.01Å; M396-I459 HydrophobicContact CG-CD1 3.77Å; M396-I459 HydrophobicContact SD-CB 4.33Å; M396-I459 HydrophobicContact SD-CD1 3.32Å; M396-I459 WeakPolarHBondContact SD-CD1 3.34Å; M396-I459 HydrophobicContact SD-CG1 4.41Å; M396-I459 HydrophobicContact SD-CG2 4.5Å; L455-I459 WeakPolarHBondContact O-CG1 3.27Å; L455-I459 PolarHBondContact O-N 2.75Å; A456-I459 PolarHBondContact O-N 3.27Å; N457-I459 VanDerWaalsContact C-N 3.35Å; I459-W462 WeakPolarHBondContact O-CB 3.38Å; I459-W462 PolarHBondContact O-N 3.01Å
460	Y	78.8	Confident	74.1	Confident	193 Å²	193	77.4 Å²	77.4	76%	0.757	37%	0.37	S	S	*	.	H	α-helix	trans	-66.9	-41.8	177.6	-173.5	-91.4	0	0	0	112.1	A456 N457 W462	A456-Y460 WeakPolarHBondContact O-CB 3.49Å; A456-Y460 PolarHBondContact O-N 3.42Å; N457-Y460 PolarHBondContact O-N 2.97Å; Y460-W462 VanDerWaalsContact C-N 3.31Å; Y460-W462 PolarHBondContact O-N 3.27Å
461	H	78.2	Confident	73.1	Confident	113 Å²	113	79.4 Å²	79.4	52%	0.523	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	31.6	178.1	-58.1	92.7	0	0	0	112.4	N457 S463 Q466	N457-H461 PolarHBondContact O-N 3.01Å; N457-H461 VanDerWaalsContact O-N 3.07Å; N457-H461 PolarHBondContact O-ND1 3.3Å; H461-S463 PolarHBondContact O-N 2.72Å; H461-Q466 PolarHBondContact O-OE1 2.88Å
462	W	72.7	Confident	72.5	Confident	49 Å²	49	79.6 Å²	79.6	19%	0.186	38%	0.384	C	S	.	.			trans	-54.5	118.2	-170.1	-174.7	-92.3	0	0	0	112.2	R388 Q389 A392 L458 I459 Y460 I467	R388-W462 HydrophobicContact CB-CZ2 4.33Å; R388-W462 HydrophobicContact CG-CH2 4.14Å; R388-W462 HydrophobicContact CG-CZ2 4.23Å; Q389-W462 HydrophobicContact CB-CH2 3.97Å; Q389-W462 HydrophobicContact CB-CZ2 3.48Å; Q389-W462 VanDerWaalsContact CB-CZ2 3.48Å; Q389-W462 HydrophobicContact CG-CD2 4.11Å; Q389-W462 HydrophobicContact CG-CE3 4.49Å; Q389-W462 HydrophobicContact CG-CH2 4.32Å; Q389-W462 HydrophobicContact CG-CZ2 3.96Å; A392-W462 HydrophobicContact CB-CH2 3.74Å; A392-W462 HydrophobicContact CB-CZ3 3.47Å; A392-W462 VanDerWaalsContact CB-CZ3 3.47Å; L458-W462 HydrophobicContact CD2-CE3 3.82Å; L458-W462 HydrophobicContact CD2-CZ3 3.59Å; L458-W462 WeakPolarHBondContact O-CA 3.25Å; L458-W462 PolarHBondContact O-N 3.44Å; I459-W462 WeakPolarHBondContact O-CB 3.38Å; I459-W462 PolarHBondContact O-N 3.01Å; Y460-W462 VanDerWaalsContact C-N 3.31Å; Y460-W462 PolarHBondContact O-N 3.27Å; W462-I467 HydrophobicContact CD2-CD1 4.25Å; W462-I467 HydrophobicContact CE3-CD1 4.03Å; W462-I467 HydrophobicContact CH2-CD1 3.08Å; W462-I467 HydrophobicContact CH2-CG1 4.12Å; W462-I467 HydrophobicContact CZ2-CD1 3.3Å; W462-I467 HydrophobicContact CZ3-CD1 3.47Å; W462-I467 VanDerWaalsContact CZ3-CD1 3.47Å; W462-I467 HydrophobicContact CZ3-CG1 4.09Å
463	S	67.2	Low	72.1	Confident	35 Å²	35	76.2 Å²	76.2	25%	0.245	37%	0.371	C	S	.	.			trans	-132.9	138.7	166.3	72.2	0	0	0	0	109.1	H461 S465 Q466	H461-S463 PolarHBondContact O-N 2.72Å; S463-S465 PolarHBondContact O-N 3.29Å; S463-S465 PolarHBondContact OG-OG 3.29Å; S463-Q466 PolarHBondContact O-N 2.6Å; S463-Q466 VanDerWaalsContact O-N 3.12Å; S463-Q466 WeakPolarHBondContact OG-CB 3.25Å; S463-Q466 WeakPolarHBondContact OG-CG 2.96Å; S463-Q466 PolarHBondContact OG-OE1 3.24Å
464	E	62.1	Low	71.7	Confident	141 Å²	141	70.4 Å²	70.4	66%	0.659	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.8	-179.7	-65.2	-168.3	152.7	0	0	112.8	R388	R388-E464 PolarHBondContact NH1-O 2.84Å
465	S	57	Low	71.5	Confident	97 Å²	97	74.6 Å²	74.6	68%	0.678	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-19.8	178.5	70.7	0	0	0	0	115.7	S463	S463-S465 PolarHBondContact O-N 3.29Å; S463-S465 PolarHBondContact OG-OG 3.29Å
466	Q	53.7	Low	71.7	Confident	110 Å²	110	77.9 Å²	77.9	51%	0.514	39%	0.388	S	S	.	.	S	Bend	trans	-98	-9.9	-162.8	-83	174.2	-26.3	0	0	116.5	H461 S463 R468 S469	H461-Q466 PolarHBondContact O-OE1 2.88Å; S463-Q466 PolarHBondContact O-N 2.6Å; S463-Q466 VanDerWaalsContact O-N 3.12Å; S463-Q466 WeakPolarHBondContact OG-CB 3.25Å; S463-Q466 WeakPolarHBondContact OG-CG 2.96Å; S463-Q466 PolarHBondContact OG-OE1 3.24Å; Q466-R468 PolarHBondContact O-N 3.46Å; Q466-R468 VanDerWaalsContact O-N 3.14Å; Q466-S469 PolarHBondContact O-OG 2.88Å; Q466-S469 VanDerWaalsContact O-OG 3.05Å
467	I	53.1	Low	71.9	Confident	10 Å²	10	76.9 Å²	76.9	5%	0.051	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-81.5	5.9	-168.5	-66.4	149	0	0	0	114	R388 L458 W462 S469 I470	R388-I467 VanDerWaalsContact CD-CD1 3.46Å; R388-I467 HydrophobicContact CG-CD1 4.18Å; R388-I467 VanDerWaalsContact CZ-CG2 3.45Å; R388-I467 VanDerWaalsContact NE-CD1 3.33Å; R388-I467 VanDerWaalsContact NH2-CG2 3.25Å; L458-I467 HydrophobicContact CD1-CG1 4.4Å; L458-I467 HydrophobicContact CD2-CG1 4.2Å; W462-I467 HydrophobicContact CD2-CD1 4.25Å; W462-I467 HydrophobicContact CE3-CD1 4.03Å; W462-I467 HydrophobicContact CH2-CD1 3.08Å; W462-I467 HydrophobicContact CH2-CG1 4.12Å; W462-I467 HydrophobicContact CZ2-CD1 3.3Å; W462-I467 HydrophobicContact CZ3-CD1 3.47Å; W462-I467 VanDerWaalsContact CZ3-CD1 3.47Å; W462-I467 HydrophobicContact CZ3-CG1 4.09Å; I467-S469 PolarHBondContact O-N 3.37Å; I467-I470 HydrophobicContact CG2-CD1 3.68Å; I467-I470 HydrophobicContact CG2-CG1 4Å
468	R	51.1	Low	72	Confident	186 Å²	186	74.3 Å²	74.3	70%	0.702	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-60	3.1	167.5	-76.3	-174.2	169.1	-154.2	-2.8	114.4	Q466	Q466-R468 PolarHBondContact O-N 3.46Å; Q466-R468 VanDerWaalsContact O-N 3.14Å
469	S	58.1	Low	72.4	Confident	82 Å²	82	80.5 Å²	80.5	57%	0.573	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-135.8	22.4	-168	65.1	0	0	0	0	115.2	Q466 I467 N471	Q466-S469 PolarHBondContact O-OG 2.88Å; Q466-S469 VanDerWaalsContact O-OG 3.05Å; I467-S469 PolarHBondContact O-N 3.37Å; S469-N471 PolarHBondContact O-N 3.38Å
470	I	63.4	Low	73	Confident	56 Å²	56	80 Å²	80	29%	0.287	39%	0.39	S	S	.	.			trans	-65	87.3	167.8	-60.1	174.7	0	0	0	108.2	L455 L458 I467 L472	L455-I470 HydrophobicContact CD2-CG2 4.25Å; L458-I470 HydrophobicContact CD1-CG1 3.87Å; I467-I470 HydrophobicContact CG2-CD1 3.68Å; I467-I470 HydrophobicContact CG2-CG1 4Å; I470-L472 HydrophobicContact CG2-CD2 3.71Å; I470-L472 HydrophobicContact CG2-CG 4.17Å; I470-L472 PolarHBondContact O-N 3.35Å
471	N	71.3	Confident	73.6	Confident	105 Å²	105	70.8 Å²	70.8	56%	0.561	35%	0.354	S	S	*	.			trans	-81.4	98.1	173.7	-174.3	1.1	0	0	0	106.6	S469 Q473	S469-N471 PolarHBondContact O-N 3.38Å; N471-Q473 PolarHBondContact O-N 3.36Å; N471-Q473 WeakPolarHBondContact OD1-CA 3.45Å; N471-Q473 PolarHBondContact OD1-N 2.81Å
472	L	76.9	Confident	74.2	Confident	10 Å²	10	65.7 Å²	65.7	5%	0.052	33%	0.331	C	S	.	.			trans	-67.2	11.1	173.1	-62.5	179.1	0	0	0	112.9	L395 I470 A474 M477 L541 A562 L566	L395-L472 HydrophobicContact CD2-CD2 3.98Å; I470-L472 HydrophobicContact CG2-CD2 3.71Å; I470-L472 HydrophobicContact CG2-CG 4.17Å; I470-L472 PolarHBondContact O-N 3.35Å; L472-A474 PolarHBondContact O-N 3.05Å; L472-M477 WeakPolarHBondContact O-CE 3.11Å; L472-L541 HydrophobicContact CD1-CD1 3.9Å; L472-A562 HydrophobicContact CD1-CB 3.77Å; L472-A562 HydrophobicContact CG-CB 4.46Å; L472-L566 HydrophobicContact CD1-CD1 3.74Å; L472-L566 HydrophobicContact CD1-CD2 4.44Å; L472-L566 HydrophobicContact CD1-CG 3.94Å
473	Q	80.4	Confident	75.1	Confident	5 Å²	5	65.5 Å²	65.5	2%	0.023	34%	0.336	C	S	.	.			trans	56.1	36.3	179.1	-57.1	-177.6	-24.8	0	0	112.1	L447 K450 E454 N471 E475 E476 M477	L447-Q473 HydrophobicContact CD1-CB 3.9Å; L447-Q473 PolarHBondContact O-OE1 2.62Å; K450-Q473 VanDerWaalsContact CD-NE2 3.26Å; E454-Q473 PolarHBondContact OE1-NE2 2.87Å; E454-Q473 PolarHBondContact OE2-NE2 3.45Å; N471-Q473 PolarHBondContact O-N 3.36Å; N471-Q473 WeakPolarHBondContact OD1-CA 3.45Å; N471-Q473 PolarHBondContact OD1-N 2.81Å; Q473-E475 PolarHBondContact O-N 2.91Å; Q473-E475 VanDerWaalsContact O-N 3.12Å; Q473-E476 HydrophobicContact CB-CB 4.39Å; Q473-E476 PolarHBondContact O-N 3.4Å; Q473-M477 WeakPolarHBondContact O-CG 3.49Å; Q473-M477 PolarHBondContact O-N 3.25Å
474	A	80.3	Confident	76.2	Confident	18 Å²	18	64.1 Å²	64.1	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-55.7	-34.7	-174.7	0	0	0	0	0	112.7	L472 M477 V478 A565 V569	L472-A474 PolarHBondContact O-N 3.05Å; A474-M477 PolarHBondContact O-N 3.22Å; A474-V478 WeakPolarHBondContact O-CG2 3.39Å; A474-V478 PolarHBondContact O-N 3.07Å; A474-A565 HydrophobicContact CB-CB 3.91Å; A474-V569 HydrophobicContact CB-CG2 4.01Å
475	E	83.7	Confident	77.7	Confident	164 Å²	164	58.2 Å²	58.2	77%	0.766	30%	0.299	S	S	*	.	H	α-helix	trans	-67.7	-36	176.3	-64.8	-176.3	-178.2	0	0	113.3	Q473	Q473-E475 PolarHBondContact O-N 2.91Å; Q473-E475 VanDerWaalsContact O-N 3.12Å
476	E	87.5	Confident	79.1	Confident	74 Å²	74	55 Å²	55	35%	0.346	27%	0.274	S	S	.	.	H	α-helix	trans	-75.9	-37.2	175.9	-63.4	-178.6	-177.1	0	0	110.2	L447 K450 Q473 V478 K479 V480	L447-E476 HydrophobicContact CD1-CB 3.45Å; L447-E476 VanDerWaalsContact CD1-CB 3.45Å; L447-E476 HydrophobicContact CD1-CG 4.37Å; L447-E476 WeakPolarHBondContact CD1-OE2 3.47Å; K450-E476 IonicContact NZ-OE1 3.3Å; K450-E476 PolarHBondContact NZ-OE1 2.98Å; K450-E476 IonicContact NZ-OE2 3.9Å; K450-E476 PolarHBondContact NZ-OE2 2.95Å; Q473-E476 HydrophobicContact CB-CB 4.39Å; Q473-E476 PolarHBondContact O-N 3.4Å; E476-V478 VanDerWaalsContact C-N 3.3Å; E476-V478 PolarHBondContact O-N 3.43Å; E476-K479 WeakPolarHBondContact O-CB 3.43Å; E476-K479 PolarHBondContact O-N 3.46Å; E476-V480 PolarHBondContact O-N 2.81Å
477	M	89	Confident	80.8	Confident	6 Å²	6	55 Å²	55	3%	0.03	27%	0.272	C	S	.	.	H	α-helix	trans	-56.5	-41.1	174.2	-71.1	-179.1	170.8	0	0	112.5	L447 L451 L472 Q473 A474 K479 V480 Y481 L534 L566 V569	L447-M477 HydrophobicContact CD2-CB 4.4Å; L447-M477 HydrophobicContact CD2-CG 3.62Å; L451-M477 HydrophobicContact CD2-CE 4.06Å; L472-M477 WeakPolarHBondContact O-CE 3.11Å; Q473-M477 WeakPolarHBondContact O-CG 3.49Å; Q473-M477 PolarHBondContact O-N 3.25Å; A474-M477 PolarHBondContact O-N 3.22Å; M477-K479 PolarHBondContact O-N 3.36Å; M477-V480 PolarHBondContact O-N 3.37Å; M477-Y481 HydrophobicContact CB-CD2 3.99Å; M477-Y481 HydrophobicContact CB-CE2 4.32Å; M477-Y481 HydrophobicContact CG-CD2 4.24Å; M477-Y481 HydrophobicContact CG-CE2 4.06Å; M477-Y481 WeakPolarHBondContact O-CB 3.42Å; M477-Y481 PolarHBondContact O-N 2.92Å; M477-Y481 VanDerWaalsContact O-N 3.11Å; M477-L534 HydrophobicContact CE-CD2 4.14Å; M477-L534 HydrophobicContact SD-CD2 3.74Å; M477-L566 HydrophobicContact SD-CD2 3.66Å; M477-V569 HydrophobicContact CB-CG1 4.02Å; M477-V569 HydrophobicContact CB-CG2 4.45Å
478	V	87.9	Confident	82.6	Confident	44 Å²	44	55.3 Å²	55.3	27%	0.267	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-24.4	176.4	169.2	0	0	0	0	112.5	A474 E476 P482 V569 F572	A474-V478 WeakPolarHBondContact O-CG2 3.39Å; A474-V478 PolarHBondContact O-N 3.07Å; E476-V478 VanDerWaalsContact C-N 3.3Å; E476-V478 PolarHBondContact O-N 3.43Å; V478-P482 VanDerWaalsContact O-CD 3.27Å; V478-P482 WeakPolarHBondContact O-CD 3.46Å; V478-P482 WeakPolarHBondContact O-CG 3.43Å; V478-V569 HydrophobicContact CG2-CB 4.13Å; V478-V569 HydrophobicContact CG2-CG1 3.95Å; V478-V569 HydrophobicContact CG2-CG2 3.68Å; V478-F572 HydrophobicContact CG1-CD1 3.69Å; V478-F572 HydrophobicContact CG1-CD2 4.39Å; V478-F572 HydrophobicContact CG1-CE1 3.66Å; V478-F572 HydrophobicContact CG1-CE2 4.36Å; V478-F572 HydrophobicContact CG1-CG 4.06Å; V478-F572 HydrophobicContact CG1-CZ 4.01Å
479	K	88.6	Confident	84.4	Confident	159 Å²	159	50.4 Å²	50.4	69%	0.691	26%	0.258	S	S	*	.	H	α-helix	trans	-87.6	-40.9	179.2	-62.4	176.4	-175.8	173.2	0	112.4	E476 M477 P483	E476-K479 WeakPolarHBondContact O-CB 3.43Å; E476-K479 PolarHBondContact O-N 3.46Å; M477-K479 PolarHBondContact O-N 3.36Å; K479-P483 WeakPolarHBondContact O-CD 3.43Å
480	V	91.8	Very high	85.9	Confident	22 Å²	22	53.1 Å²	53.1	13%	0.133	26%	0.256	C	S	.	.	H	α-helix	trans	-91.9	-30.1	-169.1	-57.5	0	0	0	0	114.5	N440 E443 I444 L447 E476 M477 P483	N440-V480 WeakPolarHBondContact ND2-CA 3.5Å; N440-V480 PolarHBondContact ND2-O 3.45Å; E443-V480 HydrophobicContact CB-CB 4.46Å; E443-V480 HydrophobicContact CB-CG1 4.11Å; I444-V480 HydrophobicContact CG1-CB 4.35Å; I444-V480 HydrophobicContact CG1-CG2 4.17Å; L447-V480 HydrophobicContact CD2-CG2 3.57Å; E476-V480 PolarHBondContact O-N 2.81Å; M477-V480 PolarHBondContact O-N 3.37Å; V480-P483 WeakPolarHBondContact O-CD 3.36Å; V480-P483 WeakPolarHBondContact O-CG 3.49Å
481	Y	92	Very high	87.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-76	-42.2	-176.8	-88.2	-84.5	0	0	0	115.2	I444 L447 H448 M477 Y484 I485 P530 L534 I573	I444-Y481 HydrophobicContact CD1-CD1 4.44Å; I444-Y481 HydrophobicContact CD1-CE1 4.49Å; L447-Y481 HydrophobicContact CD2-CE2 4.41Å; H448-Y481 PolarHBondContact CE1-OH 3.44Å; H448-Y481 AromaticContact NE2-CE2 3.6Å; H448-Y481 AromaticContact NE2-CZ 3.59Å; H448-Y481 PolarHBondContact NE2-OH 2.83Å; M477-Y481 HydrophobicContact CB-CD2 3.99Å; M477-Y481 HydrophobicContact CB-CE2 4.32Å; M477-Y481 HydrophobicContact CG-CD2 4.24Å; M477-Y481 HydrophobicContact CG-CE2 4.06Å; M477-Y481 WeakPolarHBondContact O-CB 3.42Å; M477-Y481 PolarHBondContact O-N 2.92Å; M477-Y481 VanDerWaalsContact O-N 3.11Å; Y481-Y484 PolarHBondContact O-N 3.11Å; Y481-Y484 VanDerWaalsContact O-N 3.14Å; Y481-I485 HydrophobicContact CD1-CD1 4.01Å; Y481-I485 PolarHBondContact O-N 3.12Å; Y481-P530 HydrophobicContact CE1-CB 4.23Å; Y481-P530 WeakPolarHBondContact CE1-O 3.15Å; Y481-L534 HydrophobicContact CD1-CD1 3.99Å; Y481-L534 HydrophobicContact CD1-CG 4.36Å; Y481-L534 HydrophobicContact CD2-CD1 3.99Å; Y481-L534 HydrophobicContact CD2-CD2 4.5Å; Y481-L534 HydrophobicContact CE1-CD1 4.07Å; Y481-L534 HydrophobicContact CE1-CD2 4.4Å; Y481-L534 HydrophobicContact CE1-CG 3.94Å; Y481-L534 HydrophobicContact CE2-CD1 4.07Å; Y481-L534 HydrophobicContact CE2-CD2 3.8Å; Y481-L534 HydrophobicContact CE2-CG 4.11Å; Y481-L534 HydrophobicContact CG-CD1 3.92Å; Y481-I573 HydrophobicContact CG-CD1 4.33Å
482	P	91	Very high	88.3	Confident	7 Å²	7	49.3 Å²	49.3	5%	0.045	23%	0.233	C	C	.	.	H	α-helix	trans	-54.6	-47.9	-179.1	-21.5	28.7	0	0	0	114.9	V478 Y484 I485 N486 F572 I573 D576	V478-P482 VanDerWaalsContact O-CD 3.27Å; V478-P482 WeakPolarHBondContact O-CD 3.46Å; V478-P482 WeakPolarHBondContact O-CG 3.43Å; P482-Y484 VanDerWaalsContact C-N 3.26Å; P482-Y484 PolarHBondContact O-N 3Å; P482-I485 PolarHBondContact O-N 3.43Å; P482-N486 VanDerWaalsContact O-CB 3.28Å; P482-N486 WeakPolarHBondContact O-CB 3.47Å; P482-N486 PolarHBondContact O-N 3.48Å; P482-N486 PolarHBondContact O-ND2 3Å; P482-N486 PolarHBondContact O-OD1 3.16Å; P482-F572 HydrophobicContact CG-CD1 4.1Å; P482-F572 HydrophobicContact CG-CE1 3.74Å; P482-I573 HydrophobicContact CG-CG1 4.16Å; P482-D576 HydrophobicContact CB-CB 4.43Å; P482-D576 WeakPolarHBondContact CB-OD2 3.27Å
483	P	90.3	Very high	89	Confident	45 Å²	45	55.2 Å²	55.2	29%	0.292	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-35.9	178.6	24.1	-33.5	0	0	0	111.8	N440 K479 V480 F487	N440-P483 HydrophobicContact CB-CB 4.4Å; N440-P483 HydrophobicContact CB-CG 4.12Å; K479-P483 WeakPolarHBondContact O-CD 3.43Å; V480-P483 WeakPolarHBondContact O-CD 3.36Å; V480-P483 WeakPolarHBondContact O-CG 3.49Å; P483-F487 WeakPolarHBondContact O-CD2 3.4Å; P483-F487 PolarHBondContact O-N 3.26Å
484	Y	92.1	Very high	89.6	Confident	6 Å²	6	56.9 Å²	56.9	2%	0.024	27%	0.268	C	S	.	.	H	α-helix	trans	-67.4	-48.8	176.8	-171.5	-94.9	0	0	0	112.3	L441 I444 Y481 P482 F487 Y488 I527 P530 V531	L441-Y484 HydrophobicContact CB-CD2 4.49Å; L441-Y484 HydrophobicContact CB-CE2 4.07Å; L441-Y484 HydrophobicContact CD1-CD2 4.45Å; L441-Y484 HydrophobicContact CD1-CE2 3.68Å; L441-Y484 HydrophobicContact CG-CE2 4.48Å; I444-Y484 HydrophobicContact CD1-CD1 4.12Å; I444-Y484 HydrophobicContact CD1-CD2 3.99Å; I444-Y484 HydrophobicContact CD1-CG 3.64Å; Y481-Y484 PolarHBondContact O-N 3.11Å; Y481-Y484 VanDerWaalsContact O-N 3.14Å; P482-Y484 VanDerWaalsContact C-N 3.26Å; P482-Y484 PolarHBondContact O-N 3Å; Y484-F487 PolarHBondContact O-N 3.34Å; Y484-Y488 HydrophobicContact CE1-CD2 4.27Å; Y484-Y488 PolarHBondContact O-N 3.42Å; Y484-Y488 VanDerWaalsContact O-N 3.11Å; Y484-I527 WeakPolarHBondContact OH-CB 3.27Å; Y484-I527 PolarHBondContact OH-O 3Å; Y484-P530 HydrophobicContact CD1-CB 3.97Å; Y484-P530 HydrophobicContact CD1-CG 4.44Å; Y484-P530 HydrophobicContact CE1-CB 3.65Å; Y484-P530 HydrophobicContact CE1-CG 3.71Å; Y484-V531 HydrophobicContact CD1-CG2 4.48Å; Y484-V531 HydrophobicContact CE1-CG2 4.15Å
485	I	91.6	Very high	90.3	Very high	17 Å²	17	56.3 Å²	56.3	9%	0.087	26%	0.263	C	S	.	.	H	α-helix	trans	-70	-39.3	-175.1	-68.1	172.5	0	0	0	111.7	Y481 P482 F487 Y488 V531 I573	Y481-I485 HydrophobicContact CD1-CD1 4.01Å; Y481-I485 PolarHBondContact O-N 3.12Å; P482-I485 PolarHBondContact O-N 3.43Å; I485-F487 VanDerWaalsContact C-N 3.28Å; I485-F487 PolarHBondContact O-N 3.04Å; I485-Y488 WeakPolarHBondContact O-CB 3.37Å; I485-Y488 PolarHBondContact O-N 3.29Å; I485-V531 HydrophobicContact CG1-CG2 4.42Å; I485-I573 HydrophobicContact CB-CG2 4.17Å; I485-I573 HydrophobicContact CD1-CD1 4.01Å; I485-I573 HydrophobicContact CD1-CG2 3.51Å; I485-I573 HydrophobicContact CG1-CG2 4.43Å; I485-I573 HydrophobicContact CG2-CG2 3.91Å
486	N	88	Confident	90.8	Very high	30 Å²	30	50.9 Å²	50.9	16%	0.16	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-32.9	-180	-66.7	-13.1	0	0	0	112.6	P482 D576 K577 T580	P482-N486 VanDerWaalsContact O-CB 3.28Å; P482-N486 WeakPolarHBondContact O-CB 3.47Å; P482-N486 PolarHBondContact O-N 3.48Å; P482-N486 PolarHBondContact O-ND2 3Å; P482-N486 PolarHBondContact O-OD1 3.16Å; N486-D576 PolarHBondContact ND2-OD2 3.05Å; N486-K577 WeakPolarHBondContact OD1-CA 3.48Å; N486-K577 WeakPolarHBondContact OD1-CB 3.49Å; N486-K577 PolarHBondContact OD1-N 3.07Å; N486-T580 HydrophobicContact CB-CG2 4.22Å; N486-T580 PolarHBondContact ND2-OG1 3.39Å
487	F	88.6	Confident	91.1	Very high	108 Å²	108	53.1 Å²	53.1	47%	0.474	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	1.4	178.9	-67.2	-63.7	0	0	0	113.4	P483 Y484 I485 E489 R490 T491	P483-F487 WeakPolarHBondContact O-CD2 3.4Å; P483-F487 PolarHBondContact O-N 3.26Å; Y484-F487 PolarHBondContact O-N 3.34Å; I485-F487 VanDerWaalsContact C-N 3.28Å; I485-F487 PolarHBondContact O-N 3.04Å; F487-E489 PolarHBondContact O-N 2.92Å; F487-R490 WeakPolarHBondContact O-CB 3.39Å; F487-R490 PolarHBondContact O-N 3.29Å; F487-T491 WeakPolarHBondContact O-CB 3.43Å; F487-T491 PolarHBondContact O-N 3.03Å; F487-T491 PolarHBondContact O-OG1 2.79Å
488	Y	91.2	Very high	91.3	Very high	18 Å²	18	52.8 Å²	52.8	7%	0.071	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-43	-175.2	179.4	-101.5	0	0	0	113.4	Y484 I485 R490 T491 K492 I527 I528 V531	Y484-Y488 HydrophobicContact CE1-CD2 4.27Å; Y484-Y488 PolarHBondContact O-N 3.42Å; Y484-Y488 VanDerWaalsContact O-N 3.11Å; I485-Y488 WeakPolarHBondContact O-CB 3.37Å; I485-Y488 PolarHBondContact O-N 3.29Å; Y488-R490 VanDerWaalsContact C-N 3.33Å; Y488-R490 PolarHBondContact O-N 2.78Å; Y488-T491 WeakPolarHBondContact O-CB 3.37Å; Y488-T491 PolarHBondContact O-N 3.37Å; Y488-T491 VanDerWaalsContact O-N 3.14Å; Y488-K492 PolarHBondContact O-N 3.36Å; Y488-I527 HydrophobicContact CE2-CG1 4.16Å; Y488-I528 HydrophobicContact CD1-CD1 4.46Å; Y488-I528 HydrophobicContact CE1-CD1 3.55Å; Y488-I528 HydrophobicContact CE2-CB 4.45Å; Y488-I528 HydrophobicContact CE2-CD1 4.14Å; Y488-I528 WeakPolarHBondContact OH-CB 3.49Å; Y488-I528 VanDerWaalsContact OH-CD1 3.22Å; Y488-I528 WeakPolarHBondContact OH-CD1 3.38Å; Y488-V531 HydrophobicContact CD1-CG2 4.29Å; Y488-V531 HydrophobicContact CD2-CG2 3.84Å; Y488-V531 HydrophobicContact CE2-CG2 4.21Å; Y488-V531 HydrophobicContact CG-CG2 3.9Å
489	E	88.5	Confident	91.5	Very high	82 Å²	82	52.8 Å²	52.8	38%	0.383	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-42.9	177	-67.2	-53	142.2	0	0	111.5	F487 T491 K492 E493	F487-E489 PolarHBondContact O-N 2.92Å; E489-T491 VanDerWaalsContact C-N 3.29Å; E489-T491 PolarHBondContact O-N 3.12Å; E489-K492 PolarHBondContact O-N 3.18Å; E489-E493 WeakPolarHBondContact O-CG 3.3Å; E489-E493 PolarHBondContact O-N 3.02Å
490	R	89.6	Confident	91.6	Very high	140 Å²	140	55.1 Å²	55.1	53%	0.528	25%	0.249	S	C	.	.	H	α-helix	trans	-63.8	-36.1	174.7	-173.5	175	-176.6	161.8	1.8	112.3	I436 F487 Y488 M494	I436-R490 HydrophobicContact CG2-CG 4.15Å; F487-R490 WeakPolarHBondContact O-CB 3.39Å; F487-R490 PolarHBondContact O-N 3.29Å; Y488-R490 VanDerWaalsContact C-N 3.33Å; Y488-R490 PolarHBondContact O-N 2.78Å; R490-M494 VanDerWaalsContact O-CB 3.27Å; R490-M494 WeakPolarHBondContact O-CB 3.5Å; R490-M494 PolarHBondContact O-N 3.33Å
491	T	92.6	Very high	91.6	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-49.8	175	-56.4	0	0	0	0	110	I436 I437 F487 Y488 E489 M494 L495 I527	I436-T491 PolarHBondContact O-OG1 3.35Å; I437-T491 WeakPolarHBondContact O-CG2 3.25Å; F487-T491 WeakPolarHBondContact O-CB 3.43Å; F487-T491 PolarHBondContact O-N 3.03Å; F487-T491 PolarHBondContact O-OG1 2.79Å; Y488-T491 WeakPolarHBondContact O-CB 3.37Å; Y488-T491 PolarHBondContact O-N 3.37Å; Y488-T491 VanDerWaalsContact O-N 3.14Å; E489-T491 VanDerWaalsContact C-N 3.29Å; E489-T491 PolarHBondContact O-N 3.12Å; T491-M494 PolarHBondContact O-N 3.47Å; T491-L495 WeakPolarHBondContact O-CB 3.42Å; T491-L495 PolarHBondContact O-N 3Å; T491-I527 HydrophobicContact CG2-CD1 4.05Å
492	K	92.3	Very high	91.5	Very high	76 Å²	76	60.1 Å²	60.1	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-44.5	177.7	-178.7	-177.3	175	-171.5	0	112	Y488 E489 N496	Y488-K492 PolarHBondContact O-N 3.36Å; E489-K492 PolarHBondContact O-N 3.18Å; K492-N496 WeakPolarHBondContact O-CB 3.07Å; K492-N496 PolarHBondContact O-N 3.48Å; K492-N496 PolarHBondContact O-ND2 2.75Å
493	E	93.2	Very high	91.4	Very high	133 Å²	133	63 Å²	63	62%	0.621	29%	0.293	S	S	*	.	H	α-helix	trans	-62.2	-46.7	176	-73.6	177.3	177.1	0	0	111.9	E489 N496 F497	E489-E493 WeakPolarHBondContact O-CG 3.3Å; E489-E493 PolarHBondContact O-N 3.02Å; E493-N496 PolarHBondContact O-N 3.39Å; E493-F497 WeakPolarHBondContact O-CB 3.47Å; E493-F497 PolarHBondContact O-N 2.89Å
494	M	93	Very high	91.3	Very high	40 Å²	40	63.5 Å²	63.5	20%	0.197	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-45.5	178.4	-176.7	60	69.2	0	0	111.5	E433 I436 I437 R490 T491 N496 F497 C498	E433-M494 HydrophobicContact CG-SD 3.99Å; I436-M494 HydrophobicContact CB-CG 4.33Å; I436-M494 HydrophobicContact CD1-CE 3.77Å; I436-M494 HydrophobicContact CG2-CB 3.73Å; I436-M494 HydrophobicContact CG2-CE 4.46Å; I436-M494 HydrophobicContact CG2-CG 3.91Å; I437-M494 HydrophobicContact CD1-CG 4.24Å; I437-M494 HydrophobicContact CG1-CB 4.37Å; I437-M494 HydrophobicContact CG1-CG 3.95Å; R490-M494 VanDerWaalsContact O-CB 3.27Å; R490-M494 WeakPolarHBondContact O-CB 3.5Å; R490-M494 PolarHBondContact O-N 3.33Å; T491-M494 PolarHBondContact O-N 3.47Å; M494-N496 PolarHBondContact O-N 2.87Å; M494-F497 PolarHBondContact O-N 2.8Å; M494-C498 WeakPolarHBondContact O-CB 3.29Å; M494-C498 PolarHBondContact O-N 2.9Å; M494-C498 PolarHBondContact O-SG 2.73Å
495	L	94.2	Very high	91.3	Very high	7 Å²	7	63.3 Å²	63.3	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-58.1	-49.4	176.9	178.6	61.7	0	0	0	111.3	I437 T491 F497 C498 D499 F505 L509 L523 Q524 I527	I437-L495 HydrophobicContact CD1-CD1 4.46Å; T491-L495 WeakPolarHBondContact O-CB 3.42Å; T491-L495 PolarHBondContact O-N 3Å; L495-F497 VanDerWaalsContact C-N 3.32Å; L495-F497 PolarHBondContact O-N 2.83Å; L495-C498 PolarHBondContact O-N 2.6Å; L495-D499 VanDerWaalsContact O-CB 3.27Å; L495-D499 WeakPolarHBondContact O-CB 3.34Å; L495-D499 PolarHBondContact O-N 2.8Å; L495-F505 HydrophobicContact CD1-CE1 3.97Å; L495-F505 HydrophobicContact CD1-CZ 3.85Å; L495-L509 HydrophobicContact CD1-CD1 4.11Å; L495-L523 HydrophobicContact CD1-CD2 3.92Å; L495-L523 HydrophobicContact CD2-CB 4.46Å; L495-L523 HydrophobicContact CD2-CD2 4.45Å; L495-L523 HydrophobicContact CD2-CG 4.31Å; L495-Q524 HydrophobicContact CD2-CB 4.02Å; L495-Q524 HydrophobicContact CD2-CG 4.46Å; L495-I527 HydrophobicContact CD2-CD1 3.78Å
496	N	93.9	Very high	91.2	Very high	50 Å²	50	63.5 Å²	63.5	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-36.4	178.4	-79.7	-63.6	0	0	0	112.6	K492 E493 M494 R500 Q524	K492-N496 WeakPolarHBondContact O-CB 3.07Å; K492-N496 PolarHBondContact O-N 3.48Å; K492-N496 PolarHBondContact O-ND2 2.75Å; E493-N496 PolarHBondContact O-N 3.39Å; M494-N496 PolarHBondContact O-N 2.87Å; N496-R500 WeakPolarHBondContact O-CB 3.3Å; N496-R500 VanDerWaalsContact O-CG 3.27Å; N496-R500 WeakPolarHBondContact O-CG 3.46Å; N496-R500 PolarHBondContact O-N 2.7Å; N496-Q524 PolarHBondContact ND2-OE1 3.06Å
497	F	93.6	Very high	91.3	Very high	120 Å²	120	62 Å²	62	53%	0.526	28%	0.281	S	S	.	.	H	α-helix	trans	-66.7	-49.3	176.1	176.8	-98.2	0	0	0	111.5	E493 M494 L495 R500 T501	E493-F497 WeakPolarHBondContact O-CB 3.47Å; E493-F497 PolarHBondContact O-N 2.89Å; M494-F497 PolarHBondContact O-N 2.8Å; L495-F497 VanDerWaalsContact C-N 3.32Å; L495-F497 PolarHBondContact O-N 2.83Å; F497-R500 PolarHBondContact O-N 3Å; F497-T501 HydrophobicContact CD2-CG2 4.08Å; F497-T501 HydrophobicContact CE1-CG2 4.3Å; F497-T501 HydrophobicContact CE2-CG2 3.75Å; F497-T501 HydrophobicContact CG-CG2 4.49Å; F497-T501 HydrophobicContact CZ-CG2 3.87Å; F497-T501 WeakPolarHBondContact O-CB 3.24Å; F497-T501 WeakPolarHBondContact O-CG2 3.42Å; F497-T501 PolarHBondContact O-N 3.47Å; F497-T501 PolarHBondContact O-OG1 3.22Å
