A0A077Z7U2_TRITR Loading...

Peripheral plasma membrane protein CASK

AlphaFold DB , UniProt , Accession A0A077Z7U2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 951 aa.

						>A0A077Z7U2_TRITR|A0A077Z7U2
MFTAPNHNYGHSSACSSMPSTSTALDPSVAAMLPYDLQEVLQRNATSVLFRAVTKGGFQPFAVQLIDLNRRSKRPGFSIEGHFIFPHSLLLLRLSRSHFRLLYDNNEFFLDLKREIQILRTIKHPYIIDLIDTYQYDKYFCVVFEYMEGRDLCLEVVERAAAGFVYSEFVISHYVRQLLNALSYCVDRDIIHRDIRLECAILANNENSAPLKLGGFHLAVQLPDSSARIQGTKVGTISQMAPEVVKGEPYNFAVDMWSVGILVFVLLSGTFPFSGQPEEIFSSIVNGQYKMQNKSWNQISDFAKDFVVKLLTVDSRRRMNVSQALKHPWIQDKENCAQKVHLVDTVCFMHRFNAHRNLKRRIISSVNSLKWSPDGIQGGQEVIEPQYLSHDQSASAIAVRKLFLSLDQIASICEGDRTVESCVTQNGNGTTENDLIDILELYDHANLVSLRLSGPPWDARQRLENAVEQLANADHIDHAIELQFILNSPDIKILFHTIDVIAAEIFAKLITADGPPQLNSIGQAAMNHGGSAVDDLTCSSSDLSLSPITRVRLIQFQRNTDEPMGITMKINEEGKCIIARIMHGGMVHRQGTLHVGDEVREINGISTTNESVEKLQRLLRDLRGSVYVRAQFDYDPSHDDLIPCPQAGIPFRTGDILHVISKDDYNWWQARHVASFPSFGPSSTPAQCNSGTTSLAGLIPSPELQEWRTACLAMEHAKSTFPCLSISKRKRHQFGKHFFKSRSIIDRLDLATYEEVVRLPTFRRKTLVLLGANGVGRRHIKNTLIQRHPERYAYPIPHTTRPPRRDEIDGQHYYFIDHEAMLSEVQKNEYLEYGTHEDYMYGTKLDTIRAIHRAGKIAILDVEPQALKILRTAEYSPFIIFIAAPDLYGLDDPDGSLERLVRESELLRQAYGHFFDYIIVNNDIDDTIKHIEMLMEKLHLSPQWIPVSWVY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	35.2	Very low	226 Å²	226	147.2 Å²	147.2	100%	1.113	78%	0.783	S	S	*	*				0	118.5	0	-95.2	-177.6	171.9	0	0	108
2	F	31.8	Very low	35	Very low	178 Å²	178	143.3 Å²	143.3	78%	0.781	78%	0.777	S	S	*	*			trans	52.6	99.1	146.7	-60.8	-75.7	0	0	0	118.3
3	T	31.6	Very low	34.6	Very low	127 Å²	127	141.4 Å²	141.4	78%	0.779	78%	0.78	S	S	*	*				64.1	119.4	95.5	55.3	0	0	0	0	115
4	A	36.8	Very low	34.3	Very low	91 Å²	91	138.9 Å²	138.9	75%	0.752	79%	0.788	S	S	*	*			trans	-53	178.7	162.1	0	0	0	0	0	112.3
5	P	45.8	Very low	33.8	Very low	105 Å²	105	139.1 Å²	139.1	68%	0.682	80%	0.799	S	S	*	*			cis	-157.6	-173.8	27.7	44	-19.9	0	0	0	119.8
6	N	33.7	Very low	33.6	Very low	131 Å²	131	137.9 Å²	137.9	70%	0.701	80%	0.802	S	S	*	*			trans	69.9	125.2	140	-71.3	-14.7	0	0	0	125.3
7	H	36.5	Very low	33.2	Very low	175 Å²	175	136.7 Å²	136.7	81%	0.81	80%	0.803	S	S	*	*				158.2	119.7	112.6	-86.5	-59.2	0	0	0	108.9
8	N	33.4	Very low	32.9	Very low	124 Å²	124	139.3 Å²	139.3	66%	0.663	81%	0.808	S	S	*	*			cis	97.6	137.4	31.6	-141.4	18.6	0	0	0	114.9
9	Y	34.5	Very low	32.5	Very low	210 Å²	210	138.1 Å²	138.1	82%	0.824	81%	0.805	S	S	*	*			trans	82.8	131.8	172.7	-56.4	-79.9	0	0	0	118.4
10	G	31.3	Very low	32.2	Very low	60 Å²	60	137.1 Å²	137.1	62%	0.619	81%	0.806	S	S	*	*			cis	152.6	139.2	0.6	0	0	0	0	0	110.3
11	H	35.1	Very low	31.9	Very low	192 Å²	192	136.5 Å²	136.5	89%	0.889	81%	0.805	S	S	*	*			trans	160.7	133.8	137.9	-93.5	-73.9	0	0	0	116.2
12	S	32.8	Very low	31.5	Very low	101 Å²	101	130.8 Å²	130.8	71%	0.706	79%	0.787	S	S	*	*			trans	57	106.9	152.1	63.2	0	0	0	0	120.2
13	S	29.1	Very low	31.4	Very low	118 Å²	118	127 Å²	127	83%	0.825	78%	0.779	S	S	*	*				83.6	98.7	66.2	74.8	0	0	0	0	115.7
14	A	30.9	Very low	31.3	Very low	107 Å²	107	124.3 Å²	124.3	88%	0.884	77%	0.769	S	S	*	*			trans	-162.8	96.5	145.4	0	0	0	0	0	109.1
15	C	26	Very low	31	Very low	142 Å²	142	126.2 Å²	126.2	96%	0.959	77%	0.766	S	S	*	*			trans	-85.8	125.5	169.3	-82.7	0	0	0	0	109.8
16	S	30.4	Very low	30.4	Very low	120 Å²	120	125.2 Å²	125.2	84%	0.839	76%	0.755	S	S	*	*			trans	-110.8	111.7	159.1	55.6	0	0	0	0	108.9
17	S	27.8	Very low	30.4	Very low	117 Å²	117	124.2 Å²	124.2	82%	0.818	76%	0.755	S	S	*	*			trans	-61.1	134.3	-179.1	49	0	0	0	0	114.6
18	M	26.9	Very low	30.2	Very low	184 Å²	184	120 Å²	120	91%	0.906	75%	0.745	S	S	*	*			trans	-120.1	135.1	151	-76.9	-148.4	166.2	0	0	109.3
19	P	26.2	Very low	30.1	Very low	116 Å²	116	117.9 Å²	117.9	75%	0.753	74%	0.737	S	S	*	*			trans	-79.7	126.8	-159.7	30.8	-33.1	0	0	0	112.6	T21	P19-T21 PolarHBondContact O-N 3.02Å
20	S	25.6	Very low	29.8	Very low	118 Å²	118	110.1 Å²	110.1	83%	0.825	72%	0.716	S	S	*	*			trans	-77.2	92.2	164.6	42.3	0	0	0	0	110.1	S22	S20-S22 VanDerWaalsContact C-N 3.26Å; S20-S22 PolarHBondContact O-N 3.09Å
21	T	27.2	Very low	29.5	Very low	125 Å²	125	111.5 Å²	111.5	77%	0.767	72%	0.722	S	S	*	*			trans	-82.4	75.4	170.2	48.9	0	0	0	0	110.5	P19 T23	P19-T21 PolarHBondContact O-N 3.02Å; T21-T23 PolarHBondContact O-N 2.87Å
22	S	28.1	Very low	29.1	Very low	105 Å²	105	111.3 Å²	111.3	73%	0.734	72%	0.724	S	S	*	*			trans	-74.6	95.2	158.6	165.2	0	0	0	0	108	S20 A24	S20-S22 VanDerWaalsContact C-N 3.26Å; S20-S22 PolarHBondContact O-N 3.09Å; S22-A24 VanDerWaalsContact C-N 3.3Å; S22-A24 PolarHBondContact O-N 3.02Å
23	T	30.8	Very low	29.2	Very low	100 Å²	100	110.5 Å²	110.5	61%	0.613	71%	0.711	S	S	*	*			trans	-76.8	82.7	171.7	30.7	0	0	0	0	110	T21 L25 K55	T21-T23 PolarHBondContact O-N 2.87Å; T23-L25 PolarHBondContact O-N 3.12Å; T23-K55 HydrophobicContact CG2-CB 4.22Å
24	A	29.5	Very low	29.5	Very low	69 Å²	69	108.4 Å²	108.4	57%	0.57	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-61.6	124.7	165.8	0	0	0	0	0	110	S22 K55	S22-A24 VanDerWaalsContact C-N 3.3Å; S22-A24 PolarHBondContact O-N 3.02Å; A24-K55 VanDerWaalsContact O-CD 3.27Å; A24-K55 WeakPolarHBondContact O-CD 3.45Å; A24-K55 VanDerWaalsContact O-CE 3.22Å; A24-K55 WeakPolarHBondContact O-CE 3.45Å; A24-K55 PolarHBondContact O-NZ 2.95Å
25	L	30.4	Very low	29.5	Very low	132 Å²	132	112.2 Å²	112.2	69%	0.691	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-67.8	146.1	175.1	-85.3	150.5	0	0	0	111.8	T23 K55	T23-L25 PolarHBondContact O-N 3.12Å; L25-K55 HydrophobicContact CD2-CG 4.2Å
26	D	32.1	Very low	30.4	Very low	84 Å²	84	108 Å²	108	45%	0.449	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-75.9	132.9	-176.7	-172.5	-42.7	0	0	0	111	S28	D26-S28 VanDerWaalsContact C-N 3.27Å; D26-S28 PolarHBondContact O-N 3.13Å; D26-S28 WeakPolarHBondContact OD1-CB 3.49Å; D26-S28 PolarHBondContact OD1-N 2.98Å; D26-S28 PolarHBondContact OD1-OG 2.85Å
27	P	33.4	Very low	31.1	Very low	109 Å²	109	103.2 Å²	103.2	71%	0.708	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-6.1	-176.5	24.4	-31.3	0	0	0	116.2	R93	P27-R93 PolarHBondContact O-NH2 3.34Å
28	S	31.8	Very low	31.6	Very low	87 Å²	87	103.1 Å²	103.1	61%	0.608	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-6.6	-173.3	56.8	0	0	0	0	117.4	D26 A30	D26-S28 VanDerWaalsContact C-N 3.27Å; D26-S28 PolarHBondContact O-N 3.13Å; D26-S28 WeakPolarHBondContact OD1-CB 3.49Å; D26-S28 PolarHBondContact OD1-N 2.98Å; D26-S28 PolarHBondContact OD1-OG 2.85Å; S28-A30 PolarHBondContact O-N 3.31Å
29	V	31.8	Very low	32.3	Very low	80 Å²	80	98.1 Å²	98.1	49%	0.485	58%	0.581	S	S	.	*			trans	-88.9	61.5	-172.1	-172.8	0	0	0	0	112.7	L91 R93	V29-L91 HydrophobicContact CG1-CD1 3.56Å; V29-L91 HydrophobicContact CG1-CD2 3.84Å; V29-L91 HydrophobicContact CG1-CG 4.33Å; V29-R93 WeakPolarHBondContact O-CD 3.46Å
30	A	28.1	Very low	33.1	Very low	47 Å²	47	93 Å²	93	39%	0.388	55%	0.547	S	S	.	.			trans	-100.9	-23.2	-140.4	0	0	0	0	0	121.8	S28 R93	S28-A30 PolarHBondContact O-N 3.31Å; A30-R93 VanDerWaalsContact C-NH1 3.34Å; A30-R93 PolarHBondContact O-NH1 3.04Å
31	A	26.8	Very low	34.1	Very low	89 Å²	89	89.5 Å²	89.5	74%	0.736	52%	0.519	S	S	*	.			trans	-143.5	102.4	-162.3	0	0	0	0	0	110.6
32	M	26.1	Very low	34.8	Very low	188 Å²	188	90.2 Å²	90.2	93%	0.926	51%	0.514	S	S	*	.			trans	171.4	100	154.8	-98.1	173.7	177.8	0	0	110.4
33	L	34.3	Very low	35.4	Very low	84 Å²	84	92.1 Å²	92.1	44%	0.44	51%	0.505	S	S	.	.			trans	-146.9	132	167.6	-74.6	171.4	0	0	0	105.6
34	P	35	Very low	35.9	Very low	73 Å²	73	89.2 Å²	89.2	47%	0.474	49%	0.486	S	S	.	.				-159.6	3.9	83	32.8	-7.4	0	0	0	119
35	Y	30.5	Very low	36.2	Very low	187 Å²	187	87.7 Å²	87.7	73%	0.733	47%	0.473	S	S	*	.	H	α-helix	trans	-73.6	-37	-162.1	-86.7	-86.9	0	0	0	116.2	Q38	Y35-Q38 WeakPolarHBondContact O-CB 3.49Å; Y35-Q38 PolarHBondContact O-N 3.38Å
36	D	45.9	Very low	36.7	Very low	54 Å²	54	84.7 Å²	84.7	29%	0.289	46%	0.46	S	S	.	.	H	α-helix	trans	-80.3	-29.1	-170.1	-59.9	-76.4	0	0	0	114.8	Q38 E39 V40 S88 L90	D36-Q38 PolarHBondContact O-N 3.44Å; D36-E39 PolarHBondContact O-N 3.02Å; D36-V40 WeakPolarHBondContact O-CG2 3.32Å; D36-V40 PolarHBondContact O-N 2.87Å; D36-S88 WeakPolarHBondContact CB-OG 3.39Å; D36-S88 WeakPolarHBondContact OD1-CB 3.46Å; D36-S88 PolarHBondContact OD1-OG 2.97Å; D36-S88 WeakPolarHBondContact OD2-CB 3.36Å; D36-S88 PolarHBondContact OD2-OG 2.92Å; D36-L90 HydrophobicContact CB-CD1 4.35Å
37	L	44.2	Very low	37.2	Very low	20 Å²	20	83.1 Å²	83.1	11%	0.105	46%	0.456	C	S	.	.	H	α-helix	trans	-66.1	-33.5	174.7	-129.8	138.6	0	0	0	109.8	E39 V40 L41 L90	L37-E39 PolarHBondContact O-N 3.45Å; L37-V40 PolarHBondContact O-N 3.16Å; L37-L41 HydrophobicContact CD2-CD1 3.89Å; L37-L41 HydrophobicContact CD2-CG 4.24Å; L37-L41 WeakPolarHBondContact O-CB 3.39Å; L37-L41 WeakPolarHBondContact O-CD1 3.39Å; L37-L41 WeakPolarHBondContact O-CG 3.24Å; L37-L41 PolarHBondContact O-N 2.85Å; L37-L90 HydrophobicContact CD1-CD1 4.34Å; L37-L90 HydrophobicContact CD1-CD2 4.01Å
38	Q	40	Very low	37.6	Very low	115 Å²	115	78.3 Å²	78.3	54%	0.537	43%	0.425	S	S	.	.	H	α-helix	trans	-64.7	-38.3	177	-132.4	173.5	1.3	0	0	112.3	Y35 D36 L41 Q42	Y35-Q38 WeakPolarHBondContact O-CB 3.49Å; Y35-Q38 PolarHBondContact O-N 3.38Å; D36-Q38 PolarHBondContact O-N 3.44Å; Q38-L41 PolarHBondContact O-N 2.78Å; Q38-Q42 VanDerWaalsContact O-CG 3.28Å; Q38-Q42 WeakPolarHBondContact O-CG 3.43Å; Q38-Q42 PolarHBondContact O-N 3.1Å
39	E	41.5	Very low	38	Very low	79 Å²	79	76.1 Å²	76.1	37%	0.369	41%	0.406	S	S	.	.	H	α-helix	trans	-69.6	-40.3	177.4	-160.7	-172	166.9	0	0	112.2	D36 L37 L41 Q42 R43	D36-E39 PolarHBondContact O-N 3.02Å; L37-E39 PolarHBondContact O-N 3.45Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 3.19Å; E39-Q42 PolarHBondContact O-N 2.79Å; E39-R43 WeakPolarHBondContact O-CG 3.35Å; E39-R43 PolarHBondContact O-N 3.25Å; E39-R43 IonicContact OE1-CZ 2.78Å; E39-R43 IonicContact OE1-NE 3.52Å; E39-R43 IonicContact OE1-NH2 2.65Å; E39-R43 PolarHBondContact OE1-NH2 3.19Å
40	V	43	Very low	38.5	Very low	7 Å²	7	73.6 Å²	73.6	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-61.4	-40.8	173.3	170	0	0	0	0	111.2	D36 L37 R43 V48 L65 F85	D36-V40 WeakPolarHBondContact O-CG2 3.32Å; D36-V40 PolarHBondContact O-N 2.87Å; L37-V40 PolarHBondContact O-N 3.16Å; V40-R43 PolarHBondContact O-N 3.41Å; V40-V48 HydrophobicContact CG1-CB 4.42Å; V40-V48 HydrophobicContact CG1-CG1 4.21Å; V40-V48 HydrophobicContact CG1-CG2 3.47Å; V40-V48 VanDerWaalsContact CG1-CG2 3.47Å; V40-L65 HydrophobicContact CG1-CD1 3.61Å; V40-F85 HydrophobicContact CG2-CD2 4.48Å; V40-F85 HydrophobicContact CG2-CE1 4.35Å; V40-F85 HydrophobicContact CG2-CE2 3.92Å; V40-F85 HydrophobicContact CG2-CZ 3.84Å
41	L	45.4	Very low	38.9	Very low	45 Å²	45	77 Å²	77	24%	0.236	39%	0.391	C	S	.	.	H	α-helix	trans	-71.3	-32.9	178.1	-68.2	170.5	0	0	0	112.9	L37 Q38 E39 R43 Y139	L37-L41 HydrophobicContact CD2-CD1 3.89Å; L37-L41 HydrophobicContact CD2-CG 4.24Å; L37-L41 WeakPolarHBondContact O-CB 3.39Å; L37-L41 WeakPolarHBondContact O-CD1 3.39Å; L37-L41 WeakPolarHBondContact O-CG 3.24Å; L37-L41 PolarHBondContact O-N 2.85Å; Q38-L41 PolarHBondContact O-N 2.78Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 3.19Å; L41-R43 PolarHBondContact O-N 2.84Å; L41-Y139 HydrophobicContact CD1-CD2 3.84Å; L41-Y139 HydrophobicContact CD1-CE1 4.16Å; L41-Y139 HydrophobicContact CD1-CE2 3.17Å; L41-Y139 HydrophobicContact CD2-CD1 3.63Å; L41-Y139 HydrophobicContact CD2-CD2 4.3Å; L41-Y139 HydrophobicContact CD2-CE1 3.09Å; L41-Y139 HydrophobicContact CD2-CE2 3.83Å; L41-Y139 HydrophobicContact CD2-CG 4.21Å; L41-Y139 HydrophobicContact CG-CE1 4.17Å; L41-Y139 HydrophobicContact CG-CE2 4.07Å
42	Q	41.9	Very low	39.4	Very low	141 Å²	141	74.2 Å²	74.2	66%	0.659	37%	0.368	S	S	*	.	H	α-helix	trans	-65.4	-23.2	172.6	-78.2	173.9	1.9	0	0	112.7	Q38 E39	Q38-Q42 VanDerWaalsContact O-CG 3.28Å; Q38-Q42 WeakPolarHBondContact O-CG 3.43Å; Q38-Q42 PolarHBondContact O-N 3.1Å; E39-Q42 PolarHBondContact O-N 2.79Å
43	R	40.4	Very low	39.8	Very low	144 Å²	144	69.5 Å²	69.5	54%	0.543	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	10.2	-178	-67	179.6	-173.6	-163	3.8	115.1	E39 V40 L41 A45	E39-R43 WeakPolarHBondContact O-CG 3.35Å; E39-R43 PolarHBondContact O-N 3.25Å; E39-R43 IonicContact OE1-CZ 2.78Å; E39-R43 IonicContact OE1-NE 3.52Å; E39-R43 IonicContact OE1-NH2 2.65Å; E39-R43 PolarHBondContact OE1-NH2 3.19Å; V40-R43 PolarHBondContact O-N 3.41Å; L41-R43 PolarHBondContact O-N 2.84Å; R43-A45 PolarHBondContact O-N 3.35Å; R43-A45 VanDerWaalsContact O-N 3.1Å
44	N	41.6	Very low	40	Very low	40 Å²	40	67.6 Å²	67.6	21%	0.214	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	20.6	179.4	-91.4	13.3	0	0	0	115.5	T46 R70 N367	N44-T46 PolarHBondContact O-N 3.45Å; N44-R70 PolarHBondContact ND2-NH1 2.76Å; N44-R70 VanDerWaalsContact OD1-CZ 3.25Å; N44-R70 PolarHBondContact OD1-NH1 3.3Å; N44-R70 PolarHBondContact OD1-NH2 3.27Å; N44-N367 PolarHBondContact ND2-O 2.93Å
45	A	36.9	Very low	40.1	Very low	36 Å²	36	69.6 Å²	69.6	30%	0.298	34%	0.343	S	S	.	.			trans	-68.4	122.8	-177.9	0	0	0	0	0	111.4	R43 V48	R43-A45 PolarHBondContact O-N 3.35Å; R43-A45 VanDerWaalsContact O-N 3.1Å; A45-V48 HydrophobicContact CB-CG2 3.8Å
46	T	39.5	Very low	40.5	Very low	70 Å²	70	64.2 Å²	64.2	43%	0.429	34%	0.344	S	S	.	.	S	Bend	trans	-92.9	-5.7	-179.6	54.5	0	0	0	0	112.9	N44 P75	N44-T46 PolarHBondContact O-N 3.45Å; T46-P75 HydrophobicContact CG2-CG 3.55Å
47	S	42.5	Very low	40.2	Very low	50 Å²	50	63.5 Å²	63.5	35%	0.35	35%	0.349	S	S	.	.	S	Bend	trans	-154.8	143.6	171.1	56.7	0	0	0	0	108.6
48	V	42.4	Very low	40.5	Very low	9 Å²	9	67.6 Å²	67.6	6%	0.055	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	129.6	-173.4	-177.1	0	0	0	0	109.2	V40 A45 F50 V63 L65	V40-V48 HydrophobicContact CG1-CB 4.42Å; V40-V48 HydrophobicContact CG1-CG1 4.21Å; V40-V48 HydrophobicContact CG1-CG2 3.47Å; V40-V48 VanDerWaalsContact CG1-CG2 3.47Å; A45-V48 HydrophobicContact CB-CG2 3.8Å; V48-F50 HydrophobicContact CB-CD2 4.03Å; V48-F50 HydrophobicContact CB-CE2 3.5Å; V48-F50 HydrophobicContact CB-CZ 4.05Å; V48-F50 HydrophobicContact CG1-CD2 3.86Å; V48-F50 HydrophobicContact CG1-CE1 4.2Å; V48-F50 HydrophobicContact CG1-CE2 3.51Å; V48-F50 HydrophobicContact CG1-CG 4.47Å; V48-F50 HydrophobicContact CG1-CZ 3.69Å; V48-F50 HydrophobicContact CG2-CE2 4.47Å; V48-F50 WeakPolarHBondContact O-CD2 3.38Å; V48-F50 PolarHBondContact O-N 3.16Å; V48-V63 CarbonylContact C-O 3.58Å; V48-V63 PolarHBondContact N-O 3.2Å; V48-V63 CarbonylContact O-C 3.46Å; V48-V63 PolarHBondContact O-N 2.9Å; V48-V63 VanDerWaalsContact O-N 3.14Å; V48-L65 HydrophobicContact CB-CD1 4.2Å; V48-L65 HydrophobicContact CB-CG 4.46Å; V48-L65 HydrophobicContact CG2-CD1 3.58Å; V48-L65 HydrophobicContact CG2-CG 4.13Å
49	L	40.6	Very low	41.2	Very low	40 Å²	40	67.2 Å²	67.2	21%	0.209	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	115.5	174.2	-171.1	73.3	0	0	0	109.3	F61 A62 I84 Y146	L49-F61 WeakPolarHBondContact CD1-O 3.44Å; L49-A62 HydrophobicContact CD1-CB 4.47Å; L49-I84 HydrophobicContact CD2-CG1 4.14Å; L49-Y146 HydrophobicContact CD1-CD2 3.31Å; L49-Y146 HydrophobicContact CD1-CE2 3.34Å; L49-Y146 HydrophobicContact CD1-CG 4.48Å; L49-Y146 HydrophobicContact CD2-CE2 3.86Å; L49-Y146 HydrophobicContact CG-CE2 4.25Å
50	F	42.6	Very low	42.1	Very low	27 Å²	27	65.6 Å²	65.6	12%	0.118	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.3	171.8	-62.9	-97.5	0	0	0	110.4	V48 F61 V63 L65 L90	V48-F50 HydrophobicContact CB-CD2 4.03Å; V48-F50 HydrophobicContact CB-CE2 3.5Å; V48-F50 HydrophobicContact CB-CZ 4.05Å; V48-F50 HydrophobicContact CG1-CD2 3.86Å; V48-F50 HydrophobicContact CG1-CE1 4.2Å; V48-F50 HydrophobicContact CG1-CE2 3.51Å; V48-F50 HydrophobicContact CG1-CG 4.47Å; V48-F50 HydrophobicContact CG1-CZ 3.69Å; V48-F50 HydrophobicContact CG2-CE2 4.47Å; V48-F50 WeakPolarHBondContact O-CD2 3.38Å; V48-F50 PolarHBondContact O-N 3.16Å; F50-F61 CarbonylContact O-C 3.56Å; F50-F61 PolarHBondContact O-N 3.06Å; F50-V63 HydrophobicContact CB-CG2 3.79Å; F50-V63 HydrophobicContact CD2-CB 3.35Å; F50-V63 HydrophobicContact CD2-CG1 4.06Å; F50-V63 HydrophobicContact CD2-CG2 3.33Å; F50-V63 HydrophobicContact CE2-CB 3.73Å; F50-V63 HydrophobicContact CE2-CG1 4.01Å; F50-V63 HydrophobicContact CE2-CG2 4.14Å; F50-V63 HydrophobicContact CG-CB 4.42Å; F50-V63 HydrophobicContact CG-CG2 3.96Å; F50-L65 HydrophobicContact CE2-CD1 4.21Å; F50-L65 HydrophobicContact CE2-CD2 4.14Å; F50-L65 HydrophobicContact CE2-CG 4.14Å; F50-L65 HydrophobicContact CZ-CD1 4.07Å; F50-L65 HydrophobicContact CZ-CD2 4.32Å; F50-L65 HydrophobicContact CZ-CG 4.43Å; F50-L90 HydrophobicContact CD1-CB 4.26Å; F50-L90 HydrophobicContact CD1-CD2 3.88Å; F50-L90 HydrophobicContact CD1-CG 4.46Å; F50-L90 HydrophobicContact CE1-CD1 4.21Å; F50-L90 HydrophobicContact CE1-CD2 3.71Å; F50-L90 HydrophobicContact CE1-CG 4.39Å; F50-L90 HydrophobicContact CZ-CD2 4.49Å
51	R	35	Very low	43.1	Very low	118 Å²	118	66.1 Å²	66.1	45%	0.445	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	118.7	162.4	-78.3	-177	-177.6	158.8	4.2	109	P60 S741 I744	R51-P60 HydrophobicContact CG-CB 4.27Å; R51-S741 PolarHBondContact NH2-OG 3.37Å; R51-I744 VanDerWaalsContact NH2-CD1 3.33Å
52	A	37.6	Very low	44.1	Very low	31 Å²	31	64.6 Å²	64.6	26%	0.256	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	144.1	170.4	0	0	0	0	0	110.7	F61	A52-F61 HydrophobicContact CB-CD2 3.71Å; A52-F61 HydrophobicContact CB-CE2 3.95Å
53	V	34.3	Very low	45.1	Very low	90 Å²	90	58.2 Å²	58.2	55%	0.545	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.6	176.6	-178.5	0	0	0	0	108.9	F58	V53-F58 HydrophobicContact CG2-CD1 4.15Å; V53-F58 HydrophobicContact CG2-CE1 4.24Å
54	T	39.1	Very low	46.3	Very low	44 Å²	44	52.3 Å²	52.3	27%	0.27	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	162.6	173.4	75.1	0	0	0	0	111.3	G56 G57 F61	T54-G56 PolarHBondContact O-N 2.83Å; T54-G56 PolarHBondContact OG1-N 3.49Å; T54-G57 PolarHBondContact N-O 3.12Å; T54-G57 PolarHBondContact O-N 3.2Å; T54-G57 VanDerWaalsContact O-N 3.17Å; T54-G57 PolarHBondContact OG1-O 2.71Å; T54-F61 HydrophobicContact CG2-CE2 3.81Å; T54-F61 HydrophobicContact CG2-CZ 3.77Å
55	K	36.5	Very low	47.3	Very low	115 Å²	115	50.8 Å²	50.8	50%	0.5	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-14.4	175.7	-85.8	-171.8	168.6	-177.4	0	114.4	T23 A24 L25	T23-K55 HydrophobicContact CG2-CB 4.22Å; A24-K55 VanDerWaalsContact O-CD 3.27Å; A24-K55 WeakPolarHBondContact O-CD 3.45Å; A24-K55 VanDerWaalsContact O-CE 3.22Å; A24-K55 WeakPolarHBondContact O-CE 3.45Å; A24-K55 PolarHBondContact O-NZ 2.95Å; L25-K55 HydrophobicContact CD2-CG 4.2Å
56	G	38.9	Very low	48.6	Very low	74 Å²	74	49.6 Å²	49.6	76%	0.763	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-0.3	-178.9	0	0	0	0	0	115.9	T54	T54-G56 PolarHBondContact O-N 2.83Å; T54-G56 PolarHBondContact OG1-N 3.49Å
57	G	41.1	Very low	49.7	Very low	38 Å²	38	47.9 Å²	47.9	39%	0.392	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	125.6	177.6	-173.2	0	0	0	0	0	112.6	T54 Q59	T54-G57 PolarHBondContact N-O 3.12Å; T54-G57 PolarHBondContact O-N 3.2Å; T54-G57 VanDerWaalsContact O-N 3.17Å; T54-G57 PolarHBondContact OG1-O 2.71Å; G57-Q59 PolarHBondContact O-N 3.22Å
58	F	50.3	Low	50.6	Low	106 Å²	106	48 Å²	48	47%	0.465	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.2	176.1	-48.8	-95.5	0	0	0	109.4	V53 M714 F738	V53-F58 HydrophobicContact CG2-CD1 4.15Å; V53-F58 HydrophobicContact CG2-CE1 4.24Å; F58-M714 HydrophobicContact CE1-CE 4.41Å; F58-M714 HydrophobicContact CE2-CE 3.89Å; F58-M714 HydrophobicContact CE2-SD 4.21Å; F58-M714 HydrophobicContact CZ-CE 3.64Å; F58-M714 HydrophobicContact CZ-SD 4.07Å; F58-F738 HydrophobicContact CB-CE1 3.7Å; F58-F738 HydrophobicContact CB-CZ 3.68Å; F58-F738 AromaticContact CD2-CE1 3.75Å; F58-F738 HydrophobicContact CD2-CE1 3.75Å; F58-F738 AromaticContact CD2-CZ 3.84Å; F58-F738 HydrophobicContact CD2-CZ 3.84Å; F58-F738 AromaticContact CG-CE1 3.99Å; F58-F738 HydrophobicContact CG-CE1 3.99Å; F58-F738 HydrophobicContact CG-CZ 4.18Å
59	Q	53	Low	51.3	Low	108 Å²	108	52.8 Å²	52.8	51%	0.505	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.3	170.4	-169.5	170.3	-3.5	0	0	107.5	G57 F61	G57-Q59 PolarHBondContact O-N 3.22Å; Q59-F61 HydrophobicContact CB-CE1 4.31Å; Q59-F61 HydrophobicContact CB-CE2 4.32Å; Q59-F61 HydrophobicContact CB-CZ 3.85Å; Q59-F61 HydrophobicContact CG-CE1 3.95Å; Q59-F61 HydrophobicContact CG-CZ 4Å; Q59-F61 WeakPolarHBondContact O-CD2 3.02Å; Q59-F61 WeakPolarHBondContact O-CE2 3.36Å
60	P	61.7	Low	51.8	Low	45 Å²	45	55.5 Å²	55.5	29%	0.292	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	146.5	177.1	29	-33.8	0	0	0	110.5	R51 Y146	R51-P60 HydrophobicContact CG-CB 4.27Å; P60-Y146 HydrophobicContact CB-CD1 3.67Å; P60-Y146 HydrophobicContact CB-CE1 4.32Å; P60-Y146 HydrophobicContact CB-CG 3.74Å; P60-Y146 HydrophobicContact CG-CD1 3.44Å; P60-Y146 VanDerWaalsContact CG-CD1 3.44Å; P60-Y146 HydrophobicContact CG-CE1 4.21Å; P60-Y146 HydrophobicContact CG-CG 3.92Å; P60-Y146 VanDerWaalsContact O-CB 3.22Å; P60-Y146 WeakPolarHBondContact O-CB 2.93Å
61	F	64.3	Low	51.7	Low	17 Å²	17	66.5 Å²	66.5	8%	0.075	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	156.3	174.5	-56.9	-63.7	0	0	0	109.9	L49 F50 A52 T54 Q59 I131 V143	L49-F61 WeakPolarHBondContact CD1-O 3.44Å; F50-F61 CarbonylContact O-C 3.56Å; F50-F61 PolarHBondContact O-N 3.06Å; A52-F61 HydrophobicContact CB-CD2 3.71Å; A52-F61 HydrophobicContact CB-CE2 3.95Å; T54-F61 HydrophobicContact CG2-CE2 3.81Å; T54-F61 HydrophobicContact CG2-CZ 3.77Å; Q59-F61 HydrophobicContact CB-CE1 4.31Å; Q59-F61 HydrophobicContact CB-CE2 4.32Å; Q59-F61 HydrophobicContact CB-CZ 3.85Å; Q59-F61 HydrophobicContact CG-CE1 3.95Å; Q59-F61 HydrophobicContact CG-CZ 4Å; Q59-F61 WeakPolarHBondContact O-CD2 3.02Å; Q59-F61 WeakPolarHBondContact O-CE2 3.36Å; F61-I131 HydrophobicContact CD1-CD1 3.18Å; F61-I131 HydrophobicContact CE1-CD1 3.34Å; F61-I131 HydrophobicContact CE1-CG2 4.37Å; F61-I131 HydrophobicContact CG-CD1 4.33Å; F61-V143 HydrophobicContact CB-CG1 3.8Å; F61-V143 HydrophobicContact CG-CG1 4.24Å
62	A	64.9	Low	51.9	Low	13 Å²	13	64.2 Å²	64.2	11%	0.107	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.1	170.9	0	0	0	0	0	109	L49 V143 F144	L49-A62 HydrophobicContact CD1-CB 4.47Å; A62-V143 CarbonylContact O-C 3.59Å; A62-V143 WeakPolarHBondContact O-CA 3.35Å; A62-F144 HydrophobicContact CB-CB 4.38Å; A62-F144 PolarHBondContact N-O 2.98Å; A62-F144 PolarHBondContact O-N 2.9Å
63	V	63.8	Low	51.9	Low	8 Å²	8	72.3 Å²	72.3	5%	0.048	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.5	177.4	-170.4	0	0	0	0	110.3	V48 F50 L65 C141 V142 V143	V48-V63 CarbonylContact C-O 3.58Å; V48-V63 PolarHBondContact N-O 3.2Å; V48-V63 CarbonylContact O-C 3.46Å; V48-V63 PolarHBondContact O-N 2.9Å; V48-V63 VanDerWaalsContact O-N 3.14Å; F50-V63 HydrophobicContact CB-CG2 3.79Å; F50-V63 HydrophobicContact CD2-CB 3.35Å; F50-V63 HydrophobicContact CD2-CG1 4.06Å; F50-V63 HydrophobicContact CD2-CG2 3.33Å; F50-V63 HydrophobicContact CE2-CB 3.73Å; F50-V63 HydrophobicContact CE2-CG1 4.01Å; F50-V63 HydrophobicContact CE2-CG2 4.14Å; F50-V63 HydrophobicContact CG-CB 4.42Å; F50-V63 HydrophobicContact CG-CG2 3.96Å; V63-L65 HydrophobicContact CG1-CD2 4.28Å; V63-C141 HydrophobicContact CG1-CB 3.84Å; V63-V142 CarbonylContact C-O 3.54Å; V63-V142 WeakPolarHBondContact CA-O 3.47Å; V63-V143 HydrophobicContact CG1-CG2 4.18Å; V63-V143 HydrophobicContact CG2-CG1 4.33Å; V63-V143 HydrophobicContact CG2-CG2 4.06Å
64	Q	66.6	Low	51.8	Low	20 Å²	20	70.2 Å²	70.2	9%	0.093	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118.7	168.4	-169	172.7	10.4	0	0	108.7	I66 C141 V142	Q64-I66 HydrophobicContact CG-CG1 4.17Å; Q64-C141 CarbonylContact O-C 3.54Å; Q64-C141 VanDerWaalsContact O-CA 3.32Å; Q64-C141 WeakPolarHBondContact O-CA 3.5Å; Q64-V142 HydrophobicContact CB-CB 4.28Å; Q64-V142 PolarHBondContact N-O 2.99Å; Q64-V142 PolarHBondContact O-N 2.84Å
65	L	62.4	Low	51.6	Low	8 Å²	8	71.3 Å²	71.3	4%	0.042	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.7	171.9	-65.3	-179.7	0	0	0	109.3	V40 V48 F50 V63 C141	V40-L65 HydrophobicContact CG1-CD1 3.61Å; V48-L65 HydrophobicContact CB-CD1 4.2Å; V48-L65 HydrophobicContact CB-CG 4.46Å; V48-L65 HydrophobicContact CG2-CD1 3.58Å; V48-L65 HydrophobicContact CG2-CG 4.13Å; F50-L65 HydrophobicContact CE2-CD1 4.21Å; F50-L65 HydrophobicContact CE2-CD2 4.14Å; F50-L65 HydrophobicContact CE2-CG 4.14Å; F50-L65 HydrophobicContact CZ-CD1 4.07Å; F50-L65 HydrophobicContact CZ-CD2 4.32Å; F50-L65 HydrophobicContact CZ-CG 4.43Å; V63-L65 HydrophobicContact CG1-CD2 4.28Å; L65-C141 HydrophobicContact CD2-CB 4.27Å; L65-C141 WeakPolarHBondContact CD2-SG 3.48Å
66	I	62.9	Low	51.4	Low	11 Å²	11	67 Å²	67	6%	0.056	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.9	-179.2	-55.7	175.4	0	0	0	107.8	Q64 L68 F108 L112 Y139 F140 V142	Q64-I66 HydrophobicContact CG-CG1 4.17Å; I66-L68 PolarHBondContact O-N 3.12Å; I66-F108 HydrophobicContact CG2-CE1 3.63Å; I66-F108 HydrophobicContact CG2-CZ 3.54Å; I66-L112 HydrophobicContact CD1-CD1 3.51Å; I66-L112 HydrophobicContact CD1-CD2 3.96Å; I66-L112 HydrophobicContact CD1-CG 4.39Å; I66-Y139 CarbonylContact O-C 3.51Å; I66-Y139 WeakPolarHBondContact O-CA 3.4Å; I66-F140 HydrophobicContact CB-CB 4.19Å; I66-F140 WeakPolarHBondContact CB-O 2.98Å; I66-F140 PolarHBondContact N-O 2.81Å; I66-F140 PolarHBondContact O-N 3.14Å; I66-V142 HydrophobicContact CD1-CG2 3.96Å
67	D	63.5	Low	51	Low	34 Å²	34	64.3 Å²	64.3	18%	0.182	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	111.8	171.6	-167.4	-26.8	0	0	0	109.3	N69 R70 Y139	D67-N69 PolarHBondContact O-N 3.41Å; D67-N69 WeakPolarHBondContact OD1-CB 3.48Å; D67-N69 PolarHBondContact OD1-N 3.49Å; D67-R70 HydrophobicContact CB-CB 4.27Å; D67-R70 HydrophobicContact CB-CG 4.14Å; D67-R70 PolarHBondContact O-N 2.64Å; D67-Y139 HydrophobicContact CB-CD1 3.97Å; D67-Y139 HydrophobicContact CB-CE1 3.58Å; D67-Y139 VanDerWaalsContact CG-CE1 3.4Å; D67-Y139 WeakPolarHBondContact OD2-CE1 3.44Å; D67-Y139 PolarHBondContact OD2-OH 2.96Å
68	L	61.9	Low	50.5	Low	51 Å²	51	64 Å²	64	27%	0.267	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.5	-178.8	-62.1	172	0	0	0	112.6	I66 F108 F109 K138 F140	I66-L68 PolarHBondContact O-N 3.12Å; L68-F108 HydrophobicContact CD2-CE1 4.48Å; L68-F109 HydrophobicContact CD2-CD2 4.34Å; L68-K138 WeakPolarHBondContact CB-O 3.49Å; L68-K138 VanDerWaalsContact CG-O 3.28Å; L68-K138 WeakPolarHBondContact CG-O 3.27Å; L68-K138 PolarHBondContact N-O 2.73Å; L68-F140 HydrophobicContact CD2-CB 4.19Å; L68-F140 HydrophobicContact CG-CB 4.41Å
69	N	56.2	Low	49.6	Very low	111 Å²	111	61.2 Å²	61.2	59%	0.594	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-14.6	179.9	-68.5	-9.8	0	0	0	113.3	D67 R71 K138	D67-N69 PolarHBondContact O-N 3.41Å; D67-N69 WeakPolarHBondContact OD1-CB 3.48Å; D67-N69 PolarHBondContact OD1-N 3.49Å; N69-R71 PolarHBondContact O-N 3.01Å; N69-K138 VanDerWaalsContact ND2-CD 3.25Å; N69-K138 WeakPolarHBondContact ND2-CD 3.15Å
70	R	51.1	Low	48.5	Very low	97 Å²	97	58 Å²	58	37%	0.366	29%	0.289	S	S	.	.			trans	-81.6	108.2	174.6	-76.1	-170.7	172.6	-169.5	-3.2	110	N44 D67 S72	N44-R70 PolarHBondContact ND2-NH1 2.76Å; N44-R70 VanDerWaalsContact OD1-CZ 3.25Å; N44-R70 PolarHBondContact OD1-NH1 3.3Å; N44-R70 PolarHBondContact OD1-NH2 3.27Å; D67-R70 HydrophobicContact CB-CB 4.27Å; D67-R70 HydrophobicContact CB-CG 4.14Å; D67-R70 PolarHBondContact O-N 2.64Å; R70-S72 PolarHBondContact O-N 3.27Å; R70-S72 VanDerWaalsContact O-N 3.08Å
71	R	40.8	Very low	46.8	Very low	258 Å²	258	57.5 Å²	57.5	97%	0.974	29%	0.291	S	S	*	.			trans	-68.6	3.3	176.9	-67.6	-177.2	175.4	179	-1.5	114.4	N69	N69-R71 PolarHBondContact O-N 3.01Å
72	S	38.1	Very low	45	Very low	70 Å²	70	64.9 Å²	64.9	49%	0.49	33%	0.325	S	S	.	.	S	Bend	trans	-85.3	135.2	-176.8	54.7	0	0	0	0	111.8	R70 R74	R70-S72 PolarHBondContact O-N 3.27Å; R70-S72 VanDerWaalsContact O-N 3.08Å; S72-R74 PolarHBondContact O-N 2.61Å
73	K	37.7	Very low	43.2	Very low	201 Å²	201	70.3 Å²	70.3	87%	0.874	35%	0.347	S	S	*	.			trans	-44.1	133.3	174.9	-72.6	177.9	175.5	178.4	0	110.3
74	R	33.9	Very low	41.3	Very low	45 Å²	45	71.9 Å²	71.9	17%	0.17	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-49.9	128	-178.9	-66	-160.8	-166.3	174.1	20.7	110	S72 G76 F108 L112 E115	S72-R74 PolarHBondContact O-N 2.61Å; R74-G76 PolarHBondContact O-N 2.77Å; R74-F108 HydrophobicContact CG-CD2 4.43Å; R74-F108 HydrophobicContact CG-CE2 3.39Å; R74-F108 HydrophobicContact CG-CZ 3.88Å; R74-L112 VanDerWaalsContact NH2-CB 3.26Å; R74-E115 IonicContact CZ-OE2 2.75Å; R74-E115 VanDerWaalsContact CZ-OE2 3.3Å; R74-E115 IonicContact NH1-OE1 2.86Å; R74-E115 IonicContact NH1-OE2 3.34Å; R74-E115 PolarHBondContact NH1-OE2 3.19Å; R74-E115 IonicContact NH2-OE2 2.9Å; R74-E115 PolarHBondContact NH2-OE2 2.74Å; R74-E115 VanDerWaalsContact NH2-OE2 3.08Å
75	P	33.3	Very low	39.4	Very low	67 Å²	67	73.5 Å²	73.5	44%	0.435	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-61.3	127.7	159.6	24.1	-26.1	0	0	0	106.9	T46	T46-P75 HydrophobicContact CG2-CG 3.55Å
76	G	32.8	Very low	37.6	Very low	26 Å²	26	77 Å²	77	27%	0.268	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-52.9	152.6	-176	0	0	0	0	0	112.1	R74 S78	R74-G76 PolarHBondContact O-N 2.77Å; G76-S78 PolarHBondContact O-N 3.11Å
77	F	31.6	Very low	35.9	Very low	17 Å²	17	84.2 Å²	84.2	8%	0.075	42%	0.417	C	S	.	.			trans	-49.2	107.6	175.7	-146.6	-103.9	0	0	0	109.4	I79 I128 F144 R196	F77-I79 HydrophobicContact CD1-CD1 4.06Å; F77-I79 HydrophobicContact CD1-CG1 4.11Å; F77-I79 HydrophobicContact CE1-CD1 3.39Å; F77-I79 HydrophobicContact CE1-CG1 3.81Å; F77-I79 HydrophobicContact CZ-CD1 4.2Å; F77-I128 HydrophobicContact CE1-CD1 4.42Å; F77-F144 HydrophobicContact CE2-CD2 4.25Å; F77-F144 HydrophobicContact CE2-CE1 4.46Å; F77-F144 AromaticContact CE2-CE2 3.61Å; F77-F144 HydrophobicContact CE2-CE2 3.61Å; F77-F144 AromaticContact CE2-CZ 3.73Å; F77-F144 HydrophobicContact CE2-CZ 3.73Å; F77-F144 HydrophobicContact CZ-CD1 4.4Å; F77-F144 AromaticContact CZ-CD2 4Å; F77-F144 HydrophobicContact CZ-CD2 4Å; F77-F144 HydrophobicContact CZ-CE1 4.18Å; F77-F144 AromaticContact CZ-CE2 3.76Å; F77-F144 HydrophobicContact CZ-CE2 3.76Å; F77-F144 HydrophobicContact CZ-CG 4.3Å; F77-F144 AromaticContact CZ-CZ 3.87Å; F77-F144 HydrophobicContact CZ-CZ 3.87Å; F77-R196 VanDerWaalsContact N-NH2 3.14Å; F77-R196 PolarHBondContact O-NH2 3.3Å
78	S	30.7	Very low	34.1	Very low	31 Å²	31	85 Å²	85	22%	0.217	43%	0.426	C	S	.	.			trans	-128.2	102.5	172.2	178.2	0	0	0	0	105.9	G76 E80	G76-S78 PolarHBondContact O-N 3.11Å; S78-E80 PolarHBondContact O-N 3.19Å; S78-E80 PolarHBondContact OG-N 3.04Å
79	I	31.1	Very low	32.4	Very low	47 Å²	47	89.6 Å²	89.6	24%	0.241	45%	0.45	C	S	.	.			trans	-73.6	4.1	170.6	-67	172.9	0	0	0	110.4	F77 G81 I128 M147 I201	F77-I79 HydrophobicContact CD1-CD1 4.06Å; F77-I79 HydrophobicContact CD1-CG1 4.11Å; F77-I79 HydrophobicContact CE1-CD1 3.39Å; F77-I79 HydrophobicContact CE1-CG1 3.81Å; F77-I79 HydrophobicContact CZ-CD1 4.2Å; I79-G81 PolarHBondContact O-N 3.43Å; I79-G81 VanDerWaalsContact O-N 3.11Å; I79-I128 HydrophobicContact CD1-CD1 3.78Å; I79-M147 HydrophobicContact CD1-CG 4.33Å; I79-M147 HydrophobicContact CG2-CB 4.47Å; I79-I201 HydrophobicContact CB-CD1 3.92Å; I79-I201 HydrophobicContact CD1-CD1 3.42Å; I79-I201 VanDerWaalsContact CD1-CD1 3.42Å; I79-I201 HydrophobicContact CG1-CD1 3.93Å
80	E	28.4	Very low	31.1	Very low	42 Å²	42	85.7 Å²	85.7	20%	0.196	43%	0.429	C	S	.	.			trans	-87.4	82.2	173.6	-58.7	-157.6	106.9	0	0	111.5	S78 R150 L154 R356 R360	S78-E80 PolarHBondContact O-N 3.19Å; S78-E80 PolarHBondContact OG-N 3.04Å; E80-R150 IonicContact OE1-CZ 2.9Å; E80-R150 VanDerWaalsContact OE1-CZ 3.23Å; E80-R150 IonicContact OE1-NE 3.04Å; E80-R150 PolarHBondContact OE1-NE 3.03Å; E80-R150 IonicContact OE1-NH2 3.62Å; E80-R150 PolarHBondContact OE1-NH2 3.31Å; E80-L154 WeakPolarHBondContact OE1-CD1 3.47Å; E80-L154 WeakPolarHBondContact OE2-CD1 3.1Å; E80-R356 IonicContact OE2-NH2 3.46Å; E80-R356 PolarHBondContact OE2-NH2 3.32Å; E80-R360 IonicContact OE2-CZ 2.71Å; E80-R360 IonicContact OE2-NH1 3.87Å; E80-R360 PolarHBondContact OE2-NH1 3.04Å; E80-R360 IonicContact OE2-NH2 3.41Å; E80-R360 PolarHBondContact OE2-NH2 2.85Å
81	G	27.9	Very low	30.1	Very low	33 Å²	33	84.7 Å²	84.7	34%	0.34	43%	0.43	S	S	.	.			trans	-145	101.1	162.7	0	0	0	0	0	107.8	I79 F83	I79-G81 PolarHBondContact O-N 3.43Å; I79-G81 VanDerWaalsContact O-N 3.11Å; G81-F83 PolarHBondContact O-N 3.13Å
82	H	24.9	Very low	29.8	Very low	172 Å²	172	75 Å²	75	80%	0.796	40%	0.397	S	S	*	.			trans	-66.5	78.3	161.2	-79.5	40.3	0	0	0	108
83	F	27.2	Very low	29.4	Very low	128 Å²	128	77.5 Å²	77.5	56%	0.561	40%	0.396	S	S	*	.			trans	-124.6	83.3	166.8	-74.8	-76.2	0	0	0	108	G81	G81-F83 PolarHBondContact O-N 3.13Å
84	I	25.3	Very low	29.2	Very low	40 Å²	40	70.6 Å²	70.6	21%	0.205	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-78.2	136.6	154.8	-63.9	167.3	0	0	0	104.2	L49 S743 R747	L49-I84 HydrophobicContact CD2-CG1 4.14Å; I84-S743 VanDerWaalsContact CD1-CB 3.4Å; I84-S743 WeakPolarHBondContact CD1-OG 3.41Å; I84-R747 PolarHBondContact O-NH1 2.7Å; I84-R747 PolarHBondContact O-NH2 3.05Å
85	F	25	Very low	29	Very low	55 Å²	55	72.1 Å²	72.1	24%	0.241	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-96.8	144	162.8	-86.6	-96.2	0	0	0	108.6	V40	V40-F85 HydrophobicContact CG2-CD2 4.48Å; V40-F85 HydrophobicContact CG2-CE1 4.35Å; V40-F85 HydrophobicContact CG2-CE2 3.92Å; V40-F85 HydrophobicContact CG2-CZ 3.84Å
86	P	26.2	Very low	28.9	Very low	80 Å²	80	80.5 Å²	80.5	52%	0.519	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-69.5	138.9	164.3	31.2	-28.4	0	0	0	108.8
87	H	25.5	Very low	29	Very low	163 Å²	163	83.3 Å²	83.3	76%	0.755	43%	0.425	S	S	*	.	S	Bend	trans	30	91.9	152.8	-93.6	-108.6	0	0	0	118.5
88	S	26.3	Very low	28.9	Very low	51 Å²	51	90.1 Å²	90.1	36%	0.357	46%	0.456	S	S	.	.			trans	-156.5	132	137.9	40.6	0	0	0	0	109.8	D36 L90	D36-S88 WeakPolarHBondContact CB-OG 3.39Å; D36-S88 WeakPolarHBondContact OD1-CB 3.46Å; D36-S88 PolarHBondContact OD1-OG 2.97Å; D36-S88 WeakPolarHBondContact OD2-CB 3.36Å; D36-S88 PolarHBondContact OD2-OG 2.92Å; S88-L90 PolarHBondContact O-N 3.39Å
89	L	26.5	Very low	28.9	Very low	147 Å²	147	96.7 Å²	96.7	77%	0.77	48%	0.481	S	S	*	.			trans	-60.9	106.2	-178.4	-85.5	112.2	0	0	0	110.3	L91	L89-L91 HydrophobicContact CD2-CD1 4.43Å
90	L	29.9	Very low	28.8	Very low	29 Å²	29	105 Å²	105	15%	0.152	51%	0.51	C	S	.	.			trans	-98.4	88.7	165.7	-133.4	105.7	0	0	0	110.5	D36 L37 F50 S88 L92	D36-L90 HydrophobicContact CB-CD1 4.35Å; L37-L90 HydrophobicContact CD1-CD1 4.34Å; L37-L90 HydrophobicContact CD1-CD2 4.01Å; F50-L90 HydrophobicContact CD1-CB 4.26Å; F50-L90 HydrophobicContact CD1-CD2 3.88Å; F50-L90 HydrophobicContact CD1-CG 4.46Å; F50-L90 HydrophobicContact CE1-CD1 4.21Å; F50-L90 HydrophobicContact CE1-CD2 3.71Å; F50-L90 HydrophobicContact CE1-CG 4.39Å; F50-L90 HydrophobicContact CZ-CD2 4.49Å; S88-L90 PolarHBondContact O-N 3.39Å; L90-L92 HydrophobicContact CD2-CG 4.2Å; L90-L92 PolarHBondContact O-N 3.44Å
91	L	29.8	Very low	28.7	Very low	76 Å²	76	109.2 Å²	109.2	40%	0.398	53%	0.533	S	S	.	.			trans	-78	99.6	161.3	-83.6	153.5	0	0	0	108	V29 L89 R93	V29-L91 HydrophobicContact CG1-CD1 3.56Å; V29-L91 HydrophobicContact CG1-CD2 3.84Å; V29-L91 HydrophobicContact CG1-CG 4.33Å; L89-L91 HydrophobicContact CD2-CD1 4.43Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-R93 PolarHBondContact O-N 3.47Å
92	L	33.3	Very low	28.9	Very low	55 Å²	55	114.5 Å²	114.5	29%	0.288	55%	0.553	S	S	.	*			trans	-66.8	95.8	168.5	-92.1	159.2	0	0	0	109	L90 L94 Y134	L90-L92 HydrophobicContact CD2-CG 4.2Å; L90-L92 PolarHBondContact O-N 3.44Å; L92-L94 HydrophobicContact CD2-CD1 3.91Å; L92-Y134 HydrophobicContact CD1-CD2 3.85Å; L92-Y134 HydrophobicContact CD1-CE2 3.96Å; L92-Y134 HydrophobicContact CD2-CD2 4.24Å; L92-Y134 HydrophobicContact CD2-CG 4.16Å
93	R	29.9	Very low	29.1	Very low	122 Å²	122	116.6 Å²	116.6	46%	0.46	56%	0.555	S	S	.	*			trans	-104.2	86.4	173.8	-158.8	-179.7	-170.8	-131.6	4.1	108.8	P27 V29 A30 L91	P27-R93 PolarHBondContact O-NH2 3.34Å; V29-R93 WeakPolarHBondContact O-CD 3.46Å; A30-R93 VanDerWaalsContact C-NH1 3.34Å; A30-R93 PolarHBondContact O-NH1 3.04Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-R93 PolarHBondContact O-N 3.47Å
94	L	34	Very low	29.6	Very low	57 Å²	57	116.5 Å²	116.5	30%	0.298	56%	0.56	S	S	.	*			trans	-127.6	111.2	174.6	-68.8	165.9	0	0	0	109.5	L92 Y134 Y136	L92-L94 HydrophobicContact CD2-CD1 3.91Å; L94-Y134 HydrophobicContact CB-CD1 4.1Å; L94-Y134 HydrophobicContact CD1-CD1 4.46Å; L94-Y134 HydrophobicContact CD1-CG 4.46Å; L94-Y136 HydrophobicContact CD1-CD2 4.39Å; L94-Y136 HydrophobicContact CD2-CD2 4.02Å
95	S	30.4	Very low	30.2	Very low	77 Å²	77	122.1 Å²	122.1	54%	0.538	59%	0.591	S	S	.	*			trans	-60.6	140.5	-177	89.3	0	0	0	0	110.5	S97	S95-S97 WeakPolarHBondContact CB-OG 3.38Å; S95-S97 PolarHBondContact O-N 3.22Å; S95-S97 WeakPolarHBondContact OG-CB 3.31Å; S95-S97 PolarHBondContact OG-OG 3.39Å
96	R	31.2	Very low	31.6	Very low	242 Å²	242	124.2 Å²	124.2	91%	0.913	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	11.8	177.3	-75.9	178.2	153.7	162.7	-5.4	114.9
97	S	33.4	Very low	33.2	Very low	85 Å²	85	127.7 Å²	127.7	59%	0.594	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-4.1	-159.2	-28	0	0	0	0	115.3	S95	S95-S97 WeakPolarHBondContact CB-OG 3.38Å; S95-S97 PolarHBondContact O-N 3.22Å; S95-S97 WeakPolarHBondContact OG-CB 3.31Å; S95-S97 PolarHBondContact OG-OG 3.39Å
98	H	31.1	Very low	34.8	Very low	160 Å²	160	122.7 Å²	122.7	74%	0.741	59%	0.59	S	S	*	*			trans	-122.2	65.2	-174.1	-63.7	117	0	0	0	112.6	R100	H98-R100 VanDerWaalsContact C-N 3.31Å
99	F	29.3	Very low	36.6	Very low	169 Å²	169	123.7 Å²	123.7	74%	0.741	59%	0.588	S	S	*	*			trans	-98.5	26.8	163.3	-129.1	-84.8	0	0	0	111.6
100	R	28.4	Very low	38.7	Very low	223 Å²	223	121.8 Å²	121.8	84%	0.842	58%	0.578	S	S	*	*			trans	-115.3	109.2	-171.9	-131.7	176.1	-167.4	169.7	3.6	110.6	H98	H98-R100 VanDerWaalsContact C-N 3.31Å
101	L	27.3	Very low	40.6	Very low	129 Å²	129	122.5 Å²	122.5	68%	0.675	58%	0.582	S	S	*	*			trans	72.3	81.5	157.7	-58.4	163.5	0	0	0	117.2	Y103	L101-Y103 HydrophobicContact CD2-CD2 4.21Å; L101-Y103 HydrophobicContact CD2-CE2 4Å
102	L	32.5	Very low	42.6	Very low	145 Å²	145	118.9 Å²	118.9	76%	0.759	56%	0.563	S	S	*	*			trans	-128.1	99.4	145.1	-73.9	172.3	0	0	0	107.6
103	Y	28.3	Very low	44.9	Very low	216 Å²	216	121.8 Å²	121.8	85%	0.847	57%	0.573	S	S	*	*			trans	-82	108.6	168	-91	-96	0	0	0	107.2	L101	L101-Y103 HydrophobicContact CD2-CD2 4.21Å; L101-Y103 HydrophobicContact CD2-CE2 4Å
104	D	37.8	Very low	47.5	Very low	125 Å²	125	119 Å²	119	67%	0.668	56%	0.563	S	S	*	*			trans	-150.5	133.5	155.8	-146.6	-7.3	0	0	0	110.7	N106	D104-N106 PolarHBondContact O-N 3.47Å
105	N	39.1	Very low	49.9	Very low	159 Å²	159	116.3 Å²	116.3	85%	0.85	55%	0.549	S	S	*	.			trans	-78.3	40.9	-163.8	-77.9	-40.4	0	0	0	114.4
106	N	54.3	Low	52.5	Low	99 Å²	99	113.3 Å²	113.3	53%	0.529	53%	0.526	S	S	.	.			trans	-89.1	122.4	-176.5	-77.5	-41.4	0	0	0	112.7	D104 F108 F109 L110	D104-N106 PolarHBondContact O-N 3.47Å; N106-F108 PolarHBondContact O-N 3.28Å; N106-F109 PolarHBondContact O-N 3Å; N106-L110 PolarHBondContact O-N 2.88Å
107	E	59.5	Low	55.3	Low	153 Å²	153	107.2 Å²	107.2	72%	0.715	51%	0.509	S	S	*	.	H	α-helix	trans	-51.7	-39.8	178.7	-169	178.3	-172.3	0	0	112.6	F109 L110 D111	E107-F109 VanDerWaalsContact C-N 3.33Å; E107-F109 PolarHBondContact O-N 2.9Å; E107-L110 WeakPolarHBondContact O-CB 3.08Å; E107-L110 PolarHBondContact O-N 2.87Å; E107-D111 PolarHBondContact O-N 2.93Å
108	F	58.7	Low	58.1	Low	57 Å²	57	103.3 Å²	103.3	25%	0.25	48%	0.481	C	S	.	.	H	α-helix	trans	-57	-41	176.3	-178.7	-93	0	0	0	113.9	I66 L68 R74 N106 D111 L112	I66-F108 HydrophobicContact CG2-CE1 3.63Å; I66-F108 HydrophobicContact CG2-CZ 3.54Å; L68-F108 HydrophobicContact CD2-CE1 4.48Å; R74-F108 HydrophobicContact CG-CD2 4.43Å; R74-F108 HydrophobicContact CG-CE2 3.39Å; R74-F108 HydrophobicContact CG-CZ 3.88Å; N106-F108 PolarHBondContact O-N 3.28Å; F108-D111 PolarHBondContact O-N 3.1Å; F108-L112 PolarHBondContact O-N 2.86Å; F108-L112 VanDerWaalsContact O-N 3.08Å
109	F	65	Low	60.8	Low	72 Å²	72	95.9 Å²	95.9	32%	0.316	45%	0.447	S	S	.	.	H	α-helix	trans	-73.6	-34.2	-179.2	-171.9	-99.7	0	0	0	111.2	L68 N106 E107 D111 L112 K113	L68-F109 HydrophobicContact CD2-CD2 4.34Å; N106-F109 PolarHBondContact O-N 3Å; E107-F109 VanDerWaalsContact C-N 3.33Å; E107-F109 PolarHBondContact O-N 2.9Å; F109-D111 VanDerWaalsContact C-N 3.33Å; F109-L112 PolarHBondContact O-N 3.35Å; F109-K113 WeakPolarHBondContact O-CB 3.41Å; F109-K113 PolarHBondContact O-N 2.98Å
110	L	68.7	Low	63.8	Low	107 Å²	107	94.3 Å²	94.3	56%	0.56	44%	0.436	S	S	*	.	H	α-helix	trans	-62.1	-42.2	172.6	-65.5	172.9	0	0	0	111	N106 E107 K113 R114	N106-L110 PolarHBondContact O-N 2.88Å; E107-L110 WeakPolarHBondContact O-CB 3.08Å; E107-L110 PolarHBondContact O-N 2.87Å; L110-K113 PolarHBondContact O-N 3.43Å; L110-R114 WeakPolarHBondContact O-CB 3.48Å; L110-R114 PolarHBondContact O-N 3.17Å
111	D	70.1	Confident	66.7	Low	44 Å²	44	86.9 Å²	86.9	24%	0.235	42%	0.415	C	S	.	.	H	α-helix	trans	-63	-45.2	175.7	-72.5	-20.8	0	0	0	112.4	E107 F108 F109 R114 E115	E107-D111 PolarHBondContact O-N 2.93Å; F108-D111 PolarHBondContact O-N 3.1Å; F109-D111 VanDerWaalsContact C-N 3.33Å; D111-R114 PolarHBondContact O-N 3.31Å; D111-R114 IonicContact OD1-CZ 3.87Å; D111-R114 IonicContact OD1-NH1 3.01Å; D111-R114 PolarHBondContact OD1-NH1 3.16Å; D111-R114 IonicContact OD1-NH2 3.35Å; D111-R114 PolarHBondContact OD1-NH2 2.96Å; D111-E115 PolarHBondContact O-N 3.48Å
112	L	73.1	Confident	69.8	Low	1 Å²	1	80.9 Å²	80.9	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-62.8	-45.5	176.8	-178.8	58.5	0	0	0	112.5	I66 R74 F108 F109 R114 E115 I116 F140 V142	I66-L112 HydrophobicContact CD1-CD1 3.51Å; I66-L112 HydrophobicContact CD1-CD2 3.96Å; I66-L112 HydrophobicContact CD1-CG 4.39Å; R74-L112 VanDerWaalsContact NH2-CB 3.26Å; F108-L112 PolarHBondContact O-N 2.86Å; F108-L112 VanDerWaalsContact O-N 3.08Å; F109-L112 PolarHBondContact O-N 3.35Å; L112-R114 VanDerWaalsContact C-N 3.29Å; L112-R114 PolarHBondContact O-N 3.36Å; L112-E115 PolarHBondContact O-N 3.15Å; L112-I116 HydrophobicContact CD1-CD1 3.85Å; L112-I116 HydrophobicContact CD1-CG1 4.28Å; L112-I116 HydrophobicContact CG-CD1 3.87Å; L112-I116 WeakPolarHBondContact O-CD1 3.46Å; L112-I116 VanDerWaalsContact O-CG1 3.29Å; L112-I116 WeakPolarHBondContact O-CG1 3.35Å; L112-I116 PolarHBondContact O-N 3.33Å; L112-F140 HydrophobicContact CD1-CD1 4.46Å; L112-F140 HydrophobicContact CD2-CB 4.06Å; L112-F140 HydrophobicContact CD2-CD1 3.73Å; L112-F140 HydrophobicContact CD2-CD2 4.24Å; L112-F140 HydrophobicContact CD2-CE1 4.25Å; L112-F140 HydrophobicContact CD2-CG 3.73Å; L112-F140 HydrophobicContact CG-CD1 4.39Å; L112-V142 HydrophobicContact CD1-CG2 4.12Å
113	K	79.9	Confident	72.6	Confident	115 Å²	115	79.2 Å²	79.2	50%	0.5	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-40.8	177.2	-172.5	179.3	178.6	-177.1	0	111.4	F109 L110 Q117	F109-K113 WeakPolarHBondContact O-CB 3.41Å; F109-K113 PolarHBondContact O-N 2.98Å; L110-K113 PolarHBondContact O-N 3.43Å; K113-Q117 WeakPolarHBondContact O-CB 3.37Å; K113-Q117 PolarHBondContact O-N 3.39Å
114	R	85.2	Confident	75.8	Confident	64 Å²	64	71 Å²	71	24%	0.242	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-49	176.8	-177.4	-179.8	66.5	-115.3	-7.4	111.7	L110 D111 L112 I116 Q117 I118 A219	L110-R114 WeakPolarHBondContact O-CB 3.48Å; L110-R114 PolarHBondContact O-N 3.17Å; D111-R114 PolarHBondContact O-N 3.31Å; D111-R114 IonicContact OD1-CZ 3.87Å; D111-R114 IonicContact OD1-NH1 3.01Å; D111-R114 PolarHBondContact OD1-NH1 3.16Å; D111-R114 IonicContact OD1-NH2 3.35Å; D111-R114 PolarHBondContact OD1-NH2 2.96Å; L112-R114 VanDerWaalsContact C-N 3.29Å; L112-R114 PolarHBondContact O-N 3.36Å; R114-I116 PolarHBondContact O-N 3.31Å; R114-Q117 PolarHBondContact O-N 3.28Å; R114-I118 HydrophobicContact CG-CD1 3.98Å; R114-I118 WeakPolarHBondContact O-CG1 3.42Å; R114-I118 PolarHBondContact O-N 3.45Å; R114-A219 PolarHBondContact NE-O 3.15Å
115	E	84.8	Confident	78.6	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-56.2	-48.8	177	172.4	-179.6	-152.5	0	0	111.6	R74 D111 L112 Q117 I118 L119 F216 H217	R74-E115 IonicContact CZ-OE2 2.75Å; R74-E115 VanDerWaalsContact CZ-OE2 3.3Å; R74-E115 IonicContact NH1-OE1 2.86Å; R74-E115 IonicContact NH1-OE2 3.34Å; R74-E115 PolarHBondContact NH1-OE2 3.19Å; R74-E115 IonicContact NH2-OE2 2.9Å; R74-E115 PolarHBondContact NH2-OE2 2.74Å; R74-E115 VanDerWaalsContact NH2-OE2 3.08Å; D111-E115 PolarHBondContact O-N 3.48Å; L112-E115 PolarHBondContact O-N 3.15Å; E115-Q117 VanDerWaalsContact C-N 3.32Å; E115-Q117 PolarHBondContact O-N 3.18Å; E115-I118 PolarHBondContact O-N 3.19Å; E115-L119 HydrophobicContact CG-CD1 3.73Å; E115-L119 HydrophobicContact CG-CG 4.4Å; E115-L119 WeakPolarHBondContact O-CB 3.37Å; E115-L119 WeakPolarHBondContact O-CG 3.43Å; E115-L119 PolarHBondContact O-N 3.31Å; E115-F216 HydrophobicContact CG-CB 4.47Å; E115-H217 VanDerWaalsContact OE1-CA 3.29Å; E115-H217 WeakPolarHBondContact OE1-CA 3.5Å; E115-H217 PolarHBondContact OE1-N 2.71Å; E115-H217 VanDerWaalsContact OE1-N 3.12Å
116	I	85.2	Confident	81.3	Confident	13 Å²	13	64.3 Å²	64.3	7%	0.067	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-40.9	178.9	-67.3	163.2	0	0	0	111.1	L112 R114 L119 R120 L130 T133 F140	L112-I116 HydrophobicContact CD1-CD1 3.85Å; L112-I116 HydrophobicContact CD1-CG1 4.28Å; L112-I116 HydrophobicContact CG-CD1 3.87Å; L112-I116 WeakPolarHBondContact O-CD1 3.46Å; L112-I116 VanDerWaalsContact O-CG1 3.29Å; L112-I116 WeakPolarHBondContact O-CG1 3.35Å; L112-I116 PolarHBondContact O-N 3.33Å; R114-I116 PolarHBondContact O-N 3.31Å; I116-L119 PolarHBondContact O-N 2.67Å; I116-R120 HydrophobicContact CG2-CG 4.47Å; I116-R120 WeakPolarHBondContact O-CB 3.47Å; I116-R120 VanDerWaalsContact O-CG 3.25Å; I116-R120 WeakPolarHBondContact O-CG 3.21Å; I116-R120 PolarHBondContact O-N 3.01Å; I116-L130 HydrophobicContact CG2-CD2 4.3Å; I116-T133 HydrophobicContact CD1-CG2 4.03Å; I116-T133 HydrophobicContact CG1-CG2 4.02Å; I116-T133 HydrophobicContact CG2-CG2 3.86Å; I116-F140 HydrophobicContact CD1-CD1 4.29Å; I116-F140 HydrophobicContact CD1-CE1 3.26Å; I116-F140 HydrophobicContact CD1-CZ 3.5Å
117	Q	90.1	Very high	83.3	Confident	115 Å²	115	59.8 Å²	59.8	54%	0.537	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-42.8	177.4	-178	174.3	-16.7	0	0	111.6	K113 R114 E115	K113-Q117 WeakPolarHBondContact O-CB 3.37Å; K113-Q117 PolarHBondContact O-N 3.39Å; R114-Q117 PolarHBondContact O-N 3.28Å; E115-Q117 VanDerWaalsContact C-N 3.32Å; E115-Q117 PolarHBondContact O-N 3.18Å
118	I	91.2	Very high	84.8	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-50.1	176.1	-72.2	172.1	0	0	0	110.7	R114 E115 R120 T121 I122 I190 F216 A219	R114-I118 HydrophobicContact CG-CD1 3.98Å; R114-I118 WeakPolarHBondContact O-CG1 3.42Å; R114-I118 PolarHBondContact O-N 3.45Å; E115-I118 PolarHBondContact O-N 3.19Å; I118-R120 PolarHBondContact O-N 2.53Å; I118-T121 PolarHBondContact O-N 2.84Å; I118-T121 PolarHBondContact O-OG1 2.91Å; I118-I122 HydrophobicContact CG2-CD1 3.62Å; I118-I122 HydrophobicContact CG2-CG1 4.48Å; I118-I122 WeakPolarHBondContact O-CG1 3.33Å; I118-I122 PolarHBondContact O-N 2.88Å; I118-I190 HydrophobicContact CG2-CD1 4.19Å; I118-I190 HydrophobicContact CG2-CG2 3.93Å; I118-F216 HydrophobicContact CG2-CD1 4.1Å; I118-A219 VanDerWaalsContact CD1-C 3.44Å; I118-A219 HydrophobicContact CD1-CB 3.84Å; I118-A219 VanDerWaalsContact CD1-O 3.32Å; I118-A219 WeakPolarHBondContact CD1-O 3Å; I118-A219 HydrophobicContact CG2-CB 4.26Å
119	L	89.1	Confident	86.3	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-29.1	-179.1	-74.4	170	0	0	0	112.9	E115 I116 T121 I122 L130 F144 F216	E115-L119 HydrophobicContact CG-CD1 3.73Å; E115-L119 HydrophobicContact CG-CG 4.4Å; E115-L119 WeakPolarHBondContact O-CB 3.37Å; E115-L119 WeakPolarHBondContact O-CG 3.43Å; E115-L119 PolarHBondContact O-N 3.31Å; I116-L119 PolarHBondContact O-N 2.67Å; L119-T121 VanDerWaalsContact C-N 3.31Å; L119-T121 PolarHBondContact O-N 3.5Å; L119-I122 PolarHBondContact O-N 3.02Å; L119-L130 HydrophobicContact CB-CB 3.84Å; L119-L130 HydrophobicContact CB-CD2 3.69Å; L119-L130 HydrophobicContact CB-CG 4.33Å; L119-F144 HydrophobicContact CD1-CE1 3.63Å; L119-F144 HydrophobicContact CD1-CZ 3.81Å; L119-F144 HydrophobicContact CD2-CE1 4.41Å; L119-F216 HydrophobicContact CD2-CB 3.93Å; L119-F216 HydrophobicContact CD2-CD2 3.85Å; L119-F216 HydrophobicContact CD2-CG 3.91Å; L119-F216 HydrophobicContact CG-CB 4.16Å
120	R	90.6	Very high	87.3	Confident	136 Å²	136	49.2 Å²	49.2	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-69.3	-24.2	173.8	-77.7	177	178	178.5	1.9	113.8	I116 I118 L130 T133	I116-R120 HydrophobicContact CG2-CG 4.47Å; I116-R120 WeakPolarHBondContact O-CB 3.47Å; I116-R120 VanDerWaalsContact O-CG 3.25Å; I116-R120 WeakPolarHBondContact O-CG 3.21Å; I116-R120 PolarHBondContact O-N 3.01Å; I118-R120 PolarHBondContact O-N 2.53Å; R120-L130 HydrophobicContact CG-CD2 3.91Å; R120-T133 PolarHBondContact NH2-OG1 3Å
121	T	91	Very high	88	Confident	66 Å²	66	47.6 Å²	47.6	41%	0.405	23%	0.226	S	C	.	.	H	α-helix	trans	-93.8	-9.7	179.4	64.2	0	0	0	0	113	I118 L119	I118-T121 PolarHBondContact O-N 2.84Å; I118-T121 PolarHBondContact O-OG1 2.91Å; L119-T121 VanDerWaalsContact C-N 3.31Å; L119-T121 PolarHBondContact O-N 3.5Å
122	I	90.8	Very high	88.5	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	23%	0.227	C	C	.	.			trans	-102	123.8	-180	-62.4	172	0	0	0	110.1	I118 L119 I127 Y184 I190 F216	I118-I122 HydrophobicContact CG2-CD1 3.62Å; I118-I122 HydrophobicContact CG2-CG1 4.48Å; I118-I122 WeakPolarHBondContact O-CG1 3.33Å; I118-I122 PolarHBondContact O-N 2.88Å; L119-I122 PolarHBondContact O-N 3.02Å; I122-I127 HydrophobicContact CG2-CB 4.09Å; I122-I127 HydrophobicContact CG2-CD1 3.45Å; I122-I127 VanDerWaalsContact CG2-CD1 3.45Å; I122-I127 HydrophobicContact CG2-CG1 4.34Å; I122-I127 HydrophobicContact CG2-CG2 3.76Å; I122-Y184 HydrophobicContact CB-CE1 4.18Å; I122-Y184 HydrophobicContact CG1-CE1 4.3Å; I122-Y184 HydrophobicContact CG2-CD1 4.19Å; I122-Y184 HydrophobicContact CG2-CE1 3.72Å; I122-I190 HydrophobicContact CD1-CD1 3.77Å; I122-I190 HydrophobicContact CD1-CG2 4.4Å; I122-I190 HydrophobicContact CG1-CD1 3.71Å; I122-F216 HydrophobicContact CD1-CD1 4.02Å; I122-F216 HydrophobicContact CD1-CE1 3.57Å; I122-F216 HydrophobicContact CD1-CZ 4.14Å
123	K	92.6	Very high	88.5	Confident	110 Å²	110	48.6 Å²	48.6	48%	0.478	23%	0.232	S	C	.	.			trans	-139.7	105.4	168.2	-67.4	-65.2	-174.8	-179.1	0	107.7	D129 L130 Y184	K123-D129 WeakPolarHBondContact CD-OD1 3.42Å; K123-D129 VanDerWaalsContact CE-OD1 3.29Å; K123-D129 WeakPolarHBondContact CE-OD1 3.47Å; K123-D129 IonicContact NZ-OD1 3.79Å; K123-D129 PolarHBondContact NZ-OD1 3.12Å; K123-D129 IonicContact NZ-OD2 3.89Å; K123-D129 PolarHBondContact NZ-OD2 3.23Å; K123-L130 PolarHBondContact NZ-O 3.13Å; K123-Y184 PolarHBondContact N-OH 2.85Å; K123-Y184 PolarHBondContact O-OH 2.89Å
124	H	95.6	Very high	88	Confident	42 Å²	42	45.5 Å²	45.5	19%	0.194	22%	0.218	C	C	.	.			trans	-146.5	141.8	-175.5	-173.4	-102.5	0	0	0	110.9	Y126 I127 Y184	H124-Y126 AromaticContact CE1-CD2 3.63Å; H124-Y126 PolarHBondContact ND1-N 3.26Å; H124-Y126 PolarHBondContact O-N 3.1Å; H124-I127 HydrophobicContact CB-CB 4.21Å; H124-I127 HydrophobicContact CB-CD1 3.93Å; H124-I127 HydrophobicContact CB-CG1 4.07Å; H124-I127 PolarHBondContact O-N 3.14Å; H124-I127 VanDerWaalsContact O-O 3.13Å; H124-Y184 HydrophobicContact CB-CD1 4.08Å; H124-Y184 HydrophobicContact CB-CD2 4.19Å; H124-Y184 HydrophobicContact CB-CE1 4.3Å; H124-Y184 HydrophobicContact CB-CE2 4.33Å; H124-Y184 HydrophobicContact CB-CG 4.05Å; H124-Y184 AromaticContact CD2-CD2 3.52Å; H124-Y184 AromaticContact CD2-CG 3.73Å; H124-Y184 AromaticContact CG-CG 3.98Å
125	P	95.5	Very high	87.1	Confident	89 Å²	89	46 Å²	46	58%	0.578	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.4	-177.1	-27.4	35.6	0	0	0	115.4	K212	P125-K212 VanDerWaalsContact O-CE 3.26Å; P125-K212 WeakPolarHBondContact O-CE 3.25Å
126	Y	97.2	Very high	86	Confident	55 Å²	55	50.2 Å²	50.2	22%	0.216	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	20.6	-179.6	-52.9	-47.1	0	0	0	113.2	H124 Q177 N180 A181 P210 L211 K212 L213	H124-Y126 AromaticContact CE1-CD2 3.63Å; H124-Y126 PolarHBondContact ND1-N 3.26Å; H124-Y126 PolarHBondContact O-N 3.1Å; Y126-Q177 HydrophobicContact CD1-CB 3.96Å; Y126-Q177 HydrophobicContact CD1-CG 4.2Å; Y126-Q177 HydrophobicContact CD2-CB 3.98Å; Y126-Q177 HydrophobicContact CD2-CG 4.45Å; Y126-Q177 WeakPolarHBondContact CD2-O 3.36Å; Y126-Q177 HydrophobicContact CE1-CB 4.07Å; Y126-Q177 HydrophobicContact CE1-CG 3.78Å; Y126-Q177 HydrophobicContact CE2-CB 4.11Å; Y126-Q177 HydrophobicContact CE2-CG 4.08Å; Y126-Q177 HydrophobicContact CG-CB 3.93Å; Y126-N180 HydrophobicContact CD2-CB 3.9Å; Y126-N180 HydrophobicContact CE2-CB 4.18Å; Y126-A181 WeakPolarHBondContact O-CB 3.36Å; Y126-P210 HydrophobicContact CD1-CB 4.09Å; Y126-P210 HydrophobicContact CE1-CB 3.88Å; Y126-L211 WeakPolarHBondContact CD1-O 3.3Å; Y126-K212 CarbonylContact O-C 3.57Å; Y126-K212 WeakPolarHBondContact O-CA 3.27Å; Y126-L213 PolarHBondContact O-N 3.23Å
127	I	95.5	Very high	85.2	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-126	136.5	171.5	-62.4	174.5	0	0	0	107.9	I122 H124 D129 A181 Y184 L213 F216	I122-I127 HydrophobicContact CG2-CB 4.09Å; I122-I127 HydrophobicContact CG2-CD1 3.45Å; I122-I127 VanDerWaalsContact CG2-CD1 3.45Å; I122-I127 HydrophobicContact CG2-CG1 4.34Å; I122-I127 HydrophobicContact CG2-CG2 3.76Å; H124-I127 HydrophobicContact CB-CB 4.21Å; H124-I127 HydrophobicContact CB-CD1 3.93Å; H124-I127 HydrophobicContact CB-CG1 4.07Å; H124-I127 PolarHBondContact O-N 3.14Å; H124-I127 VanDerWaalsContact O-O 3.13Å; I127-D129 PolarHBondContact O-N 3.07Å; I127-A181 HydrophobicContact CD1-CB 4.16Å; I127-A181 HydrophobicContact CG1-CB 3.71Å; I127-Y184 HydrophobicContact CD1-CD1 4.11Å; I127-L213 WeakPolarHBondContact CA-O 3.45Å; I127-F216 HydrophobicContact CD1-CZ 4.25Å; I127-F216 HydrophobicContact CG2-CE2 3.65Å; I127-F216 HydrophobicContact CG2-CZ 3.89Å
128	I	91.7	Very high	84.1	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.015	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-64.7	125	179.2	-61.6	-178.2	0	0	0	109.2	F77 I79 F144 E145 M147 I201 K212 L213	F77-I128 HydrophobicContact CE1-CD1 4.42Å; I79-I128 HydrophobicContact CD1-CD1 3.78Å; I128-F144 HydrophobicContact CG2-CB 4.07Å; I128-F144 HydrophobicContact CG2-CD1 4Å; I128-F144 HydrophobicContact CG2-CG 4.38Å; I128-E145 WeakPolarHBondContact CA-OE1 3.35Å; I128-E145 HydrophobicContact CG2-CG 3.86Å; I128-M147 HydrophobicContact CD1-CE 4.32Å; I128-M147 HydrophobicContact CD1-CG 3.96Å; I128-M147 HydrophobicContact CD1-SD 4.37Å; I128-M147 HydrophobicContact CG1-CE 4.2Å; I128-M147 HydrophobicContact CG1-CG 4.35Å; I128-M147 HydrophobicContact CG1-SD 4.13Å; I128-I201 HydrophobicContact CD1-CB 4.36Å; I128-I201 HydrophobicContact CD1-CD1 3.87Å; I128-K212 HydrophobicContact CG1-CB 3.74Å; I128-L213 PolarHBondContact N-O 2.69Å
129	D	89.6	Confident	82.8	Confident	47 Å²	47	54.1 Å²	54.1	25%	0.251	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-77.9	132.8	-173.8	-160.7	18.1	0	0	0	113.2	K123 I127 F144 E145	K123-D129 WeakPolarHBondContact CD-OD1 3.42Å; K123-D129 VanDerWaalsContact CE-OD1 3.29Å; K123-D129 WeakPolarHBondContact CE-OD1 3.47Å; K123-D129 IonicContact NZ-OD1 3.79Å; K123-D129 PolarHBondContact NZ-OD1 3.12Å; K123-D129 IonicContact NZ-OD2 3.89Å; K123-D129 PolarHBondContact NZ-OD2 3.23Å; I127-D129 PolarHBondContact O-N 3.07Å; D129-F144 CarbonylContact O-C 3.57Å; D129-F144 VanDerWaalsContact O-CA 3.26Å; D129-F144 WeakPolarHBondContact O-CA 3.41Å; D129-E145 HydrophobicContact CB-CB 4.34Å; D129-E145 HydrophobicContact CB-CG 4.11Å; D129-E145 PolarHBondContact N-OE1 3.1Å; D129-E145 PolarHBondContact O-N 2.71Å
130	L	86.6	Confident	81.8	Confident	10 Å²	10	54.6 Å²	54.6	5%	0.052	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.5	166.1	178.6	74	0	0	0	109.1	I116 L119 R120 K123 T133 V142 V143 F144	I116-L130 HydrophobicContact CG2-CD2 4.3Å; L119-L130 HydrophobicContact CB-CB 3.84Å; L119-L130 HydrophobicContact CB-CD2 3.69Å; L119-L130 HydrophobicContact CB-CG 4.33Å; R120-L130 HydrophobicContact CG-CD2 3.91Å; K123-L130 PolarHBondContact NZ-O 3.13Å; L130-T133 HydrophobicContact CD1-CG2 4.15Å; L130-T133 HydrophobicContact CD2-CG2 4.32Å; L130-V142 HydrophobicContact CD1-CG1 3.4Å; L130-V142 VanDerWaalsContact CD1-CG1 3.4Å; L130-V143 WeakPolarHBondContact CD1-O 3.34Å; L130-F144 HydrophobicContact CB-CD1 4.49Å; L130-F144 HydrophobicContact CB-CE1 4.46Å; L130-F144 HydrophobicContact CD1-CD1 4.35Å; L130-F144 HydrophobicContact CD1-CE1 4.15Å; L130-F144 HydrophobicContact CD1-CZ 4.35Å
131	I	83.2	Confident	80.8	Confident	72 Å²	72	48.3 Å²	48.3	37%	0.369	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-52.8	-176.4	-64.9	-179	0	0	0	110.6	F61 V143 E145	F61-I131 HydrophobicContact CD1-CD1 3.18Å; F61-I131 HydrophobicContact CE1-CD1 3.34Å; F61-I131 HydrophobicContact CE1-CG2 4.37Å; F61-I131 HydrophobicContact CG-CD1 4.33Å; I131-V143 HydrophobicContact CB-CG1 4.3Å; I131-V143 PolarHBondContact N-O 3.38Å; I131-E145 HydrophobicContact CD1-CB 4.03Å
132	D	79.7	Confident	79.8	Confident	49 Å²	49	45.2 Å²	45.2	26%	0.262	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	172.6	178.8	-147.1	-16.5	0	0	0	111.7	Y134 V143	D132-Y134 HydrophobicContact CB-CE2 3.84Å; D132-Y134 WeakPolarHBondContact CB-OH 3.42Å; D132-Y134 VanDerWaalsContact CG-OH 3.31Å; D132-Y134 VanDerWaalsContact OD2-CZ 3.25Å; D132-Y134 PolarHBondContact OD2-OH 3.36Å; D132-V143 PolarHBondContact N-O 2.7Å; D132-V143 WeakPolarHBondContact O-CA 3.22Å; D132-V143 WeakPolarHBondContact O-CB 3.45Å; D132-V143 PolarHBondContact O-N 3.02Å
133	T	73.2	Confident	79.2	Confident	17 Å²	17	45.4 Å²	45.4	10%	0.104	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.6	175.8	53.7	0	0	0	0	109.5	I116 R120 L130 F140 C141 V142	I116-T133 HydrophobicContact CD1-CG2 4.03Å; I116-T133 HydrophobicContact CG1-CG2 4.02Å; I116-T133 HydrophobicContact CG2-CG2 3.86Å; R120-T133 PolarHBondContact NH2-OG1 3Å; L130-T133 HydrophobicContact CD1-CG2 4.15Å; L130-T133 HydrophobicContact CD2-CG2 4.32Å; T133-F140 HydrophobicContact CG2-CE1 4.27Å; T133-C141 CarbonylContact C-O 3.57Å; T133-C141 WeakPolarHBondContact CA-O 3.12Å; T133-V142 HydrophobicContact CG2-CG1 4.25Å
134	Y	69	Low	78.6	Confident	51 Å²	51	40.5 Å²	40.5	20%	0.2	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.7	179.3	-54.4	-78.3	0	0	0	110.7	L92 L94 D132 C141 V143	L92-Y134 HydrophobicContact CD1-CD2 3.85Å; L92-Y134 HydrophobicContact CD1-CE2 3.96Å; L92-Y134 HydrophobicContact CD2-CD2 4.24Å; L92-Y134 HydrophobicContact CD2-CG 4.16Å; L94-Y134 HydrophobicContact CB-CD1 4.1Å; L94-Y134 HydrophobicContact CD1-CD1 4.46Å; L94-Y134 HydrophobicContact CD1-CG 4.46Å; D132-Y134 HydrophobicContact CB-CE2 3.84Å; D132-Y134 WeakPolarHBondContact CB-OH 3.42Å; D132-Y134 VanDerWaalsContact CG-OH 3.31Å; D132-Y134 VanDerWaalsContact OD2-CZ 3.25Å; D132-Y134 PolarHBondContact OD2-OH 3.36Å; Y134-C141 PolarHBondContact N-O 3.2Å; Y134-C141 PolarHBondContact O-N 3.42Å; Y134-V143 HydrophobicContact CD2-CG2 3.74Å; Y134-V143 HydrophobicContact CE2-CG2 3.64Å
135	Q	67.3	Low	78.1	Confident	75 Å²	75	40.4 Å²	40.4	35%	0.35	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.8	169.3	-176.9	-179.5	-14.6	0	0	108.3	F140	Q135-F140 HydrophobicContact CB-CD2 4.1Å; Q135-F140 HydrophobicContact CB-CE2 4.25Å; Q135-F140 HydrophobicContact CG-CD2 4.26Å
136	Y	61.9	Low	77.3	Confident	88 Å²	88	39.9 Å²	39.9	35%	0.345	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	111.7	176.3	-177	-99.9	0	0	0	109.4	L94 K138 Y139	L94-Y136 HydrophobicContact CD1-CD2 4.39Å; L94-Y136 HydrophobicContact CD2-CD2 4.02Å; Y136-K138 PolarHBondContact O-N 3.22Å; Y136-Y139 PolarHBondContact N-O 3.23Å; Y136-Y139 WeakPolarHBondContact O-CA 3.44Å; Y136-Y139 WeakPolarHBondContact O-CB 3.46Å; Y136-Y139 PolarHBondContact O-N 2.97Å
137	D	68.6	Low	76.5	Confident	122 Å²	122	37.4 Å²	37.4	65%	0.652	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	-122.6	-176.5	-172.4	36.1	0	0	0	111.7	Y139	D137-Y139 VanDerWaalsContact C-N 3.3Å
138	K	65.6	Low	75.9	Confident	74 Å²	74	40.8 Å²	40.8	32%	0.322	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	4.8	175.1	62.7	176.7	169.2	157.9	0	114.6	L68 N69 Y136	L68-K138 WeakPolarHBondContact CB-O 3.49Å; L68-K138 VanDerWaalsContact CG-O 3.28Å; L68-K138 WeakPolarHBondContact CG-O 3.27Å; L68-K138 PolarHBondContact N-O 2.73Å; N69-K138 VanDerWaalsContact ND2-CD 3.25Å; N69-K138 WeakPolarHBondContact ND2-CD 3.15Å; Y136-K138 PolarHBondContact O-N 3.22Å
139	Y	64.1	Low	75.3	Confident	17 Å²	17	40.8 Å²	40.8	7%	0.067	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.3	-177.1	-61.7	-75.1	0	0	0	112.2	L41 I66 D67 Y136 D137	L41-Y139 HydrophobicContact CD1-CD2 3.84Å; L41-Y139 HydrophobicContact CD1-CE1 4.16Å; L41-Y139 HydrophobicContact CD1-CE2 3.17Å; L41-Y139 HydrophobicContact CD2-CD1 3.63Å; L41-Y139 HydrophobicContact CD2-CD2 4.3Å; L41-Y139 HydrophobicContact CD2-CE1 3.09Å; L41-Y139 HydrophobicContact CD2-CE2 3.83Å; L41-Y139 HydrophobicContact CD2-CG 4.21Å; L41-Y139 HydrophobicContact CG-CE1 4.17Å; L41-Y139 HydrophobicContact CG-CE2 4.07Å; I66-Y139 CarbonylContact O-C 3.51Å; I66-Y139 WeakPolarHBondContact O-CA 3.4Å; D67-Y139 HydrophobicContact CB-CD1 3.97Å; D67-Y139 HydrophobicContact CB-CE1 3.58Å; D67-Y139 VanDerWaalsContact CG-CE1 3.4Å; D67-Y139 WeakPolarHBondContact OD2-CE1 3.44Å; D67-Y139 PolarHBondContact OD2-OH 2.96Å; Y136-Y139 PolarHBondContact N-O 3.23Å; Y136-Y139 WeakPolarHBondContact O-CA 3.44Å; Y136-Y139 WeakPolarHBondContact O-CB 3.46Å; Y136-Y139 PolarHBondContact O-N 2.97Å; D137-Y139 VanDerWaalsContact C-N 3.3Å
140	F	68	Low	75.1	Confident	14 Å²	14	41.7 Å²	41.7	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.5	172.1	-156.2	-79.6	0	0	0	109.4	I66 L68 L112 I116 T133 Q135 V142	I66-F140 HydrophobicContact CB-CB 4.19Å; I66-F140 WeakPolarHBondContact CB-O 2.98Å; I66-F140 PolarHBondContact N-O 2.81Å; I66-F140 PolarHBondContact O-N 3.14Å; L68-F140 HydrophobicContact CD2-CB 4.19Å; L68-F140 HydrophobicContact CG-CB 4.41Å; L112-F140 HydrophobicContact CD1-CD1 4.46Å; L112-F140 HydrophobicContact CD2-CB 4.06Å; L112-F140 HydrophobicContact CD2-CD1 3.73Å; L112-F140 HydrophobicContact CD2-CD2 4.24Å; L112-F140 HydrophobicContact CD2-CE1 4.25Å; L112-F140 HydrophobicContact CD2-CG 3.73Å; L112-F140 HydrophobicContact CG-CD1 4.39Å; I116-F140 HydrophobicContact CD1-CD1 4.29Å; I116-F140 HydrophobicContact CD1-CE1 3.26Å; I116-F140 HydrophobicContact CD1-CZ 3.5Å; T133-F140 HydrophobicContact CG2-CE1 4.27Å; Q135-F140 HydrophobicContact CB-CD2 4.1Å; Q135-F140 HydrophobicContact CB-CE2 4.25Å; Q135-F140 HydrophobicContact CG-CD2 4.26Å; F140-V142 HydrophobicContact CD1-CG2 3.88Å; F140-V142 HydrophobicContact CE1-CG2 4.05Å
141	C	70	Confident	75.1	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.034	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.6	-178.8	-53.8	0	0	0	0	109.2	V63 Q64 L65 T133 Y134	V63-C141 HydrophobicContact CG1-CB 3.84Å; Q64-C141 CarbonylContact O-C 3.54Å; Q64-C141 VanDerWaalsContact O-CA 3.32Å; Q64-C141 WeakPolarHBondContact O-CA 3.5Å; L65-C141 HydrophobicContact CD2-CB 4.27Å; L65-C141 WeakPolarHBondContact CD2-SG 3.48Å; T133-C141 CarbonylContact C-O 3.57Å; T133-C141 WeakPolarHBondContact CA-O 3.12Å; Y134-C141 PolarHBondContact N-O 3.2Å; Y134-C141 PolarHBondContact O-N 3.42Å
142	V	70.4	Confident	75.6	Confident	1 Å²	1	38 Å²	38	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120	174.5	-170.4	0	0	0	0	108.3	V63 Q64 I66 L112 L130 T133 F140 F144	V63-V142 CarbonylContact C-O 3.54Å; V63-V142 WeakPolarHBondContact CA-O 3.47Å; Q64-V142 HydrophobicContact CB-CB 4.28Å; Q64-V142 PolarHBondContact N-O 2.99Å; Q64-V142 PolarHBondContact O-N 2.84Å; I66-V142 HydrophobicContact CD1-CG2 3.96Å; L112-V142 HydrophobicContact CD1-CG2 4.12Å; L130-V142 HydrophobicContact CD1-CG1 3.4Å; L130-V142 VanDerWaalsContact CD1-CG1 3.4Å; T133-V142 HydrophobicContact CG2-CG1 4.25Å; F140-V142 HydrophobicContact CD1-CG2 3.88Å; F140-V142 HydrophobicContact CE1-CG2 4.05Å; V142-F144 HydrophobicContact CB-CE2 3.94Å; V142-F144 HydrophobicContact CG1-CD2 4.13Å; V142-F144 HydrophobicContact CG1-CE1 4.47Å; V142-F144 HydrophobicContact CG1-CE2 3.35Å; V142-F144 HydrophobicContact CG1-CZ 3.56Å
143	V	77.8	Confident	76.1	Confident	8 Å²	8	35.8 Å²	35.8	5%	0.048	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.7	-173.3	-172.9	0	0	0	0	110.3	F61 A62 V63 L130 I131 D132 Y134	F61-V143 HydrophobicContact CB-CG1 3.8Å; F61-V143 HydrophobicContact CG-CG1 4.24Å; A62-V143 CarbonylContact O-C 3.59Å; A62-V143 WeakPolarHBondContact O-CA 3.35Å; V63-V143 HydrophobicContact CG1-CG2 4.18Å; V63-V143 HydrophobicContact CG2-CG1 4.33Å; V63-V143 HydrophobicContact CG2-CG2 4.06Å; L130-V143 WeakPolarHBondContact CD1-O 3.34Å; I131-V143 HydrophobicContact CB-CG1 4.3Å; I131-V143 PolarHBondContact N-O 3.38Å; D132-V143 PolarHBondContact N-O 2.7Å; D132-V143 WeakPolarHBondContact O-CA 3.22Å; D132-V143 WeakPolarHBondContact O-CB 3.45Å; D132-V143 PolarHBondContact O-N 3.02Å; Y134-V143 HydrophobicContact CD2-CG2 3.74Å; Y134-V143 HydrophobicContact CE2-CG2 3.64Å
144	F	80.2	Confident	76.8	Confident	7 Å²	7	35.5 Å²	35.5	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	163.4	177.4	-64.7	-87.1	0	0	0	111.3	A62 F77 L119 I128 D129 L130 V142	A62-F144 HydrophobicContact CB-CB 4.38Å; A62-F144 PolarHBondContact N-O 2.98Å; A62-F144 PolarHBondContact O-N 2.9Å; F77-F144 HydrophobicContact CE2-CD2 4.25Å; F77-F144 HydrophobicContact CE2-CE1 4.46Å; F77-F144 AromaticContact CE2-CE2 3.61Å; F77-F144 HydrophobicContact CE2-CE2 3.61Å; F77-F144 AromaticContact CE2-CZ 3.73Å; F77-F144 HydrophobicContact CE2-CZ 3.73Å; F77-F144 HydrophobicContact CZ-CD1 4.4Å; F77-F144 AromaticContact CZ-CD2 4Å; F77-F144 HydrophobicContact CZ-CD2 4Å; F77-F144 HydrophobicContact CZ-CE1 4.18Å; F77-F144 AromaticContact CZ-CE2 3.76Å; F77-F144 HydrophobicContact CZ-CE2 3.76Å; F77-F144 HydrophobicContact CZ-CG 4.3Å; F77-F144 AromaticContact CZ-CZ 3.87Å; F77-F144 HydrophobicContact CZ-CZ 3.87Å; L119-F144 HydrophobicContact CD1-CE1 3.63Å; L119-F144 HydrophobicContact CD1-CZ 3.81Å; L119-F144 HydrophobicContact CD2-CE1 4.41Å; I128-F144 HydrophobicContact CG2-CB 4.07Å; I128-F144 HydrophobicContact CG2-CD1 4Å; I128-F144 HydrophobicContact CG2-CG 4.38Å; D129-F144 CarbonylContact O-C 3.57Å; D129-F144 VanDerWaalsContact O-CA 3.26Å; D129-F144 WeakPolarHBondContact O-CA 3.41Å; L130-F144 HydrophobicContact CB-CD1 4.49Å; L130-F144 HydrophobicContact CB-CE1 4.46Å; L130-F144 HydrophobicContact CD1-CD1 4.35Å; L130-F144 HydrophobicContact CD1-CE1 4.15Å; L130-F144 HydrophobicContact CD1-CZ 4.35Å; V142-F144 HydrophobicContact CB-CE2 3.94Å; V142-F144 HydrophobicContact CG1-CD2 4.13Å; V142-F144 HydrophobicContact CG1-CE1 4.47Å; V142-F144 HydrophobicContact CG1-CE2 3.35Å; V142-F144 HydrophobicContact CG1-CZ 3.56Å
145	E	84	Confident	77.8	Confident	39 Å²	39	33.4 Å²	33.4	18%	0.182	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	145.7	163.5	69	175.7	141.3	0	0	111	I128 D129 I131 M147 K212	I128-E145 WeakPolarHBondContact CA-OE1 3.35Å; I128-E145 HydrophobicContact CG2-CG 3.86Å; D129-E145 HydrophobicContact CB-CB 4.34Å; D129-E145 HydrophobicContact CB-CG 4.11Å; D129-E145 PolarHBondContact N-OE1 3.1Å; D129-E145 PolarHBondContact O-N 2.71Å; I131-E145 HydrophobicContact CD1-CB 4.03Å; E145-M147 HydrophobicContact CG-SD 4.25Å; E145-K212 WeakPolarHBondContact OE1-CD 3.32Å; E145-K212 IonicContact OE1-NZ 3.37Å; E145-K212 PolarHBondContact OE1-NZ 3.29Å; E145-K212 IonicContact OE2-NZ 2.71Å; E145-K212 PolarHBondContact OE2-NZ 2.86Å
146	Y	79.9	Confident	78.8	Confident	78 Å²	78	30 Å²	30	31%	0.306	14%	0.137	S	C	.	.	P	Polyproline II helix	trans	-77.1	130.1	175.8	176.8	-116	0	0	0	110.7	L49 P60 E148	L49-Y146 HydrophobicContact CD1-CD2 3.31Å; L49-Y146 HydrophobicContact CD1-CE2 3.34Å; L49-Y146 HydrophobicContact CD1-CG 4.48Å; L49-Y146 HydrophobicContact CD2-CE2 3.86Å; L49-Y146 HydrophobicContact CG-CE2 4.25Å; P60-Y146 HydrophobicContact CB-CD1 3.67Å; P60-Y146 HydrophobicContact CB-CE1 4.32Å; P60-Y146 HydrophobicContact CB-CG 3.74Å; P60-Y146 HydrophobicContact CG-CD1 3.44Å; P60-Y146 VanDerWaalsContact CG-CD1 3.44Å; P60-Y146 HydrophobicContact CG-CE1 4.21Å; P60-Y146 HydrophobicContact CG-CG 3.92Å; P60-Y146 VanDerWaalsContact O-CB 3.22Å; P60-Y146 WeakPolarHBondContact O-CB 2.93Å; Y146-E148 HydrophobicContact CD1-CB 4.44Å; Y146-E148 HydrophobicContact CE1-CB 3.79Å; Y146-E148 HydrophobicContact CE1-CG 4.47Å
147	M	81	Confident	80.2	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.02	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-102.7	116.8	170.5	-55.8	-63.6	-75.8	0	0	107.2	I79 I128 E145 I201 A203 K212	I79-M147 HydrophobicContact CD1-CG 4.33Å; I79-M147 HydrophobicContact CG2-CB 4.47Å; I128-M147 HydrophobicContact CD1-CE 4.32Å; I128-M147 HydrophobicContact CD1-CG 3.96Å; I128-M147 HydrophobicContact CD1-SD 4.37Å; I128-M147 HydrophobicContact CG1-CE 4.2Å; I128-M147 HydrophobicContact CG1-CG 4.35Å; I128-M147 HydrophobicContact CG1-SD 4.13Å; E145-M147 HydrophobicContact CG-SD 4.25Å; M147-I201 HydrophobicContact CB-CG2 3.79Å; M147-I201 HydrophobicContact CE-CB 4.12Å; M147-I201 HydrophobicContact CE-CG2 3.77Å; M147-I201 HydrophobicContact CG-CG2 4.06Å; M147-A203 HydrophobicContact CE-CB 4.07Å; M147-K212 HydrophobicContact CE-CB 3.64Å; M147-K212 HydrophobicContact CE-CD 3.78Å; M147-K212 HydrophobicContact CE-CG 3.78Å; M147-K212 HydrophobicContact SD-CD 3.89Å
148	E	81.4	Confident	81	Confident	75 Å²	75	26.3 Å²	26.3	35%	0.35	12%	0.12	S	C	.	.			trans	-76.4	-31.4	178.2	175.2	-176.9	-164	0	0	111.2	Y146 A203 N204 N205	Y146-E148 HydrophobicContact CD1-CB 4.44Å; Y146-E148 HydrophobicContact CE1-CB 3.79Å; Y146-E148 HydrophobicContact CE1-CG 4.47Å; E148-A203 PolarHBondContact N-O 3.42Å; E148-N204 HydrophobicContact CB-CB 4.12Å; E148-N204 WeakPolarHBondContact OE2-CB 3.39Å; E148-N205 PolarHBondContact O-OD1 3.36Å
149	G	80.5	Confident	82.2	Confident	4 Å²	4	23.5 Å²	23.5	4%	0.041	11%	0.107	C	C	.	.	S	Bend	trans	-83.1	171.3	176	0	0	0	0	0	113.6	L202 N205	G149-L202 CarbonylContact C-O 3.55Å; G149-L202 VanDerWaalsContact CA-O 3.27Å; G149-L202 WeakPolarHBondContact CA-O 3.15Å; G149-L202 PolarHBondContact N-O 2.99Å; G149-N205 WeakPolarHBondContact CA-OD1 3.45Å
150	R	84.4	Confident	83.3	Confident	65 Å²	65	23.4 Å²	23.4	25%	0.245	11%	0.11	C	C	.	.			trans	-100.8	-176.1	179.8	-54.5	166.4	63.3	179.6	7.1	111.1	E80 L154 E155 E158 L202	E80-R150 IonicContact OE1-CZ 2.9Å; E80-R150 VanDerWaalsContact OE1-CZ 3.23Å; E80-R150 IonicContact OE1-NE 3.04Å; E80-R150 PolarHBondContact OE1-NE 3.03Å; E80-R150 IonicContact OE1-NH2 3.62Å; E80-R150 PolarHBondContact OE1-NH2 3.31Å; R150-L154 HydrophobicContact CB-CB 4.5Å; R150-E155 HydrophobicContact CB-CG 4.02Å; R150-E155 PolarHBondContact N-OE1 3.18Å; R150-E158 IonicContact NH1-OE2 2.96Å; R150-E158 PolarHBondContact NH1-OE2 3.05Å; R150-L202 PolarHBondContact O-N 2.89Å
151	D	87.7	Confident	84.2	Confident	3 Å²	3	26.6 Å²	26.6	2%	0.016	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-65.8	149.8	169.6	67.8	105.3	0	0	0	111.5	C153 L154 E155 A200 I201 R356	D151-C153 PolarHBondContact O-N 3.04Å; D151-C153 VanDerWaalsContact O-N 3.11Å; D151-L154 PolarHBondContact O-N 3.41Å; D151-L154 WeakPolarHBondContact OD2-CD1 3.45Å; D151-E155 PolarHBondContact O-N 3.37Å; D151-E155 VanDerWaalsContact O-N 3.17Å; D151-A200 CarbonylContact C-O 3.57Å; D151-A200 VanDerWaalsContact CA-O 3.27Å; D151-A200 WeakPolarHBondContact CA-O 3.26Å; D151-I201 HydrophobicContact CB-CG1 4.36Å; D151-R356 IonicContact OD1-CZ 3.12Å; D151-R356 IonicContact OD1-NH1 2.82Å; D151-R356 PolarHBondContact OD1-NH1 2.91Å; D151-R356 IonicContact OD1-NH2 3.11Å; D151-R356 PolarHBondContact OD1-NH2 3.49Å; D151-R356 IonicContact OD2-CZ 3.24Å; D151-R356 IonicContact OD2-NH1 3.44Å; D151-R356 IonicContact OD2-NH2 3.36Å; D151-R356 PolarHBondContact OD2-NH2 3.21Å
152	L	92	Very high	85	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-55.3	-36.3	-169.4	179.1	61.9	0	0	0	112.9	L154 E155 V156 Y174 A200 L202 L211 L266	L152-L154 VanDerWaalsContact C-N 3.29Å; L152-L154 PolarHBondContact O-N 3.16Å; L152-E155 PolarHBondContact O-N 3.42Å; L152-V156 HydrophobicContact CD1-CG2 3.92Å; L152-V156 HydrophobicContact CG-CG2 4.26Å; L152-V156 WeakPolarHBondContact O-CB 3.29Å; L152-V156 WeakPolarHBondContact O-CG2 3.5Å; L152-V156 PolarHBondContact O-N 3.28Å; L152-Y174 HydrophobicContact CD1-CD2 3.66Å; L152-Y174 HydrophobicContact CD1-CE2 3.6Å; L152-Y174 HydrophobicContact CD1-CG 4.18Å; L152-Y174 HydrophobicContact CD2-CD2 4.05Å; L152-Y174 HydrophobicContact CD2-CG 4.14Å; L152-A200 PolarHBondContact N-O 3.42Å; L152-L202 HydrophobicContact CD1-CD1 4.2Å; L152-L202 HydrophobicContact CD1-CD2 4.18Å; L152-L202 HydrophobicContact CD1-CG 4.39Å; L152-L211 HydrophobicContact CD2-CD1 3.92Å; L152-L266 HydrophobicContact CD2-CD1 3.63Å; L152-L266 HydrophobicContact CD2-CD2 3.75Å; L152-L266 HydrophobicContact CD2-CG 4.36Å; L152-L266 HydrophobicContact CG-CD2 4Å
153	C	90.5	Very high	85.6	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.014	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-37.1	-179	-66	0	0	0	0	111.9	D151 M349 N353	D151-C153 PolarHBondContact O-N 3.04Å; D151-C153 VanDerWaalsContact O-N 3.11Å; C153-M349 HydrophobicContact CB-SD 3.69Å; C153-M349 WeakPolarHBondContact O-CG 3.32Å; C153-N353 PolarHBondContact O-ND2 2.73Å
154	L	87.9	Confident	86.1	Confident	11 Å²	11	34.4 Å²	34.4	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-79.8	-42.6	179.9	-79	156.1	0	0	0	112.2	E80 R150 D151 L152 V156 V157 E158 N353	E80-L154 WeakPolarHBondContact OE1-CD1 3.47Å; E80-L154 WeakPolarHBondContact OE2-CD1 3.1Å; R150-L154 HydrophobicContact CB-CB 4.5Å; D151-L154 PolarHBondContact O-N 3.41Å; D151-L154 WeakPolarHBondContact OD2-CD1 3.45Å; L152-L154 VanDerWaalsContact C-N 3.29Å; L152-L154 PolarHBondContact O-N 3.16Å; L154-V156 VanDerWaalsContact C-N 3.28Å; L154-V156 PolarHBondContact O-N 3.25Å; L154-V157 PolarHBondContact O-N 2.96Å; L154-E158 PolarHBondContact O-N 3.47Å; L154-N353 WeakPolarHBondContact CA-ND2 3.12Å; L154-N353 HydrophobicContact CD2-CB 3.53Å; L154-N353 VanDerWaalsContact CD2-CG 3.42Å; L154-N353 HydrophobicContact CG-CB 4.28Å
155	E	89.6	Confident	86.6	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.028	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-38.1	175.1	-74.4	-74.2	152.2	0	0	112.8	R150 D151 L152 V157 E158 R159 L202	R150-E155 HydrophobicContact CB-CG 4.02Å; R150-E155 PolarHBondContact N-OE1 3.18Å; D151-E155 PolarHBondContact O-N 3.37Å; D151-E155 VanDerWaalsContact O-N 3.17Å; L152-E155 PolarHBondContact O-N 3.42Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 2.93Å; E155-E158 PolarHBondContact O-N 2.99Å; E155-R159 VanDerWaalsContact O-CB 3.26Å; E155-R159 WeakPolarHBondContact O-CB 3.3Å; E155-R159 WeakPolarHBondContact O-CG 3.44Å; E155-R159 PolarHBondContact O-N 3.49Å; E155-R159 IonicContact OE2-CZ 2.84Å; E155-R159 IonicContact OE2-NE 2.98Å; E155-R159 PolarHBondContact OE2-NE 3.26Å; E155-R159 IonicContact OE2-NH2 2.7Å; E155-R159 PolarHBondContact OE2-NH2 3.43Å; E155-L202 HydrophobicContact CB-CD1 3.66Å; E155-L202 HydrophobicContact CB-CG 4.46Å; E155-L202 HydrophobicContact CG-CB 4.38Å; E155-L202 HydrophobicContact CG-CD1 3.71Å; E155-L202 HydrophobicContact CG-CG 4.16Å
156	V	90.3	Very high	87.1	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.03	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-43.5	179.5	162.1	0	0	0	0	111.8	L152 L154 A160 Y166 V346	L152-V156 HydrophobicContact CD1-CG2 3.92Å; L152-V156 HydrophobicContact CG-CG2 4.26Å; L152-V156 WeakPolarHBondContact O-CB 3.29Å; L152-V156 WeakPolarHBondContact O-CG2 3.5Å; L152-V156 PolarHBondContact O-N 3.28Å; L154-V156 VanDerWaalsContact C-N 3.28Å; L154-V156 PolarHBondContact O-N 3.25Å; V156-A160 WeakPolarHBondContact O-CB 3.41Å; V156-A160 PolarHBondContact O-N 2.88Å; V156-Y166 HydrophobicContact CB-CD2 4.24Å; V156-Y166 HydrophobicContact CB-CE2 4.09Å; V156-Y166 HydrophobicContact CG1-CD1 3.68Å; V156-Y166 HydrophobicContact CG1-CD2 3.59Å; V156-Y166 HydrophobicContact CG1-CE1 3.72Å; V156-Y166 HydrophobicContact CG1-CE2 3.64Å; V156-Y166 HydrophobicContact CG1-CG 3.59Å; V156-Y166 HydrophobicContact CG2-CD2 3.64Å; V156-Y166 HydrophobicContact CG2-CE2 3.21Å; V156-Y166 HydrophobicContact CG2-CG 4.5Å; V156-V346 HydrophobicContact CG1-CG2 4.32Å
157	V	89.4	Confident	87.8	Confident	21 Å²	21	32.3 Å²	32.3	13%	0.127	20%	0.201	C	C	.	.	H	α-helix	trans	-69.1	-45.3	-179.3	175.4	0	0	0	0	110.6	L154 E155 A160 A161 M349 H350 N353	L154-V157 PolarHBondContact O-N 2.96Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 2.93Å; V157-A160 PolarHBondContact O-N 3.43Å; V157-A161 WeakPolarHBondContact O-CB 3.37Å; V157-A161 PolarHBondContact O-N 3Å; V157-M349 HydrophobicContact CG2-CB 3.9Å; V157-M349 HydrophobicContact CG2-CG 3.73Å; V157-H350 HydrophobicContact CG1-CB 3.9Å; V157-H350 HydrophobicContact CG2-CB 4.24Å; V157-N353 WeakPolarHBondContact CG2-ND2 3.39Å
158	E	86.9	Confident	88.6	Confident	110 Å²	110	32.1 Å²	32.1	51%	0.514	20%	0.201	S	C	.	.	H	α-helix	trans	-64.5	-44.9	-179.9	-170.8	166.5	173.6	0	0	111.9	R150 L154 E155 A161 A162	R150-E158 IonicContact NH1-OE2 2.96Å; R150-E158 PolarHBondContact NH1-OE2 3.05Å; L154-E158 PolarHBondContact O-N 3.47Å; E155-E158 PolarHBondContact O-N 2.99Å; E158-A161 PolarHBondContact O-N 3.17Å; E158-A162 PolarHBondContact O-N 3.39Å; E158-A162 VanDerWaalsContact O-N 3.11Å
159	R	89.4	Confident	89.2	Confident	15 Å²	15	30.8 Å²	30.8	6%	0.057	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-42.6	176.4	-68.4	173.6	-170.1	-144.8	-9.5	111.7	E155 A161 A162 G163 F164 Y174 N204 E206 N207	E155-R159 VanDerWaalsContact O-CB 3.26Å; E155-R159 WeakPolarHBondContact O-CB 3.3Å; E155-R159 WeakPolarHBondContact O-CG 3.44Å; E155-R159 PolarHBondContact O-N 3.49Å; E155-R159 IonicContact OE2-CZ 2.84Å; E155-R159 IonicContact OE2-NE 2.98Å; E155-R159 PolarHBondContact OE2-NE 3.26Å; E155-R159 IonicContact OE2-NH2 2.7Å; E155-R159 PolarHBondContact OE2-NH2 3.43Å; R159-A161 VanDerWaalsContact C-N 3.32Å; R159-A161 PolarHBondContact O-N 3.04Å; R159-A162 CarbonylContact O-C 3.59Å; R159-A162 WeakPolarHBondContact O-CA 3.41Å; R159-A162 WeakPolarHBondContact O-CB 3.44Å; R159-A162 PolarHBondContact O-N 2.68Å; R159-A162 VanDerWaalsContact O-N 3.09Å; R159-G163 PolarHBondContact O-N 3.03Å; R159-F164 VanDerWaalsContact C-CB 3.47Å; R159-F164 HydrophobicContact CB-CB 3.73Å; R159-F164 HydrophobicContact CB-CD1 4.19Å; R159-F164 HydrophobicContact CB-CG 4.04Å; R159-F164 WeakPolarHBondContact O-CB 3.32Å; R159-F164 PolarHBondContact O-N 3.02Å; R159-Y174 PolarHBondContact NH1-OH 2.99Å; R159-N204 PolarHBondContact NH2-O 3.34Å; R159-N204 VanDerWaalsContact NH2-O 3.13Å; R159-E206 VanDerWaalsContact CZ-O 3.26Å; R159-E206 PolarHBondContact NH1-O 3.13Å; R159-E206 PolarHBondContact NH2-O 3.42Å; R159-E206 VanDerWaalsContact NH2-O 3.07Å; R159-N207 PolarHBondContact NH1-O 2.88Å
160	A	89.1	Confident	89.9	Confident	16 Å²	16	31.6 Å²	31.6	13%	0.132	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-40.1	178	0	0	0	0	0	111.6	V156 V157 A162 G163 F164 V346	V156-A160 WeakPolarHBondContact O-CB 3.41Å; V156-A160 PolarHBondContact O-N 2.88Å; V157-A160 PolarHBondContact O-N 3.43Å; A160-A162 VanDerWaalsContact C-N 3.26Å; A160-A162 PolarHBondContact O-N 3.33Å; A160-G163 PolarHBondContact O-N 3.09Å; A160-F164 WeakPolarHBondContact CA-O 3.5Å; A160-V346 HydrophobicContact CB-CB 4.49Å; A160-V346 HydrophobicContact CB-CG1 3.66Å; A160-V346 HydrophobicContact CB-CG2 4Å
161	A	86.5	Confident	90.5	Very high	81 Å²	81	28.5 Å²	28.5	67%	0.669	19%	0.186	S	C	*	.	H	α-helix	trans	-61.7	-33.4	172.6	0	0	0	0	0	112.5	V157 E158 R159 G163	V157-A161 WeakPolarHBondContact O-CB 3.37Å; V157-A161 PolarHBondContact O-N 3Å; E158-A161 PolarHBondContact O-N 3.17Å; R159-A161 VanDerWaalsContact C-N 3.32Å; R159-A161 PolarHBondContact O-N 3.04Å; A161-G163 PolarHBondContact O-N 2.79Å
162	A	85.8	Confident	91	Very high	82 Å²	82	28.4 Å²	28.4	68%	0.678	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	5.7	172.4	0	0	0	0	0	114.4	E158 R159 A160	E158-A162 PolarHBondContact O-N 3.39Å; E158-A162 VanDerWaalsContact O-N 3.11Å; R159-A162 CarbonylContact O-C 3.59Å; R159-A162 WeakPolarHBondContact O-CA 3.41Å; R159-A162 WeakPolarHBondContact O-CB 3.44Å; R159-A162 PolarHBondContact O-N 2.68Å; R159-A162 VanDerWaalsContact O-N 3.09Å; A160-A162 VanDerWaalsContact C-N 3.26Å; A160-A162 PolarHBondContact O-N 3.33Å
163	G	84.3	Confident	91.1	Very high	55 Å²	55	31.1 Å²	31.1	57%	0.567	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.6	10.7	176.8	0	0	0	0	0	115.7	R159 A160 A161	R159-G163 PolarHBondContact O-N 3.03Å; A160-G163 PolarHBondContact O-N 3.09Å; A161-G163 PolarHBondContact O-N 2.79Å
164	F	87.8	Confident	91.4	Very high	41 Å²	41	31.4 Å²	31.4	18%	0.18	20%	0.199	C	C	.	.			trans	-73	130.9	176	-179.1	-95	0	0	0	112.1	R159 A160 Y166 V170 N207	R159-F164 VanDerWaalsContact C-CB 3.47Å; R159-F164 HydrophobicContact CB-CB 3.73Å; R159-F164 HydrophobicContact CB-CD1 4.19Å; R159-F164 HydrophobicContact CB-CG 4.04Å; R159-F164 WeakPolarHBondContact O-CB 3.32Å; R159-F164 PolarHBondContact O-N 3.02Å; A160-F164 WeakPolarHBondContact CA-O 3.5Å; F164-Y166 PolarHBondContact O-N 3.32Å; F164-Y166 VanDerWaalsContact O-N 3.1Å; F164-V170 HydrophobicContact CE1-CG1 4Å; F164-V170 HydrophobicContact CE1-CG2 4.16Å; F164-V170 HydrophobicContact CZ-CG1 3.94Å; F164-V170 HydrophobicContact CZ-CG2 3.9Å; F164-N207 HydrophobicContact CD2-CB 4.21Å; F164-N207 HydrophobicContact CE2-CB 4.07Å
165	V	91.1	Very high	91.9	Very high	76 Å²	76	31 Å²	31	46%	0.461	20%	0.196	S	C	.	.			trans	-78.1	97.2	175.5	176.6	0	0	0	0	110.4	H341	V165-H341 HydrophobicContact CG1-CB 3.96Å
166	Y	94	Very high	92.3	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.207	C	C	.	.			trans	-78.3	120.5	170.2	-173.4	-113.4	0	0	0	111	V156 F164 V170 I171 L266 H341 L342 T345 V346	V156-Y166 HydrophobicContact CB-CD2 4.24Å; V156-Y166 HydrophobicContact CB-CE2 4.09Å; V156-Y166 HydrophobicContact CG1-CD1 3.68Å; V156-Y166 HydrophobicContact CG1-CD2 3.59Å; V156-Y166 HydrophobicContact CG1-CE1 3.72Å; V156-Y166 HydrophobicContact CG1-CE2 3.64Å; V156-Y166 HydrophobicContact CG1-CG 3.59Å; V156-Y166 HydrophobicContact CG2-CD2 3.64Å; V156-Y166 HydrophobicContact CG2-CE2 3.21Å; V156-Y166 HydrophobicContact CG2-CG 4.5Å; F164-Y166 PolarHBondContact O-N 3.32Å; F164-Y166 VanDerWaalsContact O-N 3.1Å; Y166-V170 HydrophobicContact CD2-CG1 4.36Å; Y166-I171 HydrophobicContact CE1-CD1 3.84Å; Y166-I171 HydrophobicContact CE1-CG1 4.17Å; Y166-I171 HydrophobicContact CE2-CD1 4.34Å; Y166-I171 HydrophobicContact CE2-CG1 3.74Å; Y166-I171 VanDerWaalsContact CZ-CG1 3.48Å; Y166-I171 WeakPolarHBondContact OH-CD1 3.49Å; Y166-I171 VanDerWaalsContact OH-CG1 3.3Å; Y166-I171 WeakPolarHBondContact OH-CG1 3.19Å; Y166-L266 WeakPolarHBondContact CE1-O 3.5Å; Y166-L266 PolarHBondContact OH-O 3.03Å; Y166-H341 PolarHBondContact N-ND1 3.36Å; Y166-H341 VanDerWaalsContact N-ND1 3.18Å; Y166-H341 CarbonylContact O-C 3.57Å; Y166-H341 VanDerWaalsContact O-CA 3.3Å; Y166-H341 WeakPolarHBondContact O-CA 3.35Å; Y166-H341 PolarHBondContact O-ND1 3.14Å; Y166-L342 HydrophobicContact CD1-CB 4.43Å; Y166-L342 PolarHBondContact O-N 3.28Å; Y166-T345 HydrophobicContact CE1-CG2 4.03Å; Y166-V346 HydrophobicContact CD1-CG2 3.81Å; Y166-V346 HydrophobicContact CG-CG2 4.25Å
167	S	95.1	Very high	92.6	Very high	4 Å²	4	34 Å²	34	3%	0.028	21%	0.207	C	C	.	.			trans	-145.4	166.3	-172.4	60.4	0	0	0	0	112.1	F169 V170 I171 V340	S167-F169 PolarHBondContact O-N 2.88Å; S167-V170 WeakPolarHBondContact O-CB 3.34Å; S167-V170 PolarHBondContact O-N 3.21Å; S167-I171 WeakPolarHBondContact O-CG1 3.35Å; S167-I171 PolarHBondContact O-N 3.23Å; S167-I171 VanDerWaalsContact O-N 3.07Å; S167-V340 WeakPolarHBondContact CA-O 3.44Å; S167-V340 WeakPolarHBondContact CB-O 3.43Å
168	E	96.1	Very high	93	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-54.9	-36.6	174.2	-69.6	-175.2	-131.8	0	0	112.8	V170 I171 S172 L267 I299 S300 A303 W329 A337 Q338 L342	E168-V170 VanDerWaalsContact C-N 3.27Å; E168-V170 PolarHBondContact O-N 3.15Å; E168-I171 PolarHBondContact O-N 3.08Å; E168-S172 VanDerWaalsContact O-CB 3.32Å; E168-S172 WeakPolarHBondContact O-CB 3.48Å; E168-S172 PolarHBondContact O-N 2.92Å; E168-L267 HydrophobicContact CG-CD2 3.96Å; E168-I299 HydrophobicContact CG-CD1 4.37Å; E168-I299 WeakPolarHBondContact OE1-CA 3.47Å; E168-S300 WeakPolarHBondContact OE1-CB 3.31Å; E168-S300 PolarHBondContact OE1-N 2.77Å; E168-S300 WeakPolarHBondContact OE2-CB 3.29Å; E168-S300 PolarHBondContact OE2-OG 2.9Å; E168-A303 WeakPolarHBondContact OE2-CB 3.49Å; E168-W329 HydrophobicContact CB-CZ2 4.25Å; E168-W329 PolarHBondContact OE2-NE1 3.43Å; E168-A337 HydrophobicContact CB-CB 4.25Å; E168-Q338 HydrophobicContact CB-CB 4.46Å; E168-Q338 WeakPolarHBondContact CB-O 3.46Å; E168-Q338 PolarHBondContact N-O 3.25Å; E168-L342 HydrophobicContact CG-CD1 4.29Å
169	F	95.7	Very high	93.6	Very high	47 Å²	47	27.9 Å²	27.9	21%	0.206	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-38.6	176.8	-176.5	-91.3	0	0	0	112.6	S167 H173 K333 E334 A337 Q338 K339	S167-F169 PolarHBondContact O-N 2.88Å; F169-H173 PolarHBondContact O-N 2.93Å; F169-K333 HydrophobicContact CD2-CB 4.42Å; F169-K333 HydrophobicContact CD2-CD 4.15Å; F169-K333 HydrophobicContact CD2-CG 4.24Å; F169-K333 WeakPolarHBondContact CD2-O 3.43Å; F169-K333 HydrophobicContact CE2-CB 4.48Å; F169-K333 HydrophobicContact CE2-CD 3.77Å; F169-K333 HydrophobicContact CE2-CG 3.84Å; F169-K333 HydrophobicContact CZ-CD 4.11Å; F169-E334 HydrophobicContact CE2-CG 4.16Å; F169-A337 HydrophobicContact CB-CB 4.43Å; F169-Q338 PolarHBondContact N-O 3.28Å; F169-K339 HydrophobicContact CB-CG 3.9Å; F169-K339 HydrophobicContact CD2-CG 4.32Å; F169-K339 HydrophobicContact CG-CG 4.11Å
170	V	95.1	Very high	94	Very high	21 Å²	21	29.3 Å²	29.3	13%	0.127	19%	0.186	C	C	.	.	H	α-helix	trans	-70.9	-44.9	176.1	174.8	0	0	0	0	110.2	F164 Y166 S167 E168 H173 Y174	F164-V170 HydrophobicContact CE1-CG1 4Å; F164-V170 HydrophobicContact CE1-CG2 4.16Å; F164-V170 HydrophobicContact CZ-CG1 3.94Å; F164-V170 HydrophobicContact CZ-CG2 3.9Å; Y166-V170 HydrophobicContact CD2-CG1 4.36Å; S167-V170 WeakPolarHBondContact O-CB 3.34Å; S167-V170 PolarHBondContact O-N 3.21Å; E168-V170 VanDerWaalsContact C-N 3.27Å; E168-V170 PolarHBondContact O-N 3.15Å; V170-H173 WeakPolarHBondContact O-CB 3.07Å; V170-H173 PolarHBondContact O-N 3.38Å; V170-H173 VanDerWaalsContact O-N 3.14Å; V170-Y174 HydrophobicContact CG1-CD2 3.83Å; V170-Y174 HydrophobicContact CG1-CE2 3.41Å; V170-Y174 VanDerWaalsContact CG1-CE2 3.41Å; V170-Y174 WeakPolarHBondContact O-CD2 3.22Å; V170-Y174 PolarHBondContact O-N 3.39Å; V170-Y174 VanDerWaalsContact O-N 3.12Å
171	I	96.4	Very high	94.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-51.3	178.4	-60.5	168	0	0	0	110.3	Y166 S167 E168 H173 Y174 V175 L266 L267 W329 L342	Y166-I171 HydrophobicContact CE1-CD1 3.84Å; Y166-I171 HydrophobicContact CE1-CG1 4.17Å; Y166-I171 HydrophobicContact CE2-CD1 4.34Å; Y166-I171 HydrophobicContact CE2-CG1 3.74Å; Y166-I171 VanDerWaalsContact CZ-CG1 3.48Å; Y166-I171 WeakPolarHBondContact OH-CD1 3.49Å; Y166-I171 VanDerWaalsContact OH-CG1 3.3Å; Y166-I171 WeakPolarHBondContact OH-CG1 3.19Å; S167-I171 WeakPolarHBondContact O-CG1 3.35Å; S167-I171 PolarHBondContact O-N 3.23Å; S167-I171 VanDerWaalsContact O-N 3.07Å; E168-I171 PolarHBondContact O-N 3.08Å; I171-H173 PolarHBondContact O-N 3.39Å; I171-Y174 PolarHBondContact O-N 3.05Å; I171-Y174 VanDerWaalsContact O-N 3.1Å; I171-V175 HydrophobicContact CG2-CG2 4.05Å; I171-V175 WeakPolarHBondContact O-CB 3.46Å; I171-V175 VanDerWaalsContact O-CG2 3.26Å; I171-V175 WeakPolarHBondContact O-CG2 3.3Å; I171-V175 PolarHBondContact O-N 3.46Å; I171-L266 HydrophobicContact CD1-CB 4.48Å; I171-L266 VanDerWaalsContact CD1-O 3.26Å; I171-L266 WeakPolarHBondContact CD1-O 3.08Å; I171-L266 HydrophobicContact CG2-CB 3.87Å; I171-L266 HydrophobicContact CG2-CD1 3.97Å; I171-L267 HydrophobicContact CD1-CD2 3.65Å; I171-L267 HydrophobicContact CD1-CG 4.32Å; I171-L267 HydrophobicContact CG2-CD2 4.48Å; I171-W329 HydrophobicContact CB-CH2 4.32Å; I171-W329 HydrophobicContact CG2-CH2 3.76Å; I171-W329 HydrophobicContact CG2-CZ2 4.38Å; I171-L342 HydrophobicContact CD1-CD1 3.81Å
172	S	97.1	Very high	94.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-54.4	-38.8	175.7	166.9	0	0	0	0	111.9	E168 R176 W329 K333	E168-S172 VanDerWaalsContact O-CB 3.32Å; E168-S172 WeakPolarHBondContact O-CB 3.48Å; E168-S172 PolarHBondContact O-N 2.92Å; S172-R176 WeakPolarHBondContact O-CB 3.3Å; S172-R176 PolarHBondContact O-N 3.23Å; S172-W329 PolarHBondContact OG-O 3.2Å; S172-K333 WeakPolarHBondContact OG-CB 3.27Å
173	H	95.8	Very high	95.5	Very high	60 Å²	60	22.1 Å²	22.1	28%	0.278	13%	0.125	S	C	.	.	H	α-helix	trans	-63.5	-45.5	176.6	-176	84.6	0	0	0	113	F169 V170 I171 R176 Q177	F169-H173 PolarHBondContact O-N 2.93Å; V170-H173 WeakPolarHBondContact O-CB 3.07Å; V170-H173 PolarHBondContact O-N 3.38Å; V170-H173 VanDerWaalsContact O-N 3.14Å; I171-H173 PolarHBondContact O-N 3.39Å; H173-R176 PolarHBondContact CE1-NH2 3.4Å; H173-R176 PolarHBondContact ND1-NH2 2.88Å; H173-R176 VanDerWaalsContact ND1-NH2 3.15Å; H173-Q177 PolarHBondContact CD2-NE2 3.38Å; H173-Q177 PolarHBondContact NE2-NE2 2.92Å; H173-Q177 WeakPolarHBondContact O-CG 3.19Å; H173-Q177 PolarHBondContact O-N 3.29Å
174	Y	96.8	Very high	96.1	Very high	9 Å²	9	21.2 Å²	21.2	4%	0.035	11%	0.105	C	C	.	.	H	α-helix	trans	-69.1	-42	177	-71.5	-52.4	0	0	0	112.4	L152 R159 V170 I171 R176 Q177 L178 L202 L211	L152-Y174 HydrophobicContact CD1-CD2 3.66Å; L152-Y174 HydrophobicContact CD1-CE2 3.6Å; L152-Y174 HydrophobicContact CD1-CG 4.18Å; L152-Y174 HydrophobicContact CD2-CD2 4.05Å; L152-Y174 HydrophobicContact CD2-CG 4.14Å; R159-Y174 PolarHBondContact NH1-OH 2.99Å; V170-Y174 HydrophobicContact CG1-CD2 3.83Å; V170-Y174 HydrophobicContact CG1-CE2 3.41Å; V170-Y174 VanDerWaalsContact CG1-CE2 3.41Å; V170-Y174 WeakPolarHBondContact O-CD2 3.22Å; V170-Y174 PolarHBondContact O-N 3.39Å; V170-Y174 VanDerWaalsContact O-N 3.12Å; I171-Y174 PolarHBondContact O-N 3.05Å; I171-Y174 VanDerWaalsContact O-N 3.1Å; Y174-R176 VanDerWaalsContact C-N 3.28Å; Y174-R176 PolarHBondContact O-N 2.83Å; Y174-Q177 WeakPolarHBondContact O-CB 3.42Å; Y174-Q177 PolarHBondContact O-N 3.19Å; Y174-L178 PolarHBondContact O-N 3.28Å; Y174-L202 HydrophobicContact CD1-CD2 4.14Å; Y174-L202 HydrophobicContact CE1-CD2 3.6Å; Y174-L211 HydrophobicContact CD1-CB 3.93Å; Y174-L211 HydrophobicContact CD1-CD1 4.49Å
175	V	97.7	Very high	96.5	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-60.2	-40.1	176.9	172.9	0	0	0	0	110.7	I171 Q177 L178 L179 V263 L266 F306 I330	I171-V175 HydrophobicContact CG2-CG2 4.05Å; I171-V175 WeakPolarHBondContact O-CB 3.46Å; I171-V175 VanDerWaalsContact O-CG2 3.26Å; I171-V175 WeakPolarHBondContact O-CG2 3.3Å; I171-V175 PolarHBondContact O-N 3.46Å; V175-Q177 VanDerWaalsContact C-N 3.32Å; V175-Q177 PolarHBondContact O-N 3.49Å; V175-L178 WeakPolarHBondContact O-CB 3.45Å; V175-L178 PolarHBondContact O-N 3.36Å; V175-L179 HydrophobicContact CG1-CD1 4.08Å; V175-L179 HydrophobicContact CG1-CG 4.24Å; V175-L179 VanDerWaalsContact O-CG 3.29Å; V175-L179 WeakPolarHBondContact O-CG 3.46Å; V175-L179 PolarHBondContact O-N 2.96Å; V175-V263 HydrophobicContact CG1-CG2 4.06Å; V175-V263 HydrophobicContact CG2-CG2 3.74Å; V175-L266 HydrophobicContact CG2-CD1 4.47Å; V175-F306 HydrophobicContact CG1-CE1 3.96Å; V175-F306 HydrophobicContact CG1-CZ 4.1Å; V175-I330 HydrophobicContact CB-CD1 4.12Å; V175-I330 HydrophobicContact CG1-CD1 3.78Å
176	R	97.9	Very high	96.7	Very high	69 Å²	69	17.5 Å²	17.5	26%	0.26	9%	0.085	S	C	.	.	H	α-helix	trans	-60.6	-38.5	174	-171.7	177.6	54.8	81	16.1	112.8	S172 H173 Y174 L179 N180 L325 I330	S172-R176 WeakPolarHBondContact O-CB 3.3Å; S172-R176 PolarHBondContact O-N 3.23Å; H173-R176 PolarHBondContact CE1-NH2 3.4Å; H173-R176 PolarHBondContact ND1-NH2 2.88Å; H173-R176 VanDerWaalsContact ND1-NH2 3.15Å; Y174-R176 VanDerWaalsContact C-N 3.28Å; Y174-R176 PolarHBondContact O-N 2.83Å; R176-L179 PolarHBondContact O-N 2.96Å; R176-N180 VanDerWaalsContact O-CG 3.26Å; R176-N180 PolarHBondContact O-N 3.24Å; R176-N180 PolarHBondContact O-ND2 3.12Å; R176-L325 HydrophobicContact CG-CD2 4.29Å; R176-I330 HydrophobicContact CB-CG2 3.92Å; R176-I330 HydrophobicContact CG-CG2 3.83Å
177	Q	97.5	Very high	96.8	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.028	12%	0.116	C	C	.	.	H	α-helix	trans	-66.4	-41.9	176.1	-63.5	178.8	7.7	0	0	111.2	Y126 H173 Y174 V175 N180 A181	Y126-Q177 HydrophobicContact CD1-CB 3.96Å; Y126-Q177 HydrophobicContact CD1-CG 4.2Å; Y126-Q177 HydrophobicContact CD2-CB 3.98Å; Y126-Q177 HydrophobicContact CD2-CG 4.45Å; Y126-Q177 WeakPolarHBondContact CD2-O 3.36Å; Y126-Q177 HydrophobicContact CE1-CB 4.07Å; Y126-Q177 HydrophobicContact CE1-CG 3.78Å; Y126-Q177 HydrophobicContact CE2-CB 4.11Å; Y126-Q177 HydrophobicContact CE2-CG 4.08Å; Y126-Q177 HydrophobicContact CG-CB 3.93Å; H173-Q177 PolarHBondContact CD2-NE2 3.38Å; H173-Q177 PolarHBondContact NE2-NE2 2.92Å; H173-Q177 WeakPolarHBondContact O-CG 3.19Å; H173-Q177 PolarHBondContact O-N 3.29Å; Y174-Q177 WeakPolarHBondContact O-CB 3.42Å; Y174-Q177 PolarHBondContact O-N 3.19Å; V175-Q177 VanDerWaalsContact C-N 3.32Å; V175-Q177 PolarHBondContact O-N 3.49Å; Q177-N180 PolarHBondContact O-N 3.16Å; Q177-A181 PolarHBondContact O-N 3.1Å; Q177-A181 VanDerWaalsContact O-N 3.07Å
178	L	97.8	Very high	96.8	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-45.3	173.1	178.8	61	0	0	0	112.1	Y174 V175 N180 A181 L182 L211 L213 V259 L262	Y174-L178 PolarHBondContact O-N 3.28Å; V175-L178 WeakPolarHBondContact O-CB 3.45Å; V175-L178 PolarHBondContact O-N 3.36Å; L178-N180 VanDerWaalsContact C-N 3.33Å; L178-N180 PolarHBondContact O-N 3.5Å; L178-A181 WeakPolarHBondContact O-CB 3.47Å; L178-A181 PolarHBondContact O-N 2.87Å; L178-L182 PolarHBondContact O-N 3.1Å; L178-L211 HydrophobicContact CB-CD2 4.04Å; L178-L211 HydrophobicContact CD1-CD2 4.39Å; L178-L213 HydrophobicContact CD1-CB 4.22Å; L178-L213 HydrophobicContact CD1-CD1 3.91Å; L178-L213 HydrophobicContact CD1-CD2 4.14Å; L178-L213 HydrophobicContact CD1-CG 4.32Å; L178-V259 HydrophobicContact CD2-CG1 4.41Å; L178-V259 HydrophobicContact CD2-CG2 4.05Å; L178-V259 HydrophobicContact CG-CG2 4.47Å; L178-L262 HydrophobicContact CD2-CD1 4.08Å; L178-L262 HydrophobicContact CD2-CD2 4.27Å
179	L	98.4	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-37.6	177	-70.3	173.3	0	0	0	112.2	V175 R176 A181 L182 S183 M256 V259 F306 V321 A324 L325 I330	V175-L179 HydrophobicContact CG1-CD1 4.08Å; V175-L179 HydrophobicContact CG1-CG 4.24Å; V175-L179 VanDerWaalsContact O-CG 3.29Å; V175-L179 WeakPolarHBondContact O-CG 3.46Å; V175-L179 PolarHBondContact O-N 2.96Å; R176-L179 PolarHBondContact O-N 2.96Å; L179-A181 VanDerWaalsContact C-N 3.34Å; L179-L182 PolarHBondContact O-N 2.68Å; L179-S183 WeakPolarHBondContact O-CB 3.29Å; L179-S183 PolarHBondContact O-N 2.95Å; L179-M256 HydrophobicContact CD2-CE 3.74Å; L179-M256 HydrophobicContact CD2-SD 4.48Å; L179-V259 HydrophobicContact CD2-CG1 4.43Å; L179-F306 HydrophobicContact CD1-CZ 4.16Å; L179-V321 HydrophobicContact CB-CG2 4.31Å; L179-V321 HydrophobicContact CD2-CG2 3.98Å; L179-V321 WeakPolarHBondContact O-CG2 3.36Å; L179-A324 HydrophobicContact CD1-CB 3.84Å; L179-A324 HydrophobicContact CD2-CB 3.82Å; L179-A324 HydrophobicContact CG-CB 4.49Å; L179-L325 HydrophobicContact CB-CD2 3.57Å; L179-L325 HydrophobicContact CB-CG 3.95Å; L179-L325 HydrophobicContact CD1-CD2 4.17Å; L179-L325 HydrophobicContact CD1-CG 4.42Å; L179-I330 HydrophobicContact CD1-CD1 4.43Å; L179-I330 HydrophobicContact CD1-CG1 4.24Å; L179-I330 HydrophobicContact CD1-CG2 4.41Å
180	N	98.1	Very high	96.7	Very high	46 Å²	46	26.4 Å²	26.4	25%	0.246	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-40.4	173.6	-74.5	-29.1	0	0	0	111.6	Y126 R176 Q177 L178 S183 Y184 L325	Y126-N180 HydrophobicContact CD2-CB 3.9Å; Y126-N180 HydrophobicContact CE2-CB 4.18Å; R176-N180 VanDerWaalsContact O-CG 3.26Å; R176-N180 PolarHBondContact O-N 3.24Å; R176-N180 PolarHBondContact O-ND2 3.12Å; Q177-N180 PolarHBondContact O-N 3.16Å; L178-N180 VanDerWaalsContact C-N 3.33Å; L178-N180 PolarHBondContact O-N 3.5Å; N180-S183 PolarHBondContact O-N 2.91Å; N180-Y184 PolarHBondContact O-N 3.35Å; N180-Y184 VanDerWaalsContact O-N 3.15Å; N180-L325 WeakPolarHBondContact OD1-CD2 3.38Å
181	A	97.5	Very high	96.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.9	-44.3	172.7	0	0	0	0	0	111.9	Y126 I127 Q177 L178 L179 Y184 C185 L213	Y126-A181 WeakPolarHBondContact O-CB 3.36Å; I127-A181 HydrophobicContact CD1-CB 4.16Å; I127-A181 HydrophobicContact CG1-CB 3.71Å; Q177-A181 PolarHBondContact O-N 3.1Å; Q177-A181 VanDerWaalsContact O-N 3.07Å; L178-A181 WeakPolarHBondContact O-CB 3.47Å; L178-A181 PolarHBondContact O-N 2.87Å; L179-A181 VanDerWaalsContact C-N 3.34Å; A181-Y184 WeakPolarHBondContact O-CB 3.48Å; A181-Y184 PolarHBondContact O-N 3.47Å; A181-C185 PolarHBondContact O-N 3.04Å; A181-C185 VanDerWaalsContact O-N 3.13Å; A181-C185 PolarHBondContact O-SG 3.03Å; A181-C185 VanDerWaalsContact O-SG 3.39Å; A181-L213 HydrophobicContact CB-CB 4.38Å; A181-L213 HydrophobicContact CB-CD2 4.49Å
182	L	97.6	Very high	96.6	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-68.9	-36	178.2	-67.9	177.9	0	0	0	113.1	L178 L179 Y184 C185 V186 I195 L213 M256 V259 V321	L178-L182 PolarHBondContact O-N 3.1Å; L179-L182 PolarHBondContact O-N 2.68Å; L182-Y184 VanDerWaalsContact C-N 3.27Å; L182-Y184 PolarHBondContact O-N 3.25Å; L182-C185 WeakPolarHBondContact O-CB 3.47Å; L182-C185 PolarHBondContact O-N 3.09Å; L182-C185 VanDerWaalsContact O-N 3.15Å; L182-V186 VanDerWaalsContact O-CG2 3.31Å; L182-V186 WeakPolarHBondContact O-CG2 3.45Å; L182-V186 PolarHBondContact O-N 2.93Å; L182-I195 HydrophobicContact CD1-CD1 3.89Å; L182-I195 HydrophobicContact CD2-CD1 3.6Å; L182-I195 HydrophobicContact CG-CD1 4.34Å; L182-L213 HydrophobicContact CD2-CD2 3.91Å; L182-M256 HydrophobicContact CD1-SD 4.5Å; L182-V259 HydrophobicContact CD1-CG2 3.42Å; L182-V259 VanDerWaalsContact CD1-CG2 3.42Å; L182-V321 HydrophobicContact CB-CG2 3.91Å
183	S	97.5	Very high	96.4	Very high	25 Å²	25	26.6 Å²	26.6	18%	0.175	13%	0.127	C	C	.	.	H	α-helix	trans	-58.3	-44	172.9	-166.9	0	0	0	0	110.6	L179 N180 C185 V186 D187	L179-S183 WeakPolarHBondContact O-CB 3.29Å; L179-S183 PolarHBondContact O-N 2.95Å; N180-S183 PolarHBondContact O-N 2.91Å; S183-C185 VanDerWaalsContact C-N 3.32Å; S183-C185 PolarHBondContact O-N 2.82Å; S183-V186 PolarHBondContact O-N 3.17Å; S183-D187 VanDerWaalsContact O-CG 3.23Å; S183-D187 PolarHBondContact O-N 2.84Å
184	Y	97.3	Very high	96	Very high	36 Å²	36	24 Å²	24	14%	0.141	12%	0.115	C	C	.	.	H	α-helix	trans	-61.9	-37.1	176.1	179.4	-82.2	0	0	0	113	I122 K123 H124 I127 N180 A181 L182 R188	I122-Y184 HydrophobicContact CB-CE1 4.18Å; I122-Y184 HydrophobicContact CG1-CE1 4.3Å; I122-Y184 HydrophobicContact CG2-CD1 4.19Å; I122-Y184 HydrophobicContact CG2-CE1 3.72Å; K123-Y184 PolarHBondContact N-OH 2.85Å; K123-Y184 PolarHBondContact O-OH 2.89Å; H124-Y184 HydrophobicContact CB-CD1 4.08Å; H124-Y184 HydrophobicContact CB-CD2 4.19Å; H124-Y184 HydrophobicContact CB-CE1 4.3Å; H124-Y184 HydrophobicContact CB-CE2 4.33Å; H124-Y184 HydrophobicContact CB-CG 4.05Å; H124-Y184 AromaticContact CD2-CD2 3.52Å; H124-Y184 AromaticContact CD2-CG 3.73Å; H124-Y184 AromaticContact CG-CG 3.98Å; I127-Y184 HydrophobicContact CD1-CD1 4.11Å; N180-Y184 PolarHBondContact O-N 3.35Å; N180-Y184 VanDerWaalsContact O-N 3.15Å; A181-Y184 WeakPolarHBondContact O-CB 3.48Å; A181-Y184 PolarHBondContact O-N 3.47Å; L182-Y184 VanDerWaalsContact C-N 3.27Å; L182-Y184 PolarHBondContact O-N 3.25Å; Y184-R188 VanDerWaalsContact CD2-NH1 3.28Å; Y184-R188 VanDerWaalsContact CZ-NH1 3.33Å; Y184-R188 PolarHBondContact O-NH1 3.37Å; Y184-R188 PolarHBondContact OH-NE 3.31Å; Y184-R188 PolarHBondContact OH-NH2 2.9Å
185	C	96.5	Very high	95.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	11%	0.114	C	C	.	.	H	α-helix	trans	-68	-45.4	174.6	-67.9	0	0	0	0	111.9	A181 L182 S183 D187 R188 D189 I190	A181-C185 PolarHBondContact O-N 3.04Å; A181-C185 VanDerWaalsContact O-N 3.13Å; A181-C185 PolarHBondContact O-SG 3.03Å; A181-C185 VanDerWaalsContact O-SG 3.39Å; L182-C185 WeakPolarHBondContact O-CB 3.47Å; L182-C185 PolarHBondContact O-N 3.09Å; L182-C185 VanDerWaalsContact O-N 3.15Å; S183-C185 VanDerWaalsContact C-N 3.32Å; S183-C185 PolarHBondContact O-N 2.82Å; C185-D187 VanDerWaalsContact C-N 3.33Å; C185-D187 PolarHBondContact O-N 3.38Å; C185-R188 CarbonylContact O-C 3.55Å; C185-R188 WeakPolarHBondContact O-CA 3.27Å; C185-R188 PolarHBondContact O-N 3.02Å; C185-D189 PolarHBondContact O-N 3.45Å; C185-I190 HydrophobicContact CB-CB 4.16Å; C185-I190 HydrophobicContact CB-CG2 4.45Å; C185-I190 PolarHBondContact O-N 3.5Å
186	V	95.4	Very high	95.2	Very high	38 Å²	38	24.6 Å²	24.6	23%	0.23	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-42.9	177.8	171.6	0	0	0	0	110.8	L182 S183 R188 D189 F252 V321	L182-V186 VanDerWaalsContact O-CG2 3.31Å; L182-V186 WeakPolarHBondContact O-CG2 3.45Å; L182-V186 PolarHBondContact O-N 2.93Å; S183-V186 PolarHBondContact O-N 3.17Å; V186-R188 PolarHBondContact O-N 3.23Å; V186-D189 PolarHBondContact O-N 3.49Å; V186-F252 HydrophobicContact CB-CD1 4.49Å; V186-F252 HydrophobicContact CG2-CB 4.19Å; V186-F252 HydrophobicContact CG2-CD1 3.87Å; V186-F252 HydrophobicContact CG2-CG 4.07Å; V186-V321 HydrophobicContact CG2-CG1 4.31Å
187	D	95	Very high	94.7	Very high	120 Å²	120	21.6 Å²	21.6	64%	0.642	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.3	176.4	-67.9	-17	0	0	0	113.8	S183 C185	S183-D187 VanDerWaalsContact O-CG 3.23Å; S183-D187 PolarHBondContact O-N 2.84Å; C185-D187 VanDerWaalsContact C-N 3.33Å; C185-D187 PolarHBondContact O-N 3.38Å
188	R	94.9	Very high	94	Very high	85 Å²	85	22.8 Å²	22.8	32%	0.321	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	11	178	-76.8	169.4	-177.7	66.5	5.3	113.3	Y184 C185 V186 I190 Q221	Y184-R188 VanDerWaalsContact CD2-NH1 3.28Å; Y184-R188 VanDerWaalsContact CZ-NH1 3.33Å; Y184-R188 PolarHBondContact O-NH1 3.37Å; Y184-R188 PolarHBondContact OH-NE 3.31Å; Y184-R188 PolarHBondContact OH-NH2 2.9Å; C185-R188 CarbonylContact O-C 3.55Å; C185-R188 WeakPolarHBondContact O-CA 3.27Å; C185-R188 PolarHBondContact O-N 3.02Å; V186-R188 PolarHBondContact O-N 3.23Å; R188-I190 VanDerWaalsContact C-N 3.25Å; R188-I190 HydrophobicContact CB-CD1 3.73Å; R188-I190 HydrophobicContact CB-CG1 4.17Å; R188-I190 PolarHBondContact O-N 3.31Å; R188-Q221 PolarHBondContact O-NE2 3.08Å
189	D	96	Very high	93.6	Very high	32 Å²	32	22.7 Å²	22.7	17%	0.171	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	28.9	-178.8	-56.7	-53.7	0	0	0	114	C185 V186 Q221 L222 S225 F252	C185-D189 PolarHBondContact O-N 3.45Å; V186-D189 PolarHBondContact O-N 3.49Å; D189-Q221 CarbonylContact O-C 3.42Å; D189-Q221 WeakPolarHBondContact O-CA 3.34Å; D189-L222 HydrophobicContact CB-CB 4.19Å; D189-L222 PolarHBondContact O-N 3.16Å; D189-S225 WeakPolarHBondContact OD1-CA 3.45Å; D189-S225 VanDerWaalsContact OD1-CB 3.23Å; D189-S225 WeakPolarHBondContact OD1-CB 3.4Å; D189-S225 PolarHBondContact OD1-N 3.22Å; D189-S225 PolarHBondContact OD1-OG 3.3Å; D189-F252 HydrophobicContact CB-CZ 4.4Å
190	I	95.5	Very high	93.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.9	-177.8	-62.2	161.1	0	0	0	110.4	I118 I122 C185 R188 F216 A219 V220 Q221	I118-I190 HydrophobicContact CG2-CD1 4.19Å; I118-I190 HydrophobicContact CG2-CG2 3.93Å; I122-I190 HydrophobicContact CD1-CD1 3.77Å; I122-I190 HydrophobicContact CD1-CG2 4.4Å; I122-I190 HydrophobicContact CG1-CD1 3.71Å; C185-I190 HydrophobicContact CB-CB 4.16Å; C185-I190 HydrophobicContact CB-CG2 4.45Å; C185-I190 PolarHBondContact O-N 3.5Å; R188-I190 VanDerWaalsContact C-N 3.25Å; R188-I190 HydrophobicContact CB-CD1 3.73Å; R188-I190 HydrophobicContact CB-CG1 4.17Å; R188-I190 PolarHBondContact O-N 3.31Å; I190-F216 HydrophobicContact CG2-CE1 4.42Å; I190-A219 HydrophobicContact CG2-CB 4.46Å; I190-V220 WeakPolarHBondContact CA-O 3.38Å; I190-Q221 HydrophobicContact CG1-CB 4.35Å; I190-Q221 HydrophobicContact CG1-CG 4.17Å
191	I	95.1	Very high	93	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.7	170.4	-48.6	171.7	0	0	0	108.2	R193 A219 V220 L222 F252 V254 D255	I191-R193 HydrophobicContact CB-CG 4.06Å; I191-R193 HydrophobicContact CG2-CG 3.51Å; I191-A219 CarbonylContact O-C 3.6Å; I191-A219 WeakPolarHBondContact O-CA 3.37Å; I191-A219 WeakPolarHBondContact O-CB 3.26Å; I191-V220 HydrophobicContact CB-CG2 4.05Å; I191-V220 HydrophobicContact CD1-CG2 4.39Å; I191-V220 PolarHBondContact N-O 3.35Å; I191-V220 PolarHBondContact O-N 2.97Å; I191-L222 HydrophobicContact CD1-CD1 3.82Å; I191-L222 HydrophobicContact CD1-CD2 3.9Å; I191-L222 HydrophobicContact CD1-CG 3.81Å; I191-L222 HydrophobicContact CG1-CD1 4.32Å; I191-L222 HydrophobicContact CG1-CG 4.25Å; I191-F252 HydrophobicContact CG1-CD1 3.57Å; I191-F252 HydrophobicContact CG1-CE1 3.78Å; I191-F252 HydrophobicContact CG1-CG 4.29Å; I191-V254 HydrophobicContact CG2-CG2 3.64Å; I191-D255 WeakPolarHBondContact CG2-OD2 3.47Å
192	H	94.1	Very high	92.7	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.101	C	C	.	.			trans	-76.8	-41.9	-179.8	-170.3	-77	0	0	0	112.7	D194 I195 G214 G215 F216 L218 A219 D255	H192-D194 PolarHBondContact CE1-O 2.94Å; H192-D194 VanDerWaalsContact CE1-O 3.26Å; H192-D194 VanDerWaalsContact ND1-C 3.31Å; H192-D194 PolarHBondContact ND1-N 3.42Å; H192-D194 PolarHBondContact ND1-O 2.97Å; H192-D194 PolarHBondContact O-N 3.4Å; H192-I195 HydrophobicContact CB-CD1 4.15Å; H192-I195 HydrophobicContact CB-CG1 3.77Å; H192-I195 WeakPolarHBondContact ND1-CG1 3.4Å; H192-I195 PolarHBondContact ND1-N 3.49Å; H192-G214 PolarHBondContact NE2-O 3.07Å; H192-G214 VanDerWaalsContact NE2-O 3.07Å; H192-G215 PolarHBondContact CE1-O 3.31Å; H192-G215 PolarHBondContact NE2-O 3.21Å; H192-F216 AromaticContact CD2-CD1 3.84Å; H192-F216 AromaticContact CD2-CD2 3.95Å; H192-F216 AromaticContact CD2-CE1 3.77Å; H192-F216 AromaticContact CD2-CE2 3.86Å; H192-F216 AromaticContact CD2-CG 3.93Å; H192-F216 AromaticContact CD2-CZ 3.78Å; H192-F216 AromaticContact NE2-CD2 3.88Å; H192-L218 CarbonylContact O-C 3.41Å; H192-A219 PolarHBondContact O-N 2.99Å; H192-D255 PolarHBondContact N-OD1 3.11Å; H192-D255 PolarHBondContact N-OD2 3.38Å
193	R	92.5	Very high	92.3	Very high	24 Å²	24	21.5 Å²	21.5	9%	0.091	11%	0.108	C	C	.	.	S	Bend	trans	67.3	-11.6	176.2	-55.9	-165.7	-63.1	165.7	2.1	117.8	I191 L218 V220 V234 Y250 D255	I191-R193 HydrophobicContact CB-CG 4.06Å; I191-R193 HydrophobicContact CG2-CG 3.51Å; R193-L218 HydrophobicContact CB-CB 4.45Å; R193-L218 PolarHBondContact NE-O 3.18Å; R193-L218 PolarHBondContact NH2-O 3.07Å; R193-V220 HydrophobicContact CG-CG2 4.3Å; R193-V234 HydrophobicContact CB-CG2 4.45Å; R193-Y250 WeakPolarHBondContact CD-OH 3.34Å; R193-Y250 HydrophobicContact CG-CE2 4.19Å; R193-Y250 PolarHBondContact NH1-OH 3.07Å; R193-D255 PolarHBondContact N-OD1 3.33Å
194	D	87.4	Confident	91.9	Very high	6 Å²	6	22 Å²	22	3%	0.032	11%	0.109	C	C	.	.			trans	-145.6	56.3	176	-170.4	47.7	0	0	0	112.8	H192 R196 H217 L218 G235 T236	H192-D194 PolarHBondContact CE1-O 2.94Å; H192-D194 VanDerWaalsContact CE1-O 3.26Å; H192-D194 VanDerWaalsContact ND1-C 3.31Å; H192-D194 PolarHBondContact ND1-N 3.42Å; H192-D194 PolarHBondContact ND1-O 2.97Å; H192-D194 PolarHBondContact O-N 3.4Å; D194-R196 PolarHBondContact O-N 3.29Å; D194-R196 WeakPolarHBondContact OD1-CG 3.49Å; D194-R196 WeakPolarHBondContact OD2-CD 3.46Å; D194-R196 IonicContact OD2-NE 3.51Å; D194-R196 PolarHBondContact OD2-NE 3.47Å; D194-R196 VanDerWaalsContact OD2-NE 3.1Å; D194-H217 IonicContact OD2-CE1 2.64Å; D194-H217 PolarHBondContact OD2-CE1 3.25Å; D194-H217 IonicContact OD2-NE2 3.71Å; D194-H217 PolarHBondContact OD2-NE2 3.44Å; D194-L218 HydrophobicContact CB-CB 4.25Å; D194-L218 HydrophobicContact CB-CD1 3.7Å; D194-L218 HydrophobicContact CB-CG 4.46Å; D194-G235 VanDerWaalsContact OD1-CA 3.26Å; D194-G235 WeakPolarHBondContact OD1-CA 3.49Å; D194-T236 PolarHBondContact OD1-N 3.02Å; D194-T236 PolarHBondContact OD1-OG1 3.46Å; D194-T236 VanDerWaalsContact OD1-OG1 3.07Å
195	I	92.7	Very high	91.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.124	C	C	.	.			trans	-72.4	95.9	176.1	-58.8	175.1	0	0	0	108.4	L182 H192 L213 Q239 D255 V259	L182-I195 HydrophobicContact CD1-CD1 3.89Å; L182-I195 HydrophobicContact CD2-CD1 3.6Å; L182-I195 HydrophobicContact CG-CD1 4.34Å; H192-I195 HydrophobicContact CB-CD1 4.15Å; H192-I195 HydrophobicContact CB-CG1 3.77Å; H192-I195 WeakPolarHBondContact ND1-CG1 3.4Å; H192-I195 PolarHBondContact ND1-N 3.49Å; I195-L213 HydrophobicContact CG2-CD1 4.28Å; I195-Q239 PolarHBondContact O-NE2 2.92Å; I195-D255 HydrophobicContact CD1-CB 3.62Å; I195-V259 HydrophobicContact CD1-CG2 4.33Å
196	R	85.5	Confident	90.7	Very high	22 Å²	22	28.9 Å²	28.9	8%	0.083	15%	0.145	C	C	.	.			trans	-92.2	163.7	178.6	-60.7	175.3	-59.4	137.7	15.1	111.7	F77 D194 E198 C199 T236 Q239	F77-R196 VanDerWaalsContact N-NH2 3.14Å; F77-R196 PolarHBondContact O-NH2 3.3Å; D194-R196 PolarHBondContact O-N 3.29Å; D194-R196 WeakPolarHBondContact OD1-CG 3.49Å; D194-R196 WeakPolarHBondContact OD2-CD 3.46Å; D194-R196 IonicContact OD2-NE 3.51Å; D194-R196 PolarHBondContact OD2-NE 3.47Å; D194-R196 VanDerWaalsContact OD2-NE 3.1Å; R196-E198 IonicContact CZ-OE2 3.62Å; R196-E198 VanDerWaalsContact CZ-OE2 3.24Å; R196-E198 IonicContact NH1-OE2 3.55Å; R196-E198 PolarHBondContact NH1-OE2 2.88Å; R196-E198 IonicContact NH2-OE2 3.36Å; R196-E198 PolarHBondContact NH2-OE2 3.23Å; R196-E198 PolarHBondContact O-N 2.8Å; R196-C199 VanDerWaalsContact O-CB 3.28Å; R196-C199 WeakPolarHBondContact O-CB 3.46Å; R196-C199 PolarHBondContact O-N 3.07Å; R196-T236 WeakPolarHBondContact CD-OG1 3.26Å; R196-T236 WeakPolarHBondContact CG-OG1 3.08Å; R196-Q239 VanDerWaalsContact CA-OE1 3.26Å
197	L	86.7	Confident	90.2	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.031	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-55.9	-36.9	170.9	-58.5	176.2	0	0	0	111.4	C199 A200 L262 V265 F271 F352	L197-C199 PolarHBondContact O-N 3.18Å; L197-A200 PolarHBondContact O-N 3.33Å; L197-L262 HydrophobicContact CD2-CB 4.07Å; L197-L262 HydrophobicContact CD2-CD1 4.47Å; L197-L262 HydrophobicContact CD2-CG 3.9Å; L197-V265 HydrophobicContact CD1-CB 4.45Å; L197-V265 HydrophobicContact CD1-CG1 3.9Å; L197-V265 HydrophobicContact CD1-CG2 4.34Å; L197-V265 HydrophobicContact CD2-CB 4.1Å; L197-V265 HydrophobicContact CD2-CG1 4.2Å; L197-V265 HydrophobicContact CD2-CG2 4.35Å; L197-F271 HydrophobicContact CD1-CE1 4.19Å; L197-F271 HydrophobicContact CD1-CE2 4.22Å; L197-F271 HydrophobicContact CD1-CZ 3.59Å; L197-F271 HydrophobicContact CG-CZ 4.36Å; L197-F352 HydrophobicContact CD1-CE1 3.68Å; L197-F352 HydrophobicContact CD1-CE2 4.48Å; L197-F352 HydrophobicContact CD1-CZ 3.4Å
198	E	82.4	Confident	89.8	Confident	30 Å²	30	30.6 Å²	30.6	14%	0.14	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-67.4	-17.2	177.4	-52.8	179.7	154.2	0	0	113.7	R196 I201 R356 R360	R196-E198 IonicContact CZ-OE2 3.62Å; R196-E198 VanDerWaalsContact CZ-OE2 3.24Å; R196-E198 IonicContact NH1-OE2 3.55Å; R196-E198 PolarHBondContact NH1-OE2 2.88Å; R196-E198 IonicContact NH2-OE2 3.36Å; R196-E198 PolarHBondContact NH2-OE2 3.23Å; R196-E198 PolarHBondContact O-N 2.8Å; E198-I201 WeakPolarHBondContact O-CG1 3.3Å; E198-R356 IonicContact OE1-NE 3.48Å; E198-R360 VanDerWaalsContact CD-NH2 3.27Å; E198-R360 IonicContact OE1-CZ 3.55Å; E198-R360 VanDerWaalsContact OE1-CZ 3.28Å; E198-R360 IonicContact OE1-NE 3.48Å; E198-R360 PolarHBondContact OE1-NE 3.46Å; E198-R360 IonicContact OE1-NH2 2.83Å; E198-R360 PolarHBondContact OE1-NH2 3.45Å
199	C	89.1	Confident	89.6	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-81.6	-15.6	-179.9	-68.6	0	0	0	0	112.8	R196 L197 L213 G214	R196-C199 VanDerWaalsContact O-CB 3.28Å; R196-C199 WeakPolarHBondContact O-CB 3.46Å; R196-C199 PolarHBondContact O-N 3.07Å; L197-C199 PolarHBondContact O-N 3.18Å; C199-L213 HydrophobicContact CB-CD1 3.94Å; C199-L213 CarbonylContact O-C 3.55Å; C199-L213 WeakPolarHBondContact O-CA 3.44Å; C199-G214 WeakPolarHBondContact CB-O 3Å; C199-G214 PolarHBondContact O-N 3.08Å; C199-G214 PolarHBondContact SG-O 2.91Å
200	A	92	Very high	89.6	Confident	2 Å²	2	27 Å²	27	2%	0.017	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	93.1	-178.7	0	0	0	0	0	110.7	D151 L152 L197 L211 L262	D151-A200 CarbonylContact C-O 3.57Å; D151-A200 VanDerWaalsContact CA-O 3.27Å; D151-A200 WeakPolarHBondContact CA-O 3.26Å; L152-A200 PolarHBondContact N-O 3.42Å; L197-A200 PolarHBondContact O-N 3.33Å; A200-L211 HydrophobicContact CB-CD1 3.89Å; A200-L211 HydrophobicContact CB-CG 4.3Å; A200-L262 HydrophobicContact CB-CD1 4.05Å
201	I	91.8	Very high	89.6	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.4	-168	-60.1	169.7	0	0	0	110.9	I79 I128 M147 D151 E198 L211 K212	I79-I201 HydrophobicContact CB-CD1 3.92Å; I79-I201 HydrophobicContact CD1-CD1 3.42Å; I79-I201 VanDerWaalsContact CD1-CD1 3.42Å; I79-I201 HydrophobicContact CG1-CD1 3.93Å; I128-I201 HydrophobicContact CD1-CB 4.36Å; I128-I201 HydrophobicContact CD1-CD1 3.87Å; M147-I201 HydrophobicContact CB-CG2 3.79Å; M147-I201 HydrophobicContact CE-CB 4.12Å; M147-I201 HydrophobicContact CE-CG2 3.77Å; M147-I201 HydrophobicContact CG-CG2 4.06Å; D151-I201 HydrophobicContact CB-CG1 4.36Å; E198-I201 WeakPolarHBondContact O-CG1 3.3Å; I201-L211 CarbonylContact O-C 3.58Å; I201-L211 WeakPolarHBondContact O-CA 3.48Å; I201-K212 PolarHBondContact N-O 3.08Å; I201-K212 PolarHBondContact O-N 3.5Å