498	C	93	Very high	91.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-42	178.4	-65.9	0	0	0	0	111.6	L429 M494 L495 R500 T501 K502 F505	L429-C498 HydrophobicContact CD2-CB 3.79Å; M494-C498 WeakPolarHBondContact O-CB 3.29Å; M494-C498 PolarHBondContact O-N 2.9Å; M494-C498 PolarHBondContact O-SG 2.73Å; L495-C498 PolarHBondContact O-N 2.6Å; C498-R500 VanDerWaalsContact C-N 3.33Å; C498-R500 PolarHBondContact O-N 3.18Å; C498-T501 PolarHBondContact O-N 3.08Å; C498-K502 WeakPolarHBondContact O-CB 3.41Å; C498-K502 PolarHBondContact O-N 2.93Å; C498-F505 HydrophobicContact CB-CD1 3.73Å; C498-F505 HydrophobicContact CB-CE1 3.67Å
499	D	92.7	Very high	91.4	Very high	43 Å²	43	57 Å²	57	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-41.8	178.3	-172.2	41.2	0	0	0	112	L495 H506 L509	L495-D499 VanDerWaalsContact O-CB 3.27Å; L495-D499 WeakPolarHBondContact O-CB 3.34Å; L495-D499 PolarHBondContact O-N 2.8Å; D499-H506 VanDerWaalsContact OD1-CA 3.3Å; D499-H506 WeakPolarHBondContact OD1-CA 3.3Å; D499-H506 WeakPolarHBondContact OD1-CB 3.42Å; D499-H506 IonicContact OD1-CE1 2.84Å; D499-H506 IonicContact OD1-CG 2.7Å; D499-H506 IonicContact OD1-ND1 2.8Å; D499-H506 PolarHBondContact OD1-ND1 2.85Å; D499-H506 IonicContact OD2-ND1 2.71Å; D499-L509 HydrophobicContact CB-CD1 4.26Å
500	R	91	Very high	91.4	Very high	208 Å²	208	55.3 Å²	55.3	79%	0.785	25%	0.252	S	S	*	.	H	α-helix	trans	-75.7	-34.3	178.6	-70.4	175.2	-176.8	-179.5	2.3	114.1	N496 F497 C498	N496-R500 WeakPolarHBondContact O-CB 3.3Å; N496-R500 VanDerWaalsContact O-CG 3.27Å; N496-R500 WeakPolarHBondContact O-CG 3.46Å; N496-R500 PolarHBondContact O-N 2.7Å; F497-R500 PolarHBondContact O-N 3Å; C498-R500 VanDerWaalsContact C-N 3.33Å; C498-R500 PolarHBondContact O-N 3.18Å
501	T	90.9	Very high	91.2	Very high	70 Å²	70	48.6 Å²	48.6	43%	0.429	23%	0.226	S	C	.	.	H	α-helix	trans	-92.8	-22.6	-171.6	55.4	0	0	0	0	113.7	F497 C498 P503	F497-T501 HydrophobicContact CD2-CG2 4.08Å; F497-T501 HydrophobicContact CE1-CG2 4.3Å; F497-T501 HydrophobicContact CE2-CG2 3.75Å; F497-T501 HydrophobicContact CG-CG2 4.49Å; F497-T501 HydrophobicContact CZ-CG2 3.87Å; F497-T501 WeakPolarHBondContact O-CB 3.24Å; F497-T501 WeakPolarHBondContact O-CG2 3.42Å; F497-T501 PolarHBondContact O-N 3.47Å; F497-T501 PolarHBondContact O-OG1 3.22Å; C498-T501 PolarHBondContact O-N 3.08Å; T501-P503 WeakPolarHBondContact O-CD 3.4Å
502	K	90.6	Very high	90.9	Very high	58 Å²	58	49.8 Å²	49.8	25%	0.252	23%	0.23	S	C	.	.			trans	-120.8	95.8	-174	-60.5	-176.1	-173.6	-176.7	0	111.3	L428 L429 E433 C498 R504 F505 H506	L428-K502 WeakPolarHBondContact O-CD 3.11Å; L429-K502 HydrophobicContact CD2-CD 3.89Å; E433-K502 WeakPolarHBondContact OE1-CE 3.49Å; E433-K502 IonicContact OE1-NZ 3.15Å; E433-K502 PolarHBondContact OE1-NZ 3.41Å; E433-K502 IonicContact OE2-NZ 2.75Å; E433-K502 PolarHBondContact OE2-NZ 2.89Å; C498-K502 WeakPolarHBondContact O-CB 3.41Å; C498-K502 PolarHBondContact O-N 2.93Å; K502-R504 VanDerWaalsContact C-N 3.32Å; K502-R504 PolarHBondContact O-N 2.97Å; K502-F505 HydrophobicContact CB-CB 3.84Å; K502-F505 WeakPolarHBondContact O-CA 3.1Å; K502-F505 WeakPolarHBondContact O-CB 3.31Å; K502-F505 PolarHBondContact O-N 2.94Å; K502-H506 PolarHBondContact O-N 3.37Å
503	P	88.1	Confident	90.5	Very high	66 Å²	66	48 Å²	48	43%	0.429	22%	0.223	S	C	.	.	H	α-helix	trans	-57.9	-36.7	-176.7	-27.2	34.6	0	0	0	114.9	L248 T501 F505 H506 A507	L248-P503 HydrophobicContact CD2-CB 4.43Å; T501-P503 WeakPolarHBondContact O-CD 3.4Å; P503-F505 VanDerWaalsContact C-N 3.31Å; P503-F505 PolarHBondContact O-N 3.36Å; P503-H506 WeakPolarHBondContact O-CB 3.47Å; P503-H506 PolarHBondContact O-N 3.31Å; P503-A507 WeakPolarHBondContact O-CB 3.43Å; P503-A507 PolarHBondContact O-N 2.77Å
504	R	88.4	Confident	89.7	Confident	57 Å²	57	43.4 Å²	43.4	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-32.8	176.1	-66.8	-179.9	65.4	-172.8	1.5	112.3	Q298 T423 D426 L428 K502 F508	Q298-R504 PolarHBondContact O-NE 3.38Å; Q298-R504 PolarHBondContact O-NH2 3.2Å; T423-R504 PolarHBondContact O-NH2 3Å; D426-R504 IonicContact OD2-NH1 3.68Å; L428-R504 HydrophobicContact CD2-CB 3.67Å; K502-R504 VanDerWaalsContact C-N 3.32Å; K502-R504 PolarHBondContact O-N 2.97Å; R504-F508 WeakPolarHBondContact O-CB 3.38Å; R504-F508 PolarHBondContact O-N 2.94Å
505	F	91.4	Very high	88.9	Confident	1 Å²	1	45 Å²	45	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-73.4	-41.6	174.6	177.9	-112.9	0	0	0	111.4	L417 L429 I437 L495 C498 K502 P503 A507 F508 L509	L417-F505 HydrophobicContact CD1-CE2 3.95Å; L417-F505 HydrophobicContact CD2-CD2 3.9Å; L417-F505 HydrophobicContact CD2-CE2 3.9Å; L429-F505 HydrophobicContact CD1-CD2 3.92Å; L429-F505 HydrophobicContact CD1-CE1 4.46Å; L429-F505 HydrophobicContact CD1-CE2 3.5Å; L429-F505 VanDerWaalsContact CD1-CE2 3.5Å; L429-F505 HydrophobicContact CD1-CZ 3.79Å; L429-F505 HydrophobicContact CD2-CB 4.45Å; L429-F505 HydrophobicContact CD2-CD1 4.19Å; L429-F505 HydrophobicContact CD2-CD2 4.02Å; L429-F505 HydrophobicContact CD2-CE1 4.47Å; L429-F505 HydrophobicContact CD2-CE2 4.33Å; L429-F505 HydrophobicContact CD2-CG 3.95Å; L429-F505 HydrophobicContact CG-CD2 3.84Å; L429-F505 HydrophobicContact CG-CE2 3.97Å; L429-F505 HydrophobicContact CG-CG 4.29Å; L429-F505 HydrophobicContact CG-CZ 4.5Å; I437-F505 HydrophobicContact CD1-CZ 4.5Å; L495-F505 HydrophobicContact CD1-CE1 3.97Å; L495-F505 HydrophobicContact CD1-CZ 3.85Å; C498-F505 HydrophobicContact CB-CD1 3.73Å; C498-F505 HydrophobicContact CB-CE1 3.67Å; K502-F505 HydrophobicContact CB-CB 3.84Å; K502-F505 WeakPolarHBondContact O-CA 3.1Å; K502-F505 WeakPolarHBondContact O-CB 3.31Å; K502-F505 PolarHBondContact O-N 2.94Å; P503-F505 VanDerWaalsContact C-N 3.31Å; P503-F505 PolarHBondContact O-N 3.36Å; F505-A507 VanDerWaalsContact C-N 3.29Å; F505-A507 PolarHBondContact O-N 2.99Å; F505-F508 HydrophobicContact CD2-CD1 4.33Å; F505-F508 HydrophobicContact CE2-CD1 4.3Å; F505-F508 WeakPolarHBondContact O-CB 3.38Å; F505-F508 PolarHBondContact O-N 3.47Å; F505-F508 VanDerWaalsContact O-N 3.13Å; F505-L509 HydrophobicContact CD1-CD1 4.24Å; F505-L509 HydrophobicContact CE1-CD1 3.66Å; F505-L509 HydrophobicContact CE1-CG 4.17Å; F505-L509 HydrophobicContact CE2-CD2 4.1Å; F505-L509 HydrophobicContact CE2-CG 4.19Å; F505-L509 HydrophobicContact CZ-CD1 3.83Å; F505-L509 HydrophobicContact CZ-CD2 3.91Å; F505-L509 HydrophobicContact CZ-CG 3.95Å; F505-L509 WeakPolarHBondContact O-CG 3.47Å; F505-L509 PolarHBondContact O-N 3.47Å
506	H	91.5	Very high	87.9	Confident	21 Å²	21	49.8 Å²	49.8	10%	0.097	24%	0.238	C	C	.	.	H	α-helix	trans	-55	-47.3	170.2	-179	69.5	0	0	0	111.8	H244 W294 D499 K502 P503 F508 L509 K510	H244-H506 AromaticContact CE1-CD2 3.68Å; H244-H506 AromaticContact CE1-CE1 3.99Å; H244-H506 AromaticContact CE1-NE2 3.31Å; H244-H506 PolarHBondContact CE1-NE2 3.38Å; H244-H506 VanDerWaalsContact CE1-NE2 3.31Å; H244-H506 AromaticContact ND1-NE2 3.75Å; W294-H506 AromaticContact CH2-CD2 3.92Å; W294-H506 AromaticContact CH2-NE2 3.7Å; W294-H506 AromaticContact CZ3-CD2 3.65Å; W294-H506 AromaticContact CZ3-NE2 3.93Å; D499-H506 VanDerWaalsContact OD1-CA 3.3Å; D499-H506 WeakPolarHBondContact OD1-CA 3.3Å; D499-H506 WeakPolarHBondContact OD1-CB 3.42Å; D499-H506 IonicContact OD1-CE1 2.84Å; D499-H506 IonicContact OD1-CG 2.7Å; D499-H506 IonicContact OD1-ND1 2.8Å; D499-H506 PolarHBondContact OD1-ND1 2.85Å; D499-H506 IonicContact OD2-ND1 2.71Å; K502-H506 PolarHBondContact O-N 3.37Å; P503-H506 WeakPolarHBondContact O-CB 3.47Å; P503-H506 PolarHBondContact O-N 3.31Å; H506-F508 VanDerWaalsContact C-N 3.33Å; H506-F508 PolarHBondContact O-N 2.96Å; H506-L509 PolarHBondContact O-N 3.39Å; H506-K510 PolarHBondContact O-N 2.92Å
507	A	89	Confident	86.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-39.3	176.7	0	0	0	0	0	112.4	W294 I297 Q298 P503 F505 K510 A511	W294-A507 HydrophobicContact CE3-CB 3.87Å; W294-A507 WeakPolarHBondContact O-CB 3.48Å; I297-A507 HydrophobicContact CB-CB 3.76Å; I297-A507 HydrophobicContact CG2-CB 3.61Å; Q298-A507 HydrophobicContact CB-CB 4.33Å; P503-A507 WeakPolarHBondContact O-CB 3.43Å; P503-A507 PolarHBondContact O-N 2.77Å; F505-A507 VanDerWaalsContact C-N 3.29Å; F505-A507 PolarHBondContact O-N 2.99Å; A507-K510 PolarHBondContact O-N 3.39Å; A507-A511 VanDerWaalsContact O-CB 3.25Å; A507-A511 WeakPolarHBondContact O-CB 3.29Å; A507-A511 PolarHBondContact O-N 3.17Å
508	F	90.9	Very high	85.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.8	-48.5	172.4	172.1	-92	0	0	0	112.3	Q298 Y413 P416 L417 L428 R504 F505 H506 K510 A511 R512	Q298-F508 HydrophobicContact CG-CB 4.07Å; Q298-F508 HydrophobicContact CG-CD2 4.37Å; Y413-F508 AromaticContact CD1-CE1 3.95Å; Y413-F508 HydrophobicContact CD1-CE1 3.95Å; P416-F508 HydrophobicContact CB-CE2 3.84Å; P416-F508 HydrophobicContact CB-CZ 3.96Å; L417-F508 HydrophobicContact CD1-CE1 3.81Å; L417-F508 HydrophobicContact CD1-CZ 4.34Å; L417-F508 HydrophobicContact CD2-CD1 3.89Å; L417-F508 HydrophobicContact CD2-CE1 3.75Å; L417-F508 HydrophobicContact CD2-CE2 4.46Å; L417-F508 HydrophobicContact CD2-CG 4.33Å; L417-F508 HydrophobicContact CD2-CZ 4.06Å; L417-F508 HydrophobicContact CG-CD1 4.3Å; L417-F508 HydrophobicContact CG-CE1 3.64Å; L417-F508 HydrophobicContact CG-CZ 3.76Å; L428-F508 HydrophobicContact CD1-CB 3.6Å; L428-F508 HydrophobicContact CD1-CD2 3.92Å; L428-F508 HydrophobicContact CD1-CG 3.83Å; R504-F508 WeakPolarHBondContact O-CB 3.38Å; R504-F508 PolarHBondContact O-N 2.94Å; F505-F508 HydrophobicContact CD2-CD1 4.33Å; F505-F508 HydrophobicContact CE2-CD1 4.3Å; F505-F508 WeakPolarHBondContact O-CB 3.38Å; F505-F508 PolarHBondContact O-N 3.47Å; F505-F508 VanDerWaalsContact O-N 3.13Å; H506-F508 VanDerWaalsContact C-N 3.33Å; H506-F508 PolarHBondContact O-N 2.96Å; F508-K510 PolarHBondContact O-N 3.43Å; F508-A511 PolarHBondContact O-N 3.13Å; F508-R512 HydrophobicContact CE1-CG 4.38Å; F508-R512 HydrophobicContact CE2-CG 4.25Å; F508-R512 HydrophobicContact CZ-CG 4.14Å; F508-R512 WeakPolarHBondContact O-CG 3.35Å; F508-R512 PolarHBondContact O-N 3.19Å; F508-R512 VanDerWaalsContact O-N 3.07Å
509	L	91.5	Very high	84.6	Confident	20 Å²	20	51.4 Å²	51.4	11%	0.105	25%	0.25	C	C	.	.	H	α-helix	trans	-59.9	-46.6	178.7	-67.4	179.8	0	0	0	111.4	Y413 L495 D499 F505 H506 R512 Q513 L523	Y413-L509 HydrophobicContact CD1-CD2 3.92Å; Y413-L509 HydrophobicContact CE1-CD2 3.95Å; L495-L509 HydrophobicContact CD1-CD1 4.11Å; D499-L509 HydrophobicContact CB-CD1 4.26Å; F505-L509 HydrophobicContact CD1-CD1 4.24Å; F505-L509 HydrophobicContact CE1-CD1 3.66Å; F505-L509 HydrophobicContact CE1-CG 4.17Å; F505-L509 HydrophobicContact CE2-CD2 4.1Å; F505-L509 HydrophobicContact CE2-CG 4.19Å; F505-L509 HydrophobicContact CZ-CD1 3.83Å; F505-L509 HydrophobicContact CZ-CD2 3.91Å; F505-L509 HydrophobicContact CZ-CG 3.95Å; F505-L509 WeakPolarHBondContact O-CG 3.47Å; F505-L509 PolarHBondContact O-N 3.47Å; H506-L509 PolarHBondContact O-N 3.39Å; L509-R512 PolarHBondContact O-N 3.11Å; L509-Q513 WeakPolarHBondContact O-CB 3.45Å; L509-Q513 PolarHBondContact O-N 2.96Å; L509-L523 HydrophobicContact CD2-CB 4.06Å; L509-L523 HydrophobicContact CD2-CD2 3.71Å
510	K	88.6	Confident	83.8	Confident	46 Å²	46	55.9 Å²	55.9	20%	0.2	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-39.5	178.7	-75.2	-72.3	-173.1	165.8	0	113.1	E241 W294 H506 A507 F508 R512 Q513 N514	E241-K510 IonicContact OE1-NZ 3.44Å; E241-K510 PolarHBondContact OE1-NZ 2.7Å; W294-K510 HydrophobicContact CB-CB 4.32Å; W294-K510 HydrophobicContact CD2-CB 3.49Å; W294-K510 VanDerWaalsContact CD2-CB 3.49Å; W294-K510 HydrophobicContact CD2-CG 4.15Å; W294-K510 HydrophobicContact CE3-CB 4Å; W294-K510 HydrophobicContact CE3-CG 4.41Å; W294-K510 HydrophobicContact CG-CB 3.63Å; W294-K510 HydrophobicContact CH2-CG 4.23Å; W294-K510 HydrophobicContact CZ2-CB 4.19Å; W294-K510 HydrophobicContact CZ2-CD 4.31Å; W294-K510 HydrophobicContact CZ2-CG 3.99Å; W294-K510 HydrophobicContact CZ3-CG 4.43Å; H506-K510 PolarHBondContact O-N 2.92Å; A507-K510 PolarHBondContact O-N 3.39Å; F508-K510 PolarHBondContact O-N 3.43Å; K510-R512 VanDerWaalsContact C-N 3.32Å; K510-R512 PolarHBondContact O-N 3.21Å; K510-Q513 PolarHBondContact O-N 3.33Å; K510-N514 PolarHBondContact O-N 2.91Å; K510-N514 VanDerWaalsContact O-N 3.16Å; K510-N514 PolarHBondContact O-ND2 3Å
511	A	84.6	Confident	83.4	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-44.4	175	0	0	0	0	0	111.1	W294 V295 A507 F508 N514	W294-A511 HydrophobicContact CB-CB 3.83Å; V295-A511 HydrophobicContact CG2-CB 3.83Å; A507-A511 VanDerWaalsContact O-CB 3.25Å; A507-A511 WeakPolarHBondContact O-CB 3.29Å; A507-A511 PolarHBondContact O-N 3.17Å; F508-A511 PolarHBondContact O-N 3.13Å; A511-N514 PolarHBondContact O-N 2.99Å
512	R	86.1	Confident	83.3	Confident	30 Å²	30	47 Å²	47	11%	0.113	23%	0.229	C	C	.	.	H	α-helix	trans	-71.8	-38.5	178.8	-63.4	-56.6	-177.7	-144.8	1.4	113.3	L412 Y413 F508 L509 K510 N514 R515 S518	L412-R512 PolarHBondContact O-NE 2.88Å; Y413-R512 HydrophobicContact CD1-CB 4.38Å; Y413-R512 HydrophobicContact CE1-CB 3.71Å; Y413-R512 HydrophobicContact CE1-CG 4.38Å; F508-R512 HydrophobicContact CE1-CG 4.38Å; F508-R512 HydrophobicContact CE2-CG 4.25Å; F508-R512 HydrophobicContact CZ-CG 4.14Å; F508-R512 WeakPolarHBondContact O-CG 3.35Å; F508-R512 PolarHBondContact O-N 3.19Å; F508-R512 VanDerWaalsContact O-N 3.07Å; L509-R512 PolarHBondContact O-N 3.11Å; K510-R512 VanDerWaalsContact C-N 3.32Å; K510-R512 PolarHBondContact O-N 3.21Å; R512-N514 PolarHBondContact O-N 3.49Å; R512-R515 WeakPolarHBondContact O-CB 3.45Å; R512-R515 PolarHBondContact O-N 3.38Å; R512-R515 VanDerWaalsContact O-N 3.1Å; R512-S518 PolarHBondContact O-OG 2.97Å
513	Q	85.3	Confident	83.3	Confident	37 Å²	37	44.5 Å²	44.5	17%	0.173	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-27.4	175.7	-173.8	179.5	6.1	0	0	113	L509 K510 R515 S518 R520	L509-Q513 WeakPolarHBondContact O-CB 3.45Å; L509-Q513 PolarHBondContact O-N 2.96Å; K510-Q513 PolarHBondContact O-N 3.33Å; Q513-R515 VanDerWaalsContact C-N 3.28Å; Q513-R515 PolarHBondContact O-N 3.37Å; Q513-S518 VanDerWaalsContact C-OG 3.31Å; Q513-S518 WeakPolarHBondContact CA-OG 3.32Å; Q513-S518 PolarHBondContact O-OG 2.69Å; Q513-R520 PolarHBondContact NE2-O 3.32Å
514	N	74.9	Confident	83.5	Confident	37 Å²	37	44 Å²	44	20%	0.198	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.8	177.5	-74.9	-39.7	0	0	0	113.7	P269 E291 K510 A511 R512	P269-N514 HydrophobicContact CG-CB 4.42Å; E291-N514 HydrophobicContact CB-CB 4.38Å; K510-N514 PolarHBondContact O-N 2.91Å; K510-N514 VanDerWaalsContact O-N 3.16Å; K510-N514 PolarHBondContact O-ND2 3Å; A511-N514 PolarHBondContact O-N 2.99Å; R512-N514 PolarHBondContact O-N 3.49Å
515	R	76.8	Confident	83.5	Confident	74 Å²	74	44.6 Å²	44.6	28%	0.279	22%	0.218	S	C	.	.	S	Bend	trans	-80.2	144.6	177.2	-57.7	-178.5	63.4	115.2	-7.1	111.2	E291 R512 Q513 E517 S518	E291-R515 IonicContact OE1-NH1 3.03Å; R512-R515 WeakPolarHBondContact O-CB 3.45Å; R512-R515 PolarHBondContact O-N 3.38Å; R512-R515 VanDerWaalsContact O-N 3.1Å; Q513-R515 VanDerWaalsContact C-N 3.28Å; Q513-R515 PolarHBondContact O-N 3.37Å; R515-E517 WeakPolarHBondContact CB-OE2 3.5Å; R515-E517 IonicContact CZ-OE1 2.7Å; R515-E517 IonicContact NE-OE1 3.44Å; R515-E517 IonicContact NE-OE2 3.32Å; R515-E517 PolarHBondContact NE-OE2 3.31Å; R515-E517 IonicContact NH2-OE1 2.71Å; R515-E517 PolarHBondContact NH2-OE1 3.27Å; R515-E517 VanDerWaalsContact NH2-OE1 3.14Å; R515-E517 PolarHBondContact O-N 3.48Å; R515-S518 PolarHBondContact O-N 3.47Å; R515-S518 VanDerWaalsContact O-N 3.17Å; R515-S518 PolarHBondContact O-OG 2.82Å
516	P	72.3	Confident	83.5	Confident	107 Å²	107	44.7 Å²	44.7	70%	0.695	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-61	-28.9	-175.2	25.2	-35	0	0	0	113.2	S518 N519	P516-S518 PolarHBondContact O-N 2.91Å; P516-N519 PolarHBondContact O-N 3.24Å
517	E	72.8	Confident	83.5	Confident	85 Å²	85	43.8 Å²	43.8	40%	0.397	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-66.8	-21.7	-178.5	-52.3	96.1	149.7	0	0	113.2	L412 R515	L412-E517 HydrophobicContact CD1-CB 3.85Å; R515-E517 WeakPolarHBondContact CB-OE2 3.5Å; R515-E517 IonicContact CZ-OE1 2.7Å; R515-E517 IonicContact NE-OE1 3.44Å; R515-E517 IonicContact NE-OE2 3.32Å; R515-E517 PolarHBondContact NE-OE2 3.31Å; R515-E517 IonicContact NH2-OE1 2.71Å; R515-E517 PolarHBondContact NH2-OE1 3.27Å; R515-E517 VanDerWaalsContact NH2-OE1 3.14Å; R515-E517 PolarHBondContact O-N 3.48Å
518	S	66.8	Low	83.6	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.021	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-84.2	-7.1	-179.6	69.6	0	0	0	0	114.1	R512 Q513 R515 P516 R520 E521	R512-S518 PolarHBondContact O-OG 2.97Å; Q513-S518 VanDerWaalsContact C-OG 3.31Å; Q513-S518 WeakPolarHBondContact CA-OG 3.32Å; Q513-S518 PolarHBondContact O-OG 2.69Å; R515-S518 PolarHBondContact O-N 3.47Å; R515-S518 VanDerWaalsContact O-N 3.17Å; R515-S518 PolarHBondContact O-OG 2.82Å; P516-S518 PolarHBondContact O-N 2.91Å; S518-R520 PolarHBondContact O-N 3.23Å; S518-R520 PolarHBondContact OG-N 3.26Å; S518-E521 PolarHBondContact O-N 2.84Å
519	N	73.3	Confident	83.6	Confident	116 Å²	116	46.7 Å²	46.7	62%	0.62	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	24	-171.7	-66.9	-36.2	0	0	0	114.3	P516 E521	P516-N519 PolarHBondContact O-N 3.24Å; N519-E521 HydrophobicContact CB-CG 4.33Å; N519-E521 PolarHBondContact O-N 3.17Å
520	R	75.6	Confident	83.6	Confident	137 Å²	137	45.8 Å²	45.8	52%	0.517	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	12.4	-174.9	-53.3	-179.1	176.8	-168.2	-2.8	115	P269 Q513 S518	P269-R520 VanDerWaalsContact C-NH2 3.34Å; P269-R520 PolarHBondContact O-NH2 3.2Å; P269-R520 VanDerWaalsContact O-NH2 3.12Å; Q513-R520 PolarHBondContact NE2-O 3.32Å; S518-R520 PolarHBondContact O-N 3.23Å; S518-R520 PolarHBondContact OG-N 3.26Å
521	E	82.2	Confident	83.7	Confident	44 Å²	44	44.5 Å²	44.5	21%	0.206	22%	0.219	C	C	.	.			trans	-75.6	140.1	175.1	-57.4	-158.6	108.7	0	0	109.7	S518 N519 D525 L526 R529	S518-E521 PolarHBondContact O-N 2.84Å; N519-E521 HydrophobicContact CB-CG 4.33Å; N519-E521 PolarHBondContact O-N 3.17Å; E521-D525 HydrophobicContact CB-CB 4.12Å; E521-L526 HydrophobicContact CB-CD2 3.89Å; E521-L526 HydrophobicContact CB-CG 4.09Å; E521-L526 WeakPolarHBondContact OE2-CD2 3.39Å; E521-R529 IonicContact OE1-CZ 3.81Å; E521-R529 IonicContact OE1-NH2 2.93Å; E521-R529 PolarHBondContact OE1-NH2 2.93Å; E521-R529 IonicContact OE2-CZ 2.68Å; E521-R529 IonicContact OE2-NE 3.35Å; E521-R529 IonicContact OE2-NH2 3.48Å; E521-R529 PolarHBondContact OE2-NH2 2.72Å
522	T	88.4	Confident	83.9	Confident	47 Å²	47	45.4 Å²	45.4	29%	0.288	22%	0.223	S	C	.	.			trans	-70.4	158	174.4	69.7	0	0	0	0	109.5	Q524 D525 L526	T522-Q524 PolarHBondContact O-N 3.28Å; T522-Q524 VanDerWaalsContact O-N 3.13Å; T522-Q524 PolarHBondContact OG1-N 3.26Å; T522-D525 WeakPolarHBondContact CB-OD2 3.32Å; T522-D525 WeakPolarHBondContact CG2-OD2 3.5Å; T522-D525 PolarHBondContact N-OD2 3.34Å; T522-D525 WeakPolarHBondContact O-CB 3.18Å; T522-D525 PolarHBondContact O-N 3.14Å; T522-D525 PolarHBondContact OG1-N 3.02Å; T522-D525 PolarHBondContact OG1-OD2 2.9Å; T522-L526 PolarHBondContact O-N 2.55Å; T522-L526 VanDerWaalsContact O-N 3.09Å
523	L	91.5	Very high	84.1	Confident	7 Å²	7	44.3 Å²	44.3	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-55.2	-34.3	173.1	179.9	59.5	0	0	0	111.1	I409 Y413 I437 F438 L495 L509 D525 L526 I527	I409-L523 HydrophobicContact CG2-CD1 4Å; Y413-L523 HydrophobicContact CD1-CB 4.29Å; Y413-L523 HydrophobicContact CD1-CD1 4.05Å; Y413-L523 HydrophobicContact CD1-CD2 3.97Å; Y413-L523 HydrophobicContact CD1-CG 4.33Å; Y413-L523 HydrophobicContact CD2-CD1 4.03Å; Y413-L523 HydrophobicContact CE1-CB 4.03Å; Y413-L523 HydrophobicContact CE1-CD1 4.39Å; Y413-L523 HydrophobicContact CE2-CD1 4.36Å; Y413-L523 HydrophobicContact CG-CD1 3.85Å; Y413-L523 HydrophobicContact CG-CD2 4.36Å; I437-L523 HydrophobicContact CG2-CD2 4.48Å; F438-L523 HydrophobicContact CE1-CD1 4.4Å; F438-L523 HydrophobicContact CE1-CD2 4.48Å; F438-L523 HydrophobicContact CZ-CD2 4.32Å; L495-L523 HydrophobicContact CD1-CD2 3.92Å; L495-L523 HydrophobicContact CD2-CB 4.46Å; L495-L523 HydrophobicContact CD2-CD2 4.45Å; L495-L523 HydrophobicContact CD2-CG 4.31Å; L509-L523 HydrophobicContact CD2-CB 4.06Å; L509-L523 HydrophobicContact CD2-CD2 3.71Å; L523-D525 VanDerWaalsContact C-N 3.34Å; L523-D525 PolarHBondContact O-N 3.13Å; L523-L526 PolarHBondContact O-N 2.87Å; L523-I527 HydrophobicContact CD1-CG2 3.85Å; L523-I527 HydrophobicContact CG-CG2 4.2Å; L523-I527 WeakPolarHBondContact O-CG1 3.38Å; L523-I527 WeakPolarHBondContact O-CG2 3.42Å; L523-I527 PolarHBondContact O-N 3.38Å
524	Q	91	Very high	84.3	Confident	55 Å²	55	42.7 Å²	42.7	26%	0.257	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-38.5	175.8	-162	179	-72.4	0	0	112.4	L495 N496 T522 L526 I527 I528	L495-Q524 HydrophobicContact CD2-CB 4.02Å; L495-Q524 HydrophobicContact CD2-CG 4.46Å; N496-Q524 PolarHBondContact ND2-OE1 3.06Å; T522-Q524 PolarHBondContact O-N 3.28Å; T522-Q524 VanDerWaalsContact O-N 3.13Å; T522-Q524 PolarHBondContact OG1-N 3.26Å; Q524-L526 VanDerWaalsContact C-N 3.31Å; Q524-I527 WeakPolarHBondContact O-CG1 3.28Å; Q524-I528 PolarHBondContact O-N 3.04Å
525	D	89.1	Confident	85	Confident	69 Å²	69	42.6 Å²	42.6	37%	0.369	21%	0.213	S	C	.	.	H	α-helix	trans	-71.8	-25.8	177.1	-55.7	-40.8	0	0	0	112.3	E521 T522 L523 I528	E521-D525 HydrophobicContact CB-CB 4.12Å; T522-D525 WeakPolarHBondContact CB-OD2 3.32Å; T522-D525 WeakPolarHBondContact CG2-OD2 3.5Å; T522-D525 PolarHBondContact N-OD2 3.34Å; T522-D525 WeakPolarHBondContact O-CB 3.18Å; T522-D525 PolarHBondContact O-N 3.14Å; T522-D525 PolarHBondContact OG1-N 3.02Å; T522-D525 PolarHBondContact OG1-OD2 2.9Å; L523-D525 VanDerWaalsContact C-N 3.34Å; L523-D525 PolarHBondContact O-N 3.13Å; D525-I528 WeakPolarHBondContact O-CG2 3.35Å
526	L	90.8	Very high	85.4	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-81.6	-42	175.7	-62.5	175.6	0	0	0	112.1	V405 I409 Y413 E521 T522 L523 Q524 I528 R529	V405-L526 HydrophobicContact CG1-CD2 4.01Å; I409-L526 HydrophobicContact CD1-CB 3.77Å; I409-L526 HydrophobicContact CG1-CB 3.74Å; I409-L526 HydrophobicContact CG1-CD1 4.18Å; Y413-L526 HydrophobicContact CE2-CD1 3.98Å; E521-L526 HydrophobicContact CB-CD2 3.89Å; E521-L526 HydrophobicContact CB-CG 4.09Å; E521-L526 WeakPolarHBondContact OE2-CD2 3.39Å; T522-L526 PolarHBondContact O-N 2.55Å; T522-L526 VanDerWaalsContact O-N 3.09Å; L523-L526 PolarHBondContact O-N 2.87Å; Q524-L526 VanDerWaalsContact C-N 3.31Å; L526-I528 VanDerWaalsContact C-N 3.28Å; L526-I528 PolarHBondContact O-N 2.79Å; L526-R529 WeakPolarHBondContact O-CB 3.49Å; L526-R529 WeakPolarHBondContact O-CG 3.35Å; L526-R529 PolarHBondContact O-N 3.03Å
527	I	92.3	Very high	86.1	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-73.5	-15.5	-178.2	64.7	-180	0	0	0	113.6	Y484 Y488 T491 L495 L523 Q524 R529 P530	Y484-I527 WeakPolarHBondContact OH-CB 3.27Å; Y484-I527 PolarHBondContact OH-O 3Å; Y488-I527 HydrophobicContact CE2-CG1 4.16Å; T491-I527 HydrophobicContact CG2-CD1 4.05Å; L495-I527 HydrophobicContact CD2-CD1 3.78Å; L523-I527 HydrophobicContact CD1-CG2 3.85Å; L523-I527 HydrophobicContact CG-CG2 4.2Å; L523-I527 WeakPolarHBondContact O-CG1 3.38Å; L523-I527 WeakPolarHBondContact O-CG2 3.42Å; L523-I527 PolarHBondContact O-N 3.38Å; Q524-I527 WeakPolarHBondContact O-CG1 3.28Å; I527-R529 VanDerWaalsContact C-N 3.28Å; I527-P530 VanDerWaalsContact O-CD 3.27Å; I527-P530 WeakPolarHBondContact O-CD 3.43Å
528	I	91.3	Very high	86.7	Confident	33 Å²	33	32.3 Å²	32.3	17%	0.169	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.5	171.6	-172.5	64	0	0	0	112	Y488 Q524 D525 L526 V531 Q532	Y488-I528 HydrophobicContact CD1-CD1 4.46Å; Y488-I528 HydrophobicContact CE1-CD1 3.55Å; Y488-I528 HydrophobicContact CE2-CB 4.45Å; Y488-I528 HydrophobicContact CE2-CD1 4.14Å; Y488-I528 WeakPolarHBondContact OH-CB 3.49Å; Y488-I528 VanDerWaalsContact OH-CD1 3.22Å; Y488-I528 WeakPolarHBondContact OH-CD1 3.38Å; Q524-I528 PolarHBondContact O-N 3.04Å; D525-I528 WeakPolarHBondContact O-CG2 3.35Å; L526-I528 VanDerWaalsContact C-N 3.28Å; L526-I528 PolarHBondContact O-N 2.79Å; I528-V531 HydrophobicContact CD1-CB 3.92Å; I528-V531 HydrophobicContact CD1-CG1 4.29Å; I528-V531 HydrophobicContact CD1-CG2 4.08Å; I528-V531 WeakPolarHBondContact O-CB 3.02Å; I528-V531 PolarHBondContact O-N 3.05Å; I528-Q532 HydrophobicContact CG1-CG 4.07Å; I528-Q532 PolarHBondContact O-N 2.92Å
529	R	90.2	Very high	87.5	Confident	29 Å²	29	37.5 Å²	37.5	11%	0.109	19%	0.189	C	C	.	.	H	α-helix	trans	-53.7	-43.4	-174.3	-60	-77.3	-166.6	-148.8	10.8	114.2	H367 Y402 V405 E521 L526 I527 V531 Q532 R533	H367-R529 PolarHBondContact O-NH1 3.02Å; Y402-R529 HydrophobicContact CE2-CB 4Å; V405-R529 HydrophobicContact CG1-CG 4.09Å; E521-R529 IonicContact OE1-CZ 3.81Å; E521-R529 IonicContact OE1-NH2 2.93Å; E521-R529 PolarHBondContact OE1-NH2 2.93Å; E521-R529 IonicContact OE2-CZ 2.68Å; E521-R529 IonicContact OE2-NE 3.35Å; E521-R529 IonicContact OE2-NH2 3.48Å; E521-R529 PolarHBondContact OE2-NH2 2.72Å; L526-R529 WeakPolarHBondContact O-CB 3.49Å; L526-R529 WeakPolarHBondContact O-CG 3.35Å; L526-R529 PolarHBondContact O-N 3.03Å; I527-R529 VanDerWaalsContact C-N 3.28Å; R529-V531 PolarHBondContact O-N 2.74Å; R529-Q532 CarbonylContact O-C 3.6Å; R529-Q532 PolarHBondContact O-N 3.08Å; R529-R533 PolarHBondContact O-N 2.9Å
530	P	91.4	Very high	87.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-38.8	176.8	-19.8	32.9	0	0	0	113.4	Y402 L406 L441 I444 Y481 Y484 I527 Q532 R533	Y402-P530 WeakPolarHBondContact OH-CA 3.46Å; Y402-P530 VanDerWaalsContact OH-CB 3.28Å; Y402-P530 WeakPolarHBondContact OH-CB 3.26Å; Y402-P530 WeakPolarHBondContact OH-CG 3.34Å; L406-P530 HydrophobicContact CD2-CG 4.12Å; L441-P530 HydrophobicContact CD1-CG 3.67Å; I444-P530 HydrophobicContact CD1-CB 4.16Å; Y481-P530 HydrophobicContact CE1-CB 4.23Å; Y481-P530 WeakPolarHBondContact CE1-O 3.15Å; Y484-P530 HydrophobicContact CD1-CB 3.97Å; Y484-P530 HydrophobicContact CD1-CG 4.44Å; Y484-P530 HydrophobicContact CE1-CB 3.65Å; Y484-P530 HydrophobicContact CE1-CG 3.71Å; I527-P530 VanDerWaalsContact O-CD 3.27Å; I527-P530 WeakPolarHBondContact O-CD 3.43Å; P530-Q532 PolarHBondContact O-N 3.19Å; P530-R533 PolarHBondContact O-N 3.1Å
531	V	90.5	Very high	88.1	Confident	20 Å²	20	26.9 Å²	26.9	12%	0.121	14%	0.142	C	C	.	.	H	α-helix	trans	-58.8	-35.8	176.3	-175	0	0	0	0	110.6	Y484 I485 Y488 I528 R529	Y484-V531 HydrophobicContact CD1-CG2 4.48Å; Y484-V531 HydrophobicContact CE1-CG2 4.15Å; I485-V531 HydrophobicContact CG1-CG2 4.42Å; Y488-V531 HydrophobicContact CD1-CG2 4.29Å; Y488-V531 HydrophobicContact CD2-CG2 3.84Å; Y488-V531 HydrophobicContact CE2-CG2 4.21Å; Y488-V531 HydrophobicContact CG-CG2 3.9Å; I528-V531 HydrophobicContact CD1-CB 3.92Å; I528-V531 HydrophobicContact CD1-CG1 4.29Å; I528-V531 HydrophobicContact CD1-CG2 4.08Å; I528-V531 WeakPolarHBondContact O-CB 3.02Å; I528-V531 PolarHBondContact O-N 3.05Å; R529-V531 PolarHBondContact O-N 2.74Å
532	Q	89	Confident	87.9	Confident	18 Å²	18	27.1 Å²	27.1	8%	0.084	15%	0.149	C	C	.	.	H	α-helix	trans	-86.6	-23.5	-176.5	-75.6	175.3	-26.2	0	0	114.7	T364 I368 I528 R529 P530 L534 P535 S536	T364-Q532 PolarHBondContact O-NE2 3.31Å; I368-Q532 HydrophobicContact CD1-CB 3.43Å; I368-Q532 VanDerWaalsContact CD1-CB 3.43Å; I368-Q532 HydrophobicContact CD1-CG 3.65Å; I368-Q532 HydrophobicContact CG1-CB 3.66Å; I368-Q532 HydrophobicContact CG1-CG 3.92Å; I528-Q532 HydrophobicContact CG1-CG 4.07Å; I528-Q532 PolarHBondContact O-N 2.92Å; R529-Q532 CarbonylContact O-C 3.6Å; R529-Q532 PolarHBondContact O-N 3.08Å; P530-Q532 PolarHBondContact O-N 3.19Å; Q532-L534 PolarHBondContact O-N 3.46Å; Q532-P535 VanDerWaalsContact O-CD 3.31Å; Q532-P535 WeakPolarHBondContact O-CD 3.24Å; Q532-S536 PolarHBondContact O-N 2.95Å; Q532-S536 PolarHBondContact O-OG 3.32Å; Q532-S536 VanDerWaalsContact O-OG 3.09Å
533	R	91.4	Very high	86.9	Confident	8 Å²	8	26.7 Å²	26.7	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-61.3	-48.6	-170.5	-177.6	64.2	-178.9	156.6	4.1	113.1	T398 E399 Y402 R529 P530 S536 V537	T398-R533 PolarHBondContact OG1-NH2 3.4Å; T398-R533 VanDerWaalsContact OG1-NH2 3.14Å; E399-R533 IonicContact OE2-CZ 3.14Å; E399-R533 IonicContact OE2-NE 3.33Å; E399-R533 PolarHBondContact OE2-NE 3.33Å; E399-R533 IonicContact OE2-NH2 3.43Å; E399-R533 PolarHBondContact OE2-NH2 3.43Å; Y402-R533 HydrophobicContact CD1-CG 3.88Å; Y402-R533 HydrophobicContact CD2-CG 4.4Å; Y402-R533 HydrophobicContact CE1-CB 4.22Å; Y402-R533 HydrophobicContact CE1-CG 3.67Å; Y402-R533 HydrophobicContact CE2-CB 4.12Å; Y402-R533 HydrophobicContact CE2-CG 4.24Å; Y402-R533 HydrophobicContact CG-CG 4.25Å; R529-R533 PolarHBondContact O-N 2.9Å; P530-R533 PolarHBondContact O-N 3.1Å; R533-S536 PolarHBondContact O-N 2.99Å; R533-V537 HydrophobicContact CG-CG2 4.37Å; R533-V537 WeakPolarHBondContact O-CG2 3.46Å; R533-V537 PolarHBondContact O-N 3.36Å
534	L	89.5	Confident	85.3	Confident	3 Å²	3	29.3 Å²	29.3	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-47.1	-174.9	-59	-177.2	0	0	0	112.5	M477 Y481 Q532 S536 V537 I538 L566 V569 L570 I573	M477-L534 HydrophobicContact CE-CD2 4.14Å; M477-L534 HydrophobicContact SD-CD2 3.74Å; Y481-L534 HydrophobicContact CD1-CD1 3.99Å; Y481-L534 HydrophobicContact CD1-CG 4.36Å; Y481-L534 HydrophobicContact CD2-CD1 3.99Å; Y481-L534 HydrophobicContact CD2-CD2 4.5Å; Y481-L534 HydrophobicContact CE1-CD1 4.07Å; Y481-L534 HydrophobicContact CE1-CD2 4.4Å; Y481-L534 HydrophobicContact CE1-CG 3.94Å; Y481-L534 HydrophobicContact CE2-CD1 4.07Å; Y481-L534 HydrophobicContact CE2-CD2 3.8Å; Y481-L534 HydrophobicContact CE2-CG 4.11Å; Y481-L534 HydrophobicContact CG-CD1 3.92Å; Q532-L534 PolarHBondContact O-N 3.46Å; L534-S536 VanDerWaalsContact C-N 3.33Å; L534-S536 PolarHBondContact O-N 2.99Å; L534-V537 PolarHBondContact O-N 2.99Å; L534-I538 WeakPolarHBondContact O-CG1 3.35Å; L534-I538 PolarHBondContact O-N 3.24Å; L534-L566 HydrophobicContact CD2-CD2 4.31Å; L534-V569 HydrophobicContact CD1-CG1 4.06Å; L534-L570 HydrophobicContact CB-CD2 3.93Å; L534-L570 HydrophobicContact CB-CG 4.41Å; L534-L570 HydrophobicContact CD1-CD2 4.24Å; L534-I573 HydrophobicContact CD1-CD1 3.71Å
535	P	87.9	Confident	83.6	Confident	35 Å²	35	27.7 Å²	27.7	23%	0.227	16%	0.16	C	C	.	.	H	α-helix	trans	-55.1	-44.3	170.7	-27.4	34.9	0	0	0	113.5	Q532 V537 I538 L539 L570	Q532-P535 VanDerWaalsContact O-CD 3.31Å; Q532-P535 WeakPolarHBondContact O-CD 3.24Å; P535-V537 PolarHBondContact O-N 3.48Å; P535-I538 PolarHBondContact O-N 2.84Å; P535-L539 PolarHBondContact O-N 3.42Å; P535-L570 HydrophobicContact CG-CD1 4.41Å; P535-L570 HydrophobicContact CG-CD2 4.43Å
536	S	86.9	Confident	81.7	Confident	21 Å²	21	33.3 Å²	33.3	15%	0.147	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-40.1	179.7	-59.4	0	0	0	0	113	Q532 R533 L534 I538 L539 L540	Q532-S536 PolarHBondContact O-N 2.95Å; Q532-S536 PolarHBondContact O-OG 3.32Å; Q532-S536 VanDerWaalsContact O-OG 3.09Å; R533-S536 PolarHBondContact O-N 2.99Å; L534-S536 VanDerWaalsContact C-N 3.33Å; L534-S536 PolarHBondContact O-N 2.99Å; S536-I538 VanDerWaalsContact C-N 3.33Å; S536-I538 PolarHBondContact O-N 3.16Å; S536-L539 PolarHBondContact O-N 3.39Å; S536-L540 WeakPolarHBondContact O-CB 3.44Å; S536-L540 PolarHBondContact O-N 2.94Å
537	V	85.7	Confident	79.6	Confident	10 Å²	10	38.5 Å²	38.5	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-37.6	177	176.6	0	0	0	0	111	L395 R533 L534 P535 L539 L540 L541 L566	L395-V537 HydrophobicContact CD1-CG1 3.97Å; R533-V537 HydrophobicContact CG-CG2 4.37Å; R533-V537 WeakPolarHBondContact O-CG2 3.46Å; R533-V537 PolarHBondContact O-N 3.36Å; L534-V537 PolarHBondContact O-N 2.99Å; P535-V537 PolarHBondContact O-N 3.48Å; V537-L539 VanDerWaalsContact C-N 3.35Å; V537-L539 PolarHBondContact O-N 2.97Å; V537-L540 PolarHBondContact O-N 3.28Å; V537-L541 HydrophobicContact CG1-CD1 4.04Å; V537-L541 HydrophobicContact CG1-CG 4.4Å; V537-L541 WeakPolarHBondContact O-CG 3.34Å; V537-L541 PolarHBondContact O-N 2.93Å; V537-L566 HydrophobicContact CB-CD1 4.18Å; V537-L566 HydrophobicContact CG1-CD1 3.62Å
538	I	86	Confident	77.4	Confident	19 Å²	19	45.9 Å²	45.9	10%	0.097	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-42.5	174.5	-66.9	172	0	0	0	111	L534 P535 S536 L541 S542 I563 L566 K567 L570	L534-I538 WeakPolarHBondContact O-CG1 3.35Å; L534-I538 PolarHBondContact O-N 3.24Å; P535-I538 PolarHBondContact O-N 2.84Å; S536-I538 VanDerWaalsContact C-N 3.33Å; S536-I538 PolarHBondContact O-N 3.16Å; I538-L541 PolarHBondContact O-N 3.27Å; I538-S542 VanDerWaalsContact O-CB 3.28Å; I538-S542 WeakPolarHBondContact O-CB 3.34Å; I538-S542 PolarHBondContact O-N 2.81Å; I538-S542 PolarHBondContact O-OG 2.93Å; I538-I563 HydrophobicContact CG2-CG2 4.36Å; I538-L566 HydrophobicContact CD1-CB 3.86Å; I538-L566 HydrophobicContact CG1-CB 3.65Å; I538-L566 HydrophobicContact CG1-CD1 3.85Å; I538-L566 HydrophobicContact CG1-CG 4.43Å; I538-K567 HydrophobicContact CD1-CG 4.13Å; I538-L570 HydrophobicContact CD1-CD1 3.32Å; I538-L570 HydrophobicContact CD1-CG 4.25Å
539	L	82.8	Confident	75.2	Confident	111 Å²	111	46.7 Å²	46.7	58%	0.581	26%	0.255	S	S	*	.	H	α-helix	trans	-63.8	-42.3	176.5	-71.1	173.9	0	0	0	111.5	P535 S536 V537 L541 S542 G543	P535-L539 PolarHBondContact O-N 3.42Å; S536-L539 PolarHBondContact O-N 3.39Å; V537-L539 VanDerWaalsContact C-N 3.35Å; V537-L539 PolarHBondContact O-N 2.97Å; L539-L541 PolarHBondContact O-N 3.26Å; L539-S542 WeakPolarHBondContact CA-OG 3.44Å; L539-S542 PolarHBondContact O-N 3.44Å; L539-S542 PolarHBondContact O-OG 3.22Å; L539-G543 PolarHBondContact O-N 2.88Å
540	L	82.4	Confident	73	Confident	20 Å²	20	52.1 Å²	52.1	11%	0.105	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-45.5	176.8	176.3	61.4	0	0	0	112.1	E394 L395 T398 S536 V537	E394-L540 HydrophobicContact CG-CD1 3.96Å; E394-L540 WeakPolarHBondContact OE1-CD1 3.42Å; L395-L540 HydrophobicContact CB-CD2 4.32Å; L395-L540 HydrophobicContact CD1-CD2 3.94Å; T398-L540 HydrophobicContact CG2-CD2 4.49Å; S536-L540 WeakPolarHBondContact O-CB 3.44Å; S536-L540 PolarHBondContact O-N 2.94Å; V537-L540 PolarHBondContact O-N 3.28Å
541	L	79.5	Confident	71.1	Confident	10 Å²	10	61 Å²	61	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-72	-41.2	179.2	-66.2	173.6	0	0	0	112.1	V391 L472 V537 I538 L539 S545 I559 I563 L566	V391-L541 HydrophobicContact CG1-CD2 4.27Å; L472-L541 HydrophobicContact CD1-CD1 3.9Å; V537-L541 HydrophobicContact CG1-CD1 4.04Å; V537-L541 HydrophobicContact CG1-CG 4.4Å; V537-L541 WeakPolarHBondContact O-CG 3.34Å; V537-L541 PolarHBondContact O-N 2.93Å; I538-L541 PolarHBondContact O-N 3.27Å; L539-L541 PolarHBondContact O-N 3.26Å; L541-S545 PolarHBondContact O-N 3.13Å; L541-I559 HydrophobicContact CB-CG2 4.32Å; L541-I563 HydrophobicContact CB-CD1 3.89Å; L541-I563 HydrophobicContact CB-CG1 3.62Å; L541-I563 HydrophobicContact CD1-CG1 4.21Å; L541-L566 HydrophobicContact CD1-CD1 4.11Å
542	S	78	Confident	69.2	Low	50 Å²	50	65.2 Å²	65.2	35%	0.35	35%	0.351	S	S	.	.	H	α-helix	trans	-72	-38.7	-179.6	58.3	0	0	0	0	113.1	I538 L539 K544 S545	I538-S542 VanDerWaalsContact O-CB 3.28Å; I538-S542 WeakPolarHBondContact O-CB 3.34Å; I538-S542 PolarHBondContact O-N 2.81Å; I538-S542 PolarHBondContact O-OG 2.93Å; L539-S542 WeakPolarHBondContact CA-OG 3.44Å; L539-S542 PolarHBondContact O-N 3.44Å; L539-S542 PolarHBondContact O-OG 3.22Å; S542-K544 PolarHBondContact O-N 2.83Å; S542-S545 PolarHBondContact O-N 2.94Å; S542-S545 VanDerWaalsContact O-N 3.11Å
543	G	68.2	Low	67.6	Low	38 Å²	38	67.6 Å²	67.6	39%	0.392	36%	0.364	S	S	.	.	H	α-helix	trans	-61.9	-29.1	179.4	0	0	0	0	0	113.6	L539	L539-G543 PolarHBondContact O-N 2.88Å
544	K	58.4	Low	66.1	Low	61 Å²	61	69.2 Å²	69.2	27%	0.265	38%	0.379	S	S	.	.	H	α-helix	trans	-91.2	-12.9	177.6	-62.7	-172.3	177.3	-174.3	0	113.8	Q390 V391 E394 S542 R546	Q390-K544 PolarHBondContact O-NZ 3.45Å; V391-K544 HydrophobicContact CB-CD 3.99Å; V391-K544 HydrophobicContact CG1-CD 4.1Å; V391-K544 HydrophobicContact CG2-CB 3.82Å; V391-K544 HydrophobicContact CG2-CD 3.37Å; V391-K544 HydrophobicContact CG2-CG 4.23Å; E394-K544 VanDerWaalsContact CB-NZ 3.27Å; E394-K544 IonicContact OE1-NZ 2.93Å; E394-K544 WeakPolarHBondContact OE2-CE 3.16Å; E394-K544 IonicContact OE2-NZ 3.49Å; E394-K544 PolarHBondContact OE2-NZ 3.46Å; S542-K544 PolarHBondContact O-N 2.83Å; K544-R546 PolarHBondContact O-N 3.11Å
545	S	53.4	Low	64.7	Low	22 Å²	22	71 Å²	71	15%	0.154	39%	0.389	C	S	.	.			trans	-85.4	23.7	174.2	179.4	0	0	0	0	113.3	L541 S542 H556	L541-S545 PolarHBondContact O-N 3.13Å; S542-S545 PolarHBondContact O-N 2.94Å; S542-S545 VanDerWaalsContact O-N 3.11Å; S545-H556 PolarHBondContact OG-CE1 2.83Å; S545-H556 PolarHBondContact OG-ND1 3.37Å
546	R	49.6	Very low	63.7	Low	187 Å²	187	72.2 Å²	72.2	71%	0.706	39%	0.392	S	S	*	.			trans	-56	147.2	-179.2	-80.9	-177.8	-160.2	-171.4	4	112	K544 N548 T549	K544-R546 PolarHBondContact O-N 3.11Å; R546-N548 PolarHBondContact O-N 2.97Å; R546-T549 PolarHBondContact O-N 3.23Å; R546-T549 PolarHBondContact O-OG1 3.15Å; R546-T549 VanDerWaalsContact O-OG1 3.1Å
547	P	47.2	Very low	63	Low	112 Å²	112	76.1 Å²	76.1	73%	0.727	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-0.8	-167.6	19.6	-32.4	0	0	0	117.8
548	N	45.1	Very low	62.2	Low	157 Å²	157	76.7 Å²	76.7	84%	0.84	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	11.1	174.9	-84	5.3	0	0	0	113.8	R546	R546-N548 PolarHBondContact O-N 2.97Å
549	T	46.5	Very low	61.6	Low	49 Å²	49	77.6 Å²	77.6	30%	0.301	42%	0.418	S	S	.	.	S	Bend	trans	-84.9	115.4	165.6	-39.8	0	0	0	0	106.2	R546 K551	R546-T549 PolarHBondContact O-N 3.23Å; R546-T549 PolarHBondContact O-OG1 3.15Å; R546-T549 VanDerWaalsContact O-OG1 3.1Å; T549-K551 PolarHBondContact O-N 3.22Å
550	E	43.3	Very low	61.5	Low	143 Å²	143	75.2 Å²	75.2	67%	0.668	40%	0.404	S	S	*	.			trans	-42.4	116.5	-175.6	-69.8	171.4	172	0	0	110.4	S552 N553	E550-S552 PolarHBondContact O-N 3.06Å; E550-N553 PolarHBondContact O-N 3.06Å
551	K	51.9	Low	61.4	Low	187 Å²	187	81 Å²	81	81%	0.813	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	2.9	179.2	-65	179.5	178.8	178.1	0	113.9	T549	T549-K551 PolarHBondContact O-N 3.22Å
552	S	49.8	Very low	61.5	Low	109 Å²	109	81.3 Å²	81.3	76%	0.762	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-2.1	177.5	-167.5	0	0	0	0	113.5	E550	E550-S552 PolarHBondContact O-N 3.06Å
553	N	56.9	Low	61.8	Low	67 Å²	67	79.1 Å²	79.1	36%	0.358	41%	0.413	S	S	.	.			trans	-90.2	123.6	178.3	-78.9	-57	0	0	0	111.4	E550 D555 H556	E550-N553 PolarHBondContact O-N 3.06Å; N553-D555 HydrophobicContact CB-CB 4.4Å; N553-D555 PolarHBondContact O-N 3.37Å; N553-H556 PolarHBondContact O-N 3.13Å
554	A	60.3	Low	62.7	Low	42 Å²	42	81.3 Å²	81.3	35%	0.347	41%	0.413	S	S	.	.	H	α-helix	trans	-52.1	-21.1	172.4	0	0	0	0	0	113.3	H556 D557 D558	A554-H556 VanDerWaalsContact C-N 3.33Å; A554-H556 PolarHBondContact O-N 2.99Å; A554-D557 PolarHBondContact O-N 3.31Å; A554-D558 PolarHBondContact O-N 2.99Å
555	D	59.7	Low	64	Low	40 Å²	40	79.1 Å²	79.1	21%	0.214	41%	0.407	C	S	.	.	H	α-helix	trans	-67.9	-29.3	178.8	-59.6	-2.4	0	0	0	113.2	R388 N553 I559	R388-D555 WeakPolarHBondContact CD-OD2 3.48Å; R388-D555 IonicContact CZ-OD1 3.72Å; R388-D555 IonicContact CZ-OD2 3.53Å; R388-D555 VanDerWaalsContact CZ-OD2 3.28Å; R388-D555 IonicContact NE-OD1 2.63Å; R388-D555 PolarHBondContact NE-OD1 3.12Å; R388-D555 IonicContact NE-OD2 2.81Å; R388-D555 PolarHBondContact NE-OD2 3.06Å; R388-D555 IonicContact NH1-OD1 2.79Å; R388-D555 PolarHBondContact NH1-OD1 3.31Å; R388-D555 IonicContact NH1-OD2 2.82Å; R388-D555 PolarHBondContact NH1-OD2 2.95Å; R388-D555 IonicContact NH2-OD1 3.64Å; R388-D555 PolarHBondContact NH2-OD1 2.84Å; N553-D555 HydrophobicContact CB-CB 4.4Å; N553-D555 PolarHBondContact O-N 3.37Å; D555-I559 WeakPolarHBondContact O-CG1 3.14Å; D555-I559 PolarHBondContact O-N 3.45Å; D555-I559 VanDerWaalsContact O-N 3.12Å
556	H	66.9	Low	65.7	Low	61 Å²	61	78.1 Å²	78.1	28%	0.282	40%	0.4	S	S	.	.	H	α-helix	trans	-66	-43.8	175.5	-177	63.8	0	0	0	110.6	S545 N553 A554 D558 I559 Q560	S545-H556 PolarHBondContact OG-CE1 2.83Å; S545-H556 PolarHBondContact OG-ND1 3.37Å; N553-H556 PolarHBondContact O-N 3.13Å; A554-H556 VanDerWaalsContact C-N 3.33Å; A554-H556 PolarHBondContact O-N 2.99Å; H556-D558 VanDerWaalsContact C-N 3.34Å; H556-D558 PolarHBondContact O-N 3.18Å; H556-I559 PolarHBondContact O-N 3.32Å; H556-Q560 WeakPolarHBondContact O-CB 3.5Å; H556-Q560 PolarHBondContact O-N 2.81Å
557	D	71.5	Confident	67.6	Low	103 Å²	103	74 Å²	74	55%	0.551	39%	0.387	S	S	*	.	H	α-helix	trans	-65.1	-38.3	178.3	-64.8	-17.8	0	0	0	111.5	A554 R561	A554-D557 PolarHBondContact O-N 3.31Å; D557-R561 WeakPolarHBondContact O-CB 3.41Å; D557-R561 WeakPolarHBondContact O-CG 3.31Å; D557-R561 PolarHBondContact O-N 2.96Å; D557-R561 PolarHBondContact O-NE 3.49Å
558	D	69.9	Low	69.6	Low	23 Å²	23	75.9 Å²	75.9	12%	0.123	38%	0.379	C	S	.	.	H	α-helix	trans	-63.5	-49.1	176.6	-69.2	-13.7	0	0	0	112.1	R388 A554 H556 R561 A562	R388-D558 IonicContact NH2-OD2 2.77Å; A554-D558 PolarHBondContact O-N 2.99Å; H556-D558 VanDerWaalsContact C-N 3.34Å; H556-D558 PolarHBondContact O-N 3.18Å; D558-R561 PolarHBondContact O-N 2.7Å; D558-R561 IonicContact OD1-CZ 3.59Å; D558-R561 IonicContact OD1-NE 3.93Å; D558-R561 IonicContact OD1-NH2 2.57Å; D558-R561 PolarHBondContact OD1-NH2 3.32Å; D558-A562 PolarHBondContact O-N 2.94Å
559	I	73.2	Confident	71.8	Confident	37 Å²	37	68.5 Å²	68.5	19%	0.19	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-42	179.5	-66.8	168.7	0	0	0	110.4	L541 D555 H556 A562 I563	L541-I559 HydrophobicContact CB-CG2 4.32Å; D555-I559 WeakPolarHBondContact O-CG1 3.14Å; D555-I559 PolarHBondContact O-N 3.45Å; D555-I559 VanDerWaalsContact O-N 3.12Å; H556-I559 PolarHBondContact O-N 3.32Å; I559-A562 WeakPolarHBondContact O-CB 3.5Å; I559-A562 PolarHBondContact O-N 3.3Å; I559-I563 HydrophobicContact CG2-CD1 3.89Å; I559-I563 HydrophobicContact CG2-CG1 4.42Å; I559-I563 WeakPolarHBondContact O-CG1 3.33Å; I559-I563 PolarHBondContact O-N 3.44Å
560	Q	80	Confident	73.8	Confident	61 Å²	61	67.7 Å²	67.7	29%	0.285	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-42.6	177.9	-177.2	59.2	25.4	0	0	111.4	H556 A562 I563 E564	H556-Q560 WeakPolarHBondContact O-CB 3.5Å; H556-Q560 PolarHBondContact O-N 2.81Å; Q560-A562 VanDerWaalsContact C-N 3.31Å; Q560-A562 PolarHBondContact O-N 3.22Å; Q560-I563 PolarHBondContact O-N 2.9Å; Q560-E564 PolarHBondContact NE2-OE1 2.96Å; Q560-E564 WeakPolarHBondContact O-CB 3.19Å; Q560-E564 WeakPolarHBondContact O-CG 3.24Å; Q560-E564 PolarHBondContact O-N 2.83Å
561	R	81.1	Confident	76	Confident	141 Å²	141	65.3 Å²	65.3	53%	0.532	33%	0.329	S	S	.	.	H	α-helix	trans	-59.6	-40	173.5	-77.5	-173.4	-65.3	159.4	-6.4	112.4	D557 D558 E564 A565	D557-R561 WeakPolarHBondContact O-CB 3.41Å; D557-R561 WeakPolarHBondContact O-CG 3.31Å; D557-R561 PolarHBondContact O-N 2.96Å; D557-R561 PolarHBondContact O-NE 3.49Å; D558-R561 PolarHBondContact O-N 2.7Å; D558-R561 IonicContact OD1-CZ 3.59Å; D558-R561 IonicContact OD1-NE 3.93Å; D558-R561 IonicContact OD1-NH2 2.57Å; D558-R561 PolarHBondContact OD1-NH2 3.32Å; R561-E564 PolarHBondContact O-N 2.73Å; R561-A565 WeakPolarHBondContact O-CB 3.46Å; R561-A565 PolarHBondContact O-N 3.49Å
562	A	81.2	Confident	77.9	Confident	17 Å²	17	60.4 Å²	60.4	14%	0.14	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-43	177.1	0	0	0	0	0	112.3	L472 D558 I559 Q560 A565 L566	L472-A562 HydrophobicContact CD1-CB 3.77Å; L472-A562 HydrophobicContact CG-CB 4.46Å; D558-A562 PolarHBondContact O-N 2.94Å; I559-A562 WeakPolarHBondContact O-CB 3.5Å; I559-A562 PolarHBondContact O-N 3.3Å; Q560-A562 VanDerWaalsContact C-N 3.31Å; Q560-A562 PolarHBondContact O-N 3.22Å; A562-A565 WeakPolarHBondContact O-CB 3.33Å; A562-A565 PolarHBondContact O-N 3.45Å; A562-L566 PolarHBondContact O-N 3.18Å
563	I	83.7	Confident	79.9	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-46	174	-69.9	168.1	0	0	0	110.5	I538 L541 I559 Q560 A565 L566 K567	I538-I563 HydrophobicContact CG2-CG2 4.36Å; L541-I563 HydrophobicContact CB-CD1 3.89Å; L541-I563 HydrophobicContact CB-CG1 3.62Å; L541-I563 HydrophobicContact CD1-CG1 4.21Å; I559-I563 HydrophobicContact CG2-CD1 3.89Å; I559-I563 HydrophobicContact CG2-CG1 4.42Å; I559-I563 WeakPolarHBondContact O-CG1 3.33Å; I559-I563 PolarHBondContact O-N 3.44Å; Q560-I563 PolarHBondContact O-N 2.9Å; I563-A565 VanDerWaalsContact C-N 3.32Å; I563-A565 PolarHBondContact O-N 3.25Å; I563-L566 PolarHBondContact O-N 3.38Å; I563-K567 HydrophobicContact CG2-CD 4.03Å; I563-K567 HydrophobicContact CG2-CG 4.4Å; I563-K567 WeakPolarHBondContact O-CB 3.48Å; I563-K567 WeakPolarHBondContact O-CG 3.49Å; I563-K567 PolarHBondContact O-N 3.13Å
564	E	86.5	Confident	81.3	Confident	84 Å²	84	54.9 Å²	54.9	39%	0.393	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-37.9	178.1	-74.3	174.8	-168.2	0	0	112.1	Q560 R561 K567 R568	Q560-E564 PolarHBondContact NE2-OE1 2.96Å; Q560-E564 WeakPolarHBondContact O-CB 3.19Å; Q560-E564 WeakPolarHBondContact O-CG 3.24Å; Q560-E564 PolarHBondContact O-N 2.83Å; R561-E564 PolarHBondContact O-N 2.73Å; E564-K567 PolarHBondContact O-N 3.41Å; E564-R568 WeakPolarHBondContact O-CG 3.48Å; E564-R568 PolarHBondContact O-N 2.97Å
565	A	87.5	Confident	82.6	Confident	16 Å²	16	55.1 Å²	55.1	13%	0.132	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-50	173.6	0	0	0	0	0	111.7	A474 R561 A562 I563 K567 R568 V569	A474-A565 HydrophobicContact CB-CB 3.91Å; R561-A565 WeakPolarHBondContact O-CB 3.46Å; R561-A565 PolarHBondContact O-N 3.49Å; A562-A565 WeakPolarHBondContact O-CB 3.33Å; A562-A565 PolarHBondContact O-N 3.45Å; I563-A565 VanDerWaalsContact C-N 3.32Å; I563-A565 PolarHBondContact O-N 3.25Å; A565-K567 PolarHBondContact O-N 3.04Å; A565-R568 WeakPolarHBondContact O-CB 3.35Å; A565-R568 PolarHBondContact O-N 3.23Å; A565-V569 WeakPolarHBondContact O-CG2 3.16Å; A565-V569 PolarHBondContact O-N 2.82Å
566	L	88	Confident	83.9	Confident	1 Å²	1	55 Å²	55	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-38.6	177.1	-72.3	178.9	0	0	0	112.9	L472 M477 L534 V537 I538 L541 A562 I563 R568 V569 L570	L472-L566 HydrophobicContact CD1-CD1 3.74Å; L472-L566 HydrophobicContact CD1-CD2 4.44Å; L472-L566 HydrophobicContact CD1-CG 3.94Å; M477-L566 HydrophobicContact SD-CD2 3.66Å; L534-L566 HydrophobicContact CD2-CD2 4.31Å; V537-L566 HydrophobicContact CB-CD1 4.18Å; V537-L566 HydrophobicContact CG1-CD1 3.62Å; I538-L566 HydrophobicContact CD1-CB 3.86Å; I538-L566 HydrophobicContact CG1-CB 3.65Å; I538-L566 HydrophobicContact CG1-CD1 3.85Å; I538-L566 HydrophobicContact CG1-CG 4.43Å; L541-L566 HydrophobicContact CD1-CD1 4.11Å; A562-L566 PolarHBondContact O-N 3.18Å; I563-L566 PolarHBondContact O-N 3.38Å; L566-R568 VanDerWaalsContact C-N 3.32Å; L566-R568 PolarHBondContact O-N 3.19Å; L566-V569 WeakPolarHBondContact O-CB 3.49Å; L566-V569 PolarHBondContact O-N 3.03Å; L566-L570 PolarHBondContact O-N 3.07Å
567	K	88.7	Confident	84.8	Confident	100 Å²	100	53.6 Å²	53.6	44%	0.435	26%	0.256	S	S	.	.	H	α-helix	trans	-61.4	-40.2	174	-76.6	178.8	177.5	178.6	0	111.9	I538 I563 E564 A565 L570 T571	I538-K567 HydrophobicContact CD1-CG 4.13Å; I563-K567 HydrophobicContact CG2-CD 4.03Å; I563-K567 HydrophobicContact CG2-CG 4.4Å; I563-K567 WeakPolarHBondContact O-CB 3.48Å; I563-K567 WeakPolarHBondContact O-CG 3.49Å; I563-K567 PolarHBondContact O-N 3.13Å; E564-K567 PolarHBondContact O-N 3.41Å; A565-K567 PolarHBondContact O-N 3.04Å; K567-L570 PolarHBondContact O-N 3.04Å; K567-T571 PolarHBondContact O-N 3.18Å; K567-T571 PolarHBondContact O-OG1 2.95Å; K567-T571 VanDerWaalsContact O-OG1 3.05Å
568	R	90.3	Very high	85.5	Confident	151 Å²	151	55.5 Å²	55.5	57%	0.57	26%	0.255	S	S	*	.	H	α-helix	trans	-61.8	-42.3	173	-73.1	-172.7	-62.5	-91.5	5	111.6	E564 A565 L566 T571 F572	E564-R568 WeakPolarHBondContact O-CG 3.48Å; E564-R568 PolarHBondContact O-N 2.97Å; A565-R568 WeakPolarHBondContact O-CB 3.35Å; A565-R568 PolarHBondContact O-N 3.23Å; L566-R568 VanDerWaalsContact C-N 3.32Å; L566-R568 PolarHBondContact O-N 3.19Å; R568-T571 PolarHBondContact O-N 3.18Å; R568-F572 WeakPolarHBondContact O-CB 3.31Å; R568-F572 PolarHBondContact O-N 3.06Å
569	V	90.5	Very high	86.2	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-47.8	174.8	-177.1	0	0	0	0	110.9	A474 M477 V478 L534 A565 L566 T571 F572 I573	A474-V569 HydrophobicContact CB-CG2 4.01Å; M477-V569 HydrophobicContact CB-CG1 4.02Å; M477-V569 HydrophobicContact CB-CG2 4.45Å; V478-V569 HydrophobicContact CG2-CB 4.13Å; V478-V569 HydrophobicContact CG2-CG1 3.95Å; V478-V569 HydrophobicContact CG2-CG2 3.68Å; L534-V569 HydrophobicContact CD1-CG1 4.06Å; A565-V569 WeakPolarHBondContact O-CG2 3.16Å; A565-V569 PolarHBondContact O-N 2.82Å; L566-V569 WeakPolarHBondContact O-CB 3.49Å; L566-V569 PolarHBondContact O-N 3.03Å; V569-T571 PolarHBondContact O-N 2.96Å; V569-F572 WeakPolarHBondContact O-CB 3.37Å; V569-F572 PolarHBondContact O-N 3.44Å; V569-I573 HydrophobicContact CG1-CD1 3.73Å; V569-I573 HydrophobicContact CG1-CG1 4.37Å; V569-I573 VanDerWaalsContact O-CG1 3.31Å; V569-I573 WeakPolarHBondContact O-CG1 3.28Å; V569-I573 PolarHBondContact O-N 3.15Å
570	L	89.7	Confident	86.7	Confident	32 Å²	32	59.7 Å²	59.7	17%	0.168	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-41.2	177.8	-76.2	-179.5	0	0	0	113.1	L534 P535 I538 L566 K567 F572 I573 N574	L534-L570 HydrophobicContact CB-CD2 3.93Å; L534-L570 HydrophobicContact CB-CG 4.41Å; L534-L570 HydrophobicContact CD1-CD2 4.24Å; P535-L570 HydrophobicContact CG-CD1 4.41Å; P535-L570 HydrophobicContact CG-CD2 4.43Å; I538-L570 HydrophobicContact CD1-CD1 3.32Å; I538-L570 HydrophobicContact CD1-CG 4.25Å; L566-L570 PolarHBondContact O-N 3.07Å; K567-L570 PolarHBondContact O-N 3.04Å; L570-F572 VanDerWaalsContact C-N 3.31Å; L570-F572 PolarHBondContact O-N 3.05Å; L570-I573 PolarHBondContact O-N 2.83Å; L570-N574 WeakPolarHBondContact O-CB 3.44Å; L570-N574 PolarHBondContact O-N 2.95Å
571	T	89.9	Confident	86.8	Confident	93 Å²	93	61 Å²	61	57%	0.571	28%	0.277	S	S	*	.	H	α-helix	trans	-63.2	-40.5	175.5	-59.3	0	0	0	0	111	K567 R568 V569 N574 E575	K567-T571 PolarHBondContact O-N 3.18Å; K567-T571 PolarHBondContact O-OG1 2.95Å; K567-T571 VanDerWaalsContact O-OG1 3.05Å; R568-T571 PolarHBondContact O-N 3.18Å; V569-T571 PolarHBondContact O-N 2.96Å; T571-N574 PolarHBondContact O-N 2.93Å; T571-E575 WeakPolarHBondContact O-CB 3.17Å; T571-E575 PolarHBondContact O-N 2.82Å