202	L	92.3	Very high	89.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.7	174.7	-62.3	-171.9	0	0	0	110.7	G149 R150 L152 E155 Y174 N204 A209 L211	G149-L202 CarbonylContact C-O 3.55Å; G149-L202 VanDerWaalsContact CA-O 3.27Å; G149-L202 WeakPolarHBondContact CA-O 3.15Å; G149-L202 PolarHBondContact N-O 2.99Å; R150-L202 PolarHBondContact O-N 2.89Å; L152-L202 HydrophobicContact CD1-CD1 4.2Å; L152-L202 HydrophobicContact CD1-CD2 4.18Å; L152-L202 HydrophobicContact CD1-CG 4.39Å; E155-L202 HydrophobicContact CB-CD1 3.66Å; E155-L202 HydrophobicContact CB-CG 4.46Å; E155-L202 HydrophobicContact CG-CB 4.38Å; E155-L202 HydrophobicContact CG-CD1 3.71Å; E155-L202 HydrophobicContact CG-CG 4.16Å; Y174-L202 HydrophobicContact CD1-CD2 4.14Å; Y174-L202 HydrophobicContact CE1-CD2 3.6Å; L202-N204 PolarHBondContact O-N 2.82Å; L202-A209 HydrophobicContact CB-CB 4.12Å; L202-L211 HydrophobicContact CD2-CB 4.07Å
203	A	89.1	Confident	89.7	Confident	20 Å²	20	28.4 Å²	28.4	17%	0.165	16%	0.156	C	C	.	.	S	Bend	trans	-60.1	-32.5	-176.9	0	0	0	0	0	113.6	M147 E148 P210	M147-A203 HydrophobicContact CE-CB 4.07Å; E148-A203 PolarHBondContact N-O 3.42Å; A203-P210 HydrophobicContact CB-CG 3.82Å; A203-P210 PolarHBondContact N-O 3.29Å
204	N	87.8	Confident	89.6	Confident	37 Å²	37	27.3 Å²	27.3	20%	0.198	15%	0.153	C	C	.	.	S	Bend	trans	-155.8	-179.9	178	64.9	29.9	0	0	0	111.9	E148 R159 L202 E206 A209	E148-N204 HydrophobicContact CB-CB 4.12Å; E148-N204 WeakPolarHBondContact OE2-CB 3.39Å; R159-N204 PolarHBondContact NH2-O 3.34Å; R159-N204 VanDerWaalsContact NH2-O 3.13Å; L202-N204 PolarHBondContact O-N 2.82Å; N204-E206 PolarHBondContact O-N 3.14Å; N204-E206 VanDerWaalsContact OD1-CB 3.29Å; N204-E206 WeakPolarHBondContact OD1-CB 3.45Å; N204-E206 PolarHBondContact OD1-N 2.94Å; N204-A209 WeakPolarHBondContact O-CB 3.16Å; N204-A209 WeakPolarHBondContact OD1-CB 3.49Å
205	N	83.9	Confident	89.4	Confident	87 Å²	87	27.1 Å²	27.1	47%	0.465	15%	0.152	S	C	.	.	S	Bend	trans	-82.2	5.2	-176	-61.1	-14.7	0	0	0	113.5	E148 G149	E148-N205 PolarHBondContact O-OD1 3.36Å; G149-N205 WeakPolarHBondContact CA-OD1 3.45Å
206	E	86.6	Confident	89.2	Confident	94 Å²	94	27.2 Å²	27.2	44%	0.439	15%	0.152	S	C	.	.	S	Bend	trans	-78.1	146.2	179.3	-58	-177.7	161.2	0	0	111.1	R159 N204 S208 A209	R159-E206 VanDerWaalsContact CZ-O 3.26Å; R159-E206 PolarHBondContact NH1-O 3.13Å; R159-E206 PolarHBondContact NH2-O 3.42Å; R159-E206 VanDerWaalsContact NH2-O 3.07Å; N204-E206 PolarHBondContact O-N 3.14Å; N204-E206 VanDerWaalsContact OD1-CB 3.29Å; N204-E206 WeakPolarHBondContact OD1-CB 3.45Å; N204-E206 PolarHBondContact OD1-N 2.94Å; E206-S208 PolarHBondContact O-N 3.44Å; E206-S208 VanDerWaalsContact O-N 3.08Å; E206-A209 WeakPolarHBondContact O-CB 3.35Å; E206-A209 PolarHBondContact O-N 3.44Å
207	N	83.8	Confident	88.7	Confident	97 Å²	97	27.5 Å²	27.5	52%	0.519	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.7	178.4	-74.9	-21.7	0	0	0	113.5	R159 F164	R159-N207 PolarHBondContact NH1-O 2.88Å; F164-N207 HydrophobicContact CD2-CB 4.21Å; F164-N207 HydrophobicContact CE2-CB 4.07Å
208	S	86.9	Confident	88.6	Confident	96 Å²	96	28.7 Å²	28.7	67%	0.671	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	7	176.9	51.2	0	0	0	0	114.3	E206	E206-S208 PolarHBondContact O-N 3.44Å; E206-S208 VanDerWaalsContact O-N 3.08Å
209	A	91.3	Very high	89	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.008	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-53	131.1	-178.3	0	0	0	0	0	111.6	L202 N204 E206	L202-A209 HydrophobicContact CB-CB 4.12Å; N204-A209 WeakPolarHBondContact O-CB 3.16Å; N204-A209 WeakPolarHBondContact OD1-CB 3.49Å; E206-A209 WeakPolarHBondContact O-CB 3.35Å; E206-A209 PolarHBondContact O-N 3.44Å
210	P	94.8	Very high	89.2	Confident	42 Å²	42	27.8 Å²	27.8	27%	0.273	16%	0.157	S	C	.	.	P	Polyproline II helix	trans	-70	142.3	171.5	29.1	-33.6	0	0	0	110.5	Y126 A203	Y126-P210 HydrophobicContact CD1-CB 4.09Å; Y126-P210 HydrophobicContact CE1-CB 3.88Å; A203-P210 HydrophobicContact CB-CG 3.82Å; A203-P210 PolarHBondContact N-O 3.29Å
211	L	95.9	Very high	89.3	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	133.4	164.4	178.6	155.7	0	0	0	109.1	Y126 L152 Y174 L178 A200 I201 L202	Y126-L211 WeakPolarHBondContact CD1-O 3.3Å; L152-L211 HydrophobicContact CD2-CD1 3.92Å; Y174-L211 HydrophobicContact CD1-CB 3.93Å; Y174-L211 HydrophobicContact CD1-CD1 4.49Å; L178-L211 HydrophobicContact CB-CD2 4.04Å; L178-L211 HydrophobicContact CD1-CD2 4.39Å; A200-L211 HydrophobicContact CB-CD1 3.89Å; A200-L211 HydrophobicContact CB-CG 4.3Å; I201-L211 CarbonylContact O-C 3.58Å; I201-L211 WeakPolarHBondContact O-CA 3.48Å; L202-L211 HydrophobicContact CD2-CB 4.07Å
212	K	95.2	Very high	89.3	Confident	27 Å²	27	32.7 Å²	32.7	12%	0.117	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.7	170.3	-57	-165.9	175.6	-169.8	0	110.6	P125 Y126 I128 E145 M147 I201	P125-K212 VanDerWaalsContact O-CE 3.26Å; P125-K212 WeakPolarHBondContact O-CE 3.25Å; Y126-K212 CarbonylContact O-C 3.57Å; Y126-K212 WeakPolarHBondContact O-CA 3.27Å; I128-K212 HydrophobicContact CG1-CB 3.74Å; E145-K212 WeakPolarHBondContact OE1-CD 3.32Å; E145-K212 IonicContact OE1-NZ 3.37Å; E145-K212 PolarHBondContact OE1-NZ 3.29Å; E145-K212 IonicContact OE2-NZ 2.71Å; E145-K212 PolarHBondContact OE2-NZ 2.86Å; M147-K212 HydrophobicContact CE-CB 3.64Å; M147-K212 HydrophobicContact CE-CD 3.78Å; M147-K212 HydrophobicContact CE-CG 3.78Å; M147-K212 HydrophobicContact SD-CD 3.89Å; I201-K212 PolarHBondContact N-O 3.08Å; I201-K212 PolarHBondContact O-N 3.5Å
213	L	95.3	Very high	89.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.8	175.1	179.6	62.7	0	0	0	110.3	Y126 I127 I128 L178 A181 L182 I195 C199 F216	Y126-L213 PolarHBondContact O-N 3.23Å; I127-L213 WeakPolarHBondContact CA-O 3.45Å; I128-L213 PolarHBondContact N-O 2.69Å; L178-L213 HydrophobicContact CD1-CB 4.22Å; L178-L213 HydrophobicContact CD1-CD1 3.91Å; L178-L213 HydrophobicContact CD1-CD2 4.14Å; L178-L213 HydrophobicContact CD1-CG 4.32Å; A181-L213 HydrophobicContact CB-CB 4.38Å; A181-L213 HydrophobicContact CB-CD2 4.49Å; L182-L213 HydrophobicContact CD2-CD2 3.91Å; I195-L213 HydrophobicContact CG2-CD1 4.28Å; C199-L213 HydrophobicContact CB-CD1 3.94Å; C199-L213 CarbonylContact O-C 3.55Å; C199-L213 WeakPolarHBondContact O-CA 3.44Å; L213-F216 HydrophobicContact CD2-CE2 4.43Å; L213-F216 HydrophobicContact CD2-CZ 4.15Å; L213-F216 HydrophobicContact CG-CE2 4.19Å; L213-F216 HydrophobicContact CG-CZ 4.41Å
214	G	90.6	Very high	89.3	Confident	2 Å²	2	40.7 Å²	40.7	2%	0.021	23%	0.227	C	C	.	.			trans	-121.8	-176.4	171	0	0	0	0	0	113	H192 C199	H192-G214 PolarHBondContact NE2-O 3.07Å; H192-G214 VanDerWaalsContact NE2-O 3.07Å; C199-G214 WeakPolarHBondContact CB-O 3Å; C199-G214 PolarHBondContact O-N 3.08Å; C199-G214 PolarHBondContact SG-O 2.91Å
215	G	83.5	Confident	89.3	Confident	2 Å²	2	42.5 Å²	42.5	2%	0.021	24%	0.242	C	C	.	.			trans	86.5	38.2	171.4	0	0	0	0	0	116.5	H192 H217	H192-G215 PolarHBondContact CE1-O 3.31Å; H192-G215 PolarHBondContact NE2-O 3.21Å; G215-H217 PolarHBondContact O-N 3.21Å; G215-H217 PolarHBondContact O-ND1 3.03Å
216	F	88.5	Confident	89.5	Confident	3 Å²	3	43.2 Å²	43.2	1%	0.013	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-74.4	13.1	-177.9	-75.3	-102.8	0	0	0	115.7	E115 I118 L119 I122 I127 I190 H192 L213 L218 A219	E115-F216 HydrophobicContact CG-CB 4.47Å; I118-F216 HydrophobicContact CG2-CD1 4.1Å; L119-F216 HydrophobicContact CD2-CB 3.93Å; L119-F216 HydrophobicContact CD2-CD2 3.85Å; L119-F216 HydrophobicContact CD2-CG 3.91Å; L119-F216 HydrophobicContact CG-CB 4.16Å; I122-F216 HydrophobicContact CD1-CD1 4.02Å; I122-F216 HydrophobicContact CD1-CE1 3.57Å; I122-F216 HydrophobicContact CD1-CZ 4.14Å; I127-F216 HydrophobicContact CD1-CZ 4.25Å; I127-F216 HydrophobicContact CG2-CE2 3.65Å; I127-F216 HydrophobicContact CG2-CZ 3.89Å; I190-F216 HydrophobicContact CG2-CE1 4.42Å; H192-F216 AromaticContact CD2-CD1 3.84Å; H192-F216 AromaticContact CD2-CD2 3.95Å; H192-F216 AromaticContact CD2-CE1 3.77Å; H192-F216 AromaticContact CD2-CE2 3.86Å; H192-F216 AromaticContact CD2-CG 3.93Å; H192-F216 AromaticContact CD2-CZ 3.78Å; H192-F216 AromaticContact NE2-CD2 3.88Å; L213-F216 HydrophobicContact CD2-CE2 4.43Å; L213-F216 HydrophobicContact CD2-CZ 4.15Å; L213-F216 HydrophobicContact CG-CE2 4.19Å; L213-F216 HydrophobicContact CG-CZ 4.41Å; F216-L218 PolarHBondContact O-N 2.82Å; F216-L218 VanDerWaalsContact O-N 3.15Å; F216-A219 HydrophobicContact CB-CB 3.96Å; F216-A219 HydrophobicContact CD1-CB 3.7Å; F216-A219 HydrophobicContact CG-CB 4.29Å; F216-A219 WeakPolarHBondContact O-CB 3.24Å; F216-A219 PolarHBondContact O-N 3.49Å
217	H	75.2	Confident	89.7	Confident	27 Å²	27	39.7 Å²	39.7	13%	0.125	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-56.8	-29	-178.3	66.3	-60.7	0	0	0	115.6	E115 D194 G215	E115-H217 VanDerWaalsContact OE1-CA 3.29Å; E115-H217 WeakPolarHBondContact OE1-CA 3.5Å; E115-H217 PolarHBondContact OE1-N 2.71Å; E115-H217 VanDerWaalsContact OE1-N 3.12Å; D194-H217 IonicContact OD2-CE1 2.64Å; D194-H217 PolarHBondContact OD2-CE1 3.25Å; D194-H217 IonicContact OD2-NE2 3.71Å; D194-H217 PolarHBondContact OD2-NE2 3.44Å; G215-H217 PolarHBondContact O-N 3.21Å; G215-H217 PolarHBondContact O-ND1 3.03Å
218	L	84.8	Confident	90	Very high	31 Å²	31	42.3 Å²	42.3	16%	0.162	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-101.7	3.8	173.9	-69	175.6	0	0	0	112.8	H192 R193 D194 F216 V234	H192-L218 CarbonylContact O-C 3.41Å; R193-L218 HydrophobicContact CB-CB 4.45Å; R193-L218 PolarHBondContact NE-O 3.18Å; R193-L218 PolarHBondContact NH2-O 3.07Å; D194-L218 HydrophobicContact CB-CB 4.25Å; D194-L218 HydrophobicContact CB-CD1 3.7Å; D194-L218 HydrophobicContact CB-CG 4.46Å; F216-L218 PolarHBondContact O-N 2.82Å; F216-L218 VanDerWaalsContact O-N 3.15Å; L218-V234 HydrophobicContact CD1-CB 4.38Å
219	A	91	Very high	90.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.			trans	-65.2	149.4	-177	0	0	0	0	0	112	R114 I118 I190 I191 H192 F216	R114-A219 PolarHBondContact NE-O 3.15Å; I118-A219 VanDerWaalsContact CD1-C 3.44Å; I118-A219 HydrophobicContact CD1-CB 3.84Å; I118-A219 VanDerWaalsContact CD1-O 3.32Å; I118-A219 WeakPolarHBondContact CD1-O 3Å; I118-A219 HydrophobicContact CG2-CB 4.26Å; I190-A219 HydrophobicContact CG2-CB 4.46Å; I191-A219 CarbonylContact O-C 3.6Å; I191-A219 WeakPolarHBondContact O-CA 3.37Å; I191-A219 WeakPolarHBondContact O-CB 3.26Å; H192-A219 PolarHBondContact O-N 2.99Å; F216-A219 HydrophobicContact CB-CB 3.96Å; F216-A219 HydrophobicContact CD1-CB 3.7Å; F216-A219 HydrophobicContact CG-CB 4.29Å; F216-A219 WeakPolarHBondContact O-CB 3.24Å; F216-A219 PolarHBondContact O-N 3.49Å
220	V	92.5	Very high	89.7	Confident	11 Å²	11	47.4 Å²	47.4	7%	0.067	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.6	176.6	-71.7	0	0	0	0	109.5	I190 I191 R193 I229	I190-V220 WeakPolarHBondContact CA-O 3.38Å; I191-V220 HydrophobicContact CB-CG2 4.05Å; I191-V220 HydrophobicContact CD1-CG2 4.39Å; I191-V220 PolarHBondContact N-O 3.35Å; I191-V220 PolarHBondContact O-N 2.97Å; R193-V220 HydrophobicContact CG-CG2 4.3Å; V220-I229 HydrophobicContact CB-CD1 4.28Å; V220-I229 HydrophobicContact CG1-CD1 3.99Å; V220-I229 HydrophobicContact CG2-CD1 3.94Å
221	Q	93.6	Very high	88.6	Confident	96 Å²	96	46.5 Å²	46.5	45%	0.449	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.8	169.1	-168.9	170.8	23.3	0	0	108.5	R188 D189 I190	R188-Q221 PolarHBondContact O-NE2 3.08Å; D189-Q221 CarbonylContact O-C 3.42Å; D189-Q221 WeakPolarHBondContact O-CA 3.34Å; I190-Q221 HydrophobicContact CG1-CB 4.35Å; I190-Q221 HydrophobicContact CG1-CG 4.17Å
222	L	92.7	Very high	87.7	Confident	12 Å²	12	49.4 Å²	49.4	6%	0.063	27%	0.274	C	S	.	.			trans	-74.7	154.5	173.6	-66.7	-177.4	0	0	0	110.4	D189 I191 D224 A227 I229 F252	D189-L222 HydrophobicContact CB-CB 4.19Å; D189-L222 PolarHBondContact O-N 3.16Å; I191-L222 HydrophobicContact CD1-CD1 3.82Å; I191-L222 HydrophobicContact CD1-CD2 3.9Å; I191-L222 HydrophobicContact CD1-CG 3.81Å; I191-L222 HydrophobicContact CG1-CD1 4.32Å; I191-L222 HydrophobicContact CG1-CG 4.25Å; L222-D224 VanDerWaalsContact C-N 3.27Å; L222-D224 WeakPolarHBondContact CB-O 3.47Å; L222-D224 PolarHBondContact O-N 2.78Å; L222-A227 HydrophobicContact CB-CB 4.27Å; L222-A227 HydrophobicContact CD1-CB 4.38Å; L222-A227 WeakPolarHBondContact CD1-O 3.38Å; L222-A227 HydrophobicContact CD2-CB 4.42Å; L222-I229 HydrophobicContact CD2-CB 4.33Å; L222-F252 HydrophobicContact CD1-CE1 4.25Å; L222-F252 HydrophobicContact CD1-CE2 3.9Å; L222-F252 HydrophobicContact CD1-CZ 3.67Å; L222-F252 HydrophobicContact CG-CZ 4.5Å
223	P	90.4	Very high	86.9	Confident	117 Å²	117	53.2 Å²	53.2	76%	0.76	29%	0.29	S	S	*	.	S	Bend	trans	-61.9	-34.4	172.5	-23.2	33.8	0	0	0	113.6
224	D	90.1	Very high	86.2	Confident	71 Å²	71	55 Å²	55	38%	0.38	30%	0.301	S	S	.	.	S	Bend	trans	-157.5	165.2	176.7	64.2	68.7	0	0	0	109.8	L222 S226 A227	L222-D224 VanDerWaalsContact C-N 3.27Å; L222-D224 WeakPolarHBondContact CB-O 3.47Å; L222-D224 PolarHBondContact O-N 2.78Å; D224-S226 PolarHBondContact O-N 3.41Å; D224-S226 VanDerWaalsContact O-N 3.12Å; D224-S226 VanDerWaalsContact OD1-CA 3.29Å; D224-S226 WeakPolarHBondContact OD1-CA 3.5Å; D224-S226 WeakPolarHBondContact OD1-CB 3.26Å; D224-S226 PolarHBondContact OD1-N 3.06Å; D224-S226 PolarHBondContact OD1-OG 2.93Å; D224-A227 WeakPolarHBondContact O-CB 3.48Å; D224-A227 PolarHBondContact O-N 3.03Å; D224-A227 VanDerWaalsContact O-N 3.14Å; D224-A227 PolarHBondContact OD1-N 3.34Å
225	S	89	Confident	85.3	Confident	75 Å²	75	56.1 Å²	56.1	52%	0.524	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.8	-175.6	-39.5	0	0	0	0	114.6	D189 F252	D189-S225 WeakPolarHBondContact OD1-CA 3.45Å; D189-S225 VanDerWaalsContact OD1-CB 3.23Å; D189-S225 WeakPolarHBondContact OD1-CB 3.4Å; D189-S225 PolarHBondContact OD1-N 3.22Å; D189-S225 PolarHBondContact OD1-OG 3.3Å; S225-F252 WeakPolarHBondContact O-CE2 3.21Å
226	S	88.8	Confident	85	Confident	101 Å²	101	58.2 Å²	58.2	71%	0.706	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-15	178.6	77.7	0	0	0	0	113	D224	D224-S226 PolarHBondContact O-N 3.41Å; D224-S226 VanDerWaalsContact O-N 3.12Å; D224-S226 VanDerWaalsContact OD1-CA 3.29Å; D224-S226 WeakPolarHBondContact OD1-CA 3.5Å; D224-S226 WeakPolarHBondContact OD1-CB 3.26Å; D224-S226 PolarHBondContact OD1-N 3.06Å; D224-S226 PolarHBondContact OD1-OG 2.93Å
227	A	89.9	Confident	84.7	Confident	21 Å²	21	61 Å²	61	17%	0.174	34%	0.339	C	S	.	.			trans	-65.6	156.1	-177.5	0	0	0	0	0	112.7	L222 D224	L222-A227 HydrophobicContact CB-CB 4.27Å; L222-A227 HydrophobicContact CD1-CB 4.38Å; L222-A227 WeakPolarHBondContact CD1-O 3.38Å; L222-A227 HydrophobicContact CD2-CB 4.42Å; D224-A227 WeakPolarHBondContact O-CB 3.48Å; D224-A227 PolarHBondContact O-N 3.03Å; D224-A227 VanDerWaalsContact O-N 3.14Å; D224-A227 PolarHBondContact OD1-N 3.34Å
228	R	90.5	Very high	85	Confident	152 Å²	152	60.7 Å²	60.7	57%	0.574	34%	0.34	S	S	*	.			trans	-123.9	137.9	171.7	-66.8	-178.4	176.5	174.6	-2.5	109.1	P249 Y250 N251	R228-P249 HydrophobicContact CB-CB 4.06Å; R228-Y250 CarbonylContact C-O 3.57Å; R228-Y250 VanDerWaalsContact CA-O 3.28Å; R228-Y250 WeakPolarHBondContact CA-O 3.46Å; R228-N251 HydrophobicContact CG-CB 4.46Å
229	I	87.9	Confident	85.2	Confident	38 Å²	38	59.6 Å²	59.6	20%	0.195	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-83.8	146.9	173.5	-171.7	164.8	0	0	0	109.7	V220 L222 G231 P249 Y250	V220-I229 HydrophobicContact CB-CD1 4.28Å; V220-I229 HydrophobicContact CG1-CD1 3.99Å; V220-I229 HydrophobicContact CG2-CD1 3.94Å; L222-I229 HydrophobicContact CD2-CB 4.33Å; I229-G231 PolarHBondContact O-N 3.44Å; I229-P249 WeakPolarHBondContact O-CA 3.46Å; I229-Y250 HydrophobicContact CG2-CD1 4.31Å; I229-Y250 HydrophobicContact CG2-CD2 3.42Å; I229-Y250 VanDerWaalsContact CG2-CD2 3.42Å; I229-Y250 HydrophobicContact CG2-CE1 4.07Å; I229-Y250 HydrophobicContact CG2-CE2 3.11Å; I229-Y250 HydrophobicContact CG2-CG 4.01Å; I229-Y250 VanDerWaalsContact CG2-CZ 3.45Å; I229-Y250 PolarHBondContact N-O 3.25Å; I229-Y250 PolarHBondContact O-N 2.82Å; I229-Y250 VanDerWaalsContact O-N 3.14Å
230	Q	82.6	Confident	85.2	Confident	166 Å²	166	60.3 Å²	60.3	78%	0.776	34%	0.338	S	S	*	.			trans	-59	137.8	175.2	-169.7	173	0.4	0	0	110.6	T232	Q230-T232 PolarHBondContact O-N 3.29Å; Q230-T232 PolarHBondContact O-OG1 2.97Å
231	G	72.4	Confident	85.3	Confident	22 Å²	22	59.9 Å²	59.9	23%	0.227	34%	0.335	C	S	.	.			trans	-65.4	85.7	-172	0	0	0	0	0	113.7	I229 G247 E248	I229-G231 PolarHBondContact O-N 3.44Å; G231-G247 WeakPolarHBondContact CA-O 3.45Å; G231-E248 VanDerWaalsContact CA-O 3.22Å; G231-E248 WeakPolarHBondContact CA-O 3.42Å
232	T	76.3	Confident	85.4	Confident	64 Å²	64	55.3 Å²	55.3	39%	0.393	31%	0.314	S	S	.	.			trans	-97.2	125.9	171.6	45.1	0	0	0	0	109	Q230 V234 Y250	Q230-T232 PolarHBondContact O-N 3.29Å; Q230-T232 PolarHBondContact O-OG1 2.97Å; T232-V234 PolarHBondContact O-N 2.72Å; T232-Y250 PolarHBondContact O-OH 3.01Å; T232-Y250 PolarHBondContact OG1-OH 3.04Å
233	K	79.9	Confident	85.5	Confident	107 Å²	107	55 Å²	55	47%	0.465	31%	0.312	S	S	.	.			trans	-75.4	88.2	176.9	-175.5	178.3	-72.8	-162.6	0	109.5	M240 V245 F281	K233-M240 HydrophobicContact CG-CE 4.18Å; K233-M240 HydrophobicContact CG-SD 3.92Å; K233-V245 WeakPolarHBondContact CE-O 3.13Å; K233-V245 PolarHBondContact NZ-O 2.89Å; K233-F281 HydrophobicContact CD-CZ 4.34Å
234	V	79.4	Confident	85.6	Confident	36 Å²	36	49.8 Å²	49.8	22%	0.218	28%	0.278	C	S	.	.			trans	-123.3	156.3	-178	-62.1	0	0	0	0	111.4	R193 L218 T232 V244	R193-V234 HydrophobicContact CB-CG2 4.45Å; L218-V234 HydrophobicContact CD1-CB 4.38Å; T232-V234 PolarHBondContact O-N 2.72Å; V234-V244 WeakPolarHBondContact O-CG1 3.39Å
235	G	73.1	Confident	85.6	Confident	26 Å²	26	47 Å²	47	27%	0.268	26%	0.263	S	S	.	.	S	Bend	trans	104.6	-172.2	178.9	0	0	0	0	0	114.3	D194 M240	D194-G235 VanDerWaalsContact OD1-CA 3.26Å; D194-G235 WeakPolarHBondContact OD1-CA 3.49Å; G235-M240 VanDerWaalsContact C-CE 3.49Å; G235-M240 WeakPolarHBondContact O-CE 3.09Å
236	T	77.1	Confident	85.7	Confident	46 Å²	46	48.2 Å²	48.2	28%	0.282	26%	0.259	S	S	.	.			trans	-86.5	126.6	179.8	-61.5	0	0	0	0	111.9	D194 R196 S238 Q239 M240	D194-T236 PolarHBondContact OD1-N 3.02Å; D194-T236 PolarHBondContact OD1-OG1 3.46Å; D194-T236 VanDerWaalsContact OD1-OG1 3.07Å; R196-T236 WeakPolarHBondContact CD-OG1 3.26Å; R196-T236 WeakPolarHBondContact CG-OG1 3.08Å; T236-S238 PolarHBondContact O-N 2.95Å; T236-S238 VanDerWaalsContact O-N 3.17Å; T236-Q239 CarbonylContact O-C 3.47Å; T236-Q239 WeakPolarHBondContact O-CA 3.4Å; T236-Q239 PolarHBondContact O-N 2.79Å; T236-M240 WeakPolarHBondContact O-CG 3.48Å; T236-M240 PolarHBondContact O-N 2.92Å; T236-M240 VanDerWaalsContact O-N 3.07Å
237	I	81.8	Confident	85.8	Confident	63 Å²	63	45.1 Å²	45.1	32%	0.323	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-46.2	-51.1	-170.3	-68	173.3	0	0	0	113.3	Q239 P277 I280 F281 I284	I237-Q239 PolarHBondContact O-N 3.39Å; I237-P277 HydrophobicContact CD1-CB 4.31Å; I237-P277 HydrophobicContact CD1-CG 4.47Å; I237-I280 HydrophobicContact CG2-CB 4.3Å; I237-I280 HydrophobicContact CG2-CD1 4.34Å; I237-I280 HydrophobicContact CG2-CG2 3.86Å; I237-F281 HydrophobicContact CB-CE1 4.34Å; I237-F281 HydrophobicContact CD1-CZ 4.4Å; I237-F281 HydrophobicContact CG1-CE1 4.21Å; I237-F281 HydrophobicContact CG1-CZ 4.1Å; I237-F281 HydrophobicContact CG2-CD1 4.32Å; I237-F281 HydrophobicContact CG2-CE1 3.71Å; I237-F281 HydrophobicContact CG2-CZ 4.15Å; I237-I284 WeakPolarHBondContact O-CD1 3.49Å
238	S	81.5	Confident	85.9	Confident	20 Å²	20	48.5 Å²	48.5	14%	0.14	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-71.2	-7.3	-177.6	56.5	0	0	0	0	114.7	T236	T236-S238 PolarHBondContact O-N 2.95Å; T236-S238 VanDerWaalsContact O-N 3.17Å
239	Q	89	Confident	86	Confident	8 Å²	8	45 Å²	45	4%	0.037	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-122.1	-2.3	-174.8	-57.3	-169.5	-110.3	0	0	113.5	I195 R196 T236 I237 S258 I261 F271	I195-Q239 PolarHBondContact O-NE2 2.92Å; R196-Q239 VanDerWaalsContact CA-OE1 3.26Å; T236-Q239 CarbonylContact O-C 3.47Å; T236-Q239 WeakPolarHBondContact O-CA 3.4Å; T236-Q239 PolarHBondContact O-N 2.79Å; I237-Q239 PolarHBondContact O-N 3.39Å; Q239-S258 PolarHBondContact O-OG 3.4Å; Q239-I261 HydrophobicContact CG-CG2 4Å; Q239-F271 HydrophobicContact CG-CE1 4.13Å
240	M	90.1	Very high	86.3	Confident	15 Å²	15	43.4 Å²	43.4	7%	0.074	24%	0.244	C	C	.	.			trans	-66.6	140.3	177.1	-71.5	-174.8	-174.5	0	0	111.1	K233 G235 T236 V244 V245 W257 F281	K233-M240 HydrophobicContact CG-CE 4.18Å; K233-M240 HydrophobicContact CG-SD 3.92Å; G235-M240 VanDerWaalsContact C-CE 3.49Å; G235-M240 WeakPolarHBondContact O-CE 3.09Å; T236-M240 WeakPolarHBondContact O-CG 3.48Å; T236-M240 PolarHBondContact O-N 2.92Å; T236-M240 VanDerWaalsContact O-N 3.07Å; M240-V244 HydrophobicContact CG-CG1 4.38Å; M240-V244 HydrophobicContact SD-CG1 4.27Å; M240-V245 HydrophobicContact CB-CG2 3.84Å; M240-V245 HydrophobicContact SD-CG2 4.4Å; M240-W257 PolarHBondContact O-NE1 3.2Å; M240-F281 HydrophobicContact SD-CE1 4.23Å
241	A	94.8	Very high	86.8	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.008	22%	0.218	C	C	.	.			trans	-74.4	153.3	172.6	0	0	0	0	0	111.8	E243 V244 V245 V254 W257	A241-E243 VanDerWaalsContact C-N 3.29Å; A241-E243 HydrophobicContact CB-CG 4.37Å; A241-E243 PolarHBondContact O-N 3.11Å; A241-V244 HydrophobicContact CB-CG2 4.22Å; A241-V244 WeakPolarHBondContact O-CA 3.29Å; A241-V244 WeakPolarHBondContact O-CB 3.15Å; A241-V244 PolarHBondContact O-N 3.13Å; A241-V245 PolarHBondContact O-N 2.76Å; A241-V254 HydrophobicContact CB-CB 4.07Å; A241-V254 HydrophobicContact CB-CG1 4.05Å; A241-W257 HydrophobicContact CB-CB 3.8Å; A241-W257 HydrophobicContact CB-CD2 4.46Å; A241-W257 HydrophobicContact CB-CG 3.84Å
242	P	95.7	Very high	87.9	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-53.3	-41.8	-179.5	-27.6	34.6	0	0	0	114.1	V244 V245 K246 W257 I284 V313	P242-V244 VanDerWaalsContact C-N 3.3Å; P242-V244 PolarHBondContact O-N 3Å; P242-V245 PolarHBondContact O-N 2.9Å; P242-K246 WeakPolarHBondContact O-CB 3.4Å; P242-K246 VanDerWaalsContact O-CG 3.27Å; P242-K246 WeakPolarHBondContact O-CG 3.14Å; P242-K246 PolarHBondContact O-N 3.07Å; P242-W257 HydrophobicContact CG-CD2 4.44Å; P242-W257 HydrophobicContact CG-CE3 4.08Å; P242-W257 HydrophobicContact CG-CH2 3.57Å; P242-W257 HydrophobicContact CG-CZ2 3.97Å; P242-W257 HydrophobicContact CG-CZ3 3.63Å; P242-I284 HydrophobicContact CB-CG2 4.3Å; P242-I284 HydrophobicContact CG-CG2 3.92Å; P242-V313 HydrophobicContact CB-CG1 4.04Å; P242-V313 HydrophobicContact CG-CB 4.5Å; P242-V313 HydrophobicContact CG-CG1 4.05Å
243	E	94.8	Very high	88.8	Confident	5 Å²	5	35.3 Å²	35.3	2%	0.023	20%	0.199	C	C	.	.	H	α-helix	trans	-65.1	-31.4	177.6	60.2	-89.7	-146.5	0	0	112.8	A241 G247 E248 V254 S315 R318	A241-E243 VanDerWaalsContact C-N 3.29Å; A241-E243 HydrophobicContact CB-CG 4.37Å; A241-E243 PolarHBondContact O-N 3.11Å; E243-G247 PolarHBondContact O-N 2.88Å; E243-G247 VanDerWaalsContact O-N 3.14Å; E243-E248 HydrophobicContact CB-CB 4.22Å; E243-E248 PolarHBondContact O-N 3.33Å; E243-V254 HydrophobicContact CG-CG1 3.97Å; E243-S315 WeakPolarHBondContact OE1-CB 3.17Å; E243-R318 IonicContact OE1-CZ 2.71Å; E243-R318 IonicContact OE1-NH1 3.73Å; E243-R318 PolarHBondContact OE1-NH1 3.35Å; E243-R318 IonicContact OE1-NH2 2.88Å; E243-R318 PolarHBondContact OE1-NH2 3.21Å; E243-R318 IonicContact OE2-CZ 3.26Å; E243-R318 IonicContact OE2-NH1 3.74Å; E243-R318 PolarHBondContact OE2-NH1 2.8Å; E243-R318 IonicContact OE2-NH2 3.89Å; E243-R318 PolarHBondContact OE2-NH2 2.9Å
244	V	93.1	Very high	89.6	Confident	7 Å²	7	30.4 Å²	30.4	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-72.7	-41.3	174.2	-179.7	0	0	0	0	110.2	V234 M240 A241 P242 K246 G247 Y250 V254	V234-V244 WeakPolarHBondContact O-CG1 3.39Å; M240-V244 HydrophobicContact CG-CG1 4.38Å; M240-V244 HydrophobicContact SD-CG1 4.27Å; A241-V244 HydrophobicContact CB-CG2 4.22Å; A241-V244 WeakPolarHBondContact O-CA 3.29Å; A241-V244 WeakPolarHBondContact O-CB 3.15Å; A241-V244 PolarHBondContact O-N 3.13Å; P242-V244 VanDerWaalsContact C-N 3.3Å; P242-V244 PolarHBondContact O-N 3Å; V244-K246 VanDerWaalsContact C-N 3.3Å; V244-K246 PolarHBondContact O-N 3.46Å; V244-G247 PolarHBondContact O-N 3.34Å; V244-Y250 HydrophobicContact CG2-CD1 3.9Å; V244-Y250 HydrophobicContact CG2-CE1 4.03Å; V244-Y250 HydrophobicContact CG2-CG 4.19Å; V244-V254 HydrophobicContact CG2-CB 4.25Å; V244-V254 HydrophobicContact CG2-CG1 3.67Å
245	V	90.8	Very high	90.4	Very high	12 Å²	12	29 Å²	29	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-38.2	176.6	177.2	0	0	0	0	111.4	K233 M240 A241 P242 G247 F281 I284 V285	K233-V245 WeakPolarHBondContact CE-O 3.13Å; K233-V245 PolarHBondContact NZ-O 2.89Å; M240-V245 HydrophobicContact CB-CG2 3.84Å; M240-V245 HydrophobicContact SD-CG2 4.4Å; A241-V245 PolarHBondContact O-N 2.76Å; P242-V245 PolarHBondContact O-N 2.9Å; V245-G247 VanDerWaalsContact C-N 3.34Å; V245-F281 HydrophobicContact CB-CD1 4.46Å; V245-F281 HydrophobicContact CG1-CB 3.67Å; V245-F281 HydrophobicContact CG1-CD1 3.69Å; V245-F281 HydrophobicContact CG1-CG 3.79Å; V245-F281 HydrophobicContact CG2-CD1 3.9Å; V245-F281 HydrophobicContact CG2-CE1 4.37Å; V245-I284 HydrophobicContact CG2-CB 4.49Å; V245-I284 HydrophobicContact CG2-CD1 4.38Å; V245-I284 HydrophobicContact CG2-CG2 3.88Å; V245-V285 HydrophobicContact CB-CG2 4.07Å; V245-V285 HydrophobicContact CG1-CG2 3.66Å
246	K	91.3	Very high	91.6	Very high	101 Å²	101	28.2 Å²	28.2	44%	0.439	16%	0.159	S	C	.	.	H	α-helix	trans	-76.7	-15.1	176.9	-68.5	173.1	-174.8	178.6	0	114.2	P242 V244 E248 V285	P242-K246 WeakPolarHBondContact O-CB 3.4Å; P242-K246 VanDerWaalsContact O-CG 3.27Å; P242-K246 WeakPolarHBondContact O-CG 3.14Å; P242-K246 PolarHBondContact O-N 3.07Å; V244-K246 VanDerWaalsContact C-N 3.3Å; V244-K246 PolarHBondContact O-N 3.46Å; K246-E248 VanDerWaalsContact C-N 3.31Å; K246-E248 HydrophobicContact CB-CG 3.87Å; K246-E248 WeakPolarHBondContact CD-OE1 3.33Å; K246-V285 VanDerWaalsContact CE-CG1 3.47Å; K246-V285 HydrophobicContact CG-CG2 4Å
247	G	89.2	Confident	92.6	Very high	36 Å²	36	26 Å²	26	37%	0.371	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	26.4	-172.8	0	0	0	0	0	113.3	G231 E243 V244 V245	G231-G247 WeakPolarHBondContact CA-O 3.45Å; E243-G247 PolarHBondContact O-N 2.88Å; E243-G247 VanDerWaalsContact O-N 3.14Å; V244-G247 PolarHBondContact O-N 3.34Å; V245-G247 VanDerWaalsContact C-N 3.34Å
248	E	92.5	Very high	93.3	Very high	93 Å²	93	23.3 Å²	23.3	44%	0.435	13%	0.132	S	C	.	.			trans	-81.4	153.3	175.7	-69.4	173.9	171.7	0	0	110.7	G231 E243 K246 Y250	G231-E248 VanDerWaalsContact CA-O 3.22Å; G231-E248 WeakPolarHBondContact CA-O 3.42Å; E243-E248 HydrophobicContact CB-CB 4.22Å; E243-E248 PolarHBondContact O-N 3.33Å; K246-E248 VanDerWaalsContact C-N 3.31Å; K246-E248 HydrophobicContact CB-CG 3.87Å; K246-E248 WeakPolarHBondContact CD-OE1 3.33Å; E248-Y250 WeakPolarHBondContact O-CD1 3.36Å; E248-Y250 PolarHBondContact O-N 3.49Å
249	P	92.7	Very high	94.1	Very high	78 Å²	78	22.4 Å²	22.4	51%	0.506	13%	0.126	S	C	.	.			trans	-62.2	132.4	172.4	-21.8	33.1	0	0	0	112.1	R228 I229	R228-P249 HydrophobicContact CB-CB 4.06Å; I229-P249 WeakPolarHBondContact O-CA 3.46Å
250	Y	93.9	Very high	94.5	Very high	4 Å²	4	22 Å²	22	2%	0.016	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-131.1	169.3	-171.5	60.5	-102.1	0	0	0	113.4	R193 R228 I229 T232 V244 E248 V254	R193-Y250 WeakPolarHBondContact CD-OH 3.34Å; R193-Y250 HydrophobicContact CG-CE2 4.19Å; R193-Y250 PolarHBondContact NH1-OH 3.07Å; R228-Y250 CarbonylContact C-O 3.57Å; R228-Y250 VanDerWaalsContact CA-O 3.28Å; R228-Y250 WeakPolarHBondContact CA-O 3.46Å; I229-Y250 HydrophobicContact CG2-CD1 4.31Å; I229-Y250 HydrophobicContact CG2-CD2 3.42Å; I229-Y250 VanDerWaalsContact CG2-CD2 3.42Å; I229-Y250 HydrophobicContact CG2-CE1 4.07Å; I229-Y250 HydrophobicContact CG2-CE2 3.11Å; I229-Y250 HydrophobicContact CG2-CG 4.01Å; I229-Y250 VanDerWaalsContact CG2-CZ 3.45Å; I229-Y250 PolarHBondContact N-O 3.25Å; I229-Y250 PolarHBondContact O-N 2.82Å; I229-Y250 VanDerWaalsContact O-N 3.14Å; T232-Y250 PolarHBondContact O-OH 3.01Å; T232-Y250 PolarHBondContact OG1-OH 3.04Å; V244-Y250 HydrophobicContact CG2-CD1 3.9Å; V244-Y250 HydrophobicContact CG2-CE1 4.03Å; V244-Y250 HydrophobicContact CG2-CG 4.19Å; E248-Y250 WeakPolarHBondContact O-CD1 3.36Å; E248-Y250 PolarHBondContact O-N 3.49Å; Y250-V254 HydrophobicContact CD2-CB 4.49Å; Y250-V254 HydrophobicContact CD2-CG1 3.58Å; Y250-V254 HydrophobicContact CD2-CG2 4.14Å; Y250-V254 HydrophobicContact CE2-CG1 4.43Å; Y250-V254 HydrophobicContact CE2-CG2 4.46Å; Y250-V254 HydrophobicContact CG-CG1 3.72Å
251	N	93.8	Very high	94.8	Very high	44 Å²	44	21.3 Å²	21.3	24%	0.235	12%	0.121	C	C	.	.			trans	-138.4	-160.3	-179.1	67.6	6.1	0	0	0	110.6	R228 A253 V254	R228-N251 HydrophobicContact CG-CB 4.46Å; N251-A253 PolarHBondContact O-N 2.99Å; N251-A253 VanDerWaalsContact OD1-CB 3.26Å; N251-A253 WeakPolarHBondContact OD1-CB 3.49Å; N251-A253 PolarHBondContact OD1-N 3.34Å; N251-V254 WeakPolarHBondContact O-CG2 3.34Å; N251-V254 PolarHBondContact O-N 3.01Å
252	F	95.4	Very high	94.8	Very high	25 Å²	25	21.4 Å²	21.4	11%	0.11	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-20.8	179	-48.7	-76.5	0	0	0	115.5	V186 D189 I191 L222 S225 V254 D255	V186-F252 HydrophobicContact CB-CD1 4.49Å; V186-F252 HydrophobicContact CG2-CB 4.19Å; V186-F252 HydrophobicContact CG2-CD1 3.87Å; V186-F252 HydrophobicContact CG2-CG 4.07Å; D189-F252 HydrophobicContact CB-CZ 4.4Å; I191-F252 HydrophobicContact CG1-CD1 3.57Å; I191-F252 HydrophobicContact CG1-CE1 3.78Å; I191-F252 HydrophobicContact CG1-CG 4.29Å; L222-F252 HydrophobicContact CD1-CE1 4.25Å; L222-F252 HydrophobicContact CD1-CE2 3.9Å; L222-F252 HydrophobicContact CD1-CZ 3.67Å; L222-F252 HydrophobicContact CG-CZ 4.5Å; S225-F252 WeakPolarHBondContact O-CE2 3.21Å; F252-V254 PolarHBondContact O-N 3.4Å; F252-V254 VanDerWaalsContact O-N 3.12Å; F252-D255 PolarHBondContact O-N 3.39Å; F252-D255 VanDerWaalsContact O-N 3.16Å
253	A	96	Very high	94.9	Very high	14 Å²	14	21.4 Å²	21.4	12%	0.116	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-23	-179.6	0	0	0	0	0	113.1	N251 D255 M256 W257 R318	N251-A253 PolarHBondContact O-N 2.99Å; N251-A253 VanDerWaalsContact OD1-CB 3.26Å; N251-A253 WeakPolarHBondContact OD1-CB 3.49Å; N251-A253 PolarHBondContact OD1-N 3.34Å; A253-D255 VanDerWaalsContact C-N 3.33Å; A253-D255 PolarHBondContact O-N 3.41Å; A253-M256 PolarHBondContact O-N 2.92Å; A253-W257 PolarHBondContact O-N 2.85Å; A253-R318 VanDerWaalsContact C-NH1 3.32Å; A253-R318 WeakPolarHBondContact O-CD 3.42Å; A253-R318 PolarHBondContact O-NH1 3.33Å
254	V	95.8	Very high	94.9	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.024	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-38.7	177.4	-57.5	0	0	0	0	112	I191 A241 E243 V244 Y250 N251 F252 M256 W257 S258	I191-V254 HydrophobicContact CG2-CG2 3.64Å; A241-V254 HydrophobicContact CB-CB 4.07Å; A241-V254 HydrophobicContact CB-CG1 4.05Å; E243-V254 HydrophobicContact CG-CG1 3.97Å; V244-V254 HydrophobicContact CG2-CB 4.25Å; V244-V254 HydrophobicContact CG2-CG1 3.67Å; Y250-V254 HydrophobicContact CD2-CB 4.49Å; Y250-V254 HydrophobicContact CD2-CG1 3.58Å; Y250-V254 HydrophobicContact CD2-CG2 4.14Å; Y250-V254 HydrophobicContact CE2-CG1 4.43Å; Y250-V254 HydrophobicContact CE2-CG2 4.46Å; Y250-V254 HydrophobicContact CG-CG1 3.72Å; N251-V254 WeakPolarHBondContact O-CG2 3.34Å; N251-V254 PolarHBondContact O-N 3.01Å; F252-V254 PolarHBondContact O-N 3.4Å; F252-V254 VanDerWaalsContact O-N 3.12Å; V254-M256 VanDerWaalsContact C-N 3.32Å; V254-M256 PolarHBondContact O-N 2.85Å; V254-W257 WeakPolarHBondContact O-CB 3.26Å; V254-W257 PolarHBondContact O-N 3.47Å; V254-S258 PolarHBondContact O-N 2.99Å; V254-S258 PolarHBondContact O-OG 3.34Å
255	D	96.8	Very high	94.9	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.032	12%	0.118	C	C	.	.	H	α-helix	trans	-67.5	-36.8	179.4	-72.2	-19.3	0	0	0	110.7	I191 H192 R193 I195 F252 A253 W257 S258 V259	I191-D255 WeakPolarHBondContact CG2-OD2 3.47Å; H192-D255 PolarHBondContact N-OD1 3.11Å; H192-D255 PolarHBondContact N-OD2 3.38Å; R193-D255 PolarHBondContact N-OD1 3.33Å; I195-D255 HydrophobicContact CD1-CB 3.62Å; F252-D255 PolarHBondContact O-N 3.39Å; F252-D255 VanDerWaalsContact O-N 3.16Å; A253-D255 VanDerWaalsContact C-N 3.33Å; A253-D255 PolarHBondContact O-N 3.41Å; D255-W257 VanDerWaalsContact C-N 3.32Å; D255-W257 PolarHBondContact O-N 3.11Å; D255-S258 PolarHBondContact O-N 3.5Å; D255-V259 WeakPolarHBondContact O-CG2 3.18Å; D255-V259 PolarHBondContact O-N 3.37Å
256	M	98.1	Very high	95.1	Very high	9 Å²	9	20.4 Å²	20.4	4%	0.044	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-32.9	176.7	-60.4	-55.1	-53.8	0	0	112.7	L179 L182 A253 V254 V259 G260 L310 V321 A324	L179-M256 HydrophobicContact CD2-CE 3.74Å; L179-M256 HydrophobicContact CD2-SD 4.48Å; L182-M256 HydrophobicContact CD1-SD 4.5Å; A253-M256 PolarHBondContact O-N 2.92Å; V254-M256 VanDerWaalsContact C-N 3.32Å; V254-M256 PolarHBondContact O-N 2.85Å; M256-V259 PolarHBondContact O-N 3.02Å; M256-G260 PolarHBondContact O-N 3Å; M256-L310 HydrophobicContact CB-CD2 4.21Å; M256-L310 HydrophobicContact CE-CD2 3.38Å; M256-V321 HydrophobicContact SD-CB 3.87Å; M256-V321 HydrophobicContact SD-CG2 4.11Å; M256-A324 HydrophobicContact CE-CB 3.83Å
257	W	97.5	Very high	95.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.7	-49.2	170.8	177.3	-85.1	0	0	0	110.6	M240 A241 P242 A253 V254 D255 V259 G260 I261 F273 I284 L311	M240-W257 PolarHBondContact O-NE1 3.2Å; A241-W257 HydrophobicContact CB-CB 3.8Å; A241-W257 HydrophobicContact CB-CD2 4.46Å; A241-W257 HydrophobicContact CB-CG 3.84Å; P242-W257 HydrophobicContact CG-CD2 4.44Å; P242-W257 HydrophobicContact CG-CE3 4.08Å; P242-W257 HydrophobicContact CG-CH2 3.57Å; P242-W257 HydrophobicContact CG-CZ2 3.97Å; P242-W257 HydrophobicContact CG-CZ3 3.63Å; A253-W257 PolarHBondContact O-N 2.85Å; V254-W257 WeakPolarHBondContact O-CB 3.26Å; V254-W257 PolarHBondContact O-N 3.47Å; D255-W257 VanDerWaalsContact C-N 3.32Å; D255-W257 PolarHBondContact O-N 3.11Å; W257-V259 VanDerWaalsContact C-N 3.27Å; W257-V259 PolarHBondContact O-N 2.92Å; W257-G260 WeakPolarHBondContact O-CA 3.15Å; W257-G260 PolarHBondContact O-N 3.32Å; W257-I261 WeakPolarHBondContact O-CG1 3.38Å; W257-I261 PolarHBondContact O-N 3.35Å; W257-F273 HydrophobicContact CH2-CZ 4.18Å; W257-F273 AromaticContact CZ2-CE2 3.7Å; W257-F273 HydrophobicContact CZ2-CE2 3.7Å; W257-F273 AromaticContact CZ2-CZ 3.74Å; W257-F273 HydrophobicContact CZ2-CZ 3.74Å; W257-I284 HydrophobicContact CZ2-CG2 3.9Å; W257-L311 HydrophobicContact CD2-CD2 4.01Å; W257-L311 HydrophobicContact CE3-CD2 4.18Å; W257-L311 HydrophobicContact CG-CD2 4.46Å; W257-L311 HydrophobicContact CZ2-CD2 4.46Å; W257-L311 HydrophobicContact CZ3-CB 4.37Å; W257-L311 WeakPolarHBondContact CZ3-O 3.42Å
258	S	96.6	Very high	95.4	Very high	7 Å²	7	13.9 Å²	13.9	5%	0.049	8%	0.076	C	C	.	.	H	α-helix	trans	-60.8	-35.4	178.3	-55.7	0	0	0	0	112.5	Q239 V254 D255 I261 L262	Q239-S258 PolarHBondContact O-OG 3.4Å; V254-S258 PolarHBondContact O-N 2.99Å; V254-S258 PolarHBondContact O-OG 3.34Å; D255-S258 PolarHBondContact O-N 3.5Å; S258-I261 PolarHBondContact O-N 2.83Å; S258-L262 PolarHBondContact O-N 3.12Å
259	V	97.8	Very high	95.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62	-42.4	169.2	173.9	0	0	0	0	111.2	L178 L179 L182 I195 D255 M256 W257 I261 L262 V263 L310	L178-V259 HydrophobicContact CD2-CG1 4.41Å; L178-V259 HydrophobicContact CD2-CG2 4.05Å; L178-V259 HydrophobicContact CG-CG2 4.47Å; L179-V259 HydrophobicContact CD2-CG1 4.43Å; L182-V259 HydrophobicContact CD1-CG2 3.42Å; L182-V259 VanDerWaalsContact CD1-CG2 3.42Å; I195-V259 HydrophobicContact CD1-CG2 4.33Å; D255-V259 WeakPolarHBondContact O-CG2 3.18Å; D255-V259 PolarHBondContact O-N 3.37Å; M256-V259 PolarHBondContact O-N 3.02Å; W257-V259 VanDerWaalsContact C-N 3.27Å; W257-V259 PolarHBondContact O-N 2.92Å; V259-I261 VanDerWaalsContact C-N 3.31Å; V259-I261 PolarHBondContact O-N 3.48Å; V259-L262 PolarHBondContact O-N 3.48Å; V259-V263 HydrophobicContact CG1-CG2 4.05Å; V259-V263 WeakPolarHBondContact O-CG2 3.33Å; V259-V263 PolarHBondContact O-N 3.13Å; V259-L310 HydrophobicContact CG1-CD1 4.1Å
260	G	97.4	Very high	94.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-57.4	-42.2	174.9	0	0	0	0	0	112.8	M256 W257 V263 F264	M256-G260 PolarHBondContact O-N 3Å; W257-G260 WeakPolarHBondContact O-CA 3.15Å; W257-G260 PolarHBondContact O-N 3.32Å; G260-V263 PolarHBondContact O-N 3.5Å; G260-F264 WeakPolarHBondContact O-CB 3.44Å; G260-F264 PolarHBondContact O-N 3.26Å
261	I	96.2	Very high	94.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.8	-44.2	175.6	-54	-63.1	0	0	0	110.9	Q239 W257 S258 V259 V263 F264 V265 F271 P272 F273 L311	Q239-I261 HydrophobicContact CG-CG2 4Å; W257-I261 WeakPolarHBondContact O-CG1 3.38Å; W257-I261 PolarHBondContact O-N 3.35Å; S258-I261 PolarHBondContact O-N 2.83Å; V259-I261 VanDerWaalsContact C-N 3.31Å; V259-I261 PolarHBondContact O-N 3.48Å; I261-V263 VanDerWaalsContact C-N 3.35Å; I261-V263 PolarHBondContact O-N 2.68Å; I261-F264 WeakPolarHBondContact O-CB 3.33Å; I261-F264 PolarHBondContact O-N 3.26Å; I261-V265 WeakPolarHBondContact O-CG2 3.42Å; I261-V265 PolarHBondContact O-N 2.81Å; I261-F271 HydrophobicContact CG2-CD1 3.78Å; I261-F271 HydrophobicContact CG2-CE1 3.84Å; I261-P272 HydrophobicContact CD1-CG 3.48Å; I261-P272 VanDerWaalsContact CD1-CG 3.48Å; I261-P272 HydrophobicContact CG2-CG 4.25Å; I261-F273 HydrophobicContact CD1-CD2 4.1Å; I261-F273 HydrophobicContact CD1-CE2 3.58Å; I261-L311 HydrophobicContact CD1-CD1 4.32Å; I261-L311 HydrophobicContact CD1-CD2 3.52Å; I261-L311 HydrophobicContact CG1-CD2 4.03Å
262	L	95.5	Very high	94.4	Very high	4 Å²	4	7.6 Å²	7.6	2%	0.021	4%	0.04	C	C	.	.	H	α-helix	trans	-59.5	-46	176.7	-176.8	155.8	0	0	0	111.2	L178 L197 A200 S258 V259 V265 L266	L178-L262 HydrophobicContact CD2-CD1 4.08Å; L178-L262 HydrophobicContact CD2-CD2 4.27Å; L197-L262 HydrophobicContact CD2-CB 4.07Å; L197-L262 HydrophobicContact CD2-CD1 4.47Å; L197-L262 HydrophobicContact CD2-CG 3.9Å; A200-L262 HydrophobicContact CB-CD1 4.05Å; S258-L262 PolarHBondContact O-N 3.12Å; V259-L262 PolarHBondContact O-N 3.48Å; L262-V265 PolarHBondContact O-N 2.7Å; L262-L266 HydrophobicContact CD2-CD1 3.43Å; L262-L266 VanDerWaalsContact CD2-CD1 3.43Å; L262-L266 HydrophobicContact CD2-CG 3.98Å; L262-L266 WeakPolarHBondContact O-CG 3.49Å; L262-L266 PolarHBondContact O-N 2.93Å
263	V	97.1	Very high	94	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-65.1	-40.9	178.4	178.9	0	0	0	0	111.1	V175 V259 G260 I261 V265 L266 L267 F306 V307 L310 W329	V175-V263 HydrophobicContact CG1-CG2 4.06Å; V175-V263 HydrophobicContact CG2-CG2 3.74Å; V259-V263 HydrophobicContact CG1-CG2 4.05Å; V259-V263 WeakPolarHBondContact O-CG2 3.33Å; V259-V263 PolarHBondContact O-N 3.13Å; G260-V263 PolarHBondContact O-N 3.5Å; I261-V263 VanDerWaalsContact C-N 3.35Å; I261-V263 PolarHBondContact O-N 2.68Å; V263-V265 VanDerWaalsContact C-N 3.35Å; V263-V265 PolarHBondContact O-N 3.02Å; V263-L266 PolarHBondContact O-N 3.25Å; V263-L267 HydrophobicContact CG1-CD1 3.73Å; V263-L267 HydrophobicContact CG1-CG 4.33Å; V263-L267 WeakPolarHBondContact O-CB 3.38Å; V263-L267 WeakPolarHBondContact O-CG 3.38Å; V263-L267 PolarHBondContact O-N 3.06Å; V263-F306 HydrophobicContact CG1-CD1 4.22Å; V263-F306 HydrophobicContact CG1-CE1 4.43Å; V263-F306 HydrophobicContact CG2-CE1 4.1Å; V263-V307 HydrophobicContact CB-CG2 4.24Å; V263-V307 HydrophobicContact CG1-CG2 3.59Å; V263-L310 HydrophobicContact CG2-CD1 4.49Å; V263-W329 HydrophobicContact CG1-CH2 4.03Å; V263-W329 HydrophobicContact CG1-CZ3 3.97Å
264	F	95.9	Very high	93	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.009	5%	0.05	C	C	.	.	H	α-helix	trans	-55.2	-51.8	174.4	-171.9	-72.1	0	0	0	110.3	G260 I261 L266 L267 S268 T270 P272 Y289 M291 W296 V307 L311	G260-F264 WeakPolarHBondContact O-CB 3.44Å; G260-F264 PolarHBondContact O-N 3.26Å; I261-F264 WeakPolarHBondContact O-CB 3.33Å; I261-F264 PolarHBondContact O-N 3.26Å; F264-L266 PolarHBondContact O-N 3.02Å; F264-L267 PolarHBondContact O-N 3.45Å; F264-S268 WeakPolarHBondContact CE1-OG 3.43Å; F264-S268 PolarHBondContact O-N 3.38Å; F264-S268 PolarHBondContact O-OG 3.23Å; F264-S268 VanDerWaalsContact O-OG 3.07Å; F264-T270 WeakPolarHBondContact CD1-O 3.49Å; F264-T270 WeakPolarHBondContact CE1-O 3.21Å; F264-P272 HydrophobicContact CB-CG 4.48Å; F264-P272 HydrophobicContact CD1-CB 3.98Å; F264-P272 HydrophobicContact CD1-CG 4.12Å; F264-P272 HydrophobicContact CD2-CB 3.83Å; F264-P272 HydrophobicContact CD2-CG 4.32Å; F264-P272 HydrophobicContact CE1-CB 3.87Å; F264-P272 HydrophobicContact CE1-CG 4.45Å; F264-P272 HydrophobicContact CE2-CB 3.72Å; F264-P272 HydrophobicContact CG-CB 3.98Å; F264-P272 HydrophobicContact CG-CG 4.06Å; F264-P272 HydrophobicContact CZ-CB 3.74Å; F264-Y289 HydrophobicContact CE2-CD2 4.15Å; F264-M291 HydrophobicContact CD2-CE 4.49Å; F264-M291 HydrophobicContact CE2-CG 3.95Å; F264-W296 HydrophobicContact CD1-CZ2 4.07Å; F264-W296 HydrophobicContact CD2-CH2 4.01Å; F264-W296 AromaticContact CD2-CZ2 3.47Å; F264-W296 HydrophobicContact CD2-CZ2 3.47Å; F264-W296 VanDerWaalsContact CD2-CZ2 3.47Å; F264-W296 HydrophobicContact CE1-CZ2 4.03Å; F264-W296 AromaticContact CE2-CE2 4Å; F264-W296 HydrophobicContact CE2-CH2 4.27Å; F264-W296 AromaticContact CE2-CZ2 3.41Å; F264-W296 HydrophobicContact CE2-CZ2 3.41Å; F264-W296 VanDerWaalsContact CE2-CZ2 3.41Å; F264-W296 HydrophobicContact CG-CH2 4.4Å; F264-W296 AromaticContact CG-CZ2 3.8Å; F264-W296 HydrophobicContact CG-CZ2 3.8Å; F264-W296 AromaticContact CZ-CE2 3.98Å; F264-W296 AromaticContact CZ-CZ2 3.71Å; F264-W296 HydrophobicContact CZ-CZ2 3.71Å; F264-W296 AromaticContact CZ-NE1 3.69Å; F264-V307 HydrophobicContact CB-CG1 4.3Å; F264-V307 HydrophobicContact CD2-CG1 3.99Å; F264-L311 HydrophobicContact CD2-CD1 4.24Å
265	V	93.1	Very high	91.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.6	-42.1	179	175.6	0	0	0	0	111.6	L197 I261 L262 V263 L267 S268 G269 T270 F271 M349 F352	L197-V265 HydrophobicContact CD1-CB 4.45Å; L197-V265 HydrophobicContact CD1-CG1 3.9Å; L197-V265 HydrophobicContact CD1-CG2 4.34Å; L197-V265 HydrophobicContact CD2-CB 4.1Å; L197-V265 HydrophobicContact CD2-CG1 4.2Å; L197-V265 HydrophobicContact CD2-CG2 4.35Å; I261-V265 WeakPolarHBondContact O-CG2 3.42Å; I261-V265 PolarHBondContact O-N 2.81Å; L262-V265 PolarHBondContact O-N 2.7Å; V263-V265 VanDerWaalsContact C-N 3.35Å; V263-V265 PolarHBondContact O-N 3.02Å; V265-L267 VanDerWaalsContact C-N 3.25Å; V265-L267 PolarHBondContact O-N 3.4Å; V265-S268 PolarHBondContact O-N 3.4Å; V265-G269 VanDerWaalsContact O-CA 3.27Å; V265-G269 WeakPolarHBondContact O-CA 3.19Å; V265-G269 PolarHBondContact O-N 3.23Å; V265-T270 WeakPolarHBondContact CG2-O 3.46Å; V265-F271 HydrophobicContact CG2-CD1 3.73Å; V265-F271 HydrophobicContact CG2-CE1 3.95Å; V265-F271 HydrophobicContact CG2-CG 4.09Å; V265-M349 HydrophobicContact CG1-CE 4.09Å; V265-M349 HydrophobicContact CG1-SD 4.36Å; V265-M349 VanDerWaalsContact O-CE 3.25Å; V265-M349 WeakPolarHBondContact O-CE 3.44Å; V265-F352 HydrophobicContact CG1-CE1 4.43Å
266	L	95.1	Very high	90.2	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-63.5	-29.8	178.2	-72.2	-177.6	0	0	0	113.4	L152 Y166 I171 V175 L262 V263 F264 T345 M349	L152-L266 HydrophobicContact CD2-CD1 3.63Å; L152-L266 HydrophobicContact CD2-CD2 3.75Å; L152-L266 HydrophobicContact CD2-CG 4.36Å; L152-L266 HydrophobicContact CG-CD2 4Å; Y166-L266 WeakPolarHBondContact CE1-O 3.5Å; Y166-L266 PolarHBondContact OH-O 3.03Å; I171-L266 HydrophobicContact CD1-CB 4.48Å; I171-L266 VanDerWaalsContact CD1-O 3.26Å; I171-L266 WeakPolarHBondContact CD1-O 3.08Å; I171-L266 HydrophobicContact CG2-CB 3.87Å; I171-L266 HydrophobicContact CG2-CD1 3.97Å; V175-L266 HydrophobicContact CG2-CD1 4.47Å; L262-L266 HydrophobicContact CD2-CD1 3.43Å; L262-L266 VanDerWaalsContact CD2-CD1 3.43Å; L262-L266 HydrophobicContact CD2-CG 3.98Å; L262-L266 WeakPolarHBondContact O-CG 3.49Å; L262-L266 PolarHBondContact O-N 2.93Å; V263-L266 PolarHBondContact O-N 3.25Å; F264-L266 PolarHBondContact O-N 3.02Å; L266-T345 WeakPolarHBondContact O-CG2 3.21Å; L266-M349 HydrophobicContact CD2-CE 4.38Å
267	L	95.2	Very high	89	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-87.2	-35.6	179.8	-70.6	168.3	0	0	0	112.9	E168 I171 V263 F264 V265 W296 I299 A303 V307 W329 T345	E168-L267 HydrophobicContact CG-CD2 3.96Å; I171-L267 HydrophobicContact CD1-CD2 3.65Å; I171-L267 HydrophobicContact CD1-CG 4.32Å; I171-L267 HydrophobicContact CG2-CD2 4.48Å; V263-L267 HydrophobicContact CG1-CD1 3.73Å; V263-L267 HydrophobicContact CG1-CG 4.33Å; V263-L267 WeakPolarHBondContact O-CB 3.38Å; V263-L267 WeakPolarHBondContact O-CG 3.38Å; V263-L267 PolarHBondContact O-N 3.06Å; F264-L267 PolarHBondContact O-N 3.45Å; V265-L267 VanDerWaalsContact C-N 3.25Å; V265-L267 PolarHBondContact O-N 3.4Å; L267-W296 HydrophobicContact CB-CH2 4.26Å; L267-W296 HydrophobicContact CD1-CH2 4.22Å; L267-W296 HydrophobicContact CD1-CZ3 4.3Å; L267-I299 HydrophobicContact CB-CD1 4.31Å; L267-I299 HydrophobicContact CD1-CG2 4.33Å; L267-I299 HydrophobicContact CD2-CD1 4.05Å; L267-I299 HydrophobicContact CD2-CG2 4.23Å; L267-A303 HydrophobicContact CD1-CB 4.05Å; L267-A303 HydrophobicContact CD2-CB 4.42Å; L267-V307 HydrophobicContact CD1-CG2 3.85Å; L267-W329 HydrophobicContact CD1-CH2 4.36Å; L267-W329 HydrophobicContact CD2-CH2 4.29Å; L267-W329 HydrophobicContact CD2-CZ2 3.99Å; L267-T345 VanDerWaalsContact C-CG2 3.5Å; L267-T345 WeakPolarHBondContact O-CG2 3.5Å; L267-T345 PolarHBondContact O-OG1 3.44Å
268	S	91.5	Very high	88.1	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-108	-23	-173.1	73.3	0	0	0	0	115	F264 V265 T270 S295	F264-S268 WeakPolarHBondContact CE1-OG 3.43Å; F264-S268 PolarHBondContact O-N 3.38Å; F264-S268 PolarHBondContact O-OG 3.23Å; F264-S268 VanDerWaalsContact O-OG 3.07Å; V265-S268 PolarHBondContact O-N 3.4Å; S268-T270 VanDerWaalsContact C-N 3.3Å; S268-T270 PolarHBondContact OG-N 2.85Å; S268-T270 VanDerWaalsContact OG-N 3.14Å; S268-T270 PolarHBondContact OG-O 2.87Å; S268-T270 VanDerWaalsContact OG-O 3.13Å; S268-T270 PolarHBondContact OG-OG1 3.18Å; S268-S295 WeakPolarHBondContact CA-OG 3.26Å; S268-S295 PolarHBondContact O-OG 3.46Å
269	G	88.3	Confident	87.4	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	77.6	9.3	-170.4	0	0	0	0	0	114.3	V265	V265-G269 VanDerWaalsContact O-CA 3.27Å; V265-G269 WeakPolarHBondContact O-CA 3.19Å; V265-G269 PolarHBondContact O-N 3.23Å
270	T	86.3	Confident	86.7	Confident	12 Å²	12	21.6 Å²	21.6	7%	0.074	11%	0.113	C	C	.	.	S	Bend	trans	-136.8	154.6	-174.2	60.6	0	0	0	0	111.4	F264 V265 S268 N293 F348 E414	F264-T270 WeakPolarHBondContact CD1-O 3.49Å; F264-T270 WeakPolarHBondContact CE1-O 3.21Å; V265-T270 WeakPolarHBondContact CG2-O 3.46Å; S268-T270 VanDerWaalsContact C-N 3.3Å; S268-T270 PolarHBondContact OG-N 2.85Å; S268-T270 VanDerWaalsContact OG-N 3.14Å; S268-T270 PolarHBondContact OG-O 2.87Å; S268-T270 VanDerWaalsContact OG-O 3.13Å; S268-T270 PolarHBondContact OG-OG1 3.18Å; T270-N293 PolarHBondContact OG1-ND2 3.49Å; T270-F348 HydrophobicContact CG2-CB 4.46Å; T270-F348 HydrophobicContact CG2-CD1 4.42Å; T270-F348 HydrophobicContact CG2-CG 4.49Å; T270-E414 WeakPolarHBondContact CG2-OE2 3.39Å
271	F	86.9	Confident	86.4	Confident	62 Å²	62	23.5 Å²	23.5	27%	0.272	12%	0.121	S	C	.	.			trans	-77.5	148.7	172.6	-84.8	-75	0	0	0	111.4	L197 Q239 I261 V265 F273 F352	L197-F271 HydrophobicContact CD1-CE1 4.19Å; L197-F271 HydrophobicContact CD1-CE2 4.22Å; L197-F271 HydrophobicContact CD1-CZ 3.59Å; L197-F271 HydrophobicContact CG-CZ 4.36Å; Q239-F271 HydrophobicContact CG-CE1 4.13Å; I261-F271 HydrophobicContact CG2-CD1 3.78Å; I261-F271 HydrophobicContact CG2-CE1 3.84Å; V265-F271 HydrophobicContact CG2-CD1 3.73Å; V265-F271 HydrophobicContact CG2-CE1 3.95Å; V265-F271 HydrophobicContact CG2-CG 4.09Å; F271-F273 VanDerWaalsContact C-N 3.29Å; F271-F273 PolarHBondContact O-N 3.14Å; F271-F352 AromaticContact CD2-CE2 3.71Å; F271-F352 HydrophobicContact CD2-CE2 3.71Å; F271-F352 HydrophobicContact CD2-CZ 4.39Å; F271-F352 AromaticContact CE2-CE2 3.37Å; F271-F352 HydrophobicContact CE2-CE2 3.37Å; F271-F352 AromaticContact CE2-CZ 3.67Å; F271-F352 HydrophobicContact CE2-CZ 3.67Å; F271-F352 HydrophobicContact CZ-CE2 4.35Å; F271-F352 HydrophobicContact CZ-CZ 4.24Å
272	P	90	Very high	86.1	Confident	14 Å²	14	26.4 Å²	26.4	9%	0.091	14%	0.141	C	C	.	.	S	Bend	trans	-73.6	-19	175.1	26.1	-30.6	0	0	0	113.9	I261 F264 Y289	I261-P272 HydrophobicContact CD1-CG 3.48Å; I261-P272 VanDerWaalsContact CD1-CG 3.48Å; I261-P272 HydrophobicContact CG2-CG 4.25Å; F264-P272 HydrophobicContact CB-CG 4.48Å; F264-P272 HydrophobicContact CD1-CB 3.98Å; F264-P272 HydrophobicContact CD1-CG 4.12Å; F264-P272 HydrophobicContact CD2-CB 3.83Å; F264-P272 HydrophobicContact CD2-CG 4.32Å; F264-P272 HydrophobicContact CE1-CB 3.87Å; F264-P272 HydrophobicContact CE1-CG 4.45Å; F264-P272 HydrophobicContact CE2-CB 3.72Å; F264-P272 HydrophobicContact CG-CB 3.98Å; F264-P272 HydrophobicContact CG-CG 4.06Å; F264-P272 HydrophobicContact CZ-CB 3.74Å; P272-Y289 HydrophobicContact CB-CG 4.33Å; P272-Y289 WeakPolarHBondContact O-CB 3.27Å
273	F	87.9	Confident	85.9	Confident	7 Å²	7	27.5 Å²	27.5	3%	0.031	15%	0.149	C	C	.	.			trans	-129.6	124.6	-179.3	-47.3	-66.2	0	0	0	109.4	W257 I261 F271 I280 I284 Q288 Y289	W257-F273 HydrophobicContact CH2-CZ 4.18Å; W257-F273 AromaticContact CZ2-CE2 3.7Å; W257-F273 HydrophobicContact CZ2-CE2 3.7Å; W257-F273 AromaticContact CZ2-CZ 3.74Å; W257-F273 HydrophobicContact CZ2-CZ 3.74Å; I261-F273 HydrophobicContact CD1-CD2 4.1Å; I261-F273 HydrophobicContact CD1-CE2 3.58Å; F271-F273 VanDerWaalsContact C-N 3.29Å; F271-F273 PolarHBondContact O-N 3.14Å; F273-I280 HydrophobicContact CB-CG2 4.08Å; F273-I284 HydrophobicContact CD1-CG1 4.35Å; F273-I284 HydrophobicContact CD2-CD1 4.27Å; F273-I284 HydrophobicContact CD2-CG1 3.57Å; F273-I284 HydrophobicContact CE1-CG1 4.42Å; F273-I284 HydrophobicContact CE2-CG1 3.67Å; F273-I284 HydrophobicContact CG-CG1 3.94Å; F273-I284 HydrophobicContact CZ-CG1 4.11Å; F273-Q288 WeakPolarHBondContact CE1-O 3.47Å; F273-Y289 HydrophobicContact CE1-CD1 4.06Å; F273-Y289 HydrophobicContact CE1-CG 4.39Å; F273-Y289 HydrophobicContact CZ-CD1 4.01Å
274	S	74	Confident	85.7	Confident	58 Å²	58	27.5 Å²	27.5	41%	0.406	15%	0.149	S	C	.	.			trans	-128.8	165.3	177	54.6	0	0	0	0	110
275	G	67.9	Low	85.6	Confident	11 Å²	11	29.3 Å²	29.3	11%	0.113	16%	0.16	C	C	.	.	S	Bend	trans	115.4	-166.7	178	0	0	0	0	0	114	E279 I280	G275-E279 VanDerWaalsContact CA-OE2 3.27Å; G275-E279 WeakPolarHBondContact CA-OE2 3.46Å; G275-I280 WeakPolarHBondContact O-CD1 3.49Å
276	Q	66.7	Low	85.6	Confident	43 Å²	43	33.6 Å²	33.6	20%	0.201	18%	0.183	C	C	.	.	S	Bend	trans	-68.4	156.9	175.5	-67	-60.9	-31.5	0	0	111.1	E278 E279 I280 Q408	Q276-E278 PolarHBondContact O-N 3.35Å; Q276-E278 VanDerWaalsContact O-N 3.1Å; Q276-E279 HydrophobicContact CB-CG 4.29Å; Q276-E279 PolarHBondContact N-OE2 2.87Å; Q276-E279 WeakPolarHBondContact O-CB 3.33Å; Q276-E279 PolarHBondContact O-N 3.47Å; Q276-I280 WeakPolarHBondContact O-CG1 3.34Å; Q276-I280 PolarHBondContact O-N 3.45Å; Q276-Q408 VanDerWaalsContact NE2-CD 3.32Å
277	P	71.6	Confident	85.3	Confident	9 Å²	9	34.6 Å²	34.6	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-51.4	-39.3	-177.7	-29.7	37.7	0	0	0	113.8	I237 I280 F281 L404	I237-P277 HydrophobicContact CD1-CB 4.31Å; I237-P277 HydrophobicContact CD1-CG 4.47Å; P277-I280 PolarHBondContact O-N 2.92Å; P277-F281 HydrophobicContact CB-CE2 4.29Å; P277-F281 WeakPolarHBondContact O-CB 3.31Å; P277-F281 WeakPolarHBondContact O-CD2 3.14Å; P277-F281 WeakPolarHBondContact O-CG 3.49Å; P277-F281 PolarHBondContact O-N 2.97Å; P277-L404 HydrophobicContact CG-CD2 4.01Å
278	E	79.4	Confident	85	Confident	121 Å²	121	40.4 Å²	40.4	57%	0.565	22%	0.221	S	C	*	.	H	α-helix	trans	-66.9	-40.1	178.6	-63.9	70	-151.9	0	0	112.1	Q276 S282	Q276-E278 PolarHBondContact O-N 3.35Å; Q276-E278 VanDerWaalsContact O-N 3.1Å; E278-S282 WeakPolarHBondContact O-CB 3.28Å; E278-S282 PolarHBondContact O-N 3.11Å
279	E	82	Confident	84.9	Confident	97 Å²	97	42.9 Å²	42.9	45%	0.453	23%	0.23	S	C	.	.	H	α-helix	trans	-67.2	-46.3	175.8	-62.9	169.9	171	0	0	110.4	G275 Q276 F281 S282 S283	G275-E279 VanDerWaalsContact CA-OE2 3.27Å; G275-E279 WeakPolarHBondContact CA-OE2 3.46Å; Q276-E279 HydrophobicContact CB-CG 4.29Å; Q276-E279 PolarHBondContact N-OE2 2.87Å; Q276-E279 WeakPolarHBondContact O-CB 3.33Å; Q276-E279 PolarHBondContact O-N 3.47Å; E279-F281 VanDerWaalsContact C-N 3.34Å; E279-F281 PolarHBondContact O-N 3.16Å; E279-S282 WeakPolarHBondContact O-CB 3.47Å; E279-S282 PolarHBondContact O-N 3.21Å; E279-S283 WeakPolarHBondContact O-CB 3.46Å; E279-S283 PolarHBondContact O-N 2.93Å; E279-S283 PolarHBondContact O-OG 3.17Å
280	I	83.7	Confident	84.7	Confident	13 Å²	13	48.2 Å²	48.2	7%	0.067	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-46.6	176	-67.1	171.6	0	0	0	110.2	I237 F273 G275 Q276 P277 S282 S283 I284	I237-I280 HydrophobicContact CG2-CB 4.3Å; I237-I280 HydrophobicContact CG2-CD1 4.34Å; I237-I280 HydrophobicContact CG2-CG2 3.86Å; F273-I280 HydrophobicContact CB-CG2 4.08Å; G275-I280 WeakPolarHBondContact O-CD1 3.49Å; Q276-I280 WeakPolarHBondContact O-CG1 3.34Å; Q276-I280 PolarHBondContact O-N 3.45Å; P277-I280 PolarHBondContact O-N 2.92Å; I280-S282 VanDerWaalsContact C-N 3.34Å; I280-S282 PolarHBondContact O-N 2.95Å; I280-S283 PolarHBondContact O-N 3.3Å; I280-I284 HydrophobicContact CG2-CD1 3.58Å; I280-I284 HydrophobicContact CG2-CG1 4.24Å; I280-I284 WeakPolarHBondContact O-CB 3.31Å; I280-I284 VanDerWaalsContact O-CG1 3.23Å; I280-I284 WeakPolarHBondContact O-CG1 3.31Å; I280-I284 PolarHBondContact O-N 2.97Å
281	F	89	Confident	84.7	Confident	40 Å²	40	49.7 Å²	49.7	18%	0.175	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-42.8	177.2	-68.9	-29.5	0	0	0	112.3	K233 I237 M240 V245 P277 E279 I284 V285	K233-F281 HydrophobicContact CD-CZ 4.34Å; I237-F281 HydrophobicContact CB-CE1 4.34Å; I237-F281 HydrophobicContact CD1-CZ 4.4Å; I237-F281 HydrophobicContact CG1-CE1 4.21Å; I237-F281 HydrophobicContact CG1-CZ 4.1Å; I237-F281 HydrophobicContact CG2-CD1 4.32Å; I237-F281 HydrophobicContact CG2-CE1 3.71Å; I237-F281 HydrophobicContact CG2-CZ 4.15Å; M240-F281 HydrophobicContact SD-CE1 4.23Å; V245-F281 HydrophobicContact CB-CD1 4.46Å; V245-F281 HydrophobicContact CG1-CB 3.67Å; V245-F281 HydrophobicContact CG1-CD1 3.69Å; V245-F281 HydrophobicContact CG1-CG 3.79Å; V245-F281 HydrophobicContact CG2-CD1 3.9Å; V245-F281 HydrophobicContact CG2-CE1 4.37Å; P277-F281 HydrophobicContact CB-CE2 4.29Å; P277-F281 WeakPolarHBondContact O-CB 3.31Å; P277-F281 WeakPolarHBondContact O-CD2 3.14Å; P277-F281 WeakPolarHBondContact O-CG 3.49Å; P277-F281 PolarHBondContact O-N 2.97Å; E279-F281 VanDerWaalsContact C-N 3.34Å; E279-F281 PolarHBondContact O-N 3.16Å; F281-I284 PolarHBondContact O-N 3.4Å; F281-V285 WeakPolarHBondContact O-CB 3.39Å; F281-V285 VanDerWaalsContact O-CG2 3.3Å; F281-V285 WeakPolarHBondContact O-CG2 3.45Å; F281-V285 PolarHBondContact O-N 3.3Å
282	S	91.4	Very high	83.9	Confident	60 Å²	60	54 Å²	54	42%	0.42	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-48.6	175.7	-173.2	0	0	0	0	111.1	E278 E279 I280 I284 V285 N286	E278-S282 WeakPolarHBondContact O-CB 3.28Å; E278-S282 PolarHBondContact O-N 3.11Å; E279-S282 WeakPolarHBondContact O-CB 3.47Å; E279-S282 PolarHBondContact O-N 3.21Å; I280-S282 VanDerWaalsContact C-N 3.34Å; I280-S282 PolarHBondContact O-N 2.95Å; S282-I284 PolarHBondContact O-N 2.96Å; S282-V285 PolarHBondContact O-N 3.41Å; S282-N286 WeakPolarHBondContact O-CB 3.29Å; S282-N286 VanDerWaalsContact O-CG 3.3Å; S282-N286 PolarHBondContact O-N 3Å; S282-N286 PolarHBondContact O-ND2 3.16Å; S282-N286 PolarHBondContact OG-ND2 3.17Å
283	S	91.6	Very high	82.9	Confident	28 Å²	28	55.5 Å²	55.5	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-63.4	-40.2	179.3	-64.2	0	0	0	0	112.6	E279 I280 G287 Q288	E279-S283 WeakPolarHBondContact O-CB 3.46Å; E279-S283 PolarHBondContact O-N 2.93Å; E279-S283 PolarHBondContact O-OG 3.17Å; I280-S283 PolarHBondContact O-N 3.3Å; S283-G287 CarbonylContact O-C 3.59Å; S283-G287 WeakPolarHBondContact O-CA 3.36Å; S283-G287 PolarHBondContact O-N 3.39Å; S283-Q288 PolarHBondContact O-N 3.23Å