572	F	91.4	Very high	86.9	Confident	83 Å²	83	55.2 Å²	55.2	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-62.4	-49.2	174.8	179	-89.5	0	0	0	111.8	V478 P482 R568 V569 L570 N574 E575 D576	V478-F572 HydrophobicContact CG1-CD1 3.69Å; V478-F572 HydrophobicContact CG1-CD2 4.39Å; V478-F572 HydrophobicContact CG1-CE1 3.66Å; V478-F572 HydrophobicContact CG1-CE2 4.36Å; V478-F572 HydrophobicContact CG1-CG 4.06Å; V478-F572 HydrophobicContact CG1-CZ 4.01Å; P482-F572 HydrophobicContact CG-CD1 4.1Å; P482-F572 HydrophobicContact CG-CE1 3.74Å; R568-F572 WeakPolarHBondContact O-CB 3.31Å; R568-F572 PolarHBondContact O-N 3.06Å; V569-F572 WeakPolarHBondContact O-CB 3.37Å; V569-F572 PolarHBondContact O-N 3.44Å; L570-F572 VanDerWaalsContact C-N 3.31Å; L570-F572 PolarHBondContact O-N 3.05Å; F572-N574 VanDerWaalsContact C-N 3.34Å; F572-N574 PolarHBondContact O-N 3.01Å; F572-E575 PolarHBondContact O-N 3.19Å; F572-D576 HydrophobicContact CE1-CB 4.34Å; F572-D576 VanDerWaalsContact O-CB 3.31Å; F572-D576 WeakPolarHBondContact O-CB 3.49Å; F572-D576 PolarHBondContact O-N 3.03Å
573	I	90.2	Very high	87	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-57.8	-46.2	177.5	-70.9	164	0	0	0	110.8	Y481 P482 I485 L534 V569 L570 E575 D576 K577	Y481-I573 HydrophobicContact CG-CD1 4.33Å; P482-I573 HydrophobicContact CG-CG1 4.16Å; I485-I573 HydrophobicContact CB-CG2 4.17Å; I485-I573 HydrophobicContact CD1-CD1 4.01Å; I485-I573 HydrophobicContact CD1-CG2 3.51Å; I485-I573 HydrophobicContact CG1-CG2 4.43Å; I485-I573 HydrophobicContact CG2-CG2 3.91Å; L534-I573 HydrophobicContact CD1-CD1 3.71Å; V569-I573 HydrophobicContact CG1-CD1 3.73Å; V569-I573 HydrophobicContact CG1-CG1 4.37Å; V569-I573 VanDerWaalsContact O-CG1 3.31Å; V569-I573 WeakPolarHBondContact O-CG1 3.28Å; V569-I573 PolarHBondContact O-N 3.15Å; L570-I573 PolarHBondContact O-N 2.83Å; I573-E575 VanDerWaalsContact C-N 3.34Å; I573-E575 PolarHBondContact O-N 2.76Å; I573-D576 PolarHBondContact O-N 2.95Å; I573-K577 WeakPolarHBondContact O-CB 3.32Å; I573-K577 PolarHBondContact O-N 2.82Å
574	N	86.9	Confident	87	Confident	60 Å²	60	62.2 Å²	62.2	32%	0.321	30%	0.296	S	S	.	.	H	α-helix	trans	-63.1	-41	179	-77.1	-15.2	0	0	0	112	L570 T571 F572 R578	L570-N574 WeakPolarHBondContact O-CB 3.44Å; L570-N574 PolarHBondContact O-N 2.95Å; T571-N574 PolarHBondContact O-N 2.93Å; F572-N574 VanDerWaalsContact C-N 3.34Å; F572-N574 PolarHBondContact O-N 3.01Å; N574-R578 WeakPolarHBondContact O-CB 3.34Å; N574-R578 PolarHBondContact O-N 3.23Å
575	E	87.1	Confident	86.8	Confident	47 Å²	47	63.9 Å²	63.9	22%	0.22	30%	0.302	C	S	.	.	H	α-helix	trans	-66.9	-40.6	175.9	179.3	56.7	-160.1	0	0	111.9	T571 F572 I573 R578 R579	T571-E575 WeakPolarHBondContact O-CB 3.17Å; T571-E575 PolarHBondContact O-N 2.82Å; F572-E575 PolarHBondContact O-N 3.19Å; I573-E575 VanDerWaalsContact C-N 3.34Å; I573-E575 PolarHBondContact O-N 2.76Å; E575-R578 PolarHBondContact O-N 2.92Å; E575-R578 IonicContact OE1-CZ 3.4Å; E575-R578 IonicContact OE1-NE 3.74Å; E575-R578 IonicContact OE1-NH2 2.64Å; E575-R578 PolarHBondContact OE1-NH2 3.4Å; E575-R578 IonicContact OE2-CZ 2.61Å; E575-R578 IonicContact OE2-NE 2.75Å; E575-R578 PolarHBondContact OE2-NE 3.32Å; E575-R578 IonicContact OE2-NH2 3.89Å; E575-R578 PolarHBondContact OE2-NH2 2.86Å; E575-R579 VanDerWaalsContact O-CG 3.27Å; E575-R579 WeakPolarHBondContact O-CG 3.33Å; E575-R579 PolarHBondContact O-N 3.02Å; E575-R579 IonicContact OE1-CZ 2.6Å; E575-R579 IonicContact OE1-NE 3.71Å; E575-R579 PolarHBondContact OE1-NE 3.31Å; E575-R579 IonicContact OE1-NH2 2.62Å
576	D	88.3	Confident	86.7	Confident	37 Å²	37	63.3 Å²	63.3	20%	0.198	30%	0.297	C	S	.	.	H	α-helix	trans	-67.1	-41	177.8	-165.7	72.1	0	0	0	112	P482 N486 F572 I573 R579 T580	P482-D576 HydrophobicContact CB-CB 4.43Å; P482-D576 WeakPolarHBondContact CB-OD2 3.27Å; N486-D576 PolarHBondContact ND2-OD2 3.05Å; F572-D576 HydrophobicContact CE1-CB 4.34Å; F572-D576 VanDerWaalsContact O-CB 3.31Å; F572-D576 WeakPolarHBondContact O-CB 3.49Å; F572-D576 PolarHBondContact O-N 3.03Å; I573-D576 PolarHBondContact O-N 2.95Å; D576-R579 PolarHBondContact O-N 3.03Å; D576-T580 WeakPolarHBondContact O-CB 3.49Å; D576-T580 PolarHBondContact O-N 2.89Å; D576-T580 PolarHBondContact O-OG1 3.38Å
577	K	86	Confident	86.5	Confident	31 Å²	31	68.5 Å²	68.5	14%	0.135	32%	0.32	C	S	.	.	H	α-helix	trans	-57.6	-50.5	170.8	-171.3	-174.9	-176.4	-162.3	0	110.8	N486 I573 R579 T580 E581	N486-K577 WeakPolarHBondContact OD1-CA 3.48Å; N486-K577 WeakPolarHBondContact OD1-CB 3.49Å; N486-K577 PolarHBondContact OD1-N 3.07Å; I573-K577 WeakPolarHBondContact O-CB 3.32Å; I573-K577 PolarHBondContact O-N 2.82Å; K577-R579 VanDerWaalsContact C-N 3.31Å; K577-R579 PolarHBondContact O-N 3.29Å; K577-T580 PolarHBondContact O-N 3.47Å; K577-E581 WeakPolarHBondContact CE-OE1 3.31Å; K577-E581 IonicContact NZ-OE1 3.84Å; K577-E581 WeakPolarHBondContact O-CG 3.43Å; K577-E581 PolarHBondContact O-N 3.48Å
578	R	84.9	Confident	86.3	Confident	143 Å²	143	67.4 Å²	67.4	54%	0.54	32%	0.319	S	S	.	.	H	α-helix	trans	-59	-41.2	177.4	-173.6	-179.2	72.8	157.1	5.5	112.2	N574 E575 G582	N574-R578 WeakPolarHBondContact O-CB 3.34Å; N574-R578 PolarHBondContact O-N 3.23Å; E575-R578 PolarHBondContact O-N 2.92Å; E575-R578 IonicContact OE1-CZ 3.4Å; E575-R578 IonicContact OE1-NE 3.74Å; E575-R578 IonicContact OE1-NH2 2.64Å; E575-R578 PolarHBondContact OE1-NH2 3.4Å; E575-R578 IonicContact OE2-CZ 2.61Å; E575-R578 IonicContact OE2-NE 2.75Å; E575-R578 PolarHBondContact OE2-NE 3.32Å; E575-R578 IonicContact OE2-NH2 3.89Å; E575-R578 PolarHBondContact OE2-NH2 2.86Å; R578-G582 PolarHBondContact O-N 2.99Å
579	R	84.8	Confident	85.9	Confident	116 Å²	116	61 Å²	61	44%	0.438	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-46.3	176.3	-75	173.2	-170.4	179.4	3.5	111.6	E575 D576 K577 G582 Q583	E575-R579 VanDerWaalsContact O-CG 3.27Å; E575-R579 WeakPolarHBondContact O-CG 3.33Å; E575-R579 PolarHBondContact O-N 3.02Å; E575-R579 IonicContact OE1-CZ 2.6Å; E575-R579 IonicContact OE1-NE 3.71Å; E575-R579 PolarHBondContact OE1-NE 3.31Å; E575-R579 IonicContact OE1-NH2 2.62Å; D576-R579 PolarHBondContact O-N 3.03Å; K577-R579 VanDerWaalsContact C-N 3.31Å; K577-R579 PolarHBondContact O-N 3.29Å; R579-G582 CarbonylContact O-C 3.38Å; R579-G582 WeakPolarHBondContact O-CA 3.21Å; R579-G582 PolarHBondContact O-N 3.46Å; R579-Q583 WeakPolarHBondContact O-CG 3.21Å; R579-Q583 PolarHBondContact O-N 3.22Å
580	T	83.9	Confident	85.6	Confident	33 Å²	33	61.5 Å²	61.5	20%	0.202	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-47.5	179.9	-60.2	0	0	0	0	111.1	N486 D576 K577 G582 Q583 V584	N486-T580 HydrophobicContact CB-CG2 4.22Å; N486-T580 PolarHBondContact ND2-OG1 3.39Å; D576-T580 WeakPolarHBondContact O-CB 3.49Å; D576-T580 PolarHBondContact O-N 2.89Å; D576-T580 PolarHBondContact O-OG1 3.38Å; K577-T580 PolarHBondContact O-N 3.47Å; T580-G582 VanDerWaalsContact C-N 3.28Å; T580-G582 PolarHBondContact O-N 2.84Å; T580-Q583 PolarHBondContact O-N 3.12Å; T580-Q583 VanDerWaalsContact O-N 3.12Å; T580-V584 WeakPolarHBondContact O-CG2 3.46Å; T580-V584 PolarHBondContact O-N 2.76Å
581	E	83.2	Confident	85.2	Confident	89 Å²	89	64.7 Å²	64.7	42%	0.416	32%	0.316	S	S	.	.	H	α-helix	trans	-59.6	-39.2	173.4	-72.1	176.4	-175.8	0	0	112.2	K577 V584 K585	K577-E581 WeakPolarHBondContact CE-OE1 3.31Å; K577-E581 IonicContact NZ-OE1 3.84Å; K577-E581 WeakPolarHBondContact O-CG 3.43Å; K577-E581 PolarHBondContact O-N 3.48Å; E581-V584 PolarHBondContact O-N 3.02Å; E581-K585 WeakPolarHBondContact O-CG 3.49Å; E581-K585 PolarHBondContact O-N 2.99Å
582	G	82.9	Confident	84.8	Confident	19 Å²	19	64.9 Å²	64.9	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-40	174.2	0	0	0	0	0	113	R578 R579 T580 K585 L586	R578-G582 PolarHBondContact O-N 2.99Å; R579-G582 CarbonylContact O-C 3.38Å; R579-G582 WeakPolarHBondContact O-CA 3.21Å; R579-G582 PolarHBondContact O-N 3.46Å; T580-G582 VanDerWaalsContact C-N 3.28Å; T580-G582 PolarHBondContact O-N 2.84Å; G582-K585 PolarHBondContact O-N 2.96Å; G582-L586 WeakPolarHBondContact O-CB 3.4Å; G582-L586 PolarHBondContact O-N 3.23Å
583	Q	83.3	Confident	84.2	Confident	84 Å²	84	61.4 Å²	61.4	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-69.5	-39.3	176.9	-74.8	-177	-15.3	0	0	112.4	R579 T580 L586 F587 S603	R579-Q583 WeakPolarHBondContact O-CG 3.21Å; R579-Q583 PolarHBondContact O-N 3.22Å; T580-Q583 PolarHBondContact O-N 3.12Å; T580-Q583 VanDerWaalsContact O-N 3.12Å; Q583-L586 WeakPolarHBondContact O-CB 3.43Å; Q583-L586 PolarHBondContact O-N 3.37Å; Q583-F587 WeakPolarHBondContact O-CB 3.41Å; Q583-F587 PolarHBondContact O-N 2.94Å; Q583-S603 PolarHBondContact NE2-O 3.05Å; Q583-S603 VanDerWaalsContact NE2-O 3.11Å
584	V	83.2	Confident	83.2	Confident	83 Å²	83	64.5 Å²	64.5	50%	0.503	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-47.7	173.5	174.2	0	0	0	0	110.2	T580 E581 L586 F587 D588	T580-V584 WeakPolarHBondContact O-CG2 3.46Å; T580-V584 PolarHBondContact O-N 2.76Å; E581-V584 PolarHBondContact O-N 3.02Å; V584-L586 VanDerWaalsContact C-N 3.33Å; V584-L586 PolarHBondContact O-N 3.48Å; V584-F587 WeakPolarHBondContact O-CB 3.27Å; V584-F587 PolarHBondContact O-N 3.21Å; V584-D588 PolarHBondContact O-N 2.86Å
585	K	82.2	Confident	82.5	Confident	120 Å²	120	67.4 Å²	67.4	52%	0.522	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-40.8	175	-71.5	174	-177	171.1	0	112.5	E581 G582 D588 I589	E581-K585 WeakPolarHBondContact O-CG 3.49Å; E581-K585 PolarHBondContact O-N 2.99Å; G582-K585 PolarHBondContact O-N 2.96Å; K585-D588 PolarHBondContact O-N 3.47Å; K585-I589 WeakPolarHBondContact O-CD1 3.31Å; K585-I589 VanDerWaalsContact O-CG1 3.24Å; K585-I589 WeakPolarHBondContact O-CG1 3.47Å; K585-I589 PolarHBondContact O-N 3.14Å
586	L	85.1	Confident	81.8	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-43.6	176.2	177	65	0	0	0	111.4	G582 Q583 V584 D588 I589 V590 L601 R605 F633	G582-L586 WeakPolarHBondContact O-CB 3.4Å; G582-L586 PolarHBondContact O-N 3.23Å; Q583-L586 WeakPolarHBondContact O-CB 3.43Å; Q583-L586 PolarHBondContact O-N 3.37Å; V584-L586 VanDerWaalsContact C-N 3.33Å; V584-L586 PolarHBondContact O-N 3.48Å; L586-D588 VanDerWaalsContact C-N 3.35Å; L586-I589 PolarHBondContact O-N 3.22Å; L586-V590 HydrophobicContact CD1-CG2 4.42Å; L586-V590 WeakPolarHBondContact O-CG2 3.27Å; L586-V590 PolarHBondContact O-N 3.24Å; L586-L601 HydrophobicContact CD2-CD2 4.41Å; L586-L601 HydrophobicContact CG-CD2 4.08Å; L586-R605 HydrophobicContact CD2-CB 4.05Å; L586-R605 HydrophobicContact CD2-CG 4.31Å; L586-F633 HydrophobicContact CD1-CD1 4.18Å; L586-F633 HydrophobicContact CD1-CE1 3.36Å; L586-F633 HydrophobicContact CD1-CZ 3.72Å
587	F	84	Confident	81.1	Confident	109 Å²	109	65.2 Å²	65.2	48%	0.478	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-43.2	176.7	-174.4	-105.4	0	0	0	111.6	Q583 V584 I589 V590 N591 L601	Q583-F587 WeakPolarHBondContact O-CB 3.41Å; Q583-F587 PolarHBondContact O-N 2.94Å; V584-F587 WeakPolarHBondContact O-CB 3.27Å; V584-F587 PolarHBondContact O-N 3.21Å; F587-I589 VanDerWaalsContact C-N 3.34Å; F587-I589 PolarHBondContact O-N 2.77Å; F587-V590 PolarHBondContact O-N 3.46Å; F587-N591 WeakPolarHBondContact CD1-ND2 3.34Å; F587-N591 WeakPolarHBondContact CE1-ND2 3.32Å; F587-N591 VanDerWaalsContact CZ-ND2 3.3Å; F587-N591 WeakPolarHBondContact CZ-ND2 3.14Å; F587-N591 WeakPolarHBondContact O-CB 3.09Å; F587-N591 VanDerWaalsContact O-CG 3.31Å; F587-N591 PolarHBondContact O-N 2.86Å; F587-N591 PolarHBondContact O-ND2 2.79Å; F587-L601 HydrophobicContact CD2-CD1 4.48Å; F587-L601 HydrophobicContact CD2-CD2 4.47Å
588	D	83.8	Confident	80.5	Confident	78 Å²	78	68.9 Å²	68.9	42%	0.417	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-40.2	175.6	-69.1	-24.9	0	0	0	112.4	V584 K585 L586 Q592	V584-D588 PolarHBondContact O-N 2.86Å; K585-D588 PolarHBondContact O-N 3.47Å; L586-D588 VanDerWaalsContact C-N 3.35Å; D588-Q592 WeakPolarHBondContact O-CG 3.3Å; D588-Q592 PolarHBondContact O-N 3.01Å; D588-Q592 PolarHBondContact O-NE2 3.11Å
589	I	82.4	Confident	80.2	Confident	15 Å²	15	68.7 Å²	68.7	8%	0.077	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-49.1	175.5	-68.7	162.2	0	0	0	110.3	K585 L586 F587 N591 Q592 I593 F607 Y631	K585-I589 WeakPolarHBondContact O-CD1 3.31Å; K585-I589 VanDerWaalsContact O-CG1 3.24Å; K585-I589 WeakPolarHBondContact O-CG1 3.47Å; K585-I589 PolarHBondContact O-N 3.14Å; L586-I589 PolarHBondContact O-N 3.22Å; F587-I589 VanDerWaalsContact C-N 3.34Å; F587-I589 PolarHBondContact O-N 2.77Å; I589-N591 VanDerWaalsContact C-N 3.34Å; I589-N591 PolarHBondContact O-N 3.06Å; I589-Q592 WeakPolarHBondContact O-CB 3.35Å; I589-Q592 PolarHBondContact O-N 2.99Å; I589-Q592 VanDerWaalsContact O-N 3.07Å; I589-I593 HydrophobicContact CG2-CD1 3.84Å; I589-I593 WeakPolarHBondContact O-CD1 3.42Å; I589-I593 WeakPolarHBondContact O-CG1 3.47Å; I589-I593 PolarHBondContact O-N 2.85Å; I589-F607 HydrophobicContact CD1-CB 4.34Å; I589-F607 HydrophobicContact CD1-CD1 4.39Å; I589-F607 HydrophobicContact CD1-CD2 3.68Å; I589-F607 HydrophobicContact CD1-CE2 4.08Å; I589-F607 HydrophobicContact CD1-CG 3.86Å; I589-Y631 HydrophobicContact CB-CE1 4.37Å; I589-Y631 HydrophobicContact CD1-CD1 3.88Å; I589-Y631 HydrophobicContact CD1-CE1 3.88Å; I589-Y631 HydrophobicContact CG1-CD1 4.24Å; I589-Y631 HydrophobicContact CG1-CE1 3.81Å; I589-Y631 HydrophobicContact CG2-CD1 3.72Å; I589-Y631 HydrophobicContact CG2-CE1 3.62Å; I589-Y631 HydrophobicContact CG2-CG 4.32Å
590	V	83.5	Confident	79.8	Confident	14 Å²	14	63.2 Å²	63.2	9%	0.085	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-39.4	-178.3	171.6	0	0	0	0	111.7	L586 F587 Q592 I593 C596 V600 L601	L586-V590 HydrophobicContact CD1-CG2 4.42Å; L586-V590 WeakPolarHBondContact O-CG2 3.27Å; L586-V590 PolarHBondContact O-N 3.24Å; F587-V590 PolarHBondContact O-N 3.46Å; V590-Q592 PolarHBondContact O-N 3.31Å; V590-I593 PolarHBondContact O-N 2.74Å; V590-C596 HydrophobicContact CG1-CB 4.01Å; V590-V600 HydrophobicContact CG2-CB 4.46Å; V590-V600 HydrophobicContact CG2-CG1 3.96Å; V590-L601 HydrophobicContact CB-CD1 4.44Å; V590-L601 HydrophobicContact CB-CD2 3.83Å; V590-L601 HydrophobicContact CB-CG 4.11Å; V590-L601 HydrophobicContact CG1-CD1 3.91Å; V590-L601 HydrophobicContact CG1-CD2 4.18Å; V590-L601 HydrophobicContact CG1-CG 3.9Å; V590-L601 HydrophobicContact CG2-CD2 3.56Å; V590-L601 HydrophobicContact CG2-CG 3.88Å
591	N	81.7	Confident	79.6	Confident	99 Å²	99	65 Å²	65	53%	0.529	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-21.5	175.5	-73.8	-27.7	0	0	0	113.6	F587 I589 I593	F587-N591 WeakPolarHBondContact CD1-ND2 3.34Å; F587-N591 WeakPolarHBondContact CE1-ND2 3.32Å; F587-N591 VanDerWaalsContact CZ-ND2 3.3Å; F587-N591 WeakPolarHBondContact CZ-ND2 3.14Å; F587-N591 WeakPolarHBondContact O-CB 3.09Å; F587-N591 VanDerWaalsContact O-CG 3.31Å; F587-N591 PolarHBondContact O-N 2.86Å; F587-N591 PolarHBondContact O-ND2 2.79Å; I589-N591 VanDerWaalsContact C-N 3.34Å; I589-N591 PolarHBondContact O-N 3.06Å; N591-I593 VanDerWaalsContact C-N 3.34Å
592	Q	81.1	Confident	79.5	Confident	97 Å²	97	62.6 Å²	62.6	45%	0.453	33%	0.325	S	S	.	.	H	α-helix	trans	-81.3	-14.1	175.2	-69.7	168.3	35.4	0	0	113	D588 I589 V590	D588-Q592 WeakPolarHBondContact O-CG 3.3Å; D588-Q592 PolarHBondContact O-N 3.01Å; D588-Q592 PolarHBondContact O-NE2 3.11Å; I589-Q592 WeakPolarHBondContact O-CB 3.35Å; I589-Q592 PolarHBondContact O-N 2.99Å; I589-Q592 VanDerWaalsContact O-N 3.07Å; V590-Q592 PolarHBondContact O-N 3.31Å
593	I	79.9	Confident	79.1	Confident	10 Å²	10	65.5 Å²	65.5	5%	0.051	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.5	-173.3	-57.4	160	0	0	0	110.5	I589 V590 N591 N595 C596 I640 H665	I589-I593 HydrophobicContact CG2-CD1 3.84Å; I589-I593 WeakPolarHBondContact O-CD1 3.42Å; I589-I593 WeakPolarHBondContact O-CG1 3.47Å; I589-I593 PolarHBondContact O-N 2.85Å; V590-I593 PolarHBondContact O-N 2.74Å; N591-I593 VanDerWaalsContact C-N 3.34Å; I593-N595 PolarHBondContact O-N 3.47Å; I593-C596 HydrophobicContact CB-CB 3.84Å; I593-C596 HydrophobicContact CG2-CB 3.71Å; I593-C596 PolarHBondContact O-N 3.24Å; I593-I640 HydrophobicContact CD1-CD1 3.24Å; I593-I640 HydrophobicContact CD1-CG1 3.99Å; I593-I640 HydrophobicContact CG1-CD1 3.64Å; I593-I640 HydrophobicContact CG1-CG1 4.18Å; I593-I640 HydrophobicContact CG2-CG1 4.29Å; I593-H665 HydrophobicContact CG2-CB 3.94Å
594	E	69.9	Low	78.9	Confident	66 Å²	66	68.5 Å²	68.5	31%	0.308	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.6	175.2	-159.2	-174.8	165.3	0	0	110.6	C596 R643 A661 Q663 H665	E594-C596 PolarHBondContact O-N 3.06Å; E594-R643 IonicContact OE1-NH1 3.72Å; E594-R643 PolarHBondContact OE1-NH1 2.88Å; E594-R643 IonicContact OE2-NH1 2.76Å; E594-R643 PolarHBondContact OE2-NH1 3.24Å; E594-A661 HydrophobicContact CB-CB 3.85Å; E594-A661 HydrophobicContact CG-CB 4.47Å; E594-Q663 WeakPolarHBondContact CB-O 3.35Å; E594-Q663 PolarHBondContact N-O 3.1Å; E594-H665 PolarHBondContact O-N 3.05Å
595	N	70.6	Confident	79	Confident	121 Å²	121	65 Å²	65	65%	0.647	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	31.4	-177.8	-51.9	-58.2	0	0	0	114	I593 P597	I593-N595 PolarHBondContact O-N 3.47Å; N595-P597 WeakPolarHBondContact O-CD 3.34Å
596	C	72.4	Confident	79.1	Confident	20 Å²	20	62.6 Å²	62.6	14%	0.135	33%	0.325	C	S	.	.			trans	-61.8	125.2	169.4	-163.4	0	0	0	0	109.2	V590 I593 E594 V600	V590-C596 HydrophobicContact CG1-CB 4.01Å; I593-C596 HydrophobicContact CB-CB 3.84Å; I593-C596 HydrophobicContact CG2-CB 3.71Å; I593-C596 PolarHBondContact O-N 3.24Å; E594-C596 PolarHBondContact O-N 3.06Å; C596-V600 VanDerWaalsContact SG-CB 3.6Å
597	P	74.2	Confident	79.2	Confident	18 Å²	18	65.3 Å²	65.3	12%	0.117	34%	0.336	C	S	.	.			trans	-60.6	141	177.9	-21.4	31.1	0	0	0	111.3	N595 Y599 V600	N595-P597 WeakPolarHBondContact O-CD 3.34Å; P597-Y599 HydrophobicContact CB-CD1 3.6Å; P597-Y599 HydrophobicContact CB-CD2 4.14Å; P597-Y599 HydrophobicContact CB-CE1 3.15Å; P597-Y599 HydrophobicContact CB-CE2 3.71Å; P597-Y599 HydrophobicContact CB-CG 4.08Å; P597-Y599 HydrophobicContact CG-CE1 3.97Å; P597-Y599 HydrophobicContact CG-CE2 4.11Å; P597-Y599 WeakPolarHBondContact CG-OH 3.34Å; P597-Y599 PolarHBondContact O-N 3.44Å; P597-Y599 VanDerWaalsContact O-N 3.14Å; P597-V600 HydrophobicContact CB-CG2 4.37Å; P597-V600 HydrophobicContact CG-CG2 4.47Å; P597-V600 WeakPolarHBondContact O-CB 3.17Å; P597-V600 WeakPolarHBondContact O-CG2 3.34Å; P597-V600 PolarHBondContact O-N 3.49Å
598	P	74.3	Confident	79.4	Confident	109 Å²	109	63 Å²	63	71%	0.708	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-63	-25.9	-175.7	23.9	-33.5	0	0	0	112.8	V600 L601	P598-V600 PolarHBondContact O-N 2.9Å; P598-V600 VanDerWaalsContact O-N 3.16Å; P598-L601 WeakPolarHBondContact O-CB 3.28Å; P598-L601 PolarHBondContact O-N 3.4Å; P598-L601 VanDerWaalsContact O-N 3.1Å
599	Y	78.6	Confident	79.6	Confident	138 Å²	138	60.5 Å²	60.5	54%	0.541	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-68.2	-7.2	174.3	60.1	-105.7	0	0	0	113.6	P597 L601 L668	P597-Y599 HydrophobicContact CB-CD1 3.6Å; P597-Y599 HydrophobicContact CB-CD2 4.14Å; P597-Y599 HydrophobicContact CB-CE1 3.15Å; P597-Y599 HydrophobicContact CB-CE2 3.71Å; P597-Y599 HydrophobicContact CB-CG 4.08Å; P597-Y599 HydrophobicContact CG-CE1 3.97Å; P597-Y599 HydrophobicContact CG-CE2 4.11Å; P597-Y599 WeakPolarHBondContact CG-OH 3.34Å; P597-Y599 PolarHBondContact O-N 3.44Å; P597-Y599 VanDerWaalsContact O-N 3.14Å; Y599-L601 VanDerWaalsContact C-N 3.25Å; Y599-L668 HydrophobicContact CD2-CD2 3.77Å; Y599-L668 HydrophobicContact CE2-CB 4.38Å; Y599-L668 HydrophobicContact CE2-CD2 3.55Å
600	V	76.3	Confident	80	Confident	1 Å²	1	65 Å²	65	1%	0.006	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-68.3	-31.8	170.3	-179.5	0	0	0	0	110.8	V590 C596 P597 P598 S602 R605 L668	V590-V600 HydrophobicContact CG2-CB 4.46Å; V590-V600 HydrophobicContact CG2-CG1 3.96Å; C596-V600 VanDerWaalsContact SG-CB 3.6Å; P597-V600 HydrophobicContact CB-CG2 4.37Å; P597-V600 HydrophobicContact CG-CG2 4.47Å; P597-V600 WeakPolarHBondContact O-CB 3.17Å; P597-V600 WeakPolarHBondContact O-CG2 3.34Å; P597-V600 PolarHBondContact O-N 3.49Å; P598-V600 PolarHBondContact O-N 2.9Å; P598-V600 VanDerWaalsContact O-N 3.16Å; V600-S602 PolarHBondContact O-N 3.01Å; V600-R605 WeakPolarHBondContact O-CD 3.3Å; V600-R605 PolarHBondContact O-NH1 3.41Å; V600-L668 HydrophobicContact CG2-CD1 4.32Å; V600-L668 HydrophobicContact CG2-CD2 4.35Å
601	L	79	Confident	80.3	Confident	72 Å²	72	64.9 Å²	64.9	38%	0.377	34%	0.338	S	S	.	.			trans	-80.6	102.9	170.8	-67.1	169.8	0	0	0	109.1	L586 F587 V590 P598 Y599	L586-L601 HydrophobicContact CD2-CD2 4.41Å; L586-L601 HydrophobicContact CG-CD2 4.08Å; F587-L601 HydrophobicContact CD2-CD1 4.48Å; F587-L601 HydrophobicContact CD2-CD2 4.47Å; V590-L601 HydrophobicContact CB-CD1 4.44Å; V590-L601 HydrophobicContact CB-CD2 3.83Å; V590-L601 HydrophobicContact CB-CG 4.11Å; V590-L601 HydrophobicContact CG1-CD1 3.91Å; V590-L601 HydrophobicContact CG1-CD2 4.18Å; V590-L601 HydrophobicContact CG1-CG 3.9Å; V590-L601 HydrophobicContact CG2-CD2 3.56Å; V590-L601 HydrophobicContact CG2-CG 3.88Å; P598-L601 WeakPolarHBondContact O-CB 3.28Å; P598-L601 PolarHBondContact O-N 3.4Å; P598-L601 VanDerWaalsContact O-N 3.1Å; Y599-L601 VanDerWaalsContact C-N 3.25Å
602	S	81.8	Confident	80.6	Confident	38 Å²	38	62.1 Å²	62.1	27%	0.266	32%	0.324	S	S	.	.			trans	-125.2	139.4	173.8	169.7	0	0	0	0	109.5	V600 H604 R605	V600-S602 PolarHBondContact O-N 3.01Å; S602-H604 PolarHBondContact O-N 3.43Å; S602-H604 PolarHBondContact OG-N 2.95Å; S602-R605 PolarHBondContact O-N 2.65Å; S602-R605 VanDerWaalsContact O-N 3.13Å
603	S	73.6	Confident	81	Confident	80 Å²	80	57.6 Å²	57.6	56%	0.559	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-27	177.2	53.7	0	0	0	0	112.8	Q583	Q583-S603 PolarHBondContact NE2-O 3.05Å; Q583-S603 VanDerWaalsContact NE2-O 3.11Å
604	H	79.4	Confident	81.4	Confident	146 Å²	146	58.8 Å²	58.8	68%	0.676	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-5.8	-178.1	-56.9	-64.1	0	0	0	113.8	S602 N634	S602-H604 PolarHBondContact O-N 3.43Å; S602-H604 PolarHBondContact OG-N 2.95Å; H604-N634 PolarHBondContact O-ND2 3.13Å
605	R	86.1	Confident	82.2	Confident	10 Å²	10	55.6 Å²	55.6	4%	0.038	30%	0.296	C	S	.	.			trans	-84.9	130.6	-175.6	-174.3	163.3	-68.7	161.5	4.5	111.3	L586 V600 S602 F633 N634 D635 C636	L586-R605 HydrophobicContact CD2-CB 4.05Å; L586-R605 HydrophobicContact CD2-CG 4.31Å; V600-R605 WeakPolarHBondContact O-CD 3.3Å; V600-R605 PolarHBondContact O-NH1 3.41Å; S602-R605 PolarHBondContact O-N 2.65Å; S602-R605 VanDerWaalsContact O-N 3.13Å; R605-F633 HydrophobicContact CG-CB 3.67Å; R605-F633 HydrophobicContact CG-CD1 3.59Å; R605-F633 HydrophobicContact CG-CD2 4.47Å; R605-F633 HydrophobicContact CG-CE1 4.36Å; R605-F633 HydrophobicContact CG-CG 3.67Å; R605-N634 WeakPolarHBondContact CA-OD1 3.32Å; R605-D635 IonicContact CZ-OD1 3.41Å; R605-D635 IonicContact CZ-OD2 2.73Å; R605-D635 IonicContact NE-OD1 3.62Å; R605-D635 PolarHBondContact NE-OD1 3.07Å; R605-D635 IonicContact NE-OD2 3.51Å; R605-D635 PolarHBondContact NE-OD2 3.09Å; R605-D635 IonicContact NH2-OD1 3.34Å; R605-D635 IonicContact NH2-OD2 3.77Å; R605-D635 PolarHBondContact NH2-OD2 3.15Å; R605-C636 PolarHBondContact NE-SG 3.42Å; R605-C636 PolarHBondContact NH2-SG 2.71Å; R605-C636 VanDerWaalsContact NH2-SG 3.36Å
606	Q	83.8	Confident	82.9	Confident	70 Å²	70	50 Å²	50	33%	0.327	27%	0.266	S	S	.	.			trans	-121.5	128.1	178	-66.6	-174.7	-21.5	0	0	110.2	F633 N634	Q606-F633 VanDerWaalsContact O-CA 3.27Å; Q606-F633 WeakPolarHBondContact O-CA 3.3Å; Q606-N634 PolarHBondContact N-OD1 3.49Å; Q606-N634 PolarHBondContact O-N 3.02Å
607	F	87.2	Confident	83.2	Confident	60 Å²	60	49.4 Å²	49.4	26%	0.263	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	130.4	172.4	175.8	-107.7	0	0	0	110.6	I589 A609 H610 Y631 F633	I589-F607 HydrophobicContact CD1-CB 4.34Å; I589-F607 HydrophobicContact CD1-CD1 4.39Å; I589-F607 HydrophobicContact CD1-CD2 3.68Å; I589-F607 HydrophobicContact CD1-CE2 4.08Å; I589-F607 HydrophobicContact CD1-CG 3.86Å; F607-A609 VanDerWaalsContact CE2-O 3.24Å; F607-A609 WeakPolarHBondContact CE2-O 3.35Å; F607-A609 VanDerWaalsContact CZ-C 3.4Å; F607-H610 HydrophobicContact CE2-CB 4.01Å; F607-H610 HydrophobicContact CZ-CB 4Å; F607-H610 AromaticContact CZ-ND1 3.72Å; F607-Y631 HydrophobicContact CD2-CD1 4.06Å; F607-Y631 AromaticContact CE2-CD1 3.51Å; F607-Y631 HydrophobicContact CE2-CD1 3.51Å; F607-Y631 HydrophobicContact CE2-CE1 4.21Å; F607-Y631 HydrophobicContact CE2-CG 4.41Å; F607-Y631 HydrophobicContact CZ-CD1 4.39Å; F607-F633 HydrophobicContact CB-CD1 4.22Å; F607-F633 HydrophobicContact CB-CE1 4.07Å; F607-F633 HydrophobicContact CD2-CD1 4.42Å; F607-F633 AromaticContact CD2-CE1 3.99Å; F607-F633 HydrophobicContact CD2-CE1 3.99Å
608	I	87.5	Confident	83.4	Confident	61 Å²	61	53.4 Å²	53.4	31%	0.313	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-55.7	-179.8	-63.2	164.5	0	0	0	110.6	L632 N634 Q725	I608-L632 HydrophobicContact CB-CD2 4.37Å; I608-L632 HydrophobicContact CB-CG 4.23Å; I608-L632 WeakPolarHBondContact CB-O 3.4Å; I608-L632 HydrophobicContact CD1-CG 4.23Å; I608-L632 HydrophobicContact CG2-CD2 4.11Å; I608-L632 PolarHBondContact N-O 3.18Å; I608-N634 HydrophobicContact CD1-CB 4.26Å; I608-Q725 HydrophobicContact CD1-CG 3.43Å; I608-Q725 VanDerWaalsContact CD1-CG 3.43Å
609	A	89.4	Confident	83.3	Confident	26 Å²	26	49.5 Å²	49.5	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	160.6	-175.3	0	0	0	0	0	110.5	F607 L632 F718	F607-A609 VanDerWaalsContact CE2-O 3.24Å; F607-A609 WeakPolarHBondContact CE2-O 3.35Å; F607-A609 VanDerWaalsContact CZ-C 3.4Å; A609-L632 PolarHBondContact N-O 2.89Å; A609-L632 WeakPolarHBondContact O-CB 3.23Å; A609-L632 PolarHBondContact O-N 3.45Å; A609-F718 HydrophobicContact CB-CD2 3.98Å; A609-F718 HydrophobicContact CB-CE2 4.09Å
610	H	89.1	Confident	83.1	Confident	108 Å²	108	48.1 Å²	48.1	50%	0.5	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.4	168	73	-78.2	0	0	0	110.4	F607 F630 Y631	F607-H610 HydrophobicContact CE2-CB 4.01Å; F607-H610 HydrophobicContact CZ-CB 4Å; F607-H610 AromaticContact CZ-ND1 3.72Å; H610-F630 CarbonylContact C-O 3.59Å; H610-F630 WeakPolarHBondContact CA-O 3.32Å; H610-F630 WeakPolarHBondContact CB-O 3.37Å; H610-Y631 HydrophobicContact CB-CD1 3.79Å; H610-Y631 HydrophobicContact CB-CD2 4.4Å; H610-Y631 HydrophobicContact CB-CE1 3.88Å; H610-Y631 HydrophobicContact CB-CG 4.07Å
611	V	89.8	Confident	83.1	Confident	12 Å²	12	48.8 Å²	48.8	7%	0.073	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	138.7	175.5	67.2	0	0	0	0	111.3	T613 T629 F630 M706 F718	V611-T613 HydrophobicContact CG1-CG2 3.91Å; V611-T613 HydrophobicContact CG2-CG2 4.31Å; V611-T629 CarbonylContact O-C 3.56Å; V611-T629 WeakPolarHBondContact O-CA 3.44Å; V611-F630 HydrophobicContact CG1-CB 3.96Å; V611-F630 HydrophobicContact CG1-CD2 4.42Å; V611-F630 PolarHBondContact N-O 3.12Å; V611-F630 PolarHBondContact O-N 3.1Å; V611-M706 HydrophobicContact CG1-CE 4.41Å; V611-M706 HydrophobicContact CG2-CB 4.4Å; V611-M706 HydrophobicContact CG2-CE 4.21Å; V611-M706 HydrophobicContact CG2-CG 4.03Å; V611-M706 HydrophobicContact CG2-SD 3.86Å; V611-F718 HydrophobicContact CB-CD2 4.41Å; V611-F718 HydrophobicContact CB-CE1 4.44Å; V611-F718 HydrophobicContact CB-CE2 4.27Å; V611-F718 HydrophobicContact CB-CZ 4.29Å; V611-F718 HydrophobicContact CG1-CD1 3.92Å; V611-F718 HydrophobicContact CG1-CD2 4.27Å; V611-F718 HydrophobicContact CG1-CE1 3.4Å; V611-F718 HydrophobicContact CG1-CE2 3.82Å; V611-F718 HydrophobicContact CG1-CG 4.32Å; V611-F718 HydrophobicContact CG1-CZ 3.36Å
612	D	89.3	Confident	83.1	Confident	42 Å²	42	45.5 Å²	45.5	23%	0.225	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.8	172.4	-80	-12.8	0	0	0	110.8	T629 K642 N707	D612-T629 WeakPolarHBondContact OD1-CB 3.22Å; D612-T629 VanDerWaalsContact OD1-CG2 3.26Å; D612-T629 WeakPolarHBondContact OD1-CG2 3.34Å; D612-T629 PolarHBondContact OD1-OG1 3.32Å; D612-K642 IonicContact OD1-NZ 2.76Å; D612-K642 IonicContact OD2-NZ 3.81Å; D612-K642 PolarHBondContact OD2-NZ 3.45Å; D612-N707 VanDerWaalsContact CB-ND2 3.27Å; D612-N707 WeakPolarHBondContact CB-ND2 3.48Å; D612-N707 PolarHBondContact O-N 2.81Å
613	T	88.4	Confident	83	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.6	-173.3	66	0	0	0	0	112.3	V611 C628 F630 F689 Q705 M706	V611-T613 HydrophobicContact CG1-CG2 3.91Å; V611-T613 HydrophobicContact CG2-CG2 4.31Å; T613-C628 CarbonylContact C-O 3.39Å; T613-C628 WeakPolarHBondContact CA-O 3.46Å; T613-C628 PolarHBondContact N-O 2.82Å; T613-C628 PolarHBondContact O-N 3.11Å; T613-C628 PolarHBondContact OG1-O 2.98Å; T613-F630 HydrophobicContact CG2-CD2 3.71Å; T613-F630 HydrophobicContact CG2-CE2 4.03Å; T613-F630 WeakPolarHBondContact OG1-CD2 3.42Å; T613-F630 WeakPolarHBondContact OG1-CE2 3.47Å; T613-F689 HydrophobicContact CG2-CE1 3.92Å; T613-F689 HydrophobicContact CG2-CZ 3.98Å; T613-Q705 CarbonylContact C-O 3Å; T613-Q705 VanDerWaalsContact CA-O 3.25Å; T613-Q705 WeakPolarHBondContact CA-O 3.36Å; T613-M706 HydrophobicContact CG2-CG 4.16Å
614	T	88.1	Confident	83.4	Confident	34 Å²	34	51 Å²	51	21%	0.209	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.3	170.4	-57.7	0	0	0	0	109.6	L616 M626 F704 Q705	T614-L616 HydrophobicContact CG2-CD2 4.44Å; T614-M626 WeakPolarHBondContact CA-O 3.33Å; T614-F704 WeakPolarHBondContact O-CA 3.37Å; T614-Q705 PolarHBondContact N-O 3.26Å; T614-Q705 PolarHBondContact O-N 2.95Å
615	A	87.6	Confident	83.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.2	175.8	0	0	0	0	0	111.1	T622 G625 M626 F704	A615-T622 HydrophobicContact CB-CG2 4.22Å; A615-G625 PolarHBondContact O-N 3.19Å; A615-M626 HydrophobicContact CB-CB 4.43Å; A615-M626 PolarHBondContact N-O 3.17Å; A615-F704 HydrophobicContact CB-CD1 4.07Å; A615-F704 HydrophobicContact CB-CE1 3.91Å
616	L	84.7	Confident	83.3	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	25%	0.248	C	C	.	.			trans	-109.1	-19.9	-178.9	-55.6	178.7	0	0	0	113.2	T614 K624 L688 T703 Q705 A758 Y761 C762	T614-L616 HydrophobicContact CG2-CD2 4.44Å; L616-K624 WeakPolarHBondContact O-CG 3.48Å; L616-L688 HydrophobicContact CD1-CD2 3.27Å; L616-T703 WeakPolarHBondContact CB-O 3.36Å; L616-T703 HydrophobicContact CD1-CG2 4.44Å; L616-T703 PolarHBondContact N-O 3.11Å; L616-Q705 HydrophobicContact CD1-CB 3.95Å; L616-Q705 HydrophobicContact CG-CB 4.33Å; L616-A758 HydrophobicContact CB-CB 3.65Å; L616-A758 HydrophobicContact CD1-CB 4.09Å; L616-Y761 HydrophobicContact CD2-CD1 3.85Å; L616-Y761 HydrophobicContact CD2-CE1 4.1Å; L616-C762 WeakPolarHBondContact CD1-SG 3.28Å
617	S	79.9	Confident	83.4	Confident	7 Å²	7	48.1 Å²	48.1	5%	0.049	26%	0.257	C	S	.	.	S	Bend	trans	-92.7	156.5	172.2	61.2	0	0	0	0	111.4	K624 Y702 T703	S617-K624 PolarHBondContact O-N 2.78Å; S617-Y702 WeakPolarHBondContact OG-CA 3.11Å; S617-T703 PolarHBondContact N-O 2.79Å; S617-T703 PolarHBondContact OG-N 3.01Å; S617-T703 VanDerWaalsContact OG-N 3.15Å
618	N	78.4	Confident	83.4	Confident	102 Å²	102	45.4 Å²	45.4	55%	0.545	25%	0.245	S	C	.	.			trans	-93.4	130.6	164.5	-84.4	-22.8	0	0	0	107.7	K624	N618-K624 WeakPolarHBondContact OD1-CB 3.29Å; N618-K624 PolarHBondContact OD1-N 3.4Å
619	G	72.5	Confident	83.5	Confident	27 Å²	27	42.5 Å²	42.5	28%	0.278	23%	0.231	S	C	.	.			trans	-158.4	178.2	168.7	0	0	0	0	0	111.6	L621 T622	G619-L621 PolarHBondContact O-N 2.64Å; G619-T622 PolarHBondContact N-O 3.1Å; G619-T622 PolarHBondContact O-N 2.98Å
620	P	73.6	Confident	83.6	Confident	108 Å²	108	41.3 Å²	41.3	70%	0.701	22%	0.221	S	C	*	.	S	Bend	trans	-53.1	-39.1	176.8	-26.8	32.2	0	0	0	113.4	Y702	P620-Y702 WeakPolarHBondContact CD-OH 3.37Å
621	L	75.3	Confident	83.6	Confident	16 Å²	16	36.9 Å²	36.9	8%	0.084	20%	0.199	C	C	.	.	S	Bend	trans	-74.3	-44.7	-177.4	-178.2	68	0	0	0	113	G619 V666 D667 L669 I693 Y702	G619-L621 PolarHBondContact O-N 2.64Å; L621-V666 HydrophobicContact CD1-CG1 4.25Å; L621-V666 WeakPolarHBondContact O-CG1 3.24Å; L621-D667 HydrophobicContact CD1-CB 3.24Å; L621-D667 WeakPolarHBondContact CD1-OD2 3.48Å; L621-L669 HydrophobicContact CD1-CD2 4.38Å; L621-L669 HydrophobicContact CD2-CD1 4Å; L621-L669 HydrophobicContact CD2-CD2 4.48Å; L621-I693 HydrophobicContact CD2-CD1 3.96Å; L621-Y702 HydrophobicContact CB-CD1 4.46Å; L621-Y702 HydrophobicContact CB-CE1 3.61Å; L621-Y702 HydrophobicContact CB-CE2 4.42Å; L621-Y702 WeakPolarHBondContact CB-OH 3.32Å; L621-Y702 HydrophobicContact CD2-CE1 4.46Å; L621-Y702 PolarHBondContact N-OH 3.14Å
622	T	80.1	Confident	83.7	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.012	20%	0.196	C	C	.	.			trans	-138.1	141.9	-171	61.8	0	0	0	0	112.7	A615 G619 M626 F704	A615-T622 HydrophobicContact CB-CG2 4.22Å; G619-T622 PolarHBondContact N-O 3.1Å; G619-T622 PolarHBondContact O-N 2.98Å; T622-M626 HydrophobicContact CG2-CE 3.45Å; T622-M626 VanDerWaalsContact CG2-CE 3.45Å; T622-F704 HydrophobicContact CG2-CE1 4.05Å; T622-F704 HydrophobicContact CG2-CZ 4.37Å
623	K	80.2	Confident	83.7	Confident	162 Å²	162	34.3 Å²	34.3	70%	0.704	19%	0.185	S	C	*	.			trans	-86.6	143.6	169.3	-65.8	-179.9	-177.3	179.9	0	110.2	G625 M626	K623-G625 PolarHBondContact O-N 3.06Å; K623-M626 WeakPolarHBondContact O-CB 3.38Å; K623-M626 PolarHBondContact O-N 2.99Å
624	K	80.8	Confident	83.7	Confident	72 Å²	72	36 Å²	36	31%	0.313	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	125.8	174	-179.2	175.1	-171.1	-164.6	0	111.1	L616 S617 N618 Y761	L616-K624 WeakPolarHBondContact O-CG 3.48Å; S617-K624 PolarHBondContact O-N 2.78Å; N618-K624 WeakPolarHBondContact OD1-CB 3.29Å; N618-K624 PolarHBondContact OD1-N 3.4Å; K624-Y761 HydrophobicContact CD-CD2 4.27Å; K624-Y761 HydrophobicContact CD-CE2 4.34Å; K624-Y761 HydrophobicContact CD-CG 4.31Å; K624-Y761 HydrophobicContact CG-CD1 4.14Å; K624-Y761 HydrophobicContact CG-CD2 4.5Å; K624-Y761 HydrophobicContact CG-CE1 3.95Å; K624-Y761 HydrophobicContact CG-CE2 4.26Å; K624-Y761 HydrophobicContact CG-CG 4.39Å
625	G	79.9	Confident	83.7	Confident	17 Å²	17	36.2 Å²	36.2	18%	0.175	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	9.2	-175.7	0	0	0	0	0	115.4	A615 K623	A615-G625 PolarHBondContact O-N 3.19Å; K623-G625 PolarHBondContact O-N 3.06Å
626	M	83.7	Confident	83.9	Confident	37 Å²	37	36.2 Å²	36.2	18%	0.182	19%	0.194	C	C	.	.			trans	-78.7	127.2	175.5	-170.9	169.4	83.3	0	0	110.8	T614 A615 T622 K623 C628 T641 V666	T614-M626 WeakPolarHBondContact CA-O 3.33Å; A615-M626 HydrophobicContact CB-CB 4.43Å; A615-M626 PolarHBondContact N-O 3.17Å; T622-M626 HydrophobicContact CG2-CE 3.45Å; T622-M626 VanDerWaalsContact CG2-CE 3.45Å; K623-M626 WeakPolarHBondContact O-CB 3.38Å; K623-M626 PolarHBondContact O-N 2.99Å; M626-C628 WeakPolarHBondContact CE-SG 3.15Å; M626-C628 PolarHBondContact O-SG 2.88Å; M626-C628 VanDerWaalsContact O-SG 3.39Å; M626-T641 WeakPolarHBondContact CG-OG1 3.25Å; M626-V666 HydrophobicContact CE-CG1 4.2Å; M626-V666 HydrophobicContact CE-CG2 4.14Å
627	E	85.8	Confident	84.1	Confident	112 Å²	112	36 Å²	36	52%	0.523	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	123.8	169.1	-68.6	-178.3	-177	0	0	109.3	T641 K642	E627-T641 WeakPolarHBondContact O-CA 3.31Å; E627-T641 PolarHBondContact O-OG1 2.95Å; E627-K642 PolarHBondContact O-N 3.13Å
628	C	88.1	Confident	84.6	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.2	-175.4	-47.5	0	0	0	0	110.3	T613 M626 V639 I640	T613-C628 CarbonylContact C-O 3.39Å; T613-C628 WeakPolarHBondContact CA-O 3.46Å; T613-C628 PolarHBondContact N-O 2.82Å; T613-C628 PolarHBondContact O-N 3.11Å; T613-C628 PolarHBondContact OG1-O 2.98Å; M626-C628 WeakPolarHBondContact CE-SG 3.15Å; M626-C628 PolarHBondContact O-SG 2.88Å; M626-C628 VanDerWaalsContact O-SG 3.39Å; C628-V639 HydrophobicContact CB-CG1 4.25Å; C628-I640 CarbonylContact C-O 3.57Å; C628-I640 WeakPolarHBondContact CA-O 3.41Å
629	T	89.1	Confident	85.1	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.9	167.7	-52.3	0	0	0	0	108	V611 D612 Y631 I640	V611-T629 CarbonylContact O-C 3.56Å; V611-T629 WeakPolarHBondContact O-CA 3.44Å; D612-T629 WeakPolarHBondContact OD1-CB 3.22Å; D612-T629 VanDerWaalsContact OD1-CG2 3.26Å; D612-T629 WeakPolarHBondContact OD1-CG2 3.34Å; D612-T629 PolarHBondContact OD1-OG1 3.32Å; T629-Y631 HydrophobicContact CG2-CD2 3.87Å; T629-Y631 HydrophobicContact CG2-CE2 3.4Å; T629-Y631 VanDerWaalsContact CG2-CE2 3.4Å; T629-I640 PolarHBondContact N-O 3.15Å; T629-I640 PolarHBondContact O-N 3.34Å
630	F	90.2	Very high	85.8	Confident	1 Å²	1	29.6 Å²	29.6	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.3	172	-76.3	-78.3	0	0	0	109.4	H610 V611 T613 L637 E638 V639 F689 F704 F718	H610-F630 CarbonylContact C-O 3.59Å; H610-F630 WeakPolarHBondContact CA-O 3.32Å; H610-F630 WeakPolarHBondContact CB-O 3.37Å; V611-F630 HydrophobicContact CG1-CB 3.96Å; V611-F630 HydrophobicContact CG1-CD2 4.42Å; V611-F630 PolarHBondContact N-O 3.12Å; V611-F630 PolarHBondContact O-N 3.1Å; T613-F630 HydrophobicContact CG2-CD2 3.71Å; T613-F630 HydrophobicContact CG2-CE2 4.03Å; T613-F630 WeakPolarHBondContact OG1-CD2 3.42Å; T613-F630 WeakPolarHBondContact OG1-CE2 3.47Å; F630-L637 HydrophobicContact CB-CD1 4.03Å; F630-L637 HydrophobicContact CD1-CD1 3.9Å; F630-L637 HydrophobicContact CD1-CD2 3.67Å; F630-L637 HydrophobicContact CD1-CG 3.7Å; F630-L637 HydrophobicContact CE1-CD2 3.89Å; F630-L637 HydrophobicContact CE1-CG 4.32Å; F630-L637 HydrophobicContact CG-CD1 4.38Å; F630-E638 CarbonylContact C-O 3.53Å; F630-E638 WeakPolarHBondContact CA-O 3.29Å; F630-V639 HydrophobicContact CD1-CG1 4.48Å; F630-V639 HydrophobicContact CD1-CG2 3.78Å; F630-V639 HydrophobicContact CE1-CB 4.36Å; F630-V639 HydrophobicContact CE1-CG1 4.11Å; F630-V639 HydrophobicContact CE1-CG2 3.48Å; F630-V639 VanDerWaalsContact CE1-CG2 3.48Å; F630-V639 HydrophobicContact CZ-CG1 4.45Å; F630-V639 HydrophobicContact CZ-CG2 4.47Å; F630-F689 HydrophobicContact CE2-CZ 4.29Å; F630-F704 AromaticContact CE2-CD1 3.93Å; F630-F704 HydrophobicContact CE2-CD1 3.93Å; F630-F704 HydrophobicContact CE2-CD2 4.36Å; F630-F704 AromaticContact CE2-CE1 4Å; F630-F704 HydrophobicContact CE2-CE1 4Å; F630-F704 HydrophobicContact CE2-CE2 4.39Å; F630-F704 HydrophobicContact CE2-CG 4.13Å; F630-F704 HydrophobicContact CE2-CZ 4.24Å; F630-F704 HydrophobicContact CZ-CD1 4.11Å; F630-F704 HydrophobicContact CZ-CD2 4.22Å; F630-F704 AromaticContact CZ-CE1 3.73Å; F630-F704 HydrophobicContact CZ-CE1 3.73Å; F630-F704 AromaticContact CZ-CE2 3.82Å; F630-F704 HydrophobicContact CZ-CE2 3.82Å; F630-F704 HydrophobicContact CZ-CG 4.36Å; F630-F704 AromaticContact CZ-CZ 3.59Å; F630-F704 HydrophobicContact CZ-CZ 3.59Å; F630-F718 HydrophobicContact CB-CZ 4.27Å
631	Y	89.4	Confident	86.3	Confident	14 Å²	14	25.7 Å²	25.7	6%	0.055	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.3	167.3	-74.4	-105.1	0	0	0	108.5	I589 F607 H610 T629 E638 I640	I589-Y631 HydrophobicContact CB-CE1 4.37Å; I589-Y631 HydrophobicContact CD1-CD1 3.88Å; I589-Y631 HydrophobicContact CD1-CE1 3.88Å; I589-Y631 HydrophobicContact CG1-CD1 4.24Å; I589-Y631 HydrophobicContact CG1-CE1 3.81Å; I589-Y631 HydrophobicContact CG2-CD1 3.72Å; I589-Y631 HydrophobicContact CG2-CE1 3.62Å; I589-Y631 HydrophobicContact CG2-CG 4.32Å; F607-Y631 HydrophobicContact CD2-CD1 4.06Å; F607-Y631 AromaticContact CE2-CD1 3.51Å; F607-Y631 HydrophobicContact CE2-CD1 3.51Å; F607-Y631 HydrophobicContact CE2-CE1 4.21Å; F607-Y631 HydrophobicContact CE2-CG 4.41Å; F607-Y631 HydrophobicContact CZ-CD1 4.39Å; H610-Y631 HydrophobicContact CB-CD1 3.79Å; H610-Y631 HydrophobicContact CB-CD2 4.4Å; H610-Y631 HydrophobicContact CB-CE1 3.88Å; H610-Y631 HydrophobicContact CB-CG 4.07Å; T629-Y631 HydrophobicContact CG2-CD2 3.87Å; T629-Y631 HydrophobicContact CG2-CE2 3.4Å; T629-Y631 VanDerWaalsContact CG2-CE2 3.4Å; Y631-E638 PolarHBondContact N-O 3.34Å; Y631-E638 PolarHBondContact O-N 3.24Å; Y631-I640 HydrophobicContact CD2-CD1 3.32Å; Y631-I640 HydrophobicContact CE2-CD1 3.41Å; Y631-I640 VanDerWaalsContact CE2-CD1 3.41Å; Y631-I640 HydrophobicContact CG-CD1 4.3Å
632	L	91.9	Very high	86.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.3	177.2	178.2	62.6	0	0	0	109.3	I608 A609 L637 M671 F718 I722 Q725	I608-L632 HydrophobicContact CB-CD2 4.37Å; I608-L632 HydrophobicContact CB-CG 4.23Å; I608-L632 WeakPolarHBondContact CB-O 3.4Å; I608-L632 HydrophobicContact CD1-CG 4.23Å; I608-L632 HydrophobicContact CG2-CD2 4.11Å; I608-L632 PolarHBondContact N-O 3.18Å; A609-L632 PolarHBondContact N-O 2.89Å; A609-L632 WeakPolarHBondContact O-CB 3.23Å; A609-L632 PolarHBondContact O-N 3.45Å; L632-L637 HydrophobicContact CB-CD1 4.09Å; L632-L637 HydrophobicContact CD1-CD1 4.14Å; L632-M671 HydrophobicContact CD1-CE 3.56Å; L632-F718 HydrophobicContact CB-CE2 4.03Å; L632-F718 HydrophobicContact CB-CZ 4.39Å; L632-F718 HydrophobicContact CD2-CE2 4.35Å; L632-I722 HydrophobicContact CD1-CG1 4.18Å; L632-I722 HydrophobicContact CD2-CG1 4.08Å; L632-Q725 HydrophobicContact CD1-CG 4.36Å
633	F	90.2	Very high	85.7	Confident	1 Å²	1	35.6 Å²	35.6	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	169.4	168.2	-55.7	-75.1	0	0	0	110.7	L586 R605 Q606 F607 D635 C636 E638	L586-F633 HydrophobicContact CD1-CD1 4.18Å; L586-F633 HydrophobicContact CD1-CE1 3.36Å; L586-F633 HydrophobicContact CD1-CZ 3.72Å; R605-F633 HydrophobicContact CG-CB 3.67Å; R605-F633 HydrophobicContact CG-CD1 3.59Å; R605-F633 HydrophobicContact CG-CD2 4.47Å; R605-F633 HydrophobicContact CG-CE1 4.36Å; R605-F633 HydrophobicContact CG-CG 3.67Å; Q606-F633 VanDerWaalsContact O-CA 3.27Å; Q606-F633 WeakPolarHBondContact O-CA 3.3Å; F607-F633 HydrophobicContact CB-CD1 4.22Å; F607-F633 HydrophobicContact CB-CE1 4.07Å; F607-F633 HydrophobicContact CD2-CD1 4.42Å; F607-F633 AromaticContact CD2-CE1 3.99Å; F607-F633 HydrophobicContact CD2-CE1 3.99Å; F633-D635 VanDerWaalsContact C-N 3.27Å; F633-D635 PolarHBondContact O-N 3.18Å; F633-C636 CarbonylContact C-O 3.57Å; F633-C636 WeakPolarHBondContact CA-O 3.31Å; F633-C636 WeakPolarHBondContact CB-O 3.49Å; F633-C636 PolarHBondContact N-O 3.01Å; F633-E638 HydrophobicContact CD2-CB 4.15Å; F633-E638 HydrophobicContact CE2-CB 3.58Å; F633-E638 HydrophobicContact CE2-CG 4.34Å
634	N	88.8	Confident	84.6	Confident	37 Å²	37	38.3 Å²	38.3	20%	0.198	17%	0.17	C	C	.	.	S	Bend	trans	-61.7	-31.6	177.7	57.7	-25.4	0	0	0	113.6	H604 R605 Q606 I608 Q725 T729	H604-N634 PolarHBondContact O-ND2 3.13Å; R605-N634 WeakPolarHBondContact CA-OD1 3.32Å; Q606-N634 PolarHBondContact N-OD1 3.49Å; Q606-N634 PolarHBondContact O-N 3.02Å; I608-N634 HydrophobicContact CD1-CB 4.26Å; N634-Q725 PolarHBondContact O-OE1 3.41Å; N634-T729 PolarHBondContact O-OG1 3.08Å
635	D	88.4	Confident	83.2	Confident	39 Å²	39	40.6 Å²	40.6	21%	0.209	19%	0.189	C	C	.	.	S	Bend	trans	-111.8	-19.4	-173.9	64.2	-30.3	0	0	0	114.4	R605 F633 M671	R605-D635 IonicContact CZ-OD1 3.41Å; R605-D635 IonicContact CZ-OD2 2.73Å; R605-D635 IonicContact NE-OD1 3.62Å; R605-D635 PolarHBondContact NE-OD1 3.07Å; R605-D635 IonicContact NE-OD2 3.51Å; R605-D635 PolarHBondContact NE-OD2 3.09Å; R605-D635 IonicContact NH2-OD1 3.34Å; R605-D635 IonicContact NH2-OD2 3.77Å; R605-D635 PolarHBondContact NH2-OD2 3.15Å; F633-D635 VanDerWaalsContact C-N 3.27Å; F633-D635 PolarHBondContact O-N 3.18Å; D635-M671 VanDerWaalsContact C-CG 3.48Å; D635-M671 VanDerWaalsContact O-CG 3.24Å; D635-M671 WeakPolarHBondContact O-CG 3.35Å; D635-M671 PolarHBondContact O-N 3.21Å
636	C	89.9	Confident	81.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	165.6	-175.6	63.5	0	0	0	0	113.3	R605 F633 L668 L669 M671	R605-C636 PolarHBondContact NE-SG 3.42Å; R605-C636 PolarHBondContact NH2-SG 2.71Å; R605-C636 VanDerWaalsContact NH2-SG 3.36Å; F633-C636 CarbonylContact C-O 3.57Å; F633-C636 WeakPolarHBondContact CA-O 3.31Å; F633-C636 WeakPolarHBondContact CB-O 3.49Å; F633-C636 PolarHBondContact N-O 3.01Å; C636-L668 HydrophobicContact CB-CD1 3.98Å; C636-L668 HydrophobicContact CB-CG 4.19Å; C636-L668 VanDerWaalsContact SG-CD1 3.53Å; C636-L669 CarbonylContact C-O 3.48Å; C636-L669 VanDerWaalsContact CA-O 3.25Å; C636-L669 WeakPolarHBondContact CA-O 3.13Å; C636-L669 WeakPolarHBondContact CB-O 3.41Å; C636-M671 VanDerWaalsContact CA-CE 3.5Å; C636-M671 VanDerWaalsContact O-CE 3.27Å; C636-M671 WeakPolarHBondContact O-CE 3.48Å
637	L	90.8	Very high	79.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	110.6	176.3	-179.6	67.8	0	0	0	108	F630 L632 L669 M671 I674 L691	F630-L637 HydrophobicContact CB-CD1 4.03Å; F630-L637 HydrophobicContact CD1-CD1 3.9Å; F630-L637 HydrophobicContact CD1-CD2 3.67Å; F630-L637 HydrophobicContact CD1-CG 3.7Å; F630-L637 HydrophobicContact CE1-CD2 3.89Å; F630-L637 HydrophobicContact CE1-CG 4.32Å; F630-L637 HydrophobicContact CG-CD1 4.38Å; L632-L637 HydrophobicContact CB-CD1 4.09Å; L632-L637 HydrophobicContact CD1-CD1 4.14Å; L637-L669 HydrophobicContact CB-CB 4.29Å; L637-L669 HydrophobicContact CD2-CD1 4.37Å; L637-L669 PolarHBondContact N-O 2.78Å; L637-L669 WeakPolarHBondContact O-CB 3.42Å; L637-L669 PolarHBondContact O-N 3.37Å; L637-M671 HydrophobicContact CB-CE 3.87Å; L637-I674 HydrophobicContact CD2-CD1 4.19Å; L637-L691 HydrophobicContact CD2-CD1 4.24Å
638	E	88.6	Confident	77.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.1	-179.9	170.6	69.7	178.9	0	0	110	F630 Y631 F633 I640 H665 L668	F630-E638 CarbonylContact C-O 3.53Å; F630-E638 WeakPolarHBondContact CA-O 3.29Å; Y631-E638 PolarHBondContact N-O 3.34Å; Y631-E638 PolarHBondContact O-N 3.24Å; F633-E638 HydrophobicContact CD2-CB 4.15Å; F633-E638 HydrophobicContact CE2-CB 3.58Å; F633-E638 HydrophobicContact CE2-CG 4.34Å; E638-I640 HydrophobicContact CG-CD1 3.87Å; E638-I640 HydrophobicContact CG-CG1 3.96Å; E638-H665 IonicContact OE1-CE1 3.58Å; E638-H665 PolarHBondContact OE1-CE1 3.29Å; E638-H665 IonicContact OE1-CG 2.88Å; E638-H665 IonicContact OE1-ND1 3.73Å; E638-H665 PolarHBondContact OE1-ND1 3.01Å; E638-H665 IonicContact OE2-CE1 3.74Å; E638-H665 PolarHBondContact OE2-CE1 3.12Å; E638-H665 IonicContact OE2-ND1 3.04Å; E638-H665 PolarHBondContact OE2-ND1 2.75Å; E638-L668 HydrophobicContact CB-CD1 3.95Å; E638-L668 WeakPolarHBondContact OE2-CD1 3.41Å
639	V	89	Confident	75.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.6	-179.3	-168.3	0	0	0	0	109	C628 F630 V666 D667 L669	C628-V639 HydrophobicContact CB-CG1 4.25Å; F630-V639 HydrophobicContact CD1-CG1 4.48Å; F630-V639 HydrophobicContact CD1-CG2 3.78Å; F630-V639 HydrophobicContact CE1-CB 4.36Å; F630-V639 HydrophobicContact CE1-CG1 4.11Å; F630-V639 HydrophobicContact CE1-CG2 3.48Å; F630-V639 VanDerWaalsContact CE1-CG2 3.48Å; F630-V639 HydrophobicContact CZ-CG1 4.45Å; F630-V639 HydrophobicContact CZ-CG2 4.47Å; V639-V666 HydrophobicContact CB-CB 4.28Å; V639-V666 HydrophobicContact CG1-CB 4.2Å; V639-V666 HydrophobicContact CG1-CG1 4.5Å; V639-V666 WeakPolarHBondContact O-CA 3.26Å; V639-V666 VanDerWaalsContact O-CB 3.28Å; V639-V666 WeakPolarHBondContact O-CB 3.48Å; V639-V666 PolarHBondContact O-N 3.46Å; V639-D667 PolarHBondContact N-O 2.88Å; V639-D667 PolarHBondContact O-N 2.8Å; V639-L669 HydrophobicContact CG2-CD1 3.81Å; V639-L669 HydrophobicContact CG2-CG 4.23Å
640	I	87.5	Confident	72.7	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.4	-177.1	-66.5	152.9	0	0	0	108.6	I593 C628 T629 Y631 E638 Q663 K664	I593-I640 HydrophobicContact CD1-CD1 3.24Å; I593-I640 HydrophobicContact CD1-CG1 3.99Å; I593-I640 HydrophobicContact CG1-CD1 3.64Å; I593-I640 HydrophobicContact CG1-CG1 4.18Å; I593-I640 HydrophobicContact CG2-CG1 4.29Å; C628-I640 CarbonylContact C-O 3.57Å; C628-I640 WeakPolarHBondContact CA-O 3.41Å; T629-I640 PolarHBondContact N-O 3.15Å; T629-I640 PolarHBondContact O-N 3.34Å; Y631-I640 HydrophobicContact CD2-CD1 3.32Å; Y631-I640 HydrophobicContact CE2-CD1 3.41Å; Y631-I640 VanDerWaalsContact CE2-CD1 3.41Å; Y631-I640 HydrophobicContact CG-CD1 4.3Å; E638-I640 HydrophobicContact CG-CD1 3.87Å; E638-I640 HydrophobicContact CG-CG1 3.96Å; I640-Q663 HydrophobicContact CG2-CB 3.53Å; I640-Q663 HydrophobicContact CG2-CG 3.94Å; I640-K664 CarbonylContact C-O 3.47Å; I640-K664 WeakPolarHBondContact CA-O 3.39Å; I640-K664 WeakPolarHBondContact CG2-O 3.28Å
641	T	85.7	Confident	70.6	Confident	26 Å²	26	64.4 Å²	64.4	16%	0.16	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.7	173.5	-170.7	0	0	0	0	111.5	M626 E627 K664 V666	M626-T641 WeakPolarHBondContact CG-OG1 3.25Å; E627-T641 WeakPolarHBondContact O-CA 3.31Å; E627-T641 PolarHBondContact O-OG1 2.95Å; T641-K664 HydrophobicContact CG2-CB 4.07Å; T641-K664 PolarHBondContact N-O 3.01Å; T641-K664 PolarHBondContact O-N 2.81Å; T641-V666 HydrophobicContact CG2-CG2 3.7Å
642	K	76	Confident	68.6	Low	78 Å²	78	69.5 Å²	69.5	34%	0.339	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	132.6	172.3	-69	-179.7	-176.9	172.3	0	109.4	D612 E627 R644	D612-K642 IonicContact OD1-NZ 2.76Å; D612-K642 IonicContact OD2-NZ 3.81Å; D612-K642 PolarHBondContact OD2-NZ 3.45Å; E627-K642 PolarHBondContact O-N 3.13Å; K642-R644 PolarHBondContact O-N 2.9Å
643	R	65.4	Low	66.1	Low	149 Å²	149	77.6 Å²	77.6	56%	0.562	45%	0.449	S	S	*	.			trans	-69.2	123	176.6	-160.7	172.5	179	141.4	-2.2	108.7	E594 V645 K662	E594-R643 IonicContact OE1-NH1 3.72Å; E594-R643 PolarHBondContact OE1-NH1 2.88Å; E594-R643 IonicContact OE2-NH1 2.76Å; E594-R643 PolarHBondContact OE2-NH1 3.24Å; R643-V645 VanDerWaalsContact C-N 3.31Å; R643-V645 PolarHBondContact O-N 3.42Å; R643-K662 PolarHBondContact N-O 3.33Å
644	R	57.1	Low	63.9	Low	219 Å²	219	83 Å²	83	83%	0.826	48%	0.481	S	S	*	.			trans	-67	96.4	161.8	-71.3	-172.7	-178.5	-176.2	1.9	107.2	K642 K646	K642-R644 PolarHBondContact O-N 2.9Å; R644-K646 PolarHBondContact O-N 3.45Å
645	V	51.3	Low	61.4	Low	119 Å²	119	92.5 Å²	92.5	72%	0.721	51%	0.514	S	S	*	.			trans	-63.6	103.7	167.5	-178.4	0	0	0	0	105.7	R643	R643-V645 VanDerWaalsContact C-N 3.31Å; R643-V645 PolarHBondContact O-N 3.42Å
646	K	43.6	Very low	58.8	Low	186 Å²	186	98.3 Å²	98.3	81%	0.809	55%	0.545	S	S	*	.			trans	-56.4	127.4	162.1	-78.7	-176.7	176.9	-179.8	0	105.4	R644 A648	R644-K646 PolarHBondContact O-N 3.45Å; K646-A648 PolarHBondContact O-N 3.17Å
647	P	41.3	Very low	56.3	Low	122 Å²	122	109 Å²	109	79%	0.792	59%	0.586	S	S	*	*			trans	-56.3	112.2	173.8	22.3	-29.6	0	0	0	106.5	A649	P647-A649 PolarHBondContact O-N 2.87Å
648	A	40.5	Very low	53.7	Low	90 Å²	90	112.3 Å²	112.3	74%	0.744	62%	0.62	S	S	*	*			trans	-59.6	126.9	176.2	0	0	0	0	0	106.7	K646 A650	K646-A648 PolarHBondContact O-N 3.17Å; A648-A650 PolarHBondContact O-N 3.25Å
649	A	41.8	Very low	51.5	Low	89 Å²	89	117.6 Å²	117.6	74%	0.736	66%	0.663	S	S	*	*			trans	-51.5	128.4	172.6	0	0	0	0	0	108.4	P647 G651	P647-A649 PolarHBondContact O-N 2.87Å; A649-G651 PolarHBondContact O-N 3.28Å
650	A	39.3	Very low	49.5	Very low	112 Å²	112	122.1 Å²	122.1	93%	0.926	70%	0.695	S	S	*	*	S	Bend	trans	-55.1	110.3	179	0	0	0	0	0	109.5	A648	A648-A650 PolarHBondContact O-N 3.25Å
651	G	46.5	Very low	47.8	Very low	72 Å²	72	123.6 Å²	123.6	74%	0.742	71%	0.707	S	S	*	*			trans	163.5	4.8	176.9	0	0	0	0	0	120.1	A649	A649-G651 PolarHBondContact O-N 3.28Å