284	I	92.8	Very high	82.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-51.1	174.3	-71.6	168	0	0	0	110.5	I237 P242 V245 W257 F273 I280 F281 S282 N286 G287	I237-I284 WeakPolarHBondContact O-CD1 3.49Å; P242-I284 HydrophobicContact CB-CG2 4.3Å; P242-I284 HydrophobicContact CG-CG2 3.92Å; V245-I284 HydrophobicContact CG2-CB 4.49Å; V245-I284 HydrophobicContact CG2-CD1 4.38Å; V245-I284 HydrophobicContact CG2-CG2 3.88Å; W257-I284 HydrophobicContact CZ2-CG2 3.9Å; F273-I284 HydrophobicContact CD1-CG1 4.35Å; F273-I284 HydrophobicContact CD2-CD1 4.27Å; F273-I284 HydrophobicContact CD2-CG1 3.57Å; F273-I284 HydrophobicContact CE1-CG1 4.42Å; F273-I284 HydrophobicContact CE2-CG1 3.67Å; F273-I284 HydrophobicContact CG-CG1 3.94Å; F273-I284 HydrophobicContact CZ-CG1 4.11Å; I280-I284 HydrophobicContact CG2-CD1 3.58Å; I280-I284 HydrophobicContact CG2-CG1 4.24Å; I280-I284 WeakPolarHBondContact O-CB 3.31Å; I280-I284 VanDerWaalsContact O-CG1 3.23Å; I280-I284 WeakPolarHBondContact O-CG1 3.31Å; I280-I284 PolarHBondContact O-N 2.97Å; F281-I284 PolarHBondContact O-N 3.4Å; S282-I284 PolarHBondContact O-N 2.96Å; I284-N286 VanDerWaalsContact C-N 3.27Å; I284-N286 PolarHBondContact O-N 3.03Å; I284-G287 PolarHBondContact O-N 3.42Å; I284-G287 VanDerWaalsContact O-N 3.14Å
285	V	93.2	Very high	82.2	Confident	39 Å²	39	60 Å²	60	24%	0.236	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-36.7	-177.2	164.2	0	0	0	0	111.9	V245 K246 F281 S282	V245-V285 HydrophobicContact CB-CG2 4.07Å; V245-V285 HydrophobicContact CG1-CG2 3.66Å; K246-V285 VanDerWaalsContact CE-CG1 3.47Å; K246-V285 HydrophobicContact CG-CG2 4Å; F281-V285 WeakPolarHBondContact O-CB 3.39Å; F281-V285 VanDerWaalsContact O-CG2 3.3Å; F281-V285 WeakPolarHBondContact O-CG2 3.45Å; F281-V285 PolarHBondContact O-N 3.3Å; S282-V285 PolarHBondContact O-N 3.41Å
286	N	92.6	Very high	83.2	Confident	91 Å²	91	59.5 Å²	59.5	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-87.3	-7.1	179.2	-64.8	-41.6	0	0	0	113.4	S282 I284 Q288	S282-N286 WeakPolarHBondContact O-CB 3.29Å; S282-N286 VanDerWaalsContact O-CG 3.3Å; S282-N286 PolarHBondContact O-N 3Å; S282-N286 PolarHBondContact O-ND2 3.16Å; S282-N286 PolarHBondContact OG-ND2 3.17Å; I284-N286 VanDerWaalsContact C-N 3.27Å; I284-N286 PolarHBondContact O-N 3.03Å; N286-Q288 VanDerWaalsContact C-N 3.28Å; N286-Q288 HydrophobicContact CB-CG 3.77Å; N286-Q288 PolarHBondContact O-N 2.77Å
287	G	89.3	Confident	84	Confident	21 Å²	21	63.6 Å²	63.6	22%	0.216	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	31.3	-176.1	0	0	0	0	0	113.7	S283 I284 Y289	S283-G287 CarbonylContact O-C 3.59Å; S283-G287 WeakPolarHBondContact O-CA 3.36Å; S283-G287 PolarHBondContact O-N 3.39Å; I284-G287 PolarHBondContact O-N 3.42Å; I284-G287 VanDerWaalsContact O-N 3.14Å; G287-Y289 PolarHBondContact O-N 3.37Å
288	Q	88.8	Confident	84.7	Confident	123 Å²	123	66.9 Å²	66.9	58%	0.575	33%	0.333	S	S	*	.			trans	-92.5	95.4	-175.2	-68.7	177	-3.7	0	0	110.3	F273 S283 N286	F273-Q288 WeakPolarHBondContact CE1-O 3.47Å; S283-Q288 PolarHBondContact O-N 3.23Å; N286-Q288 VanDerWaalsContact C-N 3.28Å; N286-Q288 HydrophobicContact CB-CG 3.77Å; N286-Q288 PolarHBondContact O-N 2.77Å
289	Y	89.2	Confident	85.4	Confident	51 Å²	51	61.3 Å²	61.3	20%	0.2	31%	0.307	C	S	.	.			trans	-135.5	156	170.8	59.5	-91.2	0	0	0	109.9	F264 P272 F273 G287 M291 L311	F264-Y289 HydrophobicContact CE2-CD2 4.15Å; P272-Y289 HydrophobicContact CB-CG 4.33Å; P272-Y289 WeakPolarHBondContact O-CB 3.27Å; F273-Y289 HydrophobicContact CE1-CD1 4.06Å; F273-Y289 HydrophobicContact CE1-CG 4.39Å; F273-Y289 HydrophobicContact CZ-CD1 4.01Å; G287-Y289 PolarHBondContact O-N 3.37Å; Y289-M291 HydrophobicContact CD2-CE 4.48Å; Y289-M291 HydrophobicContact CD2-CG 4.47Å; Y289-M291 HydrophobicContact CE2-CE 3.71Å; Y289-M291 HydrophobicContact CE2-CG 4.43Å; Y289-L311 HydrophobicContact CD1-CD1 4.48Å; Y289-L311 HydrophobicContact CE1-CB 3.77Å; Y289-L311 HydrophobicContact CE1-CD1 4.17Å; Y289-L311 HydrophobicContact CE2-CD1 4.29Å
290	K	84.6	Confident	86	Confident	113 Å²	113	57.1 Å²	57.1	49%	0.491	29%	0.289	S	S	.	.			trans	-119.1	132.9	-178.1	-63.3	-179.9	-174.9	173.5	0	111.1	Q292	K290-Q292 HydrophobicContact CB-CG 4.4Å
291	M	86	Confident	86.5	Confident	43 Å²	43	62.7 Å²	62.7	21%	0.212	32%	0.319	C	S	.	.			trans	-104.6	56.9	171.2	-64.5	-174.2	-174.9	0	0	110.6	F264 Y289 W296 K304 V307 V308	F264-M291 HydrophobicContact CD2-CE 4.49Å; F264-M291 HydrophobicContact CE2-CG 3.95Å; Y289-M291 HydrophobicContact CD2-CE 4.48Å; Y289-M291 HydrophobicContact CD2-CG 4.47Å; Y289-M291 HydrophobicContact CE2-CE 3.71Å; Y289-M291 HydrophobicContact CE2-CG 4.43Å; M291-W296 VanDerWaalsContact C-CD1 3.49Å; M291-W296 HydrophobicContact CB-CD2 3.77Å; M291-W296 HydrophobicContact CB-CE3 4.18Å; M291-W296 HydrophobicContact CB-CG 3.88Å; M291-W296 HydrophobicContact CE-CH2 4.17Å; M291-W296 HydrophobicContact CE-CZ3 4.4Å; M291-W296 HydrophobicContact CG-CD2 4.03Å; M291-W296 HydrophobicContact CG-CE3 4.24Å; M291-W296 HydrophobicContact CG-CH2 4.23Å; M291-W296 HydrophobicContact CG-CZ2 4.02Å; M291-W296 HydrophobicContact CG-CZ3 4.32Å; M291-W296 HydrophobicContact SD-CD2 4.41Å; M291-W296 HydrophobicContact SD-CE3 4.01Å; M291-W296 HydrophobicContact SD-CH2 4Å; M291-W296 HydrophobicContact SD-CZ2 4.4Å; M291-W296 HydrophobicContact SD-CZ3 3.77Å; M291-K304 HydrophobicContact SD-CB 4.34Å; M291-K304 HydrophobicContact SD-CG 4.21Å; M291-V307 HydrophobicContact CE-CB 3.75Å; M291-V307 HydrophobicContact CE-CG1 3.34Å; M291-V308 HydrophobicContact CE-CG2 3.75Å; M291-V308 HydrophobicContact SD-CG2 4.46Å
292	Q	70.2	Confident	86.9	Confident	151 Å²	151	65.1 Å²	65.1	71%	0.706	33%	0.33	S	S	*	.			trans	-121.6	-7.2	-168.2	-67.3	-179.2	-5.4	0	0	114.7	K290	K290-Q292 HydrophobicContact CB-CG 4.4Å
293	N	69.3	Low	87.1	Confident	47 Å²	47	62.3 Å²	62.3	25%	0.251	31%	0.31	S	S	.	.	S	Bend	trans	-67.7	166	177.4	75.4	6	0	0	0	111.2	T270 S295 W296	T270-N293 PolarHBondContact OG1-ND2 3.49Å; N293-S295 VanDerWaalsContact CG-OG 3.32Å; N293-S295 PolarHBondContact ND2-OG 3.22Å; N293-S295 PolarHBondContact O-N 3.35Å; N293-S295 VanDerWaalsContact O-N 3.14Å; N293-S295 PolarHBondContact OD1-N 3.23Å; N293-S295 PolarHBondContact OD1-OG 3.03Å; N293-W296 PolarHBondContact O-N 3.03Å; N293-W296 VanDerWaalsContact O-N 3.09Å; N293-W296 PolarHBondContact OD1-N 3.16Å
294	K	72.5	Confident	87.3	Confident	157 Å²	157	63.3 Å²	63.3	68%	0.683	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-56.4	-32.7	-175.3	-69.3	-178	179.9	177.1	0	113.3	W296 N297	K294-W296 VanDerWaalsContact C-N 3.34Å; K294-W296 PolarHBondContact O-N 3.47Å; K294-N297 WeakPolarHBondContact O-CB 3.43Å; K294-N297 PolarHBondContact O-N 3.47Å
295	S	74.6	Confident	87.5	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.007	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-65.3	-35.7	-180	46	0	0	0	0	112.1	S268 N293 N297 Q298 I299	S268-S295 WeakPolarHBondContact CA-OG 3.26Å; S268-S295 PolarHBondContact O-OG 3.46Å; N293-S295 VanDerWaalsContact CG-OG 3.32Å; N293-S295 PolarHBondContact ND2-OG 3.22Å; N293-S295 PolarHBondContact O-N 3.35Å; N293-S295 VanDerWaalsContact O-N 3.14Å; N293-S295 PolarHBondContact OD1-N 3.23Å; N293-S295 PolarHBondContact OD1-OG 3.03Å; S295-N297 PolarHBondContact O-N 3.34Å; S295-Q298 PolarHBondContact O-N 2.92Å; S295-I299 WeakPolarHBondContact O-CG1 3.46Å
296	W	88	Confident	87.8	Confident	1 Å²	1	64.4 Å²	64.4	0%	0.004	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-65.6	-17.3	177.6	-72.9	108.4	0	0	0	115	F264 L267 M291 N293 K294 Q298 I299 K304 V307	F264-W296 HydrophobicContact CD1-CZ2 4.07Å; F264-W296 HydrophobicContact CD2-CH2 4.01Å; F264-W296 AromaticContact CD2-CZ2 3.47Å; F264-W296 HydrophobicContact CD2-CZ2 3.47Å; F264-W296 VanDerWaalsContact CD2-CZ2 3.47Å; F264-W296 HydrophobicContact CE1-CZ2 4.03Å; F264-W296 AromaticContact CE2-CE2 4Å; F264-W296 HydrophobicContact CE2-CH2 4.27Å; F264-W296 AromaticContact CE2-CZ2 3.41Å; F264-W296 HydrophobicContact CE2-CZ2 3.41Å; F264-W296 VanDerWaalsContact CE2-CZ2 3.41Å; F264-W296 HydrophobicContact CG-CH2 4.4Å; F264-W296 AromaticContact CG-CZ2 3.8Å; F264-W296 HydrophobicContact CG-CZ2 3.8Å; F264-W296 AromaticContact CZ-CE2 3.98Å; F264-W296 AromaticContact CZ-CZ2 3.71Å; F264-W296 HydrophobicContact CZ-CZ2 3.71Å; F264-W296 AromaticContact CZ-NE1 3.69Å; L267-W296 HydrophobicContact CB-CH2 4.26Å; L267-W296 HydrophobicContact CD1-CH2 4.22Å; L267-W296 HydrophobicContact CD1-CZ3 4.3Å; M291-W296 VanDerWaalsContact C-CD1 3.49Å; M291-W296 HydrophobicContact CB-CD2 3.77Å; M291-W296 HydrophobicContact CB-CE3 4.18Å; M291-W296 HydrophobicContact CB-CG 3.88Å; M291-W296 HydrophobicContact CE-CH2 4.17Å; M291-W296 HydrophobicContact CE-CZ3 4.4Å; M291-W296 HydrophobicContact CG-CD2 4.03Å; M291-W296 HydrophobicContact CG-CE3 4.24Å; M291-W296 HydrophobicContact CG-CH2 4.23Å; M291-W296 HydrophobicContact CG-CZ2 4.02Å; M291-W296 HydrophobicContact CG-CZ3 4.32Å; M291-W296 HydrophobicContact SD-CD2 4.41Å; M291-W296 HydrophobicContact SD-CE3 4.01Å; M291-W296 HydrophobicContact SD-CH2 4Å; M291-W296 HydrophobicContact SD-CZ2 4.4Å; M291-W296 HydrophobicContact SD-CZ3 3.77Å; N293-W296 PolarHBondContact O-N 3.03Å; N293-W296 VanDerWaalsContact O-N 3.09Å; N293-W296 PolarHBondContact OD1-N 3.16Å; K294-W296 VanDerWaalsContact C-N 3.34Å; K294-W296 PolarHBondContact O-N 3.47Å; W296-Q298 VanDerWaalsContact C-N 3.26Å; W296-Q298 PolarHBondContact O-N 3.15Å; W296-I299 HydrophobicContact CE3-CB 3.98Å; W296-I299 HydrophobicContact CE3-CG1 4.07Å; W296-I299 HydrophobicContact CE3-CG2 4.01Å; W296-I299 HydrophobicContact CZ3-CB 4.44Å; W296-I299 HydrophobicContact CZ3-CG2 3.97Å; W296-I299 PolarHBondContact O-N 3.5Å; W296-K304 HydrophobicContact CE3-CG 3.87Å; W296-K304 HydrophobicContact CZ3-CG 3.92Å; W296-K304 WeakPolarHBondContact O-CE 3.43Å; W296-K304 PolarHBondContact O-NZ 3.45Å; W296-V307 HydrophobicContact CH2-CG2 4.36Å
297	N	85.3	Confident	88	Confident	129 Å²	129	60 Å²	60	69%	0.69	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-66.7	-29.4	178.2	-70	-22.3	0	0	0	112.5	K294 S295	K294-N297 WeakPolarHBondContact O-CB 3.43Å; K294-N297 PolarHBondContact O-N 3.47Å; S295-N297 PolarHBondContact O-N 3.34Å
298	Q	85.9	Confident	88.4	Confident	78 Å²	78	62.1 Å²	62.1	36%	0.364	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-11.5	-179.6	-62.6	176.3	8.9	0	0	112.6	S295 W296 Q338 L342 D344	S295-Q298 PolarHBondContact O-N 2.92Å; W296-Q298 VanDerWaalsContact C-N 3.26Å; W296-Q298 PolarHBondContact O-N 3.15Å; Q298-Q338 PolarHBondContact O-OE1 3.24Å; Q298-Q338 VanDerWaalsContact O-OE1 3.13Å; Q298-L342 HydrophobicContact CB-CD2 4.47Å; Q298-D344 PolarHBondContact NE2-OD2 3.45Å
299	I	93.1	Very high	88.8	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	29%	0.289	C	S	.	.	S	Bend	trans	-80.9	132.8	-177	-55.4	-53.7	0	0	0	111.2	E168 L267 S295 W296 A303 K304 L342	E168-I299 HydrophobicContact CG-CD1 4.37Å; E168-I299 WeakPolarHBondContact OE1-CA 3.47Å; L267-I299 HydrophobicContact CB-CD1 4.31Å; L267-I299 HydrophobicContact CD1-CG2 4.33Å; L267-I299 HydrophobicContact CD2-CD1 4.05Å; L267-I299 HydrophobicContact CD2-CG2 4.23Å; S295-I299 WeakPolarHBondContact O-CG1 3.46Å; W296-I299 HydrophobicContact CE3-CB 3.98Å; W296-I299 HydrophobicContact CE3-CG1 4.07Å; W296-I299 HydrophobicContact CE3-CG2 4.01Å; W296-I299 HydrophobicContact CZ3-CB 4.44Å; W296-I299 HydrophobicContact CZ3-CG2 3.97Å; W296-I299 PolarHBondContact O-N 3.5Å; I299-A303 HydrophobicContact CG2-CB 3.52Å; I299-K304 HydrophobicContact CG2-CG 4.24Å; I299-K304 WeakPolarHBondContact O-CE 3.44Å; I299-K304 PolarHBondContact O-NZ 3.28Å; I299-L342 HydrophobicContact CD1-CD1 3.84Å; I299-L342 HydrophobicContact CD1-CD2 3.69Å; I299-L342 HydrophobicContact CD1-CG 4.42Å
300	S	94.4	Very high	89.2	Confident	10 Å²	10	57.7 Å²	57.7	7%	0.07	28%	0.28	C	S	.	.			trans	-61.1	152	179.7	75	0	0	0	0	113.5	E168 F302 A303 K304	E168-S300 WeakPolarHBondContact OE1-CB 3.31Å; E168-S300 PolarHBondContact OE1-N 2.77Å; E168-S300 WeakPolarHBondContact OE2-CB 3.29Å; E168-S300 PolarHBondContact OE2-OG 2.9Å; S300-F302 PolarHBondContact O-N 3.05Å; S300-A303 PolarHBondContact O-N 3.41Å; S300-A303 WeakPolarHBondContact OG-CB 3.23Å; S300-A303 PolarHBondContact OG-N 3.39Å; S300-A303 VanDerWaalsContact OG-N 3.11Å; S300-K304 WeakPolarHBondContact O-CG 3.49Å; S300-K304 PolarHBondContact O-N 3.05Å
301	D	94.8	Very high	89.8	Confident	129 Å²	129	52.5 Å²	52.5	69%	0.69	26%	0.257	S	S	*	.	H	α-helix	trans	-63	-30.7	175	-65.4	-29.4	0	0	0	112	K304 D305	D301-K304 PolarHBondContact O-N 3.26Å; D301-D305 WeakPolarHBondContact O-CB 3.19Å; D301-D305 PolarHBondContact O-N 2.86Å
302	F	97	Very high	90.3	Very high	92 Å²	92	52.2 Å²	52.2	40%	0.404	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-40.2	174.7	-69.7	-70.7	0	0	0	112.6	S300 F306 H327 P328 W329 C336	S300-F302 PolarHBondContact O-N 3.05Å; F302-F306 WeakPolarHBondContact O-CB 3.1Å; F302-F306 PolarHBondContact O-N 3.31Å; F302-H327 PolarHBondContact O-CE1 2.79Å; F302-P328 HydrophobicContact CD1-CB 3.93Å; F302-P328 HydrophobicContact CE1-CB 4.02Å; F302-W329 HydrophobicContact CB-CB 4.09Å; F302-W329 HydrophobicContact CB-CG 4.37Å; F302-C336 HydrophobicContact CB-CB 4.17Å; F302-C336 HydrophobicContact CD1-CB 4.35Å; F302-C336 HydrophobicContact CD2-CB 3.79Å; F302-C336 HydrophobicContact CE2-CB 4.23Å; F302-C336 HydrophobicContact CG-CB 3.86Å
303	A	96.6	Very high	91.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-43.6	174.5	0	0	0	0	0	111.5	E168 L267 I299 S300 F306 V307 W329	E168-A303 WeakPolarHBondContact OE2-CB 3.49Å; L267-A303 HydrophobicContact CD1-CB 4.05Å; L267-A303 HydrophobicContact CD2-CB 4.42Å; I299-A303 HydrophobicContact CG2-CB 3.52Å; S300-A303 PolarHBondContact O-N 3.41Å; S300-A303 WeakPolarHBondContact OG-CB 3.23Å; S300-A303 PolarHBondContact OG-N 3.39Å; S300-A303 VanDerWaalsContact OG-N 3.11Å; A303-F306 WeakPolarHBondContact O-CB 3.5Å; A303-F306 PolarHBondContact O-N 3.13Å; A303-V307 WeakPolarHBondContact O-CG2 3.33Å; A303-V307 PolarHBondContact O-N 2.97Å; A303-W329 HydrophobicContact CB-CD2 4.18Å; A303-W329 HydrophobicContact CB-CG 4.42Å; A303-W329 HydrophobicContact CB-CZ2 3.91Å
304	K	96.3	Very high	92.8	Very high	49 Å²	49	47.2 Å²	47.2	21%	0.213	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-48.8	176.1	-71.8	167.4	177.6	156.8	0	111.4	M291 W296 I299 S300 D301 F306 V307 V308	M291-K304 HydrophobicContact SD-CB 4.34Å; M291-K304 HydrophobicContact SD-CG 4.21Å; W296-K304 HydrophobicContact CE3-CG 3.87Å; W296-K304 HydrophobicContact CZ3-CG 3.92Å; W296-K304 WeakPolarHBondContact O-CE 3.43Å; W296-K304 PolarHBondContact O-NZ 3.45Å; I299-K304 HydrophobicContact CG2-CG 4.24Å; I299-K304 WeakPolarHBondContact O-CE 3.44Å; I299-K304 PolarHBondContact O-NZ 3.28Å; S300-K304 WeakPolarHBondContact O-CG 3.49Å; S300-K304 PolarHBondContact O-N 3.05Å; D301-K304 PolarHBondContact O-N 3.26Å; K304-F306 VanDerWaalsContact C-N 3.32Å; K304-F306 PolarHBondContact O-N 3.12Å; K304-V307 PolarHBondContact O-N 2.58Å; K304-V308 WeakPolarHBondContact O-CG2 3.34Å; K304-V308 PolarHBondContact O-N 2.88Å
305	D	97.1	Very high	93.9	Very high	62 Å²	62	41.5 Å²	41.5	33%	0.332	22%	0.218	S	C	.	.	H	α-helix	trans	-59.7	-41.3	177	179.4	57	0	0	0	111.9	D301 V307 V308 K309 H327	D301-D305 WeakPolarHBondContact O-CB 3.19Å; D301-D305 PolarHBondContact O-N 2.86Å; D305-V307 PolarHBondContact O-N 3.05Å; D305-V308 PolarHBondContact O-N 2.9Å; D305-K309 VanDerWaalsContact CG-NZ 3.33Å; D305-K309 WeakPolarHBondContact O-CB 3.44Å; D305-K309 WeakPolarHBondContact O-CG 3.4Å; D305-K309 PolarHBondContact O-N 3.4Å; D305-K309 WeakPolarHBondContact OD1-CE 3.45Å; D305-K309 IonicContact OD1-NZ 2.85Å; D305-K309 PolarHBondContact OD1-NZ 3.34Å; D305-K309 WeakPolarHBondContact OD2-CE 3.18Å; D305-K309 IonicContact OD2-NZ 3.28Å; D305-K309 PolarHBondContact OD2-NZ 3.15Å; D305-H327 IonicContact OD2-CE1 2.94Å; D305-H327 PolarHBondContact OD2-CE1 3.01Å; D305-H327 IonicContact OD2-NE2 2.64Å; D305-H327 PolarHBondContact OD2-NE2 2.82Å
306	F	98.1	Very high	94.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-47.7	174.7	-174.1	-104.5	0	0	0	112	V175 L179 V263 F302 A303 K304 L310 M319 A324 H327 W329 I330	V175-F306 HydrophobicContact CG1-CE1 3.96Å; V175-F306 HydrophobicContact CG1-CZ 4.1Å; L179-F306 HydrophobicContact CD1-CZ 4.16Å; V263-F306 HydrophobicContact CG1-CD1 4.22Å; V263-F306 HydrophobicContact CG1-CE1 4.43Å; V263-F306 HydrophobicContact CG2-CE1 4.1Å; F302-F306 WeakPolarHBondContact O-CB 3.1Å; F302-F306 PolarHBondContact O-N 3.31Å; A303-F306 WeakPolarHBondContact O-CB 3.5Å; A303-F306 PolarHBondContact O-N 3.13Å; K304-F306 VanDerWaalsContact C-N 3.32Å; K304-F306 PolarHBondContact O-N 3.12Å; F306-L310 HydrophobicContact CD1-CD1 3.81Å; F306-L310 HydrophobicContact CE1-CD1 3.35Å; F306-L310 HydrophobicContact CE1-CG 4.41Å; F306-L310 HydrophobicContact CE2-CD1 4.48Å; F306-L310 HydrophobicContact CZ-CD1 3.74Å; F306-L310 WeakPolarHBondContact O-CG 2.99Å; F306-L310 PolarHBondContact O-N 2.56Å; F306-L310 VanDerWaalsContact O-N 3.16Å; F306-M319 HydrophobicContact CD2-CE 4.31Å; F306-M319 HydrophobicContact CD2-SD 4.38Å; F306-M319 HydrophobicContact CE2-SD 4.23Å; F306-A324 HydrophobicContact CE2-CB 3.95Å; F306-A324 HydrophobicContact CZ-CB 4.21Å; F306-H327 HydrophobicContact CD2-CB 3.67Å; F306-H327 AromaticContact CD2-CG 3.47Å; F306-H327 VanDerWaalsContact CD2-CG 3.47Å; F306-H327 AromaticContact CD2-ND1 3.47Å; F306-H327 WeakPolarHBondContact CD2-ND1 2.91Å; F306-H327 HydrophobicContact CE2-CB 3.88Å; F306-W329 HydrophobicContact CB-CB 4.48Å; F306-W329 HydrophobicContact CB-CE3 4.13Å; F306-W329 AromaticContact CD1-CE3 3.57Å; F306-W329 HydrophobicContact CD1-CE3 3.57Å; F306-W329 AromaticContact CD1-CZ3 3.66Å; F306-W329 HydrophobicContact CD1-CZ3 3.66Å; F306-W329 HydrophobicContact CD2-CE3 4.47Å; F306-W329 HydrophobicContact CE1-CE3 4.04Å; F306-W329 AromaticContact CE1-CZ3 3.93Å; F306-W329 HydrophobicContact CE1-CZ3 3.93Å; F306-W329 AromaticContact CG-CE3 3.8Å; F306-W329 HydrophobicContact CG-CE3 3.8Å; F306-W329 HydrophobicContact CG-CZ3 4.36Å; F306-I330 HydrophobicContact CD2-CG1 4.34Å; F306-I330 HydrophobicContact CE1-CD1 4.49Å; F306-I330 HydrophobicContact CE2-CD1 4.42Å; F306-I330 HydrophobicContact CE2-CG1 3.69Å; F306-I330 HydrophobicContact CZ-CD1 4.12Å; F306-I330 HydrophobicContact CZ-CG1 3.85Å
307	V	97.4	Very high	95.2	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-45.2	178.2	174.1	0	0	0	0	111.5	V263 F264 L267 M291 W296 A303 K304 D305 K309 L310 L311	V263-V307 HydrophobicContact CB-CG2 4.24Å; V263-V307 HydrophobicContact CG1-CG2 3.59Å; F264-V307 HydrophobicContact CB-CG1 4.3Å; F264-V307 HydrophobicContact CD2-CG1 3.99Å; L267-V307 HydrophobicContact CD1-CG2 3.85Å; M291-V307 HydrophobicContact CE-CB 3.75Å; M291-V307 HydrophobicContact CE-CG1 3.34Å; W296-V307 HydrophobicContact CH2-CG2 4.36Å; A303-V307 WeakPolarHBondContact O-CG2 3.33Å; A303-V307 PolarHBondContact O-N 2.97Å; K304-V307 PolarHBondContact O-N 2.58Å; D305-V307 PolarHBondContact O-N 3.05Å; V307-K309 VanDerWaalsContact C-N 3.32Å; V307-K309 PolarHBondContact O-N 2.86Å; V307-L310 PolarHBondContact O-N 2.67Å; V307-L310 VanDerWaalsContact O-N 3.17Å; V307-L311 HydrophobicContact CG1-CD1 3.73Å; V307-L311 HydrophobicContact CG1-CG 4.2Å; V307-L311 WeakPolarHBondContact O-CB 3.37Å; V307-L311 WeakPolarHBondContact O-CG 3.38Å; V307-L311 PolarHBondContact O-N 2.77Å
308	V	96.8	Very high	95.8	Very high	64 Å²	64	54.4 Å²	54.4	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-59.1	-43.2	179.5	169.1	0	0	0	0	111.6	M291 K304 D305 L310 L311 T312	M291-V308 HydrophobicContact CE-CG2 3.75Å; M291-V308 HydrophobicContact SD-CG2 4.46Å; K304-V308 WeakPolarHBondContact O-CG2 3.34Å; K304-V308 PolarHBondContact O-N 2.88Å; D305-V308 PolarHBondContact O-N 2.9Å; V308-L310 VanDerWaalsContact C-N 3.34Å; V308-L310 PolarHBondContact O-N 3.07Å; V308-L311 CarbonylContact O-C 3.57Å; V308-L311 PolarHBondContact O-N 3.47Å; V308-T312 PolarHBondContact O-N 2.93Å; V308-T312 PolarHBondContact O-OG1 2.97Å
309	K	97.9	Very high	96.3	Very high	81 Å²	81	51.2 Å²	51.2	35%	0.352	24%	0.242	S	C	.	.	H	α-helix	trans	-71.3	-26.8	179.3	-72.7	176.9	-178.9	156.9	0	113.3	D305 V307 T312 M319	D305-K309 VanDerWaalsContact CG-NZ 3.33Å; D305-K309 WeakPolarHBondContact O-CB 3.44Å; D305-K309 WeakPolarHBondContact O-CG 3.4Å; D305-K309 PolarHBondContact O-N 3.4Å; D305-K309 WeakPolarHBondContact OD1-CE 3.45Å; D305-K309 IonicContact OD1-NZ 2.85Å; D305-K309 PolarHBondContact OD1-NZ 3.34Å; D305-K309 WeakPolarHBondContact OD2-CE 3.18Å; D305-K309 IonicContact OD2-NZ 3.28Å; D305-K309 PolarHBondContact OD2-NZ 3.15Å; V307-K309 VanDerWaalsContact C-N 3.32Å; V307-K309 PolarHBondContact O-N 2.86Å; K309-T312 PolarHBondContact O-OG1 2.77Å; K309-M319 HydrophobicContact CB-CB 4.22Å; K309-M319 HydrophobicContact CB-CE 3.2Å; K309-M319 HydrophobicContact CD-CE 3.36Å; K309-M319 HydrophobicContact CG-CE 3.92Å; K309-M319 PolarHBondContact O-N 3.12Å
310	L	97.9	Very high	96.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-77.5	-37.5	170.5	-71.8	175.5	0	0	0	112.5	M256 V259 V263 F306 V307 V308 T312 R318 M319	M256-L310 HydrophobicContact CB-CD2 4.21Å; M256-L310 HydrophobicContact CE-CD2 3.38Å; V259-L310 HydrophobicContact CG1-CD1 4.1Å; V263-L310 HydrophobicContact CG2-CD1 4.49Å; F306-L310 HydrophobicContact CD1-CD1 3.81Å; F306-L310 HydrophobicContact CE1-CD1 3.35Å; F306-L310 HydrophobicContact CE1-CG 4.41Å; F306-L310 HydrophobicContact CE2-CD1 4.48Å; F306-L310 HydrophobicContact CZ-CD1 3.74Å; F306-L310 WeakPolarHBondContact O-CG 2.99Å; F306-L310 PolarHBondContact O-N 2.56Å; F306-L310 VanDerWaalsContact O-N 3.16Å; V307-L310 PolarHBondContact O-N 2.67Å; V307-L310 VanDerWaalsContact O-N 3.17Å; V308-L310 VanDerWaalsContact C-N 3.34Å; V308-L310 PolarHBondContact O-N 3.07Å; L310-T312 PolarHBondContact O-N 3.23Å; L310-R318 WeakPolarHBondContact O-CD 3.27Å; L310-R318 WeakPolarHBondContact O-CG 3.32Å; L310-M319 HydrophobicContact CD2-CB 4.27Å
311	L	97.2	Very high	96.7	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	26%	0.258	C	S	.	.	S	Bend	trans	-90.3	29.4	178.1	-61.3	-175.9	0	0	0	112.9	W257 I261 F264 Y289 V307 V308	W257-L311 HydrophobicContact CD2-CD2 4.01Å; W257-L311 HydrophobicContact CE3-CD2 4.18Å; W257-L311 HydrophobicContact CG-CD2 4.46Å; W257-L311 HydrophobicContact CZ2-CD2 4.46Å; W257-L311 HydrophobicContact CZ3-CB 4.37Å; W257-L311 WeakPolarHBondContact CZ3-O 3.42Å; I261-L311 HydrophobicContact CD1-CD1 4.32Å; I261-L311 HydrophobicContact CD1-CD2 3.52Å; I261-L311 HydrophobicContact CG1-CD2 4.03Å; F264-L311 HydrophobicContact CD2-CD1 4.24Å; Y289-L311 HydrophobicContact CD1-CD1 4.48Å; Y289-L311 HydrophobicContact CE1-CB 3.77Å; Y289-L311 HydrophobicContact CE1-CD1 4.17Å; Y289-L311 HydrophobicContact CE2-CD1 4.29Å; V307-L311 HydrophobicContact CG1-CD1 3.73Å; V307-L311 HydrophobicContact CG1-CG 4.2Å; V307-L311 WeakPolarHBondContact O-CB 3.37Å; V307-L311 WeakPolarHBondContact O-CG 3.38Å; V307-L311 PolarHBondContact O-N 2.77Å; V308-L311 CarbonylContact O-C 3.57Å; V308-L311 PolarHBondContact O-N 3.47Å
312	T	97.2	Very high	96.8	Very high	38 Å²	38	51.3 Å²	51.3	23%	0.233	25%	0.247	C	C	.	.			trans	-76.8	124.7	172.1	-65.6	0	0	0	0	109.9	V308 K309 L310 R317 R318	V308-T312 PolarHBondContact O-N 2.93Å; V308-T312 PolarHBondContact O-OG1 2.97Å; K309-T312 PolarHBondContact O-OG1 2.77Å; L310-T312 PolarHBondContact O-N 3.23Å; T312-R317 HydrophobicContact CG2-CB 3.89Å; T312-R318 PolarHBondContact O-NE 2.85Å; T312-R318 PolarHBondContact O-NH2 3.44Å
313	V	96.3	Very high	96.8	Very high	47 Å²	47	51.7 Å²	51.7	29%	0.285	25%	0.25	S	S	.	.	S	Bend	trans	-62.8	-46.5	-173.9	176.8	0	0	0	0	112.3	P242 S315 R318	P242-V313 HydrophobicContact CB-CG1 4.04Å; P242-V313 HydrophobicContact CG-CB 4.5Å; P242-V313 HydrophobicContact CG-CG1 4.05Å; V313-S315 PolarHBondContact O-N 2.91Å; V313-S315 VanDerWaalsContact O-N 3.13Å; V313-R318 PolarHBondContact O-NH2 3.16Å; V313-R318 VanDerWaalsContact O-NH2 3.12Å
314	D	95.2	Very high	96.9	Very high	45 Å²	45	51.7 Å²	51.7	24%	0.241	25%	0.25	C	S	.	.	S	Bend	trans	-69.3	110.1	175.9	-174.2	-12.8	0	0	0	109.9	R316 R317 R318	D314-R316 PolarHBondContact O-N 3.24Å; D314-R316 VanDerWaalsContact O-N 3.07Å; D314-R316 WeakPolarHBondContact OD1-CB 3.38Å; D314-R316 IonicContact OD1-CZ 3.97Å; D314-R316 PolarHBondContact OD1-N 3.35Å; D314-R316 IonicContact OD1-NE 3.67Å; D314-R316 PolarHBondContact OD1-NE 2.96Å; D314-R316 IonicContact OD1-NH2 3.63Å; D314-R316 IonicContact OD2-CZ 2.55Å; D314-R316 IonicContact OD2-NE 3.73Å; D314-R316 IonicContact OD2-NH2 3.23Å; D314-R316 PolarHBondContact OD2-NH2 2.85Å; D314-R317 HydrophobicContact CB-CB 4.31Å; D314-R317 HydrophobicContact CB-CG 4.29Å; D314-R317 PolarHBondContact O-N 2.89Å; D314-R317 IonicContact OD2-NE 3.92Å; D314-R318 PolarHBondContact O-N 2.98Å
315	S	94.4	Very high	97	Very high	37 Å²	37	51.2 Å²	51.2	26%	0.259	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.5	-178.6	62.6	0	0	0	0	113.6	E243 V313	E243-S315 WeakPolarHBondContact OE1-CB 3.17Å; V313-S315 PolarHBondContact O-N 2.91Å; V313-S315 VanDerWaalsContact O-N 3.13Å
316	R	94	Very high	97	Very high	194 Å²	194	55.3 Å²	55.3	73%	0.732	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-23.6	177.5	-59.4	169.9	-65.3	-179.1	3.9	113.2	D314	D314-R316 PolarHBondContact O-N 3.24Å; D314-R316 VanDerWaalsContact O-N 3.07Å; D314-R316 WeakPolarHBondContact OD1-CB 3.38Å; D314-R316 IonicContact OD1-CZ 3.97Å; D314-R316 PolarHBondContact OD1-N 3.35Å; D314-R316 IonicContact OD1-NE 3.67Å; D314-R316 PolarHBondContact OD1-NE 2.96Å; D314-R316 IonicContact OD1-NH2 3.63Å; D314-R316 IonicContact OD2-CZ 2.55Å; D314-R316 IonicContact OD2-NE 3.73Å; D314-R316 IonicContact OD2-NH2 3.23Å; D314-R316 PolarHBondContact OD2-NH2 2.85Å
317	R	96.3	Very high	97	Very high	198 Å²	198	55.8 Å²	55.8	75%	0.747	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-16.9	178.8	-64.2	-176.5	176.9	-169.5	-1.2	112.3	T312 D314	T312-R317 HydrophobicContact CG2-CB 3.89Å; D314-R317 HydrophobicContact CB-CB 4.31Å; D314-R317 HydrophobicContact CB-CG 4.29Å; D314-R317 PolarHBondContact O-N 2.89Å; D314-R317 IonicContact OD2-NE 3.92Å
318	R	97.7	Very high	97	Very high	10 Å²	10	58.3 Å²	58.3	4%	0.038	28%	0.283	C	S	.	.	S	Bend	trans	-59.8	136.9	177.1	-165.8	179.9	-57.8	140.7	5.5	110.9	E243 A253 L310 T312 V313 D314 N320	E243-R318 IonicContact OE1-CZ 2.71Å; E243-R318 IonicContact OE1-NH1 3.73Å; E243-R318 PolarHBondContact OE1-NH1 3.35Å; E243-R318 IonicContact OE1-NH2 2.88Å; E243-R318 PolarHBondContact OE1-NH2 3.21Å; E243-R318 IonicContact OE2-CZ 3.26Å; E243-R318 IonicContact OE2-NH1 3.74Å; E243-R318 PolarHBondContact OE2-NH1 2.8Å; E243-R318 IonicContact OE2-NH2 3.89Å; E243-R318 PolarHBondContact OE2-NH2 2.9Å; A253-R318 VanDerWaalsContact C-NH1 3.32Å; A253-R318 WeakPolarHBondContact O-CD 3.42Å; A253-R318 PolarHBondContact O-NH1 3.33Å; L310-R318 WeakPolarHBondContact O-CD 3.27Å; L310-R318 WeakPolarHBondContact O-CG 3.32Å; T312-R318 PolarHBondContact O-NE 2.85Å; T312-R318 PolarHBondContact O-NH2 3.44Å; V313-R318 PolarHBondContact O-NH2 3.16Å; V313-R318 VanDerWaalsContact O-NH2 3.12Å; D314-R318 PolarHBondContact O-N 2.98Å; R318-N320 PolarHBondContact O-N 3.26Å
319	M	97.5	Very high	97.1	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.059	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-60.3	125.3	179.4	-167.2	-174.3	-49.3	0	0	110.8	F306 K309 L310 Q323 A324 H327	F306-M319 HydrophobicContact CD2-CE 4.31Å; F306-M319 HydrophobicContact CD2-SD 4.38Å; F306-M319 HydrophobicContact CE2-SD 4.23Å; K309-M319 HydrophobicContact CB-CB 4.22Å; K309-M319 HydrophobicContact CB-CE 3.2Å; K309-M319 HydrophobicContact CD-CE 3.36Å; K309-M319 HydrophobicContact CG-CE 3.92Å; K309-M319 PolarHBondContact O-N 3.12Å; L310-M319 HydrophobicContact CD2-CB 4.27Å; M319-Q323 HydrophobicContact CG-CB 3.45Å; M319-Q323 VanDerWaalsContact CG-CB 3.45Å; M319-Q323 HydrophobicContact SD-CB 4.26Å; M319-A324 HydrophobicContact CG-CB 4.26Å; M319-A324 WeakPolarHBondContact SD-CA 3.44Å; M319-A324 HydrophobicContact SD-CB 3.67Å; M319-A324 PolarHBondContact SD-N 3.36Å; M319-A324 VanDerWaalsContact SD-N 3.4Å; M319-H327 HydrophobicContact SD-CB 4.43Å
320	N	97	Very high	97	Very high	73 Å²	73	51.6 Å²	51.6	39%	0.39	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-83.7	170.4	174.1	67.7	45.5	0	0	0	111.9	R318 S322 Q323 A324	R318-N320 PolarHBondContact O-N 3.26Å; N320-S322 VanDerWaalsContact C-N 3.31Å; N320-S322 PolarHBondContact O-N 2.84Å; N320-S322 PolarHBondContact OD1-N 2.88Å; N320-Q323 PolarHBondContact ND2-OE1 2.87Å; N320-Q323 PolarHBondContact O-N 2.97Å; N320-Q323 VanDerWaalsContact O-N 3.16Å; N320-Q323 WeakPolarHBondContact OD1-CG 3.27Å; N320-Q323 PolarHBondContact OD1-N 2.86Å; N320-A324 WeakPolarHBondContact O-CB 3.41Å; N320-A324 PolarHBondContact O-N 3.17Å
321	V	97.6	Very high	96.9	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-39.2	-174.8	84.1	0	0	0	0	113	L179 L182 V186 M256 Q323 A324 L325	L179-V321 HydrophobicContact CB-CG2 4.31Å; L179-V321 HydrophobicContact CD2-CG2 3.98Å; L179-V321 WeakPolarHBondContact O-CG2 3.36Å; L182-V321 HydrophobicContact CB-CG2 3.91Å; V186-V321 HydrophobicContact CG2-CG1 4.31Å; M256-V321 HydrophobicContact SD-CB 3.87Å; M256-V321 HydrophobicContact SD-CG2 4.11Å; V321-Q323 PolarHBondContact O-N 3.03Å; V321-A324 PolarHBondContact O-N 3.02Å; V321-L325 WeakPolarHBondContact O-CG 3.38Å; V321-L325 PolarHBondContact O-N 2.64Å
322	S	97.2	Very high	96.6	Very high	65 Å²	65	61.1 Å²	61.1	46%	0.455	30%	0.295	S	S	.	.	H	α-helix	trans	-68.8	-34.7	179.7	-55.8	0	0	0	0	112.5	N320 K326	N320-S322 VanDerWaalsContact C-N 3.31Å; N320-S322 PolarHBondContact O-N 2.84Å; N320-S322 PolarHBondContact OD1-N 2.88Å; S322-K326 WeakPolarHBondContact O-CG 3.43Å
323	Q	98.1	Very high	96.2	Very high	100 Å²	100	61 Å²	61	47%	0.467	29%	0.292	S	S	.	.	H	α-helix	trans	-72.2	-39.2	172.4	-69.9	167.4	-23.8	0	0	110.9	M319 N320 V321 K326 H327	M319-Q323 HydrophobicContact CG-CB 3.45Å; M319-Q323 VanDerWaalsContact CG-CB 3.45Å; M319-Q323 HydrophobicContact SD-CB 4.26Å; N320-Q323 PolarHBondContact ND2-OE1 2.87Å; N320-Q323 PolarHBondContact O-N 2.97Å; N320-Q323 VanDerWaalsContact O-N 3.16Å; N320-Q323 WeakPolarHBondContact OD1-CG 3.27Å; N320-Q323 PolarHBondContact OD1-N 2.86Å; V321-Q323 PolarHBondContact O-N 3.03Å; Q323-K326 CarbonylContact O-C 3.5Å; Q323-K326 PolarHBondContact O-N 3.01Å; Q323-K326 VanDerWaalsContact O-N 3.14Å; Q323-H327 PolarHBondContact O-N 3.28Å; Q323-H327 VanDerWaalsContact O-N 3.1Å
324	A	98.2	Very high	95.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.5	-41.9	179	0	0	0	0	0	113	L179 M256 F306 M319 N320 V321 K326 H327	L179-A324 HydrophobicContact CD1-CB 3.84Å; L179-A324 HydrophobicContact CD2-CB 3.82Å; L179-A324 HydrophobicContact CG-CB 4.49Å; M256-A324 HydrophobicContact CE-CB 3.83Å; F306-A324 HydrophobicContact CE2-CB 3.95Å; F306-A324 HydrophobicContact CZ-CB 4.21Å; M319-A324 HydrophobicContact CG-CB 4.26Å; M319-A324 WeakPolarHBondContact SD-CA 3.44Å; M319-A324 HydrophobicContact SD-CB 3.67Å; M319-A324 PolarHBondContact SD-N 3.36Å; M319-A324 VanDerWaalsContact SD-N 3.4Å; N320-A324 WeakPolarHBondContact O-CB 3.41Å; N320-A324 PolarHBondContact O-N 3.17Å; V321-A324 PolarHBondContact O-N 3.02Å; A324-K326 PolarHBondContact O-N 2.78Å; A324-H327 VanDerWaalsContact O-CB 3.32Å; A324-H327 WeakPolarHBondContact O-CB 3.37Å; A324-H327 PolarHBondContact O-N 2.99Å; A324-H327 VanDerWaalsContact O-N 3.13Å
325	L	97.9	Very high	95.6	Very high	39 Å²	39	69.3 Å²	69.3	20%	0.204	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-24.6	174	-74.7	169.1	0	0	0	113.2	R176 L179 N180 V321	R176-L325 HydrophobicContact CG-CD2 4.29Å; L179-L325 HydrophobicContact CB-CD2 3.57Å; L179-L325 HydrophobicContact CB-CG 3.95Å; L179-L325 HydrophobicContact CD1-CD2 4.17Å; L179-L325 HydrophobicContact CD1-CG 4.42Å; N180-L325 WeakPolarHBondContact OD1-CD2 3.38Å; V321-L325 WeakPolarHBondContact O-CG 3.38Å; V321-L325 PolarHBondContact O-N 2.64Å
326	K	97.8	Very high	95.5	Very high	148 Å²	148	68.1 Å²	68.1	64%	0.643	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	0.6	177.6	-66.1	176.2	-176.3	179.6	0	113.5	S322 Q323 A324 Q331	S322-K326 WeakPolarHBondContact O-CG 3.43Å; Q323-K326 CarbonylContact O-C 3.5Å; Q323-K326 PolarHBondContact O-N 3.01Å; Q323-K326 VanDerWaalsContact O-N 3.14Å; A324-K326 PolarHBondContact O-N 2.78Å; K326-Q331 PolarHBondContact O-OE1 2.97Å
327	H	98.2	Very high	95.3	Very high	9 Å²	9	59.1 Å²	59.1	4%	0.042	29%	0.288	C	S	.	.	S	Bend	trans	-68.2	139.1	-180	-165.1	-97.9	0	0	0	110.2	F302 D305 F306 M319 Q323 A324 W329 I330 Q331	F302-H327 PolarHBondContact O-CE1 2.79Å; D305-H327 IonicContact OD2-CE1 2.94Å; D305-H327 PolarHBondContact OD2-CE1 3.01Å; D305-H327 IonicContact OD2-NE2 2.64Å; D305-H327 PolarHBondContact OD2-NE2 2.82Å; F306-H327 HydrophobicContact CD2-CB 3.67Å; F306-H327 AromaticContact CD2-CG 3.47Å; F306-H327 VanDerWaalsContact CD2-CG 3.47Å; F306-H327 AromaticContact CD2-ND1 3.47Å; F306-H327 WeakPolarHBondContact CD2-ND1 2.91Å; F306-H327 HydrophobicContact CE2-CB 3.88Å; M319-H327 HydrophobicContact SD-CB 4.43Å; Q323-H327 PolarHBondContact O-N 3.28Å; Q323-H327 VanDerWaalsContact O-N 3.1Å; A324-H327 VanDerWaalsContact O-CB 3.32Å; A324-H327 WeakPolarHBondContact O-CB 3.37Å; A324-H327 PolarHBondContact O-N 2.99Å; A324-H327 VanDerWaalsContact O-N 3.13Å; H327-W329 PolarHBondContact ND1-N 2.94Å; H327-W329 PolarHBondContact O-N 3.25Å; H327-W329 VanDerWaalsContact O-N 3.12Å; H327-I330 PolarHBondContact O-N 2.74Å; H327-Q331 PolarHBondContact O-N 3.11Å
328	P	97.1	Very high	95.1	Very high	53 Å²	53	53.2 Å²	53.2	34%	0.344	27%	0.269	S	S	.	.	H	α-helix	trans	-51.9	-39.6	-178.1	-29.7	35.6	0	0	0	113.9	F302 I330 D332	F302-P328 HydrophobicContact CD1-CB 3.93Å; F302-P328 HydrophobicContact CE1-CB 4.02Å; P328-I330 PolarHBondContact O-N 3.39Å; P328-D332 CarbonylContact O-C 3.56Å; P328-D332 VanDerWaalsContact O-C 3.28Å; P328-D332 WeakPolarHBondContact O-CA 2.91Å; P328-D332 PolarHBondContact O-N 2.91Å
329	W	97.5	Very high	94.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-26.1	177.3	-166.6	64.8	0	0	0	114.7	E168 I171 S172 V263 L267 F302 A303 F306 H327	E168-W329 HydrophobicContact CB-CZ2 4.25Å; E168-W329 PolarHBondContact OE2-NE1 3.43Å; I171-W329 HydrophobicContact CB-CH2 4.32Å; I171-W329 HydrophobicContact CG2-CH2 3.76Å; I171-W329 HydrophobicContact CG2-CZ2 4.38Å; S172-W329 PolarHBondContact OG-O 3.2Å; V263-W329 HydrophobicContact CG1-CH2 4.03Å; V263-W329 HydrophobicContact CG1-CZ3 3.97Å; L267-W329 HydrophobicContact CD1-CH2 4.36Å; L267-W329 HydrophobicContact CD2-CH2 4.29Å; L267-W329 HydrophobicContact CD2-CZ2 3.99Å; F302-W329 HydrophobicContact CB-CB 4.09Å; F302-W329 HydrophobicContact CB-CG 4.37Å; A303-W329 HydrophobicContact CB-CD2 4.18Å; A303-W329 HydrophobicContact CB-CG 4.42Å; A303-W329 HydrophobicContact CB-CZ2 3.91Å; F306-W329 HydrophobicContact CB-CB 4.48Å; F306-W329 HydrophobicContact CB-CE3 4.13Å; F306-W329 AromaticContact CD1-CE3 3.57Å; F306-W329 HydrophobicContact CD1-CE3 3.57Å; F306-W329 AromaticContact CD1-CZ3 3.66Å; F306-W329 HydrophobicContact CD1-CZ3 3.66Å; F306-W329 HydrophobicContact CD2-CE3 4.47Å; F306-W329 HydrophobicContact CE1-CE3 4.04Å; F306-W329 AromaticContact CE1-CZ3 3.93Å; F306-W329 HydrophobicContact CE1-CZ3 3.93Å; F306-W329 AromaticContact CG-CE3 3.8Å; F306-W329 HydrophobicContact CG-CE3 3.8Å; F306-W329 HydrophobicContact CG-CZ3 4.36Å; H327-W329 PolarHBondContact ND1-N 2.94Å; H327-W329 PolarHBondContact O-N 3.25Å; H327-W329 VanDerWaalsContact O-N 3.12Å
330	I	97.6	Very high	94.6	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-98.6	-47.2	179.2	-61.9	-61.6	0	0	0	111.2	V175 R176 L179 F306 H327 P328	V175-I330 HydrophobicContact CB-CD1 4.12Å; V175-I330 HydrophobicContact CG1-CD1 3.78Å; R176-I330 HydrophobicContact CB-CG2 3.92Å; R176-I330 HydrophobicContact CG-CG2 3.83Å; L179-I330 HydrophobicContact CD1-CD1 4.43Å; L179-I330 HydrophobicContact CD1-CG1 4.24Å; L179-I330 HydrophobicContact CD1-CG2 4.41Å; F306-I330 HydrophobicContact CD2-CG1 4.34Å; F306-I330 HydrophobicContact CE1-CD1 4.49Å; F306-I330 HydrophobicContact CE2-CD1 4.42Å; F306-I330 HydrophobicContact CE2-CG1 3.69Å; F306-I330 HydrophobicContact CZ-CD1 4.12Å; F306-I330 HydrophobicContact CZ-CG1 3.85Å; H327-I330 PolarHBondContact O-N 2.74Å; P328-I330 PolarHBondContact O-N 3.39Å
331	Q	94.7	Very high	94.4	Very high	138 Å²	138	61.6 Å²	61.6	65%	0.645	31%	0.31	S	S	*	.	H	α-helix	trans	-76.9	-43.5	-173.9	-174.9	176.9	-2.1	0	0	112.4	K326 H327	K326-Q331 PolarHBondContact O-OE1 2.97Å; H327-Q331 PolarHBondContact O-N 3.11Å
332	D	92	Very high	94.2	Very high	67 Å²	67	61.3 Å²	61.3	36%	0.358	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	47.8	179.7	-170.9	14.6	0	0	0	110.7	P328 E334 N335 C336	P328-D332 CarbonylContact O-C 3.56Å; P328-D332 VanDerWaalsContact O-C 3.28Å; P328-D332 WeakPolarHBondContact O-CA 2.91Å; P328-D332 PolarHBondContact O-N 2.91Å; D332-E334 PolarHBondContact O-N 2.86Å; D332-N335 VanDerWaalsContact CG-ND2 3.32Å; D332-N335 PolarHBondContact O-N 3.17Å; D332-N335 VanDerWaalsContact O-N 3.12Å; D332-N335 PolarHBondContact OD1-ND2 3.04Å; D332-N335 PolarHBondContact OD2-ND2 3.23Å; D332-C336 WeakPolarHBondContact O-CB 3.46Å; D332-C336 PolarHBondContact O-N 3.07Å
333	K	87.8	Confident	93.8	Very high	36 Å²	36	61.8 Å²	61.8	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-20.9	-176.7	65.2	166.7	-175.6	147.9	0	113.8	F169 S172 N335 A337	F169-K333 HydrophobicContact CD2-CB 4.42Å; F169-K333 HydrophobicContact CD2-CD 4.15Å; F169-K333 HydrophobicContact CD2-CG 4.24Å; F169-K333 WeakPolarHBondContact CD2-O 3.43Å; F169-K333 HydrophobicContact CE2-CB 4.48Å; F169-K333 HydrophobicContact CE2-CD 3.77Å; F169-K333 HydrophobicContact CE2-CG 3.84Å; F169-K333 HydrophobicContact CZ-CD 4.11Å; S172-K333 WeakPolarHBondContact OG-CB 3.27Å; K333-N335 VanDerWaalsContact C-N 3.32Å; K333-A337 HydrophobicContact CB-CB 4.09Å; K333-A337 VanDerWaalsContact O-CB 3.31Å; K333-A337 WeakPolarHBondContact O-CB 3.49Å; K333-A337 PolarHBondContact O-N 2.95Å; K333-A337 VanDerWaalsContact O-N 3.12Å
334	E	87.8	Confident	93.3	Very high	139 Å²	139	59.7 Å²	59.7	65%	0.65	30%	0.3	S	S	*	.	H	α-helix	trans	-67.3	-35.3	177.9	-68.6	-168.3	172.6	0	0	112.2	F169 D332	F169-E334 HydrophobicContact CE2-CG 4.16Å; D332-E334 PolarHBondContact O-N 2.86Å
335	N	91.3	Very high	93	Very high	126 Å²	126	59.7 Å²	59.7	67%	0.674	30%	0.3	S	S	*	.	H	α-helix	trans	-100.2	-29.8	179.6	-60	-49.7	0	0	0	112.8	D332 K333	D332-N335 VanDerWaalsContact CG-ND2 3.32Å; D332-N335 PolarHBondContact O-N 3.17Å; D332-N335 VanDerWaalsContact O-N 3.12Å; D332-N335 PolarHBondContact OD1-ND2 3.04Å; D332-N335 PolarHBondContact OD2-ND2 3.23Å; K333-N335 VanDerWaalsContact C-N 3.32Å
336	C	92	Very high	92.7	Very high	12 Å²	12	58.8 Å²	58.8	8%	0.081	30%	0.296	C	S	.	.	H	α-helix	trans	-98	-22.7	-173.2	-66.5	0	0	0	0	114.8	F302 D332	F302-C336 HydrophobicContact CB-CB 4.17Å; F302-C336 HydrophobicContact CD1-CB 4.35Å; F302-C336 HydrophobicContact CD2-CB 3.79Å; F302-C336 HydrophobicContact CE2-CB 4.23Å; F302-C336 HydrophobicContact CG-CB 3.86Å; D332-C336 WeakPolarHBondContact O-CB 3.46Å; D332-C336 PolarHBondContact O-N 3.07Å
337	A	90.8	Very high	92.1	Very high	5 Å²	5	55 Å²	55	4%	0.041	29%	0.287	C	S	.	.	S	Bend	trans	-107.1	124.9	-178.3	0	0	0	0	0	111.1	E168 F169 K333	E168-A337 HydrophobicContact CB-CB 4.25Å; F169-A337 HydrophobicContact CB-CB 4.43Å; K333-A337 HydrophobicContact CB-CB 4.09Å; K333-A337 VanDerWaalsContact O-CB 3.31Å; K333-A337 WeakPolarHBondContact O-CB 3.49Å; K333-A337 PolarHBondContact O-N 2.95Å; K333-A337 VanDerWaalsContact O-N 3.12Å
338	Q	91.2	Very high	91.5	Very high	74 Å²	74	56.2 Å²	56.2	35%	0.346	29%	0.293	S	S	.	.			trans	-69.7	144.9	-177.6	-60.5	-174.7	16.4	0	0	112.3	E168 F169 Q298	E168-Q338 HydrophobicContact CB-CB 4.46Å; E168-Q338 WeakPolarHBondContact CB-O 3.46Å; E168-Q338 PolarHBondContact N-O 3.25Å; F169-Q338 PolarHBondContact N-O 3.28Å; Q298-Q338 PolarHBondContact O-OE1 3.24Å; Q298-Q338 VanDerWaalsContact O-OE1 3.13Å
339	K	92.6	Very high	91	Very high	128 Å²	128	53.7 Å²	53.7	56%	0.557	28%	0.276	S	S	*	.			trans	-98.9	9	176.7	-62.8	178.9	-176.4	173.8	0	113	F169	F169-K339 HydrophobicContact CB-CG 3.9Å; F169-K339 HydrophobicContact CD2-CG 4.32Å; F169-K339 HydrophobicContact CG-CG 4.11Å
340	V	91.4	Very high	90.5	Very high	85 Å²	85	59 Å²	59	52%	0.515	30%	0.301	S	S	.	.	S	Bend	trans	-73.1	139.6	-179.9	-177.5	0	0	0	0	109.5	S167 L342	S167-V340 WeakPolarHBondContact CA-O 3.44Å; S167-V340 WeakPolarHBondContact CB-O 3.43Å; V340-L342 PolarHBondContact O-N 3.31Å
341	H	93.9	Very high	89.7	Confident	59 Å²	59	65.7 Å²	65.7	27%	0.273	33%	0.326	S	S	.	.			trans	-67.6	120.5	176.2	-172.4	36.9	0	0	0	110.7	V165 Y166 V343	V165-H341 HydrophobicContact CG1-CB 3.96Å; Y166-H341 PolarHBondContact N-ND1 3.36Å; Y166-H341 VanDerWaalsContact N-ND1 3.18Å; Y166-H341 CarbonylContact O-C 3.57Å; Y166-H341 VanDerWaalsContact O-CA 3.3Å; Y166-H341 WeakPolarHBondContact O-CA 3.35Å; Y166-H341 PolarHBondContact O-ND1 3.14Å; H341-V343 VanDerWaalsContact C-N 3.27Å; H341-V343 HydrophobicContact CB-CG2 4.49Å; H341-V343 WeakPolarHBondContact CD2-CG2 3.36Å; H341-V343 PolarHBondContact O-N 2.96Å
342	L	92.9	Very high	89	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	30%	0.301	C	S	.	.			trans	-82	70.7	178.1	-60.3	177.2	0	0	0	110.6	Y166 E168 I171 Q298 I299 V340 D344 T345 V346	Y166-L342 HydrophobicContact CD1-CB 4.43Å; Y166-L342 PolarHBondContact O-N 3.28Å; E168-L342 HydrophobicContact CG-CD1 4.29Å; I171-L342 HydrophobicContact CD1-CD1 3.81Å; Q298-L342 HydrophobicContact CB-CD2 4.47Å; I299-L342 HydrophobicContact CD1-CD1 3.84Å; I299-L342 HydrophobicContact CD1-CD2 3.69Å; I299-L342 HydrophobicContact CD1-CG 4.42Å; V340-L342 PolarHBondContact O-N 3.31Å; L342-D344 PolarHBondContact O-N 3.36Å; L342-T345 WeakPolarHBondContact O-CB 3.38Å; L342-T345 PolarHBondContact O-N 3.49Å; L342-V346 WeakPolarHBondContact O-CG2 3.23Å; L342-V346 PolarHBondContact O-N 3.39Å
343	V	89.8	Confident	88.5	Confident	74 Å²	74	57.4 Å²	57.4	45%	0.448	29%	0.285	S	S	.	.	H	α-helix	trans	-55.9	-49.6	-176.6	176.3	0	0	0	0	111.3	H341 T345 V346 C347	H341-V343 VanDerWaalsContact C-N 3.27Å; H341-V343 HydrophobicContact CB-CG2 4.49Å; H341-V343 WeakPolarHBondContact CD2-CG2 3.36Å; H341-V343 PolarHBondContact O-N 2.96Å; V343-T345 VanDerWaalsContact C-N 3.32Å; V343-T345 PolarHBondContact O-N 2.89Å; V343-V346 PolarHBondContact O-N 3.34Å; V343-C347 PolarHBondContact O-N 2.97Å; V343-C347 PolarHBondContact O-SG 3.31Å
344	D	87.3	Confident	87.7	Confident	56 Å²	56	58.2 Å²	58.2	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-59.6	-45.1	-179	-66.8	-42.4	0	0	0	110.8	Q298 L342 V346 C347 F348	Q298-D344 PolarHBondContact NE2-OD2 3.45Å; L342-D344 PolarHBondContact O-N 3.36Å; D344-V346 VanDerWaalsContact C-N 3.35Å; D344-V346 PolarHBondContact O-N 2.59Å; D344-C347 WeakPolarHBondContact O-CB 3.43Å; D344-C347 PolarHBondContact O-N 3.22Å; D344-F348 HydrophobicContact CB-CD2 4.4Å; D344-F348 HydrophobicContact CB-CE2 4.18Å; D344-F348 WeakPolarHBondContact O-CD2 3.3Å; D344-F348 PolarHBondContact O-N 3.44Å
345	T	91	Very high	86.9	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-42.2	176.9	-55.4	0	0	0	0	112.1	Y166 L266 L267 L342 V343 F348 M349	Y166-T345 HydrophobicContact CE1-CG2 4.03Å; L266-T345 WeakPolarHBondContact O-CG2 3.21Å; L267-T345 VanDerWaalsContact C-CG2 3.5Å; L267-T345 WeakPolarHBondContact O-CG2 3.5Å; L267-T345 PolarHBondContact O-OG1 3.44Å; L342-T345 WeakPolarHBondContact O-CB 3.38Å; L342-T345 PolarHBondContact O-N 3.49Å; V343-T345 VanDerWaalsContact C-N 3.32Å; V343-T345 PolarHBondContact O-N 2.89Å; T345-F348 PolarHBondContact O-N 2.89Å; T345-M349 VanDerWaalsContact O-CB 3.24Å; T345-M349 WeakPolarHBondContact O-CB 3.16Å; T345-M349 PolarHBondContact O-N 2.98Å
346	V	91	Very high	86	Confident	19 Å²	19	48.4 Å²	48.4	12%	0.115	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-41.8	176.1	173	0	0	0	0	111	V156 A160 Y166 L342 V343 D344 M349 H350	V156-V346 HydrophobicContact CG1-CG2 4.32Å; A160-V346 HydrophobicContact CB-CB 4.49Å; A160-V346 HydrophobicContact CB-CG1 3.66Å; A160-V346 HydrophobicContact CB-CG2 4Å; Y166-V346 HydrophobicContact CD1-CG2 3.81Å; Y166-V346 HydrophobicContact CG-CG2 4.25Å; L342-V346 WeakPolarHBondContact O-CG2 3.23Å; L342-V346 PolarHBondContact O-N 3.39Å; V343-V346 PolarHBondContact O-N 3.34Å; D344-V346 VanDerWaalsContact C-N 3.35Å; D344-V346 PolarHBondContact O-N 2.59Å; V346-M349 PolarHBondContact O-N 3.2Å; V346-H350 WeakPolarHBondContact O-CB 3.5Å; V346-H350 PolarHBondContact O-N 2.88Å
347	C	86.1	Confident	84.7	Confident	68 Å²	68	50.3 Å²	50.3	46%	0.459	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-44.9	175.9	-69	0	0	0	0	112.2	V343 D344 H350 R351	V343-C347 PolarHBondContact O-N 2.97Å; V343-C347 PolarHBondContact O-SG 3.31Å; D344-C347 WeakPolarHBondContact O-CB 3.43Å; D344-C347 PolarHBondContact O-N 3.22Å; C347-H350 PolarHBondContact O-N 2.97Å; C347-R351 PolarHBondContact O-N 2.97Å
348	F	84.9	Confident	83.5	Confident	35 Å²	35	53.1 Å²	53.1	15%	0.154	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-42.8	174.5	-71.5	-62.2	0	0	0	111.4	T270 D344 T345 H350 R351 F352	T270-F348 HydrophobicContact CG2-CB 4.46Å; T270-F348 HydrophobicContact CG2-CD1 4.42Å; T270-F348 HydrophobicContact CG2-CG 4.49Å; D344-F348 HydrophobicContact CB-CD2 4.4Å; D344-F348 HydrophobicContact CB-CE2 4.18Å; D344-F348 WeakPolarHBondContact O-CD2 3.3Å; D344-F348 PolarHBondContact O-N 3.44Å; T345-F348 PolarHBondContact O-N 2.89Å; F348-H350 VanDerWaalsContact C-N 3.32Å; F348-H350 PolarHBondContact O-N 2.84Å; F348-R351 PolarHBondContact O-N 3.5Å; F348-F352 WeakPolarHBondContact O-CB 3.43Å; F348-F352 PolarHBondContact O-N 2.92Å
349	M	87.9	Confident	82.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-38	176.8	-166.8	68.7	71.4	0	0	112.3	C153 V157 V265 L266 T345 V346 F352 N353	C153-M349 HydrophobicContact CB-SD 3.69Å; C153-M349 WeakPolarHBondContact O-CG 3.32Å; V157-M349 HydrophobicContact CG2-CB 3.9Å; V157-M349 HydrophobicContact CG2-CG 3.73Å; V265-M349 HydrophobicContact CG1-CE 4.09Å; V265-M349 HydrophobicContact CG1-SD 4.36Å; V265-M349 VanDerWaalsContact O-CE 3.25Å; V265-M349 WeakPolarHBondContact O-CE 3.44Å; L266-M349 HydrophobicContact CD2-CE 4.38Å; T345-M349 VanDerWaalsContact O-CB 3.24Å; T345-M349 WeakPolarHBondContact O-CB 3.16Å; T345-M349 PolarHBondContact O-N 2.98Å; V346-M349 PolarHBondContact O-N 3.2Å; M349-F352 WeakPolarHBondContact O-CB 3.33Å; M349-F352 PolarHBondContact O-N 3.23Å; M349-F352 HydrophobicContact SD-CD1 3.76Å; M349-F352 HydrophobicContact SD-CE1 4.44Å; M349-N353 VanDerWaalsContact O-CB 3.28Å; M349-N353 WeakPolarHBondContact O-CB 3.47Å; M349-N353 PolarHBondContact O-N 2.89Å; M349-N353 PolarHBondContact O-ND2 3.33Å
350	H	85.7	Confident	80.6	Confident	113 Å²	113	47.2 Å²	47.2	52%	0.523	24%	0.243	S	C	.	.	H	α-helix	trans	-59.8	-47.3	174.6	179.2	-77.5	0	0	0	111.4	V157 V346 C347 F348 N353 A354	V157-H350 HydrophobicContact CG1-CB 3.9Å; V157-H350 HydrophobicContact CG2-CB 4.24Å; V346-H350 WeakPolarHBondContact O-CB 3.5Å; V346-H350 PolarHBondContact O-N 2.88Å; C347-H350 PolarHBondContact O-N 2.97Å; F348-H350 VanDerWaalsContact C-N 3.32Å; F348-H350 PolarHBondContact O-N 2.84Å; H350-N353 PolarHBondContact O-N 3.44Å; H350-A354 PolarHBondContact O-N 3.04Å
351	R	80.9	Confident	78.9	Confident	144 Å²	144	47.9 Å²	47.9	54%	0.543	24%	0.236	S	C	.	.	H	α-helix	trans	-64.3	-45.4	176.2	-66	178.3	-177.3	175.5	-1.2	111.7	C347 F348 N353 A354 H355	C347-R351 PolarHBondContact O-N 2.97Å; F348-R351 PolarHBondContact O-N 3.5Å; R351-N353 VanDerWaalsContact C-N 3.32Å; R351-N353 PolarHBondContact O-N 3.11Å; R351-A354 PolarHBondContact O-N 3.3Å; R351-H355 PolarHBondContact O-N 3.5Å
352	F	80.7	Confident	77.2	Confident	25 Å²	25	46 Å²	46	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-54	-47.8	175.8	172	-102.3	0	0	0	112	L197 V265 F271 F348 M349 H355 R356	L197-F352 HydrophobicContact CD1-CE1 3.68Å; L197-F352 HydrophobicContact CD1-CE2 4.48Å; L197-F352 HydrophobicContact CD1-CZ 3.4Å; V265-F352 HydrophobicContact CG1-CE1 4.43Å; F271-F352 AromaticContact CD2-CE2 3.71Å; F271-F352 HydrophobicContact CD2-CE2 3.71Å; F271-F352 HydrophobicContact CD2-CZ 4.39Å; F271-F352 AromaticContact CE2-CE2 3.37Å; F271-F352 HydrophobicContact CE2-CE2 3.37Å; F271-F352 AromaticContact CE2-CZ 3.67Å; F271-F352 HydrophobicContact CE2-CZ 3.67Å; F271-F352 HydrophobicContact CZ-CE2 4.35Å; F271-F352 HydrophobicContact CZ-CZ 4.24Å; F348-F352 WeakPolarHBondContact O-CB 3.43Å; F348-F352 PolarHBondContact O-N 2.92Å; M349-F352 WeakPolarHBondContact O-CB 3.33Å; M349-F352 PolarHBondContact O-N 3.23Å; M349-F352 HydrophobicContact SD-CD1 3.76Å; M349-F352 HydrophobicContact SD-CE1 4.44Å; F352-H355 PolarHBondContact O-N 2.88Å; F352-R356 PolarHBondContact O-N 3.32Å
353	N	80.8	Confident	75.3	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.027	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-41.1	178.6	-77.4	-22.1	0	0	0	112.8	C153 L154 V157 M349 H350 R351 H355 R356 N357	C153-N353 PolarHBondContact O-ND2 2.73Å; L154-N353 WeakPolarHBondContact CA-ND2 3.12Å; L154-N353 HydrophobicContact CD2-CB 3.53Å; L154-N353 VanDerWaalsContact CD2-CG 3.42Å; L154-N353 HydrophobicContact CG-CB 4.28Å; V157-N353 WeakPolarHBondContact CG2-ND2 3.39Å; M349-N353 VanDerWaalsContact O-CB 3.28Å; M349-N353 WeakPolarHBondContact O-CB 3.47Å; M349-N353 PolarHBondContact O-N 2.89Å; M349-N353 PolarHBondContact O-ND2 3.33Å; H350-N353 PolarHBondContact O-N 3.44Å; R351-N353 VanDerWaalsContact C-N 3.32Å; R351-N353 PolarHBondContact O-N 3.11Å; N353-H355 VanDerWaalsContact C-N 3.32Å; N353-H355 PolarHBondContact O-N 2.86Å; N353-R356 PolarHBondContact O-N 3.49Å; N353-N357 WeakPolarHBondContact O-CB 3.36Å; N353-N357 PolarHBondContact O-N 3.06Å; N353-N357 PolarHBondContact O-ND2 3.28Å
354	A	72	Confident	73.5	Confident	54 Å²	54	49.9 Å²	49.9	45%	0.446	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-45.5	174.5	0	0	0	0	0	110.9	H350 R351 N357 L358	H350-A354 PolarHBondContact O-N 3.04Å; R351-A354 PolarHBondContact O-N 3.3Å; A354-N357 PolarHBondContact O-N 2.89Å; A354-L358 PolarHBondContact O-N 2.96Å
355	H	70.4	Confident	71.9	Confident	33 Å²	33	47.7 Å²	47.7	15%	0.153	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-45.1	176.5	-176.5	-168.9	0	0	0	112	R351 F352 N353 N357 L358 K359 L406 D407	R351-H355 PolarHBondContact O-N 3.5Å; F352-H355 PolarHBondContact O-N 2.88Å; N353-H355 VanDerWaalsContact C-N 3.32Å; N353-H355 PolarHBondContact O-N 2.86Å; H355-N357 VanDerWaalsContact C-N 3.29Å; H355-N357 PolarHBondContact O-N 3.28Å; H355-L358 PolarHBondContact O-N 2.9Å; H355-K359 WeakPolarHBondContact NE2-CE 3.39Å; H355-K359 PolarHBondContact O-N 2.74Å; H355-L406 PolarHBondContact CE1-O 3.27Å; H355-L406 WeakPolarHBondContact NE2-CB 3.38Å; H355-L406 PolarHBondContact NE2-O 2.84Å; H355-D407 IonicContact CE1-OD1 2.69Å; H355-D407 PolarHBondContact CE1-OD1 3.14Å; H355-D407 IonicContact NE2-OD1 2.81Å
356	R	72	Confident	69.9	Low	25 Å²	25	49.2 Å²	49.2	9%	0.094	25%	0.25	C	S	.	.	H	α-helix	trans	-58.5	-41.2	175.9	-162	178.9	92.3	-173.7	3.9	111.9	E80 D151 E198 F352 N353 R360	E80-R356 IonicContact OE2-NH2 3.46Å; E80-R356 PolarHBondContact OE2-NH2 3.32Å; D151-R356 IonicContact OD1-CZ 3.12Å; D151-R356 IonicContact OD1-NH1 2.82Å; D151-R356 PolarHBondContact OD1-NH1 2.91Å; D151-R356 IonicContact OD1-NH2 3.11Å; D151-R356 PolarHBondContact OD1-NH2 3.49Å; D151-R356 IonicContact OD2-CZ 3.24Å; D151-R356 IonicContact OD2-NH1 3.44Å; D151-R356 IonicContact OD2-NH2 3.36Å; D151-R356 PolarHBondContact OD2-NH2 3.21Å; E198-R356 IonicContact OE1-NE 3.48Å; F352-R356 PolarHBondContact O-N 3.32Å; N353-R356 PolarHBondContact O-N 3.49Å; R356-R360 VanDerWaalsContact NE-NH2 3.16Å; R356-R360 WeakPolarHBondContact O-CG 3.42Å; R356-R360 PolarHBondContact O-N 2.77Å; R356-R360 VanDerWaalsContact O-N 3.07Å
357	N	66.2	Low	67.7	Low	52 Å²	52	52.9 Å²	52.9	28%	0.278	27%	0.269	S	S	.	.	H	α-helix	trans	-68.1	-40.7	178.1	-75.4	-26.2	0	0	0	112.8	N353 A354 H355 R360 R361	N353-N357 WeakPolarHBondContact O-CB 3.36Å; N353-N357 PolarHBondContact O-N 3.06Å; N353-N357 PolarHBondContact O-ND2 3.28Å; A354-N357 PolarHBondContact O-N 2.89Å; H355-N357 VanDerWaalsContact C-N 3.29Å; H355-N357 PolarHBondContact O-N 3.28Å; N357-R360 PolarHBondContact O-N 3.47Å; N357-R360 PolarHBondContact OD1-NH1 3.29Å; N357-R361 WeakPolarHBondContact O-CG 3.44Å; N357-R361 PolarHBondContact O-N 2.75Å
358	L	64.4	Low	65.8	Low	65 Å²	65	51 Å²	51	34%	0.34	26%	0.256	S	S	.	.	H	α-helix	trans	-59.6	-48.7	174.3	177.6	60.1	0	0	0	111.2	A354 H355 R360 R361 I362 L406	A354-L358 PolarHBondContact O-N 2.96Å; H355-L358 PolarHBondContact O-N 2.9Å; L358-R360 VanDerWaalsContact C-N 3.33Å; L358-R360 PolarHBondContact O-N 3.38Å; L358-R361 PolarHBondContact O-N 3.11Å; L358-R361 VanDerWaalsContact O-N 3.13Å; L358-I362 HydrophobicContact CD1-CD1 4.19Å; L358-I362 HydrophobicContact CD1-CG1 4.46Å; L358-I362 HydrophobicContact CG-CD1 4.04Å; L358-I362 WeakPolarHBondContact O-CG1 3.03Å; L358-I362 PolarHBondContact O-N 2.85Å; L358-L406 HydrophobicContact CD2-CD1 4.21Å; L358-L406 HydrophobicContact CD2-CD2 3.91Å; L358-L406 HydrophobicContact CG-CD1 4.32Å
359	K	62.5	Low	63.9	Low	25 Å²	25	54.7 Å²	54.7	11%	0.109	28%	0.277	C	S	.	.	H	α-helix	trans	-56	-43.6	176.2	-87	-178	157.7	-167.2	0	113.4	H355 I362 I363 F403 L406 D407	H355-K359 WeakPolarHBondContact NE2-CE 3.39Å; H355-K359 PolarHBondContact O-N 2.74Å; K359-I362 PolarHBondContact O-N 3.38Å; K359-I363 WeakPolarHBondContact O-CG1 3.01Å; K359-I363 PolarHBondContact O-N 3.16Å; K359-F403 HydrophobicContact CB-CD2 4.22Å; K359-F403 HydrophobicContact CB-CE2 3.62Å; K359-F403 HydrophobicContact CB-CZ 4.35Å; K359-F403 HydrophobicContact CD-CD2 4.33Å; K359-F403 HydrophobicContact CD-CE1 4.4Å; K359-F403 HydrophobicContact CD-CE2 3.76Å; K359-F403 HydrophobicContact CD-CZ 3.8Å; K359-F403 VanDerWaalsContact CE-O 3.26Å; K359-F403 WeakPolarHBondContact CE-O 3.45Å; K359-F403 HydrophobicContact CG-CD2 3.94Å; K359-F403 HydrophobicContact CG-CE2 3.64Å; K359-F403 HydrophobicContact CG-CZ 4.22Å; K359-L406 HydrophobicContact CG-CD1 3.97Å; K359-D407 IonicContact NZ-OD1 3.37Å; K359-D407 PolarHBondContact NZ-OD1 3.43Å; K359-D407 IonicContact NZ-OD2 2.7Å; K359-D407 PolarHBondContact NZ-OD2 2.89Å
360	R	60	Low	61.8	Low	53 Å²	53	62 Å²	62	20%	0.2	31%	0.309	C	S	.	.	H	α-helix	trans	-64.9	-40.9	175.8	-75	-179.4	-170.8	159.1	-30.7	112.7	E80 E198 R356 N357 L358 I362 I363 S364	E80-R360 IonicContact OE2-CZ 2.71Å; E80-R360 IonicContact OE2-NH1 3.87Å; E80-R360 PolarHBondContact OE2-NH1 3.04Å; E80-R360 IonicContact OE2-NH2 3.41Å; E80-R360 PolarHBondContact OE2-NH2 2.85Å; E198-R360 VanDerWaalsContact CD-NH2 3.27Å; E198-R360 IonicContact OE1-CZ 3.55Å; E198-R360 VanDerWaalsContact OE1-CZ 3.28Å; E198-R360 IonicContact OE1-NE 3.48Å; E198-R360 PolarHBondContact OE1-NE 3.46Å; E198-R360 IonicContact OE1-NH2 2.83Å; E198-R360 PolarHBondContact OE1-NH2 3.45Å; R356-R360 VanDerWaalsContact NE-NH2 3.16Å; R356-R360 WeakPolarHBondContact O-CG 3.42Å; R356-R360 PolarHBondContact O-N 2.77Å; R356-R360 VanDerWaalsContact O-N 3.07Å; N357-R360 PolarHBondContact O-N 3.47Å; N357-R360 PolarHBondContact OD1-NH1 3.29Å; L358-R360 VanDerWaalsContact C-N 3.33Å; L358-R360 PolarHBondContact O-N 3.38Å; R360-I362 VanDerWaalsContact C-N 3.34Å; R360-I363 PolarHBondContact O-N 3.11Å; R360-S364 VanDerWaalsContact O-CB 3.32Å; R360-S364 WeakPolarHBondContact O-CB 3.23Å; R360-S364 PolarHBondContact O-N 3.07Å
361	R	57.6	Low	59.9	Low	98 Å²	98	58.6 Å²	58.6	37%	0.37	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-43.2	176.6	-73.2	175.4	174.9	-128.8	3.8	111	N357 L358 S364 S365 I505 L509	N357-R361 WeakPolarHBondContact O-CG 3.44Å; N357-R361 PolarHBondContact O-N 2.75Å; L358-R361 PolarHBondContact O-N 3.11Å; L358-R361 VanDerWaalsContact O-N 3.13Å; R361-S364 WeakPolarHBondContact O-CB 3.35Å; R361-S364 PolarHBondContact O-N 3.35Å; R361-S365 PolarHBondContact O-N 3.04Å; R361-S365 PolarHBondContact O-OG 3.36Å; R361-I505 HydrophobicContact CB-CD1 4.46Å; R361-I505 HydrophobicContact CB-CG1 4.49Å; R361-I505 PolarHBondContact NH1-O 2.85Å; R361-L509 VanDerWaalsContact NH1-CG 3.32Å
362	I	56.8	Low	58	Low	21 Å²	21	54 Å²	54	11%	0.108	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-51.8	174.4	-66.8	165.3	0	0	0	110.9	L358 K359 R360 S364 S365 V366 V399 L406 I505	L358-I362 HydrophobicContact CD1-CD1 4.19Å; L358-I362 HydrophobicContact CD1-CG1 4.46Å; L358-I362 HydrophobicContact CG-CD1 4.04Å; L358-I362 WeakPolarHBondContact O-CG1 3.03Å; L358-I362 PolarHBondContact O-N 2.85Å; K359-I362 PolarHBondContact O-N 3.38Å; R360-I362 VanDerWaalsContact C-N 3.34Å; I362-S364 VanDerWaalsContact C-N 3.26Å; I362-S364 PolarHBondContact O-N 3.04Å; I362-S365 PolarHBondContact O-N 3.26Å; I362-V366 WeakPolarHBondContact O-CG2 3.27Å; I362-V366 PolarHBondContact O-N 2.81Å; I362-V366 VanDerWaalsContact O-N 3.07Å; I362-V399 HydrophobicContact CG2-CG1 4.38Å; I362-L406 HydrophobicContact CD1-CD1 3.4Å; I362-L406 VanDerWaalsContact CD1-CD1 3.4Å; I362-I505 HydrophobicContact CG1-CD1 3.98Å
363	I	54	Low	55.9	Low	73 Å²	73	56.6 Å²	56.6	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-58.7	-40.3	176.9	-69.5	172.2	0	0	0	111.1	K359 R360 V366 N367 F403	K359-I363 WeakPolarHBondContact O-CG1 3.01Å; K359-I363 PolarHBondContact O-N 3.16Å; R360-I363 PolarHBondContact O-N 3.11Å; I363-V366 PolarHBondContact O-N 2.94Å; I363-N367 WeakPolarHBondContact CG2-ND2 3.31Å; I363-N367 PolarHBondContact O-N 3.28Å; I363-N367 PolarHBondContact O-ND2 3.5Å; I363-F403 HydrophobicContact CD1-CD2 3.96Å; I363-F403 HydrophobicContact CD1-CE2 3.34Å; I363-F403 HydrophobicContact CD1-CZ 4Å; I363-F403 HydrophobicContact CG1-CD2 4.02Å; I363-F403 HydrophobicContact CG1-CE2 3.89Å
364	S	50.8	Low	53.9	Low	82 Å²	82	63 Å²	63	57%	0.573	34%	0.335	S	S	*	.	H	α-helix	trans	-63.3	-41.7	178.4	-173	0	0	0	0	112	R360 R361 I362 V366 N367 S368	R360-S364 VanDerWaalsContact O-CB 3.32Å; R360-S364 WeakPolarHBondContact O-CB 3.23Å; R360-S364 PolarHBondContact O-N 3.07Å; R361-S364 WeakPolarHBondContact O-CB 3.35Å; R361-S364 PolarHBondContact O-N 3.35Å; I362-S364 VanDerWaalsContact C-N 3.26Å; I362-S364 PolarHBondContact O-N 3.04Å; S364-V366 VanDerWaalsContact C-N 3.34Å; S364-N367 PolarHBondContact O-N 3.19Å; S364-S368 PolarHBondContact O-N 3.12Å
365	S	53.5	Low	52.2	Low	10 Å²	10	63.5 Å²	63.5	7%	0.07	35%	0.345	C	S	.	.	H	α-helix	trans	-66.7	-35.5	178	-72.9	0	0	0	0	112.5	R361 I362 N367 S368 E504	R361-S365 PolarHBondContact O-N 3.04Å; R361-S365 PolarHBondContact O-OG 3.36Å; I362-S365 PolarHBondContact O-N 3.26Å; S365-N367 VanDerWaalsContact C-N 3.29Å; S365-N367 PolarHBondContact O-N 3.04Å; S365-S368 WeakPolarHBondContact O-CB 3.38Å; S365-S368 PolarHBondContact O-N 3.43Å; S365-E504 VanDerWaalsContact CA-OE2 3.28Å; S365-E504 WeakPolarHBondContact CA-OE2 3.27Å; S365-E504 VanDerWaalsContact CB-OE2 3.22Å; S365-E504 WeakPolarHBondContact CB-OE2 3.37Å; S365-E504 PolarHBondContact OG-OE2 3.21Å
366	V	49.9	Very low	50.6	Low	34 Å²	34	67.9 Å²	67.9	21%	0.206	37%	0.369	C	S	.	.	H	α-helix	trans	-71.3	-27.8	179.6	172.2	0	0	0	0	112.4	I362 I363 S364 S368 W371 V399	I362-V366 WeakPolarHBondContact O-CG2 3.27Å; I362-V366 PolarHBondContact O-N 2.81Å; I362-V366 VanDerWaalsContact O-N 3.07Å; I363-V366 PolarHBondContact O-N 2.94Å; S364-V366 VanDerWaalsContact C-N 3.34Å; V366-S368 VanDerWaalsContact C-N 3.27Å; V366-W371 HydrophobicContact CB-CE3 4.17Å; V366-W371 HydrophobicContact CB-CZ3 4.27Å; V366-W371 HydrophobicContact CG1-CE3 3.79Å; V366-W371 HydrophobicContact CG1-CZ3 3.78Å; V366-W371 HydrophobicContact CG2-CD2 4.46Å; V366-W371 HydrophobicContact CG2-CE3 4.19Å; V366-W371 HydrophobicContact CG2-CH2 4Å; V366-W371 HydrophobicContact CG2-CZ2 4.22Å; V366-W371 HydrophobicContact CG2-CZ3 3.94Å; V366-V399 HydrophobicContact CB-CG1 4.22Å; V366-V399 HydrophobicContact CB-CG2 4.04Å; V366-V399 HydrophobicContact CG1-CB 4.27Å; V366-V399 HydrophobicContact CG1-CG1 4.07Å; V366-V399 HydrophobicContact CG1-CG2 3.71Å; V366-V399 HydrophobicContact CG2-CB 3.99Å; V366-V399 HydrophobicContact CG2-CG1 3.6Å; V366-V399 HydrophobicContact CG2-CG2 3.15Å
367	N	45.7	Very low	48.6	Very low	95 Å²	95	75.7 Å²	75.7	51%	0.508	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	5.2	172.6	-67.5	-61.6	0	0	0	112.9	N44 I363 S364 S365	N44-N367 PolarHBondContact ND2-O 2.93Å; I363-N367 WeakPolarHBondContact CG2-ND2 3.31Å; I363-N367 PolarHBondContact O-N 3.28Å; I363-N367 PolarHBondContact O-ND2 3.5Å; S364-N367 PolarHBondContact O-N 3.19Å; S365-N367 VanDerWaalsContact C-N 3.29Å; S365-N367 PolarHBondContact O-N 3.04Å
368	S	45.8	Very low	46.8	Very low	28 Å²	28	76.9 Å²	76.9	20%	0.196	43%	0.431	C	S	.	.	S	Bend	trans	-70.4	141.3	175.2	-172.5	0	0	0	0	110.5	S364 S365 V366 K370 W371 E504	S364-S368 PolarHBondContact O-N 3.12Å; S365-S368 WeakPolarHBondContact O-CB 3.38Å; S365-S368 PolarHBondContact O-N 3.43Å; V366-S368 VanDerWaalsContact C-N 3.27Å; S368-K370 PolarHBondContact O-N 3.4Å; S368-W371 WeakPolarHBondContact O-CB 3.37Å; S368-W371 PolarHBondContact O-N 2.67Å; S368-W371 VanDerWaalsContact O-N 3.07Å; S368-E504 PolarHBondContact OG-OE1 3.24Å; S368-E504 VanDerWaalsContact OG-OE1 3.1Å
369	L	44.6	Very low	45	Very low	113 Å²	113	77.4 Å²	77.4	59%	0.592	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-62.5	-21.9	174.4	-78	154.1	0	0	0	112.3	W371 S372	L369-W371 PolarHBondContact O-N 2.94Å; L369-S372 WeakPolarHBondContact O-CB 3.17Å; L369-S372 PolarHBondContact O-N 2.6Å; L369-S372 VanDerWaalsContact O-N 3.15Å
370	K	44.5	Very low	43.4	Very low	153 Å²	153	85.5 Å²	85.5	67%	0.665	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-66.2	-15.8	174.9	-63.8	-173.9	177	-174	0	113.6	S368	S368-K370 PolarHBondContact O-N 3.4Å
371	W	45.5	Very low	42	Very low	43 Å²	43	91.7 Å²	91.7	16%	0.163	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-88.7	-1.6	175.7	-106.6	50	0	0	0	113.4	V366 S368 L369 V399 T497	V366-W371 HydrophobicContact CB-CE3 4.17Å; V366-W371 HydrophobicContact CB-CZ3 4.27Å; V366-W371 HydrophobicContact CG1-CE3 3.79Å; V366-W371 HydrophobicContact CG1-CZ3 3.78Å; V366-W371 HydrophobicContact CG2-CD2 4.46Å; V366-W371 HydrophobicContact CG2-CE3 4.19Å; V366-W371 HydrophobicContact CG2-CH2 4Å; V366-W371 HydrophobicContact CG2-CZ2 4.22Å; V366-W371 HydrophobicContact CG2-CZ3 3.94Å; S368-W371 WeakPolarHBondContact O-CB 3.37Å; S368-W371 PolarHBondContact O-N 2.67Å; S368-W371 VanDerWaalsContact O-N 3.07Å; L369-W371 PolarHBondContact O-N 2.94Å; W371-V399 HydrophobicContact CH2-CG2 3.18Å; W371-V399 HydrophobicContact CZ2-CG2 4.21Å; W371-V399 HydrophobicContact CZ3-CG2 3.34Å; W371-T497 HydrophobicContact CZ2-CG2 4.31Å
372	S	40.2	Very low	40.6	Very low	47 Å²	47	93.3 Å²	93.3	33%	0.329	54%	0.542	S	S	.	.	S	Bend	trans	-78.5	132.8	176.6	-169.5	0	0	0	0	111	L369 D374 G375	L369-S372 WeakPolarHBondContact O-CB 3.17Å; L369-S372 PolarHBondContact O-N 2.6Å; L369-S372 VanDerWaalsContact O-N 3.15Å; S372-D374 PolarHBondContact O-N 2.71Å; S372-G375 PolarHBondContact O-N 2.7Å
373	P	37.2	Very low	39.3	Very low	80 Å²	80	97.9 Å²	97.9	52%	0.519	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-55	-24.4	174.9	-22.5	31.8	0	0	0	113.6	G375 I376	P373-G375 PolarHBondContact O-N 2.83Å; P373-I376 WeakPolarHBondContact O-CG1 3.47Å; P373-I376 PolarHBondContact O-N 3.36Å
374	D	38.7	Very low	38	Very low	138 Å²	138	98.9 Å²	98.9	74%	0.738	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-71.2	-7.4	179.1	-66.8	-31.6	0	0	0	114	S372 I376	S372-D374 PolarHBondContact O-N 2.71Å; D374-I376 PolarHBondContact O-N 2.65Å
375	G	35.6	Very low	37	Very low	65 Å²	65	100.5 Å²	100.5	67%	0.67	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-74.5	-2.3	171.4	0	0	0	0	0	114.1	S372 P373 Q377	S372-G375 PolarHBondContact O-N 2.7Å; P373-G375 PolarHBondContact O-N 2.83Å; G375-Q377 PolarHBondContact O-N 3.32Å
376	I	37.4	Very low	35.9	Very low	126 Å²	126	106.6 Å²	106.6	65%	0.646	60%	0.604	S	S	*	*			trans	-98.1	75.2	179.3	-50.2	173	0	0	0	108.5	P373 D374	P373-I376 WeakPolarHBondContact O-CG1 3.47Å; P373-I376 PolarHBondContact O-N 3.36Å; D374-I376 PolarHBondContact O-N 2.65Å
377	Q	29.7	Very low	35	Very low	189 Å²	189	112.6 Å²	112.6	88%	0.883	63%	0.625	S	S	*	*			trans	-114.4	93.6	165.1	-74.3	-168.3	5.4	0	0	109	G375	G375-Q377 PolarHBondContact O-N 3.32Å
378	G	28.1	Very low	34.3	Very low	77 Å²	77	113.1 Å²	113.1	79%	0.794	63%	0.627	S	S	*	*	S	Bend	trans	157.5	91.1	172	0	0	0	0	0	112.7
379	G	28	Very low	33.6	Very low	76 Å²	76	116.5 Å²	116.5	78%	0.784	65%	0.65	S	S	*	*			trans	108.8	90.6	159.3	0	0	0	0	0	117.5
380	Q	27.3	Very low	32.9	Very low	195 Å²	195	118.2 Å²	118.2	91%	0.911	66%	0.655	S	S	*	*			trans	6.8	107.9	154.2	-69.1	168.3	-53.6	0	0	119.8
381	E	31.2	Very low	32.8	Very low	183 Å²	183	114.8 Å²	114.8	86%	0.855	64%	0.644	S	S	*	*				-163.9	143.9	118.9	-109.7	-179	-171.8	0	0	110.9
382	V	28.7	Very low	32.3	Very low	131 Å²	131	121.2 Å²	121.2	79%	0.794	68%	0.676	S	S	*	*			trans	-72.8	122.1	-160.4	176.6	0	0	0	0	111.9	E384	V382-E384 HydrophobicContact CG1-CG 4.43Å
383	I	29.2	Very low	32.3	Very low	117 Å²	117	121.9 Å²	121.9	60%	0.6	68%	0.68	S	S	*	*			trans	-114.8	117.4	151.2	-57.3	179.9	0	0	0	106.8
384	E	27.4	Very low	32.2	Very low	94 Å²	94	120.1 Å²	120.1	44%	0.439	67%	0.673	S	S	.	*			trans	-56.5	140.2	-173.6	-70.4	-177.5	142.4	0	0	112.6	V382 Q386 Y387	V382-E384 HydrophobicContact CG1-CG 4.43Å; E384-Q386 HydrophobicContact CB-CG 4.04Å; E384-Q386 PolarHBondContact O-N 2.89Å; E384-Q386 PolarHBondContact OE2-NE2 3Å; E384-Y387 HydrophobicContact CB-CD2 4.19Å; E384-Y387 HydrophobicContact CB-CE2 4.41Å; E384-Y387 PolarHBondContact O-N 3.2Å; E384-Y387 VanDerWaalsContact O-N 3.15Å
385	P	29.1	Very low	32.5	Very low	117 Å²	117	115.2 Å²	115.2	76%	0.76	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-11.8	-176.8	-24.8	33.2	0	0	0	116.6
386	Q	30.6	Very low	32.9	Very low	137 Å²	137	114.7 Å²	114.7	64%	0.64	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-11.8	-177.9	56.4	-153.7	9	0	0	114.3	E384	E384-Q386 HydrophobicContact CB-CG 4.04Å; E384-Q386 PolarHBondContact O-N 2.89Å; E384-Q386 PolarHBondContact OE2-NE2 3Å
387	Y	31.1	Very low	33.3	Very low	161 Å²	161	112.5 Å²	112.5	63%	0.631	63%	0.627	S	S	*	*	S	Bend	trans	-94.6	-8.1	173.5	-64.7	-79.6	0	0	0	113.4	E384 S389	E384-Y387 HydrophobicContact CB-CD2 4.19Å; E384-Y387 HydrophobicContact CB-CE2 4.41Å; E384-Y387 PolarHBondContact O-N 3.2Å; E384-Y387 VanDerWaalsContact O-N 3.15Å; Y387-S389 VanDerWaalsContact C-N 3.35Å; Y387-S389 PolarHBondContact O-N 2.76Å
388	L	31	Very low	34.2	Very low	105 Å²	105	105.4 Å²	105.4	55%	0.55	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.3	9.8	-169.2	-86.5	147.1	0	0	0	115.5
389	S	31.1	Very low	35.4	Very low	99 Å²	99	102.5 Å²	102.5	69%	0.692	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	0.9	-176.2	66	0	0	0	0	115.6	Y387	Y387-S389 VanDerWaalsContact C-N 3.35Å; Y387-S389 PolarHBondContact O-N 2.76Å
390	H	30	Very low	36.5	Very low	149 Å²	149	105.6 Å²	105.6	69%	0.69	56%	0.556	S	S	*	*	S	Bend	trans	-132.5	5.4	-176.1	-88.1	-67.1	0	0	0	117.1	Q392 S393	H390-Q392 PolarHBondContact O-N 2.95Å; H390-S393 VanDerWaalsContact O-CB 3.25Å; H390-S393 WeakPolarHBondContact O-CB 3.25Å; H390-S393 PolarHBondContact O-N 3.44Å
391	D	41.7	Very low	37.9	Very low	81 Å²	81	103 Å²	103	43%	0.433	54%	0.541	S	S	.	.	H	α-helix	trans	-79.8	-12.9	-163.4	-107.8	-14.8	0	0	0	117.9	S393	D391-S393 PolarHBondContact O-N 2.91Å
392	Q	35.9	Very low	39.2	Very low	179 Å²	179	98.2 Å²	98.2	84%	0.836	52%	0.521	S	S	*	.	H	α-helix	trans	-68.6	-20.5	168.1	-73.1	-179.6	9.2	0	0	112.1	H390 A396	H390-Q392 PolarHBondContact O-N 2.95Å; Q392-A396 WeakPolarHBondContact O-CB 3.07Å; Q392-A396 PolarHBondContact O-N 3.14Å
393	S	39.5	Very low	40.7	Very low	60 Å²	60	94.6 Å²	94.6	42%	0.42	50%	0.495	S	S	.	.	H	α-helix	trans	-76.9	-40.6	179.8	-174.8	0	0	0	0	112.1	H390 D391 A396 I397	H390-S393 VanDerWaalsContact O-CB 3.25Å; H390-S393 WeakPolarHBondContact O-CB 3.25Å; H390-S393 PolarHBondContact O-N 3.44Å; D391-S393 PolarHBondContact O-N 2.91Å; S393-A396 PolarHBondContact O-N 2.99Å; S393-I397 VanDerWaalsContact O-CB 3.27Å; S393-I397 WeakPolarHBondContact O-CB 3.47Å; S393-I397 WeakPolarHBondContact O-CD1 3.5Å; S393-I397 WeakPolarHBondContact O-CG1 3.27Å; S393-I397 PolarHBondContact O-N 3.38Å; S393-I397 VanDerWaalsContact OG-CD1 3.26Å; S393-I397 WeakPolarHBondContact OG-CD1 3.4Å
394	A	35.5	Very low	42.1	Very low	44 Å²	44	90.2 Å²	90.2	36%	0.364	47%	0.473	S	S	.	.	H	α-helix	trans	-64.4	-47.8	-175.1	0	0	0	0	0	111.8	I397 A398	A394-I397 PolarHBondContact O-N 3.44Å; A394-A398 WeakPolarHBondContact O-CB 3.27Å; A394-A398 PolarHBondContact O-N 3.13Å
395	S	44.2	Very low	43.8	Very low	34 Å²	34	87.6 Å²	87.6	24%	0.238	47%	0.465	C	S	.	.	H	α-helix	trans	-61.6	-45.1	176	-55.8	0	0	0	0	111.7	I397 A398 V399	S395-I397 VanDerWaalsContact C-N 3.33Å; S395-I397 PolarHBondContact O-N 3.2Å; S395-A398 PolarHBondContact O-N 3.07Å; S395-V399 WeakPolarHBondContact O-CB 3.39Å; S395-V399 WeakPolarHBondContact O-CG2 3.35Å; S395-V399 PolarHBondContact O-N 2.93Å
396	A	44.2	Very low	45.4	Very low	54 Å²	54	83.3 Å²	83.3	45%	0.446	44%	0.435	S	S	.	.	H	α-helix	trans	-64.4	-35.9	175	0	0	0	0	0	112.6	Q392 S393 R400	Q392-A396 WeakPolarHBondContact O-CB 3.07Å; Q392-A396 PolarHBondContact O-N 3.14Å; S393-A396 PolarHBondContact O-N 2.99Å; A396-R400 WeakPolarHBondContact O-CB 3.35Å; A396-R400 PolarHBondContact O-N 3.46Å
397	I	46.2	Very low	46.9	Very low	80 Å²	80	79 Å²	79	41%	0.41	42%	0.417	S	S	.	.	H	α-helix	trans	-68.6	-44.7	175.6	-72	163.2	0	0	0	110.6	S393 A394 S395 R400 K401	S393-I397 VanDerWaalsContact O-CB 3.27Å; S393-I397 WeakPolarHBondContact O-CB 3.47Å; S393-I397 WeakPolarHBondContact O-CD1 3.5Å; S393-I397 WeakPolarHBondContact O-CG1 3.27Å; S393-I397 PolarHBondContact O-N 3.38Å; S393-I397 VanDerWaalsContact OG-CD1 3.26Å; S393-I397 WeakPolarHBondContact OG-CD1 3.4Å; A394-I397 PolarHBondContact O-N 3.44Å; S395-I397 VanDerWaalsContact C-N 3.33Å; S395-I397 PolarHBondContact O-N 3.2Å; I397-R400 CarbonylContact O-C 3.09Å; I397-R400 PolarHBondContact O-N 2.98Å; I397-K401 HydrophobicContact CG2-CD 4.35Å; I397-K401 HydrophobicContact CG2-CG 4.46Å; I397-K401 WeakPolarHBondContact O-CB 3.33Å; I397-K401 WeakPolarHBondContact O-CG 3.41Å; I397-K401 PolarHBondContact O-N 2.88Å
398	A	47.8	Very low	48.3	Very low	40 Å²	40	75 Å²	75	33%	0.331	40%	0.404	S	S	.	.	H	α-helix	trans	-62.4	-44.4	178.4	0	0	0	0	0	111.4	A394 S395 K401 L402	A394-A398 WeakPolarHBondContact O-CB 3.27Å; A394-A398 PolarHBondContact O-N 3.13Å; S395-A398 PolarHBondContact O-N 3.07Å; A398-K401 WeakPolarHBondContact O-CB 3.41Å; A398-K401 PolarHBondContact O-N 3.01Å; A398-L402 PolarHBondContact O-N 3.22Å
399	V	53.1	Low	49.7	Very low	16 Å²	16	71 Å²	71	10%	0.097	38%	0.383	C	S	.	.	H	α-helix	trans	-62.5	-45.2	173.7	170.7	0	0	0	0	111.1	I362 V366 W371 S395 K401 L402 F403	I362-V399 HydrophobicContact CG2-CG1 4.38Å; V366-V399 HydrophobicContact CB-CG1 4.22Å; V366-V399 HydrophobicContact CB-CG2 4.04Å; V366-V399 HydrophobicContact CG1-CB 4.27Å; V366-V399 HydrophobicContact CG1-CG1 4.07Å; V366-V399 HydrophobicContact CG1-CG2 3.71Å; V366-V399 HydrophobicContact CG2-CB 3.99Å; V366-V399 HydrophobicContact CG2-CG1 3.6Å; V366-V399 HydrophobicContact CG2-CG2 3.15Å; W371-V399 HydrophobicContact CH2-CG2 3.18Å; W371-V399 HydrophobicContact CZ2-CG2 4.21Å; W371-V399 HydrophobicContact CZ3-CG2 3.34Å; S395-V399 WeakPolarHBondContact O-CB 3.39Å; S395-V399 WeakPolarHBondContact O-CG2 3.35Å; S395-V399 PolarHBondContact O-N 2.93Å; V399-K401 VanDerWaalsContact C-N 3.28Å; V399-K401 PolarHBondContact O-N 2.8Å; V399-L402 PolarHBondContact O-N 3.31Å; V399-F403 WeakPolarHBondContact O-CB 3.29Å; V399-F403 PolarHBondContact O-N 3.07Å
400	R	52.2	Low	51	Low	141 Å²	141	66.9 Å²	66.9	53%	0.532	36%	0.355	S	S	.	.	H	α-helix	trans	-61.8	-39.4	177.6	-176	171.4	-178.6	-128.3	-4.9	110.6	A396 I397 F403 L404	A396-R400 WeakPolarHBondContact O-CB 3.35Å; A396-R400 PolarHBondContact O-N 3.46Å; I397-R400 CarbonylContact O-C 3.09Å; I397-R400 PolarHBondContact O-N 2.98Å; R400-F403 PolarHBondContact O-N 2.86Å; R400-L404 HydrophobicContact CG-CD1 3.69Å; R400-L404 HydrophobicContact CG-CG 4.36Å; R400-L404 VanDerWaalsContact O-CB 3.28Å; R400-L404 WeakPolarHBondContact O-CB 3.43Å; R400-L404 WeakPolarHBondContact O-CD1 3.36Å; R400-L404 WeakPolarHBondContact O-CG 3.45Å; R400-L404 PolarHBondContact O-N 3.09Å
401	K	56.1	Low	52.3	Low	140 Å²	140	60.5 Å²	60.5	61%	0.609	33%	0.327	S	S	*	.	H	α-helix	trans	-62.2	-53.8	173.6	-77.6	-178.7	177.8	-175.7	0	111.2	I397 A398 V399 F403 L404 S405	I397-K401 HydrophobicContact CG2-CD 4.35Å; I397-K401 HydrophobicContact CG2-CG 4.46Å; I397-K401 WeakPolarHBondContact O-CB 3.33Å; I397-K401 WeakPolarHBondContact O-CG 3.41Å; I397-K401 PolarHBondContact O-N 2.88Å; A398-K401 WeakPolarHBondContact O-CB 3.41Å; A398-K401 PolarHBondContact O-N 3.01Å; V399-K401 VanDerWaalsContact C-N 3.28Å; V399-K401 PolarHBondContact O-N 2.8Å; K401-F403 VanDerWaalsContact C-N 3.3Å; K401-F403 PolarHBondContact O-N 3.27Å; K401-L404 PolarHBondContact O-N 3.26Å; K401-L404 VanDerWaalsContact O-N 3.16Å; K401-S405 WeakPolarHBondContact O-CB 3.45Å; K401-S405 PolarHBondContact O-N 3.36Å; K401-S405 PolarHBondContact O-OG 3.26Å
402	L	58.5	Low	52.9	Low	83 Å²	83	58.5 Å²	58.5	44%	0.435	32%	0.316	S	S	.	.	H	α-helix	trans	-54.9	-46	175.5	-77.2	169.9	0	0	0	112.1	A398 V399 L404 S405 L406 T497	A398-L402 PolarHBondContact O-N 3.22Å; V399-L402 PolarHBondContact O-N 3.31Å; L402-L404 VanDerWaalsContact C-N 3.33Å; L402-L404 PolarHBondContact O-N 3.31Å; L402-S405 PolarHBondContact O-N 3.45Å; L402-L406 WeakPolarHBondContact O-CG 3.49Å; L402-L406 PolarHBondContact O-N 3.43Å; L402-T497 HydrophobicContact CD1-CG2 4.48Å
403	F	60.6	Low	53.7	Low	56 Å²	56	52.5 Å²	52.5	25%	0.246	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-40.2	179.5	-172.8	-88.3	0	0	0	112.6	K359 I363 V399 R400 K401	K359-F403 HydrophobicContact CB-CD2 4.22Å; K359-F403 HydrophobicContact CB-CE2 3.62Å; K359-F403 HydrophobicContact CB-CZ 4.35Å; K359-F403 HydrophobicContact CD-CD2 4.33Å; K359-F403 HydrophobicContact CD-CE1 4.4Å; K359-F403 HydrophobicContact CD-CE2 3.76Å; K359-F403 HydrophobicContact CD-CZ 3.8Å; K359-F403 VanDerWaalsContact CE-O 3.26Å; K359-F403 WeakPolarHBondContact CE-O 3.45Å; K359-F403 HydrophobicContact CG-CD2 3.94Å; K359-F403 HydrophobicContact CG-CE2 3.64Å; K359-F403 HydrophobicContact CG-CZ 4.22Å; I363-F403 HydrophobicContact CD1-CD2 3.96Å; I363-F403 HydrophobicContact CD1-CE2 3.34Å; I363-F403 HydrophobicContact CD1-CZ 4Å; I363-F403 HydrophobicContact CG1-CD2 4.02Å; I363-F403 HydrophobicContact CG1-CE2 3.89Å; V399-F403 WeakPolarHBondContact O-CB 3.29Å; V399-F403 PolarHBondContact O-N 3.07Å; R400-F403 PolarHBondContact O-N 2.86Å; K401-F403 VanDerWaalsContact C-N 3.3Å; K401-F403 PolarHBondContact O-N 3.27Å
404	L	58.8	Low	54.4	Low	25 Å²	25	53.9 Å²	53.9	13%	0.131	29%	0.293	C	S	.	.	H	α-helix	trans	-76	-37.1	177.2	-69.8	167	0	0	0	111.8	P277 R400 K401 L402 L406 D407 Q408	P277-L404 HydrophobicContact CG-CD2 4.01Å; R400-L404 HydrophobicContact CG-CD1 3.69Å; R400-L404 HydrophobicContact CG-CG 4.36Å; R400-L404 VanDerWaalsContact O-CB 3.28Å; R400-L404 WeakPolarHBondContact O-CB 3.43Å; R400-L404 WeakPolarHBondContact O-CD1 3.36Å; R400-L404 WeakPolarHBondContact O-CG 3.45Å; R400-L404 PolarHBondContact O-N 3.09Å; K401-L404 PolarHBondContact O-N 3.26Å; K401-L404 VanDerWaalsContact O-N 3.16Å; L402-L404 VanDerWaalsContact C-N 3.33Å; L402-L404 PolarHBondContact O-N 3.31Å; L404-L406 VanDerWaalsContact C-N 3.28Å; L404-L406 PolarHBondContact O-N 3.46Å; L404-D407 PolarHBondContact O-N 3.06Å; L404-Q408 PolarHBondContact O-N 3.5Å
405	S	62.1	Low	54.9	Low	39 Å²	39	54.4 Å²	54.4	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-34.9	175.5	-65.4	0	0	0	0	111.8	K401 L402 D407 Q408 I409	K401-S405 WeakPolarHBondContact O-CB 3.45Å; K401-S405 PolarHBondContact O-N 3.36Å; K401-S405 PolarHBondContact O-OG 3.26Å; L402-S405 PolarHBondContact O-N 3.45Å; S405-D407 VanDerWaalsContact C-N 3.3Å; S405-D407 PolarHBondContact O-N 2.93Å; S405-Q408 WeakPolarHBondContact O-CB 3.18Å; S405-Q408 PolarHBondContact O-N 3.41Å; S405-Q408 VanDerWaalsContact O-N 3.11Å; S405-I409 VanDerWaalsContact O-CG1 3.24Å; S405-I409 WeakPolarHBondContact O-CG1 3.45Å; S405-I409 PolarHBondContact O-N 2.82Å
406	L	64.2	Low	55.1	Low	26 Å²	26	55.9 Å²	55.9	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-35.5	175	-72.7	172.6	0	0	0	113.3	H355 L358 K359 I362 L402 L404 I409 A410	H355-L406 PolarHBondContact CE1-O 3.27Å; H355-L406 WeakPolarHBondContact NE2-CB 3.38Å; H355-L406 PolarHBondContact NE2-O 2.84Å; L358-L406 HydrophobicContact CD2-CD1 4.21Å; L358-L406 HydrophobicContact CD2-CD2 3.91Å; L358-L406 HydrophobicContact CG-CD1 4.32Å; K359-L406 HydrophobicContact CG-CD1 3.97Å; I362-L406 HydrophobicContact CD1-CD1 3.4Å; I362-L406 VanDerWaalsContact CD1-CD1 3.4Å; L402-L406 WeakPolarHBondContact O-CG 3.49Å; L402-L406 PolarHBondContact O-N 3.43Å; L404-L406 VanDerWaalsContact C-N 3.28Å; L404-L406 PolarHBondContact O-N 3.46Å; L406-I409 HydrophobicContact CD2-CD1 4.47Å; L406-A410 WeakPolarHBondContact O-CB 3.21Å; L406-A410 PolarHBondContact O-N 2.83Å
407	D	61.5	Low	54.9	Low	47 Å²	47	63.1 Å²	63.1	25%	0.251	32%	0.324	S	S	.	.	H	α-helix	trans	-66.4	-39.1	172.6	-75.8	-36.5	0	0	0	112.2	H355 K359 L404 S405 S411	H355-D407 IonicContact CE1-OD1 2.69Å; H355-D407 PolarHBondContact CE1-OD1 3.14Å; H355-D407 IonicContact NE2-OD1 2.81Å; K359-D407 IonicContact NZ-OD1 3.37Å; K359-D407 PolarHBondContact NZ-OD1 3.43Å; K359-D407 IonicContact NZ-OD2 2.7Å; K359-D407 PolarHBondContact NZ-OD2 2.89Å; L404-D407 PolarHBondContact O-N 3.06Å; S405-D407 VanDerWaalsContact C-N 3.3Å; S405-D407 PolarHBondContact O-N 2.93Å; D407-S411 WeakPolarHBondContact O-CB 3.48Å; D407-S411 PolarHBondContact O-N 3.1Å
408	Q	60.6	Low	54.8	Low	77 Å²	77	61.9 Å²	61.9	36%	0.36	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-46.5	177.2	-66.5	-180	-35.1	0	0	111	Q276 L404 S405 A410 S411 I412	Q276-Q408 VanDerWaalsContact NE2-CD 3.32Å; L404-Q408 PolarHBondContact O-N 3.5Å; S405-Q408 WeakPolarHBondContact O-CB 3.18Å; S405-Q408 PolarHBondContact O-N 3.41Å; S405-Q408 VanDerWaalsContact O-N 3.11Å; Q408-A410 VanDerWaalsContact C-N 3.35Å; Q408-A410 PolarHBondContact O-N 3.38Å; Q408-S411 WeakPolarHBondContact O-CB 3.25Å; Q408-S411 PolarHBondContact O-N 2.98Å; Q408-S411 VanDerWaalsContact O-N 3.17Å; Q408-I412 WeakPolarHBondContact O-CD1 3.33Å; Q408-I412 VanDerWaalsContact O-CG1 3.23Å; Q408-I412 WeakPolarHBondContact O-CG1 3.28Å; Q408-I412 PolarHBondContact O-N 2.84Å
409	I	60.4	Low	54.4	Low	21 Å²	21	61.8 Å²	61.8	11%	0.108	32%	0.315	C	S	.	.	H	α-helix	trans	-58.3	-48.2	177.2	-63.8	163.2	0	0	0	110.3	S405 L406 S411 I412 C413 I438 Y442	S405-I409 VanDerWaalsContact O-CG1 3.24Å; S405-I409 WeakPolarHBondContact O-CG1 3.45Å; S405-I409 PolarHBondContact O-N 2.82Å; L406-I409 HydrophobicContact CD2-CD1 4.47Å; I409-S411 VanDerWaalsContact C-N 3.32Å; I409-S411 PolarHBondContact O-N 3.07Å; I409-I412 PolarHBondContact O-N 3.42Å; I409-I412 VanDerWaalsContact O-N 3.16Å; I409-C413 PolarHBondContact O-N 2.93Å; I409-C413 PolarHBondContact O-SG 3.26Å; I409-I438 HydrophobicContact CD1-CG2 3.23Å; I409-I438 HydrophobicContact CG1-CG2 3.4Å; I409-Y442 HydrophobicContact CG2-CD1 4.32Å; I409-Y442 HydrophobicContact CG2-CD2 3.48Å; I409-Y442 VanDerWaalsContact CG2-CD2 3.48Å; I409-Y442 HydrophobicContact CG2-CE2 3.93Å; I409-Y442 HydrophobicContact CG2-CG 3.69Å
410	A	58.8	Low	53.6	Low	13 Å²	13	67.1 Å²	67.1	11%	0.107	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-43.4	177.1	0	0	0	0	0	112	L406 Q408 I412 C413 E414	L406-A410 WeakPolarHBondContact O-CB 3.21Å; L406-A410 PolarHBondContact O-N 2.83Å; Q408-A410 VanDerWaalsContact C-N 3.35Å; Q408-A410 PolarHBondContact O-N 3.38Å; A410-I412 VanDerWaalsContact C-N 3.3Å; A410-I412 PolarHBondContact O-N 2.96Å; A410-C413 PolarHBondContact O-N 2.76Å; A410-E414 VanDerWaalsContact O-CG 3.31Å; A410-E414 WeakPolarHBondContact O-CG 3.1Å; A410-E414 PolarHBondContact O-N 2.88Å; A410-E414 VanDerWaalsContact O-N 3.11Å
411	S	56.8	Low	52.8	Low	14 Å²	14	63 Å²	63	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-36.1	176.9	-165.9	0	0	0	0	112.7	D407 Q408 I409	D407-S411 WeakPolarHBondContact O-CB 3.48Å; D407-S411 PolarHBondContact O-N 3.1Å; Q408-S411 WeakPolarHBondContact O-CB 3.25Å; Q408-S411 PolarHBondContact O-N 2.98Å; Q408-S411 VanDerWaalsContact O-N 3.17Å; I409-S411 VanDerWaalsContact C-N 3.32Å; I409-S411 PolarHBondContact O-N 3.07Å
412	I	54.5	Low	51.9	Low	40 Å²	40	60.2 Å²	60.2	21%	0.205	33%	0.329	C	S	.	.	H	α-helix	trans	-71.1	-47.7	177.5	-65.8	157.8	0	0	0	110.4	Q408 I409 A410 E414 G415 V419 L435 L439	Q408-I412 WeakPolarHBondContact O-CD1 3.33Å; Q408-I412 VanDerWaalsContact O-CG1 3.23Å; Q408-I412 WeakPolarHBondContact O-CG1 3.28Å; Q408-I412 PolarHBondContact O-N 2.84Å; I409-I412 PolarHBondContact O-N 3.42Å; I409-I412 VanDerWaalsContact O-N 3.16Å; A410-I412 VanDerWaalsContact C-N 3.3Å; A410-I412 PolarHBondContact O-N 2.96Å; I412-E414 PolarHBondContact O-N 3.38Å; I412-G415 PolarHBondContact O-N 2.76Å; I412-G415 VanDerWaalsContact O-N 3.08Å; I412-V419 HydrophobicContact CD1-CG1 4.43Å; I412-V419 HydrophobicContact CG1-CB 4.43Å; I412-V419 HydrophobicContact CG1-CG1 3.83Å; I412-L435 HydrophobicContact CD1-CD1 3.81Å; I412-L435 HydrophobicContact CD1-CD2 3.96Å; I412-L435 HydrophobicContact CD1-CG 4.06Å; I412-L439 HydrophobicContact CB-CD2 4.47Å; I412-L439 HydrophobicContact CG2-CD1 4.01Å; I412-L439 HydrophobicContact CG2-CD2 3.85Å; I412-L439 HydrophobicContact CG2-CG 4.48Å
413	C	53.4	Low	51	Low	53 Å²	53	58.5 Å²	58.5	36%	0.358	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-23.2	179.8	-64.4	0	0	0	0	113.5	I409 A410 G415 Y442	I409-C413 PolarHBondContact O-N 2.93Å; I409-C413 PolarHBondContact O-SG 3.26Å; A410-C413 PolarHBondContact O-N 2.76Å; C413-G415 VanDerWaalsContact C-N 3.28Å; C413-G415 PolarHBondContact O-N 3.14Å; C413-Y442 HydrophobicContact CB-CE1 4.17Å; C413-Y442 VanDerWaalsContact SG-CD1 3.5Å; C413-Y442 WeakPolarHBondContact SG-CE1 3.22Å
414	E	53.7	Low	50	Low	88 Å²	88	60.8 Å²	60.8	41%	0.411	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.4	176.8	-73.9	179	-170.1	0	0	113.9	T270 A410 I412	T270-E414 WeakPolarHBondContact CG2-OE2 3.39Å; A410-E414 VanDerWaalsContact O-CG 3.31Å; A410-E414 WeakPolarHBondContact O-CG 3.1Å; A410-E414 PolarHBondContact O-N 2.88Å; A410-E414 VanDerWaalsContact O-N 3.11Å; I412-E414 PolarHBondContact O-N 3.38Å
415	G	46.5	Very low	49	Very low	56 Å²	56	67 Å²	67	58%	0.577	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	25.7	173.1	0	0	0	0	0	114.4	I412 C413 R417	I412-G415 PolarHBondContact O-N 2.76Å; I412-G415 VanDerWaalsContact O-N 3.08Å; C413-G415 VanDerWaalsContact C-N 3.28Å; C413-G415 PolarHBondContact O-N 3.14Å; G415-R417 PolarHBondContact O-N 2.81Å; G415-R417 VanDerWaalsContact O-N 3.08Å
416	D	46.5	Very low	47.7	Very low	64 Å²	64	71.6 Å²	71.6	34%	0.342	39%	0.39	S	S	.	.			trans	-73.4	98.6	172.8	-161.7	-16.8	0	0	0	110.1	T418 V419	D416-T418 PolarHBondContact O-N 3.25Å; D416-T418 WeakPolarHBondContact OD1-CB 3.39Å; D416-T418 WeakPolarHBondContact OD1-CG2 3.16Å; D416-T418 PolarHBondContact OD1-N 2.94Å; D416-T418 PolarHBondContact OD1-OG1 2.7Å; D416-T418 PolarHBondContact OD2-OG1 3.19Å; D416-V419 PolarHBondContact O-N 2.64Å
417	R	41.6	Very low	46.1	Very low	206 Å²	206	74.2 Å²	74.2	78%	0.777	42%	0.424	S	S	*	.	H	α-helix	trans	-58.6	-7	178.6	-56.7	-170.6	-151.7	-168.6	3.2	114.1	G415 V419 E420	G415-R417 PolarHBondContact O-N 2.81Å; G415-R417 VanDerWaalsContact O-N 3.08Å; R417-V419 VanDerWaalsContact C-N 3.29Å; R417-E420 PolarHBondContact O-N 3.06Å
418	T	42.7	Very low	44.8	Very low	54 Å²	54	78 Å²	78	33%	0.331	44%	0.444	S	S	.	.	H	α-helix	trans	-68.5	-29.3	172.5	55.2	0	0	0	0	112.3	D416 S421 C422	D416-T418 PolarHBondContact O-N 3.25Å; D416-T418 WeakPolarHBondContact OD1-CB 3.39Å; D416-T418 WeakPolarHBondContact OD1-CG2 3.16Å; D416-T418 PolarHBondContact OD1-N 2.94Å; D416-T418 PolarHBondContact OD1-OG1 2.7Å; D416-T418 PolarHBondContact OD2-OG1 3.19Å; T418-S421 PolarHBondContact O-N 2.68Å; T418-S421 PolarHBondContact O-OG 3.44Å; T418-C422 PolarHBondContact O-N 3.05Å
419	V	41.1	Very low	43.7	Very low	38 Å²	38	78.3 Å²	78.3	23%	0.23	47%	0.468	C	S	.	.	H	α-helix	trans	-72.2	-34	176	-170.1	0	0	0	0	111.2	I412 D416 R417 S421 C422 V423	I412-V419 HydrophobicContact CD1-CG1 4.43Å; I412-V419 HydrophobicContact CG1-CB 4.43Å; I412-V419 HydrophobicContact CG1-CG1 3.83Å; D416-V419 PolarHBondContact O-N 2.64Å; R417-V419 VanDerWaalsContact C-N 3.29Å; V419-S421 PolarHBondContact O-N 3.17Å; V419-C422 PolarHBondContact O-N 2.66Å; V419-V423 HydrophobicContact CG1-CG2 4.12Å; V419-V423 VanDerWaalsContact O-CG2 3.31Å; V419-V423 WeakPolarHBondContact O-CG2 3.39Å; V419-V423 PolarHBondContact O-N 3.2Å
420	E	34.6	Very low	42.7	Very low	128 Å²	128	81.8 Å²	81.8	60%	0.598	49%	0.491	S	S	*	.	H	α-helix	trans	-56.5	-31.4	171	-73	178.6	146.2	0	0	112.2	R417 T424	R417-E420 PolarHBondContact O-N 3.06Å; E420-T424 VanDerWaalsContact O-CG2 3.29Å; E420-T424 WeakPolarHBondContact O-CG2 3.45Å; E420-T424 PolarHBondContact O-N 3.11Å; E420-T424 PolarHBondContact O-OG1 3.19Å
421	S	36.3	Very low	42.2	Very low	55 Å²	55	84.3 Å²	84.3	39%	0.385	51%	0.505	S	S	.	.	H	α-helix	trans	-79.9	-24.4	177.2	74.7	0	0	0	0	114.2	T418 V419 T424 Q425	T418-S421 PolarHBondContact O-N 2.68Å; T418-S421 PolarHBondContact O-OG 3.44Å; V419-S421 PolarHBondContact O-N 3.17Å; S421-T424 PolarHBondContact O-OG1 3.26Å; S421-Q425 WeakPolarHBondContact O-CG 3.2Å
422	C	38	Very low	41.7	Very low	82 Å²	82	90 Å²	90	55%	0.554	53%	0.53	S	S	*	.	H	α-helix	trans	-84.5	-30.6	176.3	-72.4	0	0	0	0	112.6	T418 V419 T424	T418-C422 PolarHBondContact O-N 3.05Å; V419-C422 PolarHBondContact O-N 2.66Å; C422-T424 VanDerWaalsContact C-N 3.32Å
423	V	39.3	Very low	41.3	Very low	46 Å²	46	93.3 Å²	93.3	28%	0.279	55%	0.548	S	S	.	.	H	α-helix	trans	-72.8	-26.7	175.9	177.5	0	0	0	0	111.5	V419 L435	V419-V423 HydrophobicContact CG1-CG2 4.12Å; V419-V423 VanDerWaalsContact O-CG2 3.31Å; V419-V423 WeakPolarHBondContact O-CG2 3.39Å; V419-V423 PolarHBondContact O-N 3.2Å; V423-L435 HydrophobicContact CG2-CD2 4.49Å
424	T	38	Very low	41.1	Very low	105 Å²	105	95.1 Å²	95.1	64%	0.644	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-11.7	-177.4	49.2	0	0	0	0	115.1	E420 S421 C422	E420-T424 VanDerWaalsContact O-CG2 3.29Å; E420-T424 WeakPolarHBondContact O-CG2 3.45Å; E420-T424 PolarHBondContact O-N 3.11Å; E420-T424 PolarHBondContact O-OG1 3.19Å; S421-T424 PolarHBondContact O-OG1 3.26Å; C422-T424 VanDerWaalsContact C-N 3.32Å
425	Q	39.7	Very low	40.7	Very low	156 Å²	156	93.4 Å²	93.4	73%	0.729	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-8.8	-172.8	-73.3	-170.9	0.1	0	0	115.8	S421	S421-Q425 WeakPolarHBondContact O-CG 3.2Å
426	N	34.1	Very low	41	Very low	134 Å²	134	94.4 Å²	94.4	72%	0.717	54%	0.539	S	S	*	.	S	Bend	trans	-112.1	93.8	175.4	-77.2	-23.5	0	0	0	110.6	N428	N426-N428 VanDerWaalsContact C-N 3.27Å; N426-N428 PolarHBondContact O-N 2.59Å
427	G	29.9	Very low	41.3	Very low	82 Å²	82	95.9 Å²	95.9	85%	0.845	55%	0.547	S	S	*	.			trans	-68	55.6	-169.3	0	0	0	0	0	117.9
428	N	35.6	Very low	41.7	Very low	126 Å²	126	89.1 Å²	89.1	67%	0.674	53%	0.525	S	S	*	.			trans	-112	99.5	160.1	-80.3	-7.6	0	0	0	108.6	N426 T430 T431	N426-N428 VanDerWaalsContact C-N 3.27Å; N426-N428 PolarHBondContact O-N 2.59Å; N428-T430 PolarHBondContact O-N 2.97Å; N428-T431 PolarHBondContact O-OG1 3.49Å
429	G	36.9	Very low	42	Very low	84 Å²	84	88.8 Å²	88.8	87%	0.866	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	32.7	-172	0	0	0	0	0	116.6
430	T	38.9	Very low	42.5	Very low	94 Å²	94	92.7 Å²	92.7	58%	0.577	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-15.4	174.7	49.3	0	0	0	0	112.5	N428 D434	N428-T430 PolarHBondContact O-N 2.97Å; T430-D434 VanDerWaalsContact O-CG 3.32Å
431	T	48.4	Very low	43.1	Very low	66 Å²	66	92.7 Å²	92.7	41%	0.405	54%	0.54	S	S	.	.	H	α-helix	trans	-80.5	-21.8	-170.4	46.8	0	0	0	0	114.8	N428 L435	N428-T431 PolarHBondContact O-OG1 3.49Å; T431-L435 WeakPolarHBondContact O-CB 3.28Å; T431-L435 PolarHBondContact O-N 2.89Å; T431-L435 VanDerWaalsContact O-N 3.11Å
432	E	45.5	Very low	43.6	Very low	132 Å²	132	93.5 Å²	93.5	62%	0.617	54%	0.536	S	S	*	.	H	α-helix	trans	-74.1	-41.9	-174.9	-144.5	171.5	-161.7	0	0	112	L435 I436	E432-L435 PolarHBondContact O-N 3.37Å; E432-I436 WeakPolarHBondContact O-CD1 3.37Å; E432-I436 VanDerWaalsContact O-CG1 3.25Å; E432-I436 WeakPolarHBondContact O-CG1 3.45Å; E432-I436 PolarHBondContact O-N 2.92Å; E432-I436 VanDerWaalsContact O-N 3.07Å
433	N	47	Very low	44.2	Very low	110 Å²	110	93.7 Å²	93.7	59%	0.588	53%	0.531	S	S	*	.	H	α-helix	trans	-70	-42.1	175.2	-70.8	-23.2	0	0	0	111.7	L435 I436 D437	N433-L435 PolarHBondContact O-N 2.98Å; N433-I436 PolarHBondContact O-N 3.35Å; N433-I436 VanDerWaalsContact O-N 3.11Å; N433-D437 PolarHBondContact O-N 3.07Å
434	D	49.3	Very low	44.6	Very low	91 Å²	91	97.9 Å²	97.9	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-59.3	-37.4	176.2	-65.4	-20.9	0	0	0	111.3	T430 I438	T430-D434 VanDerWaalsContact O-CG 3.32Å; D434-I438 WeakPolarHBondContact O-CB 3.5Å; D434-I438 WeakPolarHBondContact O-CD1 2.93Å; D434-I438 WeakPolarHBondContact O-CG1 3.13Å; D434-I438 PolarHBondContact O-N 2.93Å
435	L	45.8	Very low	44.9	Very low	52 Å²	52	96.4 Å²	96.4	27%	0.272	55%	0.546	S	S	.	.	H	α-helix	trans	-69.5	-40.6	176.4	-146.5	87.5	0	0	0	111.7	I412 V423 T431 E432 N433 I438 L439	I412-L435 HydrophobicContact CD1-CD1 3.81Å; I412-L435 HydrophobicContact CD1-CD2 3.96Å; I412-L435 HydrophobicContact CD1-CG 4.06Å; V423-L435 HydrophobicContact CG2-CD2 4.49Å; T431-L435 WeakPolarHBondContact O-CB 3.28Å; T431-L435 PolarHBondContact O-N 2.89Å; T431-L435 VanDerWaalsContact O-N 3.11Å; E432-L435 PolarHBondContact O-N 3.37Å; N433-L435 PolarHBondContact O-N 2.98Å; L435-I438 PolarHBondContact O-N 3.21Å; L435-L439 HydrophobicContact CD2-CD1 4.33Å; L435-L439 HydrophobicContact CG-CD1 4.41Å; L435-L439 VanDerWaalsContact O-CB 3.31Å; L435-L439 WeakPolarHBondContact O-CB 3.44Å; L435-L439 WeakPolarHBondContact O-CD1 3.26Å; L435-L439 WeakPolarHBondContact O-CG 3.36Å; L435-L439 PolarHBondContact O-N 3.44Å
436	I	52.5	Low	45.1	Very low	78 Å²	78	93.5 Å²	93.5	40%	0.4	54%	0.535	S	S	.	.	H	α-helix	trans	-62.4	-47.6	175.5	-70	163.8	0	0	0	109.8	E432 N433 I438 L439 E440	E432-I436 WeakPolarHBondContact O-CD1 3.37Å; E432-I436 VanDerWaalsContact O-CG1 3.25Å; E432-I436 WeakPolarHBondContact O-CG1 3.45Å; E432-I436 PolarHBondContact O-N 2.92Å; E432-I436 VanDerWaalsContact O-N 3.07Å; N433-I436 PolarHBondContact O-N 3.35Å; N433-I436 VanDerWaalsContact O-N 3.11Å; I436-I438 VanDerWaalsContact C-N 3.32Å; I436-I438 PolarHBondContact O-N 3.34Å; I436-L439 CarbonylContact O-C 3.49Å; I436-L439 PolarHBondContact O-N 3.44Å; I436-L439 VanDerWaalsContact O-N 3.16Å; I436-E440 HydrophobicContact CG2-CG 4.21Å; I436-E440 WeakPolarHBondContact O-CB 3.43Å; I436-E440 WeakPolarHBondContact O-CG 3.18Å; I436-E440 PolarHBondContact O-N 3.08Å
437	D	52.2	Low	45.5	Very low	95 Å²	95	93.4 Å²	93.4	51%	0.508	53%	0.534	S	S	.	.	H	α-helix	trans	-61.7	-40.6	179.2	-69	-20.6	0	0	0	111.6	N433 L441	N433-D437 PolarHBondContact O-N 3.07Å; D437-L441 VanDerWaalsContact O-CB 3.27Å; D437-L441 WeakPolarHBondContact O-CB 3.38Å; D437-L441 PolarHBondContact O-N 3Å
438	I	49.5	Very low	45.7	Very low	64 Å²	64	91.7 Å²	91.7	33%	0.328	51%	0.507	S	S	.	.	H	α-helix	trans	-67.8	-39.8	176.2	-72	169.4	0	0	0	111.4	I409 D434 L435 I436 L441 Y442	I409-I438 HydrophobicContact CD1-CG2 3.23Å; I409-I438 HydrophobicContact CG1-CG2 3.4Å; D434-I438 WeakPolarHBondContact O-CB 3.5Å; D434-I438 WeakPolarHBondContact O-CD1 2.93Å; D434-I438 WeakPolarHBondContact O-CG1 3.13Å; D434-I438 PolarHBondContact O-N 2.93Å; L435-I438 PolarHBondContact O-N 3.21Å; I436-I438 VanDerWaalsContact C-N 3.32Å; I436-I438 PolarHBondContact O-N 3.34Å; I438-L441 PolarHBondContact O-N 2.98Å; I438-Y442 WeakPolarHBondContact O-CB 3.35Å; I438-Y442 PolarHBondContact O-N 2.72Å
439	L	49	Very low	45.6	Very low	47 Å²	47	91.4 Å²	91.4	25%	0.246	52%	0.515	C	S	.	.	H	α-helix	trans	-70.8	-39.1	176.9	-73.6	168.6	0	0	0	111.5	I412 L435 I436 L441 Y442 D443	I412-L439 HydrophobicContact CB-CD2 4.47Å; I412-L439 HydrophobicContact CG2-CD1 4.01Å; I412-L439 HydrophobicContact CG2-CD2 3.85Å; I412-L439 HydrophobicContact CG2-CG 4.48Å; L435-L439 HydrophobicContact CD2-CD1 4.33Å; L435-L439 HydrophobicContact CG-CD1 4.41Å; L435-L439 VanDerWaalsContact O-CB 3.31Å; L435-L439 WeakPolarHBondContact O-CB 3.44Å; L435-L439 WeakPolarHBondContact O-CD1 3.26Å; L435-L439 WeakPolarHBondContact O-CG 3.36Å; L435-L439 PolarHBondContact O-N 3.44Å; I436-L439 CarbonylContact O-C 3.49Å; I436-L439 PolarHBondContact O-N 3.44Å; I436-L439 VanDerWaalsContact O-N 3.16Å; L439-L441 VanDerWaalsContact C-N 3.33Å; L439-Y442 PolarHBondContact O-N 3.44Å; L439-D443 VanDerWaalsContact O-CB 3.31Å; L439-D443 WeakPolarHBondContact O-CB 3.49Å; L439-D443 PolarHBondContact O-N 3.01Å
440	E	52	Low	45.3	Very low	120 Å²	120	92 Å²	92	56%	0.561	50%	0.498	S	S	*	.	H	α-helix	trans	-62.8	-40	172.2	-77.6	-170.3	173.8	0	0	111	I436 H444	I436-E440 HydrophobicContact CG2-CG 4.21Å; I436-E440 WeakPolarHBondContact O-CB 3.43Å; I436-E440 WeakPolarHBondContact O-CG 3.18Å; I436-E440 PolarHBondContact O-N 3.08Å; E440-H444 VanDerWaalsContact O-CB 3.27Å; E440-H444 WeakPolarHBondContact O-CB 3.45Å; E440-H444 PolarHBondContact O-N 3.01Å
441	L	47.4	Very low	44.9	Very low	127 Å²	127	99.8 Å²	99.8	67%	0.665	52%	0.516	S	S	*	.	H	α-helix	trans	-66	-41.2	173.8	-171.1	77.1	0	0	0	111.7	D437 I438 L439 H444 A445	D437-L441 VanDerWaalsContact O-CB 3.27Å; D437-L441 WeakPolarHBondContact O-CB 3.38Å; D437-L441 PolarHBondContact O-N 3Å; I438-L441 PolarHBondContact O-N 2.98Å; L439-L441 VanDerWaalsContact C-N 3.33Å; L441-H444 PolarHBondContact O-N 2.95Å; L441-A445 WeakPolarHBondContact O-CB 3.41Å; L441-A445 PolarHBondContact O-N 2.62Å
442	Y	47.1	Very low	44.3	Very low	73 Å²	73	102 Å²	102	29%	0.286	53%	0.526	S	S	.	.	H	α-helix	trans	-67.1	-43.1	176.4	-176.9	-93.4	0	0	0	111.7	I409 C413 I438 L439 A445 N446	I409-Y442 HydrophobicContact CG2-CD1 4.32Å; I409-Y442 HydrophobicContact CG2-CD2 3.48Å; I409-Y442 VanDerWaalsContact CG2-CD2 3.48Å; I409-Y442 HydrophobicContact CG2-CE2 3.93Å; I409-Y442 HydrophobicContact CG2-CG 3.69Å; C413-Y442 HydrophobicContact CB-CE1 4.17Å; C413-Y442 VanDerWaalsContact SG-CD1 3.5Å; C413-Y442 WeakPolarHBondContact SG-CE1 3.22Å; I438-Y442 WeakPolarHBondContact O-CB 3.35Å; I438-Y442 PolarHBondContact O-N 2.72Å; L439-Y442 PolarHBondContact O-N 3.44Å; Y442-A445 PolarHBondContact O-N 3.48Å; Y442-N446 VanDerWaalsContact CD1-ND2 3.33Å; Y442-N446 WeakPolarHBondContact CD1-ND2 2.93Å; Y442-N446 WeakPolarHBondContact CE1-ND2 3.42Å; Y442-N446 WeakPolarHBondContact CE2-ND2 2.95Å; Y442-N446 WeakPolarHBondContact O-CB 3.31Å; Y442-N446 PolarHBondContact O-N 3.01Å; Y442-N446 PolarHBondContact O-ND2 3.37Å
443	D	51.3	Low	44.1	Very low	85 Å²	85	100.5 Å²	100.5	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-67.2	-38.3	174.1	-95.7	2.7	0	0	0	110.7	L439 A445 N446 L447	L439-D443 VanDerWaalsContact O-CB 3.31Å; L439-D443 WeakPolarHBondContact O-CB 3.49Å; L439-D443 PolarHBondContact O-N 3.01Å; D443-A445 PolarHBondContact O-N 3.1Å; D443-N446 PolarHBondContact O-N 3.07Å; D443-L447 HydrophobicContact CB-CD1 3.84Å; D443-L447 WeakPolarHBondContact O-CA 3.26Å; D443-L447 WeakPolarHBondContact O-CB 3.39Å; D443-L447 WeakPolarHBondContact O-CG 3.34Å; D443-L447 PolarHBondContact O-N 3.19Å
444	H	46.3	Very low	44	Very low	134 Å²	134	95.9 Å²	95.9	62%	0.62	51%	0.508	S	S	*	.	H	α-helix	trans	-59.9	-46.4	169.5	-115.8	70.7	0	0	0	111	E440 L441 N446 V448	E440-H444 VanDerWaalsContact O-CB 3.27Å; E440-H444 WeakPolarHBondContact O-CB 3.45Å; E440-H444 PolarHBondContact O-N 3.01Å; L441-H444 PolarHBondContact O-N 2.95Å; H444-N446 VanDerWaalsContact C-N 3.27Å; H444-N446 PolarHBondContact O-N 3.25Å; H444-V448 WeakPolarHBondContact O-CB 3.18Å; H444-V448 WeakPolarHBondContact O-CG2 3.48Å; H444-V448 PolarHBondContact O-N 3.4Å
445	A	44.6	Very low	44.1	Very low	75 Å²	75	94.3 Å²	94.3	62%	0.62	50%	0.502	S	S	*	.	H	α-helix	trans	-65.6	-27.4	179.6	0	0	0	0	0	113.4	L441 Y442 D443	L441-A445 WeakPolarHBondContact O-CB 3.41Å; L441-A445 PolarHBondContact O-N 2.62Å; Y442-A445 PolarHBondContact O-N 3.48Å; D443-A445 PolarHBondContact O-N 3.1Å
446	N	43.2	Very low	44.7	Very low	94 Å²	94	95.1 Å²	95.1	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-103.1	-31	-176.1	-74.2	-67	0	0	0	115.3	Y442 D443 H444	Y442-N446 VanDerWaalsContact CD1-ND2 3.33Å; Y442-N446 WeakPolarHBondContact CD1-ND2 2.93Å; Y442-N446 WeakPolarHBondContact CE1-ND2 3.42Å; Y442-N446 WeakPolarHBondContact CE2-ND2 2.95Å; Y442-N446 WeakPolarHBondContact O-CB 3.31Å; Y442-N446 PolarHBondContact O-N 3.01Å; Y442-N446 PolarHBondContact O-ND2 3.37Å; D443-N446 PolarHBondContact O-N 3.07Å; H444-N446 VanDerWaalsContact C-N 3.27Å; H444-N446 PolarHBondContact O-N 3.25Å
447	L	42.5	Very low	45.3	Very low	132 Å²	132	99.8 Å²	99.8	69%	0.691	52%	0.523	S	S	*	.	H	α-helix	trans	-88.5	-16.9	179	-70.7	161.4	0	0	0	112.5	D443 S449	D443-L447 HydrophobicContact CB-CD1 3.84Å; D443-L447 WeakPolarHBondContact O-CA 3.26Å; D443-L447 WeakPolarHBondContact O-CB 3.39Å; D443-L447 WeakPolarHBondContact O-CG 3.34Å; D443-L447 PolarHBondContact O-N 3.19Å; L447-S449 VanDerWaalsContact C-N 3.27Å; L447-S449 PolarHBondContact O-N 3.05Å
448	V	34.8	Very low	46.4	Very low	47 Å²	47	97.6 Å²	97.6	29%	0.285	51%	0.512	S	S	.	.			trans	-78.4	81.1	172	175.9	0	0	0	0	109.4	H444 L450 L452	H444-V448 WeakPolarHBondContact O-CB 3.18Å; H444-V448 WeakPolarHBondContact O-CG2 3.48Å; H444-V448 PolarHBondContact O-N 3.4Å; V448-L450 HydrophobicContact CB-CD1 4.35Å; V448-L450 HydrophobicContact CG1-CB 3.32Å; V448-L450 HydrophobicContact CG1-CD1 3.44Å; V448-L450 VanDerWaalsContact CG1-CD1 3.44Å; V448-L450 HydrophobicContact CG1-CG 3.53Å; V448-L450 HydrophobicContact CG2-CD1 4.05Å; V448-L450 PolarHBondContact O-N 2.78Å; V448-L452 HydrophobicContact CG1-CD1 3.95Å
449	S	32.5	Very low	47.7	Very low	119 Å²	119	95 Å²	95	83%	0.832	50%	0.5	S	S	*	.			trans	-71.4	37.3	148.2	-69.7	0	0	0	0	111	L447 R451	L447-S449 VanDerWaalsContact C-N 3.27Å; L447-S449 PolarHBondContact O-N 3.05Å; S449-R451 PolarHBondContact O-N 3.32Å
450	L	30.7	Very low	49.1	Very low	96 Å²	96	98 Å²	98	50%	0.503	51%	0.509	S	S	.	.			trans	-81.5	123.7	170.5	-65.2	156	0	0	0	106.7	V448 L452	V448-L450 HydrophobicContact CB-CD1 4.35Å; V448-L450 HydrophobicContact CG1-CB 3.32Å; V448-L450 HydrophobicContact CG1-CD1 3.44Å; V448-L450 VanDerWaalsContact CG1-CD1 3.44Å; V448-L450 HydrophobicContact CG1-CG 3.53Å; V448-L450 HydrophobicContact CG2-CD1 4.05Å; V448-L450 PolarHBondContact O-N 2.78Å; L450-L452 HydrophobicContact CB-CB 4.27Å; L450-L452 HydrophobicContact CB-CD1 3.34Å; L450-L452 HydrophobicContact CB-CG 3.51Å; L450-L452 HydrophobicContact CD1-CD1 3.52Å; L450-L452 HydrophobicContact CD1-CG 4.45Å; L450-L452 HydrophobicContact CG-CD1 3.97Å; L450-L452 HydrophobicContact CG-CG 4.48Å; L450-L452 PolarHBondContact O-N 2.8Å
451	R	31.9	Very low	50.4	Low	258 Å²	258	97.1 Å²	97.1	97%	0.974	50%	0.504	S	S	*	.			trans	-48.8	89.9	151.8	-59.8	173.9	-179.1	179.9	-3.1	107.4	S449	S449-R451 PolarHBondContact O-N 3.32Å
452	L	35.3	Very low	52	Low	114 Å²	114	97.8 Å²	97.8	60%	0.597	50%	0.498	S	S	*	.			trans	-133.4	125.1	-176.6	-86.7	170.3	0	0	0	109.3	V448 L450 G454	V448-L452 HydrophobicContact CG1-CD1 3.95Å; L450-L452 HydrophobicContact CB-CB 4.27Å; L450-L452 HydrophobicContact CB-CD1 3.34Å; L450-L452 HydrophobicContact CB-CG 3.51Å; L450-L452 HydrophobicContact CD1-CD1 3.52Å; L450-L452 HydrophobicContact CD1-CG 4.45Å; L450-L452 HydrophobicContact CG-CD1 3.97Å; L450-L452 HydrophobicContact CG-CG 4.48Å; L450-L452 PolarHBondContact O-N 2.8Å; L452-G454 PolarHBondContact O-N 3.43Å
453	S	40.4	Very low	53.7	Low	99 Å²	99	94.7 Å²	94.7	69%	0.692	49%	0.486	S	S	*	.			trans	-25.8	131.2	147	172	0	0	0	0	110.2
454	G	45.9	Very low	55.2	Low	13 Å²	13	94.8 Å²	94.8	13%	0.134	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-52.2	157	172.4	0	0	0	0	0	110.6	L452	L452-G454 PolarHBondContact O-N 3.43Å
455	P	51.9	Low	57	Low	58 Å²	58	91.5 Å²	91.5	38%	0.377	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-49.7	136	173.7	21.3	-31.3	0	0	0	108.8	W457 A502 F506	P455-W457 PolarHBondContact O-N 3.07Å; P455-A502 HydrophobicContact CB-CB 4.33Å; P455-A502 HydrophobicContact CG-CB 3.85Å; P455-F506 HydrophobicContact CG-CB 4.34Å; P455-F506 HydrophobicContact CG-CD2 3.85Å; P455-F506 HydrophobicContact CG-CE2 4.37Å; P455-F506 HydrophobicContact CG-CG 4.12Å
456	P	57.2	Low	58.7	Low	70 Å²	70	89.6 Å²	89.6	46%	0.455	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-60.9	136.4	179.8	28	-34.8	0	0	0	108.9	D458	P456-D458 VanDerWaalsContact CB-OD1 3.3Å; P456-D458 WeakPolarHBondContact CB-OD1 3.4Å; P456-D458 WeakPolarHBondContact CG-OD1 3.09Å; P456-D458 PolarHBondContact O-N 3.45Å; P456-D458 VanDerWaalsContact O-N 3.13Å
457	W	66.1	Low	60.6	Low	175 Å²	175	86.2 Å²	86.2	66%	0.663	44%	0.438	S	S	*	.	S	Bend	trans	-84.4	35.7	179	53	58	0	0	0	111.8	P455 D499 A502 A507	P455-W457 PolarHBondContact O-N 3.07Å; W457-D499 WeakPolarHBondContact CA-OD1 3.38Å; W457-A502 HydrophobicContact CB-CB 4.29Å; W457-A507 HydrophobicContact CE3-CB 4.45Å; W457-A507 HydrophobicContact CZ3-CB 3.97Å
458	D	74.2	Confident	62.6	Low	49 Å²	49	85.6 Å²	85.6	26%	0.262	43%	0.431	S	S	.	.			trans	-113.4	14.6	-173.2	69.5	-11.6	0	0	0	112.1	P456 R460 Q461 R462 D499	P456-D458 VanDerWaalsContact CB-OD1 3.3Å; P456-D458 WeakPolarHBondContact CB-OD1 3.4Å; P456-D458 WeakPolarHBondContact CG-OD1 3.09Å; P456-D458 PolarHBondContact O-N 3.45Å; P456-D458 VanDerWaalsContact O-N 3.13Å; D458-R460 VanDerWaalsContact C-N 3.33Å; D458-R460 PolarHBondContact O-N 2.8Å; D458-Q461 HydrophobicContact CB-CB 4.34Å; D458-Q461 CarbonylContact O-C 3.59Å; D458-Q461 WeakPolarHBondContact O-CB 3.07Å; D458-Q461 PolarHBondContact O-N 3.02Å; D458-Q461 VanDerWaalsContact O-N 3.12Å; D458-R462 VanDerWaalsContact O-CG 3.3Å; D458-R462 WeakPolarHBondContact O-CG 3.37Å; D458-R462 PolarHBondContact O-N 3.29Å; D458-R462 IonicContact OD1-CZ 3.8Å; D458-R462 IonicContact OD1-NE 2.83Å; D458-R462 PolarHBondContact OD1-NE 3.31Å; D458-R462 IonicContact OD1-NH2 3.98Å; D458-R462 PolarHBondContact OD1-NH2 2.78Å; D458-R462 IonicContact OD2-CZ 3.77Å; D458-R462 IonicContact OD2-NE 3.45Å; D458-R462 PolarHBondContact OD2-NE 2.97Å; D458-R462 IonicContact OD2-NH2 2.69Å; D458-R462 PolarHBondContact OD2-NH2 2.55Å; D458-D499 PolarHBondContact N-OD1 2.69Å
459	A	77.2	Confident	64.8	Low	11 Å²	11	90.3 Å²	90.3	9%	0.091	45%	0.45	C	S	.	.	H	α-helix	trans	-58.9	-47.3	-177.6	0	0	0	0	0	110	Q461 R462 L463 F495 I498 D499	A459-Q461 VanDerWaalsContact C-N 3.34Å; A459-Q461 PolarHBondContact O-N 3.3Å; A459-R462 WeakPolarHBondContact O-CB 3.24Å; A459-R462 PolarHBondContact O-N 3.49Å; A459-L463 PolarHBondContact O-N 2.88Å; A459-F495 HydrophobicContact CB-CB 4.46Å; A459-F495 HydrophobicContact CB-CD1 3.75Å; A459-F495 WeakPolarHBondContact O-CD1 3.13Å; A459-I498 HydrophobicContact CB-CB 4.24Å; A459-I498 HydrophobicContact CB-CG2 3.88Å; A459-D499 WeakPolarHBondContact CA-OD1 3.24Å; A459-D499 WeakPolarHBondContact CB-OD1 3.38Å; A459-D499 PolarHBondContact N-OD1 3.37Å
460	R	79.1	Confident	67.1	Low	110 Å²	110	86.4 Å²	86.4	42%	0.415	42%	0.42	S	S	.	.	H	α-helix	trans	-60.3	-42.4	174.9	-178.1	176.8	175.2	158.2	0.8	112.3	D458 R462 L463 E464 D499	D458-R460 VanDerWaalsContact C-N 3.33Å; D458-R460 PolarHBondContact O-N 2.8Å; R460-R462 VanDerWaalsContact C-N 3.32Å; R460-R462 PolarHBondContact O-N 3.01Å; R460-L463 WeakPolarHBondContact O-CB 3.41Å; R460-L463 PolarHBondContact O-N 3.47Å; R460-E464 IonicContact CZ-OE1 2.76Å; R460-E464 IonicContact NE-OE1 2.7Å; R460-E464 PolarHBondContact NE-OE1 3.09Å; R460-E464 IonicContact NH2-OE1 3.1Å; R460-E464 WeakPolarHBondContact O-CG 3.26Å; R460-E464 PolarHBondContact O-N 3.02Å; R460-D499 WeakPolarHBondContact CB-OD2 3.22Å; R460-D499 PolarHBondContact N-OD2 2.81Å
461	Q	79.4	Confident	69.4	Low	100 Å²	100	84.7 Å²	84.7	47%	0.467	42%	0.42	S	S	.	.	H	α-helix	trans	-63.3	-39.8	176.9	-173.4	66.1	59.8	0	0	111.5	D458 A459 L463 E464 N465	D458-Q461 HydrophobicContact CB-CB 4.34Å; D458-Q461 CarbonylContact O-C 3.59Å; D458-Q461 WeakPolarHBondContact O-CB 3.07Å; D458-Q461 PolarHBondContact O-N 3.02Å; D458-Q461 VanDerWaalsContact O-N 3.12Å; A459-Q461 VanDerWaalsContact C-N 3.34Å; A459-Q461 PolarHBondContact O-N 3.3Å; Q461-L463 VanDerWaalsContact C-N 3.34Å; Q461-E464 PolarHBondContact O-N 2.66Å; Q461-N465 PolarHBondContact NE2-OD1 2.86Å; Q461-N465 WeakPolarHBondContact O-CB 3.39Å; Q461-N465 PolarHBondContact O-N 3.23Å; Q461-N465 PolarHBondContact O-OD1 3.49Å
462	R	80	Confident	71.5	Confident	141 Å²	141	78.7 Å²	78.7	53%	0.532	41%	0.407	S	S	.	.	H	α-helix	trans	-65.1	-39.2	175.3	-71	174.5	-172.3	-137.6	-0.6	111.7	D458 A459 R460 A466	D458-R462 VanDerWaalsContact O-CG 3.3Å; D458-R462 WeakPolarHBondContact O-CG 3.37Å; D458-R462 PolarHBondContact O-N 3.29Å; D458-R462 IonicContact OD1-CZ 3.8Å; D458-R462 IonicContact OD1-NE 2.83Å; D458-R462 PolarHBondContact OD1-NE 3.31Å; D458-R462 IonicContact OD1-NH2 3.98Å; D458-R462 PolarHBondContact OD1-NH2 2.78Å; D458-R462 IonicContact OD2-CZ 3.77Å; D458-R462 IonicContact OD2-NE 3.45Å; D458-R462 PolarHBondContact OD2-NE 2.97Å; D458-R462 IonicContact OD2-NH2 2.69Å; D458-R462 PolarHBondContact OD2-NH2 2.55Å; A459-R462 WeakPolarHBondContact O-CB 3.24Å; A459-R462 PolarHBondContact O-N 3.49Å; R460-R462 VanDerWaalsContact C-N 3.32Å; R460-R462 PolarHBondContact O-N 3.01Å; R462-A466 VanDerWaalsContact O-CB 3.27Å; R462-A466 WeakPolarHBondContact O-CB 3.24Å; R462-A466 PolarHBondContact O-N 3.15Å
463	L	84.1	Confident	73.1	Confident	9 Å²	9	75.5 Å²	75.5	5%	0.047	40%	0.397	C	S	.	.	H	α-helix	trans	-61.8	-48	173.7	-179.8	66.3	0	0	0	110.6	A459 R460 Q461 A466 V467 L486 I491 K492 F495	A459-L463 PolarHBondContact O-N 2.88Å; R460-L463 WeakPolarHBondContact O-CB 3.41Å; R460-L463 PolarHBondContact O-N 3.47Å; Q461-L463 VanDerWaalsContact C-N 3.34Å; L463-A466 PolarHBondContact O-N 3.23Å; L463-V467 HydrophobicContact CD1-CG2 4.5Å; L463-V467 VanDerWaalsContact O-CG2 3.31Å; L463-V467 WeakPolarHBondContact O-CG2 3.35Å; L463-V467 PolarHBondContact O-N 2.96Å; L463-L486 HydrophobicContact CD1-CB 3.85Å; L463-L486 HydrophobicContact CD1-CD1 4.47Å; L463-L486 HydrophobicContact CD1-CD2 3.71Å; L463-L486 HydrophobicContact CD1-CG 4.2Å; L463-I491 HydrophobicContact CD1-CG2 4.04Å; L463-I491 HydrophobicContact CD2-CG2 4.23Å; L463-K492 HydrophobicContact CD2-CG 4.04Å; L463-F495 HydrophobicContact CB-CD1 3.88Å; L463-F495 HydrophobicContact CB-CE1 4.15Å; L463-F495 HydrophobicContact CB-CG 4.25Å; L463-F495 HydrophobicContact CD1-CE2 4.42Å; L463-F495 HydrophobicContact CD1-CZ 4.41Å; L463-F495 HydrophobicContact CD2-CB 4.1Å; L463-F495 HydrophobicContact CD2-CD2 4.25Å; L463-F495 HydrophobicContact CD2-CG 4.04Å
464	E	82.2	Confident	74.6	Confident	86 Å²	86	77.4 Å²	77.4	40%	0.402	40%	0.399	S	S	.	.	H	α-helix	trans	-60.5	-46.8	177.6	-73.3	170.6	-173.3	0	0	111.3	R460 Q461 A466 V467 E468	R460-E464 IonicContact CZ-OE1 2.76Å; R460-E464 IonicContact NE-OE1 2.7Å; R460-E464 PolarHBondContact NE-OE1 3.09Å; R460-E464 IonicContact NH2-OE1 3.1Å; R460-E464 WeakPolarHBondContact O-CG 3.26Å; R460-E464 PolarHBondContact O-N 3.02Å; Q461-E464 PolarHBondContact O-N 2.66Å; E464-A466 VanDerWaalsContact C-N 3.33Å; E464-A466 PolarHBondContact O-N 3.13Å; E464-V467 PolarHBondContact O-N 2.95Å; E464-E468 WeakPolarHBondContact O-CB 3.42Å; E464-E468 PolarHBondContact O-N 2.9Å
465	N	83	Confident	75.7	Confident	66 Å²	66	85.5 Å²	85.5	35%	0.353	43%	0.433	S	S	.	.	H	α-helix	trans	-62.1	-38.1	175.8	-67.1	-4.5	0	0	0	112.4	Q461 E468 Q469	Q461-N465 PolarHBondContact NE2-OD1 2.86Å; Q461-N465 WeakPolarHBondContact O-CB 3.39Å; Q461-N465 PolarHBondContact O-N 3.23Å; Q461-N465 PolarHBondContact O-OD1 3.49Å; N465-E468 PolarHBondContact O-N 3.01Å; N465-Q469 WeakPolarHBondContact O-CB 3.24Å; N465-Q469 VanDerWaalsContact O-CG 3.31Å; N465-Q469 WeakPolarHBondContact O-CG 3.28Å; N465-Q469 PolarHBondContact O-N 2.92Å
466	A	81.6	Confident	76.9	Confident	34 Å²	34	87.4 Å²	87.4	28%	0.281	44%	0.44	S	S	.	.	H	α-helix	trans	-68.1	-42	177.5	0	0	0	0	0	111.5	R462 L463 E464 E468 Q469 L470 L486	R462-A466 VanDerWaalsContact O-CB 3.27Å; R462-A466 WeakPolarHBondContact O-CB 3.24Å; R462-A466 PolarHBondContact O-N 3.15Å; L463-A466 PolarHBondContact O-N 3.23Å; E464-A466 VanDerWaalsContact C-N 3.33Å; E464-A466 PolarHBondContact O-N 3.13Å; A466-E468 VanDerWaalsContact C-N 3.32Å; A466-Q469 PolarHBondContact O-N 3.47Å; A466-L470 WeakPolarHBondContact O-CB 3.34Å; A466-L470 VanDerWaalsContact O-CG 3.27Å; A466-L470 WeakPolarHBondContact O-CG 3.27Å; A466-L470 PolarHBondContact O-N 3.05Å; A466-L486 HydrophobicContact CB-CD1 4.36Å
467	V	83.6	Confident	77.9	Confident	23 Å²	23	90.4 Å²	90.4	14%	0.139	45%	0.452	C	S	.	.	H	α-helix	trans	-63.6	-39.2	175.1	171.2	0	0	0	0	111	L463 E464 L470 A471 Q483 L486	L463-V467 HydrophobicContact CD1-CG2 4.5Å; L463-V467 VanDerWaalsContact O-CG2 3.31Å; L463-V467 WeakPolarHBondContact O-CG2 3.35Å; L463-V467 PolarHBondContact O-N 2.96Å; E464-V467 PolarHBondContact O-N 2.95Å; V467-L470 PolarHBondContact O-N 2.89Å; V467-A471 WeakPolarHBondContact O-CB 3.37Å; V467-A471 PolarHBondContact O-N 3.45Å; V467-Q483 HydrophobicContact CG1-CG 4.4Å; V467-L486 HydrophobicContact CG2-CB 3.76Å; V467-L486 HydrophobicContact CG2-CD1 4.34Å
468	E	83.3	Confident	78.6	Confident	120 Å²	120	88.8 Å²	88.8	56%	0.561	45%	0.451	S	S	*	.	H	α-helix	trans	-67.2	-41.6	175.6	-171.3	-179.3	-175	0	0	112.3	E464 N465 A466 L470 A471 N472	E464-E468 WeakPolarHBondContact O-CB 3.42Å; E464-E468 PolarHBondContact O-N 2.9Å; N465-E468 PolarHBondContact O-N 3.01Å; A466-E468 VanDerWaalsContact C-N 3.32Å; E468-L470 VanDerWaalsContact C-N 3.32Å; E468-L470 PolarHBondContact O-N 2.91Å; E468-A471 WeakPolarHBondContact O-CB 3.14Å; E468-A471 PolarHBondContact O-N 3.24Å; E468-N472 PolarHBondContact O-N 3.4Å; E468-N472 PolarHBondContact O-ND2 2.99Å; E468-N472 VanDerWaalsContact O-ND2 3.12Å
469	Q	81.2	Confident	78.6	Confident	146 Å²	146	87.2 Å²	87.2	68%	0.682	45%	0.445	S	S	*	.	H	α-helix	trans	-63.4	-38.3	174.5	-76	179.9	21.6	0	0	112.2	N465 A466 N472 A473	N465-Q469 WeakPolarHBondContact O-CB 3.24Å; N465-Q469 VanDerWaalsContact O-CG 3.31Å; N465-Q469 WeakPolarHBondContact O-CG 3.28Å; N465-Q469 PolarHBondContact O-N 2.92Å; A466-Q469 PolarHBondContact O-N 3.47Å; Q469-N472 PolarHBondContact O-N 3.12Å; Q469-A473 PolarHBondContact O-N 3.4Å
470	L	81.1	Confident	78.6	Confident	36 Å²	36	90.7 Å²	90.7	19%	0.188	46%	0.461	C	S	.	.	H	α-helix	trans	-69.5	-33.2	175.8	-71.1	166.5	0	0	0	112.4	A466 V467 E468 N472 A473 A479 L482 Q483 L486	A466-L470 WeakPolarHBondContact O-CB 3.34Å; A466-L470 VanDerWaalsContact O-CG 3.27Å; A466-L470 WeakPolarHBondContact O-CG 3.27Å; A466-L470 PolarHBondContact O-N 3.05Å; V467-L470 PolarHBondContact O-N 2.89Å; E468-L470 VanDerWaalsContact C-N 3.32Å; E468-L470 PolarHBondContact O-N 2.91Å; L470-N472 PolarHBondContact O-N 2.81Å; L470-A473 PolarHBondContact O-N 3.11Å; L470-A479 HydrophobicContact CD2-CB 4.18Å; L470-L482 HydrophobicContact CD1-CB 4.21Å; L470-L482 HydrophobicContact CD1-CD2 3.74Å; L470-L482 HydrophobicContact CD1-CG 3.72Å; L470-L482 HydrophobicContact CD2-CD2 3.89Å; L470-L482 HydrophobicContact CG-CD2 4.45Å; L470-Q483 HydrophobicContact CB-CB 4.5Å; L470-L486 HydrophobicContact CD1-CD1 3.61Å
471	A	78.2	Confident	78.8	Confident	61 Å²	61	91 Å²	91	50%	0.504	47%	0.468	S	S	.	.	H	α-helix	trans	-66	-27.9	174.4	0	0	0	0	0	112.8	V467 E468	V467-A471 WeakPolarHBondContact O-CB 3.37Å; V467-A471 PolarHBondContact O-N 3.45Å; E468-A471 WeakPolarHBondContact O-CB 3.14Å; E468-A471 PolarHBondContact O-N 3.24Å
472	N	76.8	Confident	78.9	Confident	131 Å²	131	90 Å²	90	70%	0.701	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-4.8	179.5	-69.5	-41.6	0	0	0	113.9	E468 Q469 L470	E468-N472 PolarHBondContact O-N 3.4Å; E468-N472 PolarHBondContact O-ND2 2.99Å; E468-N472 VanDerWaalsContact O-ND2 3.12Å; Q469-N472 PolarHBondContact O-N 3.12Å; L470-N472 PolarHBondContact O-N 2.81Å
473	A	69.1	Low	79	Confident	47 Å²	47	86 Å²	86	39%	0.388	45%	0.452	S	S	.	.	S	Bend	trans	-77.1	150	177.1	0	0	0	0	0	111	Q469 L470	Q469-A473 PolarHBondContact O-N 3.4Å; L470-A473 PolarHBondContact O-N 3.11Å
474	D	71.6	Confident	78.9	Confident	139 Å²	139	93.5 Å²	93.5	74%	0.743	49%	0.485	S	S	*	.			trans	-52.1	142.6	171.1	-72.9	-41.9	0	0	0	110.3	I476	D474-I476 VanDerWaalsContact C-N 3.26Å; D474-I476 WeakPolarHBondContact O-CG1 3.36Å; D474-I476 PolarHBondContact O-N 2.94Å
475	H	68.1	Low	78.8	Confident	183 Å²	183	93.2 Å²	93.2	85%	0.847	49%	0.485	S	S	*	.			trans	-59.7	82	-178.4	-77.7	-63	0	0	0	112.4
476	I	78.1	Confident	78.7	Confident	99 Å²	99	91.5 Å²	91.5	51%	0.508	48%	0.476	S	S	.	.			trans	-104	129.7	172.8	-59.4	164.7	0	0	0	106.6	D474 H478 A479 I480	D474-I476 VanDerWaalsContact C-N 3.26Å; D474-I476 WeakPolarHBondContact O-CG1 3.36Å; D474-I476 PolarHBondContact O-N 2.94Å; I476-H478 HydrophobicContact CG2-CB 4.26Å; I476-H478 PolarHBondContact O-N 2.99Å; I476-H478 VanDerWaalsContact O-N 3.07Å; I476-A479 HydrophobicContact CB-CB 4.41Å; I476-A479 WeakPolarHBondContact O-CA 3.29Å; I476-A479 WeakPolarHBondContact O-CB 3.07Å; I476-A479 PolarHBondContact O-N 3.05Å; I476-I480 PolarHBondContact O-N 3.11Å
477	D	77.8	Confident	78.6	Confident	133 Å²	133	92.7 Å²	92.7	71%	0.711	48%	0.477	S	S	*	.	H	α-helix	trans	-50.4	-38.9	-177.1	-68.2	-26.1	0	0	0	112.8	A479 I480 E481	D477-A479 PolarHBondContact O-N 3.07Å; D477-I480 PolarHBondContact O-N 3.02Å; D477-E481 PolarHBondContact O-N 2.91Å