652	T	46.1	Very low	46.8	Very low	121 Å²	121	130.9 Å²	130.9	74%	0.742	74%	0.736	S	S	*	*			trans	-136.6	117.5	176.2	45.4	0	0	0	0	112.8	V654	T652-V654 PolarHBondContact O-N 3.15Å
653	D	39.9	Very low	46.7	Very low	170 Å²	170	128.5 Å²	128.5	91%	0.909	73%	0.726	S	S	*	*			trans	-54.2	123.8	175.3	-77	-48.1	0	0	0	112.2
654	V	44.8	Very low	47.4	Very low	113 Å²	113	126.6 Å²	126.6	69%	0.685	72%	0.722	S	S	*	*			trans	-118.1	90.2	169.9	-176.5	0	0	0	0	108.2	T652	T652-V654 PolarHBondContact O-N 3.15Å
655	R	36	Very low	48.6	Very low	238 Å²	238	117.6 Å²	117.6	90%	0.898	69%	0.689	S	S	*	*			trans	-84.1	134.9	157	-74.9	-178.7	173.3	-178.7	-2.4	108
656	N	34.4	Very low	50.1	Low	160 Å²	160	114 Å²	114	86%	0.856	67%	0.668	S	S	*	*			trans	61.3	83.2	172.5	-76.9	-0.1	0	0	0	117.3
657	R	37.5	Very low	52	Low	226 Å²	226	108.4 Å²	108.4	85%	0.853	65%	0.647	S	S	*	*			trans	-137.1	118.1	141.5	-69.6	-168.2	-175.7	-175.1	1	108.8
658	G	34.7	Very low	54.2	Low	69 Å²	69	103.1 Å²	103.1	71%	0.711	61%	0.611	S	S	*	*			trans	-51.8	151.8	171.8	0	0	0	0	0	111	S660	G658-S660 PolarHBondContact O-N 3.22Å
659	A	42.1	Very low	56.4	Low	110 Å²	110	99 Å²	99	91%	0.909	58%	0.577	S	S	*	*	S	Bend	trans	-25.6	92.3	-174.3	0	0	0	0	0	113.2	A661	A659-A661 PolarHBondContact O-N 2.94Å; A659-A661 VanDerWaalsContact O-N 3.16Å
660	S	48.7	Very low	58.6	Low	96 Å²	96	100 Å²	100	67%	0.671	57%	0.565	S	S	*	*			trans	-65.7	118.7	-175.3	57	0	0	0	0	109	G658 K662	G658-S660 PolarHBondContact O-N 3.22Å; S660-K662 PolarHBondContact O-N 2.82Å
661	A	51.5	Low	60.9	Low	30 Å²	30	94.7 Å²	94.7	25%	0.248	52%	0.521	C	S	.	.			trans	-40.3	123	177.7	0	0	0	0	0	111.7	E594 A659 Q663	E594-A661 HydrophobicContact CB-CB 3.85Å; E594-A661 HydrophobicContact CG-CB 4.47Å; A659-A661 PolarHBondContact O-N 2.94Å; A659-A661 VanDerWaalsContact O-N 3.16Å; A661-Q663 VanDerWaalsContact C-N 3.29Å
662	K	64.2	Low	62.8	Low	180 Å²	180	94.1 Å²	94.1	78%	0.783	51%	0.506	S	S	*	.			trans	-83.9	-7.7	-175.2	-69.5	179.6	179.6	173.5	0	112.9	R643 S660	R643-K662 PolarHBondContact N-O 3.33Å; S660-K662 PolarHBondContact O-N 2.82Å
663	Q	73.3	Confident	64.8	Low	27 Å²	27	90.8 Å²	90.8	13%	0.126	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.1	-162.1	-80.9	179.1	-12.3	0	0	110.3	E594 I640 A661	E594-Q663 WeakPolarHBondContact CB-O 3.35Å; E594-Q663 PolarHBondContact N-O 3.1Å; I640-Q663 HydrophobicContact CG2-CB 3.53Å; I640-Q663 HydrophobicContact CG2-CG 3.94Å; A661-Q663 VanDerWaalsContact C-N 3.29Å
664	K	80.3	Confident	67.2	Low	110 Å²	110	82.7 Å²	82.7	48%	0.478	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.6	-178.5	-178.3	-175.9	173.1	-178.8	0	110.3	I640 T641	I640-K664 CarbonylContact C-O 3.47Å; I640-K664 WeakPolarHBondContact CA-O 3.39Å; I640-K664 WeakPolarHBondContact CG2-O 3.28Å; T641-K664 HydrophobicContact CG2-CB 4.07Å; T641-K664 PolarHBondContact N-O 3.01Å; T641-K664 PolarHBondContact O-N 2.81Å
665	H	82.5	Confident	69.2	Low	30 Å²	30	81.7 Å²	81.7	14%	0.139	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	134	171.6	176.8	72.1	0	0	0	111.6	I593 E594 E638	I593-H665 HydrophobicContact CG2-CB 3.94Å; E594-H665 PolarHBondContact O-N 3.05Å; E638-H665 IonicContact OE1-CE1 3.58Å; E638-H665 PolarHBondContact OE1-CE1 3.29Å; E638-H665 IonicContact OE1-CG 2.88Å; E638-H665 IonicContact OE1-ND1 3.73Å; E638-H665 PolarHBondContact OE1-ND1 3.01Å; E638-H665 IonicContact OE2-CE1 3.74Å; E638-H665 PolarHBondContact OE2-CE1 3.12Å; E638-H665 IonicContact OE2-ND1 3.04Å; E638-H665 PolarHBondContact OE2-ND1 2.75Å
666	V	83.2	Confident	71.7	Confident	44 Å²	44	72.9 Å²	72.9	27%	0.267	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-58	172.7	-179.6	0	0	0	0	109.9	L621 M626 V639 T641	L621-V666 HydrophobicContact CD1-CG1 4.25Å; L621-V666 WeakPolarHBondContact O-CG1 3.24Å; M626-V666 HydrophobicContact CE-CG1 4.2Å; M626-V666 HydrophobicContact CE-CG2 4.14Å; V639-V666 HydrophobicContact CB-CB 4.28Å; V639-V666 HydrophobicContact CG1-CB 4.2Å; V639-V666 HydrophobicContact CG1-CG1 4.5Å; V639-V666 WeakPolarHBondContact O-CA 3.26Å; V639-V666 VanDerWaalsContact O-CB 3.28Å; V639-V666 WeakPolarHBondContact O-CB 3.48Å; V639-V666 PolarHBondContact O-N 3.46Å; T641-V666 HydrophobicContact CG2-CG2 3.7Å
667	D	84.3	Confident	74.4	Confident	68 Å²	68	65.3 Å²	65.3	36%	0.364	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	158.2	-179.8	-158.2	-0.3	0	0	0	111.4	L621 V639	L621-D667 HydrophobicContact CD1-CB 3.24Å; L621-D667 WeakPolarHBondContact CD1-OD2 3.48Å; V639-D667 PolarHBondContact N-O 2.88Å; V639-D667 PolarHBondContact O-N 2.8Å
668	L	86.1	Confident	76.9	Confident	10 Å²	10	54.7 Å²	54.7	5%	0.052	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	105.9	174.9	-174.9	74.9	0	0	0	109.7	Y599 V600 C636 E638	Y599-L668 HydrophobicContact CD2-CD2 3.77Å; Y599-L668 HydrophobicContact CE2-CB 4.38Å; Y599-L668 HydrophobicContact CE2-CD2 3.55Å; V600-L668 HydrophobicContact CG2-CD1 4.32Å; V600-L668 HydrophobicContact CG2-CD2 4.35Å; C636-L668 HydrophobicContact CB-CD1 3.98Å; C636-L668 HydrophobicContact CB-CG 4.19Å; C636-L668 VanDerWaalsContact SG-CD1 3.53Å; E638-L668 HydrophobicContact CB-CD1 3.95Å; E638-L668 WeakPolarHBondContact OE2-CD1 3.41Å
669	L	87.3	Confident	79.5	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.1	-177.4	-58.5	171	0	0	0	111	L621 C636 L637 V639 I693	L621-L669 HydrophobicContact CD1-CD2 4.38Å; L621-L669 HydrophobicContact CD2-CD1 4Å; L621-L669 HydrophobicContact CD2-CD2 4.48Å; C636-L669 CarbonylContact C-O 3.48Å; C636-L669 VanDerWaalsContact CA-O 3.25Å; C636-L669 WeakPolarHBondContact CA-O 3.13Å; C636-L669 WeakPolarHBondContact CB-O 3.41Å; L637-L669 HydrophobicContact CB-CB 4.29Å; L637-L669 HydrophobicContact CD2-CD1 4.37Å; L637-L669 PolarHBondContact N-O 2.78Å; L637-L669 WeakPolarHBondContact O-CB 3.42Å; L637-L669 PolarHBondContact O-N 3.37Å; V639-L669 HydrophobicContact CG2-CD1 3.81Å; V639-L669 HydrophobicContact CG2-CG 4.23Å; L669-I693 HydrophobicContact CD1-CD1 3.64Å; L669-I693 HydrophobicContact CD2-CG2 3.96Å
670	F	87.8	Confident	81.6	Confident	108 Å²	108	46.5 Å²	46.5	47%	0.474	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	145.8	170	-65.6	-72.6	0	0	0	111.5	S672 N673	F670-S672 PolarHBondContact O-N 3.39Å; F670-S672 VanDerWaalsContact O-N 3.11Å; F670-N673 WeakPolarHBondContact O-CB 3.35Å; F670-N673 PolarHBondContact O-N 3.4Å
671	M	87.7	Confident	83.2	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-56.8	-29.2	179.1	-71.7	-66	135.3	0	0	113.3	L632 D635 C636 L637 N673 I674 Q725 V726 T729	L632-M671 HydrophobicContact CD1-CE 3.56Å; D635-M671 VanDerWaalsContact C-CG 3.48Å; D635-M671 VanDerWaalsContact O-CG 3.24Å; D635-M671 WeakPolarHBondContact O-CG 3.35Å; D635-M671 PolarHBondContact O-N 3.21Å; C636-M671 VanDerWaalsContact CA-CE 3.5Å; C636-M671 VanDerWaalsContact O-CE 3.27Å; C636-M671 WeakPolarHBondContact O-CE 3.48Å; L637-M671 HydrophobicContact CB-CE 3.87Å; M671-N673 VanDerWaalsContact C-N 3.27Å; M671-N673 PolarHBondContact O-N 3.38Å; M671-I674 PolarHBondContact O-N 3.26Å; M671-I674 HydrophobicContact SD-CD1 4.25Å; M671-Q725 HydrophobicContact CE-CB 4.5Å; M671-Q725 HydrophobicContact CG-CB 4.34Å; M671-Q725 HydrophobicContact SD-CB 3.73Å; M671-V726 HydrophobicContact CB-CG2 4.4Å; M671-V726 HydrophobicContact SD-CG2 3.82Å; M671-T729 HydrophobicContact CB-CG2 4.01Å; M671-T729 HydrophobicContact CG-CG2 4.38Å
672	S	85.5	Confident	84.5	Confident	61 Å²	61	44.3 Å²	44.3	43%	0.427	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-64.5	-26.6	176.1	54.8	0	0	0	0	114.1	F670 I674 R732	F670-S672 PolarHBondContact O-N 3.39Å; F670-S672 VanDerWaalsContact O-N 3.11Å; S672-I674 VanDerWaalsContact C-N 3.32Å; S672-R732 PolarHBondContact O-NH2 3.32Å
673	N	88.3	Confident	84.7	Confident	50 Å²	50	42 Å²	42	27%	0.267	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-76.8	-21.6	-179.4	-66	-11.2	0	0	0	111.9	F670 M671 R675 I693 R694	F670-N673 WeakPolarHBondContact O-CB 3.35Å; F670-N673 PolarHBondContact O-N 3.4Å; M671-N673 VanDerWaalsContact C-N 3.27Å; M671-N673 PolarHBondContact O-N 3.38Å; N673-R675 PolarHBondContact O-N 3Å; N673-I693 HydrophobicContact CB-CG2 4.31Å; N673-I693 WeakPolarHBondContact O-CA 3.16Å; N673-R694 PolarHBondContact O-N 3.37Å
674	I	90.2	Very high	84.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	113.6	178.3	-55.6	177.6	0	0	0	108.6	L637 M671 S672 V677 I722 V726 R732 F735	L637-I674 HydrophobicContact CD2-CD1 4.19Å; M671-I674 PolarHBondContact O-N 3.26Å; M671-I674 HydrophobicContact SD-CD1 4.25Å; S672-I674 VanDerWaalsContact C-N 3.32Å; I674-V677 HydrophobicContact CG2-CG2 3.84Å; I674-I722 HydrophobicContact CD1-CG2 3.9Å; I674-V726 HydrophobicContact CB-CG2 4.05Å; I674-V726 HydrophobicContact CD1-CG2 4.31Å; I674-V726 HydrophobicContact CG2-CG2 4.26Å; I674-R732 PolarHBondContact O-NH1 3.19Å; I674-R732 PolarHBondContact O-NH2 2.87Å; I674-F735 HydrophobicContact CG2-CZ 4.19Å
675	R	87.1	Confident	84.1	Confident	93 Å²	93	46.1 Å²	46.1	35%	0.351	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-32.9	-176.2	-74.8	-78.6	166.5	175.5	-4	113	N673 T692 R694 F735	N673-R675 PolarHBondContact O-N 3Å; R675-T692 HydrophobicContact CB-CG2 4.04Å; R675-T692 PolarHBondContact N-O 2.86Å; R675-R694 HydrophobicContact CG-CB 4.27Å; R675-F735 VanDerWaalsContact O-CE2 3.25Å; R675-F735 WeakPolarHBondContact O-CE2 3.37Å
676	R	88.2	Confident	83.7	Confident	53 Å²	53	48.6 Å²	48.6	20%	0.2	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	147.9	175.4	-61.2	-175.7	-67.6	-169.2	-8.3	110.6	V678 T692 N701 D748	R676-V678 HydrophobicContact CB-CG2 4.46Å; R676-T692 PolarHBondContact N-O 3.39Å; R676-T692 PolarHBondContact NE-OG1 3.26Å; R676-T692 PolarHBondContact NH2-OG1 3.1Å; R676-T692 PolarHBondContact O-N 3.12Å; R676-N701 PolarHBondContact NH2-OD1 2.87Å; R676-D748 IonicContact CZ-OD2 2.79Å; R676-D748 IonicContact NH1-OD2 3.39Å; R676-D748 PolarHBondContact NH1-OD2 3.41Å; R676-D748 IonicContact NH2-OD2 2.75Å; R676-D748 PolarHBondContact NH2-OD2 3.41Å
677	V	92	Very high	83.7	Confident	1 Å²	1	47 Å²	47	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.3	169.6	-176.4	0	0	0	0	106.4	I674 L691 L719 I722 F735 L737 Q738	I674-V677 HydrophobicContact CG2-CG2 3.84Å; V677-L691 HydrophobicContact CB-CD2 4.2Å; V677-L691 HydrophobicContact CG1-CD2 3.9Å; V677-L691 HydrophobicContact CG2-CD2 3.84Å; V677-L719 HydrophobicContact CG1-CB 4.12Å; V677-L719 HydrophobicContact CG1-CD2 3.82Å; V677-L719 HydrophobicContact CG1-CG 4.44Å; V677-I722 HydrophobicContact CG2-CG2 3.91Å; V677-F735 HydrophobicContact CB-CE1 4.49Å; V677-F735 HydrophobicContact CG2-CE1 3.78Å; V677-F735 HydrophobicContact CG2-CZ 4.1Å; V677-L737 HydrophobicContact CB-CD1 4.21Å; V677-L737 HydrophobicContact CG1-CD1 3.63Å; V677-Q738 PolarHBondContact O-N 2.84Å; V677-Q738 VanDerWaalsContact O-N 3.1Å
678	V	89.9	Confident	83.9	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.9	-176.6	-172.3	0	0	0	0	108.7	R676 V680 F689 C690 Q738 L740 L751	R676-V678 HydrophobicContact CB-CG2 4.46Å; V678-V680 HydrophobicContact CG1-CG2 4.22Å; V678-F689 CarbonylContact O-C 3.55Å; V678-F689 WeakPolarHBondContact O-CA 3.2Å; V678-F689 WeakPolarHBondContact O-CB 3.19Å; V678-C690 HydrophobicContact CB-CB 4.13Å; V678-C690 PolarHBondContact N-O 3.35Å; V678-C690 PolarHBondContact O-N 3.28Å; V678-Q738 CarbonylContact C-O 3.51Å; V678-Q738 VanDerWaalsContact CA-O 3.32Å; V678-Q738 WeakPolarHBondContact CA-O 3.5Å; V678-Q738 HydrophobicContact CG1-CB 4.44Å; V678-Q738 HydrophobicContact CG2-CB 4.27Å; V678-L740 HydrophobicContact CG1-CB 3.97Å; V678-L751 HydrophobicContact CG2-CD2 4.09Å
679	D	89.9	Confident	84.2	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.027	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.1	166.6	-174.3	14.7	0	0	0	109.3	K715 L719 L737 Q738 L740	D679-K715 WeakPolarHBondContact OD1-CE 3.21Å; D679-K715 IonicContact OD1-NZ 3.76Å; D679-K715 PolarHBondContact OD1-NZ 3.41Å; D679-K715 IonicContact OD2-NZ 3.03Å; D679-L719 HydrophobicContact CB-CD1 3.89Å; D679-L737 HydrophobicContact CB-CD1 4.08Å; D679-L737 HydrophobicContact CB-CD2 4.23Å; D679-L737 HydrophobicContact CB-CG 4.21Å; D679-Q738 PolarHBondContact N-O 2.6Å; D679-L740 PolarHBondContact O-N 3.15Å
680	V	85.8	Confident	84.3	Confident	1 Å²	1	43 Å²	43	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.6	-179.6	-179.7	0	0	0	0	108	V678 F682 L688 K715 I755	V678-V680 HydrophobicContact CG1-CG2 4.22Å; V680-F682 HydrophobicContact CG1-CD1 4.14Å; V680-F682 HydrophobicContact CG1-CD2 3.48Å; V680-F682 VanDerWaalsContact CG1-CD2 3.48Å; V680-F682 HydrophobicContact CG1-CE1 3.91Å; V680-F682 HydrophobicContact CG1-CE2 3.23Å; V680-F682 HydrophobicContact CG1-CG 3.93Å; V680-F682 HydrophobicContact CG1-CZ 3.43Å; V680-F682 VanDerWaalsContact CG1-CZ 3.43Å; V680-L688 HydrophobicContact CB-CB 3.82Å; V680-L688 HydrophobicContact CG1-CB 4.02Å; V680-L688 PolarHBondContact N-O 3.48Å; V680-K715 PolarHBondContact O-NZ 2.98Å; V680-I755 HydrophobicContact CG1-CG2 4.36Å; V680-I755 HydrophobicContact CG2-CD1 3.94Å
681	D	81.8	Confident	84.4	Confident	60 Å²	60	38 Å²	38	32%	0.321	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	75.3	-174.5	-162.4	15.4	0	0	0	110.3	R739 L740	D681-R739 IonicContact OD2-CZ 3.45Å; D681-R739 IonicContact OD2-NE 3.43Å; D681-R739 IonicContact OD2-NH2 2.68Å; D681-R739 PolarHBondContact OD2-NH2 2.82Å; D681-L740 PolarHBondContact N-O 2.89Å
682	F	78.9	Confident	84.5	Confident	21 Å²	21	38.1 Å²	38.1	9%	0.092	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.3	177.2	-63.1	-28.1	0	0	0	110.9	V680 K684 M685 L688 L740 E741 I743 I755 T759	V680-F682 HydrophobicContact CG1-CD1 4.14Å; V680-F682 HydrophobicContact CG1-CD2 3.48Å; V680-F682 VanDerWaalsContact CG1-CD2 3.48Å; V680-F682 HydrophobicContact CG1-CE1 3.91Å; V680-F682 HydrophobicContact CG1-CE2 3.23Å; V680-F682 HydrophobicContact CG1-CG 3.93Å; V680-F682 HydrophobicContact CG1-CZ 3.43Å; V680-F682 VanDerWaalsContact CG1-CZ 3.43Å; F682-K684 PolarHBondContact O-N 3.07Å; F682-M685 HydrophobicContact CD2-CE 4.48Å; F682-M685 CarbonylContact O-C 3.59Å; F682-M685 PolarHBondContact O-N 3.47Å; F682-L688 HydrophobicContact CD2-CD1 4.41Å; F682-L740 HydrophobicContact CE1-CG 4.46Å; F682-L740 HydrophobicContact CZ-CD2 4.13Å; F682-E741 WeakPolarHBondContact CD1-O 3.42Å; F682-I743 HydrophobicContact CE1-CG1 3.97Å; F682-I743 HydrophobicContact CE2-CD1 3.82Å; F682-I743 HydrophobicContact CE2-CG1 3.72Å; F682-I743 HydrophobicContact CZ-CB 4.49Å; F682-I743 HydrophobicContact CZ-CD1 3.88Å; F682-I743 HydrophobicContact CZ-CG1 3.22Å; F682-I755 HydrophobicContact CE2-CG2 3.5Å; F682-I755 VanDerWaalsContact CE2-CG2 3.5Å; F682-I755 HydrophobicContact CZ-CG2 3.87Å; F682-T759 HydrophobicContact CD2-CG2 3.94Å; F682-T759 HydrophobicContact CE2-CG2 3.79Å
683	P	69.5	Low	84.7	Confident	131 Å²	131	35.4 Å²	35.4	85%	0.851	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.3	-177.1	-25.8	31.3	0	0	0	114.1
684	K	68.4	Low	84.7	Confident	197 Å²	197	37.7 Å²	37.7	86%	0.857	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.3	-177	-65.9	-176	179.6	177.6	0	113.8	F682	F682-K684 PolarHBondContact O-N 3.07Å
685	M	70.7	Confident	84.3	Confident	26 Å²	26	39.7 Å²	39.7	13%	0.128	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	96	-176	-64.3	-164.5	-63.8	0	0	111.2	F682 L688 T759 C762	F682-M685 HydrophobicContact CD2-CE 4.48Å; F682-M685 CarbonylContact O-C 3.59Å; F682-M685 PolarHBondContact O-N 3.47Å; M685-L688 HydrophobicContact CB-CD1 3.47Å; M685-L688 VanDerWaalsContact CB-CD1 3.47Å; M685-L688 HydrophobicContact CB-CG 4.43Å; M685-L688 HydrophobicContact CE-CD1 3.43Å; M685-L688 VanDerWaalsContact CE-CD1 3.43Å; M685-L688 HydrophobicContact CG-CD1 4.42Å; M685-L688 HydrophobicContact SD-CD1 4.16Å; M685-T759 HydrophobicContact CE-CG2 3.19Å; M685-C762 HydrophobicContact CE-CB 4.41Å; M685-C762 HydrophobicContact SD-CB 3.15Å; M685-C762 WeakPolarHBondContact SD-CB 3.35Å
686	P	75.5	Confident	83.8	Confident	82 Å²	82	41.1 Å²	41.1	53%	0.532	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	161.5	177.6	30	-34.4	0	0	0	111.2	L688 Q705	P686-L688 PolarHBondContact O-N 3.13Å; P686-Q705 PolarHBondContact O-NE2 3.02Å
687	N	83.1	Confident	83.2	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.053	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.6	22.5	169.2	-64.8	-11.3	0	0	0	117.1	Q705 M706 N707 V710	N687-Q705 CarbonylContact O-C 3.49Å; N687-Q705 WeakPolarHBondContact O-CA 3.34Å; N687-M706 HydrophobicContact CB-CB 4.07Å; N687-M706 PolarHBondContact O-N 3.44Å; N687-N707 PolarHBondContact ND2-O 3.42Å; N687-V710 PolarHBondContact ND2-O 3.07Å
688	L	89.1	Confident	82.8	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	143.1	171.7	-73.5	161.6	0	0	0	111.7	L616 V680 F682 M685 P686 T703 F704 Q705	L616-L688 HydrophobicContact CD1-CD2 3.27Å; V680-L688 HydrophobicContact CB-CB 3.82Å; V680-L688 HydrophobicContact CG1-CB 4.02Å; V680-L688 PolarHBondContact N-O 3.48Å; F682-L688 HydrophobicContact CD2-CD1 4.41Å; M685-L688 HydrophobicContact CB-CD1 3.47Å; M685-L688 VanDerWaalsContact CB-CD1 3.47Å; M685-L688 HydrophobicContact CB-CG 4.43Å; M685-L688 HydrophobicContact CE-CD1 3.43Å; M685-L688 VanDerWaalsContact CE-CD1 3.43Å; M685-L688 HydrophobicContact CG-CD1 4.42Å; M685-L688 HydrophobicContact SD-CD1 4.16Å; P686-L688 PolarHBondContact O-N 3.13Å; L688-T703 HydrophobicContact CD2-CG2 4.24Å; L688-F704 WeakPolarHBondContact CA-O 3.37Å; L688-Q705 HydrophobicContact CD2-CB 4.21Å
689	F	90.6	Very high	82.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	158.8	167.6	69.5	-84.2	0	0	0	110.2	T613 F630 V678 L691 F704 M706 L719	T613-F689 HydrophobicContact CG2-CE1 3.92Å; T613-F689 HydrophobicContact CG2-CZ 3.98Å; F630-F689 HydrophobicContact CE2-CZ 4.29Å; V678-F689 CarbonylContact O-C 3.55Å; V678-F689 WeakPolarHBondContact O-CA 3.2Å; V678-F689 WeakPolarHBondContact O-CB 3.19Å; F689-L691 HydrophobicContact CD2-CD2 4.25Å; F689-L691 HydrophobicContact CD2-CG 4.05Å; F689-L691 HydrophobicContact CE2-CD1 3.97Å; F689-L691 HydrophobicContact CE2-CD2 4.34Å; F689-L691 HydrophobicContact CE2-CG 3.87Å; F689-F704 HydrophobicContact CD1-CB 4.06Å; F689-F704 HydrophobicContact CD2-CB 4.39Å; F689-F704 HydrophobicContact CD2-CD2 4.36Å; F689-F704 HydrophobicContact CE1-CB 3.48Å; F689-F704 VanDerWaalsContact CE1-CB 3.48Å; F689-F704 HydrophobicContact CE1-CG 4.46Å; F689-F704 HydrophobicContact CE2-CB 3.86Å; F689-F704 AromaticContact CE2-CD2 3.68Å; F689-F704 HydrophobicContact CE2-CD2 3.68Å; F689-F704 HydrophobicContact CE2-CG 4.11Å; F689-F704 HydrophobicContact CG-CB 4.49Å; F689-F704 HydrophobicContact CZ-CB 3.38Å; F689-F704 AromaticContact CZ-CD2 3.95Å; F689-F704 HydrophobicContact CZ-CD2 3.95Å; F689-F704 AromaticContact CZ-CG 3.89Å; F689-F704 HydrophobicContact CZ-CG 3.89Å; F689-F704 PolarHBondContact N-O 3.39Å; F689-F704 PolarHBondContact O-N 3.48Å; F689-M706 HydrophobicContact CD1-CE 3.95Å; F689-M706 HydrophobicContact CD1-CG 3.96Å; F689-M706 HydrophobicContact CE1-CE 3.76Å; F689-M706 HydrophobicContact CE1-CG 3.61Å; F689-M706 HydrophobicContact CZ-CE 4.36Å; F689-L719 HydrophobicContact CB-CD1 3.93Å; F689-L719 HydrophobicContact CB-CD2 4Å; F689-L719 HydrophobicContact CD2-CD2 3.75Å; F689-L719 HydrophobicContact CE2-CD2 4.36Å; F689-L719 HydrophobicContact CG-CD2 3.89Å
690	C	90.1	Very high	82.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.1	177.7	-165.4	0	0	0	0	110.8	V678 Y702 L751 I755	V678-C690 HydrophobicContact CB-CB 4.13Å; V678-C690 PolarHBondContact N-O 3.35Å; V678-C690 PolarHBondContact O-N 3.28Å; C690-Y702 CarbonylContact C-O 3.59Å; C690-Y702 VanDerWaalsContact CA-O 3.26Å; C690-Y702 WeakPolarHBondContact CA-O 3.19Å; C690-Y702 PolarHBondContact SG-O 2.65Å; C690-L751 HydrophobicContact CB-CD1 4.15Å; C690-L751 WeakPolarHBondContact SG-CD1 3.33Å; C690-I755 HydrophobicContact CB-CD1 4.49Å; C690-I755 HydrophobicContact CB-CG1 4.5Å
691	L	91	Very high	82.6	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.7	172.3	-61	-179.9	0	0	0	109	L637 V677 F689 I693 Y702 F704	L637-L691 HydrophobicContact CD2-CD1 4.24Å; V677-L691 HydrophobicContact CB-CD2 4.2Å; V677-L691 HydrophobicContact CG1-CD2 3.9Å; V677-L691 HydrophobicContact CG2-CD2 3.84Å; F689-L691 HydrophobicContact CD2-CD2 4.25Å; F689-L691 HydrophobicContact CD2-CG 4.05Å; F689-L691 HydrophobicContact CE2-CD1 3.97Å; F689-L691 HydrophobicContact CE2-CD2 4.34Å; F689-L691 HydrophobicContact CE2-CG 3.87Å; L691-I693 HydrophobicContact CB-CD1 4.2Å; L691-I693 HydrophobicContact CB-CG1 4.08Å; L691-Y702 PolarHBondContact N-O 2.94Å; L691-Y702 PolarHBondContact O-N 3.42Å; L691-F704 HydrophobicContact CB-CE2 4.46Å; L691-F704 HydrophobicContact CD1-CD2 4.45Å; L691-F704 HydrophobicContact CD1-CE2 4.16Å; L691-F704 HydrophobicContact CG-CD2 4.49Å; L691-F704 HydrophobicContact CG-CE2 4.42Å
692	T	89.6	Confident	82.9	Confident	4 Å²	4	50.9 Å²	50.9	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.2	166.8	-52.9	0	0	0	0	108.1	R675 R676 D699 T700 N701	R675-T692 HydrophobicContact CB-CG2 4.04Å; R675-T692 PolarHBondContact N-O 2.86Å; R676-T692 PolarHBondContact N-O 3.39Å; R676-T692 PolarHBondContact NE-OG1 3.26Å; R676-T692 PolarHBondContact NH2-OG1 3.1Å; R676-T692 PolarHBondContact O-N 3.12Å; T692-D699 HydrophobicContact CG2-CB 3.94Å; T692-T700 WeakPolarHBondContact CA-O 3.28Å; T692-N701 WeakPolarHBondContact CB-OD1 3.3Å; T692-N701 WeakPolarHBondContact CG2-OD1 3.31Å; T692-N701 PolarHBondContact OG1-OD1 3.44Å
693	I	89.3	Confident	83.4	Confident	5 Å²	5	50 Å²	50	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.6	-175.4	-57.5	170.2	0	0	0	109.1	L621 L669 N673 L691 T700 Y702	L621-I693 HydrophobicContact CD2-CD1 3.96Å; L669-I693 HydrophobicContact CD1-CD1 3.64Å; L669-I693 HydrophobicContact CD2-CG2 3.96Å; N673-I693 HydrophobicContact CB-CG2 4.31Å; N673-I693 WeakPolarHBondContact O-CA 3.16Å; L691-I693 HydrophobicContact CB-CD1 4.2Å; L691-I693 HydrophobicContact CB-CG1 4.08Å; I693-T700 PolarHBondContact N-O 2.85Å; I693-T700 PolarHBondContact O-N 3.36Å; I693-T700 PolarHBondContact O-OG1 3.15Å; I693-T700 VanDerWaalsContact O-OG1 3.05Å; I693-Y702 HydrophobicContact CB-CD2 4.09Å; I693-Y702 HydrophobicContact CB-CE2 3.99Å; I693-Y702 HydrophobicContact CD1-CD2 3.66Å; I693-Y702 HydrophobicContact CD1-CE2 4.03Å; I693-Y702 HydrophobicContact CD1-CG 4.43Å; I693-Y702 HydrophobicContact CG1-CD2 4.05Å; I693-Y702 HydrophobicContact CG1-CE2 4.39Å
694	R	87.7	Confident	84.4	Confident	98 Å²	98	43.7 Å²	43.7	37%	0.37	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.7	171.9	-174.3	162	-66.7	-161.4	-4.8	110.6	N673 R675 D699	N673-R694 PolarHBondContact O-N 3.37Å; R675-R694 HydrophobicContact CG-CB 4.27Å; R694-D699 WeakPolarHBondContact CA-OD1 3.35Å; R694-D699 WeakPolarHBondContact CB-OD1 3.4Å; R694-D699 WeakPolarHBondContact CG-OD1 3.12Å; R694-D699 IonicContact CZ-OD1 3.18Å; R694-D699 IonicContact CZ-OD2 3.25Å; R694-D699 IonicContact NE-OD1 2.6Å; R694-D699 PolarHBondContact NE-OD1 2.99Å; R694-D699 IonicContact NE-OD2 3.89Å; R694-D699 IonicContact NH2-OD1 3.56Å; R694-D699 PolarHBondContact NH2-OD1 3.29Å; R694-D699 IonicContact NH2-OD2 2.8Å; R694-D699 PolarHBondContact NH2-OD2 3.36Å
695	N	81.1	Confident	85.3	Confident	42 Å²	42	36.4 Å²	36.4	23%	0.225	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	-175.2	169.7	66	31.4	0	0	0	110.1	M697 G698 T700	N695-M697 PolarHBondContact O-N 3.36Å; N695-M697 VanDerWaalsContact OD1-CA 3.29Å; N695-M697 WeakPolarHBondContact OD1-CA 3.44Å; N695-M697 WeakPolarHBondContact OD1-CB 3.49Å; N695-M697 PolarHBondContact OD1-N 3.02Å; N695-G698 PolarHBondContact N-O 3.32Å; N695-G698 PolarHBondContact O-N 3.49Å; N695-G698 PolarHBondContact OD1-N 3.21Å; N695-G698 PolarHBondContact OD1-O 3.48Å; N695-T700 VanDerWaalsContact ND2-CG2 3.32Å; N695-T700 WeakPolarHBondContact ND2-CG2 3.36Å; N695-T700 PolarHBondContact ND2-OG1 2.97Å; N695-T700 VanDerWaalsContact ND2-OG1 3.16Å
696	S	76.6	Confident	86.1	Confident	123 Å²	123	35.3 Å²	35.3	86%	0.86	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.7	178.4	57.2	0	0	0	0	114.3
697	M	76.7	Confident	86.3	Confident	166 Å²	166	34.5 Å²	34.5	82%	0.818	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-4.7	-179.4	-56.5	-60.6	-65	0	0	113.1	N695	N695-M697 PolarHBondContact O-N 3.36Å; N695-M697 VanDerWaalsContact OD1-CA 3.29Å; N695-M697 WeakPolarHBondContact OD1-CA 3.44Å; N695-M697 WeakPolarHBondContact OD1-CB 3.49Å; N695-M697 PolarHBondContact OD1-N 3.02Å
698	G	83.5	Confident	85.4	Confident	31 Å²	31	42 Å²	42	32%	0.32	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	124.7	-163.9	-177.7	0	0	0	0	0	113.7	N695	N695-G698 PolarHBondContact N-O 3.32Å; N695-G698 PolarHBondContact O-N 3.49Å; N695-G698 PolarHBondContact OD1-N 3.21Å; N695-G698 PolarHBondContact OD1-O 3.48Å
699	D	86.9	Confident	84.6	Confident	65 Å²	65	49.9 Å²	49.9	35%	0.348	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.9	179.8	-68.9	-14.5	0	0	0	109.2	T692 R694	T692-D699 HydrophobicContact CG2-CB 3.94Å; R694-D699 WeakPolarHBondContact CA-OD1 3.35Å; R694-D699 WeakPolarHBondContact CB-OD1 3.4Å; R694-D699 WeakPolarHBondContact CG-OD1 3.12Å; R694-D699 IonicContact CZ-OD1 3.18Å; R694-D699 IonicContact CZ-OD2 3.25Å; R694-D699 IonicContact NE-OD1 2.6Å; R694-D699 PolarHBondContact NE-OD1 2.99Å; R694-D699 IonicContact NE-OD2 3.89Å; R694-D699 IonicContact NH2-OD1 3.56Å; R694-D699 PolarHBondContact NH2-OD1 3.29Å; R694-D699 IonicContact NH2-OD2 2.8Å; R694-D699 PolarHBondContact NH2-OD2 3.36Å