478	H	80	Confident	78.6	Confident	140 Å²	140	93 Å²	93	65%	0.648	48%	0.48	S	S	*	.	H	α-helix	trans	-64.1	-33	175.9	-63.3	-54.3	0	0	0	114.2	I476 L482	I476-H478 HydrophobicContact CG2-CB 4.26Å; I476-H478 PolarHBondContact O-N 2.99Å; I476-H478 VanDerWaalsContact O-N 3.07Å; H478-L482 VanDerWaalsContact O-CB 3.28Å; H478-L482 WeakPolarHBondContact O-CB 3.31Å; H478-L482 PolarHBondContact O-N 3.48Å
479	A	75.8	Confident	77.9	Confident	16 Å²	16	91 Å²	91	13%	0.132	48%	0.478	C	S	.	.	H	α-helix	trans	-71.2	-37.3	177.5	0	0	0	0	0	111.2	L470 I476 D477 Q483	L470-A479 HydrophobicContact CD2-CB 4.18Å; I476-A479 HydrophobicContact CB-CB 4.41Å; I476-A479 WeakPolarHBondContact O-CA 3.29Å; I476-A479 WeakPolarHBondContact O-CB 3.07Å; I476-A479 PolarHBondContact O-N 3.05Å; D477-A479 PolarHBondContact O-N 3.07Å; A479-Q483 VanDerWaalsContact O-CB 3.29Å; A479-Q483 WeakPolarHBondContact O-CB 3.39Å; A479-Q483 PolarHBondContact O-N 3.12Å
480	I	77.2	Confident	77.5	Confident	84 Å²	84	90.2 Å²	90.2	43%	0.431	48%	0.479	S	S	.	.	H	α-helix	trans	-67.1	-45.5	175.6	-60.8	172.7	0	0	0	110.4	I476 D477 Q483 F484	I476-I480 PolarHBondContact O-N 3.11Å; D477-I480 PolarHBondContact O-N 3.02Å; I480-Q483 PolarHBondContact O-N 2.88Å; I480-F484 PolarHBondContact O-N 3.05Å
481	E	82.3	Confident	77.1	Confident	118 Å²	118	90.5 Å²	90.5	55%	0.551	48%	0.48	S	S	*	.	H	α-helix	trans	-60.1	-46.3	175.8	-176.4	177.5	-160	0	0	111.5	D477 Q483 F484 I485	D477-E481 PolarHBondContact O-N 2.91Å; E481-Q483 PolarHBondContact O-N 2.76Å; E481-F484 WeakPolarHBondContact O-CB 3.4Å; E481-F484 PolarHBondContact O-N 3.14Å; E481-I485 HydrophobicContact CG-CD1 4.25Å; E481-I485 WeakPolarHBondContact O-CG1 3.22Å; E481-I485 PolarHBondContact O-N 3.49Å
482	L	81.9	Confident	76.9	Confident	77 Å²	77	92 Å²	92	40%	0.403	48%	0.475	S	S	.	.	H	α-helix	trans	-64	-40.5	177.5	-173.5	60.9	0	0	0	111.9	L470 H478 F484 I485 L486	L470-L482 HydrophobicContact CD1-CB 4.21Å; L470-L482 HydrophobicContact CD1-CD2 3.74Å; L470-L482 HydrophobicContact CD1-CG 3.72Å; L470-L482 HydrophobicContact CD2-CD2 3.89Å; L470-L482 HydrophobicContact CG-CD2 4.45Å; H478-L482 VanDerWaalsContact O-CB 3.28Å; H478-L482 WeakPolarHBondContact O-CB 3.31Å; H478-L482 PolarHBondContact O-N 3.48Å; L482-F484 VanDerWaalsContact C-N 3.31Å; L482-F484 PolarHBondContact O-N 3.15Å; L482-I485 PolarHBondContact O-N 2.81Å; L482-L486 HydrophobicContact CD1-CD1 4.34Å; L482-L486 HydrophobicContact CD1-CG 4.22Å; L482-L486 HydrophobicContact CG-CD1 4.07Å; L482-L486 HydrophobicContact CG-CG 4.35Å; L482-L486 WeakPolarHBondContact O-CB 3.26Å; L482-L486 VanDerWaalsContact O-CG 3.31Å; L482-L486 WeakPolarHBondContact O-CG 3.43Å; L482-L486 PolarHBondContact O-N 3.05Å
483	Q	81.3	Confident	76.7	Confident	58 Å²	58	88.9 Å²	88.9	27%	0.271	46%	0.458	S	S	.	.	H	α-helix	trans	-61.9	-38.5	175.3	-170.2	-177.9	47.2	0	0	111.8	V467 L470 A479 I480 E481 N487	V467-Q483 HydrophobicContact CG1-CG 4.4Å; L470-Q483 HydrophobicContact CB-CB 4.5Å; A479-Q483 VanDerWaalsContact O-CB 3.29Å; A479-Q483 WeakPolarHBondContact O-CB 3.39Å; A479-Q483 PolarHBondContact O-N 3.12Å; I480-Q483 PolarHBondContact O-N 2.88Å; E481-Q483 PolarHBondContact O-N 2.76Å; Q483-N487 VanDerWaalsContact O-CB 3.27Å; Q483-N487 WeakPolarHBondContact O-CB 3.39Å; Q483-N487 PolarHBondContact O-N 2.84Å; Q483-N487 PolarHBondContact O-ND2 2.73Å
484	F	81.9	Confident	76.8	Confident	167 Å²	167	91.1 Å²	91.1	73%	0.732	46%	0.462	S	S	*	.	H	α-helix	trans	-65.2	-43.5	175.7	-175.5	-95	0	0	0	112	I480 E481 L482 N487 S488	I480-F484 PolarHBondContact O-N 3.05Å; E481-F484 WeakPolarHBondContact O-CB 3.4Å; E481-F484 PolarHBondContact O-N 3.14Å; L482-F484 VanDerWaalsContact C-N 3.31Å; L482-F484 PolarHBondContact O-N 3.15Å; F484-N487 PolarHBondContact O-N 2.89Å; F484-S488 PolarHBondContact O-N 3.02Å
485	I	82.1	Confident	77.1	Confident	79 Å²	79	87.1 Å²	87.1	41%	0.405	44%	0.438	S	S	.	.	H	α-helix	trans	-64	-50.1	177.2	-65.8	166.5	0	0	0	110.8	E481 L482 N487 S488 I491	E481-I485 HydrophobicContact CG-CD1 4.25Å; E481-I485 WeakPolarHBondContact O-CG1 3.22Å; E481-I485 PolarHBondContact O-N 3.49Å; L482-I485 PolarHBondContact O-N 2.81Å; I485-N487 PolarHBondContact O-N 2.82Å; I485-S488 VanDerWaalsContact O-CB 3.24Å; I485-S488 WeakPolarHBondContact O-CB 3.47Å; I485-S488 PolarHBondContact O-N 3.46Å; I485-S488 PolarHBondContact O-OG 3.26Å; I485-I491 HydrophobicContact CG2-CG1 4.41Å; I485-I491 WeakPolarHBondContact O-CG1 3.42Å
486	L	80.5	Confident	77.3	Confident	30 Å²	30	81.4 Å²	81.4	16%	0.157	41%	0.412	C	S	.	.	H	α-helix	trans	-65.9	-27.6	-178.5	-67.7	-179	0	0	0	112.7	L463 A466 V467 L470 L482 S488 I491	L463-L486 HydrophobicContact CD1-CB 3.85Å; L463-L486 HydrophobicContact CD1-CD1 4.47Å; L463-L486 HydrophobicContact CD1-CD2 3.71Å; L463-L486 HydrophobicContact CD1-CG 4.2Å; A466-L486 HydrophobicContact CB-CD1 4.36Å; V467-L486 HydrophobicContact CG2-CB 3.76Å; V467-L486 HydrophobicContact CG2-CD1 4.34Å; L470-L486 HydrophobicContact CD1-CD1 3.61Å; L482-L486 HydrophobicContact CD1-CD1 4.34Å; L482-L486 HydrophobicContact CD1-CG 4.22Å; L482-L486 HydrophobicContact CG-CD1 4.07Å; L482-L486 HydrophobicContact CG-CG 4.35Å; L482-L486 WeakPolarHBondContact O-CB 3.26Å; L482-L486 VanDerWaalsContact O-CG 3.31Å; L482-L486 WeakPolarHBondContact O-CG 3.43Å; L482-L486 PolarHBondContact O-N 3.05Å; L486-S488 VanDerWaalsContact C-N 3.33Å; L486-I491 HydrophobicContact CD2-CG2 4.35Å
487	N	79.5	Confident	76.7	Confident	59 Å²	59	77.5 Å²	77.5	32%	0.316	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-7	173.8	-87.9	-49.3	0	0	0	114.8	Q483 F484 I485 K492	Q483-N487 VanDerWaalsContact O-CB 3.27Å; Q483-N487 WeakPolarHBondContact O-CB 3.39Å; Q483-N487 PolarHBondContact O-N 2.84Å; Q483-N487 PolarHBondContact O-ND2 2.73Å; F484-N487 PolarHBondContact O-N 2.89Å; I485-N487 PolarHBondContact O-N 2.82Å; N487-K492 WeakPolarHBondContact OD1-CE 3.37Å; N487-K492 PolarHBondContact OD1-NZ 3.06Å
488	S	82.4	Confident	76.4	Confident	29 Å²	29	74.7 Å²	74.7	20%	0.203	38%	0.377	C	S	.	.	S	Bend	trans	-61.8	144.2	179.7	70.1	0	0	0	0	111.6	F484 I485 L486 D490 I491 K492	F484-S488 PolarHBondContact O-N 3.02Å; I485-S488 VanDerWaalsContact O-CB 3.24Å; I485-S488 WeakPolarHBondContact O-CB 3.47Å; I485-S488 PolarHBondContact O-N 3.46Å; I485-S488 PolarHBondContact O-OG 3.26Å; L486-S488 VanDerWaalsContact C-N 3.33Å; S488-D490 PolarHBondContact O-N 2.78Å; S488-I491 PolarHBondContact O-N 3.45Å; S488-I491 VanDerWaalsContact OG-CG1 3.24Å; S488-I491 WeakPolarHBondContact OG-CG1 3.23Å; S488-I491 PolarHBondContact OG-N 2.9Å; S488-K492 PolarHBondContact O-N 2.93Å; S488-K492 VanDerWaalsContact O-N 3.1Å
489	P	70.2	Confident	75.9	Confident	79 Å²	79	69 Å²	69	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-56.1	-39.2	178.8	-24.7	33.4	0	0	0	112.7	I491 K492 I493	P489-I491 PolarHBondContact O-N 3.4Å; P489-K492 PolarHBondContact O-N 3.01Å; P489-I493 WeakPolarHBondContact O-CB 3.32Å; P489-I493 WeakPolarHBondContact O-CD1 3.46Å; P489-I493 VanDerWaalsContact O-CG1 3.23Å; P489-I493 WeakPolarHBondContact O-CG1 3.17Å; P489-I493 PolarHBondContact O-N 3.29Å
490	D	70.8	Confident	75.4	Confident	130 Å²	130	69 Å²	69	70%	0.695	35%	0.349	S	S	*	.	H	α-helix	trans	-61.6	-43.8	-178.9	-62.9	-46	0	0	0	111.9	S488 L494	S488-D490 PolarHBondContact O-N 2.78Å; D490-L494 WeakPolarHBondContact O-CB 3.36Å; D490-L494 PolarHBondContact O-N 2.79Å
491	I	73.5	Confident	74.7	Confident	41 Å²	41	67.5 Å²	67.5	21%	0.21	34%	0.342	C	S	.	.	H	α-helix	trans	-68.4	-43.8	177.1	-66.1	-64.7	0	0	0	110.7	L463 I485 L486 S488 P489 I493 L494 F495	L463-I491 HydrophobicContact CD1-CG2 4.04Å; L463-I491 HydrophobicContact CD2-CG2 4.23Å; I485-I491 HydrophobicContact CG2-CG1 4.41Å; I485-I491 WeakPolarHBondContact O-CG1 3.42Å; L486-I491 HydrophobicContact CD2-CG2 4.35Å; S488-I491 PolarHBondContact O-N 3.45Å; S488-I491 VanDerWaalsContact OG-CG1 3.24Å; S488-I491 WeakPolarHBondContact OG-CG1 3.23Å; S488-I491 PolarHBondContact OG-N 2.9Å; P489-I491 PolarHBondContact O-N 3.4Å; I491-I493 VanDerWaalsContact C-N 3.32Å; I491-I493 PolarHBondContact O-N 2.93Å; I491-L494 WeakPolarHBondContact O-CB 3.21Å; I491-L494 PolarHBondContact O-N 3.11Å; I491-F495 HydrophobicContact CG2-CD2 3.8Å; I491-F495 HydrophobicContact CG2-CE2 3.78Å; I491-F495 VanDerWaalsContact O-CD2 3.28Å; I491-F495 WeakPolarHBondContact O-CD2 3.45Å; I491-F495 PolarHBondContact O-N 3.45Å
492	K	75.1	Confident	73.8	Confident	94 Å²	94	62 Å²	62	41%	0.409	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-41.7	176.7	-71.8	-178.5	176.6	171.2	0	112.1	L463 N487 S488 P489 H496	L463-K492 HydrophobicContact CD2-CG 4.04Å; N487-K492 WeakPolarHBondContact OD1-CE 3.37Å; N487-K492 PolarHBondContact OD1-NZ 3.06Å; S488-K492 PolarHBondContact O-N 2.93Å; S488-K492 VanDerWaalsContact O-N 3.1Å; P489-K492 PolarHBondContact O-N 3.01Å; K492-H496 VanDerWaalsContact O-CB 3.31Å; K492-H496 WeakPolarHBondContact O-CB 3.44Å; K492-H496 PolarHBondContact O-N 2.92Å
493	I	70.6	Confident	72.8	Confident	65 Å²	65	60.2 Å²	60.2	33%	0.333	31%	0.313	S	S	.	.	H	α-helix	trans	-65.6	-40.7	176.2	-69.9	165.5	0	0	0	111.2	P489 I491 H496 T497	P489-I493 WeakPolarHBondContact O-CB 3.32Å; P489-I493 WeakPolarHBondContact O-CD1 3.46Å; P489-I493 VanDerWaalsContact O-CG1 3.23Å; P489-I493 WeakPolarHBondContact O-CG1 3.17Å; P489-I493 PolarHBondContact O-N 3.29Å; I491-I493 VanDerWaalsContact C-N 3.32Å; I491-I493 PolarHBondContact O-N 2.93Å; I493-H496 PolarHBondContact O-N 2.86Å; I493-T497 WeakPolarHBondContact O-CB 2.93Å; I493-T497 PolarHBondContact O-N 3.44Å; I493-T497 PolarHBondContact O-OG1 3Å
494	L	72.7	Confident	71.8	Confident	93 Å²	93	58.6 Å²	58.6	49%	0.487	31%	0.306	S	S	.	.	H	α-helix	trans	-60.8	-50.8	177.5	180	66	0	0	0	111.4	D490 I491 H496 T497 I498	D490-L494 WeakPolarHBondContact O-CB 3.36Å; D490-L494 PolarHBondContact O-N 2.79Å; I491-L494 WeakPolarHBondContact O-CB 3.21Å; I491-L494 PolarHBondContact O-N 3.11Å; L494-H496 VanDerWaalsContact C-N 3.35Å; L494-H496 PolarHBondContact O-N 3.36Å; L494-T497 WeakPolarHBondContact O-CB 3.29Å; L494-T497 PolarHBondContact O-N 3.12Å; L494-T497 VanDerWaalsContact O-N 3.13Å; L494-I498 HydrophobicContact CG-CD1 4.39Å; L494-I498 WeakPolarHBondContact O-CG1 3.19Å; L494-I498 PolarHBondContact O-N 3.14Å
495	F	77	Confident	70.5	Confident	55 Å²	55	51 Å²	51	24%	0.241	27%	0.273	C	S	.	.	H	α-helix	trans	-64.7	-38.7	178.9	-82.4	-107.1	0	0	0	112	A459 L463 I491 T497 I498 D499	A459-F495 HydrophobicContact CB-CB 4.46Å; A459-F495 HydrophobicContact CB-CD1 3.75Å; A459-F495 WeakPolarHBondContact O-CD1 3.13Å; L463-F495 HydrophobicContact CB-CD1 3.88Å; L463-F495 HydrophobicContact CB-CE1 4.15Å; L463-F495 HydrophobicContact CB-CG 4.25Å; L463-F495 HydrophobicContact CD1-CE2 4.42Å; L463-F495 HydrophobicContact CD1-CZ 4.41Å; L463-F495 HydrophobicContact CD2-CB 4.1Å; L463-F495 HydrophobicContact CD2-CD2 4.25Å; L463-F495 HydrophobicContact CD2-CG 4.04Å; I491-F495 HydrophobicContact CG2-CD2 3.8Å; I491-F495 HydrophobicContact CG2-CE2 3.78Å; I491-F495 VanDerWaalsContact O-CD2 3.28Å; I491-F495 WeakPolarHBondContact O-CD2 3.45Å; I491-F495 PolarHBondContact O-N 3.45Å; F495-T497 VanDerWaalsContact C-N 3.33Å; F495-T497 PolarHBondContact O-N 3.21Å; F495-I498 WeakPolarHBondContact O-CB 3.39Å; F495-I498 PolarHBondContact O-N 3.42Å; F495-D499 PolarHBondContact O-N 2.72Å
496	H	72.5	Confident	69.3	Low	64 Å²	64	51.2 Å²	51.2	30%	0.296	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-40.4	171.4	-177.7	59.5	0	0	0	112.5	K492 I493 L494 I498 D499 V500	K492-H496 VanDerWaalsContact O-CB 3.31Å; K492-H496 WeakPolarHBondContact O-CB 3.44Å; K492-H496 PolarHBondContact O-N 2.92Å; I493-H496 PolarHBondContact O-N 2.86Å; L494-H496 VanDerWaalsContact C-N 3.35Å; L494-H496 PolarHBondContact O-N 3.36Å; H496-I498 VanDerWaalsContact C-N 3.33Å; H496-I498 PolarHBondContact O-N 3.02Å; H496-D499 PolarHBondContact O-N 2.82Å; H496-V500 WeakPolarHBondContact O-CG2 3.38Å; H496-V500 PolarHBondContact O-N 3.28Å
497	T	66.2	Low	67.9	Low	17 Å²	17	50.8 Å²	50.8	10%	0.104	27%	0.271	C	S	.	.	H	α-helix	trans	-63.5	-39.8	176.4	-60.1	0	0	0	0	111.2	W371 L402 I493 L494 F495 V500 I501	W371-T497 HydrophobicContact CZ2-CG2 4.31Å; L402-T497 HydrophobicContact CD1-CG2 4.48Å; I493-T497 WeakPolarHBondContact O-CB 2.93Å; I493-T497 PolarHBondContact O-N 3.44Å; I493-T497 PolarHBondContact O-OG1 3Å; L494-T497 WeakPolarHBondContact O-CB 3.29Å; L494-T497 PolarHBondContact O-N 3.12Å; L494-T497 VanDerWaalsContact O-N 3.13Å; F495-T497 VanDerWaalsContact C-N 3.33Å; F495-T497 PolarHBondContact O-N 3.21Å; T497-V500 PolarHBondContact O-N 3.39Å; T497-I501 HydrophobicContact CG2-CD1 3.77Å; T497-I501 HydrophobicContact CG2-CG1 4.39Å; T497-I501 WeakPolarHBondContact O-CB 3.32Å; T497-I501 VanDerWaalsContact O-CG1 3.23Å; T497-I501 WeakPolarHBondContact O-CG1 3.3Å; T497-I501 PolarHBondContact O-N 3.35Å
498	I	70.6	Confident	66.3	Low	73 Å²	73	53.9 Å²	53.9	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-60.8	-48	174.7	-67.8	166.6	0	0	0	110.5	A459 L494 F495 H496 V500 I501 A502	A459-I498 HydrophobicContact CB-CB 4.24Å; A459-I498 HydrophobicContact CB-CG2 3.88Å; L494-I498 HydrophobicContact CG-CD1 4.39Å; L494-I498 WeakPolarHBondContact O-CG1 3.19Å; L494-I498 PolarHBondContact O-N 3.14Å; F495-I498 WeakPolarHBondContact O-CB 3.39Å; F495-I498 PolarHBondContact O-N 3.42Å; H496-I498 VanDerWaalsContact C-N 3.33Å; H496-I498 PolarHBondContact O-N 3.02Å; I498-V500 PolarHBondContact O-N 3.01Å; I498-I501 PolarHBondContact O-N 3.13Å; I498-A502 VanDerWaalsContact O-CB 3.31Å; I498-A502 WeakPolarHBondContact O-CB 3.37Å; I498-A502 PolarHBondContact O-N 2.83Å
499	D	70	Confident	64.3	Low	20 Å²	20	56.3 Å²	56.3	11%	0.107	29%	0.293	C	S	.	.	H	α-helix	trans	-63	-40.9	178.6	-73	-22.1	0	0	0	112.3	W457 D458 A459 R460 F495 H496 A502 A503	W457-D499 WeakPolarHBondContact CA-OD1 3.38Å; D458-D499 PolarHBondContact N-OD1 2.69Å; A459-D499 WeakPolarHBondContact CA-OD1 3.24Å; A459-D499 WeakPolarHBondContact CB-OD1 3.38Å; A459-D499 PolarHBondContact N-OD1 3.37Å; R460-D499 WeakPolarHBondContact CB-OD2 3.22Å; R460-D499 PolarHBondContact N-OD2 2.81Å; F495-D499 PolarHBondContact O-N 2.72Å; H496-D499 PolarHBondContact O-N 2.82Å; D499-A502 PolarHBondContact O-N 3.39Å; D499-A503 VanDerWaalsContact O-CB 3.24Å; D499-A503 WeakPolarHBondContact O-CB 3.32Å; D499-A503 PolarHBondContact O-N 3.36Å
500	V	65.1	Low	62.9	Low	16 Å²	16	55.2 Å²	55.2	10%	0.097	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-41.7	175.7	173.6	0	0	0	0	111.1	H496 T497 I498 E504	H496-V500 WeakPolarHBondContact O-CG2 3.38Å; H496-V500 PolarHBondContact O-N 3.28Å; T497-V500 PolarHBondContact O-N 3.39Å; I498-V500 PolarHBondContact O-N 3.01Å; V500-E504 HydrophobicContact CG1-CG 4.16Å; V500-E504 VanDerWaalsContact O-CB 3.24Å; V500-E504 WeakPolarHBondContact O-CB 3.45Å; V500-E504 PolarHBondContact O-N 3.33Å
501	I	62	Low	61.4	Low	53 Å²	53	54.1 Å²	54.1	27%	0.272	28%	0.28	S	S	.	.	H	α-helix	trans	-64.5	-46.5	176	-73.9	170.1	0	0	0	110.4	T497 I498 A503 I505 F506	T497-I501 HydrophobicContact CG2-CD1 3.77Å; T497-I501 HydrophobicContact CG2-CG1 4.39Å; T497-I501 WeakPolarHBondContact O-CB 3.32Å; T497-I501 VanDerWaalsContact O-CG1 3.23Å; T497-I501 WeakPolarHBondContact O-CG1 3.3Å; T497-I501 PolarHBondContact O-N 3.35Å; I498-I501 PolarHBondContact O-N 3.13Å; I501-A503 PolarHBondContact O-N 2.88Å; I501-I505 HydrophobicContact CB-CD1 4.42Å; I501-I505 HydrophobicContact CG1-CD1 4.14Å; I501-I505 HydrophobicContact CG2-CB 4.45Å; I501-I505 HydrophobicContact CG2-CD1 4.11Å; I501-I505 HydrophobicContact CG2-CG1 4.5Å; I501-I505 WeakPolarHBondContact O-CA 3.25Å; I501-I505 WeakPolarHBondContact O-CB 3.44Å; I501-I505 PolarHBondContact O-N 3.36Å; I501-F506 HydrophobicContact CG2-CD2 4.04Å; I501-F506 HydrophobicContact CG2-CE2 3.72Å; I501-F506 PolarHBondContact O-N 2.84Å
502	A	63.2	Low	59.8	Low	2 Å²	2	56.1 Å²	56.1	2%	0.017	30%	0.302	C	S	.	.	I	π-helix	trans	-57.6	-49.2	176.8	0	0	0	0	0	111.7	P455 W457 I498 D499 F506 A507	P455-A502 HydrophobicContact CB-CB 4.33Å; P455-A502 HydrophobicContact CG-CB 3.85Å; W457-A502 HydrophobicContact CB-CB 4.29Å; I498-A502 VanDerWaalsContact O-CB 3.31Å; I498-A502 WeakPolarHBondContact O-CB 3.37Å; I498-A502 PolarHBondContact O-N 2.83Å; D499-A502 PolarHBondContact O-N 3.39Å; A502-F506 WeakPolarHBondContact O-CB 3.42Å; A502-F506 PolarHBondContact O-N 3.05Å; A502-A507 PolarHBondContact O-N 3.29Å
503	A	61.8	Low	57.7	Low	41 Å²	41	57.9 Å²	57.9	34%	0.339	32%	0.316	S	S	.	.	I	π-helix	trans	-73.4	-44.9	-178.4	0	0	0	0	0	113.2	D499 I501 A507	D499-A503 VanDerWaalsContact O-CB 3.24Å; D499-A503 WeakPolarHBondContact O-CB 3.32Å; D499-A503 PolarHBondContact O-N 3.36Å; I501-A503 PolarHBondContact O-N 2.88Å; A503-A507 WeakPolarHBondContact O-CB 3.43Å
504	E	59.3	Low	55.8	Low	24 Å²	24	57.8 Å²	57.8	11%	0.112	33%	0.331	C	S	.	.	I	π-helix	trans	-89.5	-32.2	-172.4	-66.2	-157.6	164.2	0	0	114	S365 S368 V500 K508	S365-E504 VanDerWaalsContact CA-OE2 3.28Å; S365-E504 WeakPolarHBondContact CA-OE2 3.27Å; S365-E504 VanDerWaalsContact CB-OE2 3.22Å; S365-E504 WeakPolarHBondContact CB-OE2 3.37Å; S365-E504 PolarHBondContact OG-OE2 3.21Å; S368-E504 PolarHBondContact OG-OE1 3.24Å; S368-E504 VanDerWaalsContact OG-OE1 3.1Å; V500-E504 HydrophobicContact CG1-CG 4.16Å; V500-E504 VanDerWaalsContact O-CB 3.24Å; V500-E504 WeakPolarHBondContact O-CB 3.45Å; V500-E504 PolarHBondContact O-N 3.33Å; E504-K508 WeakPolarHBondContact O-CD 3.4Å; E504-K508 WeakPolarHBondContact O-CG 3.2Å
505	I	55.3	Low	53.7	Low	7 Å²	7	58.8 Å²	58.8	4%	0.036	34%	0.344	C	S	.	.	I	π-helix	trans	-94.3	-49.1	-176.3	-55.3	-172.6	0	0	0	110.3	R361 I362 I501 L509	R361-I505 HydrophobicContact CB-CD1 4.46Å; R361-I505 HydrophobicContact CB-CG1 4.49Å; R361-I505 PolarHBondContact NH1-O 2.85Å; I362-I505 HydrophobicContact CG1-CD1 3.98Å; I501-I505 HydrophobicContact CB-CD1 4.42Å; I501-I505 HydrophobicContact CG1-CD1 4.14Å; I501-I505 HydrophobicContact CG2-CB 4.45Å; I501-I505 HydrophobicContact CG2-CD1 4.11Å; I501-I505 HydrophobicContact CG2-CG1 4.5Å; I501-I505 WeakPolarHBondContact O-CA 3.25Å; I501-I505 WeakPolarHBondContact O-CB 3.44Å; I501-I505 PolarHBondContact O-N 3.36Å; I505-L509 VanDerWaalsContact O-CD1 3.25Å; I505-L509 WeakPolarHBondContact O-CD1 3.45Å; I505-L509 WeakPolarHBondContact O-CG 3.35Å
506	F	56.2	Low	51.4	Low	83 Å²	83	59.9 Å²	59.9	36%	0.364	36%	0.356	S	S	.	.	I	π-helix	trans	-88.7	-40.9	-174.1	-65.8	-80.8	0	0	0	113.5	P455 I501 A502 K508 L509 I510	P455-F506 HydrophobicContact CG-CB 4.34Å; P455-F506 HydrophobicContact CG-CD2 3.85Å; P455-F506 HydrophobicContact CG-CE2 4.37Å; P455-F506 HydrophobicContact CG-CG 4.12Å; I501-F506 HydrophobicContact CG2-CD2 4.04Å; I501-F506 HydrophobicContact CG2-CE2 3.72Å; I501-F506 PolarHBondContact O-N 2.84Å; A502-F506 WeakPolarHBondContact O-CB 3.42Å; A502-F506 PolarHBondContact O-N 3.05Å; F506-K508 VanDerWaalsContact C-N 3.25Å; F506-K508 PolarHBondContact O-N 3.4Å; F506-L509 HydrophobicContact CD1-CD1 4.42Å; F506-L509 WeakPolarHBondContact O-CB 3.14Å; F506-L509 PolarHBondContact O-N 3.19Å; F506-I510 WeakPolarHBondContact O-CG1 3.32Å; F506-I510 PolarHBondContact O-N 3.01Å
507	A	52.4	Low	49.4	Very low	21 Å²	21	62.4 Å²	62.4	17%	0.174	37%	0.368	C	S	.	.	H	α-helix	trans	-65	-29	177.9	0	0	0	0	0	113.2	W457 A502 A503 I510 T511	W457-A507 HydrophobicContact CE3-CB 4.45Å; W457-A507 HydrophobicContact CZ3-CB 3.97Å; A502-A507 PolarHBondContact O-N 3.29Å; A503-A507 WeakPolarHBondContact O-CB 3.43Å; A507-I510 PolarHBondContact O-N 3.35Å; A507-T511 WeakPolarHBondContact O-CG2 3.08Å; A507-T511 PolarHBondContact O-N 3.43Å; A507-T511 PolarHBondContact O-OG1 2.96Å
508	K	45.5	Very low	47.5	Very low	124 Å²	124	69 Å²	69	54%	0.539	40%	0.402	S	S	.	.	H	α-helix	trans	-74.3	-22.5	172.2	-68.9	-172.6	-172.3	164.2	0	113.9	E504 F506 T511 A512	E504-K508 WeakPolarHBondContact O-CD 3.4Å; E504-K508 WeakPolarHBondContact O-CG 3.2Å; F506-K508 VanDerWaalsContact C-N 3.25Å; F506-K508 PolarHBondContact O-N 3.4Å; K508-T511 WeakPolarHBondContact CA-OG1 3.39Å; K508-A512 VanDerWaalsContact O-CB 3.3Å; K508-A512 WeakPolarHBondContact O-CB 3.5Å; K508-A512 PolarHBondContact O-N 3Å
509	L	40.5	Very low	45.5	Very low	81 Å²	81	71.1 Å²	71.1	42%	0.424	41%	0.414	S	S	.	.	H	α-helix	trans	-75.8	-30.5	171.4	-77.5	157.7	0	0	0	111.4	R361 I505 F506	R361-L509 VanDerWaalsContact NH1-CG 3.32Å; I505-L509 VanDerWaalsContact O-CD1 3.25Å; I505-L509 WeakPolarHBondContact O-CD1 3.45Å; I505-L509 WeakPolarHBondContact O-CG 3.35Å; F506-L509 HydrophobicContact CD1-CD1 4.42Å; F506-L509 WeakPolarHBondContact O-CB 3.14Å; F506-L509 PolarHBondContact O-N 3.19Å
510	I	41.5	Very low	43.4	Very low	55 Å²	55	74.8 Å²	74.8	28%	0.282	44%	0.441	S	S	.	.	H	α-helix	trans	-77.7	-22.1	179.3	-63.4	165.2	0	0	0	112.7	F506 A507 P516	F506-I510 WeakPolarHBondContact O-CG1 3.32Å; F506-I510 PolarHBondContact O-N 3.01Å; A507-I510 PolarHBondContact O-N 3.35Å; I510-P516 HydrophobicContact CG2-CG 3.58Å
511	T	38.8	Very low	41.6	Very low	107 Å²	107	82.8 Å²	82.8	66%	0.656	48%	0.481	S	S	*	.	H	α-helix	trans	-103.8	-13.1	-176.5	45.7	0	0	0	0	114.1	A507 K508 D513	A507-T511 WeakPolarHBondContact O-CG2 3.08Å; A507-T511 PolarHBondContact O-N 3.43Å; A507-T511 PolarHBondContact O-OG1 2.96Å; K508-T511 WeakPolarHBondContact CA-OG1 3.39Å; T511-D513 CarbonylContact C-O 3.6Å
512	A	39.6	Very low	39.9	Very low	83 Å²	83	83.4 Å²	83.4	69%	0.686	50%	0.501	S	S	*	.	H	α-helix	trans	-89.1	-28.6	-179.1	0	0	0	0	0	113.4	K508	K508-A512 VanDerWaalsContact O-CB 3.3Å; K508-A512 WeakPolarHBondContact O-CB 3.5Å; K508-A512 PolarHBondContact O-N 3Å
513	D	31.7	Very low	38.3	Very low	131 Å²	131	93 Å²	93	70%	0.701	55%	0.546	S	S	*	.	S	Bend	trans	-91.7	138.6	156.1	-69.6	-41.9	0	0	0	106.5	T511	T511-D513 CarbonylContact C-O 3.6Å
514	G	30.1	Very low	36.6	Very low	63 Å²	63	96.2 Å²	96.2	65%	0.649	57%	0.572	S	S	*	*	S	Bend	trans	-46.7	159.4	-176.9	0	0	0	0	0	113.8
515	P	27.7	Very low	35.1	Very low	115 Å²	115	98.6 Å²	98.6	75%	0.747	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-47.5	128.9	-167	22.4	-33.2	0	0	0	110.5	Q517	P515-Q517 PolarHBondContact O-N 2.96Å
516	P	29.7	Very low	33.7	Very low	77 Å²	77	106.9 Å²	106.9	50%	0.5	64%	0.637	S	S	.	*	P	Polyproline II helix	trans	-59.5	121.5	176	-9	19.8	0	0	0	107.1	I510 L518	I510-P516 HydrophobicContact CG2-CG 3.58Å; P516-L518 VanDerWaalsContact C-N 3.3Å; P516-L518 PolarHBondContact O-N 3.39Å
517	Q	29.7	Very low	32.4	Very low	118 Å²	118	110.3 Å²	110.3	55%	0.551	66%	0.659	S	S	*	*			trans	-58.1	98.4	168.7	-77.8	170.5	-14.8	0	0	108.4	P515 N519 Y951	P515-Q517 PolarHBondContact O-N 2.96Å; Q517-N519 PolarHBondContact O-N 3.12Å; Q517-N519 VanDerWaalsContact O-N 3.07Å; Q517-Y951 PolarHBondContact NE2-O 3.31Å; Q517-Y951 PolarHBondContact NE2-OXT 2.81Å; Q517-Y951 PolarHBondContact OE1-O 2.96Å
518	L	27.2	Very low	31.2	Very low	156 Å²	156	119 Å²	119	82%	0.817	70%	0.696	S	S	*	*			trans	-84.7	71	177.3	-138.9	140.7	0	0	0	107.5	P516	P516-L518 VanDerWaalsContact C-N 3.3Å; P516-L518 PolarHBondContact O-N 3.39Å
519	N	28.3	Very low	30.4	Very low	117 Å²	117	116.9 Å²	116.9	63%	0.626	71%	0.708	S	S	*	*			trans	-104.1	101.4	166.7	-80.9	-24.2	0	0	0	109.3	Q517	Q517-N519 PolarHBondContact O-N 3.12Å; Q517-N519 VanDerWaalsContact O-N 3.07Å
520	S	26.6	Very low	29.8	Very low	96 Å²	96	116.7 Å²	116.7	67%	0.671	73%	0.726	S	S	*	*	S	Bend	trans	53.1	88.8	139.1	53.6	0	0	0	0	118.3
521	I	25.9	Very low	29.1	Very low	184 Å²	184	119.7 Å²	119.7	94%	0.944	75%	0.752	S	S	*	*	S	Bend	trans	-160.9	99.4	133.5	-74.2	121.1	0	0	0	105.5
522	G	27.3	Very low	28.6	Very low	67 Å²	67	119.6 Å²	119.6	69%	0.691	76%	0.762	S	S	*	*			trans	179.6	-12.9	-177.2	0	0	0	0	0	115.4
523	Q	29.9	Very low	28.1	Very low	203 Å²	203	122 Å²	122	95%	0.949	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	32.8	175.8	-74.2	-177.6	-11.6	0	0	113.8
524	A	26.6	Very low	27.9	Very low	109 Å²	109	123.1 Å²	123.1	90%	0.901	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	9.1	174.3	0	0	0	0	0	113.8
525	A	26.6	Very low	27.9	Very low	74 Å²	74	127.6 Å²	127.6	61%	0.612	78%	0.783	S	S	*	*	S	Bend	trans	-129.9	132.8	169.1	0	0	0	0	0	106.9
526	M	26.2	Very low	27.8	Very low	180 Å²	180	130 Å²	130	89%	0.887	79%	0.788	S	S	*	*	S	Bend	trans	89.5	106.7	-169.3	-44.4	-79.2	-174.9	0	0	112.9
527	N	28.6	Very low	27.6	Very low	156 Å²	156	133.2 Å²	133.2	83%	0.834	81%	0.807	S	S	*	*			trans	92.8	61.8	168	-54	-15.4	0	0	0	118.5
528	H	27.5	Very low	27.5	Very low	204 Å²	204	133.6 Å²	133.6	94%	0.944	82%	0.822	S	S	*	*			trans	-120.4	88.8	144.8	-86.6	-61	0	0	0	110
529	G	27.8	Very low	27.4	Very low	78 Å²	78	130.9 Å²	130.9	80%	0.804	82%	0.816	S	S	*	*			trans	-99.7	129.4	152.4	0	0	0	0	0	108.5
530	G	28.2	Very low	27.2	Very low	77 Å²	77	131.1 Å²	131.1	79%	0.794	83%	0.827	S	S	*	*	S	Bend	trans	104	89.1	154.2	0	0	0	0	0	117.9
531	S	27.1	Very low	27.1	Very low	118 Å²	118	130.7 Å²	130.7	83%	0.825	82%	0.824	S	S	*	*				68.3	94.4	127.9	-168.5	0	0	0	0	119.9
532	A	28.5	Very low	27.2	Very low	106 Å²	106	129.5 Å²	129.5	88%	0.876	82%	0.819	S	S	*	*				-159.4	76	129.4	0	0	0	0	0	108.2
533	V	28.3	Very low	27.3	Very low	133 Å²	133	134 Å²	134	81%	0.806	83%	0.827	S	S	*	*			trans	-93.8	100.6	169	-87.7	0	0	0	0	107.5
534	D	27.9	Very low	27.2	Very low	154 Å²	154	129.5 Å²	129.5	82%	0.824	82%	0.817	S	S	*	*			trans	-164.6	84	159	-95.5	-22.7	0	0	0	105.7
535	D	29.6	Very low	27.1	Very low	158 Å²	158	132.7 Å²	132.7	85%	0.845	82%	0.818	S	S	*	*	S	Bend	trans	174.7	130.4	141.5	-94.9	-24.4	0	0	0	110.6
536	L	27	Very low	27.2	Very low	164 Å²	164	134.2 Å²	134.2	86%	0.859	83%	0.825	S	S	*	*			trans	84.7	73	164.8	-51.8	168.3	0	0	0	116.9	C538	L536-C538 PolarHBondContact O-N 3.35Å
537	T	24.7	Very low	27.4	Very low	145 Å²	145	131 Å²	131	89%	0.89	82%	0.817	S	S	*	*			trans	-56.8	114.6	145.6	45.5	0	0	0	0	110.4
538	C	26.9	Very low	27.7	Very low	127 Å²	127	131.7 Å²	131.7	86%	0.858	82%	0.819	S	S	*	*			trans	-141.5	135.3	154.6	-130.5	0	0	0	0	110.1	L536	L536-C538 PolarHBondContact O-N 3.35Å
539	S	26.1	Very low	28.7	Very low	99 Å²	99	125.8 Å²	125.8	69%	0.692	80%	0.798	S	S	*	*			trans	-63	142.4	-159	45.7	0	0	0	0	115.6	S541	S539-S541 PolarHBondContact O-N 2.79Å
540	S	23.4	Very low	30.1	Very low	122 Å²	122	132.9 Å²	132.9	85%	0.853	80%	0.8	S	S	*	*	S	Bend	trans	-65.8	87	169.8	54.7	0	0	0	0	112.4
541	S	25.7	Very low	32.1	Very low	87 Å²	87	134 Å²	134	61%	0.608	79%	0.791	S	S	*	*			trans	176.9	83.7	156.8	49.9	0	0	0	0	108.7	S539	S539-S541 PolarHBondContact O-N 2.79Å
542	D	27.3	Very low	34.3	Very low	159 Å²	159	137.8 Å²	137.8	85%	0.85	79%	0.788	S	S	*	*			trans	171.7	153.4	149.5	-89.5	-26	0	0	0	110
543	L	28.6	Very low	36.5	Very low	162 Å²	162	140.5 Å²	140.5	85%	0.848	79%	0.786	S	S	*	*			trans	98.8	73.1	167.1	-50.7	170.1	0	0	0	117
544	S	27.8	Very low	38.5	Very low	108 Å²	108	136.7 Å²	136.7	76%	0.755	76%	0.761	S	S	*	*			trans	-8.1	136.6	139.3	55.6	0	0	0	0	118.3
545	L	25.3	Very low	40.5	Very low	175 Å²	175	136.6 Å²	136.6	92%	0.916	76%	0.755	S	S	*	*			trans	-41.1	134.8	170.6	-76	87.8	0	0	0	114.3
546	S	27.9	Very low	42.1	Very low	107 Å²	107	131.8 Å²	131.8	75%	0.748	73%	0.727	S	S	*	*			trans	-116.6	131.7	152	58.5	0	0	0	0	109.6
547	P	31.8	Very low	43.7	Very low	113 Å²	113	130 Å²	130	73%	0.734	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-72.7	130.3	-175.7	27.2	-32	0	0	0	111.4	T549	P547-T549 PolarHBondContact O-N 3.33Å
548	I	34.7	Very low	45.3	Very low	169 Å²	169	126.6 Å²	126.6	87%	0.867	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-61.6	116.1	171.4	-62.6	169.4	0	0	0	108.5
549	T	49	Very low	46.6	Very low	81 Å²	81	125 Å²	125	50%	0.497	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-95.2	119	177.2	47.9	0	0	0	0	110.5	P547 R600	P547-T549 PolarHBondContact O-N 3.33Å; T549-R600 PolarHBondContact OG1-NH1 3.18Å; T549-R600 PolarHBondContact OG1-NH2 2.96Å
550	R	56.3	Low	47.9	Very low	227 Å²	227	124.1 Å²	124.1	86%	0.857	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-73.8	127.4	174.4	-74	-178.8	175.5	170.6	-1.1	110.2
551	V	70.5	Confident	49.6	Very low	101 Å²	101	124.4 Å²	124.4	61%	0.612	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-99.7	141	175.3	-178.7	0	0	0	0	109.7
552	R	73.9	Confident	51.5	Low	197 Å²	197	123 Å²	123	74%	0.743	64%	0.635	S	S	*	*			trans	-114.1	134	173.1	-56.7	-177.2	-148.8	176.8	7.7	109.3
553	L	74.4	Confident	53.4	Low	162 Å²	162	120 Å²	120	85%	0.848	62%	0.623	S	S	*	*			trans	-92.1	128.4	171	-170.7	140.3	0	0	0	108.7
554	I	69.4	Low	55.5	Low	53 Å²	53	113.4 Å²	113.4	27%	0.272	59%	0.589	S	S	.	*			trans	-121.4	123.6	-178.6	-57.6	166.9	0	0	0	108	F556 T592 L593	I554-F556 HydrophobicContact CB-CE2 4.15Å; I554-F556 HydrophobicContact CB-CZ 4.28Å; I554-F556 HydrophobicContact CG2-CD2 4.28Å; I554-F556 HydrophobicContact CG2-CE1 3.97Å; I554-F556 HydrophobicContact CG2-CE2 3.5Å; I554-F556 HydrophobicContact CG2-CZ 3.29Å; I554-T592 VanDerWaalsContact CD1-O 3.26Å; I554-T592 WeakPolarHBondContact CD1-O 3.25Å; I554-T592 VanDerWaalsContact CG2-CB 3.47Å; I554-T592 HydrophobicContact CG2-CG2 4.19Å; I554-L593 HydrophobicContact CD1-CD2 3.71Å; I554-L593 HydrophobicContact CD1-CG 3.86Å
555	Q	69.4	Low	57.9	Low	152 Å²	152	108.7 Å²	108.7	71%	0.71	56%	0.558	S	S	*	*			trans	-105.8	131.2	176.2	-171.5	175.8	-1.2	0	0	110.2
556	F	65.1	Low	60.8	Low	57 Å²	57	102 Å²	102	25%	0.25	52%	0.522	C	S	.	.			trans	-111.4	126.7	175	-58.7	-85.8	0	0	0	109.3	I554 R558 M564 V587 T592 L593	I554-F556 HydrophobicContact CB-CE2 4.15Å; I554-F556 HydrophobicContact CB-CZ 4.28Å; I554-F556 HydrophobicContact CG2-CD2 4.28Å; I554-F556 HydrophobicContact CG2-CE1 3.97Å; I554-F556 HydrophobicContact CG2-CE2 3.5Å; I554-F556 HydrophobicContact CG2-CZ 3.29Å; F556-R558 PolarHBondContact O-N 3.49Å; F556-M564 HydrophobicContact CD1-CE 3.92Å; F556-M564 HydrophobicContact CD2-CE 3.7Å; F556-M564 HydrophobicContact CE1-CE 4.04Å; F556-M564 HydrophobicContact CE2-CE 3.81Å; F556-M564 HydrophobicContact CG-CE 3.78Å; F556-M564 HydrophobicContact CZ-CE 4.01Å; F556-V587 HydrophobicContact CD1-CG2 4.26Å; F556-V587 HydrophobicContact CE1-CG2 3.73Å; F556-V587 HydrophobicContact CZ-CG2 4.35Å; F556-T592 WeakPolarHBondContact CE1-OG1 3.41Å; F556-T592 WeakPolarHBondContact CZ-OG1 3.43Å; F556-L593 HydrophobicContact CE1-CD1 4.16Å; F556-L593 HydrophobicContact CE2-CD1 3.93Å; F556-L593 HydrophobicContact CZ-CD1 3.29Å; F556-L593 HydrophobicContact CZ-CG 3.78Å
557	Q	58.7	Low	63.5	Low	127 Å²	127	99.6 Å²	99.6	59%	0.593	50%	0.503	S	S	*	.			trans	-90.2	102.9	167.6	-164.6	173.7	1.8	0	0	108.9
558	R	58.2	Low	66.1	Low	73 Å²	73	95.3 Å²	95.3	28%	0.275	47%	0.474	S	S	.	.			trans	-92.2	105.5	179.3	-174	166.5	-172.5	-161.5	-0.6	109.9	F556 T560 E562 M586 L619	F556-R558 PolarHBondContact O-N 3.49Å; R558-T560 PolarHBondContact NE-O 2.9Å; R558-E562 PolarHBondContact NE-O 3.16Å; R558-E562 PolarHBondContact NH2-O 3.35Å; R558-E562 VanDerWaalsContact NH2-O 3.13Å; R558-M586 HydrophobicContact CB-SD 4.48Å; R558-M586 HydrophobicContact CG-CE 3.87Å; R558-M586 HydrophobicContact CG-SD 4.44Å; R558-L619 PolarHBondContact NH1-O 3.43Å
559	N	55.9	Low	68.7	Low	95 Å²	95	92.9 Å²	92.9	51%	0.508	46%	0.457	S	S	.	.			trans	-100.4	3.4	-179.6	-76.8	-4.1	0	0	0	114.2
560	T	53.6	Low	70.5	Confident	79 Å²	79	92.3 Å²	92.3	49%	0.485	45%	0.45	S	S	.	.	S	Bend	trans	-153.9	162.5	-175.3	56	0	0	0	0	112.2	R558 E562	R558-T560 PolarHBondContact NE-O 2.9Å; T560-E562 PolarHBondContact O-N 3.43Å; T560-E562 VanDerWaalsContact OG1-CB 3.29Å; T560-E562 WeakPolarHBondContact OG1-CB 3.44Å
561	D	58.1	Low	71.9	Confident	129 Å²	129	84 Å²	84	69%	0.69	42%	0.422	S	S	*	.	S	Bend	trans	-64	3.5	170.4	-73.1	-33.1	0	0	0	113.6	R623	D561-R623 IonicContact OD1-CZ 3.96Å; D561-R623 IonicContact OD1-NH2 2.96Å; D561-R623 PolarHBondContact OD1-NH2 2.79Å; D561-R623 IonicContact OD2-NH2 3.25Å
562	E	64.7	Low	72.4	Confident	58 Å²	58	89.1 Å²	89.1	27%	0.271	44%	0.44	S	S	.	.			trans	-58.2	133.9	176	-168.3	-175.8	168.3	0	0	110.8	R558 T560 M586 R589	R558-E562 PolarHBondContact NE-O 3.16Å; R558-E562 PolarHBondContact NH2-O 3.35Å; R558-E562 VanDerWaalsContact NH2-O 3.13Å; T560-E562 PolarHBondContact O-N 3.43Å; T560-E562 VanDerWaalsContact OG1-CB 3.29Å; T560-E562 WeakPolarHBondContact OG1-CB 3.44Å; E562-M586 HydrophobicContact CB-CE 4.39Å; E562-R589 IonicContact OE1-CZ 3.9Å; E562-R589 VanDerWaalsContact OE1-CZ 3.26Å; E562-R589 IonicContact OE1-NH1 2.68Å; E562-R589 PolarHBondContact OE1-NH1 2.93Å; E562-R589 IonicContact OE1-NH2 2.64Å; E562-R589 PolarHBondContact OE1-NH2 3.28Å; E562-R589 IonicContact OE2-CZ 2.7Å; E562-R589 IonicContact OE2-NH1 3.06Å; E562-R589 IonicContact OE2-NH2 3.49Å; E562-R589 PolarHBondContact OE2-NH2 3.11Å
563	P	67.6	Low	72.9	Confident	94 Å²	94	85.9 Å²	85.9	61%	0.61	43%	0.433	S	S	*	.			trans	-64.8	145.5	172.4	26.9	-33.3	0	0	0	110.3	G565	P563-G565 PolarHBondContact O-N 3.25Å
564	M	72.2	Confident	73.2	Confident	24 Å²	24	78.8 Å²	78.8	12%	0.118	40%	0.399	C	S	.	.			trans	-56	-23	177.6	-73	-175.6	75.3	0	0	113.2	F556 I566 M586 V587 L619	F556-M564 HydrophobicContact CD1-CE 3.92Å; F556-M564 HydrophobicContact CD2-CE 3.7Å; F556-M564 HydrophobicContact CE1-CE 4.04Å; F556-M564 HydrophobicContact CE2-CE 3.81Å; F556-M564 HydrophobicContact CG-CE 3.78Å; F556-M564 HydrophobicContact CZ-CE 4.01Å; M564-I566 HydrophobicContact CB-CD1 4.48Å; M564-I566 HydrophobicContact CB-CG1 4.13Å; M564-I566 HydrophobicContact CE-CD1 4.32Å; M564-I566 HydrophobicContact SD-CD1 4.42Å; M564-M586 HydrophobicContact CG-SD 4.36Å; M564-M586 PolarHBondContact O-N 3.01Å; M564-V587 HydrophobicContact CB-CG2 3.96Å; M564-V587 HydrophobicContact CE-CG2 3.71Å; M564-V587 WeakPolarHBondContact O-CB 3.43Å; M564-V587 VanDerWaalsContact O-CG2 3.3Å; M564-V587 WeakPolarHBondContact O-CG2 3.37Å; M564-V587 PolarHBondContact O-N 2.77Å; M564-L619 HydrophobicContact SD-CB 4.46Å; M564-L619 HydrophobicContact SD-CD1 4.34Å; M564-L619 HydrophobicContact SD-CD2 3.85Å; M564-L619 HydrophobicContact SD-CG 4.45Å
565	G	79.4	Confident	74	Confident	10 Å²	10	79.3 Å²	79.3	10%	0.103	40%	0.399	C	S	.	.			trans	76.5	37.2	-178.6	0	0	0	0	0	112.3	P563 I581 M582	P563-G565 PolarHBondContact O-N 3.25Å; G565-I581 CarbonylContact O-C 3.58Å; G565-M582 WeakPolarHBondContact O-CB 3.28Å; G565-M582 PolarHBondContact O-N 3Å
566	I	85.4	Confident	74.9	Confident	33 Å²	33	72.1 Å²	72.1	17%	0.169	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.6	176	61.9	175.8	0	0	0	110.8	M564 M568 I578 R580 I581 V587 L593 L619	M564-I566 HydrophobicContact CB-CD1 4.48Å; M564-I566 HydrophobicContact CB-CG1 4.13Å; M564-I566 HydrophobicContact CE-CD1 4.32Å; M564-I566 HydrophobicContact SD-CD1 4.42Å; I566-M568 HydrophobicContact CD1-CG 4.49Å; I566-M568 HydrophobicContact CD1-SD 4.34Å; I566-I578 HydrophobicContact CD1-CD1 4.17Å; I566-R580 CarbonylContact C-O 3.6Å; I566-R580 WeakPolarHBondContact CA-O 3.34Å; I566-I581 HydrophobicContact CG2-CG1 4.27Å; I566-V587 HydrophobicContact CG2-CB 3.64Å; I566-V587 HydrophobicContact CG2-CG1 3.67Å; I566-V587 HydrophobicContact CG2-CG2 3.64Å; I566-L593 HydrophobicContact CD1-CD1 4.38Å; I566-L619 HydrophobicContact CD1-CD1 4.3Å
567	T	84.3	Confident	76	Confident	58 Å²	58	70.5 Å²	70.5	36%	0.356	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.2	163.2	68.9	0	0	0	0	109.2	A579 R580	T567-A579 PolarHBondContact O-N 3.42Å; T567-R580 PolarHBondContact N-O 3.17Å; T567-R580 PolarHBondContact O-N 2.97Å; T567-R580 VanDerWaalsContact OG1-CB 3.24Å; T567-R580 WeakPolarHBondContact OG1-CB 3.22Å; T567-R580 PolarHBondContact OG1-N 3.44Å; T567-R580 VanDerWaalsContact OG1-N 3.16Å
568	M	87.5	Confident	77.4	Confident	22 Å²	22	64.5 Å²	64.5	11%	0.108	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.4	-179	-64.3	161.8	90.8	0	0	108.7	I566 C576 I577 I578 V599 I602 L615 L619	I566-M568 HydrophobicContact CD1-CG 4.49Å; I566-M568 HydrophobicContact CD1-SD 4.34Å; M568-C576 WeakPolarHBondContact CE-SG 3.45Å; M568-I577 CarbonylContact C-O 3.34Å; M568-I577 WeakPolarHBondContact CA-O 3.34Å; M568-I578 HydrophobicContact CG-CD1 3.98Å; M568-V599 HydrophobicContact CE-CB 4.3Å; M568-V599 HydrophobicContact CE-CG1 4.38Å; M568-V599 HydrophobicContact CE-CG2 4.12Å; M568-I602 HydrophobicContact CE-CD1 4.05Å; M568-L615 HydrophobicContact CE-CB 4.44Å; M568-L615 HydrophobicContact CE-CD1 4.34Å; M568-L619 HydrophobicContact CE-CD1 4.4Å; M568-L619 HydrophobicContact SD-CD1 3.68Å
569	K	88.5	Confident	78.8	Confident	119 Å²	119	62.7 Å²	62.7	52%	0.517	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.8	170.6	69.6	179.8	-178.5	173.2	0	109.2	I577 A579	K569-I577 HydrophobicContact CG-CB 4.16Å; K569-I577 PolarHBondContact N-O 3.11Å; K569-I577 PolarHBondContact O-N 3.43Å; K569-A579 HydrophobicContact CB-CB 3.99Å; K569-A579 HydrophobicContact CD-CB 3.97Å; K569-A579 HydrophobicContact CG-CB 3.87Å
570	I	88.3	Confident	80.2	Confident	69 Å²	69	66 Å²	66	35%	0.354	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128.8	170.5	-54.9	172.5	0	0	0	106.8	K575 E610 V612	I570-K575 WeakPolarHBondContact CA-O 3.39Å; I570-E610 WeakPolarHBondContact CD1-O 3.45Å; I570-V612 HydrophobicContact CD1-CG2 4Å; I570-V612 HydrophobicContact CG1-CG2 3.92Å
571	N	84.2	Confident	81.6	Confident	51 Å²	51	63.9 Å²	63.9	27%	0.273	32%	0.323	S	S	.	.			trans	-79.1	175.2	175	75	-6.2	0	0	0	111.2	E573 G574 K575 I577	N571-E573 PolarHBondContact O-N 3.36Å; N571-E573 VanDerWaalsContact O-N 3.09Å; N571-E573 WeakPolarHBondContact OD1-CA 3.47Å; N571-E573 PolarHBondContact OD1-N 3.37Å; N571-E573 VanDerWaalsContact OD1-N 3.12Å; N571-G574 PolarHBondContact O-N 3.03Å; N571-G574 PolarHBondContact OD1-N 3.17Å; N571-K575 PolarHBondContact N-O 3.4Å; N571-K575 WeakPolarHBondContact OD1-CA 3.36Å; N571-K575 WeakPolarHBondContact OD1-CB 3.4Å; N571-K575 PolarHBondContact OD1-N 3.48Å; N571-K575 PolarHBondContact OD1-O 2.88Å; N571-I577 HydrophobicContact CB-CG1 4.23Å
572	E	82.2	Confident	82.4	Confident	209 Å²	209	62.5 Å²	62.5	98%	0.977	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.1	179.6	-62.4	179.7	177.4	0	0	113.4
573	E	82.9	Confident	82.6	Confident	130 Å²	130	67.3 Å²	67.3	61%	0.607	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	4	177.5	-57.2	176.6	174.8	0	0	113.6	N571 K575	N571-E573 PolarHBondContact O-N 3.36Å; N571-E573 VanDerWaalsContact O-N 3.09Å; N571-E573 WeakPolarHBondContact OD1-CA 3.47Å; N571-E573 PolarHBondContact OD1-N 3.37Å; N571-E573 VanDerWaalsContact OD1-N 3.12Å; E573-K575 VanDerWaalsContact C-N 3.33Å; E573-K575 HydrophobicContact CB-CD 4.35Å; E573-K575 HydrophobicContact CB-CG 4.39Å; E573-K575 PolarHBondContact O-N 2.86Å; E573-K575 WeakPolarHBondContact OE2-CD 3.34Å; E573-K575 VanDerWaalsContact OE2-CE 3.27Å; E573-K575 WeakPolarHBondContact OE2-CE 3.41Å; E573-K575 IonicContact OE2-NZ 3.36Å; E573-K575 PolarHBondContact OE2-NZ 2.92Å
574	G	80.8	Confident	82.6	Confident	12 Å²	12	64.5 Å²	64.5	12%	0.124	32%	0.323	C	S	.	.	S	Bend	trans	79	11	-179.3	0	0	0	0	0	115	N571 N609	N571-G574 PolarHBondContact O-N 3.03Å; N571-G574 PolarHBondContact OD1-N 3.17Å; G574-N609 PolarHBondContact O-N 3.44Å; G574-N609 VanDerWaalsContact O-N 3.16Å
575	K	86.2	Confident	82.6	Confident	65 Å²	65	63.8 Å²	63.8	28%	0.283	32%	0.323	S	S	.	.			trans	-89.7	138.1	179.3	-60.6	169.8	174.2	166.1	0	111.2	I570 N571 E573 I577 E598	I570-K575 WeakPolarHBondContact CA-O 3.39Å; N571-K575 PolarHBondContact N-O 3.4Å; N571-K575 WeakPolarHBondContact OD1-CA 3.36Å; N571-K575 WeakPolarHBondContact OD1-CB 3.4Å; N571-K575 PolarHBondContact OD1-N 3.48Å; N571-K575 PolarHBondContact OD1-O 2.88Å; E573-K575 VanDerWaalsContact C-N 3.33Å; E573-K575 HydrophobicContact CB-CD 4.35Å; E573-K575 HydrophobicContact CB-CG 4.39Å; E573-K575 PolarHBondContact O-N 2.86Å; E573-K575 WeakPolarHBondContact OE2-CD 3.34Å; E573-K575 VanDerWaalsContact OE2-CE 3.27Å; E573-K575 WeakPolarHBondContact OE2-CE 3.41Å; E573-K575 IonicContact OE2-NZ 3.36Å; E573-K575 PolarHBondContact OE2-NZ 2.92Å; K575-I577 HydrophobicContact CB-CD1 4.39Å; K575-E598 HydrophobicContact CB-CG 4.26Å
576	C	88.2	Confident	82.3	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.007	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	119	176.5	-178.3	0	0	0	0	111.2	M568 E598 V599 L615	M568-C576 WeakPolarHBondContact CE-SG 3.45Å; C576-E598 CarbonylContact O-C 3.58Å; C576-E598 WeakPolarHBondContact O-CA 3.36Å; C576-V599 HydrophobicContact CB-CB 4.49Å; C576-V599 PolarHBondContact O-N 3.21Å; C576-L615 HydrophobicContact CB-CD1 4.06Å
577	I	89.2	Confident	82	Confident	22 Å²	22	62.2 Å²	62.2	11%	0.113	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.5	-178.4	-52.3	-60.4	0	0	0	110.3	M568 K569 N571 K575 A579 D597 E598	M568-I577 CarbonylContact C-O 3.34Å; M568-I577 WeakPolarHBondContact CA-O 3.34Å; K569-I577 HydrophobicContact CG-CB 4.16Å; K569-I577 PolarHBondContact N-O 3.11Å; K569-I577 PolarHBondContact O-N 3.43Å; N571-I577 HydrophobicContact CB-CG1 4.23Å; K575-I577 HydrophobicContact CB-CD1 4.39Å; I577-A579 PolarHBondContact O-N 3.05Å; I577-D597 CarbonylContact C-O 3.28Å; I577-D597 WeakPolarHBondContact CA-O 3.47Å; I577-E598 HydrophobicContact CD1-CB 3.78Å; I577-E598 HydrophobicContact CD1-CG 3.99Å
578	I	88.5	Confident	81.6	Confident	1 Å²	1	63 Å²	63	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	115.8	169.9	-55.2	-55.2	0	0	0	109.6	I566 M568 I581 L593 H594 G596 D597 V599	I566-I578 HydrophobicContact CD1-CD1 4.17Å; M568-I578 HydrophobicContact CG-CD1 3.98Å; I578-I581 HydrophobicContact CG2-CD1 4.46Å; I578-I581 HydrophobicContact CG2-CG1 3.96Å; I578-L593 HydrophobicContact CD1-CD2 4.32Å; I578-L593 HydrophobicContact CG1-CD2 4.01Å; I578-H594 WeakPolarHBondContact CB-O 3.29Å; I578-G596 PolarHBondContact O-N 2.71Å; I578-D597 HydrophobicContact CG1-CB 4.11Å; I578-D597 PolarHBondContact N-O 2.71Å; I578-V599 HydrophobicContact CD1-CG2 3.59Å; I578-V599 HydrophobicContact CG1-CG2 4.09Å
579	A	87.3	Confident	81.1	Confident	36 Å²	36	67.8 Å²	67.8	30%	0.298	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-36.3	-175.7	0	0	0	0	0	113.2	T567 K569 I577 V595	T567-A579 PolarHBondContact O-N 3.42Å; K569-A579 HydrophobicContact CB-CB 3.99Å; K569-A579 HydrophobicContact CD-CB 3.97Å; K569-A579 HydrophobicContact CG-CB 3.87Å; I577-A579 PolarHBondContact O-N 3.05Å; A579-V595 WeakPolarHBondContact O-CG1 3.48Å
580	R	85.7	Confident	80.4	Confident	165 Å²	165	66 Å²	66	62%	0.623	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.4	146.7	178.5	-169.1	177	-72.8	177.5	-3.9	109.9	I566 T567	I566-R580 CarbonylContact C-O 3.6Å; I566-R580 WeakPolarHBondContact CA-O 3.34Å; T567-R580 PolarHBondContact N-O 3.17Å; T567-R580 PolarHBondContact O-N 2.97Å; T567-R580 VanDerWaalsContact OG1-CB 3.24Å; T567-R580 WeakPolarHBondContact OG1-CB 3.22Å; T567-R580 PolarHBondContact OG1-N 3.44Å; T567-R580 VanDerWaalsContact OG1-N 3.16Å
581	I	83.6	Confident	79.8	Confident	34 Å²	34	64.8 Å²	64.8	17%	0.174	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.6	167.9	-61	172.6	0	0	0	107.2	G565 I566 I578 H583 V587 H588 L593 V595	G565-I581 CarbonylContact O-C 3.58Å; I566-I581 HydrophobicContact CG2-CG1 4.27Å; I578-I581 HydrophobicContact CG2-CD1 4.46Å; I578-I581 HydrophobicContact CG2-CG1 3.96Å; I581-H583 PolarHBondContact O-N 3.24Å; I581-V587 HydrophobicContact CD1-CG1 4.28Å; I581-V587 HydrophobicContact CG2-CG1 4.28Å; I581-H588 HydrophobicContact CG2-CB 3.78Å; I581-L593 WeakPolarHBondContact CD1-O 3.35Å; I581-V595 HydrophobicContact CB-CG2 4.34Å; I581-V595 HydrophobicContact CD1-CG2 4.18Å; I581-V595 HydrophobicContact CG1-CG2 3.92Å
582	M	74.2	Confident	79.4	Confident	99 Å²	99	64.8 Å²	64.8	49%	0.488	33%	0.329	S	S	.	.			trans	-74	116.3	178.7	-60.4	-64	-71.5	0	0	108.7	G565 G584 G585 H588	G565-M582 WeakPolarHBondContact O-CB 3.28Å; G565-M582 PolarHBondContact O-N 3Å; M582-G584 PolarHBondContact O-N 3.24Å; M582-G585 PolarHBondContact O-N 3.41Å; M582-H588 WeakPolarHBondContact O-CB 3.41Å
583	H	68.7	Low	79.4	Confident	159 Å²	159	55.7 Å²	55.7	74%	0.736	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	131.2	177.8	-169	81.7	0	0	0	110.6	I581 G585 H588	I581-H583 PolarHBondContact O-N 3.24Å; H583-G585 VanDerWaalsContact C-N 3.33Å; H583-G585 PolarHBondContact O-N 3.22Å; H583-H588 AromaticContact CE1-CE1 3.28Å; H583-H588 PolarHBondContact CE1-CE1 2.83Å; H583-H588 AromaticContact CE1-NE2 3.47Å; H583-H588 PolarHBondContact CE1-NE2 2.95Å; H583-H588 AromaticContact CG-CE1 3.87Å; H583-H588 AromaticContact CG-NE2 3.82Å; H583-H588 AromaticContact ND1-CD2 3.8Å; H583-H588 AromaticContact ND1-CE1 3.1Å; H583-H588 PolarHBondContact ND1-CE1 2.81Å; H583-H588 AromaticContact ND1-ND1 3.97Å; H583-H588 AromaticContact ND1-NE2 2.9Å; H583-H588 PolarHBondContact ND1-NE2 3.38Å
584	G	67.8	Low	79.4	Confident	35 Å²	35	54.3 Å²	54.3	36%	0.361	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-11.3	-177.2	0	0	0	0	0	115.9	M582 H588 R589	M582-G584 PolarHBondContact O-N 3.24Å; G584-H588 PolarHBondContact N-ND1 2.95Å; G584-R589 PolarHBondContact O-NH1 3Å
585	G	72	Confident	79.6	Confident	10 Å²	10	58 Å²	58	10%	0.103	30%	0.3	C	S	.	.	S	Bend	trans	-71.8	168.1	174.6	0	0	0	0	0	113.5	M582 H583 V587 H588 R589	M582-G585 PolarHBondContact O-N 3.41Å; H583-G585 VanDerWaalsContact C-N 3.33Å; H583-G585 PolarHBondContact O-N 3.22Å; G585-V587 PolarHBondContact O-N 3.03Å; G585-H588 WeakPolarHBondContact O-CB 3.45Å; G585-H588 PolarHBondContact O-N 3.14Å; G585-R589 WeakPolarHBondContact O-CG 3.34Å; G585-R589 PolarHBondContact O-N 3.33Å
586	M	73.9	Confident	79.6	Confident	9 Å²	9	57.2 Å²	57.2	4%	0.044	31%	0.31	C	S	.	.	H	α-helix	trans	-50	-49.1	-177.4	-175.7	-168.5	-48	0	0	114	R558 E562 M564 H588 R589 Q590	R558-M586 HydrophobicContact CB-SD 4.48Å; R558-M586 HydrophobicContact CG-CE 3.87Å; R558-M586 HydrophobicContact CG-SD 4.44Å; E562-M586 HydrophobicContact CB-CE 4.39Å; M564-M586 HydrophobicContact CG-SD 4.36Å; M564-M586 PolarHBondContact O-N 3.01Å; M586-H588 VanDerWaalsContact C-N 3.35Å; M586-H588 PolarHBondContact O-N 2.8Å; M586-R589 PolarHBondContact O-N 2.71Å; M586-Q590 WeakPolarHBondContact O-CG 3.27Å; M586-Q590 PolarHBondContact O-N 2.84Å
587	V	78.8	Confident	79.6	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-66.7	-37.3	179.4	171.2	0	0	0	0	111.7	F556 M564 I566 I581 G585 R589 Q590 G591 L593	F556-V587 HydrophobicContact CD1-CG2 4.26Å; F556-V587 HydrophobicContact CE1-CG2 3.73Å; F556-V587 HydrophobicContact CZ-CG2 4.35Å; M564-V587 HydrophobicContact CB-CG2 3.96Å; M564-V587 HydrophobicContact CE-CG2 3.71Å; M564-V587 WeakPolarHBondContact O-CB 3.43Å; M564-V587 VanDerWaalsContact O-CG2 3.3Å; M564-V587 WeakPolarHBondContact O-CG2 3.37Å; M564-V587 PolarHBondContact O-N 2.77Å; I566-V587 HydrophobicContact CG2-CB 3.64Å; I566-V587 HydrophobicContact CG2-CG1 3.67Å; I566-V587 HydrophobicContact CG2-CG2 3.64Å; I581-V587 HydrophobicContact CD1-CG1 4.28Å; I581-V587 HydrophobicContact CG2-CG1 4.28Å; G585-V587 PolarHBondContact O-N 3.03Å; V587-R589 VanDerWaalsContact C-N 3.32Å; V587-R589 PolarHBondContact O-N 2.71Å; V587-Q590 PolarHBondContact O-N 3.37Å; V587-G591 PolarHBondContact O-N 3.44Å; V587-L593 HydrophobicContact CG1-CB 3.68Å; V587-L593 HydrophobicContact CG1-CD1 4.19Å; V587-L593 HydrophobicContact CG2-CD1 4.36Å
588	H	76.1	Confident	79.6	Confident	73 Å²	73	61.7 Å²	61.7	34%	0.338	33%	0.332	S	S	.	.	H	α-helix	trans	-63.2	-39.1	174.8	-178.4	-91.4	0	0	0	111.8	I581 M582 H583 G584 G585 M586	I581-H588 HydrophobicContact CG2-CB 3.78Å; M582-H588 WeakPolarHBondContact O-CB 3.41Å; H583-H588 AromaticContact CE1-CE1 3.28Å; H583-H588 PolarHBondContact CE1-CE1 2.83Å; H583-H588 AromaticContact CE1-NE2 3.47Å; H583-H588 PolarHBondContact CE1-NE2 2.95Å; H583-H588 AromaticContact CG-CE1 3.87Å; H583-H588 AromaticContact CG-NE2 3.82Å; H583-H588 AromaticContact ND1-CD2 3.8Å; H583-H588 AromaticContact ND1-CE1 3.1Å; H583-H588 PolarHBondContact ND1-CE1 2.81Å; H583-H588 AromaticContact ND1-ND1 3.97Å; H583-H588 AromaticContact ND1-NE2 2.9Å; H583-H588 PolarHBondContact ND1-NE2 3.38Å; G584-H588 PolarHBondContact N-ND1 2.95Å; G585-H588 WeakPolarHBondContact O-CB 3.45Å; G585-H588 PolarHBondContact O-N 3.14Å; M586-H588 VanDerWaalsContact C-N 3.35Å; M586-H588 PolarHBondContact O-N 2.8Å
589	R	75.7	Confident	79.6	Confident	123 Å²	123	62.7 Å²	62.7	46%	0.464	34%	0.338	S	S	.	.	H	α-helix	trans	-72	-28.1	177.7	-65.3	-167.7	-57	-104.5	5.2	113.1	E562 G584 G585 M586 V587	E562-R589 IonicContact OE1-CZ 3.9Å; E562-R589 VanDerWaalsContact OE1-CZ 3.26Å; E562-R589 IonicContact OE1-NH1 2.68Å; E562-R589 PolarHBondContact OE1-NH1 2.93Å; E562-R589 IonicContact OE1-NH2 2.64Å; E562-R589 PolarHBondContact OE1-NH2 3.28Å; E562-R589 IonicContact OE2-CZ 2.7Å; E562-R589 IonicContact OE2-NH1 3.06Å; E562-R589 IonicContact OE2-NH2 3.49Å; E562-R589 PolarHBondContact OE2-NH2 3.11Å; G584-R589 PolarHBondContact O-NH1 3Å; G585-R589 WeakPolarHBondContact O-CG 3.34Å; G585-R589 PolarHBondContact O-N 3.33Å; M586-R589 PolarHBondContact O-N 2.71Å; V587-R589 VanDerWaalsContact C-N 3.32Å; V587-R589 PolarHBondContact O-N 2.71Å
590	Q	75.1	Confident	79.5	Confident	81 Å²	81	65.3 Å²	65.3	38%	0.379	34%	0.34	S	S	.	.	H	α-helix	trans	-90	-23.7	178.8	-70.5	-174.9	-9.5	0	0	113.5	M586 V587 T592	M586-Q590 WeakPolarHBondContact O-CG 3.27Å; M586-Q590 PolarHBondContact O-N 2.84Å; V587-Q590 PolarHBondContact O-N 3.37Å; Q590-T592 HydrophobicContact CB-CG2 4.15Å; Q590-T592 PolarHBondContact O-N 3.37Å
591	G	74	Confident	79.5	Confident	45 Å²	45	63.6 Å²	63.6	46%	0.464	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	18.6	177	0	0	0	0	0	114.9	V587	V587-G591 PolarHBondContact O-N 3.44Å
592	T	77.4	Confident	79.3	Confident	51 Å²	51	62.8 Å²	62.8	31%	0.313	34%	0.335	S	S	.	.			trans	-89.5	-31.9	-170.6	52.2	0	0	0	0	114.3	I554 F556 Q590	I554-T592 VanDerWaalsContact CD1-O 3.26Å; I554-T592 WeakPolarHBondContact CD1-O 3.25Å; I554-T592 VanDerWaalsContact CG2-CB 3.47Å; I554-T592 HydrophobicContact CG2-CG2 4.19Å; F556-T592 WeakPolarHBondContact CE1-OG1 3.41Å; F556-T592 WeakPolarHBondContact CZ-OG1 3.43Å; Q590-T592 HydrophobicContact CB-CG2 4.15Å; Q590-T592 PolarHBondContact O-N 3.37Å
593	L	81.9	Confident	79.1	Confident	18 Å²	18	64 Å²	64	9%	0.094	34%	0.344	C	S	.	.	S	Bend	trans	-105.6	148.1	171.4	-79.6	157.5	0	0	0	109.7	I554 F556 I566 I578 I581 V587 D597	I554-L593 HydrophobicContact CD1-CD2 3.71Å; I554-L593 HydrophobicContact CD1-CG 3.86Å; F556-L593 HydrophobicContact CE1-CD1 4.16Å; F556-L593 HydrophobicContact CE2-CD1 3.93Å; F556-L593 HydrophobicContact CZ-CD1 3.29Å; F556-L593 HydrophobicContact CZ-CG 3.78Å; I566-L593 HydrophobicContact CD1-CD1 4.38Å; I578-L593 HydrophobicContact CD1-CD2 4.32Å; I578-L593 HydrophobicContact CG1-CD2 4.01Å; I581-L593 WeakPolarHBondContact CD1-O 3.35Å; V587-L593 HydrophobicContact CG1-CB 3.68Å; V587-L593 HydrophobicContact CG1-CD1 4.19Å; V587-L593 HydrophobicContact CG2-CD1 4.36Å; L593-D597 HydrophobicContact CD2-CB 4.23Å
594	H	82.2	Confident	79.2	Confident	100 Å²	100	59.5 Å²	59.5	46%	0.463	34%	0.34	S	S	.	.			trans	-120.4	155.2	175.8	-60	81.7	0	0	0	110.9	I578 G596 D597	I578-H594 WeakPolarHBondContact CB-O 3.29Å; H594-G596 PolarHBondContact O-N 3.08Å; H594-D597 PolarHBondContact N-OD2 2.9Å; H594-D597 IonicContact ND1-OD2 3.27Å; H594-D597 WeakPolarHBondContact O-CB 3.23Å; H594-D597 PolarHBondContact O-N 2.65Å
595	V	85.8	Confident	79.8	Confident	90 Å²	90	61.3 Å²	61.3	55%	0.545	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	126.8	170.5	178.8	0	0	0	0	108.4	A579 I581	A579-V595 WeakPolarHBondContact O-CG1 3.48Å; I581-V595 HydrophobicContact CB-CG2 4.34Å; I581-V595 HydrophobicContact CD1-CG2 4.18Å; I581-V595 HydrophobicContact CG1-CG2 3.92Å
596	G	86.2	Confident	80.3	Confident	48 Å²	48	63.4 Å²	63.4	50%	0.495	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	103	-11.5	-175.1	0	0	0	0	0	114.8	I578 H594 E598	I578-G596 PolarHBondContact O-N 2.71Å; H594-G596 PolarHBondContact O-N 3.08Å; G596-E598 PolarHBondContact O-N 3.03Å
597	D	88.1	Confident	80.7	Confident	46 Å²	46	63.1 Å²	63.1	25%	0.246	35%	0.353	C	S	.	.			trans	-64.7	135	177.8	-73.2	-11.6	0	0	0	111.6	I577 I578 L593 H594	I577-D597 CarbonylContact C-O 3.28Å; I577-D597 WeakPolarHBondContact CA-O 3.47Å; I578-D597 HydrophobicContact CG1-CB 4.11Å; I578-D597 PolarHBondContact N-O 2.71Å; L593-D597 HydrophobicContact CD2-CB 4.23Å; H594-D597 PolarHBondContact N-OD2 2.9Å; H594-D597 IonicContact ND1-OD2 3.27Å; H594-D597 WeakPolarHBondContact O-CB 3.23Å; H594-D597 PolarHBondContact O-N 2.65Å
598	E	89.4	Confident	80.8	Confident	72 Å²	72	66.6 Å²	66.6	34%	0.336	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	112.9	171.8	-175.3	-172.3	138.1	0	0	109.8	K575 C576 I577 G596 R600	K575-E598 HydrophobicContact CB-CG 4.26Å; C576-E598 CarbonylContact O-C 3.58Å; C576-E598 WeakPolarHBondContact O-CA 3.36Å; I577-E598 HydrophobicContact CD1-CB 3.78Å; I577-E598 HydrophobicContact CD1-CG 3.99Å; G596-E598 PolarHBondContact O-N 3.03Å; E598-R600 HydrophobicContact CG-CG 4.22Å; E598-R600 PolarHBondContact O-N 2.81Å; E598-R600 VanDerWaalsContact OE1-CG 3.3Å; E598-R600 WeakPolarHBondContact OE1-CG 3.26Å; E598-R600 IonicContact OE1-CZ 2.62Å; E598-R600 IonicContact OE1-NE 2.67Å; E598-R600 PolarHBondContact OE1-NE 2.62Å; E598-R600 IonicContact OE1-NH2 2.78Å
599	V	87.3	Confident	80.8	Confident	21 Å²	21	69.6 Å²	69.6	13%	0.127	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	109	173	-173.3	0	0	0	0	107.1	M568 C576 I578 I602 T607	M568-V599 HydrophobicContact CE-CB 4.3Å; M568-V599 HydrophobicContact CE-CG1 4.38Å; M568-V599 HydrophobicContact CE-CG2 4.12Å; C576-V599 HydrophobicContact CB-CB 4.49Å; C576-V599 PolarHBondContact O-N 3.21Å; I578-V599 HydrophobicContact CD1-CG2 3.59Å; I578-V599 HydrophobicContact CG1-CG2 4.09Å; V599-I602 HydrophobicContact CG1-CD1 4.11Å; V599-I602 HydrophobicContact CG1-CG1 3.68Å; V599-T607 HydrophobicContact CG1-CG2 3.9Å; V599-T607 WeakPolarHBondContact O-CB 3.44Å; V599-T607 PolarHBondContact O-OG1 3.46Å
600	R	86.1	Confident	81.1	Confident	91 Å²	91	66 Å²	66	34%	0.343	38%	0.381	S	S	.	.			trans	-87.6	-35.6	178.2	-71.9	-168.9	173.9	169.4	5.7	114	T549 E598 T607	T549-R600 PolarHBondContact OG1-NH1 3.18Å; T549-R600 PolarHBondContact OG1-NH2 2.96Å; E598-R600 HydrophobicContact CG-CG 4.22Å; E598-R600 PolarHBondContact O-N 2.81Å; E598-R600 VanDerWaalsContact OE1-CG 3.3Å; E598-R600 WeakPolarHBondContact OE1-CG 3.26Å; E598-R600 IonicContact OE1-CZ 2.62Å; E598-R600 IonicContact OE1-NE 2.67Å; E598-R600 PolarHBondContact OE1-NE 2.62Å; E598-R600 IonicContact OE1-NH2 2.78Å; R600-T607 VanDerWaalsContact C-OG1 3.27Å; R600-T607 WeakPolarHBondContact CA-OG1 3.48Å; R600-T607 PolarHBondContact O-N 3.41Å; R600-T607 PolarHBondContact O-OG1 2.86Å
601	E	85.9	Confident	81.4	Confident	130 Å²	130	64.6 Å²	64.6	61%	0.607	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	147.9	-176.9	-65.5	-178.2	-172.5	0	0	110.9	I605	E601-I605 CarbonylContact C-O 3.59Å; E601-I605 VanDerWaalsContact CA-O 3.3Å; E601-I605 WeakPolarHBondContact CA-O 3.34Å
602	I	79.8	Confident	81.8	Confident	17 Å²	17	64 Å²	64	9%	0.087	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	111.9	172.5	-57.8	171.4	0	0	0	107	M568 V599 G604 I605 T607 L615 L619 L622	M568-I602 HydrophobicContact CE-CD1 4.05Å; V599-I602 HydrophobicContact CG1-CD1 4.11Å; V599-I602 HydrophobicContact CG1-CG1 3.68Å; I602-G604 VanDerWaalsContact C-N 3.29Å; I602-G604 PolarHBondContact O-N 3.2Å; I602-I605 PolarHBondContact N-O 3.29Å; I602-I605 WeakPolarHBondContact O-CB 3.29Å; I602-I605 PolarHBondContact O-N 3.43Å; I602-T607 HydrophobicContact CD1-CG2 3.86Å; I602-T607 HydrophobicContact CG1-CG2 3.78Å; I602-L615 HydrophobicContact CD1-CD2 4.14Å; I602-L619 HydrophobicContact CD1-CD2 4.04Å; I602-L619 HydrophobicContact CD1-CG 4.16Å; I602-L619 HydrophobicContact CG2-CD2 3.79Å; I602-L622 HydrophobicContact CG2-CD1 3.65Å
603	N	68.1	Low	82	Confident	124 Å²	124	67 Å²	67	66%	0.663	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	44.3	-177.8	-69.3	-8.1	0	0	0	114	I605 L622	N603-I605 VanDerWaalsContact C-N 3.3Å; N603-I605 PolarHBondContact O-N 2.96Å; N603-L622 HydrophobicContact CB-CD1 4.19Å; N603-L622 HydrophobicContact CB-CD2 4.12Å; N603-L622 WeakPolarHBondContact ND2-CD1 3.48Å; N603-L622 WeakPolarHBondContact ND2-CD2 3.23Å; N603-L622 WeakPolarHBondContact ND2-CG 3.48Å
604	G	72.4	Confident	82	Confident	65 Å²	65	69.9 Å²	69.9	67%	0.67	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	1.7	179.9	0	0	0	0	0	115.2	I602	I602-G604 VanDerWaalsContact C-N 3.29Å; I602-G604 PolarHBondContact O-N 3.2Å
605	I	79.3	Confident	81.9	Confident	73 Å²	73	65.1 Å²	65.1	37%	0.374	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.3	175.2	-59.3	168.5	0	0	0	108.5	E601 I602 N603 L618	E601-I605 CarbonylContact C-O 3.59Å; E601-I605 VanDerWaalsContact CA-O 3.3Å; E601-I605 WeakPolarHBondContact CA-O 3.34Å; I602-I605 PolarHBondContact N-O 3.29Å; I602-I605 WeakPolarHBondContact O-CB 3.29Å; I602-I605 PolarHBondContact O-N 3.43Å; N603-I605 VanDerWaalsContact C-N 3.3Å; N603-I605 PolarHBondContact O-N 2.96Å; I605-L618 HydrophobicContact CD1-CD2 3.48Å; I605-L618 VanDerWaalsContact CD1-CD2 3.48Å; I605-L618 HydrophobicContact CG2-CD1 4.04Å
606	S	83.4	Confident	81.4	Confident	54 Å²	54	65.4 Å²	65.4	38%	0.378	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139.8	175.9	-169.6	0	0	0	0	111.1	T608	S606-T608 PolarHBondContact OG-OG1 2.83Å
607	T	82.5	Confident	80.8	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.018	36%	0.364	C	S	.	.			trans	-94.6	-6.1	179.5	59.6	0	0	0	0	113.3	V599 R600 I602 N609 E610 L615	V599-T607 HydrophobicContact CG1-CG2 3.9Å; V599-T607 WeakPolarHBondContact O-CB 3.44Å; V599-T607 PolarHBondContact O-OG1 3.46Å; R600-T607 VanDerWaalsContact C-OG1 3.27Å; R600-T607 WeakPolarHBondContact CA-OG1 3.48Å; R600-T607 PolarHBondContact O-N 3.41Å; R600-T607 PolarHBondContact O-OG1 2.86Å; I602-T607 HydrophobicContact CD1-CG2 3.86Å; I602-T607 HydrophobicContact CG1-CG2 3.78Å; T607-N609 PolarHBondContact O-N 3.31Å; T607-E610 PolarHBondContact O-N 3.22Å; T607-L615 HydrophobicContact CG2-CD2 3.72Å
608	T	80	Confident	80.1	Confident	73 Å²	73	69 Å²	69	45%	0.448	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	131.2	-176.9	52.1	0	0	0	0	110.6	S606 E610	S606-T608 PolarHBondContact OG-OG1 2.83Å; T608-E610 PolarHBondContact O-N 3.21Å
609	N	76.2	Confident	79.2	Confident	137 Å²	137	67.3 Å²	67.3	73%	0.733	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	19.4	-177.8	-63.5	-26.7	0	0	0	116.1	G574 T607	G574-N609 PolarHBondContact O-N 3.44Å; G574-N609 VanDerWaalsContact O-N 3.16Å; T607-N609 PolarHBondContact O-N 3.31Å
610	E	82.6	Confident	78.1	Confident	47 Å²	47	74.3 Å²	74.3	22%	0.22	38%	0.378	C	S	.	.			trans	-95.3	137.5	176.9	-66.5	-67.7	-167.9	0	0	112.4	I570 T607 T608 K614 L615	I570-E610 WeakPolarHBondContact CD1-O 3.45Å; T607-E610 PolarHBondContact O-N 3.22Å; T608-E610 PolarHBondContact O-N 3.21Å; E610-K614 IonicContact OE1-NZ 2.71Å; E610-K614 PolarHBondContact OE1-NZ 2.69Å; E610-K614 WeakPolarHBondContact OE2-CD 3.43Å; E610-K614 WeakPolarHBondContact OE2-CE 3.34Å; E610-K614 IonicContact OE2-NZ 2.81Å; E610-K614 PolarHBondContact OE2-NZ 3.39Å; E610-L615 HydrophobicContact CB-CD1 4.45Å; E610-L615 HydrophobicContact CB-CD2 4.03Å; E610-L615 HydrophobicContact CB-CG 4.1Å
611	S	80.9	Confident	76.8	Confident	51 Å²	51	76 Å²	76	36%	0.357	39%	0.394	S	S	.	.			trans	-60.7	146.2	175.8	65	0	0	0	0	112.4	E613 K614 L615	S611-E613 WeakPolarHBondContact CB-OE2 3.19Å; S611-E613 PolarHBondContact O-N 2.82Å; S611-K614 PolarHBondContact O-N 2.91Å; S611-K614 WeakPolarHBondContact OG-CB 3.12Å; S611-K614 PolarHBondContact OG-N 3.42Å; S611-L615 PolarHBondContact O-N 2.89Å; S611-L615 VanDerWaalsContact O-N 3.1Å
612	V	82.1	Confident	75.2	Confident	32 Å²	32	72.5 Å²	72.5	19%	0.194	38%	0.379	C	S	.	.	H	α-helix	trans	-57.7	-34.8	177.7	179.4	0	0	0	0	110.9	I570 K614 L615 Q616	I570-V612 HydrophobicContact CD1-CG2 4Å; I570-V612 HydrophobicContact CG1-CG2 3.92Å; V612-K614 VanDerWaalsContact C-N 3.34Å; V612-K614 PolarHBondContact O-N 3.21Å; V612-L615 PolarHBondContact O-N 3.46Å; V612-Q616 HydrophobicContact CG1-CG 4.36Å; V612-Q616 WeakPolarHBondContact O-CB 3.5Å; V612-Q616 WeakPolarHBondContact O-CG 3.38Å; V612-Q616 PolarHBondContact O-N 3.23Å
613	E	81	Confident	73.8	Confident	115 Å²	115	80.6 Å²	80.6	54%	0.537	41%	0.408	S	S	.	.	H	α-helix	trans	-66.1	-33.7	178.1	-63.4	72.8	-159.6	0	0	112.7	S611 R617	S611-E613 WeakPolarHBondContact CB-OE2 3.19Å; S611-E613 PolarHBondContact O-N 2.82Å; E613-R617 WeakPolarHBondContact O-CG 3.42Å; E613-R617 PolarHBondContact O-N 2.86Å; E613-R617 PolarHBondContact O-NE 3.18Å
614	K	81.7	Confident	73.1	Confident	78 Å²	78	77.9 Å²	77.9	34%	0.339	41%	0.41	S	S	.	.	H	α-helix	trans	-75.9	-42.1	176.3	-168.8	-168.3	-176.9	177.1	0	110.6	E610 S611 V612 Q616 R617 L618	E610-K614 IonicContact OE1-NZ 2.71Å; E610-K614 PolarHBondContact OE1-NZ 2.69Å; E610-K614 WeakPolarHBondContact OE2-CD 3.43Å; E610-K614 WeakPolarHBondContact OE2-CE 3.34Å; E610-K614 IonicContact OE2-NZ 2.81Å; E610-K614 PolarHBondContact OE2-NZ 3.39Å; S611-K614 PolarHBondContact O-N 2.91Å; S611-K614 WeakPolarHBondContact OG-CB 3.12Å; S611-K614 PolarHBondContact OG-N 3.42Å; V612-K614 VanDerWaalsContact C-N 3.34Å; V612-K614 PolarHBondContact O-N 3.21Å; K614-Q616 VanDerWaalsContact C-N 3.32Å; K614-Q616 PolarHBondContact O-N 2.81Å; K614-R617 WeakPolarHBondContact O-CB 3.47Å; K614-R617 PolarHBondContact O-N 3.27Å; K614-R617 VanDerWaalsContact O-N 3.15Å; K614-L618 WeakPolarHBondContact O-CG 3.15Å; K614-L618 PolarHBondContact O-N 2.92Å
615	L	80.9	Confident	72.8	Confident	1 Å²	1	78.5 Å²	78.5	1%	0.005	40%	0.404	C	S	.	.	H	α-helix	trans	-61.7	-40.4	174.9	-64.3	173	0	0	0	111.6	M568 C576 I602 T607 E610 S611 V612 R617 L618 L619	M568-L615 HydrophobicContact CE-CB 4.44Å; M568-L615 HydrophobicContact CE-CD1 4.34Å; C576-L615 HydrophobicContact CB-CD1 4.06Å; I602-L615 HydrophobicContact CD1-CD2 4.14Å; T607-L615 HydrophobicContact CG2-CD2 3.72Å; E610-L615 HydrophobicContact CB-CD1 4.45Å; E610-L615 HydrophobicContact CB-CD2 4.03Å; E610-L615 HydrophobicContact CB-CG 4.1Å; S611-L615 PolarHBondContact O-N 2.89Å; S611-L615 VanDerWaalsContact O-N 3.1Å; V612-L615 PolarHBondContact O-N 3.46Å; L615-R617 VanDerWaalsContact C-N 3.35Å; L615-R617 PolarHBondContact O-N 2.9Å; L615-L618 HydrophobicContact CD2-CD1 4.33Å; L615-L618 PolarHBondContact O-N 3.07Å; L615-L619 WeakPolarHBondContact O-CG 3.24Å; L615-L619 PolarHBondContact O-N 2.98Å
616	Q	74.9	Confident	73	Confident	96 Å²	96	76.2 Å²	76.2	45%	0.449	39%	0.393	S	S	.	.	H	α-helix	trans	-64.3	-36	173.4	-79.2	-176.5	-8.6	0	0	113.1	V612 K614 R620	V612-Q616 HydrophobicContact CG1-CG 4.36Å; V612-Q616 WeakPolarHBondContact O-CB 3.5Å; V612-Q616 WeakPolarHBondContact O-CG 3.38Å; V612-Q616 PolarHBondContact O-N 3.23Å; K614-Q616 VanDerWaalsContact C-N 3.32Å; K614-Q616 PolarHBondContact O-N 2.81Å; Q616-R620 WeakPolarHBondContact O-CB 3.28Å; Q616-R620 PolarHBondContact O-N 3.08Å; Q616-R620 VanDerWaalsContact O-N 3.17Å
617	R	74.4	Confident	73.3	Confident	137 Å²	137	76.4 Å²	76.4	52%	0.517	39%	0.386	S	S	.	.	H	α-helix	trans	-68.3	-45.4	173.3	-84.9	175	-81.5	151	-9.6	111.4	E613 K614 L615 L619 R620 D621	E613-R617 WeakPolarHBondContact O-CG 3.42Å; E613-R617 PolarHBondContact O-N 2.86Å; E613-R617 PolarHBondContact O-NE 3.18Å; K614-R617 WeakPolarHBondContact O-CB 3.47Å; K614-R617 PolarHBondContact O-N 3.27Å; K614-R617 VanDerWaalsContact O-N 3.15Å; L615-R617 VanDerWaalsContact C-N 3.35Å; L615-R617 PolarHBondContact O-N 2.9Å; R617-L619 PolarHBondContact O-N 2.73Å; R617-R620 WeakPolarHBondContact O-CA 3.22Å; R617-R620 WeakPolarHBondContact O-CB 3.19Å; R617-R620 PolarHBondContact O-N 3.35Å; R617-D621 PolarHBondContact O-N 3.02Å
618	L	73.6	Confident	73.8	Confident	33 Å²	33	76.5 Å²	76.5	17%	0.173	39%	0.387	C	S	.	.	H	α-helix	trans	-53.8	-53.1	174	-76.7	167.6	0	0	0	111	I605 K614 L615 R620 D621 L622	I605-L618 HydrophobicContact CD1-CD2 3.48Å; I605-L618 VanDerWaalsContact CD1-CD2 3.48Å; I605-L618 HydrophobicContact CG2-CD1 4.04Å; K614-L618 WeakPolarHBondContact O-CG 3.15Å; K614-L618 PolarHBondContact O-N 2.92Å; L615-L618 HydrophobicContact CD2-CD1 4.33Å; L615-L618 PolarHBondContact O-N 3.07Å; L618-R620 PolarHBondContact O-N 2.87Å; L618-R620 VanDerWaalsContact O-N 3.16Å; L618-D621 PolarHBondContact O-N 3.12Å; L618-L622 WeakPolarHBondContact O-CD1 3.39Å; L618-L622 WeakPolarHBondContact O-CG 3.37Å; L618-L622 PolarHBondContact O-N 3.38Å
619	L	69.5	Low	74.4	Confident	35 Å²	35	73.7 Å²	73.7	18%	0.183	37%	0.368	C	S	.	.	H	α-helix	trans	-61.9	-25	177.3	-68.9	172.6	0	0	0	113.9	R558 M564 I566 M568 I602 L615 R617	R558-L619 PolarHBondContact NH1-O 3.43Å; M564-L619 HydrophobicContact SD-CB 4.46Å; M564-L619 HydrophobicContact SD-CD1 4.34Å; M564-L619 HydrophobicContact SD-CD2 3.85Å; M564-L619 HydrophobicContact SD-CG 4.45Å; I566-L619 HydrophobicContact CD1-CD1 4.3Å; M568-L619 HydrophobicContact CE-CD1 4.4Å; M568-L619 HydrophobicContact SD-CD1 3.68Å; I602-L619 HydrophobicContact CD1-CD2 4.04Å; I602-L619 HydrophobicContact CD1-CG 4.16Å; I602-L619 HydrophobicContact CG2-CD2 3.79Å; L615-L619 WeakPolarHBondContact O-CG 3.24Å; L615-L619 PolarHBondContact O-N 2.98Å; R617-L619 PolarHBondContact O-N 2.73Å
620	R	64.4	Low	75.3	Confident	168 Å²	168	67.2 Å²	67.2	63%	0.634	33%	0.333	S	S	*	.	H	α-helix	trans	-80.4	-39.4	179.5	-156.9	-178.6	-60.1	-139.1	4.3	112.4	Q616 R617 L618	Q616-R620 WeakPolarHBondContact O-CB 3.28Å; Q616-R620 PolarHBondContact O-N 3.08Å; Q616-R620 VanDerWaalsContact O-N 3.17Å; R617-R620 WeakPolarHBondContact O-CA 3.22Å; R617-R620 WeakPolarHBondContact O-CB 3.19Å; R617-R620 PolarHBondContact O-N 3.35Å; L618-R620 PolarHBondContact O-N 2.87Å; L618-R620 VanDerWaalsContact O-N 3.16Å
621	D	59.3	Low	75.7	Confident	128 Å²	128	65.8 Å²	65.8	68%	0.684	33%	0.326	S	S	*	.	H	α-helix	trans	-81.7	-14.2	-174.6	-68.2	-15.1	0	0	0	113.3	R617 L618 R623	R617-D621 PolarHBondContact O-N 3.02Å; L618-D621 PolarHBondContact O-N 3.12Å; D621-R623 VanDerWaalsContact C-N 3.27Å; D621-R623 PolarHBondContact O-N 3.14Å
622	L	52.9	Low	76.2	Confident	56 Å²	56	64.2 Å²	64.2	29%	0.293	31%	0.313	S	S	.	.			trans	-79.4	57.8	-177.5	-69.9	166.9	0	0	0	113.9	I602 N603 L618 G624	I602-L622 HydrophobicContact CG2-CD1 3.65Å; N603-L622 HydrophobicContact CB-CD1 4.19Å; N603-L622 HydrophobicContact CB-CD2 4.12Å; N603-L622 WeakPolarHBondContact ND2-CD1 3.48Å; N603-L622 WeakPolarHBondContact ND2-CD2 3.23Å; N603-L622 WeakPolarHBondContact ND2-CG 3.48Å; L618-L622 WeakPolarHBondContact O-CD1 3.39Å; L618-L622 WeakPolarHBondContact O-CG 3.37Å; L618-L622 PolarHBondContact O-N 3.38Å; L622-G624 PolarHBondContact O-N 2.88Å
623	R	50.7	Low	76.7	Confident	186 Å²	186	67.9 Å²	67.9	70%	0.702	33%	0.332	S	S	*	.			trans	-68.3	108.3	159.5	-71.1	-175.7	176.2	-169.1	-3.1	107.3	D561 D621 S625	D561-R623 IonicContact OD1-CZ 3.96Å; D561-R623 IonicContact OD1-NH2 2.96Å; D561-R623 PolarHBondContact OD1-NH2 2.79Å; D561-R623 IonicContact OD2-NH2 3.25Å; D621-R623 VanDerWaalsContact C-N 3.27Å; D621-R623 PolarHBondContact O-N 3.14Å; R623-S625 PolarHBondContact O-N 2.98Å; R623-S625 VanDerWaalsContact O-N 3.16Å
624	G	52.9	Low	77.3	Confident	68 Å²	68	63.1 Å²	63.1	70%	0.701	31%	0.309	S	S	*	.			trans	-60.4	116.1	-176.5	0	0	0	0	0	111.8	L622 V626	L622-G624 PolarHBondContact O-N 2.88Å; G624-V626 PolarHBondContact O-N 3.48Å
625	S	66.6	Low	77.9	Confident	78 Å²	78	62.7 Å²	62.7	55%	0.545	31%	0.31	S	S	.	.			trans	-69.5	110.3	173.2	-60.9	0	0	0	0	109.6	R623 H658	R623-S625 PolarHBondContact O-N 2.98Å; R623-S625 VanDerWaalsContact O-N 3.16Å; S625-H658 WeakPolarHBondContact CB-NE2 3.14Å
626	V	81.9	Confident	78.3	Confident	24 Å²	24	62.9 Å²	62.9	15%	0.145	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.2	179.5	179.9	0	0	0	0	109.2	G624 V628 V659 E755	G624-V626 PolarHBondContact O-N 3.48Å; V626-V628 HydrophobicContact CG1-CG1 4.05Å; V626-V659 HydrophobicContact CB-CB 4.35Å; V626-V659 PolarHBondContact O-N 3.03Å; V626-E755 HydrophobicContact CG1-CG 4.12Å
627	Y	90.4	Very high	79.1	Confident	58 Å²	58	62.3 Å²	62.3	23%	0.227	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.9	173.7	-64	-93.2	0	0	0	109.4	I656 L657 H658 V673 V756 W944	Y627-I656 HydrophobicContact CD1-CG2 4.48Å; Y627-L657 CarbonylContact C-O 3.45Å; Y627-L657 WeakPolarHBondContact CA-O 3.43Å; Y627-H658 HydrophobicContact CD1-CB 3.75Å; Y627-H658 AromaticContact CD1-CD2 3.86Å; Y627-H658 HydrophobicContact CE1-CB 3.65Å; Y627-H658 AromaticContact CE1-CD2 3.49Å; Y627-H658 VanDerWaalsContact CE1-CD2 3.49Å; Y627-H658 WeakPolarHBondContact CE1-CD2 3.42Å; Y627-H658 AromaticContact CE1-CG 3.77Å; Y627-H658 AromaticContact CE2-CD2 3.82Å; Y627-H658 AromaticContact CZ-CD2 3.45Å; Y627-H658 VanDerWaalsContact CZ-CD2 3.45Å; Y627-V673 HydrophobicContact CD1-CG2 4.28Å; Y627-V673 HydrophobicContact CE1-CG2 4.2Å; Y627-V756 PolarHBondContact O-N 3.43Å; Y627-W944 AromaticContact CD1-CH2 3.42Å; Y627-W944 HydrophobicContact CD1-CH2 3.42Å; Y627-W944 VanDerWaalsContact CD1-CH2 3.42Å; Y627-W944 HydrophobicContact CD1-CZ2 4.4Å; Y627-W944 AromaticContact CD1-CZ3 3.87Å; Y627-W944 HydrophobicContact CD1-CZ3 3.87Å; Y627-W944 HydrophobicContact CD2-CH2 4.31Å; Y627-W944 HydrophobicContact CD2-CZ3 4.26Å; Y627-W944 AromaticContact CE1-CH2 3.86Å; Y627-W944 HydrophobicContact CE1-CH2 3.86Å; Y627-W944 AromaticContact CG-CH2 3.67Å; Y627-W944 HydrophobicContact CG-CH2 3.67Å; Y627-W944 AromaticContact CG-CZ3 3.64Å; Y627-W944 HydrophobicContact CG-CZ3 3.64Å
628	V	92.4	Very high	79.7	Confident	6 Å²	6	63.2 Å²	63.2	4%	0.036	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.6	-178.5	-59.4	0	0	0	0	111.1	V626 I656 L657 V659 Y753 E754	V626-V628 HydrophobicContact CG1-CG1 4.05Å; V628-I656 WeakPolarHBondContact O-CA 3.32Å; V628-L657 HydrophobicContact CG2-CB 3.9Å; V628-L657 PolarHBondContact N-O 3.08Å; V628-L657 PolarHBondContact O-N 2.8Å; V628-V659 HydrophobicContact CG1-CG2 4.15Å; V628-V659 HydrophobicContact CG2-CG2 3.98Å; V628-Y753 HydrophobicContact CB-CD1 4.46Å; V628-Y753 HydrophobicContact CG2-CD1 3.86Å; V628-Y753 HydrophobicContact CG2-CG 4.23Å; V628-E754 CarbonylContact C-O 3.52Å; V628-E754 VanDerWaalsContact CA-O 3.31Å; V628-E754 WeakPolarHBondContact CA-O 3.34Å
629	R	93.6	Very high	80.3	Confident	14 Å²	14	62.5 Å²	62.5	5%	0.053	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.7	171.1	-177.2	172.3	77.2	117.3	14.1	108.8	Q631 D655 I656 Y753 E754 V756 H913	R629-Q631 VanDerWaalsContact NH2-NE2 3.11Å; R629-Q631 PolarHBondContact O-N 2.89Å; R629-Q631 PolarHBondContact O-NE2 2.81Å; R629-D655 CarbonylContact C-O 3.49Å; R629-D655 WeakPolarHBondContact CA-O 3.35Å; R629-I656 HydrophobicContact CB-CD1 3.75Å; R629-I656 HydrophobicContact CG-CD1 3.89Å; R629-Y753 WeakPolarHBondContact O-CA 3.28Å; R629-E754 HydrophobicContact CB-CB 4.45Å; R629-E754 IonicContact CZ-OE2 2.7Å; R629-E754 PolarHBondContact N-O 2.84Å; R629-E754 IonicContact NE-OE2 3.49Å; R629-E754 PolarHBondContact NE-OE2 2.92Å; R629-E754 IonicContact NH2-OE2 3.37Å; R629-E754 PolarHBondContact NH2-OE2 2.89Å; R629-E754 PolarHBondContact O-N 3.25Å; R629-V756 HydrophobicContact CB-CG1 3.69Å; R629-V756 HydrophobicContact CB-CG2 4.23Å; R629-H913 PolarHBondContact NH1-O 3.26Å; R629-H913 PolarHBondContact NH2-O 3.47Å
630	A	94.2	Very high	81	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	131.3	176.8	0	0	0	0	0	110.7	F651 G654 D655 Y753	A630-F651 HydrophobicContact CB-CD2 3.44Å; A630-F651 VanDerWaalsContact CB-CD2 3.44Å; A630-F651 HydrophobicContact CB-CE2 3.63Å; A630-F651 HydrophobicContact CB-CG 4.37Å; A630-G654 PolarHBondContact O-N 3.49Å; A630-D655 PolarHBondContact N-O 2.98Å; A630-Y753 HydrophobicContact CB-CD1 4.49Å; A630-Y753 HydrophobicContact CB-CE1 4.44Å
631	Q	92.2	Very high	82.1	Confident	17 Å²	17	64 Å²	64	8%	0.079	35%	0.345	C	S	.	.	S	Bend	trans	-102.4	6.5	176.3	-57.9	-62.9	-57.5	0	0	112.3	R629 A751 T752 E754 H913	R629-Q631 VanDerWaalsContact NH2-NE2 3.11Å; R629-Q631 PolarHBondContact O-N 2.89Å; R629-Q631 PolarHBondContact O-NE2 2.81Å; Q631-A751 HydrophobicContact CB-CB 3.79Å; Q631-A751 WeakPolarHBondContact O-CB 3.37Å; Q631-T752 WeakPolarHBondContact CB-O 3.39Å; Q631-T752 PolarHBondContact N-O 2.99Å; Q631-E754 HydrophobicContact CG-CB 4.3Å; Q631-H913 HydrophobicContact CB-CB 4.07Å; Q631-H913 VanDerWaalsContact O-CB 3.27Å; Q631-H913 WeakPolarHBondContact O-CB 3.48Å; Q631-H913 PolarHBondContact OE1-O 3.42Å
632	F	91.8	Very high	83.4	Confident	18 Å²	18	58.4 Å²	58.4	8%	0.079	32%	0.315	C	S	.	.	S	Bend	trans	-148.6	163.7	179.9	65.7	-79.1	0	0	0	110.3	F651 T653 P700 Q705 A751 T752 Y753	F632-F651 HydrophobicContact CD2-CE2 4.22Å; F632-F651 HydrophobicContact CE1-CE2 4.24Å; F632-F651 HydrophobicContact CE1-CZ 4.28Å; F632-F651 AromaticContact CE2-CE2 3.86Å; F632-F651 HydrophobicContact CE2-CE2 3.86Å; F632-F651 AromaticContact CE2-CZ 3.74Å; F632-F651 HydrophobicContact CE2-CZ 3.74Å; F632-F651 AromaticContact CZ-CE2 3.87Å; F632-F651 HydrophobicContact CZ-CE2 3.87Å; F632-F651 AromaticContact CZ-CZ 3.59Å; F632-F651 HydrophobicContact CZ-CZ 3.59Å; F632-F651 WeakPolarHBondContact O-CE2 3.31Å; F632-T653 VanDerWaalsContact CA-OG1 3.28Å; F632-T653 WeakPolarHBondContact CA-OG1 3.32Å; F632-T653 PolarHBondContact O-N 3.26Å; F632-P700 HydrophobicContact CE2-CG 4.19Å; F632-P700 HydrophobicContact CZ-CG 3.96Å; F632-Q705 HydrophobicContact CD1-CG 4.05Å; F632-Q705 HydrophobicContact CD2-CG 4.32Å; F632-Q705 HydrophobicContact CE1-CB 4.41Å; F632-Q705 HydrophobicContact CE1-CG 3.65Å; F632-Q705 HydrophobicContact CE2-CG 3.92Å; F632-Q705 HydrophobicContact CG-CG 4.38Å; F632-Q705 HydrophobicContact CZ-CB 4.14Å; F632-Q705 HydrophobicContact CZ-CG 3.56Å; F632-A751 WeakPolarHBondContact CD1-O 3.15Å; F632-T752 WeakPolarHBondContact CD1-O 3.46Å; F632-T752 WeakPolarHBondContact CE1-O 3.47Å; F632-Y753 HydrophobicContact CE1-CD1 4.38Å; F632-Y753 HydrophobicContact CE1-CD2 4.46Å; F632-Y753 AromaticContact CE1-CE1 3.91Å; F632-Y753 HydrophobicContact CE1-CE1 3.91Å; F632-Y753 HydrophobicContact CE1-CE2 4.03Å; F632-Y753 AromaticContact CE1-CZ 3.73Å; F632-Y753 HydrophobicContact CZ-CE1 4.18Å; F632-Y753 HydrophobicContact CZ-CE2 4.17Å; F632-Y753 AromaticContact CZ-CZ 3.7Å; F632-Y753 WeakPolarHBondContact CZ-OH 3.48Å
633	D	92.2	Very high	84.8	Confident	109 Å²	109	60.1 Å²	60.1	58%	0.583	33%	0.329	S	S	*	.			trans	-86.8	137.5	173.8	-66.4	-10.1	0	0	0	110.3	R652 T653	D633-R652 WeakPolarHBondContact OD1-CA 3.36Å; D633-T653 PolarHBondContact N-OG1 2.74Å; D633-T653 WeakPolarHBondContact OD1-CB 3.08Å; D633-T653 PolarHBondContact OD1-N 2.91Å; D633-T653 PolarHBondContact OD1-OG1 2.88Å
634	Y	93.3	Very high	86.3	Confident	16 Å²	16	53.7 Å²	53.7	6%	0.063	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-131.1	123.3	176.7	-178	-120.7	0	0	0	111.6	P636 D639 I649 P650 F651 W667 P700	Y634-P636 HydrophobicContact CD1-CG 4.21Å; Y634-P636 HydrophobicContact CE1-CB 4.34Å; Y634-P636 HydrophobicContact CE1-CG 3.69Å; Y634-D639 HydrophobicContact CE2-CB 4.06Å; Y634-D639 WeakPolarHBondContact CE2-OD2 3.4Å; Y634-D639 VanDerWaalsContact CZ-OD2 3.29Å; Y634-D639 PolarHBondContact OH-OD2 3.1Å; Y634-I649 WeakPolarHBondContact CD1-O 3.3Å; Y634-P650 VanDerWaalsContact O-CA 3.29Å; Y634-P650 WeakPolarHBondContact O-CA 3.27Å; Y634-F651 VanDerWaalsContact CB-CE1 3.45Å; Y634-F651 VanDerWaalsContact CB-CE2 3.42Å; Y634-F651 AromaticContact CD1-CD1 3.98Å; Y634-F651 HydrophobicContact CD1-CD1 3.98Å; Y634-F651 AromaticContact CD1-CE1 3.44Å; Y634-F651 HydrophobicContact CD1-CE1 3.44Å; Y634-F651 VanDerWaalsContact CD1-CE1 3.44Å; Y634-F651 AromaticContact CD1-CZ 3.99Å; Y634-F651 HydrophobicContact CD1-CZ 3.99Å; Y634-F651 HydrophobicContact CG-CD1 4.42Å; Y634-F651 AromaticContact CG-CE1 3.76Å; Y634-F651 HydrophobicContact CG-CE1 3.76Å; Y634-F651 AromaticContact CG-CZ 3.81Å; Y634-F651 HydrophobicContact CG-CZ 3.81Å; Y634-F651 PolarHBondContact N-O 2.82Å; Y634-F651 PolarHBondContact O-N 3.37Å; Y634-W667 WeakPolarHBondContact OH-CZ3 3.37Å; Y634-P700 HydrophobicContact CD2-CG 4.18Å; Y634-P700 HydrophobicContact CE2-CG 4.24Å; Y634-P700 HydrophobicContact CG-CG 4.35Å
635	D	93	Very high	87.9	Confident	68 Å²	68	53.6 Å²	53.6	36%	0.364	30%	0.299	S	S	.	.			trans	-120.8	107.1	172.8	-173.5	-11.3	0	0	0	109.6	S637 H638	D635-S637 PolarHBondContact O-N 3.27Å; D635-S637 VanDerWaalsContact O-N 3.12Å; D635-S637 VanDerWaalsContact OD1-CB 3.31Å; D635-S637 WeakPolarHBondContact OD1-CB 3.45Å; D635-S637 PolarHBondContact OD1-N 2.97Å; D635-S637 PolarHBondContact OD1-OG 2.68Å; D635-S637 PolarHBondContact OD2-OG 3.18Å; D635-S637 VanDerWaalsContact OD2-OG 3.09Å; D635-H638 PolarHBondContact O-N 2.99Å; D635-H638 VanDerWaalsContact O-N 3.15Å; D635-H638 IonicContact OD2-CE1 3.49Å; D635-H638 PolarHBondContact OD2-CE1 3.39Å; D635-H638 VanDerWaalsContact OD2-CE1 3.23Å; D635-H638 IonicContact OD2-ND1 3.5Å; D635-H638 PolarHBondContact OD2-ND1 2.85Å
636	P	90.9	Very high	88.7	Confident	6 Å²	6	57.7 Å²	57.7	4%	0.039	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-56.6	-24.3	177.1	-22.6	30.1	0	0	0	114.2	Y634 H638 D639 I642 G648	Y634-P636 HydrophobicContact CD1-CG 4.21Å; Y634-P636 HydrophobicContact CE1-CB 4.34Å; Y634-P636 HydrophobicContact CE1-CG 3.69Å; P636-H638 VanDerWaalsContact C-N 3.26Å; P636-H638 PolarHBondContact O-N 3.13Å; P636-D639 PolarHBondContact O-N 3.48Å; P636-I642 HydrophobicContact CB-CD1 3.98Å; P636-G648 VanDerWaalsContact CG-C 3.49Å
637	S	90.1	Very high	88.9	Confident	84 Å²	84	58.5 Å²	58.5	59%	0.587	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-72.5	-21.2	-178.7	72.1	0	0	0	0	113.4	D635	D635-S637 PolarHBondContact O-N 3.27Å; D635-S637 VanDerWaalsContact O-N 3.12Å; D635-S637 VanDerWaalsContact OD1-CB 3.31Å; D635-S637 WeakPolarHBondContact OD1-CB 3.45Å; D635-S637 PolarHBondContact OD1-N 2.97Å; D635-S637 PolarHBondContact OD1-OG 2.68Å; D635-S637 PolarHBondContact OD2-OG 3.18Å; D635-S637 VanDerWaalsContact OD2-OG 3.09Å
638	H	87.7	Confident	88.7	Confident	156 Å²	156	56.3 Å²	56.3	72%	0.722	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-101.2	7.3	178.3	-63.3	128.6	0	0	0	113.1	D635 P636	D635-H638 PolarHBondContact O-N 2.99Å; D635-H638 VanDerWaalsContact O-N 3.15Å; D635-H638 IonicContact OD2-CE1 3.49Å; D635-H638 PolarHBondContact OD2-CE1 3.39Å; D635-H638 VanDerWaalsContact OD2-CE1 3.23Å; D635-H638 IonicContact OD2-ND1 3.5Å; D635-H638 PolarHBondContact OD2-ND1 2.85Å; P636-H638 VanDerWaalsContact C-N 3.26Å; P636-H638 PolarHBondContact O-N 3.13Å
639	D	85.5	Confident	88.6	Confident	18 Å²	18	57.1 Å²	57.1	10%	0.096	32%	0.318	C	S	.	.			trans	-107.8	97.4	-171.7	-171.7	-5.2	0	0	0	112.5	Y634 P636 L641 I642 W667 R708	Y634-D639 HydrophobicContact CE2-CB 4.06Å; Y634-D639 WeakPolarHBondContact CE2-OD2 3.4Å; Y634-D639 VanDerWaalsContact CZ-OD2 3.29Å; Y634-D639 PolarHBondContact OH-OD2 3.1Å; P636-D639 PolarHBondContact O-N 3.48Å; D639-L641 PolarHBondContact O-N 2.99Å; D639-L641 WeakPolarHBondContact OD1-CB 3.31Å; D639-L641 PolarHBondContact OD1-N 3.15Å; D639-I642 HydrophobicContact CB-CB 4.47Å; D639-I642 HydrophobicContact CB-CG2 4.39Å; D639-I642 VanDerWaalsContact O-CG2 3.27Å; D639-I642 WeakPolarHBondContact O-CG2 3.27Å; D639-I642 PolarHBondContact O-N 3.39Å; D639-W667 VanDerWaalsContact OD2-CH2 3.27Å; D639-W667 WeakPolarHBondContact OD2-CH2 3.34Å; D639-R708 IonicContact OD1-CZ 3.95Å; D639-R708 IonicContact OD1-NH2 3.14Å; D639-R708 PolarHBondContact OD1-NH2 2.9Å; D639-R708 IonicContact OD2-CZ 3.08Å; D639-R708 IonicContact OD2-NH1 3.3Å; D639-R708 PolarHBondContact OD2-NH1 3.48Å; D639-R708 IonicContact OD2-NH2 2.65Å; D639-R708 PolarHBondContact OD2-NH2 2.68Å
640	D	85.2	Confident	88.6	Confident	166 Å²	166	60.3 Å²	60.3	89%	0.888	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.2	179.2	-71.1	-19.8	0	0	0	114.2
641	L	87.1	Confident	88.5	Confident	67 Å²	67	60.6 Å²	60.6	35%	0.351	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-15.2	-177	-60.7	175	0	0	0	113.2	D639 W667 L704 W707	D639-L641 PolarHBondContact O-N 2.99Å; D639-L641 WeakPolarHBondContact OD1-CB 3.31Å; D639-L641 PolarHBondContact OD1-N 3.15Å; L641-W667 VanDerWaalsContact C-CZ2 3.47Å; L641-W667 HydrophobicContact CB-CZ2 4.12Å; L641-W667 VanDerWaalsContact O-CZ2 3.27Å; L641-W667 WeakPolarHBondContact O-CZ2 3.49Å; L641-L704 HydrophobicContact CD1-CD1 4.46Å; L641-W707 HydrophobicContact CD1-CE3 4.33Å; L641-W707 HydrophobicContact CD1-CH2 4.05Å; L641-W707 HydrophobicContact CD1-CZ3 3.45Å; L641-W707 VanDerWaalsContact CD1-CZ3 3.45Å
642	I	87.4	Confident	88.6	Confident	12 Å²	12	68.6 Å²	68.6	6%	0.062	37%	0.371	C	S	.	.			trans	-67.9	131	-177.9	-163.8	176.7	0	0	0	110.3	P636 D639 C644 P645 G648 W667 L698	P636-I642 HydrophobicContact CB-CD1 3.98Å; D639-I642 HydrophobicContact CB-CB 4.47Å; D639-I642 HydrophobicContact CB-CG2 4.39Å; D639-I642 VanDerWaalsContact O-CG2 3.27Å; D639-I642 WeakPolarHBondContact O-CG2 3.27Å; D639-I642 PolarHBondContact O-N 3.39Å; I642-C644 PolarHBondContact O-N 2.85Å; I642-P645 HydrophobicContact CG2-CB 4.07Å; I642-P645 HydrophobicContact CG2-CG 3.69Å; I642-G648 VanDerWaalsContact CD1-CA 3.45Å; I642-W667 VanDerWaalsContact CA-CH2 3.47Å; I642-W667 HydrophobicContact CB-CH2 3.55Å; I642-W667 HydrophobicContact CB-CZ2 4.02Å; I642-W667 HydrophobicContact CB-CZ3 4.07Å; I642-W667 HydrophobicContact CD1-CZ3 4.2Å; I642-W667 HydrophobicContact CG1-CE3 4.25Å; I642-W667 HydrophobicContact CG1-CH2 3.76Å; I642-W667 HydrophobicContact CG1-CZ2 4.29Å; I642-W667 HydrophobicContact CG1-CZ3 3.77Å; I642-L698 HydrophobicContact CD1-CB 4.32Å
643	P	82.4	Confident	88.6	Confident	91 Å²	91	69.4 Å²	69.4	59%	0.591	38%	0.378	S	S	*	.	S	Bend	trans	-60.2	-32.9	-179.4	-26.2	33.8	0	0	0	113.4	W667 L698	P643-W667 HydrophobicContact CG-CG 4.44Å; P643-L698 HydrophobicContact CG-CD1 4.47Å
644	C	82.5	Confident	88.5	Confident	51 Å²	51	64.3 Å²	64.3	35%	0.345	35%	0.351	S	S	.	.			trans	-150.5	102.1	-178.3	-178.3	0	0	0	0	108.6	I642 Q646 A647 G648	I642-C644 PolarHBondContact O-N 2.85Å; C644-Q646 PolarHBondContact O-N 3.3Å; C644-Q646 VanDerWaalsContact O-N 3.15Å; C644-Q646 PolarHBondContact SG-OE1 3Å; C644-A647 HydrophobicContact CB-CB 3.97Å; C644-A647 WeakPolarHBondContact O-CB 3.4Å; C644-A647 PolarHBondContact O-N 3.42Å; C644-G648 PolarHBondContact O-N 3.36Å
645	P	86	Confident	88.5	Confident	66 Å²	66	64 Å²	64	43%	0.429	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-54.9	-32.8	-179.7	-27.6	34.4	0	0	0	113.1	I642 A647 G648	I642-P645 HydrophobicContact CG2-CB 4.07Å; I642-P645 HydrophobicContact CG2-CG 3.69Å; P645-A647 PolarHBondContact O-N 3.15Å; P645-G648 PolarHBondContact O-N 2.83Å; P645-G648 VanDerWaalsContact O-N 3.16Å
646	Q	83.5	Confident	88.5	Confident	165 Å²	165	60.8 Å²	60.8	77%	0.771	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-68.8	-20.4	177.8	-58.2	84.3	-6.7	0	0	113.4	C644	C644-Q646 PolarHBondContact O-N 3.3Å; C644-Q646 VanDerWaalsContact O-N 3.15Å; C644-Q646 PolarHBondContact SG-OE1 3Å
647	A	85.9	Confident	88.6	Confident	40 Å²	40	60.5 Å²	60.5	33%	0.331	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-91.6	-9.5	175.5	0	0	0	0	0	112.5	C644 P645 G697 L698	C644-A647 HydrophobicContact CB-CB 3.97Å; C644-A647 WeakPolarHBondContact O-CB 3.4Å; C644-A647 PolarHBondContact O-N 3.42Å; P645-A647 PolarHBondContact O-N 3.15Å; A647-G697 CarbonylContact O-C 3.56Å; A647-G697 WeakPolarHBondContact O-CA 3.27Å; A647-L698 HydrophobicContact CB-CD1 4.21Å; A647-L698 HydrophobicContact CB-CG 4.3Å; A647-L698 PolarHBondContact O-N 2.79Å
648	G	86.7	Confident	88.7	Confident	13 Å²	13	57.5 Å²	57.5	13%	0.134	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-74.9	144.5	179.7	0	0	0	0	0	112.4	P636 I642 C644 P645 L698	P636-G648 VanDerWaalsContact CG-C 3.49Å; I642-G648 VanDerWaalsContact CD1-CA 3.45Å; C644-G648 PolarHBondContact O-N 3.36Å; P645-G648 PolarHBondContact O-N 2.83Å; P645-G648 VanDerWaalsContact O-N 3.16Å; G648-L698 WeakPolarHBondContact CA-O 3.24Å
649	I	89.1	Confident	88.7	Confident	22 Å²	22	50.4 Å²	50.4	11%	0.113	28%	0.276	C	S	.	.			trans	-100	114.9	172.7	-67.7	168.9	0	0	0	108.5	Y634 F651 A670 H672 G697 L698 I699	Y634-I649 WeakPolarHBondContact CD1-O 3.3Å; I649-F651 WeakPolarHBondContact O-CD1 3.22Å; I649-A670 WeakPolarHBondContact CD1-O 3.5Å; I649-H672 HydrophobicContact CG2-CB 4.16Å; I649-G697 VanDerWaalsContact CD1-N 3.31Å; I649-L698 PolarHBondContact N-O 3.1Å; I649-I699 HydrophobicContact CB-CG2 4.18Å
650	P	93.4	Very high	88.6	Confident	81 Å²	81	53.7 Å²	53.7	53%	0.526	29%	0.292	S	S	.	.			trans	-68.6	140.3	169.6	29.3	-32.6	0	0	0	110.1	Y634	Y634-P650 VanDerWaalsContact O-CA 3.29Å; Y634-P650 WeakPolarHBondContact O-CA 3.27Å
651	F	93.7	Very high	88.4	Confident	7 Å²	7	46.5 Å²	46.5	3%	0.031	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-146.7	156.5	174.3	58.3	-101.2	0	0	0	110.7	A630 F632 Y634 I649 D655 L657 I699 Y753	A630-F651 HydrophobicContact CB-CD2 3.44Å; A630-F651 VanDerWaalsContact CB-CD2 3.44Å; A630-F651 HydrophobicContact CB-CE2 3.63Å; A630-F651 HydrophobicContact CB-CG 4.37Å; F632-F651 HydrophobicContact CD2-CE2 4.22Å; F632-F651 HydrophobicContact CE1-CE2 4.24Å; F632-F651 HydrophobicContact CE1-CZ 4.28Å; F632-F651 AromaticContact CE2-CE2 3.86Å; F632-F651 HydrophobicContact CE2-CE2 3.86Å; F632-F651 AromaticContact CE2-CZ 3.74Å; F632-F651 HydrophobicContact CE2-CZ 3.74Å; F632-F651 AromaticContact CZ-CE2 3.87Å; F632-F651 HydrophobicContact CZ-CE2 3.87Å; F632-F651 AromaticContact CZ-CZ 3.59Å; F632-F651 HydrophobicContact CZ-CZ 3.59Å; F632-F651 WeakPolarHBondContact O-CE2 3.31Å; Y634-F651 VanDerWaalsContact CB-CE1 3.45Å; Y634-F651 VanDerWaalsContact CB-CE2 3.42Å; Y634-F651 AromaticContact CD1-CD1 3.98Å; Y634-F651 HydrophobicContact CD1-CD1 3.98Å; Y634-F651 AromaticContact CD1-CE1 3.44Å; Y634-F651 HydrophobicContact CD1-CE1 3.44Å; Y634-F651 VanDerWaalsContact CD1-CE1 3.44Å; Y634-F651 AromaticContact CD1-CZ 3.99Å; Y634-F651 HydrophobicContact CD1-CZ 3.99Å; Y634-F651 HydrophobicContact CG-CD1 4.42Å; Y634-F651 AromaticContact CG-CE1 3.76Å; Y634-F651 HydrophobicContact CG-CE1 3.76Å; Y634-F651 AromaticContact CG-CZ 3.81Å; Y634-F651 HydrophobicContact CG-CZ 3.81Å; Y634-F651 PolarHBondContact N-O 2.82Å; Y634-F651 PolarHBondContact O-N 3.37Å; I649-F651 WeakPolarHBondContact O-CD1 3.22Å; F651-D655 HydrophobicContact CB-CB 4.24Å; F651-L657 HydrophobicContact CB-CD2 4.17Å; F651-L657 HydrophobicContact CD1-CD1 3.71Å; F651-L657 HydrophobicContact CD1-CD2 4.41Å; F651-L657 HydrophobicContact CD2-CD1 4.48Å; F651-L657 HydrophobicContact CE1-CD1 3.91Å; F651-L657 HydrophobicContact CG-CD1 4.03Å; F651-L657 HydrophobicContact CG-CD2 4.46Å; F651-L657 HydrophobicContact CZ-CD1 4.39Å; F651-I699 HydrophobicContact CD1-CG2 4.06Å; F651-I699 HydrophobicContact CE1-CB 3.99Å; F651-I699 HydrophobicContact CE1-CG2 3.75Å; F651-Y753 HydrophobicContact CE1-CE1 4.45Å; F651-Y753 HydrophobicContact CE2-CE1 4.2Å; F651-Y753 AromaticContact CZ-CE1 3.83Å; F651-Y753 HydrophobicContact CZ-CE1 3.83Å; F651-Y753 AromaticContact CZ-CZ 3.94Å; F651-Y753 WeakPolarHBondContact CZ-OH 3.48Å
652	R	92.8	Very high	88.3	Confident	185 Å²	185	46.5 Å²	46.5	70%	0.698	25%	0.253	S	S	*	.			trans	-107.4	160.2	174.4	-63.4	-173.1	-179.9	-158.9	-1.2	111	D633 G654 D655	D633-R652 WeakPolarHBondContact OD1-CA 3.36Å; R652-G654 PolarHBondContact O-N 2.92Å; R652-D655 PolarHBondContact N-OD2 3.05Å; R652-D655 VanDerWaalsContact O-CB 3.24Å; R652-D655 WeakPolarHBondContact O-CB 3.47Å; R652-D655 PolarHBondContact O-N 3.42Å
653	T	92.1	Very high	87.7	Confident	35 Å²	35	52.3 Å²	52.3	22%	0.215	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	124.7	171.9	-58.1	0	0	0	0	109.5	F632 D633 H913	F632-T653 VanDerWaalsContact CA-OG1 3.28Å; F632-T653 WeakPolarHBondContact CA-OG1 3.32Å; F632-T653 PolarHBondContact O-N 3.26Å; D633-T653 PolarHBondContact N-OG1 2.74Å; D633-T653 WeakPolarHBondContact OD1-CB 3.08Å; D633-T653 PolarHBondContact OD1-N 2.91Å; D633-T653 PolarHBondContact OD1-OG1 2.88Å; T653-H913 VanDerWaalsContact CG2-CA 3.42Å; T653-H913 HydrophobicContact CG2-CB 3.71Å
654	G	91.2	Very high	87.5	Confident	2 Å²	2	51.6 Å²	51.6	2%	0.021	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-12.4	-177.7	0	0	0	0	0	115.5	A630 R652 S678	A630-G654 PolarHBondContact O-N 3.49Å; R652-G654 PolarHBondContact O-N 2.92Å; G654-S678 PolarHBondContact O-OG 3.29Å
655	D	93.5	Very high	87.5	Confident	10 Å²	10	56 Å²	56	5%	0.053	29%	0.285	C	S	.	.			trans	-64.9	149.3	175.7	-73.8	-2.5	0	0	0	111.6	R629 A630 F651 R652 H672 A674 S675 F676	R629-D655 CarbonylContact C-O 3.49Å; R629-D655 WeakPolarHBondContact CA-O 3.35Å; A630-D655 PolarHBondContact N-O 2.98Å; F651-D655 HydrophobicContact CB-CB 4.24Å; R652-D655 PolarHBondContact N-OD2 3.05Å; R652-D655 VanDerWaalsContact O-CB 3.24Å; R652-D655 WeakPolarHBondContact O-CB 3.47Å; R652-D655 PolarHBondContact O-N 3.42Å; D655-H672 IonicContact OD2-CD2 2.89Å; D655-H672 IonicContact OD2-NE2 3Å; D655-H672 PolarHBondContact OD2-NE2 3.49Å; D655-A674 WeakPolarHBondContact CA-O 3.27Å; D655-S675 WeakPolarHBondContact OD1-CA 2.97Å; D655-F676 PolarHBondContact OD1-N 3.45Å
656	I	93.1	Very high	87.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.5	177.5	-51.1	-53.3	0	0	0	110.3	Y627 V628 R629 V673 A674 S678 V756 W944	Y627-I656 HydrophobicContact CD1-CG2 4.48Å; V628-I656 WeakPolarHBondContact O-CA 3.32Å; R629-I656 HydrophobicContact CB-CD1 3.75Å; R629-I656 HydrophobicContact CG-CD1 3.89Å; I656-V673 HydrophobicContact CB-CB 4.32Å; I656-V673 HydrophobicContact CG2-CB 4.18Å; I656-V673 HydrophobicContact CG2-CG1 4.49Å; I656-V673 WeakPolarHBondContact O-CB 3.44Å; I656-V673 PolarHBondContact O-N 3.24Å; I656-A674 HydrophobicContact CB-CB 4.17Å; I656-A674 HydrophobicContact CG1-CB 4.2Å; I656-A674 PolarHBondContact N-O 2.88Å; I656-A674 PolarHBondContact O-N 3.4Å; I656-S678 WeakPolarHBondContact CG1-OG 3.33Å; I656-V756 HydrophobicContact CD1-CG2 4.11Å; I656-V756 HydrophobicContact CG2-CG2 4.42Å; I656-W944 HydrophobicContact CD1-CB 4.08Å; I656-W944 HydrophobicContact CD1-CD2 4.38Å; I656-W944 HydrophobicContact CD1-CG 4.03Å; I656-W944 HydrophobicContact CG1-CB 4.41Å; I656-W944 HydrophobicContact CG1-CD2 4.05Å; I656-W944 HydrophobicContact CG1-CG 3.85Å; I656-W944 HydrophobicContact CG2-CD2 4Å; I656-W944 HydrophobicContact CG2-CE3 4.1Å; I656-W944 HydrophobicContact CG2-CH2 4.03Å; I656-W944 HydrophobicContact CG2-CZ2 3.91Å; I656-W944 HydrophobicContact CG2-CZ3 4.12Å
657	L	92.2	Very high	87.8	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140	178.7	-51.4	176.3	0	0	0	109.4	Y627 V628 F651 A670 R671 H672 I699 Y753	Y627-L657 CarbonylContact C-O 3.45Å; Y627-L657 WeakPolarHBondContact CA-O 3.43Å; V628-L657 HydrophobicContact CG2-CB 3.9Å; V628-L657 PolarHBondContact N-O 3.08Å; V628-L657 PolarHBondContact O-N 2.8Å; F651-L657 HydrophobicContact CB-CD2 4.17Å; F651-L657 HydrophobicContact CD1-CD1 3.71Å; F651-L657 HydrophobicContact CD1-CD2 4.41Å; F651-L657 HydrophobicContact CD2-CD1 4.48Å; F651-L657 HydrophobicContact CE1-CD1 3.91Å; F651-L657 HydrophobicContact CG-CD1 4.03Å; F651-L657 HydrophobicContact CG-CD2 4.46Å; F651-L657 HydrophobicContact CZ-CD1 4.39Å; L657-A670 HydrophobicContact CB-CB 4.44Å; L657-R671 WeakPolarHBondContact CA-O 3.35Å; L657-H672 HydrophobicContact CD2-CB 4.33Å; L657-I699 HydrophobicContact CD1-CD1 3.88Å; L657-I699 HydrophobicContact CD1-CG2 4.36Å; L657-Y753 HydrophobicContact CD1-CE1 3.88Å
658	H	91.4	Very high	88.1	Confident	20 Å²	20	48.5 Å²	48.5	9%	0.093	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.4	170.9	172.4	-114.8	0	0	0	109	S625 Y627 I660 A670 R671 V673	S625-H658 WeakPolarHBondContact CB-NE2 3.14Å; Y627-H658 HydrophobicContact CD1-CB 3.75Å; Y627-H658 AromaticContact CD1-CD2 3.86Å; Y627-H658 HydrophobicContact CE1-CB 3.65Å; Y627-H658 AromaticContact CE1-CD2 3.49Å; Y627-H658 VanDerWaalsContact CE1-CD2 3.49Å; Y627-H658 WeakPolarHBondContact CE1-CD2 3.42Å; Y627-H658 AromaticContact CE1-CG 3.77Å; Y627-H658 AromaticContact CE2-CD2 3.82Å; Y627-H658 AromaticContact CZ-CD2 3.45Å; Y627-H658 VanDerWaalsContact CZ-CD2 3.45Å; H658-I660 PolarHBondContact O-N 3.18Å; H658-A670 CarbonylContact O-C 3.49Å; H658-A670 WeakPolarHBondContact O-CA 3.45Å; H658-A670 WeakPolarHBondContact O-CB 3.33Å; H658-R671 HydrophobicContact CB-CG 3.68Å; H658-R671 PolarHBondContact N-O 2.91Å; H658-R671 PolarHBondContact ND1-NE 3.1Å; H658-R671 PolarHBondContact ND1-NH2 3.42Å; H658-R671 PolarHBondContact O-N 3.41Å; H658-V673 HydrophobicContact CB-CG2 3.49Å; H658-V673 VanDerWaalsContact CB-CG2 3.49Å
659	V	88.9	Confident	88.1	Confident	8 Å²	8	51.9 Å²	51.9	5%	0.048	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	116.2	-179	-175.1	0	0	0	0	108.7	V626 V628 K662 W668	V626-V659 HydrophobicContact CB-CB 4.35Å; V626-V659 PolarHBondContact O-N 3.03Å; V628-V659 HydrophobicContact CG1-CG2 4.15Å; V628-V659 HydrophobicContact CG2-CG2 3.98Å; V659-K662 HydrophobicContact CG1-CD 4.33Å; V659-K662 HydrophobicContact CG1-CG 3.62Å; V659-W668 HydrophobicContact CG1-CB 4.48Å; V659-W668 HydrophobicContact CG1-CD2 4.32Å; V659-W668 HydrophobicContact CG1-CE3 3.81Å; V659-W668 HydrophobicContact CG1-CZ3 4.42Å; V659-W668 HydrophobicContact CG2-CE3 3.96Å; V659-W668 HydrophobicContact CG2-CZ3 4.21Å
660	I	83.7	Confident	88.2	Confident	86 Å²	86	50.9 Å²	50.9	44%	0.441	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-43.2	-176.6	-64.2	168.7	0	0	0	110.4	H658 Q669 R671 A696	H658-I660 PolarHBondContact O-N 3.18Å; I660-Q669 WeakPolarHBondContact CA-O 3.33Å; I660-Q669 PolarHBondContact N-O 3.35Å; I660-R671 HydrophobicContact CD1-CB 4.06Å; I660-R671 HydrophobicContact CD1-CG 4.12Å; I660-A696 HydrophobicContact CD1-CB 3.5Å
661	S	80.1	Confident	88	Confident	16 Å²	16	51.4 Å²	51.4	11%	0.112	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	143.1	177.3	166.1	0	0	0	0	110.8	D663 Q669	S661-D663 WeakPolarHBondContact OG-CB 3.45Å; S661-D663 PolarHBondContact OG-N 3.35Å; S661-D663 VanDerWaalsContact OG-N 3.1Å; S661-D663 PolarHBondContact OG-OD2 3.2Å; S661-Q669 PolarHBondContact N-O 3.49Å; S661-Q669 VanDerWaalsContact N-O 3.11Å; S661-Q669 PolarHBondContact O-N 2.95Å
662	K	84.1	Confident	87.8	Confident	67 Å²	67	53.7 Å²	53.7	29%	0.291	25%	0.247	S	C	.	.			trans	-115.8	17.5	175	-55.8	178.9	-177.9	-178.4	0	111	V659 D664 W668	V659-K662 HydrophobicContact CG1-CD 4.33Å; V659-K662 HydrophobicContact CG1-CG 3.62Å; K662-D664 VanDerWaalsContact C-N 3.31Å; K662-D664 PolarHBondContact O-N 3.32Å; K662-W668 HydrophobicContact CB-CD2 4.48Å; K662-W668 HydrophobicContact CD-CH2 4.15Å; K662-W668 HydrophobicContact CD-CZ2 4.04Å; K662-W668 HydrophobicContact CD-CZ3 4.48Å; K662-W668 HydrophobicContact CG-CD2 3.99Å; K662-W668 HydrophobicContact CG-CE3 4.35Å; K662-W668 HydrophobicContact CG-CG 4.36Å; K662-W668 HydrophobicContact CG-CZ2 4.24Å
663	D	76.5	Confident	87.6	Confident	134 Å²	134	45.5 Å²	45.5	72%	0.717	22%	0.218	S	C	*	.			trans	-67.2	-33	-169.1	-62.4	-32.5	0	0	0	112.3	S661	S661-D663 WeakPolarHBondContact OG-CB 3.45Å; S661-D663 PolarHBondContact OG-N 3.35Å; S661-D663 VanDerWaalsContact OG-N 3.1Å; S661-D663 PolarHBondContact OG-OD2 3.2Å
664	D	78.3	Confident	87.3	Confident	75 Å²	75	44 Å²	44	40%	0.401	21%	0.209	S	C	.	.	S	Bend	trans	-89.4	125.4	170.5	-176.7	-39.2	0	0	0	109.6	K662 N666 W667	K662-D664 VanDerWaalsContact C-N 3.31Å; K662-D664 PolarHBondContact O-N 3.32Å; D664-N666 VanDerWaalsContact C-N 3.26Å; D664-N666 PolarHBondContact O-N 3.05Å; D664-N666 PolarHBondContact OD1-N 3.11Å; D664-W667 HydrophobicContact CB-CB 4.46Å; D664-W667 WeakPolarHBondContact CB-O 3.49Å; D664-W667 PolarHBondContact OD1-N 3.22Å; D664-W667 VanDerWaalsContact OD1-N 3.08Å
665	Y	81.3	Confident	87.3	Confident	144 Å²	144	47 Å²	47	57%	0.565	23%	0.229	S	C	*	.	S	Bend	trans	-61.7	-29.9	-177.4	-177.9	-100.4	0	0	0	113.8	S701 E703	Y665-S701 WeakPolarHBondContact O-CB 3.41Å; Y665-S701 PolarHBondContact O-OG 2.99Å; Y665-E703 HydrophobicContact CE1-CB 4.22Å; Y665-E703 HydrophobicContact CE2-CB 4.46Å; Y665-E703 HydrophobicContact CE2-CG 4.07Å
666	N	85.9	Confident	87.1	Confident	68 Å²	68	49.1 Å²	49.1	36%	0.364	24%	0.238	S	C	.	.	S	Bend	trans	-100.6	-29.3	-177.7	-61.8	-54.8	0	0	0	112.2	D664 S701 L704	D664-N666 VanDerWaalsContact C-N 3.26Å; D664-N666 PolarHBondContact O-N 3.05Å; D664-N666 PolarHBondContact OD1-N 3.11Å; N666-S701 WeakPolarHBondContact CA-OG 3.43Å; N666-S701 PolarHBondContact O-N 2.94Å; N666-S701 PolarHBondContact O-OG 2.92Å; N666-L704 HydrophobicContact CB-CD2 4.21Å; N666-L704 WeakPolarHBondContact O-CD2 3.33Å
667	W	90	Very high	86.7	Confident	17 Å²	17	50.9 Å²	50.9	6%	0.064	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	99.6	-170.3	-63.7	105.1	0	0	0	112.1	Y634 D639 L641 I642 P643 D664 L698 I699 P700 L704 R708	Y634-W667 WeakPolarHBondContact OH-CZ3 3.37Å; D639-W667 VanDerWaalsContact OD2-CH2 3.27Å; D639-W667 WeakPolarHBondContact OD2-CH2 3.34Å; L641-W667 VanDerWaalsContact C-CZ2 3.47Å; L641-W667 HydrophobicContact CB-CZ2 4.12Å; L641-W667 VanDerWaalsContact O-CZ2 3.27Å; L641-W667 WeakPolarHBondContact O-CZ2 3.49Å; I642-W667 VanDerWaalsContact CA-CH2 3.47Å; I642-W667 HydrophobicContact CB-CH2 3.55Å; I642-W667 HydrophobicContact CB-CZ2 4.02Å; I642-W667 HydrophobicContact CB-CZ3 4.07Å; I642-W667 HydrophobicContact CD1-CZ3 4.2Å; I642-W667 HydrophobicContact CG1-CE3 4.25Å; I642-W667 HydrophobicContact CG1-CH2 3.76Å; I642-W667 HydrophobicContact CG1-CZ2 4.29Å; I642-W667 HydrophobicContact CG1-CZ3 3.77Å; P643-W667 HydrophobicContact CG-CG 4.44Å; D664-W667 HydrophobicContact CB-CB 4.46Å; D664-W667 WeakPolarHBondContact CB-O 3.49Å; D664-W667 PolarHBondContact OD1-N 3.22Å; D664-W667 VanDerWaalsContact OD1-N 3.08Å; W667-L698 HydrophobicContact CB-CD2 4.24Å; W667-L698 HydrophobicContact CE3-CB 4.2Å; W667-I699 CarbonylContact C-O 3.49Å; W667-I699 WeakPolarHBondContact CA-O 3.33Å; W667-P700 HydrophobicContact CZ3-CB 4.28Å; W667-L704 HydrophobicContact CD2-CD2 4.17Å; W667-L704 HydrophobicContact CE3-CD2 4.39Å; W667-L704 HydrophobicContact CH2-CD2 3.85Å; W667-L704 HydrophobicContact CZ2-CD2 3.5Å; W667-L704 HydrophobicContact CZ3-CD2 4.26Å; W667-R708 VanDerWaalsContact CH2-NH2 3.28Å
668	W	91.4	Very high	85.6	Confident	28 Å²	28	51.5 Å²	51.5	11%	0.106	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	145.9	174.6	-67.8	3.8	0	0	0	110.5	V659 K662 L698 I699 P702	V659-W668 HydrophobicContact CG1-CB 4.48Å; V659-W668 HydrophobicContact CG1-CD2 4.32Å; V659-W668 HydrophobicContact CG1-CE3 3.81Å; V659-W668 HydrophobicContact CG1-CZ3 4.42Å; V659-W668 HydrophobicContact CG2-CE3 3.96Å; V659-W668 HydrophobicContact CG2-CZ3 4.21Å; K662-W668 HydrophobicContact CB-CD2 4.48Å; K662-W668 HydrophobicContact CD-CH2 4.15Å; K662-W668 HydrophobicContact CD-CZ2 4.04Å; K662-W668 HydrophobicContact CD-CZ3 4.48Å; K662-W668 HydrophobicContact CG-CD2 3.99Å; K662-W668 HydrophobicContact CG-CE3 4.35Å; K662-W668 HydrophobicContact CG-CG 4.36Å; K662-W668 HydrophobicContact CG-CZ2 4.24Å; W668-L698 WeakPolarHBondContact O-CA 3.41Å; W668-I699 HydrophobicContact CB-CD1 4.36Å; W668-I699 HydrophobicContact CB-CG1 3.88Å; W668-I699 PolarHBondContact N-O 2.79Å; W668-I699 PolarHBondContact O-N 3.07Å; W668-P702 HydrophobicContact CH2-CG 3.34Å; W668-P702 HydrophobicContact CZ2-CG 3.67Å; W668-P702 HydrophobicContact CZ3-CG 3.87Å
669	Q	88.4	Confident	84.8	Confident	85 Å²	85	51.6 Å²	51.6	40%	0.397	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.5	169	-63.1	-179.4	13.4	0	0	108.2	I660 S661 A696 G697 L698	I660-Q669 WeakPolarHBondContact CA-O 3.33Å; I660-Q669 PolarHBondContact N-O 3.35Å; S661-Q669 PolarHBondContact N-O 3.49Å; S661-Q669 VanDerWaalsContact N-O 3.11Å; S661-Q669 PolarHBondContact O-N 2.95Å; Q669-A696 HydrophobicContact CB-CB 4.42Å; Q669-G697 WeakPolarHBondContact CA-O 3.36Å; Q669-L698 HydrophobicContact CG-CD2 4.14Å
670	A	90.3	Very high	83.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	170.7	178	0	0	0	0	0	110.9	I649 L657 H658 A696 G697 I699	I649-A670 WeakPolarHBondContact CD1-O 3.5Å; L657-A670 HydrophobicContact CB-CB 4.44Å; H658-A670 CarbonylContact O-C 3.49Å; H658-A670 WeakPolarHBondContact O-CA 3.45Å; H658-A670 WeakPolarHBondContact O-CB 3.33Å; A670-A696 WeakPolarHBondContact O-CA 3.31Å; A670-G697 PolarHBondContact N-O 3.3Å; A670-G697 PolarHBondContact O-N 2.9Å; A670-I699 HydrophobicContact CB-CD1 3.47Å; A670-I699 VanDerWaalsContact CB-CD1 3.47Å; A670-I699 HydrophobicContact CB-CG1 3.89Å; A670-I699 HydrophobicContact CB-CG2 4.26Å
671	R	88.5	Confident	82.2	Confident	92 Å²	92	53 Å²	53	35%	0.347	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144	165.5	62.7	177.5	-176.9	-174.5	-3	109.1	L657 H658 I660 V673	L657-R671 WeakPolarHBondContact CA-O 3.35Å; H658-R671 HydrophobicContact CB-CG 3.68Å; H658-R671 PolarHBondContact N-O 2.91Å; H658-R671 PolarHBondContact ND1-NE 3.1Å; H658-R671 PolarHBondContact ND1-NH2 3.42Å; H658-R671 PolarHBondContact O-N 3.41Å; I660-R671 HydrophobicContact CD1-CB 4.06Å; I660-R671 HydrophobicContact CD1-CG 4.12Å; R671-V673 HydrophobicContact CG-CG2 4.36Å
672	H	89.9	Confident	81.1	Confident	55 Å²	55	55.5 Å²	55.5	26%	0.255	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	133.3	168.1	-169.6	-82.4	0	0	0	109.8	I649 D655 L657 A674 S675	I649-H672 HydrophobicContact CG2-CB 4.16Å; D655-H672 IonicContact OD2-CD2 2.89Å; D655-H672 IonicContact OD2-NE2 3Å; D655-H672 PolarHBondContact OD2-NE2 3.49Å; L657-H672 HydrophobicContact CD2-CB 4.33Å; H672-A674 VanDerWaalsContact CE1-C 3.41Å; H672-A674 PolarHBondContact CE1-O 3.02Å; H672-S675 PolarHBondContact CE1-OG 2.94Å; H672-S675 VanDerWaalsContact CE1-OG 3.26Å
673	V	88.1	Confident	79.8	Confident	14 Å²	14	52.3 Å²	52.3	9%	0.085	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-48.2	-175.3	179.2	0	0	0	0	111.7	Y627 I656 H658 R671 P685 W944	Y627-V673 HydrophobicContact CD1-CG2 4.28Å; Y627-V673 HydrophobicContact CE1-CG2 4.2Å; I656-V673 HydrophobicContact CB-CB 4.32Å; I656-V673 HydrophobicContact CG2-CB 4.18Å; I656-V673 HydrophobicContact CG2-CG1 4.49Å; I656-V673 WeakPolarHBondContact O-CB 3.44Å; I656-V673 PolarHBondContact O-N 3.24Å; H658-V673 HydrophobicContact CB-CG2 3.49Å; H658-V673 VanDerWaalsContact CB-CG2 3.49Å; R671-V673 HydrophobicContact CG-CG2 4.36Å; V673-P685 HydrophobicContact CG1-CB 3.96Å; V673-P685 HydrophobicContact CG1-CG 4.07Å; V673-W944 HydrophobicContact CG1-CZ2 4.11Å
674	A	87.5	Confident	78.6	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.033	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	144.9	-177.1	0	0	0	0	0	110.4	D655 I656 H672	D655-A674 WeakPolarHBondContact CA-O 3.27Å; I656-A674 HydrophobicContact CB-CB 4.17Å; I656-A674 HydrophobicContact CG1-CB 4.2Å; I656-A674 PolarHBondContact N-O 2.88Å; I656-A674 PolarHBondContact O-N 3.4Å; H672-A674 VanDerWaalsContact CE1-C 3.41Å; H672-A674 PolarHBondContact CE1-O 3.02Å
675	S	90	Very high	77.4	Confident	63 Å²	63	48.5 Å²	48.5	44%	0.441	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-90.8	152.1	174.8	-67.5	0	0	0	0	111.8	D655 H672 P677	D655-S675 WeakPolarHBondContact OD1-CA 2.97Å; H672-S675 PolarHBondContact CE1-OG 2.94Å; H672-S675 VanDerWaalsContact CE1-OG 3.26Å; S675-P677 CarbonylContact O-C 3.51Å
676	F	88.9	Confident	75.8	Confident	56 Å²	56	46 Å²	46	25%	0.246	27%	0.268	C	S	.	.	S	Bend	trans	-59.6	135.3	168.4	-176.8	-95.3	0	0	0	111.1	D655 F915 D916 I918	D655-F676 PolarHBondContact OD1-N 3.45Å; F676-F915 WeakPolarHBondContact CE2-O 3.5Å; F676-D916 WeakPolarHBondContact CE2-O 3.38Å; F676-I918 HydrophobicContact CE1-CD1 3.96Å; F676-I918 HydrophobicContact CE1-CG1 4.04Å; F676-I918 HydrophobicContact CZ-CD1 4.43Å; F676-I918 HydrophobicContact CZ-CG1 4.23Å
677	P	85.2	Confident	73.5	Confident	37 Å²	37	50.3 Å²	50.3	24%	0.24	29%	0.286	C	S	.	.	S	Bend	cis	-77.5	130.7	-0.4	30.6	-33.1	0	0	0	112.6	S675 F679 S682 Y917	S675-P677 CarbonylContact O-C 3.51Å; P677-F679 VanDerWaalsContact C-N 3.25Å; P677-F679 HydrophobicContact CB-CD1 4.17Å; P677-F679 HydrophobicContact CB-CE1 3.82Å; P677-F679 PolarHBondContact O-N 3.42Å; P677-S682 PolarHBondContact O-OG 3.05Å; P677-Y917 HydrophobicContact CB-CD2 3.64Å; P677-Y917 HydrophobicContact CB-CE2 4.06Å; P677-Y917 HydrophobicContact CG-CD2 3.71Å; P677-Y917 HydrophobicContact CG-CE2 3.58Å
678	S	69.5	Low	70.7	Confident	12 Å²	12	55.1 Å²	55.1	8%	0.084	32%	0.321	C	S	.	.			trans	-87	47.8	-169.8	-61.6	0	0	0	0	112.9	G654 I656 W944	G654-S678 PolarHBondContact O-OG 3.29Å; I656-S678 WeakPolarHBondContact CG1-OG 3.33Å; S678-W944 VanDerWaalsContact O-CD1 3.23Å
679	F	74.9	Confident	67.7	Low	23 Å²	23	60.1 Å²	60.1	10%	0.101	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-144.7	165.4	169.2	66.5	-88.6	0	0	0	110.2	P677 S682 F878 D916 Y917 L934 L938 Q943	P677-F679 VanDerWaalsContact C-N 3.25Å; P677-F679 HydrophobicContact CB-CD1 4.17Å; P677-F679 HydrophobicContact CB-CE1 3.82Å; P677-F679 PolarHBondContact O-N 3.42Å; F679-S682 PolarHBondContact O-OG 3.07Å; F679-F878 HydrophobicContact CD1-CE2 4.18Å; F679-F878 HydrophobicContact CD1-CZ 4.34Å; F679-F878 AromaticContact CE1-CE2 3.88Å; F679-F878 HydrophobicContact CE1-CE2 3.88Å; F679-F878 AromaticContact CE1-CZ 3.61Å; F679-F878 HydrophobicContact CE1-CZ 3.61Å; F679-F878 HydrophobicContact CE2-CZ 4.3Å; F679-F878 HydrophobicContact CZ-CE2 4.22Å; F679-F878 AromaticContact CZ-CZ 3.6Å; F679-F878 HydrophobicContact CZ-CZ 3.6Å; F679-D916 WeakPolarHBondContact CE1-O 3.46Å; F679-Y917 AromaticContact CE1-CD2 3.56Å; F679-Y917 HydrophobicContact CE1-CD2 3.56Å; F679-Y917 HydrophobicContact CE1-CE2 4.37Å; F679-Y917 HydrophobicContact CE1-CG 4.36Å; F679-Y917 AromaticContact CZ-CD2 3.37Å; F679-Y917 HydrophobicContact CZ-CD2 3.37Å; F679-Y917 AromaticContact CZ-CE2 3.88Å; F679-Y917 HydrophobicContact CZ-CE2 3.88Å; F679-Y917 HydrophobicContact CZ-CG 4.21Å; F679-L934 HydrophobicContact CE2-CD1 3.53Å; F679-L934 HydrophobicContact CE2-CG 4.14Å; F679-L934 HydrophobicContact CZ-CD1 3.6Å; F679-L934 HydrophobicContact CZ-CD2 4.13Å; F679-L934 HydrophobicContact CZ-CG 4.05Å; F679-L938 HydrophobicContact CD2-CD1 3.78Å; F679-L938 HydrophobicContact CE2-CD1 4.09Å; F679-L938 HydrophobicContact CG-CD1 4.13Å; F679-Q943 HydrophobicContact CB-CG 4.15Å
680	G	62.6	Low	65	Low	8 Å²	8	60.5 Å²	60.5	8%	0.082	36%	0.362	C	S	.	.	S	Bend	trans	81.5	-163.1	-178	0	0	0	0	0	113.4	S682 S683 P942	G680-S682 PolarHBondContact O-N 3.21Å; G680-S683 VanDerWaalsContact O-CB 3.26Å; G680-S683 WeakPolarHBondContact O-CB 3.37Å; G680-S683 PolarHBondContact O-N 3.23Å; G680-S683 PolarHBondContact O-OG 3.02Å; G680-P942 PolarHBondContact N-O 3.08Å
681	P	54.6	Low	62	Low	116 Å²	116	64.7 Å²	64.7	75%	0.753	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-59.2	-33.8	-176.6	-21.5	31.9	0	0	0	113.2	S683 T684	P681-S683 PolarHBondContact O-N 3.42Å; P681-T684 PolarHBondContact O-N 3.42Å; P681-T684 VanDerWaalsContact O-N 3.11Å; P681-T684 PolarHBondContact O-OG1 2.96Å
682	S	57.5	Low	59.3	Low	67 Å²	67	66 Å²	66	47%	0.469	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-65.1	-14.4	175	47.5	0	0	0	0	113.8	P677 F679 G680 T684	P677-S682 PolarHBondContact O-OG 3.05Å; F679-S682 PolarHBondContact O-OG 3.07Å; G680-S682 PolarHBondContact O-N 3.21Å; S682-T684 VanDerWaalsContact C-N 3.32Å
683	S	55.9	Low	56.8	Low	0 Å²	0	68.8 Å²	68.8	0%	0	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-83.4	-5.5	174.5	77.8	0	0	0	0	113.9	G680 P681 P685 P942	G680-S683 VanDerWaalsContact O-CB 3.26Å; G680-S683 WeakPolarHBondContact O-CB 3.37Å; G680-S683 PolarHBondContact O-N 3.23Å; G680-S683 PolarHBondContact O-OG 3.02Å; P681-S683 PolarHBondContact O-N 3.42Å; S683-P685 WeakPolarHBondContact O-CD 3.46Å; S683-P942 PolarHBondContact OG-O 3.41Å
684	T	52.9	Low	55.4	Low	79 Å²	79	72 Å²	72	49%	0.485	47%	0.467	S	S	.	.	S	Bend	trans	-69	123.7	174.2	44.9	0	0	0	0	108.6	P681 S682 A686	P681-T684 PolarHBondContact O-N 3.42Å; P681-T684 VanDerWaalsContact O-N 3.11Å; P681-T684 PolarHBondContact O-OG1 2.96Å; S682-T684 VanDerWaalsContact C-N 3.32Å; T684-A686 PolarHBondContact O-N 3.32Å; T684-A686 VanDerWaalsContact O-N 3.11Å
685	P	52	Low	54.3	Low	51 Å²	51	78.6 Å²	78.6	33%	0.331	50%	0.501	S	S	.	.			trans	-52.4	126.2	167.7	-18.3	29.3	0	0	0	106.1	V673 S683 Q687	V673-P685 HydrophobicContact CG1-CB 3.96Å; V673-P685 HydrophobicContact CG1-CG 4.07Å; S683-P685 WeakPolarHBondContact O-CD 3.46Å; P685-Q687 PolarHBondContact O-N 3.25Å
686	A	47.9	Very low	53.9	Low	91 Å²	91	77.7 Å²	77.7	75%	0.752	50%	0.498	S	S	*	.			trans	-46.6	106.8	176.4	0	0	0	0	0	107.5	T684 C688	T684-A686 PolarHBondContact O-N 3.32Å; T684-A686 VanDerWaalsContact O-N 3.11Å; A686-C688 PolarHBondContact O-N 3.25Å
687	Q	38.6	Very low	53.7	Low	158 Å²	158	75.4 Å²	75.4	74%	0.738	49%	0.49	S	S	*	.			trans	-59.3	121.3	174.5	-87.1	-178.7	1.2	0	0	104.5	P685 N689	P685-Q687 PolarHBondContact O-N 3.25Å; Q687-N689 PolarHBondContact O-N 3.44Å
688	C	29.8	Very low	54.1	Low	118 Å²	118	75.1 Å²	75.1	80%	0.797	49%	0.487	S	S	*	.			trans	-61.1	71.6	174.9	31.7	0	0	0	0	109.9	A686	A686-C688 PolarHBondContact O-N 3.25Å
689	N	29.1	Very low	55.2	Low	134 Å²	134	74.6 Å²	74.6	72%	0.717	48%	0.483	S	S	*	.			trans	-119.4	49.7	174.6	-74.9	-13.7	0	0	0	108.7	Q687	Q687-N689 PolarHBondContact O-N 3.44Å
690	S	31	Very low	56.1	Low	92 Å²	92	73.5 Å²	73.5	64%	0.643	48%	0.478	S	S	*	.	S	Bend	trans	-176	140.7	152.5	53.8	0	0	0	0	106.6	T692	S690-T692 PolarHBondContact O-N 3.04Å
691	G	28.2	Very low	57.4	Low	88 Å²	88	73.1 Å²	73.1	91%	0.907	47%	0.474	S	S	*	.	S	Bend	trans	-64.1	29	-161.6	0	0	0	0	0	118.9
692	T	31	Very low	59.1	Low	120 Å²	120	68.5 Å²	68.5	74%	0.736	44%	0.444	S	S	*	.			trans	-103.4	86.4	166.1	50.1	0	0	0	0	108.4	S690 S694	S690-T692 PolarHBondContact O-N 3.04Å; T692-S694 PolarHBondContact O-N 2.96Å
693	T	38.4	Very low	60.4	Low	114 Å²	114	68.3 Å²	68.3	70%	0.699	44%	0.436	S	S	*	.			trans	-51.5	109.4	158.9	32.8	0	0	0	0	107.2	L695	T693-L695 VanDerWaalsContact C-N 3.27Å; T693-L695 PolarHBondContact O-N 3.5Å
694	S	57.1	Low	61.9	Low	80 Å²	80	69 Å²	69	56%	0.559	44%	0.439	S	S	*	.			trans	-53.3	100.3	167.5	172.7	0	0	0	0	106.3	T692	T692-S694 PolarHBondContact O-N 2.96Å
695	L	64.9	Low	63.6	Low	143 Å²	143	66.2 Å²	66.2	75%	0.749	42%	0.421	S	S	*	.			trans	-60.9	141.9	-175.2	-84.8	145.5	0	0	0	107.6	T693 G697	T693-L695 VanDerWaalsContact C-N 3.27Å; T693-L695 PolarHBondContact O-N 3.5Å; L695-G697 PolarHBondContact O-N 3.34Å
696	A	81.1	Confident	65	Low	45 Å²	45	65.2 Å²	65.2	37%	0.372	41%	0.412	S	S	.	.			trans	-56.4	137.4	167.8	0	0	0	0	0	108.5	I660 Q669 A670	I660-A696 HydrophobicContact CD1-CB 3.5Å; Q669-A696 HydrophobicContact CB-CB 4.42Å; A670-A696 WeakPolarHBondContact O-CA 3.31Å
697	G	86.4	Confident	66.5	Low	8 Å²	8	63.9 Å²	63.9	8%	0.082	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	171.9	174.4	0	0	0	0	0	110.6	A647 I649 Q669 A670 L695	A647-G697 CarbonylContact O-C 3.56Å; A647-G697 WeakPolarHBondContact O-CA 3.27Å; I649-G697 VanDerWaalsContact CD1-N 3.31Å; Q669-G697 WeakPolarHBondContact CA-O 3.36Å; A670-G697 PolarHBondContact N-O 3.3Å; A670-G697 PolarHBondContact O-N 2.9Å; L695-G697 PolarHBondContact O-N 3.34Å
698	L	92.2	Very high	68.5	Low	31 Å²	31	57.8 Å²	57.8	16%	0.162	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.3	-173	-57.9	179.1	0	0	0	110.4	I642 P643 A647 G648 I649 W667 W668 Q669	I642-L698 HydrophobicContact CD1-CB 4.32Å; P643-L698 HydrophobicContact CG-CD1 4.47Å; A647-L698 HydrophobicContact CB-CD1 4.21Å; A647-L698 HydrophobicContact CB-CG 4.3Å; A647-L698 PolarHBondContact O-N 2.79Å; G648-L698 WeakPolarHBondContact CA-O 3.24Å; I649-L698 PolarHBondContact N-O 3.1Å; W667-L698 HydrophobicContact CB-CD2 4.24Å; W667-L698 HydrophobicContact CE3-CB 4.2Å; W668-L698 WeakPolarHBondContact O-CA 3.41Å; Q669-L698 HydrophobicContact CG-CD2 4.14Å
699	I	93.2	Very high	70.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.3	167.4	63.9	168.4	0	0	0	108.1	I649 F651 L657 W667 W668 A670 Y753	I649-I699 HydrophobicContact CB-CG2 4.18Å; F651-I699 HydrophobicContact CD1-CG2 4.06Å; F651-I699 HydrophobicContact CE1-CB 3.99Å; F651-I699 HydrophobicContact CE1-CG2 3.75Å; L657-I699 HydrophobicContact CD1-CD1 3.88Å; L657-I699 HydrophobicContact CD1-CG2 4.36Å; W667-I699 CarbonylContact C-O 3.49Å; W667-I699 WeakPolarHBondContact CA-O 3.33Å; W668-I699 HydrophobicContact CB-CD1 4.36Å; W668-I699 HydrophobicContact CB-CG1 3.88Å; W668-I699 PolarHBondContact N-O 2.79Å; W668-I699 PolarHBondContact O-N 3.07Å; A670-I699 HydrophobicContact CB-CD1 3.47Å; A670-I699 VanDerWaalsContact CB-CD1 3.47Å; A670-I699 HydrophobicContact CB-CG1 3.89Å; A670-I699 HydrophobicContact CB-CG2 4.26Å; I699-Y753 HydrophobicContact CD1-CE1 4.35Å
700	P	93.4	Very high	72.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	141.2	174.9	27	-34.5	0	0	0	110	F632 Y634 W667 L704 Y753	F632-P700 HydrophobicContact CE2-CG 4.19Å; F632-P700 HydrophobicContact CZ-CG 3.96Å; Y634-P700 HydrophobicContact CD2-CG 4.18Å; Y634-P700 HydrophobicContact CE2-CG 4.24Å; Y634-P700 HydrophobicContact CG-CG 4.35Å; W667-P700 HydrophobicContact CZ3-CB 4.28Å; P700-L704 HydrophobicContact CB-CB 4.33Å; P700-L704 HydrophobicContact CB-CD2 3.85Å; P700-L704 HydrophobicContact CB-CG 4.24Å; P700-Y753 VanDerWaalsContact O-CE2 3.25Å; P700-Y753 WeakPolarHBondContact O-CE2 3.48Å; P700-Y753 PolarHBondContact O-OH 3.02Å
701	S	90.8	Very high	74.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	29%	0.288	C	S	.	.			trans	-66.1	158.3	169	65.8	0	0	0	0	110.6	Y665 N666 E703 L704 Q705	Y665-S701 WeakPolarHBondContact O-CB 3.41Å; Y665-S701 PolarHBondContact O-OG 2.99Å; N666-S701 WeakPolarHBondContact CA-OG 3.43Å; N666-S701 PolarHBondContact O-N 2.94Å; N666-S701 PolarHBondContact O-OG 2.92Å; S701-E703 WeakPolarHBondContact CB-OE2 3.46Å; S701-E703 PolarHBondContact O-N 3.11Å; S701-E703 PolarHBondContact OG-OE2 3.45Å; S701-L704 PolarHBondContact O-N 2.7Å; S701-L704 VanDerWaalsContact O-N 3.13Å; S701-L704 WeakPolarHBondContact OG-CB 3.32Å; S701-L704 PolarHBondContact OG-N 3.17Å; S701-Q705 PolarHBondContact O-N 3.42Å
702	P	89	Confident	76.7	Confident	19 Å²	19	46.4 Å²	46.4	12%	0.123	27%	0.267	C	S	.	.	H	α-helix	trans	-49.9	-43.4	170	-21.3	28.1	0	0	0	111.6	W668 L704 Q705 E706 T752 Y753	W668-P702 HydrophobicContact CH2-CG 3.34Å; W668-P702 HydrophobicContact CZ2-CG 3.67Å; W668-P702 HydrophobicContact CZ3-CG 3.87Å; P702-L704 PolarHBondContact O-N 3.37Å; P702-Q705 PolarHBondContact O-N 3.44Å; P702-E706 WeakPolarHBondContact O-CB 3.07Å; P702-E706 WeakPolarHBondContact O-CG 3.26Å; P702-E706 PolarHBondContact O-N 2.81Å; P702-T752 HydrophobicContact CB-CG2 4.46Å; P702-Y753 HydrophobicContact CG-CD2 4.01Å