700	T	87.2	Confident	83.8	Confident	38 Å²	38	51.7 Å²	51.7	23%	0.233	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.7	-177.4	48.7	0	0	0	0	111	T692 I693 N695 Y702	T692-T700 WeakPolarHBondContact CA-O 3.28Å; I693-T700 PolarHBondContact N-O 2.85Å; I693-T700 PolarHBondContact O-N 3.36Å; I693-T700 PolarHBondContact O-OG1 3.15Å; I693-T700 VanDerWaalsContact O-OG1 3.05Å; N695-T700 VanDerWaalsContact ND2-CG2 3.32Å; N695-T700 WeakPolarHBondContact ND2-CG2 3.36Å; N695-T700 PolarHBondContact ND2-OG1 2.97Å; N695-T700 VanDerWaalsContact ND2-OG1 3.16Å; T700-Y702 WeakPolarHBondContact OG1-CE2 3.28Å
701	N	87.8	Confident	83.3	Confident	22 Å²	22	54.9 Å²	54.9	12%	0.118	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.8	-179.5	-64.8	-45.8	0	0	0	110.7	R676 T692 L751 S754	R676-N701 PolarHBondContact NH2-OD1 2.87Å; T692-N701 WeakPolarHBondContact CB-OD1 3.3Å; T692-N701 WeakPolarHBondContact CG2-OD1 3.31Å; T692-N701 PolarHBondContact OG1-OD1 3.44Å; N701-L751 HydrophobicContact CB-CD1 4.34Å; N701-L751 PolarHBondContact ND2-N 3.24Å; N701-S754 PolarHBondContact O-OG 3.21Å
702	Y	88.4	Confident	82.7	Confident	6 Å²	6	58 Å²	58	2%	0.024	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.2	176.4	-65.2	-89.4	0	0	0	111.3	S617 P620 L621 C690 L691 I693 T700 F704	S617-Y702 WeakPolarHBondContact OG-CA 3.11Å; P620-Y702 WeakPolarHBondContact CD-OH 3.37Å; L621-Y702 HydrophobicContact CB-CD1 4.46Å; L621-Y702 HydrophobicContact CB-CE1 3.61Å; L621-Y702 HydrophobicContact CB-CE2 4.42Å; L621-Y702 WeakPolarHBondContact CB-OH 3.32Å; L621-Y702 HydrophobicContact CD2-CE1 4.46Å; L621-Y702 PolarHBondContact N-OH 3.14Å; C690-Y702 CarbonylContact C-O 3.59Å; C690-Y702 VanDerWaalsContact CA-O 3.26Å; C690-Y702 WeakPolarHBondContact CA-O 3.19Å; C690-Y702 PolarHBondContact SG-O 2.65Å; L691-Y702 PolarHBondContact N-O 2.94Å; L691-Y702 PolarHBondContact O-N 3.42Å; I693-Y702 HydrophobicContact CB-CD2 4.09Å; I693-Y702 HydrophobicContact CB-CE2 3.99Å; I693-Y702 HydrophobicContact CD1-CD2 3.66Å; I693-Y702 HydrophobicContact CD1-CE2 4.03Å; I693-Y702 HydrophobicContact CD1-CG 4.43Å; I693-Y702 HydrophobicContact CG1-CD2 4.05Å; I693-Y702 HydrophobicContact CG1-CE2 4.39Å; T700-Y702 WeakPolarHBondContact OG1-CE2 3.28Å; Y702-F704 HydrophobicContact CD1-CZ 4.44Å; Y702-F704 HydrophobicContact CG-CE2 4.37Å; Y702-F704 HydrophobicContact CG-CZ 4.26Å
703	T	88.5	Confident	82.5	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.006	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.6	178.8	-47.3	0	0	0	0	109.8	L616 S617 L688 S754 A758	L616-T703 WeakPolarHBondContact CB-O 3.36Å; L616-T703 HydrophobicContact CD1-CG2 4.44Å; L616-T703 PolarHBondContact N-O 3.11Å; S617-T703 PolarHBondContact N-O 2.79Å; S617-T703 PolarHBondContact OG-N 3.01Å; S617-T703 VanDerWaalsContact OG-N 3.15Å; L688-T703 HydrophobicContact CD2-CG2 4.24Å; T703-S754 PolarHBondContact OG1-OG 3.27Å; T703-A758 HydrophobicContact CG2-CB 3.53Å
704	F	90	Very high	82.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154	-177.5	-61.3	-79.1	0	0	0	110.5	T614 A615 T622 F630 L688 F689 L691 Y702	T614-F704 WeakPolarHBondContact O-CA 3.37Å; A615-F704 HydrophobicContact CB-CD1 4.07Å; A615-F704 HydrophobicContact CB-CE1 3.91Å; T622-F704 HydrophobicContact CG2-CE1 4.05Å; T622-F704 HydrophobicContact CG2-CZ 4.37Å; F630-F704 AromaticContact CE2-CD1 3.93Å; F630-F704 HydrophobicContact CE2-CD1 3.93Å; F630-F704 HydrophobicContact CE2-CD2 4.36Å; F630-F704 AromaticContact CE2-CE1 4Å; F630-F704 HydrophobicContact CE2-CE1 4Å; F630-F704 HydrophobicContact CE2-CE2 4.39Å; F630-F704 HydrophobicContact CE2-CG 4.13Å; F630-F704 HydrophobicContact CE2-CZ 4.24Å; F630-F704 HydrophobicContact CZ-CD1 4.11Å; F630-F704 HydrophobicContact CZ-CD2 4.22Å; F630-F704 AromaticContact CZ-CE1 3.73Å; F630-F704 HydrophobicContact CZ-CE1 3.73Å; F630-F704 AromaticContact CZ-CE2 3.82Å; F630-F704 HydrophobicContact CZ-CE2 3.82Å; F630-F704 HydrophobicContact CZ-CG 4.36Å; F630-F704 AromaticContact CZ-CZ 3.59Å; F630-F704 HydrophobicContact CZ-CZ 3.59Å; L688-F704 WeakPolarHBondContact CA-O 3.37Å; F689-F704 HydrophobicContact CD1-CB 4.06Å; F689-F704 HydrophobicContact CD2-CB 4.39Å; F689-F704 HydrophobicContact CD2-CD2 4.36Å; F689-F704 HydrophobicContact CE1-CB 3.48Å; F689-F704 VanDerWaalsContact CE1-CB 3.48Å; F689-F704 HydrophobicContact CE1-CG 4.46Å; F689-F704 HydrophobicContact CE2-CB 3.86Å; F689-F704 AromaticContact CE2-CD2 3.68Å; F689-F704 HydrophobicContact CE2-CD2 3.68Å; F689-F704 HydrophobicContact CE2-CG 4.11Å; F689-F704 HydrophobicContact CG-CB 4.49Å; F689-F704 HydrophobicContact CZ-CB 3.38Å; F689-F704 AromaticContact CZ-CD2 3.95Å; F689-F704 HydrophobicContact CZ-CD2 3.95Å; F689-F704 AromaticContact CZ-CG 3.89Å; F689-F704 HydrophobicContact CZ-CG 3.89Å; F689-F704 PolarHBondContact N-O 3.39Å; F689-F704 PolarHBondContact O-N 3.48Å; L691-F704 HydrophobicContact CB-CE2 4.46Å; L691-F704 HydrophobicContact CD1-CD2 4.45Å; L691-F704 HydrophobicContact CD1-CE2 4.16Å; L691-F704 HydrophobicContact CG-CD2 4.49Å; L691-F704 HydrophobicContact CG-CE2 4.42Å; Y702-F704 HydrophobicContact CD1-CZ 4.44Å; Y702-F704 HydrophobicContact CG-CE2 4.37Å; Y702-F704 HydrophobicContact CG-CZ 4.26Å
705	Q	88.3	Confident	82.3	Confident	44 Å²	44	60.7 Å²	60.7	21%	0.206	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.3	170.2	-177.8	172.9	35.2	0	0	109.3	T613 T614 L616 P686 N687 L688	T613-Q705 CarbonylContact C-O 3Å; T613-Q705 VanDerWaalsContact CA-O 3.25Å; T613-Q705 WeakPolarHBondContact CA-O 3.36Å; T614-Q705 PolarHBondContact N-O 3.26Å; T614-Q705 PolarHBondContact O-N 2.95Å; L616-Q705 HydrophobicContact CD1-CB 3.95Å; L616-Q705 HydrophobicContact CG-CB 4.33Å; P686-Q705 PolarHBondContact O-NE2 3.02Å; N687-Q705 CarbonylContact O-C 3.49Å; N687-Q705 WeakPolarHBondContact O-CA 3.34Å; L688-Q705 HydrophobicContact CD2-CB 4.21Å
706	M	87.5	Confident	82.7	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	152.4	170.6	-55.4	-176.5	172.5	0	0	110.3	V611 T613 N687 F689 V710 K715 F718 L719	V611-M706 HydrophobicContact CG1-CE 4.41Å; V611-M706 HydrophobicContact CG2-CB 4.4Å; V611-M706 HydrophobicContact CG2-CE 4.21Å; V611-M706 HydrophobicContact CG2-CG 4.03Å; V611-M706 HydrophobicContact CG2-SD 3.86Å; T613-M706 HydrophobicContact CG2-CG 4.16Å; N687-M706 HydrophobicContact CB-CB 4.07Å; N687-M706 PolarHBondContact O-N 3.44Å; F689-M706 HydrophobicContact CD1-CE 3.95Å; F689-M706 HydrophobicContact CD1-CG 3.96Å; F689-M706 HydrophobicContact CE1-CE 3.76Å; F689-M706 HydrophobicContact CE1-CG 3.61Å; F689-M706 HydrophobicContact CZ-CE 4.36Å; M706-V710 HydrophobicContact CB-CB 4.44Å; M706-V710 HydrophobicContact CB-CG2 4.39Å; M706-V710 HydrophobicContact SD-CG1 4.17Å; M706-K715 HydrophobicContact CE-CB 4.44Å; M706-K715 HydrophobicContact CE-CG 3.96Å; M706-K715 HydrophobicContact SD-CB 3.76Å; M706-K715 HydrophobicContact SD-CG 3.69Å; M706-F718 HydrophobicContact CE-CB 4.28Å; M706-F718 HydrophobicContact CE-CD1 3.49Å; M706-F718 VanDerWaalsContact CE-CD1 3.49Å; M706-F718 HydrophobicContact CE-CE1 4.21Å; M706-F718 HydrophobicContact CE-CG 4.19Å; M706-L719 HydrophobicContact CE-CD2 4.4Å
707	N	78.4	Confident	83.4	Confident	65 Å²	65	57.8 Å²	57.8	35%	0.348	33%	0.332	S	S	.	.			trans	-52.3	147.7	176.9	-78.5	-10.8	0	0	0	112.3	D612 N687 N709 V710	D612-N707 VanDerWaalsContact CB-ND2 3.27Å; D612-N707 WeakPolarHBondContact CB-ND2 3.48Å; D612-N707 PolarHBondContact O-N 2.81Å; N687-N707 PolarHBondContact ND2-O 3.42Å; N707-N709 PolarHBondContact O-N 2.76Å; N707-V710 PolarHBondContact O-N 3.07Å; N707-V710 VanDerWaalsContact O-N 3.08Å
708	Q	65.8	Low	84.1	Confident	169 Å²	169	50.5 Å²	50.5	79%	0.79	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.9	-175.7	-66.5	-179.4	0	0	0	113.8	V710	Q708-V710 VanDerWaalsContact C-N 3.3Å; Q708-V710 PolarHBondContact O-N 3.39Å
709	N	70.9	Confident	84.5	Confident	165 Å²	165	49 Å²	49	88%	0.882	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.1	179.2	-63.2	-1.1	0	0	0	113.5	N707	N707-N709 PolarHBondContact O-N 2.76Å
710	V	74.5	Confident	84.7	Confident	38 Å²	38	52.1 Å²	52.1	23%	0.23	29%	0.291	C	S	.	.	S	Bend	trans	-85.2	125.6	179.8	-176	0	0	0	0	109	N687 M706 N707 Q708 A714	N687-V710 PolarHBondContact ND2-O 3.07Å; M706-V710 HydrophobicContact CB-CB 4.44Å; M706-V710 HydrophobicContact CB-CG2 4.39Å; M706-V710 HydrophobicContact SD-CG1 4.17Å; N707-V710 PolarHBondContact O-N 3.07Å; N707-V710 VanDerWaalsContact O-N 3.08Å; Q708-V710 VanDerWaalsContact C-N 3.3Å; Q708-V710 PolarHBondContact O-N 3.39Å; V710-A714 HydrophobicContact CG1-CB 3.74Å
711	S	79.7	Confident	84.9	Confident	68 Å²	68	51.7 Å²	51.7	48%	0.476	29%	0.29	S	S	.	.			trans	-66	152.8	175.7	68.8	0	0	0	0	111.2	D713 A714 K715	S711-D713 PolarHBondContact O-N 3.37Å; S711-A714 PolarHBondContact O-N 2.91Å; S711-A714 VanDerWaalsContact O-N 3.12Å; S711-A714 VanDerWaalsContact OG-CB 3.3Å; S711-A714 WeakPolarHBondContact OG-CB 3.44Å; S711-A714 PolarHBondContact OG-N 3.47Å; S711-A714 VanDerWaalsContact OG-N 3.15Å; S711-K715 PolarHBondContact O-N 2.92Å
712	A	79	Confident	85.1	Confident	65 Å²	65	50.7 Å²	50.7	54%	0.537	29%	0.285	S	S	.	.	H	α-helix	trans	-57.6	-35.7	176.6	0	0	0	0	0	112	K715 V716	A712-K715 WeakPolarHBondContact O-CB 3.23Å; A712-K715 PolarHBondContact O-N 2.94Å; A712-V716 WeakPolarHBondContact O-CG2 3.31Å; A712-V716 PolarHBondContact O-N 3.48Å; A712-V716 VanDerWaalsContact O-N 3.09Å
713	D	84	Confident	85.3	Confident	118 Å²	118	50.8 Å²	50.8	63%	0.631	29%	0.286	S	S	*	.	H	α-helix	trans	-67.6	-40	176.4	-173.9	60.1	0	0	0	112.8	S711 K715 V716 T717	S711-D713 PolarHBondContact O-N 3.37Å; D713-K715 VanDerWaalsContact C-N 3.34Å; D713-K715 PolarHBondContact O-N 2.76Å; D713-V716 PolarHBondContact O-N 2.82Å; D713-T717 VanDerWaalsContact O-CB 3.32Å; D713-T717 WeakPolarHBondContact O-CB 3.47Å; D713-T717 PolarHBondContact O-N 2.99Å; D713-T717 PolarHBondContact O-OG1 3.18Å
714	A	85.7	Confident	85.4	Confident	42 Å²	42	56.4 Å²	56.4	35%	0.347	31%	0.31	S	S	.	.	H	α-helix	trans	-64.8	-38.3	175.2	0	0	0	0	0	111.8	V710 S711 T717 F718	V710-A714 HydrophobicContact CG1-CB 3.74Å; S711-A714 PolarHBondContact O-N 2.91Å; S711-A714 VanDerWaalsContact O-N 3.12Å; S711-A714 VanDerWaalsContact OG-CB 3.3Å; S711-A714 WeakPolarHBondContact OG-CB 3.44Å; S711-A714 PolarHBondContact OG-N 3.47Å; S711-A714 VanDerWaalsContact OG-N 3.15Å; A714-T717 PolarHBondContact O-N 3.43Å; A714-F718 WeakPolarHBondContact O-CB 3.37Å; A714-F718 PolarHBondContact O-N 2.96Å
715	K	88.1	Confident	85.4	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.017	32%	0.315	C	S	.	.	H	α-helix	trans	-58	-54.5	172.4	177.2	-174	83.4	160.1	0	110.9	D679 V680 M706 S711 A712 D713 T717 F718 L719	D679-K715 WeakPolarHBondContact OD1-CE 3.21Å; D679-K715 IonicContact OD1-NZ 3.76Å; D679-K715 PolarHBondContact OD1-NZ 3.41Å; D679-K715 IonicContact OD2-NZ 3.03Å; V680-K715 PolarHBondContact O-NZ 2.98Å; M706-K715 HydrophobicContact CE-CB 4.44Å; M706-K715 HydrophobicContact CE-CG 3.96Å; M706-K715 HydrophobicContact SD-CB 3.76Å; M706-K715 HydrophobicContact SD-CG 3.69Å; S711-K715 PolarHBondContact O-N 2.92Å; A712-K715 WeakPolarHBondContact O-CB 3.23Å; A712-K715 PolarHBondContact O-N 2.94Å; D713-K715 VanDerWaalsContact C-N 3.34Å; D713-K715 PolarHBondContact O-N 2.76Å; K715-T717 VanDerWaalsContact C-N 3.28Å; K715-T717 PolarHBondContact O-N 3.48Å; K715-F718 PolarHBondContact O-N 3.04Å; K715-L719 HydrophobicContact CG-CD1 4.07Å; K715-L719 WeakPolarHBondContact O-CG 3.5Å; K715-L719 PolarHBondContact O-N 3.02Å
716	V	89.1	Confident	85.5	Confident	33 Å²	33	55.2 Å²	55.2	20%	0.2	31%	0.305	C	S	.	.	H	α-helix	trans	-61.1	-40.1	-178.8	173.6	0	0	0	0	110.9	A712 D713 L719 K720 L737	A712-V716 WeakPolarHBondContact O-CG2 3.31Å; A712-V716 PolarHBondContact O-N 3.48Å; A712-V716 VanDerWaalsContact O-N 3.09Å; D713-V716 PolarHBondContact O-N 2.82Å; V716-L719 PolarHBondContact O-N 3.26Å; V716-K720 HydrophobicContact CG1-CD 3.94Å; V716-K720 HydrophobicContact CG1-CG 4.29Å; V716-K720 WeakPolarHBondContact O-CB 3.28Å; V716-K720 VanDerWaalsContact O-CG 3.29Å; V716-K720 WeakPolarHBondContact O-CG 3.39Å; V716-K720 PolarHBondContact O-N 3.14Å; V716-L737 HydrophobicContact CG1-CD2 4.36Å
717	T	90.9	Very high	85.6	Confident	71 Å²	71	57.9 Å²	57.9	44%	0.436	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-42.3	177.1	-62.4	0	0	0	0	112.2	D713 A714 K715 S721	D713-T717 VanDerWaalsContact O-CB 3.32Å; D713-T717 WeakPolarHBondContact O-CB 3.47Å; D713-T717 PolarHBondContact O-N 2.99Å; D713-T717 PolarHBondContact O-OG1 3.18Å; A714-T717 PolarHBondContact O-N 3.43Å; K715-T717 VanDerWaalsContact C-N 3.28Å; K715-T717 PolarHBondContact O-N 3.48Å; T717-S721 WeakPolarHBondContact O-CB 3.38Å; T717-S721 PolarHBondContact O-N 3.47Å; T717-S721 PolarHBondContact O-OG 3.47Å
718	F	91.2	Very high	85.9	Confident	14 Å²	14	61 Å²	61	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-64.6	-46.7	175	-179.3	-99.6	0	0	0	111.8	A609 V611 F630 L632 M706 A714 K715 K720 S721 I722	A609-F718 HydrophobicContact CB-CD2 3.98Å; A609-F718 HydrophobicContact CB-CE2 4.09Å; V611-F718 HydrophobicContact CB-CD2 4.41Å; V611-F718 HydrophobicContact CB-CE1 4.44Å; V611-F718 HydrophobicContact CB-CE2 4.27Å; V611-F718 HydrophobicContact CB-CZ 4.29Å; V611-F718 HydrophobicContact CG1-CD1 3.92Å; V611-F718 HydrophobicContact CG1-CD2 4.27Å; V611-F718 HydrophobicContact CG1-CE1 3.4Å; V611-F718 HydrophobicContact CG1-CE2 3.82Å; V611-F718 HydrophobicContact CG1-CG 4.32Å; V611-F718 HydrophobicContact CG1-CZ 3.36Å; F630-F718 HydrophobicContact CB-CZ 4.27Å; L632-F718 HydrophobicContact CB-CE2 4.03Å; L632-F718 HydrophobicContact CB-CZ 4.39Å; L632-F718 HydrophobicContact CD2-CE2 4.35Å; M706-F718 HydrophobicContact CE-CB 4.28Å; M706-F718 HydrophobicContact CE-CD1 3.49Å; M706-F718 VanDerWaalsContact CE-CD1 3.49Å; M706-F718 HydrophobicContact CE-CE1 4.21Å; M706-F718 HydrophobicContact CE-CG 4.19Å; A714-F718 WeakPolarHBondContact O-CB 3.37Å; A714-F718 PolarHBondContact O-N 2.96Å; K715-F718 PolarHBondContact O-N 3.04Å; F718-K720 PolarHBondContact O-N 3.4Å; F718-S721 WeakPolarHBondContact O-CA 3.32Å; F718-S721 VanDerWaalsContact O-CB 3.28Å; F718-S721 WeakPolarHBondContact O-CB 3.49Å; F718-S721 PolarHBondContact O-N 3.38Å; F718-I722 HydrophobicContact CD1-CD1 4.1Å; F718-I722 HydrophobicContact CE1-CD1 3.54Å; F718-I722 HydrophobicContact CE1-CG1 4.16Å; F718-I722 HydrophobicContact CZ-CD1 4.07Å; F718-I722 HydrophobicContact CZ-CG1 4.36Å; F718-I722 PolarHBondContact O-N 3.44Å
719	L	92.3	Very high	86.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-42.5	178.8	-63.8	177.5	0	0	0	112	V677 D679 F689 M706 K715 V716 S721 I722 C723 L737	V677-L719 HydrophobicContact CG1-CB 4.12Å; V677-L719 HydrophobicContact CG1-CD2 3.82Å; V677-L719 HydrophobicContact CG1-CG 4.44Å; D679-L719 HydrophobicContact CB-CD1 3.89Å; F689-L719 HydrophobicContact CB-CD1 3.93Å; F689-L719 HydrophobicContact CB-CD2 4Å; F689-L719 HydrophobicContact CD2-CD2 3.75Å; F689-L719 HydrophobicContact CE2-CD2 4.36Å; F689-L719 HydrophobicContact CG-CD2 3.89Å; M706-L719 HydrophobicContact CE-CD2 4.4Å; K715-L719 HydrophobicContact CG-CD1 4.07Å; K715-L719 WeakPolarHBondContact O-CG 3.5Å; K715-L719 PolarHBondContact O-N 3.02Å; V716-L719 PolarHBondContact O-N 3.26Å; L719-S721 PolarHBondContact O-N 3.03Å; L719-I722 PolarHBondContact O-N 3.15Å; L719-C723 PolarHBondContact O-N 3.42Å; L719-C723 PolarHBondContact O-SG 3.2Å; L719-L737 HydrophobicContact CB-CD1 3.8Å; L719-L737 HydrophobicContact CB-CD2 4.07Å; L719-L737 HydrophobicContact CD1-CD1 4.16Å
720	K	92.2	Very high	87.3	Confident	129 Å²	129	49.6 Å²	49.6	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-59.8	-36.3	171.5	-76.2	177.5	178.3	175.4	0	111.9	V716 F718 C723 K724 L737	V716-K720 HydrophobicContact CG1-CD 3.94Å; V716-K720 HydrophobicContact CG1-CG 4.29Å; V716-K720 WeakPolarHBondContact O-CB 3.28Å; V716-K720 VanDerWaalsContact O-CG 3.29Å; V716-K720 WeakPolarHBondContact O-CG 3.39Å; V716-K720 PolarHBondContact O-N 3.14Å; F718-K720 PolarHBondContact O-N 3.4Å; K720-C723 PolarHBondContact O-N 3.38Å; K720-K724 WeakPolarHBondContact O-CB 3.39Å; K720-K724 PolarHBondContact O-N 3.17Å; K720-L737 HydrophobicContact CG-CD2 4.21Å
721	S	91	Very high	87.4	Confident	30 Å²	30	53.3 Å²	53.3	21%	0.21	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-41.2	176.1	-61.2	0	0	0	0	111.8	T717 F718 L719 K724 Q725	T717-S721 WeakPolarHBondContact O-CB 3.38Å; T717-S721 PolarHBondContact O-N 3.47Å; T717-S721 PolarHBondContact O-OG 3.47Å; F718-S721 WeakPolarHBondContact O-CA 3.32Å; F718-S721 VanDerWaalsContact O-CB 3.28Å; F718-S721 WeakPolarHBondContact O-CB 3.49Å; F718-S721 PolarHBondContact O-N 3.38Å; L719-S721 PolarHBondContact O-N 3.03Å; S721-K724 PolarHBondContact O-N 3.48Å; S721-Q725 WeakPolarHBondContact O-CG 3.18Å; S721-Q725 PolarHBondContact O-N 3.18Å; S721-Q725 VanDerWaalsContact O-N 3.1Å
722	I	92.3	Very high	87.3	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-52.1	171.8	-61.4	177	0	0	0	110	L632 I674 V677 F718 L719 K724 Q725 V726	L632-I722 HydrophobicContact CD1-CG1 4.18Å; L632-I722 HydrophobicContact CD2-CG1 4.08Å; I674-I722 HydrophobicContact CD1-CG2 3.9Å; V677-I722 HydrophobicContact CG2-CG2 3.91Å; F718-I722 HydrophobicContact CD1-CD1 4.1Å; F718-I722 HydrophobicContact CE1-CD1 3.54Å; F718-I722 HydrophobicContact CE1-CG1 4.16Å; F718-I722 HydrophobicContact CZ-CD1 4.07Å; F718-I722 HydrophobicContact CZ-CG1 4.36Å; F718-I722 PolarHBondContact O-N 3.44Å; L719-I722 PolarHBondContact O-N 3.15Å; I722-K724 VanDerWaalsContact C-N 3.25Å; I722-K724 PolarHBondContact O-N 3.02Å; I722-Q725 PolarHBondContact O-N 3.05Å; I722-V726 HydrophobicContact CG2-CG2 4.21Å; I722-V726 WeakPolarHBondContact O-CG2 3.25Å; I722-V726 PolarHBondContact O-N 3.01Å
723	C	91.7	Very high	87.1	Confident	7 Å²	7	54.8 Å²	54.8	5%	0.047	31%	0.31	C	S	.	.	H	α-helix	trans	-56.3	-41.8	-179.5	-65.1	0	0	0	0	112	L719 K720 Q725 V726 L727 F735	L719-C723 PolarHBondContact O-N 3.42Å; L719-C723 PolarHBondContact O-SG 3.2Å; K720-C723 PolarHBondContact O-N 3.38Å; C723-Q725 PolarHBondContact O-N 2.56Å; C723-V726 PolarHBondContact O-N 2.92Å; C723-L727 WeakPolarHBondContact O-CG 3.44Å; C723-L727 PolarHBondContact O-N 3.04Å; C723-F735 HydrophobicContact CB-CD1 3.92Å; C723-F735 HydrophobicContact CB-CE1 4.32Å
724	K	90.9	Very high	86.9	Confident	119 Å²	119	56.5 Å²	56.5	52%	0.517	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-39.6	176.3	-173.3	176.9	-177.2	176.4	0	112.6	K720 S721 I722 K728	K720-K724 WeakPolarHBondContact O-CB 3.39Å; K720-K724 PolarHBondContact O-N 3.17Å; S721-K724 PolarHBondContact O-N 3.48Å; I722-K724 VanDerWaalsContact C-N 3.25Å; I722-K724 PolarHBondContact O-N 3.02Å; K724-K728 HydrophobicContact CG-CD 4.48Å; K724-K728 VanDerWaalsContact O-CG 3.28Å; K724-K728 WeakPolarHBondContact O-CG 3.4Å; K724-K728 PolarHBondContact O-N 2.82Å; K724-K728 VanDerWaalsContact O-N 3.14Å
725	Q	90.2	Very high	86.9	Confident	20 Å²	20	55.4 Å²	55.4	9%	0.093	30%	0.301	C	S	.	.	H	α-helix	trans	-73.7	-35.8	176.7	-61.4	-45.8	-34.4	0	0	112.5	I608 L632 N634 M671 S721 I722 C723 L727 K728 T729	I608-Q725 HydrophobicContact CD1-CG 3.43Å; I608-Q725 VanDerWaalsContact CD1-CG 3.43Å; L632-Q725 HydrophobicContact CD1-CG 4.36Å; N634-Q725 PolarHBondContact O-OE1 3.41Å; M671-Q725 HydrophobicContact CE-CB 4.5Å; M671-Q725 HydrophobicContact CG-CB 4.34Å; M671-Q725 HydrophobicContact SD-CB 3.73Å; S721-Q725 WeakPolarHBondContact O-CG 3.18Å; S721-Q725 PolarHBondContact O-N 3.18Å; S721-Q725 VanDerWaalsContact O-N 3.1Å; I722-Q725 PolarHBondContact O-N 3.05Å; C723-Q725 PolarHBondContact O-N 2.56Å; Q725-L727 PolarHBondContact O-N 3.04Å; Q725-K728 PolarHBondContact O-N 3.29Å; Q725-T729 VanDerWaalsContact O-CB 3.3Å; Q725-T729 WeakPolarHBondContact O-CB 3.31Å; Q725-T729 PolarHBondContact O-N 2.84Å; Q725-T729 PolarHBondContact O-OG1 3.01Å
726	V	90.4	Very high	86.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62	-44.3	173	176.7	0	0	0	0	110.8	M671 I674 I722 C723 K728 A730 F735	M671-V726 HydrophobicContact CB-CG2 4.4Å; M671-V726 HydrophobicContact SD-CG2 3.82Å; I674-V726 HydrophobicContact CB-CG2 4.05Å; I674-V726 HydrophobicContact CD1-CG2 4.31Å; I674-V726 HydrophobicContact CG2-CG2 4.26Å; I722-V726 HydrophobicContact CG2-CG2 4.21Å; I722-V726 WeakPolarHBondContact O-CG2 3.25Å; I722-V726 PolarHBondContact O-N 3.01Å; C723-V726 PolarHBondContact O-N 2.92Å; V726-K728 PolarHBondContact O-N 2.76Å; V726-A730 HydrophobicContact CG1-CB 4.32Å; V726-A730 WeakPolarHBondContact O-CA 3.43Å; V726-A730 WeakPolarHBondContact O-CB 3.25Å; V726-A730 PolarHBondContact O-N 3.34Å; V726-F735 HydrophobicContact CB-CD1 3.9Å; V726-F735 HydrophobicContact CB-CE1 3.96Å; V726-F735 HydrophobicContact CB-CG 4.38Å; V726-F735 HydrophobicContact CB-CZ 4.49Å; V726-F735 HydrophobicContact CG1-CD1 3.84Å; V726-F735 HydrophobicContact CG1-CD2 3.99Å; V726-F735 HydrophobicContact CG1-CE1 3.9Å; V726-F735 HydrophobicContact CG1-CE2 4.04Å; V726-F735 HydrophobicContact CG1-CG 3.87Å; V726-F735 HydrophobicContact CG1-CZ 4Å; V726-F735 HydrophobicContact CG2-CE1 4.13Å
727	L	88.8	Confident	86.7	Confident	57 Å²	57	61.1 Å²	61.1	30%	0.298	33%	0.331	S	S	.	.	H	α-helix	trans	-57.1	-49.1	174.5	-79.4	162.2	0	0	0	112.1	C723 Q725 C731 R732 F735	C723-L727 WeakPolarHBondContact O-CG 3.44Å; C723-L727 PolarHBondContact O-N 3.04Å; Q725-L727 PolarHBondContact O-N 3.04Å; L727-C731 PolarHBondContact O-N 3.26Å; L727-R732 WeakPolarHBondContact CD2-O 3.41Å; L727-F735 HydrophobicContact CD2-CB 3.76Å; L727-F735 HydrophobicContact CG-CB 3.82Å
728	K	86.3	Confident	86.5	Confident	132 Å²	132	62.2 Å²	62.2	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-65.9	-43.1	-177.4	-75.5	177.9	173.2	-162	0	112.9	K724 Q725 V726	K724-K728 HydrophobicContact CG-CD 4.48Å; K724-K728 VanDerWaalsContact O-CG 3.28Å; K724-K728 WeakPolarHBondContact O-CG 3.4Å; K724-K728 PolarHBondContact O-N 2.82Å; K724-K728 VanDerWaalsContact O-N 3.14Å; Q725-K728 PolarHBondContact O-N 3.29Å; V726-K728 PolarHBondContact O-N 2.76Å
729	T	85.9	Confident	86.1	Confident	65 Å²	65	68.9 Å²	68.9	40%	0.399	36%	0.356	S	S	.	.	H	α-helix	trans	-93.1	-34.4	-169	-57.7	0	0	0	0	112.6	N634 M671 Q725	N634-T729 PolarHBondContact O-OG1 3.08Å; M671-T729 HydrophobicContact CB-CG2 4.01Å; M671-T729 HydrophobicContact CG-CG2 4.38Å; Q725-T729 VanDerWaalsContact O-CB 3.3Å; Q725-T729 WeakPolarHBondContact O-CB 3.31Å; Q725-T729 PolarHBondContact O-N 2.84Å; Q725-T729 PolarHBondContact O-OG1 3.01Å
730	A	80.2	Confident	85.5	Confident	28 Å²	28	69.6 Å²	69.6	23%	0.231	36%	0.359	C	S	.	.	H	α-helix	trans	-91.7	2.2	-178.9	0	0	0	0	0	113.7	V726 R732	V726-A730 HydrophobicContact CG1-CB 4.32Å; V726-A730 WeakPolarHBondContact O-CA 3.43Å; V726-A730 WeakPolarHBondContact O-CB 3.25Å; V726-A730 PolarHBondContact O-N 3.34Å; A730-R732 HydrophobicContact CB-CG 4.14Å; A730-R732 PolarHBondContact O-N 2.68Å; A730-R732 VanDerWaalsContact O-N 3.12Å
731	C	75.2	Confident	84.5	Confident	117 Å²	117	69 Å²	69	79%	0.791	36%	0.359	S	S	*	.			trans	48.5	38.5	-178.9	-59.2	0	0	0	0	113.5	L727	L727-C731 PolarHBondContact O-N 3.26Å
732	R	78.3	Confident	83.4	Confident	59 Å²	59	69.5 Å²	69.5	22%	0.223	36%	0.362	C	S	.	.			trans	-81.8	140.8	176.1	-66.8	-173.7	-178.8	156.2	8	109.7	S672 I674 L727 A730 E734 F735	S672-R732 PolarHBondContact O-NH2 3.32Å; I674-R732 PolarHBondContact O-NH1 3.19Å; I674-R732 PolarHBondContact O-NH2 2.87Å; L727-R732 WeakPolarHBondContact CD2-O 3.41Å; A730-R732 HydrophobicContact CB-CG 4.14Å; A730-R732 PolarHBondContact O-N 2.68Å; A730-R732 VanDerWaalsContact O-N 3.12Å; R732-E734 VanDerWaalsContact C-N 3.34Å; R732-F735 VanDerWaalsContact NH1-CD2 3.31Å
733	A	74.2	Confident	82.2	Confident	104 Å²	104	71.3 Å²	71.3	86%	0.86	37%	0.371	S	S	*	.	S	Bend	trans	-62.9	-41.8	177.1	0	0	0	0	0	111.8
734	E	81	Confident	80.8	Confident	155 Å²	155	79.8 Å²	79.8	72%	0.724	41%	0.41	S	S	*	.			trans	-142.8	142.6	177.9	-64.2	-172	166.6	0	0	110.9	R732	R732-E734 VanDerWaalsContact C-N 3.34Å
735	F	84.6	Confident	79.5	Confident	18 Å²	18	80 Å²	80	8%	0.079	42%	0.416	C	S	.	.			trans	-158.5	88.8	175.4	-167.6	-94	0	0	0	108.8	I674 R675 V677 C723 V726 L727 R732	I674-F735 HydrophobicContact CG2-CZ 4.19Å; R675-F735 VanDerWaalsContact O-CE2 3.25Å; R675-F735 WeakPolarHBondContact O-CE2 3.37Å; V677-F735 HydrophobicContact CB-CE1 4.49Å; V677-F735 HydrophobicContact CG2-CE1 3.78Å; V677-F735 HydrophobicContact CG2-CZ 4.1Å; C723-F735 HydrophobicContact CB-CD1 3.92Å; C723-F735 HydrophobicContact CB-CE1 4.32Å; V726-F735 HydrophobicContact CB-CD1 3.9Å; V726-F735 HydrophobicContact CB-CE1 3.96Å; V726-F735 HydrophobicContact CB-CG 4.38Å; V726-F735 HydrophobicContact CB-CZ 4.49Å; V726-F735 HydrophobicContact CG1-CD1 3.84Å; V726-F735 HydrophobicContact CG1-CD2 3.99Å; V726-F735 HydrophobicContact CG1-CE1 3.9Å; V726-F735 HydrophobicContact CG1-CE2 4.04Å; V726-F735 HydrophobicContact CG1-CG 3.87Å; V726-F735 HydrophobicContact CG1-CZ 4Å; V726-F735 HydrophobicContact CG2-CE1 4.13Å; L727-F735 HydrophobicContact CD2-CB 3.76Å; L727-F735 HydrophobicContact CG-CB 3.82Å; R732-F735 VanDerWaalsContact NH1-CD2 3.31Å
736	N	85.8	Confident	78.5	Confident	115 Å²	115	80.2 Å²	80.2	62%	0.615	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-98.2	150.3	-173.7	-65.1	-43.4	0	0	0	111.2	Q738	N736-Q738 PolarHBondContact O-N 3.19Å
737	L	87.8	Confident	77.5	Confident	43 Å²	43	88.4 Å²	88.4	23%	0.225	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-66.2	119.4	171.1	179.6	61.7	0	0	0	108.9	V677 D679 V716 L719 K720	V677-L737 HydrophobicContact CB-CD1 4.21Å; V677-L737 HydrophobicContact CG1-CD1 3.63Å; D679-L737 HydrophobicContact CB-CD1 4.08Å; D679-L737 HydrophobicContact CB-CD2 4.23Å; D679-L737 HydrophobicContact CB-CG 4.21Å; V716-L737 HydrophobicContact CG1-CD2 4.36Å; L719-L737 HydrophobicContact CB-CD1 3.8Å; L719-L737 HydrophobicContact CB-CD2 4.07Å; L719-L737 HydrophobicContact CD1-CD1 4.16Å; K720-L737 HydrophobicContact CG-CD2 4.21Å
738	Q	86.1	Confident	76.9	Confident	94 Å²	94	88 Å²	88	44%	0.439	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.3	174.6	-65.3	179.5	-8.1	0	0	108.7	V677 V678 D679 N736	V677-Q738 PolarHBondContact O-N 2.84Å; V677-Q738 VanDerWaalsContact O-N 3.1Å; V678-Q738 CarbonylContact C-O 3.51Å; V678-Q738 VanDerWaalsContact CA-O 3.32Å; V678-Q738 WeakPolarHBondContact CA-O 3.5Å; V678-Q738 HydrophobicContact CG1-CB 4.44Å; V678-Q738 HydrophobicContact CG2-CB 4.27Å; D679-Q738 PolarHBondContact N-O 2.6Å; N736-Q738 PolarHBondContact O-N 3.19Å
739	R	82.1	Confident	76.5	Confident	154 Å²	154	86.1 Å²	86.1	58%	0.581	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	129.3	176	-166.1	178.6	-172.7	171.6	-0.8	109.3	D681 E741	D681-R739 IonicContact OD2-CZ 3.45Å; D681-R739 IonicContact OD2-NE 3.43Å; D681-R739 IonicContact OD2-NH2 2.68Å; D681-R739 PolarHBondContact OD2-NH2 2.82Å; R739-E741 HydrophobicContact CG-CG 4.39Å; R739-E741 IonicContact NE-OE1 2.7Å
740	L	79.6	Confident	76.2	Confident	14 Å²	14	89.1 Å²	89.1	7%	0.073	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	109.4	176.8	-171.7	70.6	0	0	0	109.6	V678 D679 D681 F682 S742 C746 I755	V678-L740 HydrophobicContact CG1-CB 3.97Å; D679-L740 PolarHBondContact O-N 3.15Å; D681-L740 PolarHBondContact N-O 2.89Å; F682-L740 HydrophobicContact CE1-CG 4.46Å; F682-L740 HydrophobicContact CZ-CD2 4.13Å; L740-S742 WeakPolarHBondContact CD1-O 3.42Å; L740-C746 HydrophobicContact CD1-CB 3.99Å; L740-C746 HydrophobicContact CD2-CB 4.48Å; L740-I755 HydrophobicContact CD2-CD1 3.57Å
741	E	72	Confident	76.3	Confident	117 Å²	117	88 Å²	88	55%	0.547	47%	0.465	S	S	.	.	S	Bend	trans	-94.1	-27.8	-179.2	-62	-179.2	175.4	0	0	112.3	F682 R739	F682-E741 WeakPolarHBondContact CD1-O 3.42Å; R739-E741 HydrophobicContact CG-CG 4.39Å; R739-E741 IonicContact NE-OE1 2.7Å
742	S	67	Low	76.5	Confident	40 Å²	40	83.1 Å²	83.1	28%	0.28	43%	0.433	S	S	.	.			trans	-142.4	142.4	175	-179.7	0	0	0	0	110.6	L740 E744 L745	L740-S742 WeakPolarHBondContact CD1-O 3.42Å; S742-E744 PolarHBondContact O-N 3.34Å; S742-E744 PolarHBondContact OG-N 3.37Å; S742-L745 PolarHBondContact O-N 3.2Å
743	I	67.4	Low	76.7	Confident	39 Å²	39	86.8 Å²	86.8	20%	0.2	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-63.4	-29	176.3	-63	179.5	0	0	0	111.2	F682 L745 C746 A752 I755 N756 T759	F682-I743 HydrophobicContact CE1-CG1 3.97Å; F682-I743 HydrophobicContact CE2-CD1 3.82Å; F682-I743 HydrophobicContact CE2-CG1 3.72Å; F682-I743 HydrophobicContact CZ-CB 4.49Å; F682-I743 HydrophobicContact CZ-CD1 3.88Å; F682-I743 HydrophobicContact CZ-CG1 3.22Å; I743-L745 PolarHBondContact O-N 3.38Å; I743-C746 WeakPolarHBondContact O-CB 3.33Å; I743-C746 PolarHBondContact O-N 3.38Å; I743-C746 VanDerWaalsContact O-N 3.13Å; I743-A752 HydrophobicContact CG2-CB 4.24Å; I743-I755 HydrophobicContact CD1-CG2 4.14Å; I743-I755 HydrophobicContact CG1-CG2 4.31Å; I743-N756 WeakPolarHBondContact CD1-OD1 3.5Å; I743-N756 WeakPolarHBondContact CG2-ND2 3.36Å; I743-T759 HydrophobicContact CD1-CG2 4.28Å
744	E	62.1	Low	77	Confident	186 Å²	186	82.6 Å²	82.6	87%	0.869	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-65.8	-19.1	179.3	-64.7	173.8	177.9	0	0	112.8	S742 C746	S742-E744 PolarHBondContact O-N 3.34Å; S742-E744 PolarHBondContact OG-N 3.37Å; E744-C746 VanDerWaalsContact C-N 3.35Å
745	L	64.8	Low	77	Confident	123 Å²	123	75.2 Å²	75.2	64%	0.644	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-91.5	4.3	178.1	-62.8	167.8	0	0	0	112.8	S742 I743	S742-L745 PolarHBondContact O-N 3.2Å; I743-L745 PolarHBondContact O-N 3.38Å
746	C	69.9	Low	76.9	Confident	24 Å²	24	77.2 Å²	77.2	16%	0.162	39%	0.392	C	S	.	.			trans	-93	104.9	-177.2	-165.6	0	0	0	0	110.9	L740 I743 E744 D748 A752	L740-C746 HydrophobicContact CD1-CB 3.99Å; L740-C746 HydrophobicContact CD2-CB 4.48Å; I743-C746 WeakPolarHBondContact O-CB 3.33Å; I743-C746 PolarHBondContact O-N 3.38Å; I743-C746 VanDerWaalsContact O-N 3.13Å; E744-C746 VanDerWaalsContact C-N 3.35Å; C746-D748 PolarHBondContact O-N 2.86Å; C746-A752 HydrophobicContact CB-CB 4.03Å
747	D	68.3	Low	76.7	Confident	172 Å²	172	76.6 Å²	76.6	92%	0.92	38%	0.384	S	S	*	.			trans	-65.4	-21.3	176.7	-63.4	-31.1	0	0	0	113.3	S749	D747-S749 PolarHBondContact O-N 3.39Å
748	D	77.1	Confident	76.2	Confident	48 Å²	48	74.6 Å²	74.6	26%	0.257	37%	0.374	S	S	.	.			trans	-91.6	103.8	-178.6	-176.9	-16.6	0	0	0	111.3	R676 C746 E750 L751 A752	R676-D748 IonicContact CZ-OD2 2.79Å; R676-D748 IonicContact NH1-OD2 3.39Å; R676-D748 PolarHBondContact NH1-OD2 3.41Å; R676-D748 IonicContact NH2-OD2 2.75Å; R676-D748 PolarHBondContact NH2-OD2 3.41Å; C746-D748 PolarHBondContact O-N 2.86Å; D748-E750 PolarHBondContact O-N 3.32Å; D748-E750 PolarHBondContact OD1-N 2.99Å; D748-L751 HydrophobicContact CB-CB 3.96Å; D748-L751 PolarHBondContact O-N 3.43Å; D748-L751 PolarHBondContact OD1-N 2.96Å; D748-A752 WeakPolarHBondContact O-CB 3.15Å; D748-A752 PolarHBondContact O-N 3.41Å
749	S	77.9	Confident	75.8	Confident	94 Å²	94	71.1 Å²	71.1	66%	0.657	36%	0.359	S	S	*	.	H	α-helix	trans	-59.3	-32.7	-176.8	84.6	0	0	0	0	113.5	D747 F753	D747-S749 PolarHBondContact O-N 3.39Å; S749-F753 WeakPolarHBondContact O-CB 2.98Å; S749-F753 PolarHBondContact O-N 3.01Å
750	E	79.4	Confident	75.6	Confident	128 Å²	128	70.5 Å²	70.5	60%	0.598	36%	0.36	S	S	*	.	H	α-helix	trans	-75.4	-39.7	-178.8	-65.3	-169.6	170.5	0	0	111.5	D748 F753 S754	D748-E750 PolarHBondContact O-N 3.32Å; D748-E750 PolarHBondContact OD1-N 2.99Å; E750-F753 PolarHBondContact O-N 2.92Å; E750-S754 PolarHBondContact O-N 2.85Å
751	L	80.8	Confident	75.3	Confident	5 Å²	5	72.1 Å²	72.1	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-65.2	-48.4	174.5	178.7	62.3	0	0	0	110.4	V678 C690 N701 D748 F753 S754 I755	V678-L751 HydrophobicContact CG2-CD2 4.09Å; C690-L751 HydrophobicContact CB-CD1 4.15Å; C690-L751 WeakPolarHBondContact SG-CD1 3.33Å; N701-L751 HydrophobicContact CB-CD1 4.34Å; N701-L751 PolarHBondContact ND2-N 3.24Å; D748-L751 HydrophobicContact CB-CB 3.96Å; D748-L751 PolarHBondContact O-N 3.43Å; D748-L751 PolarHBondContact OD1-N 2.96Å; L751-F753 VanDerWaalsContact C-N 3.26Å; L751-F753 PolarHBondContact O-N 2.91Å; L751-S754 PolarHBondContact O-N 3.11Å; L751-I755 HydrophobicContact CD1-CD1 3.81Å; L751-I755 HydrophobicContact CD1-CG1 4.23Å; L751-I755 HydrophobicContact CG-CD1 3.85Å; L751-I755 WeakPolarHBondContact O-CG1 3.35Å; L751-I755 PolarHBondContact O-N 3.24Å
752	A	80.7	Confident	75.2	Confident	13 Å²	13	67.6 Å²	67.6	11%	0.107	35%	0.346	C	S	.	.	H	α-helix	trans	-57.3	-41.1	175.7	0	0	0	0	0	111.4	I743 C746 D748 N756	I743-A752 HydrophobicContact CG2-CB 4.24Å; C746-A752 HydrophobicContact CB-CB 4.03Å; D748-A752 WeakPolarHBondContact O-CB 3.15Å; D748-A752 PolarHBondContact O-N 3.41Å; A752-N756 VanDerWaalsContact O-CB 3.23Å; A752-N756 WeakPolarHBondContact O-CB 3.39Å; A752-N756 PolarHBondContact O-N 2.61Å; A752-N756 PolarHBondContact O-ND2 3.31Å
753	F	81.2	Confident	75.3	Confident	137 Å²	137	69.3 Å²	69.3	60%	0.601	36%	0.358	S	S	*	.	H	α-helix	trans	-64.8	-45.5	176.4	-177.6	-99.4	0	0	0	112.8	S749 E750 L751 N756 K757	S749-F753 WeakPolarHBondContact O-CB 2.98Å; S749-F753 PolarHBondContact O-N 3.01Å; E750-F753 PolarHBondContact O-N 2.92Å; L751-F753 VanDerWaalsContact C-N 3.26Å; L751-F753 PolarHBondContact O-N 2.91Å; F753-N756 PolarHBondContact O-N 3.28Å; F753-K757 HydrophobicContact CE1-CD 4.46Å; F753-K757 WeakPolarHBondContact O-CB 3.35Å; F753-K757 PolarHBondContact O-N 3.03Å
754	S	80.9	Confident	75	Confident	15 Å²	15	72 Å²	72	11%	0.105	38%	0.377	C	S	.	.	H	α-helix	trans	-61.9	-45.8	177.4	-176.3	0	0	0	0	111.8	N701 T703 E750 L751 K757 A758	N701-S754 PolarHBondContact O-OG 3.21Å; T703-S754 PolarHBondContact OG1-OG 3.27Å; E750-S754 PolarHBondContact O-N 2.85Å; L751-S754 PolarHBondContact O-N 3.11Å; S754-K757 PolarHBondContact O-N 3.28Å; S754-A758 PolarHBondContact O-N 3.09Å
755	I	82.2	Confident	74.7	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-63.8	-45	178.1	-66.7	172.7	0	0	0	110.1	V680 F682 C690 L740 I743 L751 K757 A758 T759	V680-I755 HydrophobicContact CG1-CG2 4.36Å; V680-I755 HydrophobicContact CG2-CD1 3.94Å; F682-I755 HydrophobicContact CE2-CG2 3.5Å; F682-I755 VanDerWaalsContact CE2-CG2 3.5Å; F682-I755 HydrophobicContact CZ-CG2 3.87Å; C690-I755 HydrophobicContact CB-CD1 4.49Å; C690-I755 HydrophobicContact CB-CG1 4.5Å; L740-I755 HydrophobicContact CD2-CD1 3.57Å; I743-I755 HydrophobicContact CD1-CG2 4.14Å; I743-I755 HydrophobicContact CG1-CG2 4.31Å; L751-I755 HydrophobicContact CD1-CD1 3.81Å; L751-I755 HydrophobicContact CD1-CG1 4.23Å; L751-I755 HydrophobicContact CG-CD1 3.85Å; L751-I755 WeakPolarHBondContact O-CG1 3.35Å; L751-I755 PolarHBondContact O-N 3.24Å; I755-K757 VanDerWaalsContact C-N 3.3Å; I755-K757 PolarHBondContact O-N 3.1Å; I755-A758 WeakPolarHBondContact O-CB 3.31Å; I755-A758 PolarHBondContact O-N 3.21Å; I755-T759 HydrophobicContact CG2-CG2 4.04Å; I755-T759 WeakPolarHBondContact O-CG2 3.1Å; I755-T759 PolarHBondContact O-N 3.42Å; I755-T759 PolarHBondContact O-OG1 3.16Å
756	N	82	Confident	73.9	Confident	60 Å²	60	61.7 Å²	61.7	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-37.8	174.6	-91.4	-43.8	0	0	0	113.3	I743 A752 F753 T759 K760	I743-N756 WeakPolarHBondContact CD1-OD1 3.5Å; I743-N756 WeakPolarHBondContact CG2-ND2 3.36Å; A752-N756 VanDerWaalsContact O-CB 3.23Å; A752-N756 WeakPolarHBondContact O-CB 3.39Å; A752-N756 PolarHBondContact O-N 2.61Å; A752-N756 PolarHBondContact O-ND2 3.31Å; F753-N756 PolarHBondContact O-N 3.28Å; N756-T759 VanDerWaalsContact CA-OG1 3.3Å; N756-T759 WeakPolarHBondContact CA-OG1 3.39Å; N756-T759 PolarHBondContact O-OG1 3.29Å; N756-K760 WeakPolarHBondContact O-CB 3.39Å; N756-K760 VanDerWaalsContact O-CG 3.27Å; N756-K760 WeakPolarHBondContact O-CG 3.41Å; N756-K760 PolarHBondContact O-N 3.42Å
757	K	80.4	Confident	72.5	Confident	102 Å²	102	68.3 Å²	68.3	44%	0.443	37%	0.365	S	S	.	.	H	α-helix	trans	-69.8	-37.7	177.8	-169.4	175	-176.6	174.3	0	111.5	F753 S754 I755 Y761	F753-K757 HydrophobicContact CE1-CD 4.46Å; F753-K757 WeakPolarHBondContact O-CB 3.35Å; F753-K757 PolarHBondContact O-N 3.03Å; S754-K757 PolarHBondContact O-N 3.28Å; I755-K757 VanDerWaalsContact C-N 3.3Å; I755-K757 PolarHBondContact O-N 3.1Å; K757-Y761 PolarHBondContact O-N 3Å
758	A	77.6	Confident	71	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-68.5	-42.7	174.1	0	0	0	0	0	111.7	L616 T703 S754 I755 Y761 C762	L616-A758 HydrophobicContact CB-CB 3.65Å; L616-A758 HydrophobicContact CD1-CB 4.09Å; T703-A758 HydrophobicContact CG2-CB 3.53Å; S754-A758 PolarHBondContact O-N 3.09Å; I755-A758 WeakPolarHBondContact O-CB 3.31Å; I755-A758 PolarHBondContact O-N 3.21Å; A758-Y761 WeakPolarHBondContact O-CB 3.44Å; A758-Y761 PolarHBondContact O-N 3.49Å; A758-Y761 VanDerWaalsContact O-N 3.12Å; A758-C762 PolarHBondContact O-N 3.13Å
759	T	77.4	Confident	68.9	Low	21 Å²	21	72.7 Å²	72.7	13%	0.129	37%	0.372	C	S	.	.	H	α-helix	trans	-64	-43.6	178.5	63.3	0	0	0	0	112.1	F682 M685 I743 I755 N756 Y761 C762 S763	F682-T759 HydrophobicContact CD2-CG2 3.94Å; F682-T759 HydrophobicContact CE2-CG2 3.79Å; M685-T759 HydrophobicContact CE-CG2 3.19Å; I743-T759 HydrophobicContact CD1-CG2 4.28Å; I755-T759 HydrophobicContact CG2-CG2 4.04Å; I755-T759 WeakPolarHBondContact O-CG2 3.1Å; I755-T759 PolarHBondContact O-N 3.42Å; I755-T759 PolarHBondContact O-OG1 3.16Å; N756-T759 VanDerWaalsContact CA-OG1 3.3Å; N756-T759 WeakPolarHBondContact CA-OG1 3.39Å; N756-T759 PolarHBondContact O-OG1 3.29Å; T759-Y761 VanDerWaalsContact C-N 3.27Å; T759-Y761 PolarHBondContact O-N 3.31Å; T759-C762 PolarHBondContact O-N 3.38Å; T759-S763 PolarHBondContact O-N 3.33Å; T759-S763 PolarHBondContact O-OG 3.36Å
760	K	78	Confident	66.9	Low	141 Å²	141	73 Å²	73	61%	0.613	37%	0.37	S	S	*	.	H	α-helix	trans	-59.7	-37.1	172.3	-75.2	178.6	-178	-178	0	112.2	N756 S763 T764	N756-K760 WeakPolarHBondContact O-CB 3.39Å; N756-K760 VanDerWaalsContact O-CG 3.27Å; N756-K760 WeakPolarHBondContact O-CG 3.41Å; N756-K760 PolarHBondContact O-N 3.42Å; K760-S763 WeakPolarHBondContact CA-OG 3.39Å; K760-S763 PolarHBondContact O-OG 3.06Å; K760-T764 WeakPolarHBondContact O-CB 3.08Å; K760-T764 VanDerWaalsContact O-CG2 3.29Å; K760-T764 WeakPolarHBondContact O-CG2 3.35Å; K760-T764 PolarHBondContact O-N 2.86Å; K760-T764 PolarHBondContact O-OG1 2.69Å
761	Y	73.6	Confident	64.8	Low	48 Å²	48	74.2 Å²	74.2	19%	0.188	38%	0.376	C	S	.	.	H	α-helix	trans	-67.3	-44.9	178.1	179.2	-123.7	0	0	0	112.8	L616 K624 K757 A758 T759 S763 T764 N765	L616-Y761 HydrophobicContact CD2-CD1 3.85Å; L616-Y761 HydrophobicContact CD2-CE1 4.1Å; K624-Y761 HydrophobicContact CD-CD2 4.27Å; K624-Y761 HydrophobicContact CD-CE2 4.34Å; K624-Y761 HydrophobicContact CD-CG 4.31Å; K624-Y761 HydrophobicContact CG-CD1 4.14Å; K624-Y761 HydrophobicContact CG-CD2 4.5Å; K624-Y761 HydrophobicContact CG-CE1 3.95Å; K624-Y761 HydrophobicContact CG-CE2 4.26Å; K624-Y761 HydrophobicContact CG-CG 4.39Å; K757-Y761 PolarHBondContact O-N 3Å; A758-Y761 WeakPolarHBondContact O-CB 3.44Å; A758-Y761 PolarHBondContact O-N 3.49Å; A758-Y761 VanDerWaalsContact O-N 3.12Å; T759-Y761 VanDerWaalsContact C-N 3.27Å; T759-Y761 PolarHBondContact O-N 3.31Å; Y761-S763 VanDerWaalsContact C-N 3.32Å; Y761-S763 PolarHBondContact O-N 3.36Å; Y761-T764 WeakPolarHBondContact CA-OG1 3.18Å; Y761-T764 PolarHBondContact O-N 2.79Å; Y761-T764 PolarHBondContact O-OG1 2.62Å; Y761-N765 HydrophobicContact CE2-CB 4.44Å; Y761-N765 VanDerWaalsContact CE2-ND2 3.35Å; Y761-N765 WeakPolarHBondContact CE2-ND2 3.49Å; Y761-N765 WeakPolarHBondContact O-CB 3.39Å; Y761-N765 PolarHBondContact O-N 2.86Å; Y761-N765 PolarHBondContact OH-ND2 3.37Å
762	C	70.5	Confident	62.6	Low	21 Å²	21	79 Å²	79	14%	0.142	41%	0.405	C	S	.	.	H	α-helix	trans	-63.2	-38.1	176.9	-72.2	0	0	0	0	111.7	L616 M685 A758 T759 G766	L616-C762 WeakPolarHBondContact CD1-SG 3.28Å; M685-C762 HydrophobicContact CE-CB 4.41Å; M685-C762 HydrophobicContact SD-CB 3.15Å; M685-C762 WeakPolarHBondContact SD-CB 3.35Å; A758-C762 PolarHBondContact O-N 3.13Å; T759-C762 PolarHBondContact O-N 3.38Å; C762-G766 WeakPolarHBondContact O-CA 3.26Å; C762-G766 PolarHBondContact O-N 3.18Å
763	S	68.5	Low	60.3	Low	76 Å²	76	86.7 Å²	86.7	53%	0.531	44%	0.436	S	S	.	.	H	α-helix	trans	-70	-39.2	175.6	63.8	0	0	0	0	112.8	T759 K760 Y761	T759-S763 PolarHBondContact O-N 3.33Å; T759-S763 PolarHBondContact O-OG 3.36Å; K760-S763 WeakPolarHBondContact CA-OG 3.39Å; K760-S763 PolarHBondContact O-OG 3.06Å; Y761-S763 VanDerWaalsContact C-N 3.32Å; Y761-S763 PolarHBondContact O-N 3.36Å
764	T	62	Low	58.2	Low	95 Å²	95	84.9 Å²	84.9	58%	0.583	44%	0.441	S	S	*	.	H	α-helix	trans	-70.9	-34.3	178.3	53.9	0	0	0	0	113.5	K760 Y761	K760-T764 WeakPolarHBondContact O-CB 3.08Å; K760-T764 VanDerWaalsContact O-CG2 3.29Å; K760-T764 WeakPolarHBondContact O-CG2 3.35Å; K760-T764 PolarHBondContact O-N 2.86Å; K760-T764 PolarHBondContact O-OG1 2.69Å; Y761-T764 WeakPolarHBondContact CA-OG1 3.18Å; Y761-T764 PolarHBondContact O-N 2.79Å; Y761-T764 PolarHBondContact O-OG1 2.62Å
765	N	55.8	Low	55.9	Low	58 Å²	58	93 Å²	93	31%	0.31	48%	0.475	S	S	.	.	H	α-helix	trans	-95.1	-14.3	-179.2	-81.5	31	0	0	0	113.4	Y761 H767 R768 L769	Y761-N765 HydrophobicContact CE2-CB 4.44Å; Y761-N765 VanDerWaalsContact CE2-ND2 3.35Å; Y761-N765 WeakPolarHBondContact CE2-ND2 3.49Å; Y761-N765 WeakPolarHBondContact O-CB 3.39Å; Y761-N765 PolarHBondContact O-N 2.86Å; Y761-N765 PolarHBondContact OH-ND2 3.37Å; N765-H767 PolarHBondContact O-N 3.19Å; N765-R768 PolarHBondContact O-N 3.26Å; N765-L769 PolarHBondContact O-N 3.34Å
766	G	47.6	Very low	53.5	Low	35 Å²	35	100.6 Å²	100.6	36%	0.361	52%	0.515	S	S	.	.	H	α-helix	trans	-60.2	-27	178.6	0	0	0	0	0	114.1	C762 T770	C762-G766 WeakPolarHBondContact O-CA 3.26Å; C762-G766 PolarHBondContact O-N 3.18Å; G766-T770 PolarHBondContact O-OG1 3.35Å
767	H	39.8	Very low	51.3	Low	164 Å²	164	105.1 Å²	105.1	76%	0.759	54%	0.54	S	S	*	.	H	α-helix	trans	-82.1	-17	174.8	-89.3	-68.6	0	0	0	114.8	N765	N765-H767 PolarHBondContact O-N 3.19Å
768	R	37.3	Very low	49.1	Very low	209 Å²	209	110.1 Å²	110.1	79%	0.789	56%	0.561	S	S	*	*	H	α-helix	trans	-99.2	-19.7	179.9	-78.2	-174.4	175.1	179.2	-0.7	113.9	N765	N765-R768 PolarHBondContact O-N 3.26Å
769	L	34.2	Very low	47.1	Very low	102 Å²	102	115 Å²	115	53%	0.534	60%	0.595	S	S	.	*	H	α-helix	trans	-91.4	-21.9	179.8	-75.2	162.7	0	0	0	113.4	N765 F773	N765-L769 PolarHBondContact O-N 3.34Å; L769-F773 HydrophobicContact CD2-CE2 4.45Å; L769-F773 WeakPolarHBondContact O-CD2 3.48Å
770	T	35.3	Very low	45	Very low	101 Å²	101	122.1 Å²	122.1	62%	0.62	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-18.3	-179	35.5	0	0	0	0	114.6	G766	G766-T770 PolarHBondContact O-OG1 3.35Å
771	Q	34.4	Very low	43	Very low	154 Å²	154	125.9 Å²	125.9	72%	0.72	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-13.7	175.2	-74.5	-156.6	-23.7	0	0	114.9
772	V	34.6	Very low	41.2	Very low	105 Å²	105	131.9 Å²	131.9	64%	0.636	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-19	-176.1	-176.7	0	0	0	0	112.5
773	F	33.6	Very low	39.3	Very low	174 Å²	174	141.6 Å²	141.6	76%	0.763	71%	0.711	S	S	*	*	S	Bend	trans	-98.1	1.1	179.9	-68.4	-73.9	0	0	0	114.9	L769	L769-F773 HydrophobicContact CD2-CE2 4.45Å; L769-F773 WeakPolarHBondContact O-CD2 3.48Å
774	S	36.2	Very low	37.5	Very low	100 Å²	100	149 Å²	149	70%	0.699	73%	0.727	S	S	*	*	S	Bend	trans	-99.4	6.8	-177.9	-152.5	0	0	0	0	114.9
775	F	33.4	Very low	36.2	Very low	185 Å²	185	148.9 Å²	148.9	81%	0.811	74%	0.736	S	S	*	*	S	Bend	trans	-115.8	69.3	174.2	-73	-81.8	0	0	0	111.1
776	N	32.7	Very low	35.3	Very low	160 Å²	160	152.6 Å²	152.6	86%	0.856	76%	0.761	S	S	*	*	S	Bend	trans	-150.7	22.5	156.5	-143.8	12.3	0	0	0	114.8
777	N	33.9	Very low	34.4	Very low	156 Å²	156	155.8 Å²	155.8	83%	0.834	78%	0.777	S	S	*	*	S	Bend	trans	-136.9	72.9	179.8	-134.2	-1.9	0	0	0	109.3
778	K	35.6	Very low	33.9	Very low	207 Å²	207	156.4 Å²	156.4	90%	0.9	78%	0.781	S	S	*	*	S	Bend	trans	169.4	116.3	155.3	-92.7	157.8	-168.3	-173.3	0	111.2
779	S	35.4	Very low	33.6	Very low	102 Å²	102	155.9 Å²	155.9	71%	0.713	79%	0.789	S	S	*	*			trans	73.9	106.7	139.3	-161.1	0	0	0	0	120.3	R781	S779-R781 PolarHBondContact O-N 2.81Å
780	N	32.6	Very low	33.7	Very low	172 Å²	172	156 Å²	156	92%	0.92	81%	0.805	S	S	*	*			trans	-56.8	87.3	152.6	-80.5	-35.8	0	0	0	112
781	R	36.2	Very low	33.6	Very low	220 Å²	220	158.6 Å²	158.6	83%	0.83	81%	0.814	S	S	*	*			trans	-166.3	89.4	163.6	-103.9	175	-160.6	-165.3	4.8	110.2	S779	S779-R781 PolarHBondContact O-N 2.81Å
782	L	35	Very low	33.3	Very low	173 Å²	173	157.8 Å²	157.8	91%	0.906	82%	0.815	S	S	*	*			trans	169.3	89.9	145.4	-95.6	142.8	0	0	0	111.1
783	R	31.3	Very low	33.1	Very low	226 Å²	226	161.3 Å²	161.3	85%	0.853	83%	0.827	S	S	*	*			trans	-81.2	145.9	152.8	-111.9	-178.2	-175.5	-174.6	1.6	107.5
784	R	30.5	Very low	33.1	Very low	230 Å²	230	158 Å²	158	87%	0.868	83%	0.825	S	S	*	*			trans	80	104.5	165.5	-60.3	174.6	-177.9	138.2	-2.3	117.4
785	A	34.4	Very low	32.7	Very low	93 Å²	93	159.8 Å²	159.8	77%	0.769	83%	0.827	S	S	*	*				-178.9	144.1	128.2	0	0	0	0	0	109.8
786	V	36.8	Very low	32.6	Very low	137 Å²	137	158.3 Å²	158.3	83%	0.83	82%	0.822	S	S	*	*			trans	78	80	174.6	-155.1	0	0	0	0	114
787	S	29.4	Very low	32.7	Very low	102 Å²	102	157.4 Å²	157.4	71%	0.713	82%	0.817	S	S	*	*				55	110.8	51.7	-77.9	0	0	0	0	115.6
788	Q	30.1	Very low	32.5	Very low	177 Å²	177	159.1 Å²	159.1	83%	0.827	81%	0.812	S	S	*	*			trans	58	104.2	142.9	-64.1	-175.8	-24.1	0	0	118.5
789	M	30.4	Very low	32.3	Very low	197 Å²	197	158.6 Å²	158.6	97%	0.97	80%	0.804	S	S	*	*			trans	-171.2	141.9	137.3	-101.3	163.6	-157.8	0	0	109.8
790	A	36.5	Very low	32.1	Very low	106 Å²	106	160.9 Å²	160.9	88%	0.876	81%	0.805	S	S	*	*			trans	85.7	67.8	176.6	0	0	0	0	0	117.9
791	L	31.9	Very low	31.8	Very low	154 Å²	154	157.8 Å²	157.8	81%	0.806	80%	0.797	S	S	*	*			trans	-66.5	160.2	155.1	-78.3	157.9	0	0	0	113
792	N	28.8	Very low	31.6	Very low	138 Å²	138	158.2 Å²	158.2	74%	0.738	80%	0.798	S	S	*	*			trans	75.4	109.6	144.7	-66.5	-12.2	0	0	0	120.6
793	M	31.4	Very low	31.3	Very low	178 Å²	178	154.4 Å²	154.4	88%	0.877	79%	0.786	S	S	*	*			trans	163.6	119.5	132.8	-86.2	-92.1	110.2	0	0	105.4
794	S	31.9	Very low	31.3	Very low	104 Å²	104	150.4 Å²	150.4	73%	0.727	78%	0.782	S	S	*	*			cis	-168.6	143.9	13.5	26.9	0	0	0	0	108.3
795	N	28.8	Very low	31.1	Very low	139 Å²	139	146.3 Å²	146.3	74%	0.743	78%	0.776	S	S	*	*			trans	-50.9	151.8	173.7	-59.8	-48.9	0	0	0	113.9
796	H	32.1	Very low	31	Very low	153 Å²	153	153 Å²	153	71%	0.708	78%	0.782	S	S	*	*				172	140.6	95.6	-104.4	-66.7	0	0	0	114.5
797	L	32.9	Very low	30.7	Very low	141 Å²	141	154.5 Å²	154.5	74%	0.738	78%	0.784	S	S	*	*			trans	90.4	92.8	162.2	-58.1	166.9	0	0	0	116.2
798	R	31.4	Very low	30.9	Very low	193 Å²	193	155.7 Å²	155.7	73%	0.728	79%	0.79	S	S	*	*				66.8	133	76.5	-70.5	-173.7	-170.2	-167.4	1.8	110.8
799	R	31.1	Very low	30.9	Very low	196 Å²	196	155.3 Å²	155.3	74%	0.74	79%	0.792	S	S	*	*			cis	-172.9	135.5	17.9	-131.7	176.6	165.1	174.5	-2.5	108.3
800	M	29.7	Very low	30.9	Very low	150 Å²	150	157.3 Å²	157.3	74%	0.739	79%	0.789	S	S	*	*			trans	68.8	100.9	137.1	-66.8	178	89.8	0	0	122.8
801	S	26.4	Very low	30.9	Very low	106 Å²	106	155.7 Å²	155.7	74%	0.741	78%	0.782	S	S	*	*				6.5	131.7	122.3	-177	0	0	0	0	119
802	R	32	Very low	30.9	Very low	230 Å²	230	154.8 Å²	154.8	87%	0.868	78%	0.777	S	S	*	*				-171.1	133.8	116.9	-99.3	167.4	179.9	-168.8	-0.6	112.9
803	S	28.9	Very low	31.3	Very low	93 Å²	93	151.5 Å²	151.5	65%	0.65	77%	0.769	S	S	*	*			trans	-26.3	142.3	162.1	49.5	0	0	0	0	117.7
804	N	31.1	Very low	31.4	Very low	141 Å²	141	151.7 Å²	151.7	75%	0.754	77%	0.767	S	S	*	*				175.4	123.6	127.1	-87.6	-26.8	0	0	0	112.9
805	L	27.5	Very low	31.6	Very low	145 Å²	145	154.1 Å²	154.1	76%	0.759	77%	0.767	S	S	*	*				50.5	135.3	128.8	-74.6	149.7	0	0	0	122.4
806	R	32.3	Very low	31.9	Very low	234 Å²	234	153 Å²	153	88%	0.883	76%	0.761	S	S	*	*			trans	89.7	122.7	144.2	-75.7	172	171.4	172.9	-3.2	120.2
807	L	29.8	Very low	32.1	Very low	167 Å²	167	151.5 Å²	151.5	87%	0.874	76%	0.759	S	S	*	*			trans	-69.8	162.6	155.6	-76.3	151.6	0	0	0	111.1
808	P	33.8	Very low	32.3	Very low	128 Å²	128	150.3 Å²	150.3	83%	0.831	76%	0.757	S	S	*	*				-151.4	168.4	106.3	36	-16.7	0	0	0	117.2
809	L	29.8	Very low	32.6	Very low	169 Å²	169	146.9 Å²	146.9	89%	0.885	76%	0.758	S	S	*	*			trans	-82.3	147	168.1	-68.9	151.1	0	0	0	112.3
810	R	30.3	Very low	32.7	Very low	239 Å²	239	141.8 Å²	141.8	90%	0.902	75%	0.752	S	S	*	*			trans	160.5	147.5	132.4	-107.7	-178	164.5	177.9	-4.8	115.7
811	G	37.2	Very low	33.1	Very low	71 Å²	71	140.2 Å²	140.2	73%	0.732	75%	0.751	S	S	*	*			trans	141.4	99.4	159.7	0	0	0	0	0	109.6
812	I	32.2	Very low	33.6	Very low	135 Å²	135	143.3 Å²	143.3	69%	0.692	75%	0.754	S	S	*	*			cis	73.1	120.2	49.2	-57.5	-179.7	0	0	0	114.8
813	A	35.7	Very low	33.7	Very low	69 Å²	69	137.2 Å²	137.2	57%	0.57	75%	0.746	S	S	*	*			trans	78.5	116.1	151.3	0	0	0	0	0	118.7
814	E	34.1	Very low	34.3	Very low	182 Å²	182	139.1 Å²	139.1	85%	0.85	75%	0.754	S	S	*	*				97.1	135.3	94.3	-78.6	170	-173.4	0	0	108.2
815	E	35.4	Very low	34.6	Very low	155 Å²	155	139.3 Å²	139.3	72%	0.724	76%	0.755	S	S	*	*				177.2	155.9	58.2	-131.6	179.9	172.2	0	0	108.9
816	N	37	Very low	35.1	Very low	116 Å²	116	144 Å²	144	62%	0.62	76%	0.762	S	S	*	*			trans	70.2	146.7	149.3	-56.5	-19.8	0	0	0	119.7
817	D	36.3	Very low	35.5	Very low	121 Å²	121	137.4 Å²	137.4	65%	0.647	76%	0.758	S	S	*	*			cis	-171.4	135.9	-10.4	-109	-27	0	0	0	107.6
818	T	37.3	Very low	36	Very low	116 Å²	116	145 Å²	145	71%	0.712	78%	0.775	S	S	*	*			trans	50.4	145.7	136.2	69.5	0	0	0	0	125.6
819	V	37	Very low	36.2	Very low	121 Å²	121	145.8 Å²	145.8	73%	0.733	77%	0.772	S	S	*	*			trans	95.5	94.9	146.3	-162.7	0	0	0	0	119.9
820	S	32.8	Very low	36.5	Very low	89 Å²	89	144.6 Å²	144.6	62%	0.622	77%	0.766	S	S	*	*				12.3	138.9	129.7	49.8	0	0	0	0	121.6
821	T	37.6	Very low	36.8	Very low	118 Å²	118	139.3 Å²	139.3	72%	0.724	76%	0.759	S	S	*	*				170.3	135.6	110.6	32.3	0	0	0	0	113.8
822	Q	37	Very low	36.8	Very low	170 Å²	170	143.4 Å²	143.4	79%	0.794	76%	0.76	S	S	*	*			trans	54.1	110.5	136.4	-63.7	177	2	0	0	119.5
823	S	34.9	Very low	37.1	Very low	102 Å²	102	143.9 Å²	143.9	71%	0.713	77%	0.765	S	S	*	*				56.3	124.4	96.4	84.2	0	0	0	0	115.5
824	V	40.2	Very low	37.2	Very low	133 Å²	133	148.9 Å²	148.9	81%	0.806	78%	0.778	S	S	*	*				165.8	131.8	123.7	162.6	0	0	0	0	109.6
825	D	37.6	Very low	37.4	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	77%	0.772	S	S	*	*			trans	-44.8	149.9	168.9	-63.5	-66.9	0	0	0	115.4
826	R	38.7	Very low	37.6	Very low	242 Å²	242	145.8 Å²	145.8	91%	0.913	78%	0.776	S	S	*	*				-179.4	113.5	120.5	-100.8	168.7	178.2	177	0.7	113.1
827	A	40.1	Very low	37.6	Very low	96 Å²	96	148.3 Å²	148.3	79%	0.793	79%	0.789	S	S	*	*			trans	40.9	105.5	134.3	0	0	0	0	0	119.7
828	R	42	Very low	37.7	Very low	326 Å²	326	150.8 Å²	150.8	100%	1.23	80%	0.802	S	S	*	*				-155.7	0	120.1	-111.9	-177.9	-174.8	-173.1	2	110.8

Retrieved 828 of 828 residues in 1581.7 ms (Link to these results)

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