703	E	85.8	Confident	78.3	Confident	64 Å²	64	43.3 Å²	43.3	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-64.1	-40.2	-179.7	-61.1	83.8	174.2	0	0	112.2	Y665 S701 W707	Y665-E703 HydrophobicContact CE1-CB 4.22Å; Y665-E703 HydrophobicContact CE2-CB 4.46Å; Y665-E703 HydrophobicContact CE2-CG 4.07Å; S701-E703 WeakPolarHBondContact CB-OE2 3.46Å; S701-E703 PolarHBondContact O-N 3.11Å; S701-E703 PolarHBondContact OG-OE2 3.45Å; E703-W707 WeakPolarHBondContact O-CB 3.48Å; E703-W707 PolarHBondContact O-N 3.18Å
704	L	87.9	Confident	79.3	Confident	14 Å²	14	42 Å²	42	7%	0.073	24%	0.24	C	C	.	.	H	α-helix	trans	-68.1	-40.4	175.3	-178.9	62.7	0	0	0	111.3	L641 N666 W667 P700 S701 P702 W707 R708	L641-L704 HydrophobicContact CD1-CD1 4.46Å; N666-L704 HydrophobicContact CB-CD2 4.21Å; N666-L704 WeakPolarHBondContact O-CD2 3.33Å; W667-L704 HydrophobicContact CD2-CD2 4.17Å; W667-L704 HydrophobicContact CE3-CD2 4.39Å; W667-L704 HydrophobicContact CH2-CD2 3.85Å; W667-L704 HydrophobicContact CZ2-CD2 3.5Å; W667-L704 HydrophobicContact CZ3-CD2 4.26Å; P700-L704 HydrophobicContact CB-CB 4.33Å; P700-L704 HydrophobicContact CB-CD2 3.85Å; P700-L704 HydrophobicContact CB-CG 4.24Å; S701-L704 PolarHBondContact O-N 2.7Å; S701-L704 VanDerWaalsContact O-N 3.13Å; S701-L704 WeakPolarHBondContact OG-CB 3.32Å; S701-L704 PolarHBondContact OG-N 3.17Å; P702-L704 PolarHBondContact O-N 3.37Å; L704-W707 HydrophobicContact CD1-CE3 4.21Å; L704-W707 WeakPolarHBondContact O-CB 3.19Å; L704-W707 PolarHBondContact O-N 2.96Å; L704-R708 WeakPolarHBondContact O-CG 3.04Å; L704-R708 PolarHBondContact O-N 3.46Å
705	Q	89	Confident	79.4	Confident	20 Å²	20	42.8 Å²	42.8	9%	0.093	24%	0.235	C	C	.	.	H	α-helix	trans	-68.7	-42.3	179.2	-177.7	62	11	0	0	111.8	F632 S701 P702 W707 R708 T709 T752	F632-Q705 HydrophobicContact CD1-CG 4.05Å; F632-Q705 HydrophobicContact CD2-CG 4.32Å; F632-Q705 HydrophobicContact CE1-CB 4.41Å; F632-Q705 HydrophobicContact CE1-CG 3.65Å; F632-Q705 HydrophobicContact CE2-CG 3.92Å; F632-Q705 HydrophobicContact CG-CG 4.38Å; F632-Q705 HydrophobicContact CZ-CB 4.14Å; F632-Q705 HydrophobicContact CZ-CG 3.56Å; S701-Q705 PolarHBondContact O-N 3.42Å; P702-Q705 PolarHBondContact O-N 3.44Å; Q705-W707 VanDerWaalsContact C-N 3.28Å; Q705-W707 PolarHBondContact O-N 2.86Å; Q705-R708 WeakPolarHBondContact O-CB 3.48Å; Q705-R708 PolarHBondContact O-N 3.13Å; Q705-R708 VanDerWaalsContact O-N 3.12Å; Q705-T709 PolarHBondContact O-N 3.49Å; Q705-T709 PolarHBondContact O-OG1 3.19Å; Q705-T709 VanDerWaalsContact O-OG1 3.11Å; Q705-T752 HydrophobicContact CB-CG2 4.02Å; Q705-T752 HydrophobicContact CG-CG2 3.94Å
706	E	80.3	Confident	79	Confident	30 Å²	30	42.3 Å²	42.3	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-57.8	-43.6	172.6	-72.2	161	-176.7	0	0	111	P702 R708 T709 A710 I745 L750 T752	P702-E706 WeakPolarHBondContact O-CB 3.07Å; P702-E706 WeakPolarHBondContact O-CG 3.26Å; P702-E706 PolarHBondContact O-N 2.81Å; E706-R708 VanDerWaalsContact C-N 3.34Å; E706-R708 PolarHBondContact O-N 3.48Å; E706-T709 PolarHBondContact O-N 2.75Å; E706-A710 VanDerWaalsContact O-CB 3.23Å; E706-A710 WeakPolarHBondContact O-CB 3.5Å; E706-A710 PolarHBondContact O-N 3.4Å; E706-I745 HydrophobicContact CB-CG2 4.12Å; E706-I745 HydrophobicContact CG-CG2 3.6Å; E706-I745 WeakPolarHBondContact OE1-CG2 3.41Å; E706-I745 WeakPolarHBondContact OE2-CG2 3.45Å; E706-L750 HydrophobicContact CB-CD1 3.97Å; E706-L750 HydrophobicContact CG-CB 4.29Å; E706-L750 HydrophobicContact CG-CD1 3.86Å; E706-T752 HydrophobicContact CG-CG2 3.72Å
707	W	78.6	Confident	77.3	Confident	63 Å²	63	43 Å²	43	24%	0.239	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-43.2	174.7	177.5	93.9	0	0	0	111.9	L641 E703 L704 Q705 C711 F739	L641-W707 HydrophobicContact CD1-CE3 4.33Å; L641-W707 HydrophobicContact CD1-CH2 4.05Å; L641-W707 HydrophobicContact CD1-CZ3 3.45Å; L641-W707 VanDerWaalsContact CD1-CZ3 3.45Å; E703-W707 WeakPolarHBondContact O-CB 3.48Å; E703-W707 PolarHBondContact O-N 3.18Å; L704-W707 HydrophobicContact CD1-CE3 4.21Å; L704-W707 WeakPolarHBondContact O-CB 3.19Å; L704-W707 PolarHBondContact O-N 2.96Å; Q705-W707 VanDerWaalsContact C-N 3.28Å; Q705-W707 PolarHBondContact O-N 2.86Å; W707-C711 WeakPolarHBondContact O-CB 3.36Å; W707-C711 PolarHBondContact O-N 3.34Å; W707-C711 PolarHBondContact O-SG 3.06Å; W707-F739 HydrophobicContact CB-CE1 4.14Å; W707-F739 HydrophobicContact CB-CZ 4.01Å; W707-F739 AromaticContact CD1-CD2 3.92Å; W707-F739 AromaticContact CD1-CE2 3.28Å; W707-F739 AromaticContact CD1-CZ 3.55Å; W707-F739 HydrophobicContact CG-CE2 4.22Å; W707-F739 HydrophobicContact CG-CZ 4.09Å
708	R	81.3	Confident	75.1	Confident	31 Å²	31	45.6 Å²	45.6	12%	0.117	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-51.5	177.1	-75.1	175.4	178.2	166.3	1.9	111.8	D639 W667 L704 Q705 E706 A710 C711 L712	D639-R708 IonicContact OD1-CZ 3.95Å; D639-R708 IonicContact OD1-NH2 3.14Å; D639-R708 PolarHBondContact OD1-NH2 2.9Å; D639-R708 IonicContact OD2-CZ 3.08Å; D639-R708 IonicContact OD2-NH1 3.3Å; D639-R708 PolarHBondContact OD2-NH1 3.48Å; D639-R708 IonicContact OD2-NH2 2.65Å; D639-R708 PolarHBondContact OD2-NH2 2.68Å; W667-R708 VanDerWaalsContact CH2-NH2 3.28Å; L704-R708 WeakPolarHBondContact O-CG 3.04Å; L704-R708 PolarHBondContact O-N 3.46Å; Q705-R708 WeakPolarHBondContact O-CB 3.48Å; Q705-R708 PolarHBondContact O-N 3.13Å; Q705-R708 VanDerWaalsContact O-N 3.12Å; E706-R708 VanDerWaalsContact C-N 3.34Å; E706-R708 PolarHBondContact O-N 3.48Å; R708-A710 VanDerWaalsContact C-N 3.31Å; R708-A710 PolarHBondContact O-N 2.92Å; R708-C711 WeakPolarHBondContact O-CB 3.31Å; R708-C711 PolarHBondContact O-N 3.28Å; R708-C711 VanDerWaalsContact O-N 3.11Å; R708-L712 WeakPolarHBondContact O-CG 3.47Å; R708-L712 PolarHBondContact O-N 3.46Å
709	T	76.6	Confident	72.7	Confident	45 Å²	45	48.5 Å²	48.5	28%	0.276	27%	0.267	S	S	.	.	H	α-helix	trans	-63.4	-39.8	-177.8	-54.6	0	0	0	0	111	Q705 E706 L712 A713 L750	Q705-T709 PolarHBondContact O-N 3.49Å; Q705-T709 PolarHBondContact O-OG1 3.19Å; Q705-T709 VanDerWaalsContact O-OG1 3.11Å; E706-T709 PolarHBondContact O-N 2.75Å; T709-L712 PolarHBondContact O-N 2.77Å; T709-A713 WeakPolarHBondContact O-CB 3.38Å; T709-A713 PolarHBondContact O-N 2.84Å; T709-L750 HydrophobicContact CG2-CD2 3.4Å; T709-L750 VanDerWaalsContact CG2-CD2 3.4Å
710	A	69.4	Low	70.1	Confident	17 Å²	17	53.1 Å²	53.1	14%	0.14	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-40.6	173.3	0	0	0	0	0	112.3	E706 R708 A713 M714 F739	E706-A710 VanDerWaalsContact O-CB 3.23Å; E706-A710 WeakPolarHBondContact O-CB 3.5Å; E706-A710 PolarHBondContact O-N 3.4Å; R708-A710 VanDerWaalsContact C-N 3.31Å; R708-A710 PolarHBondContact O-N 2.92Å; A710-A713 PolarHBondContact O-N 3.47Å; A710-M714 WeakPolarHBondContact O-CG 3.47Å; A710-M714 PolarHBondContact O-N 2.78Å; A710-F739 HydrophobicContact CB-CZ 4.31Å
711	C	72.7	Confident	67.2	Low	40 Å²	40	59.8 Å²	59.8	27%	0.27	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-43.1	175.6	-72.1	0	0	0	0	112.1	W707 R708 M714 E715	W707-C711 WeakPolarHBondContact O-CB 3.36Å; W707-C711 PolarHBondContact O-N 3.34Å; W707-C711 PolarHBondContact O-SG 3.06Å; R708-C711 WeakPolarHBondContact O-CB 3.31Å; R708-C711 PolarHBondContact O-N 3.28Å; R708-C711 VanDerWaalsContact O-N 3.11Å; C711-M714 CarbonylContact O-C 3.51Å; C711-M714 WeakPolarHBondContact O-CB 3.44Å; C711-M714 PolarHBondContact O-N 2.84Å; C711-E715 WeakPolarHBondContact O-CG 3.47Å; C711-E715 PolarHBondContact O-N 3.31Å
712	L	71.2	Confident	64.5	Low	91 Å²	91	66.1 Å²	66.1	48%	0.476	37%	0.365	S	S	.	.	H	α-helix	trans	-62.9	-44.6	176.1	-72.5	170.9	0	0	0	111.2	R708 T709 M714 E715 H716	R708-L712 WeakPolarHBondContact O-CG 3.47Å; R708-L712 PolarHBondContact O-N 3.46Å; T709-L712 PolarHBondContact O-N 2.77Å; L712-M714 PolarHBondContact O-N 3.13Å; L712-E715 PolarHBondContact O-N 3.44Å; L712-H716 PolarHBondContact O-CD2 3.39Å; L712-H716 PolarHBondContact O-N 2.98Å
713	A	65.6	Low	61.8	Low	54 Å²	54	70.7 Å²	70.7	45%	0.446	40%	0.397	S	S	.	.	H	α-helix	trans	-58.1	-38.4	174.6	0	0	0	0	0	111.8	T709 A710 A717	T709-A713 WeakPolarHBondContact O-CB 3.38Å; T709-A713 PolarHBondContact O-N 2.84Å; A710-A713 PolarHBondContact O-N 3.47Å; A713-A717 PolarHBondContact O-N 3.28Å; A713-A717 VanDerWaalsContact O-N 3.15Å
714	M	60	Low	59.3	Low	87 Å²	87	72.7 Å²	72.7	43%	0.429	41%	0.409	S	S	.	.	H	α-helix	trans	-69.1	-34.9	172.5	-71.6	-173.3	178.6	0	0	113.2	F58 A710 C711 L712 A717 K718	F58-M714 HydrophobicContact CE1-CE 4.41Å; F58-M714 HydrophobicContact CE2-CE 3.89Å; F58-M714 HydrophobicContact CE2-SD 4.21Å; F58-M714 HydrophobicContact CZ-CE 3.64Å; F58-M714 HydrophobicContact CZ-SD 4.07Å; A710-M714 WeakPolarHBondContact O-CG 3.47Å; A710-M714 PolarHBondContact O-N 2.78Å; C711-M714 CarbonylContact O-C 3.51Å; C711-M714 WeakPolarHBondContact O-CB 3.44Å; C711-M714 PolarHBondContact O-N 2.84Å; L712-M714 PolarHBondContact O-N 3.13Å; M714-A717 PolarHBondContact O-N 3.41Å; M714-K718 WeakPolarHBondContact O-CG 3.47Å; M714-K718 PolarHBondContact O-N 3.17Å; M714-K718 VanDerWaalsContact O-N 3.1Å
715	E	58	Low	56.7	Low	97 Å²	97	77.7 Å²	77.7	45%	0.453	45%	0.445	S	S	.	.	H	α-helix	trans	-72.4	-38.6	177.1	-75.1	-173.2	168	0	0	112.6	C711 L712 A717 K718 S719	C711-E715 WeakPolarHBondContact O-CG 3.47Å; C711-E715 PolarHBondContact O-N 3.31Å; L712-E715 PolarHBondContact O-N 3.44Å; E715-A717 PolarHBondContact O-N 2.98Å; E715-K718 CarbonylContact O-C 3.51Å; E715-K718 WeakPolarHBondContact O-CA 3.3Å; E715-K718 VanDerWaalsContact O-CB 3.31Å; E715-K718 WeakPolarHBondContact O-CB 3.22Å; E715-K718 PolarHBondContact O-N 3.36Å; E715-S719 PolarHBondContact O-N 3.28Å
716	H	56.8	Low	54.3	Low	133 Å²	133	81.3 Å²	81.3	62%	0.616	46%	0.464	S	S	*	.	H	α-helix	trans	-63	-33.2	170.3	-75.1	-69.4	0	0	0	111.9	L712 K718 S719	L712-H716 PolarHBondContact O-CD2 3.39Å; L712-H716 PolarHBondContact O-N 2.98Å; H716-K718 VanDerWaalsContact C-N 3.29Å; H716-K718 PolarHBondContact O-N 3.48Å; H716-S719 PolarHBondContact O-OG 3Å
717	A	45.9	Very low	52.3	Low	60 Å²	60	83.6 Å²	83.6	50%	0.496	48%	0.483	S	S	.	.	H	α-helix	trans	-68.7	-26.3	169.4	0	0	0	0	0	112.8	A713 M714 E715 F721	A713-A717 PolarHBondContact O-N 3.28Å; A713-A717 VanDerWaalsContact O-N 3.15Å; M714-A717 PolarHBondContact O-N 3.41Å; E715-A717 PolarHBondContact O-N 2.98Å; A717-F721 WeakPolarHBondContact O-CD2 3.28Å
718	K	40.1	Very low	50.4	Low	61 Å²	61	88.8 Å²	88.8	27%	0.265	51%	0.507	S	S	.	.	H	α-helix	trans	-80.6	-29.5	176.6	-72.6	172.2	-171	170.7	0	114	M714 E715 H716 T720 F721 L724	M714-K718 WeakPolarHBondContact O-CG 3.47Å; M714-K718 PolarHBondContact O-N 3.17Å; M714-K718 VanDerWaalsContact O-N 3.1Å; E715-K718 CarbonylContact O-C 3.51Å; E715-K718 WeakPolarHBondContact O-CA 3.3Å; E715-K718 VanDerWaalsContact O-CB 3.31Å; E715-K718 WeakPolarHBondContact O-CB 3.22Å; E715-K718 PolarHBondContact O-N 3.36Å; H716-K718 VanDerWaalsContact C-N 3.29Å; H716-K718 PolarHBondContact O-N 3.48Å; K718-T720 PolarHBondContact O-N 3.29Å; K718-F721 CarbonylContact O-C 3.56Å; K718-F721 WeakPolarHBondContact O-CA 3.44Å; K718-F721 PolarHBondContact O-N 2.9Å; K718-L724 HydrophobicContact CD-CB 3.76Å; K718-L724 HydrophobicContact CD-CD1 4.18Å; K718-L724 HydrophobicContact CG-CB 3.95Å; K718-L724 HydrophobicContact CG-CD1 3.61Å; K718-L724 HydrophobicContact CG-CG 4.41Å
719	S	41.9	Very low	48.3	Very low	92 Å²	92	98.9 Å²	98.9	64%	0.643	55%	0.545	S	S	*	.	H	α-helix	trans	-63.8	-22.6	174.9	48.4	0	0	0	0	112.6	E715 H716 F721	E715-S719 PolarHBondContact O-N 3.28Å; H716-S719 PolarHBondContact O-OG 3Å; S719-F721 VanDerWaalsContact C-N 3.34Å
720	T	38.5	Very low	46.4	Very low	97 Å²	97	103 Å²	103	60%	0.595	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-12	172.2	-42.1	0	0	0	0	112.3	K718	K718-T720 PolarHBondContact O-N 3.29Å
721	F	31.8	Very low	44.8	Very low	140 Å²	140	108.1 Å²	108.1	61%	0.614	58%	0.575	S	S	*	*	S	Bend	trans	-146.5	96.2	-175.4	-64.7	-74.5	0	0	0	113.3	A717 K718 S719 C723	A717-F721 WeakPolarHBondContact O-CD2 3.28Å; K718-F721 CarbonylContact O-C 3.56Å; K718-F721 WeakPolarHBondContact O-CA 3.44Å; K718-F721 PolarHBondContact O-N 2.9Å; S719-F721 VanDerWaalsContact C-N 3.34Å; F721-C723 PolarHBondContact O-N 2.86Å
722	P	34.7	Very low	43.2	Very low	133 Å²	133	114.4 Å²	114.4	86%	0.864	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	20.6	-167.6	-18.4	31.1	0	0	0	118.8
723	C	32.3	Very low	41.5	Very low	116 Å²	116	118.2 Å²	118.2	78%	0.784	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-8.1	-166.6	179.9	0	0	0	0	115.5	F721 S725	F721-C723 PolarHBondContact O-N 2.86Å; C723-S725 PolarHBondContact O-N 2.88Å
724	L	32.9	Very low	40	Very low	106 Å²	106	121.3 Å²	121.3	56%	0.555	62%	0.619	S	S	*	*			trans	-94.3	74.9	-171	-78.9	148.6	0	0	0	113.9	K718 I726	K718-L724 HydrophobicContact CD-CB 3.76Å; K718-L724 HydrophobicContact CD-CD1 4.18Å; K718-L724 HydrophobicContact CG-CB 3.95Å; K718-L724 HydrophobicContact CG-CD1 3.61Å; K718-L724 HydrophobicContact CG-CG 4.41Å; L724-I726 PolarHBondContact O-N 3.46Å
725	S	33.8	Very low	38.9	Very low	119 Å²	119	118.9 Å²	118.9	83%	0.832	62%	0.616	S	S	*	*			trans	-81.3	82.4	173	-62.8	0	0	0	0	112.2	C723	C723-S725 PolarHBondContact O-N 2.88Å
726	I	38	Very low	38	Very low	96 Å²	96	123 Å²	123	49%	0.492	63%	0.633	S	S	.	*			trans	-91.7	112.1	168.8	-69.7	174.5	0	0	0	109.3	L724	L724-I726 PolarHBondContact O-N 3.46Å
727	S	37.3	Very low	37	Very low	77 Å²	77	124.8 Å²	124.8	54%	0.538	64%	0.641	S	S	.	*			trans	-54.2	138.1	177.5	61	0	0	0	0	113.4	R729 K730	S727-R729 PolarHBondContact O-N 3.12Å; S727-K730 PolarHBondContact O-N 2.8Å
728	K	40.1	Very low	36.7	Very low	172 Å²	172	125.9 Å²	125.9	75%	0.748	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-53	-20.2	-177.7	-69.6	-176.6	175.7	-176	0	114.9
729	R	36.9	Very low	36.6	Very low	243 Å²	243	125.7 Å²	125.7	92%	0.917	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-81.5	-11.2	-174.5	-82.5	-177	173.3	165.2	-1.7	115.9	S727	S727-R729 PolarHBondContact O-N 3.12Å
730	K	35.6	Very low	36.5	Very low	131 Å²	131	128.5 Å²	128.5	57%	0.57	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-101.8	-0.7	-178.7	-77	-171	176.6	-177.6	0	115.5	S727 H732 Q733 F734	S727-K730 PolarHBondContact O-N 2.8Å; K730-H732 VanDerWaalsContact C-N 3.31Å; K730-H732 PolarHBondContact O-N 3.4Å; K730-Q733 PolarHBondContact O-N 2.89Å; K730-F734 HydrophobicContact CB-CD2 4.38Å; K730-F734 HydrophobicContact CB-CE2 4.47Å
731	R	37.3	Very low	36.3	Very low	125 Å²	125	125.1 Å²	125.1	47%	0.472	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.2	-29.2	-175.7	-69.7	-178.9	-174.3	171.6	-5.6	114.4
732	H	38.7	Very low	36.5	Very low	172 Å²	172	127.9 Å²	127.9	80%	0.796	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-17.9	-174.5	-74.6	45.9	0	0	0	114.9	K730	K730-H732 VanDerWaalsContact C-N 3.31Å; K730-H732 PolarHBondContact O-N 3.4Å
733	Q	35.4	Very low	36.7	Very low	171 Å²	171	123.3 Å²	123.3	80%	0.799	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-13.5	-179.7	-94.4	176.7	-9	0	0	113.9	K730 G735	K730-Q733 PolarHBondContact O-N 2.89Å; Q733-G735 VanDerWaalsContact C-N 3.32Å; Q733-G735 PolarHBondContact O-N 3.44Å
734	F	33.2	Very low	36.9	Very low	120 Å²	120	120.2 Å²	120.2	53%	0.526	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-75.8	-16.3	-179	-104	-95.3	0	0	0	114.2	K730 K736	K730-F734 HydrophobicContact CB-CD2 4.38Å; K730-F734 HydrophobicContact CB-CE2 4.47Å; F734-K736 PolarHBondContact O-N 3.21Å
735	G	38.1	Very low	36.9	Very low	35 Å²	35	116 Å²	116	36%	0.361	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-75.9	-18.8	-172.6	0	0	0	0	0	116.5	Q733	Q733-G735 VanDerWaalsContact C-N 3.32Å; Q733-G735 PolarHBondContact O-N 3.44Å
736	K	38.5	Very low	37.2	Very low	184 Å²	184	116.4 Å²	116.4	80%	0.8	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-85.1	-16.5	-171.8	-74	-174.4	175.9	-177.6	0	115.7	F734	F734-K736 PolarHBondContact O-N 3.21Å
737	H	37.1	Very low	37.2	Very low	171 Å²	171	117 Å²	117	79%	0.792	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-11.8	-171.1	-73.1	-73.8	0	0	0	115.6
738	F	38.9	Very low	37.6	Very low	82 Å²	82	116.2 Å²	116.2	36%	0.36	52%	0.524	S	S	.	.	S	Bend	trans	-93.7	-22.6	-177.2	-100.6	-95.3	0	0	0	115.3	F58	F58-F738 HydrophobicContact CB-CE1 3.7Å; F58-F738 HydrophobicContact CB-CZ 3.68Å; F58-F738 AromaticContact CD2-CE1 3.75Å; F58-F738 HydrophobicContact CD2-CE1 3.75Å; F58-F738 AromaticContact CD2-CZ 3.84Å; F58-F738 HydrophobicContact CD2-CZ 3.84Å; F58-F738 AromaticContact CG-CE1 3.99Å; F58-F738 HydrophobicContact CG-CE1 3.99Å; F58-F738 HydrophobicContact CG-CZ 4.18Å
739	F	38.3	Very low	38.3	Very low	57 Å²	57	112.9 Å²	112.9	25%	0.25	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	9.2	-166.6	-78.6	-97.6	0	0	0	115.2	W707 A710 S741 I745	W707-F739 HydrophobicContact CB-CE1 4.14Å; W707-F739 HydrophobicContact CB-CZ 4.01Å; W707-F739 AromaticContact CD1-CD2 3.92Å; W707-F739 AromaticContact CD1-CE2 3.28Å; W707-F739 AromaticContact CD1-CZ 3.55Å; W707-F739 HydrophobicContact CG-CE2 4.22Å; W707-F739 HydrophobicContact CG-CZ 4.09Å; A710-F739 HydrophobicContact CB-CZ 4.31Å; F739-S741 PolarHBondContact O-N 3.01Å; F739-I745 HydrophobicContact CD1-CD1 3.75Å; F739-I745 HydrophobicContact CD1-CG1 4.33Å; F739-I745 HydrophobicContact CE1-CD1 4.4Å
740	K	39.9	Very low	39.6	Very low	151 Å²	151	102.7 Å²	102.7	66%	0.657	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.7	170.2	-86.8	-175.2	175.1	-179.3	0	113.9	R742	K740-R742 PolarHBondContact O-N 2.99Å
741	S	33.2	Very low	41.4	Very low	27 Å²	27	97.7 Å²	97.7	19%	0.189	46%	0.461	C	S	.	.			trans	-89.2	76.1	176.7	-165	0	0	0	0	110.6	R51 F739 S743 I744	R51-S741 PolarHBondContact NH2-OG 3.37Å; F739-S741 PolarHBondContact O-N 3.01Å; S741-S743 PolarHBondContact O-N 3.18Å; S741-S743 PolarHBondContact OG-OG 3.38Å; S741-I744 PolarHBondContact O-N 2.9Å
742	R	36.8	Very low	43.7	Very low	197 Å²	197	92.6 Å²	92.6	74%	0.743	44%	0.444	S	S	*	.	H	α-helix	trans	-44.9	-34.7	172.9	-96	-179.6	173.5	-179.3	-4.2	113	K740 I744 I745 D746	K740-R742 PolarHBondContact O-N 2.99Å; R742-I744 VanDerWaalsContact C-N 3.26Å; R742-I744 PolarHBondContact O-N 3.31Å; R742-I744 VanDerWaalsContact O-N 3.11Å; R742-I745 WeakPolarHBondContact O-CB 3.24Å; R742-I745 PolarHBondContact O-N 3.46Å; R742-D746 PolarHBondContact O-N 2.9Å
743	S	39.3	Very low	46.2	Very low	38 Å²	38	85.7 Å²	85.7	27%	0.266	41%	0.411	S	S	.	.	H	α-helix	trans	-60.1	-15.9	178.4	53.3	0	0	0	0	117.7	I84 S741 R747	I84-S743 VanDerWaalsContact CD1-CB 3.4Å; I84-S743 WeakPolarHBondContact CD1-OG 3.41Å; S741-S743 PolarHBondContact O-N 3.18Å; S741-S743 PolarHBondContact OG-OG 3.38Å; S743-R747 VanDerWaalsContact O-CD 3.22Å; S743-R747 WeakPolarHBondContact O-CD 3.24Å; S743-R747 WeakPolarHBondContact O-CG 3.27Å
744	I	36.5	Very low	48.8	Very low	50 Å²	50	79.4 Å²	79.4	26%	0.256	38%	0.382	S	S	.	.	H	α-helix	trans	-86.1	-39.7	172.3	-51.4	163.1	0	0	0	110.3	R51 S741 R742 R747 L748	R51-I744 VanDerWaalsContact NH2-CD1 3.33Å; S741-I744 PolarHBondContact O-N 2.9Å; R742-I744 VanDerWaalsContact C-N 3.26Å; R742-I744 PolarHBondContact O-N 3.31Å; R742-I744 VanDerWaalsContact O-N 3.11Å; I744-R747 PolarHBondContact O-N 3.1Å; I744-L748 HydrophobicContact CG2-CD1 4.19Å
745	I	33.1	Very low	51.6	Low	18 Å²	18	78.4 Å²	78.4	9%	0.092	38%	0.378	C	S	.	.	H	α-helix	trans	-69.9	-45.9	-173.8	-63.8	170.1	0	0	0	109.2	E706 F739 R742 R747 L748 L750	E706-I745 HydrophobicContact CB-CG2 4.12Å; E706-I745 HydrophobicContact CG-CG2 3.6Å; E706-I745 WeakPolarHBondContact OE1-CG2 3.41Å; E706-I745 WeakPolarHBondContact OE2-CG2 3.45Å; F739-I745 HydrophobicContact CD1-CD1 3.75Å; F739-I745 HydrophobicContact CD1-CG1 4.33Å; F739-I745 HydrophobicContact CE1-CD1 4.4Å; R742-I745 WeakPolarHBondContact O-CB 3.24Å; R742-I745 PolarHBondContact O-N 3.46Å; I745-R747 PolarHBondContact O-N 3.25Å; I745-L748 PolarHBondContact O-N 3.48Å; I745-L750 HydrophobicContact CB-CD1 4.32Å; I745-L750 HydrophobicContact CG2-CD1 3.83Å
746	D	39.5	Very low	54	Low	127 Å²	127	76.9 Å²	76.9	68%	0.679	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.9	178	-65.2	-25.7	0	0	0	113.6	R742	R742-D746 PolarHBondContact O-N 2.9Å
747	R	38.2	Very low	56.4	Low	110 Å²	110	70.5 Å²	70.5	42%	0.415	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-9.8	-173.5	-66.6	-175.3	175.9	-166.8	-1.7	115.3	I84 S743 I744 I745 D749	I84-R747 PolarHBondContact O-NH1 2.7Å; I84-R747 PolarHBondContact O-NH2 3.05Å; S743-R747 VanDerWaalsContact O-CD 3.22Å; S743-R747 WeakPolarHBondContact O-CD 3.24Å; S743-R747 WeakPolarHBondContact O-CG 3.27Å; I744-R747 PolarHBondContact O-N 3.1Å; I745-R747 PolarHBondContact O-N 3.25Å; R747-D749 VanDerWaalsContact C-N 3.29Å
748	L	44.8	Very low	58.8	Low	60 Å²	60	66.6 Å²	66.6	31%	0.314	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	11.3	-177.9	-81.6	167.8	0	0	0	112.7	I744 I745 L750	I744-L748 HydrophobicContact CG2-CD1 4.19Å; I745-L748 PolarHBondContact O-N 3.48Å; L748-L750 HydrophobicContact CB-CD1 3.83Å; L748-L750 HydrophobicContact CB-CD2 3.58Å; L748-L750 HydrophobicContact CB-CG 3.41Å; L748-L750 VanDerWaalsContact CB-CG 3.41Å; L748-L750 HydrophobicContact CD1-CD1 4.28Å; L748-L750 HydrophobicContact CD1-CD2 4.42Å; L748-L750 PolarHBondContact O-N 3.33Å; L748-L750 VanDerWaalsContact O-N 3.11Å
749	D	54.8	Low	61	Low	102 Å²	102	64.7 Å²	64.7	55%	0.545	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	43	45.1	-174.4	-136.4	-6.4	0	0	0	110.2	R747 A751 K868	R747-D749 VanDerWaalsContact C-N 3.29Å; D749-A751 PolarHBondContact O-N 3.07Å; D749-K868 WeakPolarHBondContact OD2-CE 3.31Å; D749-K868 IonicContact OD2-NZ 3.09Å; D749-K868 PolarHBondContact OD2-NZ 2.99Å
750	L	63.6	Low	63.2	Low	28 Å²	28	66.2 Å²	66.2	15%	0.147	33%	0.326	C	S	.	.			trans	-72.3	104.8	-168.9	-66.9	171.9	0	0	0	109	E706 T709 I745 L748 T752	E706-L750 HydrophobicContact CB-CD1 3.97Å; E706-L750 HydrophobicContact CG-CB 4.29Å; E706-L750 HydrophobicContact CG-CD1 3.86Å; T709-L750 HydrophobicContact CG2-CD2 3.4Å; T709-L750 VanDerWaalsContact CG2-CD2 3.4Å; I745-L750 HydrophobicContact CB-CD1 4.32Å; I745-L750 HydrophobicContact CG2-CD1 3.83Å; L748-L750 HydrophobicContact CB-CD1 3.83Å; L748-L750 HydrophobicContact CB-CD2 3.58Å; L748-L750 HydrophobicContact CB-CG 3.41Å; L748-L750 VanDerWaalsContact CB-CG 3.41Å; L748-L750 HydrophobicContact CD1-CD1 4.28Å; L748-L750 HydrophobicContact CD1-CD2 4.42Å; L748-L750 PolarHBondContact O-N 3.33Å; L748-L750 VanDerWaalsContact O-N 3.11Å; L750-T752 PolarHBondContact O-N 2.72Å
751	A	74.3	Confident	65.2	Low	27 Å²	27	63.3 Å²	63.3	22%	0.223	32%	0.321	C	S	.	.			trans	-64.4	103.6	174.4	0	0	0	0	0	110.6	Q631 F632 D749	Q631-A751 HydrophobicContact CB-CB 3.79Å; Q631-A751 WeakPolarHBondContact O-CB 3.37Å; F632-A751 WeakPolarHBondContact CD1-O 3.15Å; D749-A751 PolarHBondContact O-N 3.07Å
752	T	86.3	Confident	67.8	Low	18 Å²	18	63.8 Å²	63.8	11%	0.11	32%	0.32	C	S	.	.			trans	-115.9	-96.4	172.5	57.3	0	0	0	0	110.5	Q631 F632 P702 Q705 E706 L750	Q631-T752 WeakPolarHBondContact CB-O 3.39Å; Q631-T752 PolarHBondContact N-O 2.99Å; F632-T752 WeakPolarHBondContact CD1-O 3.46Å; F632-T752 WeakPolarHBondContact CE1-O 3.47Å; P702-T752 HydrophobicContact CB-CG2 4.46Å; Q705-T752 HydrophobicContact CB-CG2 4.02Å; Q705-T752 HydrophobicContact CG-CG2 3.94Å; E706-T752 HydrophobicContact CG-CG2 3.72Å; L750-T752 PolarHBondContact O-N 2.72Å
753	Y	91	Very high	70.3	Confident	26 Å²	26	62.2 Å²	62.2	10%	0.102	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.1	-175.7	-62.5	-71.6	0	0	0	108.9	V628 R629 A630 F632 F651 L657 I699 P700 P702	V628-Y753 HydrophobicContact CB-CD1 4.46Å; V628-Y753 HydrophobicContact CG2-CD1 3.86Å; V628-Y753 HydrophobicContact CG2-CG 4.23Å; R629-Y753 WeakPolarHBondContact O-CA 3.28Å; A630-Y753 HydrophobicContact CB-CD1 4.49Å; A630-Y753 HydrophobicContact CB-CE1 4.44Å; F632-Y753 HydrophobicContact CE1-CD1 4.38Å; F632-Y753 HydrophobicContact CE1-CD2 4.46Å; F632-Y753 AromaticContact CE1-CE1 3.91Å; F632-Y753 HydrophobicContact CE1-CE1 3.91Å; F632-Y753 HydrophobicContact CE1-CE2 4.03Å; F632-Y753 AromaticContact CE1-CZ 3.73Å; F632-Y753 HydrophobicContact CZ-CE1 4.18Å; F632-Y753 HydrophobicContact CZ-CE2 4.17Å; F632-Y753 AromaticContact CZ-CZ 3.7Å; F632-Y753 WeakPolarHBondContact CZ-OH 3.48Å; F651-Y753 HydrophobicContact CE1-CE1 4.45Å; F651-Y753 HydrophobicContact CE2-CE1 4.2Å; F651-Y753 AromaticContact CZ-CE1 3.83Å; F651-Y753 HydrophobicContact CZ-CE1 3.83Å; F651-Y753 AromaticContact CZ-CZ 3.94Å; F651-Y753 WeakPolarHBondContact CZ-OH 3.48Å; L657-Y753 HydrophobicContact CD1-CE1 3.88Å; I699-Y753 HydrophobicContact CD1-CE1 4.35Å; P700-Y753 VanDerWaalsContact O-CE2 3.25Å; P700-Y753 WeakPolarHBondContact O-CE2 3.48Å; P700-Y753 PolarHBondContact O-OH 3.02Å; P702-Y753 HydrophobicContact CG-CD2 4.01Å
754	E	90.2	Very high	72.8	Confident	40 Å²	40	61 Å²	61	19%	0.187	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.5	172.6	-177.1	179.2	-130.6	0	0	108.5	V628 R629 Q631 V756 R871 P946	V628-E754 CarbonylContact C-O 3.52Å; V628-E754 VanDerWaalsContact CA-O 3.31Å; V628-E754 WeakPolarHBondContact CA-O 3.34Å; R629-E754 HydrophobicContact CB-CB 4.45Å; R629-E754 IonicContact CZ-OE2 2.7Å; R629-E754 PolarHBondContact N-O 2.84Å; R629-E754 IonicContact NE-OE2 3.49Å; R629-E754 PolarHBondContact NE-OE2 2.92Å; R629-E754 IonicContact NH2-OE2 3.37Å; R629-E754 PolarHBondContact NH2-OE2 2.89Å; R629-E754 PolarHBondContact O-N 3.25Å; Q631-E754 HydrophobicContact CG-CB 4.3Å; E754-V756 HydrophobicContact CG-CG1 4.49Å; E754-V756 PolarHBondContact O-N 2.91Å; E754-R871 IonicContact OE1-NH2 3.98Å; E754-R871 PolarHBondContact OE1-NH2 3.24Å; E754-R871 IonicContact OE2-NH2 3.75Å; E754-R871 PolarHBondContact OE2-NH2 3.23Å; E754-P946 HydrophobicContact CG-CB 4.31Å; E754-P946 HydrophobicContact CG-CG 4.45Å; E754-P946 VanDerWaalsContact OE1-CG 3.32Å; E754-P946 WeakPolarHBondContact OE1-CG 3.32Å
755	E	90.6	Very high	75.6	Confident	98 Å²	98	62.6 Å²	62.6	46%	0.458	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.6	176.5	-159.2	-179.3	165.1	0	0	109.9	V626 V947	V626-E755 HydrophobicContact CG1-CG 4.12Å; E755-V947 HydrophobicContact CB-CB 4.36Å; E755-V947 HydrophobicContact CB-CG2 4.12Å; E755-V947 HydrophobicContact CG-CB 4.45Å; E755-V947 HydrophobicContact CG-CG2 3.8Å; E755-V947 PolarHBondContact O-N 2.97Å
756	V	90.2	Very high	78.7	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.9	-174.1	-68.1	0	0	0	0	112.3	Y627 R629 I656 E754 W944 I945	Y627-V756 PolarHBondContact O-N 3.43Å; R629-V756 HydrophobicContact CB-CG1 3.69Å; R629-V756 HydrophobicContact CB-CG2 4.23Å; I656-V756 HydrophobicContact CD1-CG2 4.11Å; I656-V756 HydrophobicContact CG2-CG2 4.42Å; E754-V756 HydrophobicContact CG-CG1 4.49Å; E754-V756 PolarHBondContact O-N 2.91Å; V756-W944 HydrophobicContact CB-CE3 4.17Å; V756-W944 HydrophobicContact CG2-CD2 4.41Å; V756-W944 HydrophobicContact CG2-CE3 3.62Å; V756-W944 HydrophobicContact CG2-CZ3 4.22Å; V756-I945 CarbonylContact C-O 3.59Å; V756-I945 WeakPolarHBondContact CA-O 3.06Å; V756-I945 WeakPolarHBondContact CB-O 3.38Å
757	V	87.7	Confident	81.4	Confident	50 Å²	50	55.7 Å²	55.7	30%	0.303	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.9	171.9	62.6	0	0	0	0	109.6	L759 I945 V947 V950	V757-L759 HydrophobicContact CG1-CD2 4.47Å; V757-L759 HydrophobicContact CG2-CD2 4.37Å; V757-I945 HydrophobicContact CG1-CG1 3.95Å; V757-I945 PolarHBondContact N-O 3.02Å; V757-I945 PolarHBondContact O-N 3.35Å; V757-V947 HydrophobicContact CB-CG2 4.22Å; V757-V947 HydrophobicContact CG1-CG2 4.46Å; V757-V950 HydrophobicContact CG1-CB 4.46Å; V757-V950 HydrophobicContact CG1-CG2 3.58Å
758	R	88.5	Confident	84.2	Confident	88 Å²	88	50.5 Å²	50.5	33%	0.332	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.3	175.3	-174	172	173.2	-95.2	3.5	109.4	P942 Q943 W944	R758-P942 HydrophobicContact CG-CB 4.32Å; R758-Q943 WeakPolarHBondContact CA-O 3.46Å; R758-W944 HydrophobicContact CB-CD2 3.82Å; R758-W944 HydrophobicContact CB-CE3 3.7Å; R758-W944 HydrophobicContact CB-CH2 3.75Å; R758-W944 HydrophobicContact CB-CZ2 3.86Å; R758-W944 HydrophobicContact CB-CZ3 3.66Å; R758-W944 HydrophobicContact CG-CD2 4.31Å; R758-W944 HydrophobicContact CG-CZ2 4.25Å
759	L	84.4	Confident	86.7	Confident	42 Å²	42	47.6 Å²	47.6	22%	0.22	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.3	170.5	-63.7	-168	0	0	0	110.4	V757 T761 F762 P942 Q943 I945 V950	V757-L759 HydrophobicContact CG1-CD2 4.47Å; V757-L759 HydrophobicContact CG2-CD2 4.37Å; L759-T761 VanDerWaalsContact C-N 3.25Å; L759-T761 PolarHBondContact O-N 2.87Å; L759-F762 HydrophobicContact CD1-CD2 3.77Å; L759-F762 HydrophobicContact CD1-CE2 4.48Å; L759-P942 VanDerWaalsContact O-CA 3.24Å; L759-P942 WeakPolarHBondContact O-CA 3.21Å; L759-Q943 PolarHBondContact N-O 2.68Å; L759-Q943 PolarHBondContact O-N 3.27Å; L759-I945 HydrophobicContact CD1-CD1 3.34Å; L759-I945 HydrophobicContact CD1-CG1 4.35Å; L759-I945 HydrophobicContact CG-CD1 3.75Å; L759-I945 HydrophobicContact CG-CG1 4.24Å; L759-V950 HydrophobicContact CD1-CG2 4.04Å
760	P	83.5	Confident	88.6	Confident	90 Å²	90	42.9 Å²	42.9	58%	0.584	21%	0.212	S	C	*	.	S	Bend	trans	-65.4	-32.6	177.4	26.6	-33.6	0	0	0	111.9	S941	P760-S941 CarbonylContact O-C 3.6Å
761	T	83.8	Confident	90.1	Very high	89 Å²	89	42 Å²	42	55%	0.546	21%	0.209	S	C	.	.			trans	-141.3	141.3	175.5	56.7	0	0	0	0	109	L759	L759-T761 VanDerWaalsContact C-N 3.25Å; L759-T761 PolarHBondContact O-N 2.87Å
762	F	87.7	Confident	91	Very high	37 Å²	37	40.7 Å²	40.7	16%	0.162	20%	0.198	C	C	.	.			trans	-152.4	131.1	174.5	-173.3	-105.1	0	0	0	110.2	L759 R764 Q943 I945 W949	L759-F762 HydrophobicContact CD1-CD2 3.77Å; L759-F762 HydrophobicContact CD1-CE2 4.48Å; F762-R764 HydrophobicContact CD1-CG 4.46Å; F762-Q943 HydrophobicContact CB-CB 4.49Å; F762-Q943 PolarHBondContact O-NE2 3.08Å; F762-I945 HydrophobicContact CD1-CD1 4.38Å; F762-I945 HydrophobicContact CD1-CG2 3.77Å; F762-I945 HydrophobicContact CD2-CD1 3.53Å; F762-I945 HydrophobicContact CE1-CD1 4.39Å; F762-I945 HydrophobicContact CE1-CG2 4.01Å; F762-I945 HydrophobicContact CE2-CD1 3.53Å; F762-I945 HydrophobicContact CG-CD1 3.96Å; F762-I945 HydrophobicContact CG-CG2 4.12Å; F762-I945 HydrophobicContact CZ-CD1 3.98Å; F762-W949 HydrophobicContact CE1-CE3 4.04Å; F762-W949 HydrophobicContact CE1-CZ3 4.33Å; F762-W949 HydrophobicContact CZ-CE3 4.06Å
763	R	88.5	Confident	91.2	Very high	164 Å²	164	44.9 Å²	44.9	62%	0.619	22%	0.22	S	C	*	.			trans	-95.1	113.4	-177.9	-175	178.3	178	174.2	0.5	110.1	G855	R763-G855 PolarHBondContact NH2-O 3.09Å
764	R	92.6	Very high	91.2	Very high	13 Å²	13	47 Å²	47	5%	0.049	25%	0.25	C	C	.	.			trans	-78.8	134.2	170.3	-59.8	-75.7	-178.8	139.8	4.4	109.5	F762 S876 P877 F878 D916 L938	F762-R764 HydrophobicContact CD1-CG 4.46Å; R764-S876 WeakPolarHBondContact CD-O 3.5Å; R764-P877 PolarHBondContact NH1-O 2.93Å; R764-F878 HydrophobicContact CB-CB 4.13Å; R764-F878 HydrophobicContact CG-CB 3.93Å; R764-F878 HydrophobicContact CG-CD2 4.39Å; R764-F878 HydrophobicContact CG-CG 4.49Å; R764-D916 IonicContact CZ-OD1 2.88Å; R764-D916 IonicContact NH1-OD1 3.46Å; R764-D916 PolarHBondContact NH1-OD1 3.02Å; R764-D916 IonicContact NH1-OD2 3.29Å; R764-D916 IonicContact NH2-OD1 3.5Å; R764-D916 PolarHBondContact NH2-OD1 3.08Å; R764-L938 HydrophobicContact CB-CD2 4.45Å; R764-L938 HydrophobicContact CG-CD2 3.89Å
765	K	94.6	Very high	91.3	Very high	84 Å²	84	45.4 Å²	45.4	37%	0.365	24%	0.243	S	C	.	.			trans	-99	-24	-179.2	-57.8	169.3	-173.1	166.2	0	113.1	H852 I857 A858 E874 Y875 S876	K765-H852 PolarHBondContact O-CD2 2.73Å; K765-H852 PolarHBondContact O-NE2 2.84Å; K765-I857 CarbonylContact O-C 3.56Å; K765-I857 VanDerWaalsContact O-CA 3.27Å; K765-I857 WeakPolarHBondContact O-CA 3.04Å; K765-A858 PolarHBondContact O-N 3.49Å; K765-E874 WeakPolarHBondContact CD-O 3.43Å; K765-E874 PolarHBondContact NZ-O 3.41Å; K765-E874 VanDerWaalsContact NZ-O 3.14Å; K765-Y875 WeakPolarHBondContact CB-O 3.38Å; K765-S876 WeakPolarHBondContact CB-OG 3.37Å; K765-S876 WeakPolarHBondContact CG-OG 3.41Å; K765-S876 PolarHBondContact N-OG 2.92Å
766	T	97.1	Very high	91.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.3	-178.7	-50.6	0	0	0	0	110.4	V768 H852 A858 L860 Y875 P877 F878	T766-V768 HydrophobicContact CG2-CG2 3.97Å; T766-H852 PolarHBondContact OG1-CE1 3.04Å; T766-H852 PolarHBondContact OG1-NE2 3.39Å; T766-A858 CarbonylContact C-O 3.54Å; T766-A858 VanDerWaalsContact CA-O 3.31Å; T766-A858 WeakPolarHBondContact CA-O 3.08Å; T766-A858 HydrophobicContact CG2-CB 4.33Å; T766-A858 WeakPolarHBondContact CG2-O 3.41Å; T766-L860 HydrophobicContact CG2-CD1 3.46Å; T766-L860 VanDerWaalsContact CG2-CD1 3.46Å; T766-L860 HydrophobicContact CG2-CG 3.78Å; T766-Y875 PolarHBondContact N-O 3.37Å; T766-Y875 PolarHBondContact OG1-O 3.09Å; T766-Y875 VanDerWaalsContact OG1-O 3.12Å; T766-P877 CarbonylContact O-C 3.59Å; T766-P877 WeakPolarHBondContact O-CA 3.49Å; T766-F878 PolarHBondContact O-N 3.05Å
767	L	97.1	Very high	91.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.3	169.8	171.9	61.5	0	0	0	108.2	L769 L784 I857 A858 I859 L860 F878 I880 I931 M935	L767-L769 HydrophobicContact CD1-CD2 4.38Å; L767-L769 HydrophobicContact CG-CD2 4.31Å; L767-L784 HydrophobicContact CD2-CD1 4.44Å; L767-I857 HydrophobicContact CB-CG2 3.96Å; L767-A858 PolarHBondContact N-O 3.38Å; L767-I859 HydrophobicContact CB-CG1 4.38Å; L767-I859 HydrophobicContact CD2-CD1 4.26Å; L767-I859 HydrophobicContact CD2-CG1 4.24Å; L767-I859 CarbonylContact O-C 3.52Å; L767-I859 WeakPolarHBondContact O-CA 3.37Å; L767-L860 PolarHBondContact O-N 3.46Å; L767-F878 HydrophobicContact CD1-CD1 4.07Å; L767-I880 HydrophobicContact CD1-CD1 3.65Å; L767-I880 HydrophobicContact CD1-CG1 3.89Å; L767-I931 HydrophobicContact CD2-CG2 4.23Å; L767-M935 HydrophobicContact CB-CE 4.4Å; L767-M935 HydrophobicContact CD1-SD 4.05Å; L767-M935 HydrophobicContact CD2-CG 4.41Å; L767-M935 HydrophobicContact CD2-SD 4.43Å
768	V	97.1	Very high	91.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.6	-179.3	-173.8	0	0	0	0	109.3	T766 L770 L860 V862 L867 L870 P877 F878 I879 I880	T766-V768 HydrophobicContact CG2-CG2 3.97Å; V768-L770 HydrophobicContact CG1-CD2 4.07Å; V768-L770 HydrophobicContact CG1-CG 4.01Å; V768-L860 WeakPolarHBondContact CA-O 3.33Å; V768-L860 HydrophobicContact CG2-CB 4.5Å; V768-V862 HydrophobicContact CG1-CG2 3.89Å; V768-L867 HydrophobicContact CG1-CD2 4.28Å; V768-L870 HydrophobicContact CG2-CD1 4.01Å; V768-P877 HydrophobicContact CG2-CB 3.85Å; V768-F878 PolarHBondContact N-O 3.06Å; V768-I879 HydrophobicContact CB-CG1 4.21Å; V768-I879 HydrophobicContact CG2-CG1 4.44Å; V768-I880 PolarHBondContact O-N 3.13Å
769	L	97	Very high	92.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	105.4	175.8	-58	-179.7	0	0	0	109.5	L767 R777 I780 K781 I859 L860 I880 I931	L767-L769 HydrophobicContact CD1-CD2 4.38Å; L767-L769 HydrophobicContact CG-CD2 4.31Å; L769-R777 WeakPolarHBondContact O-CD 3.3Å; L769-I780 HydrophobicContact CD1-CB 4.45Å; L769-I780 HydrophobicContact CD1-CG2 3.97Å; L769-K781 HydrophobicContact CD1-CB 4.17Å; L769-I859 HydrophobicContact CD1-CG2 4.08Å; L769-I859 HydrophobicContact CG-CG2 4.33Å; L769-L860 PolarHBondContact N-O 3.32Å; L769-I880 HydrophobicContact CD2-CB 4.26Å; L769-I931 HydrophobicContact CD2-CD1 4.38Å
770	L	95.3	Very high	92.7	Very high	3 Å²	3	48 Å²	48	2%	0.016	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	158.9	174.5	-64.6	-178.9	0	0	0	111	V768 V862 L867 I879 I880 F881 I882 F915	V768-L770 HydrophobicContact CG1-CD2 4.07Å; V768-L770 HydrophobicContact CG1-CG 4.01Å; L770-V862 HydrophobicContact CD2-CG2 4.48Å; L770-V862 VanDerWaalsContact CD2-O 3.28Å; L770-V862 WeakPolarHBondContact CD2-O 3.28Å; L770-L867 HydrophobicContact CD1-CD1 3.55Å; L770-L867 HydrophobicContact CD1-CD2 4.3Å; L770-L867 HydrophobicContact CD1-CG 4.1Å; L770-I879 HydrophobicContact CD1-CG2 3.8Å; L770-I879 HydrophobicContact CG-CG2 4.33Å; L770-I880 PolarHBondContact N-O 2.83Å; L770-F881 HydrophobicContact CB-CD2 4.03Å; L770-I882 PolarHBondContact O-N 2.92Å; L770-F915 HydrophobicContact CD1-CD1 4.37Å; L770-F915 HydrophobicContact CD1-CE1 3.83Å
771	G	94.1	Very high	93.3	Very high	8 Å²	8	44.2 Å²	44.2	8%	0.082	22%	0.224	C	C	.	.			trans	154.3	162.1	-178.3	0	0	0	0	0	111.2	R777 I882	G771-R777 PolarHBondContact O-NE 2.95Å; G771-R777 VanDerWaalsContact O-NE 3.13Å; G771-I882 WeakPolarHBondContact CA-O 3.22Å
772	A	93.6	Very high	93.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.			trans	-58	157.4	179.2	0	0	0	0	0	112.1	G774 V775 E903 L907	A772-G774 PolarHBondContact O-N 3.5Å; A772-V775 HydrophobicContact CB-CG1 3.91Å; A772-V775 VanDerWaalsContact O-CG2 3.27Å; A772-V775 WeakPolarHBondContact O-CG2 3.19Å; A772-V775 PolarHBondContact O-N 2.68Å; A772-E903 HydrophobicContact CB-CB 3.86Å; A772-E903 HydrophobicContact CB-CG 3.77Å; A772-L907 HydrophobicContact CB-CD1 4.36Å
773	N	90.4	Very high	94.3	Very high	106 Å²	106	42.2 Å²	42.2	57%	0.567	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	128.4	173.9	-68.4	-44	0	0	0	110.3	R777 E903	N773-R777 PolarHBondContact OD1-NH2 3.29Å; N773-E903 PolarHBondContact N-OE1 3.09Å; N773-E903 PolarHBondContact ND2-OE1 3.32Å
774	G	90.4	Very high	94.7	Very high	71 Å²	71	34.4 Å²	34.4	73%	0.732	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.6	-11.4	-179.2	0	0	0	0	0	116.2	A772 G776	A772-G774 PolarHBondContact O-N 3.5Å; G774-G776 PolarHBondContact O-N 3.24Å
775	V	93	Very high	94.9	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.036	19%	0.19	C	C	.	.	S	Bend	trans	-71.7	7	-177.7	-55.5	0	0	0	0	115.2	A772 R777 I882 L900 N921	A772-V775 HydrophobicContact CB-CG1 3.91Å; A772-V775 VanDerWaalsContact O-CG2 3.27Å; A772-V775 WeakPolarHBondContact O-CG2 3.19Å; A772-V775 PolarHBondContact O-N 2.68Å; V775-R777 HydrophobicContact CG2-CG 3.63Å; V775-I882 HydrophobicContact CB-CG2 4.26Å; V775-I882 HydrophobicContact CG2-CB 4.05Å; V775-I882 HydrophobicContact CG2-CG2 3.9Å; V775-L900 HydrophobicContact CG1-CD1 3.87Å; V775-L900 HydrophobicContact CG1-CD2 4.13Å; V775-L900 HydrophobicContact CG1-CG 3.97Å; V775-N921 PolarHBondContact O-ND2 3Å
776	G	92.8	Very high	94.9	Very high	20 Å²	20	38.8 Å²	38.8	21%	0.206	21%	0.206	C	C	.	.	S	Bend	trans	91.2	7.1	175.8	0	0	0	0	0	116.7	G774 R778 H779 I780	G774-G776 PolarHBondContact O-N 3.24Å; G776-R778 VanDerWaalsContact C-N 3.31Å; G776-R778 PolarHBondContact O-N 3.42Å; G776-H779 PolarHBondContact O-N 3.34Å; G776-I780 WeakPolarHBondContact O-CG1 3.48Å; G776-I780 PolarHBondContact O-N 3.21Å
777	R	94.4	Very high	94.9	Very high	38 Å²	38	44 Å²	44	14%	0.143	23%	0.226	C	C	.	.	H	α-helix	trans	-48.2	-47.3	-179.2	-59.6	-176.1	-69.7	113.1	-0.7	113.7	L769 G771 N773 V775 H779 I780 K781 D861	L769-R777 WeakPolarHBondContact O-CD 3.3Å; G771-R777 PolarHBondContact O-NE 2.95Å; G771-R777 VanDerWaalsContact O-NE 3.13Å; N773-R777 PolarHBondContact OD1-NH2 3.29Å; V775-R777 HydrophobicContact CG2-CG 3.63Å; R777-H779 PolarHBondContact O-N 2.84Å; R777-I780 PolarHBondContact O-N 3.4Å; R777-K781 WeakPolarHBondContact O-CB 3.35Å; R777-K781 PolarHBondContact O-N 2.99Å; R777-D861 PolarHBondContact NH1-O 3.22Å
778	R	93.1	Very high	94.8	Very high	183 Å²	183	46.3 Å²	46.3	69%	0.691	24%	0.236	S	C	*	.	H	α-helix	trans	-61.3	-42.1	178.9	175.8	178.2	-90.1	168.8	-7	112.1	G776 N782	G776-R778 VanDerWaalsContact C-N 3.31Å; G776-R778 PolarHBondContact O-N 3.42Å; R778-N782 WeakPolarHBondContact O-CB 3.42Å; R778-N782 PolarHBondContact O-N 3.01Å; R778-N782 PolarHBondContact O-ND2 2.92Å; R778-N782 PolarHBondContact O-OD1 3.02Å
779	H	94.9	Very high	94.7	Very high	96 Å²	96	49.7 Å²	49.7	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-68.6	-46.9	179.4	-177.3	89.1	0	0	0	110.8	G776 R777 K781 N782 T783 I924	G776-H779 PolarHBondContact O-N 3.34Å; R777-H779 PolarHBondContact O-N 2.84Å; H779-K781 VanDerWaalsContact C-N 3.34Å; H779-K781 PolarHBondContact O-N 3.38Å; H779-N782 PolarHBondContact O-N 3.42Å; H779-T783 WeakPolarHBondContact O-CB 3.04Å; H779-T783 PolarHBondContact O-N 3.04Å; H779-T783 PolarHBondContact O-OG1 3.43Å; H779-T783 VanDerWaalsContact O-OG1 3.04Å; H779-I924 HydrophobicContact CB-CD1 3.78Å; H779-I924 WeakPolarHBondContact CD2-CD1 3.38Å
780	I	96.5	Very high	94.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-53.8	-51.5	175.1	-65.3	165.7	0	0	0	110.6	L769 G776 R777 N782 T783 L784 I882 I924 T927 I928 I931	L769-I780 HydrophobicContact CD1-CB 4.45Å; L769-I780 HydrophobicContact CD1-CG2 3.97Å; G776-I780 WeakPolarHBondContact O-CG1 3.48Å; G776-I780 PolarHBondContact O-N 3.21Å; R777-I780 PolarHBondContact O-N 3.4Å; I780-N782 PolarHBondContact O-N 3.31Å; I780-T783 PolarHBondContact O-N 3.32Å; I780-L784 HydrophobicContact CG2-CD1 3.94Å; I780-L784 WeakPolarHBondContact O-CG 3.37Å; I780-L784 PolarHBondContact O-N 3.45Å; I780-I882 HydrophobicContact CD1-CD1 4.36Å; I780-I882 HydrophobicContact CD1-CG1 4.34Å; I780-I882 HydrophobicContact CD1-CG2 4.23Å; I780-I924 HydrophobicContact CD1-CG1 4.44Å; I780-I924 HydrophobicContact CG1-CD1 4.14Å; I780-I924 HydrophobicContact CG1-CG1 3.83Å; I780-T927 HydrophobicContact CD1-CG2 3.73Å; I780-T927 HydrophobicContact CG1-CG2 4.46Å; I780-I928 HydrophobicContact CB-CG1 4.29Å; I780-I928 HydrophobicContact CG1-CG1 4.07Å; I780-I928 HydrophobicContact CG2-CG1 4.13Å; I780-I931 HydrophobicContact CG2-CD1 3.6Å
781	K	95.9	Very high	94.6	Very high	10 Å²	10	58.3 Å²	58.3	4%	0.043	30%	0.296	C	S	.	.	H	α-helix	trans	-54.3	-53.5	177.2	176.1	-176.5	81.2	177.2	0	112.3	L769 R777 H779 T783 L784 I785 Y794 I859 D861	L769-K781 HydrophobicContact CD1-CB 4.17Å; R777-K781 WeakPolarHBondContact O-CB 3.35Å; R777-K781 PolarHBondContact O-N 2.99Å; H779-K781 VanDerWaalsContact C-N 3.34Å; H779-K781 PolarHBondContact O-N 3.38Å; K781-T783 VanDerWaalsContact C-N 3.33Å; K781-T783 PolarHBondContact O-N 3.29Å; K781-L784 PolarHBondContact O-N 3.26Å; K781-I785 HydrophobicContact CG-CD1 3.92Å; K781-I785 WeakPolarHBondContact O-CG1 3.49Å; K781-I785 PolarHBondContact O-N 3.08Å; K781-I785 VanDerWaalsContact O-N 3.09Å; K781-Y794 HydrophobicContact CD-CD2 3.51Å; K781-Y794 HydrophobicContact CD-CE2 3.78Å; K781-Y794 HydrophobicContact CD-CG 4.35Å; K781-Y794 HydrophobicContact CG-CD2 4.49Å; K781-I859 HydrophobicContact CB-CG2 4.3Å; K781-I859 HydrophobicContact CD-CG2 4.41Å; K781-I859 HydrophobicContact CG-CB 4.4Å; K781-I859 HydrophobicContact CG-CG2 3.81Å; K781-D861 HydrophobicContact CD-CB 4.3Å; K781-D861 WeakPolarHBondContact CE-OD2 3.37Å; K781-D861 IonicContact NZ-OD1 3.85Å; K781-D861 PolarHBondContact NZ-OD1 2.92Å; K781-D861 IonicContact NZ-OD2 2.79Å; K781-D861 PolarHBondContact NZ-OD2 3.33Å
782	N	95.7	Very high	94.7	Very high	67 Å²	67	58 Å²	58	36%	0.358	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-41.4	-175.7	-70.9	-6.9	0	0	0	111.2	R778 H779 I780 I785 Q786	R778-N782 WeakPolarHBondContact O-CB 3.42Å; R778-N782 PolarHBondContact O-N 3.01Å; R778-N782 PolarHBondContact O-ND2 2.92Å; R778-N782 PolarHBondContact O-OD1 3.02Å; H779-N782 PolarHBondContact O-N 3.42Å; I780-N782 PolarHBondContact O-N 3.31Å; N782-I785 PolarHBondContact O-N 2.79Å; N782-Q786 WeakPolarHBondContact O-CB 3.4Å; N782-Q786 VanDerWaalsContact O-CG 3.25Å; N782-Q786 WeakPolarHBondContact O-CG 3.45Å; N782-Q786 PolarHBondContact O-N 3.48Å
783	T	96.7	Very high	94.9	Very high	17 Å²	17	59 Å²	59	10%	0.104	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-41.4	178	-56.7	0	0	0	0	111.9	H779 I780 K781 I785 Q786 R787 I928	H779-T783 WeakPolarHBondContact O-CB 3.04Å; H779-T783 PolarHBondContact O-N 3.04Å; H779-T783 PolarHBondContact O-OG1 3.43Å; H779-T783 VanDerWaalsContact O-OG1 3.04Å; I780-T783 PolarHBondContact O-N 3.32Å; K781-T783 VanDerWaalsContact C-N 3.33Å; K781-T783 PolarHBondContact O-N 3.29Å; T783-I785 PolarHBondContact O-N 2.88Å; T783-Q786 PolarHBondContact O-N 3.4Å; T783-R787 HydrophobicContact CG2-CG 4.29Å; T783-R787 WeakPolarHBondContact O-CB 3.29Å; T783-R787 WeakPolarHBondContact O-CG 3.23Å; T783-R787 PolarHBondContact O-N 3.36Å; T783-I928 HydrophobicContact CG2-CD1 3.86Å; T783-I928 HydrophobicContact CG2-CG2 4.3Å
784	L	96.8	Very high	95.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-42.8	175.9	-72.6	170.7	0	0	0	112.4	L767 I780 K781 H788 Y792 I859 I928 I931 E932	L767-L784 HydrophobicContact CD2-CD1 4.44Å; I780-L784 HydrophobicContact CG2-CD1 3.94Å; I780-L784 WeakPolarHBondContact O-CG 3.37Å; I780-L784 PolarHBondContact O-N 3.45Å; K781-L784 PolarHBondContact O-N 3.26Å; L784-H788 PolarHBondContact O-N 2.77Å; L784-H788 VanDerWaalsContact O-N 3.09Å; L784-Y792 HydrophobicContact CB-CD2 4.43Å; L784-I859 HydrophobicContact CB-CD1 3.87Å; L784-I859 HydrophobicContact CD1-CD1 4.18Å; L784-I928 HydrophobicContact CD2-CG2 4.13Å; L784-I931 HydrophobicContact CD1-CG2 3.87Å; L784-I931 HydrophobicContact CD2-CG2 4.46Å; L784-E932 HydrophobicContact CD2-CG 3.58Å
785	I	95.9	Very high	95.4	Very high	38 Å²	38	53.8 Å²	53.8	20%	0.195	25%	0.251	C	S	.	.	H	α-helix	trans	-68	-40.4	177.9	-64.8	168.5	0	0	0	111.1	K781 N782 T783 H788 P789 I859	K781-I785 HydrophobicContact CG-CD1 3.92Å; K781-I785 WeakPolarHBondContact O-CG1 3.49Å; K781-I785 PolarHBondContact O-N 3.08Å; K781-I785 VanDerWaalsContact O-N 3.09Å; N782-I785 PolarHBondContact O-N 2.79Å; T783-I785 PolarHBondContact O-N 2.88Å; I785-H788 CarbonylContact O-C 3.59Å; I785-P789 VanDerWaalsContact O-CA 3.25Å; I785-P789 WeakPolarHBondContact O-CA 3.34Å; I785-P789 VanDerWaalsContact O-N 3.13Å; I785-I859 HydrophobicContact CG1-CD1 4.08Å
786	Q	96.2	Very high	95.5	Very high	152 Å²	152	55.6 Å²	55.6	71%	0.71	26%	0.26	S	S	*	.	H	α-helix	trans	-68.2	-38.2	178.8	-75.5	174.8	2.6	0	0	112.7	N782 T783	N782-Q786 WeakPolarHBondContact O-CB 3.4Å; N782-Q786 VanDerWaalsContact O-CG 3.25Å; N782-Q786 WeakPolarHBondContact O-CG 3.45Å; N782-Q786 PolarHBondContact O-N 3.48Å; T783-Q786 PolarHBondContact O-N 3.4Å
787	R	96.2	Very high	95.6	Very high	110 Å²	110	55.8 Å²	55.8	42%	0.415	26%	0.258	S	S	.	.	H	α-helix	trans	-73.7	-35.6	179	-73.6	-176.2	179.5	171	5.9	112.9	T783 D925 E932	T783-R787 HydrophobicContact CG2-CG 4.29Å; T783-R787 WeakPolarHBondContact O-CB 3.29Å; T783-R787 WeakPolarHBondContact O-CG 3.23Å; T783-R787 PolarHBondContact O-N 3.36Å; R787-D925 IonicContact NH2-OD1 3.96Å; R787-E932 WeakPolarHBondContact CD-OE1 3.06Å; R787-E932 IonicContact NH1-OE1 3.06Å; R787-E932 IonicContact NH1-OE2 2.81Å; R787-E932 PolarHBondContact NH1-OE2 2.72Å
788	H	95.3	Very high	95.8	Very high	48 Å²	48	55 Å²	55	22%	0.222	26%	0.255	C	S	.	.			trans	-133.8	62.9	-176	-48.2	-86.6	0	0	0	112.2	L784 I785 E790 R791 Y792 E932	L784-H788 PolarHBondContact O-N 2.77Å; L784-H788 VanDerWaalsContact O-N 3.09Å; I785-H788 CarbonylContact O-C 3.59Å; H788-E790 VanDerWaalsContact C-OE2 3.25Å; H788-E790 WeakPolarHBondContact CA-OE2 3.28Å; H788-E790 PolarHBondContact O-N 3.1Å; H788-R791 HydrophobicContact CB-CB 4.05Å; H788-R791 PolarHBondContact O-N 3.06Å; H788-Y792 HydrophobicContact CB-CD2 3.87Å; H788-Y792 HydrophobicContact CB-CE2 4.07Å; H788-Y792 PolarHBondContact O-N 3.24Å; H788-E932 IonicContact CD2-OE1 3.22Å; H788-E932 IonicContact CE1-OE1 2.76Å; H788-E932 IonicContact NE2-OE1 2.83Å; H788-E932 PolarHBondContact NE2-OE1 2.85Å
789	P	94.9	Very high	96	Very high	71 Å²	71	46.2 Å²	46.2	46%	0.461	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20	-175.2	27.6	-36.5	0	0	0	113.8	I785 R791 K856	I785-P789 VanDerWaalsContact O-CA 3.25Å; I785-P789 WeakPolarHBondContact O-CA 3.34Å; I785-P789 VanDerWaalsContact O-N 3.13Å; P789-R791 VanDerWaalsContact C-N 3.34Å; P789-K856 WeakPolarHBondContact O-CE 3.45Å; P789-K856 PolarHBondContact O-NZ 3.22Å
790	E	94.9	Very high	96.1	Very high	122 Å²	122	42.6 Å²	42.6	57%	0.57	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-25.2	173.2	75.7	-63.6	155.5	0	0	112.6	H788	H788-E790 VanDerWaalsContact C-OE2 3.25Å; H788-E790 WeakPolarHBondContact CA-OE2 3.28Å; H788-E790 PolarHBondContact O-N 3.1Å
791	R	94.6	Very high	96	Very high	61 Å²	61	43.4 Å²	43.4	23%	0.23	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-38.2	-174.7	-167.5	177	-177.7	-171.7	-0.9	113	H788 P789 K856 I857 M935	H788-R791 HydrophobicContact CB-CB 4.05Å; H788-R791 PolarHBondContact O-N 3.06Å; P789-R791 VanDerWaalsContact C-N 3.34Å; R791-K856 WeakPolarHBondContact O-CA 3.45Å; R791-I857 PolarHBondContact O-N 2.98Å; R791-M935 VanDerWaalsContact NH2-C 3.33Å; R791-M935 PolarHBondContact NH2-O 3.2Å
792	Y	96.9	Very high	95.9	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.2	-173.1	-58.9	-64.6	0	0	0	112.5	L784 H788 I857 I859 M935	L784-Y792 HydrophobicContact CB-CD2 4.43Å; H788-Y792 HydrophobicContact CB-CD2 3.87Å; H788-Y792 HydrophobicContact CB-CE2 4.07Å; H788-Y792 PolarHBondContact O-N 3.24Å; Y792-I857 WeakPolarHBondContact CA-O 3.26Å; Y792-I857 HydrophobicContact CD1-CB 3.79Å; Y792-I857 HydrophobicContact CD1-CG2 4.05Å; Y792-I857 HydrophobicContact CE1-CB 4Å; Y792-I857 HydrophobicContact CE1-CD1 4.03Å; Y792-I857 HydrophobicContact CE1-CG2 4.11Å; Y792-I859 HydrophobicContact CD1-CD1 3.64Å; Y792-I859 HydrophobicContact CD1-CG1 3.75Å; Y792-I859 HydrophobicContact CD2-CD1 4.26Å; Y792-I859 HydrophobicContact CE1-CD1 4.38Å; Y792-I859 HydrophobicContact CG-CD1 3.59Å; Y792-I859 HydrophobicContact CG-CG1 4.09Å; Y792-M935 WeakPolarHBondContact OH-CB 3.24Å
793	A	96.9	Very high	95.8	Very high	20 Å²	20	47.1 Å²	47.1	17%	0.165	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152	169.4	0	0	0	0	0	110.7	I851 K856 I857 A858 I859	A793-I851 HydrophobicContact CB-CD1 3.97Å; A793-I851 HydrophobicContact CB-CG1 4.04Å; A793-I851 HydrophobicContact CB-CG2 3.91Å; A793-K856 HydrophobicContact CB-CD 4.09Å; A793-I857 PolarHBondContact N-O 2.69Å; A793-I857 VanDerWaalsContact N-O 3.11Å; A793-A858 WeakPolarHBondContact O-CA 3.46Å; A793-I859 PolarHBondContact O-N 3.41Å
794	Y	96.3	Very high	95.7	Very high	69 Å²	69	53.5 Å²	53.5	27%	0.271	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-101.6	137	170.7	-174.8	-104.3	0	0	0	109.2	K781 I796 I859 D861	K781-Y794 HydrophobicContact CD-CD2 3.51Å; K781-Y794 HydrophobicContact CD-CE2 3.78Å; K781-Y794 HydrophobicContact CD-CG 4.35Å; K781-Y794 HydrophobicContact CG-CD2 4.49Å; Y794-I796 PolarHBondContact O-N 3.36Å; Y794-I859 WeakPolarHBondContact CD2-O 3.46Å; Y794-D861 WeakPolarHBondContact CE2-OD1 3.47Å; Y794-D861 PolarHBondContact OH-OD1 3.47Å
795	P	95.8	Very high	95.3	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-65.4	123.5	175.4	28.5	-36.2	0	0	0	110.5	P797 T843 T847 I848 I851 L860	P795-P797 WeakPolarHBondContact O-CD 3.33Å; P795-T843 HydrophobicContact CB-CG2 3.91Å; P795-T843 HydrophobicContact CG-CG2 3.63Å; P795-T847 HydrophobicContact CB-CG2 3.68Å; P795-I848 HydrophobicContact CB-CG1 4.02Å; P795-I848 HydrophobicContact CG-CG1 4.16Å; P795-I851 HydrophobicContact CB-CD1 4.06Å; P795-L860 HydrophobicContact CG-CD2 3.43Å; P795-L860 VanDerWaalsContact CG-CD2 3.43Å
796	I	94.9	Very high	95.2	Very high	43 Å²	43	70.1 Å²	70.1	22%	0.221	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-64.7	118.9	175.1	-58.7	174.1	0	0	0	108.3	Y794 G810 Y814	Y794-I796 PolarHBondContact O-N 3.36Å; I796-G810 WeakPolarHBondContact CD1-O 3.43Å; I796-Y814 HydrophobicContact CB-CD2 4.13Å; I796-Y814 HydrophobicContact CB-CE2 3.89Å; I796-Y814 HydrophobicContact CG2-CD2 3.94Å; I796-Y814 HydrophobicContact CG2-CE2 4.08Å
797	P	95.6	Very high	95.1	Very high	24 Å²	24	64.5 Å²	64.5	16%	0.156	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-71.6	155.9	-178.1	27.9	-32.1	0	0	0	111.3	P795 Y813 Y814 G842	P795-P797 WeakPolarHBondContact O-CD 3.33Å; P797-Y813 HydrophobicContact CB-CD1 4.32Å; P797-Y813 HydrophobicContact CB-CE1 4.45Å; P797-Y813 HydrophobicContact CG-CD1 3.65Å; P797-Y813 HydrophobicContact CG-CE1 3.6Å; P797-Y813 CarbonylContact O-C 3.58Å; P797-Y813 VanDerWaalsContact O-CA 3.29Å; P797-Y813 WeakPolarHBondContact O-CA 3.41Å; P797-Y814 PolarHBondContact O-N 3.27Å; P797-G842 CarbonylContact C-O 3.54Å; P797-G842 WeakPolarHBondContact CA-O 3.48Å
798	H	97.2	Very high	94.9	Very high	21 Å²	21	64 Å²	64	10%	0.097	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	148.3	170.2	-64.8	50.5	0	0	0	109.6	Y814 I816 Y830 Y841 G842 T847	H798-Y814 CarbonylContact C-O 3.49Å; H798-Y814 WeakPolarHBondContact CA-O 3.39Å; H798-Y814 AromaticContact CE1-CD2 3.46Å; H798-Y814 VanDerWaalsContact CE1-CD2 3.46Å; H798-Y814 WeakPolarHBondContact CE1-CD2 3.36Å; H798-Y814 AromaticContact CE1-CG 3.8Å; H798-Y814 AromaticContact ND1-CD2 3.85Å; H798-Y814 AromaticContact NE2-CD2 3.97Å; H798-Y814 AromaticContact NE2-CG 3.84Å; H798-I816 HydrophobicContact CB-CG2 4.19Å; H798-Y830 HydrophobicContact CB-CE1 4.04Å; H798-Y841 WeakPolarHBondContact O-CA 3.46Å; H798-G842 PolarHBondContact N-O 2.85Å; H798-G842 PolarHBondContact O-N 3.37Å; H798-T847 PolarHBondContact CE1-OG1 3.27Å
799	T	97.5	Very high	94.8	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.2	176	-171.7	0	0	0	0	112.8	R801 Y813 Y814 F815 I816 M840 Y841	T799-R801 VanDerWaalsContact C-N 3.33Å; T799-R801 HydrophobicContact CG2-CB 4.22Å; T799-R801 WeakPolarHBondContact OG1-CB 3.34Å; T799-R801 PolarHBondContact OG1-N 3.06Å; T799-R801 VanDerWaalsContact OG1-N 3.15Å; T799-Y813 HydrophobicContact CG2-CD1 3.8Å; T799-Y813 HydrophobicContact CG2-CD2 4.49Å; T799-Y813 HydrophobicContact CG2-CG 3.72Å; T799-Y814 PolarHBondContact N-O 2.66Å; T799-F815 HydrophobicContact CG2-CD1 3.53Å; T799-F815 HydrophobicContact CG2-CE1 3.69Å; T799-F815 WeakPolarHBondContact O-CA 3.46Å; T799-I816 PolarHBondContact O-N 2.99Å; T799-M840 VanDerWaalsContact CA-O 3.24Å; T799-M840 WeakPolarHBondContact CA-O 3.5Å; T799-M840 PolarHBondContact OG1-O 3.31Å; T799-M840 VanDerWaalsContact OG1-O 3.06Å; T799-Y841 HydrophobicContact CG2-CE1 4.4Å; T799-Y841 WeakPolarHBondContact OG1-CD1 3.37Å; T799-Y841 WeakPolarHBondContact OG1-CE1 3.27Å
800	T	97	Very high	94.6	Very high	20 Å²	20	64.1 Å²	64.1	12%	0.123	31%	0.314	C	S	.	.	S	Bend	trans	-89.4	-0.3	171.2	70.2	0	0	0	0	113.4	I816 H818 M821 Y839 M840	T800-I816 VanDerWaalsContact CA-O 3.28Å; T800-I816 WeakPolarHBondContact CA-O 3.46Å; T800-H818 HydrophobicContact CG2-CB 4.09Å; T800-M821 HydrophobicContact CG2-CB 3.96Å; T800-M821 HydrophobicContact CG2-CG 4.38Å; T800-M821 HydrophobicContact CG2-SD 3.59Å; T800-M821 VanDerWaalsContact CG2-SD 3.59Å; T800-Y839 WeakPolarHBondContact O-CD1 3.41Å; T800-M840 HydrophobicContact CG2-CB 3.81Å; T800-M840 HydrophobicContact CG2-CG 4.46Å; T800-M840 PolarHBondContact N-O 3.11Å; T800-M840 PolarHBondContact OG1-N 3.04Å
801	R	95.7	Very high	94.4	Very high	17 Å²	17	63.8 Å²	63.8	6%	0.064	31%	0.312	C	S	.	.	S	Bend	trans	-72.6	137.5	175.7	-175	-179.8	57.5	87.2	-10.5	109.9	T799 E807 F815 Y839 Y841	T799-R801 VanDerWaalsContact C-N 3.33Å; T799-R801 HydrophobicContact CG2-CB 4.22Å; T799-R801 WeakPolarHBondContact OG1-CB 3.34Å; T799-R801 PolarHBondContact OG1-N 3.06Å; T799-R801 VanDerWaalsContact OG1-N 3.15Å; R801-E807 IonicContact CZ-OE1 3.69Å; R801-E807 IonicContact CZ-OE2 3.33Å; R801-E807 IonicContact NH1-OE1 3.73Å; R801-E807 IonicContact NH1-OE2 2.81Å; R801-E807 PolarHBondContact NH1-OE2 3.38Å; R801-E807 IonicContact NH2-OE1 2.73Å; R801-E807 PolarHBondContact NH2-OE1 2.9Å; R801-E807 IonicContact NH2-OE2 2.97Å; R801-E807 PolarHBondContact NH2-OE2 2.97Å; R801-F815 WeakPolarHBondContact O-CD1 3.48Å; R801-Y839 VanDerWaalsContact CA-CD1 3.43Å; R801-Y839 HydrophobicContact CB-CD1 3.97Å; R801-Y839 HydrophobicContact CB-CD2 3.97Å; R801-Y839 HydrophobicContact CB-CE1 4.48Å; R801-Y839 HydrophobicContact CB-CE2 4.47Å; R801-Y839 HydrophobicContact CB-CG 3.68Å; R801-Y839 HydrophobicContact CG-CD1 4.41Å; R801-Y839 HydrophobicContact CG-CD2 3.86Å; R801-Y839 HydrophobicContact CG-CE2 3.97Å; R801-Y839 HydrophobicContact CG-CG 4.09Å; R801-Y841 WeakPolarHBondContact CD-OH 3.31Å; R801-Y841 PolarHBondContact NE-OH 3.31Å
802	P	93.5	Very high	94.2	Very high	77 Å²	77	64.8 Å²	64.8	50%	0.5	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-62.2	145.9	172.2	24.3	-33.2	0	0	0	112.3
803	P	93.9	Very high	94.2	Very high	78 Å²	78	67.8 Å²	67.8	51%	0.506	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-62.4	136.7	177.7	23.9	-32.5	0	0	0	111.7	F815	P803-F815 HydrophobicContact CB-CD1 4.26Å; P803-F815 HydrophobicContact CB-CD2 3.97Å; P803-F815 HydrophobicContact CB-CE1 3.95Å; P803-F815 HydrophobicContact CB-CE2 3.67Å; P803-F815 HydrophobicContact CB-CG 4.25Å; P803-F815 HydrophobicContact CB-CZ 3.64Å; P803-F815 HydrophobicContact CG-CD2 4.45Å; P803-F815 HydrophobicContact CG-CG 4.48Å
804	R	93.6	Very high	94.2	Very high	150 Å²	150	71 Å²	71	57%	0.566	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-75.2	165.3	168.2	-70.6	162.6	-175.3	174.9	1.6	110.2	D806 E807	R804-D806 PolarHBondContact O-N 3.32Å; R804-E807 HydrophobicContact CB-CB 4.48Å; R804-E807 HydrophobicContact CB-CG 3.98Å; R804-E807 WeakPolarHBondContact CB-OE2 3.4Å; R804-E807 PolarHBondContact N-OE2 3.16Å; R804-E807 PolarHBondContact O-N 3.46Å
805	R	89.5	Confident	94.2	Very high	251 Å²	251	69.7 Å²	69.7	95%	0.947	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-25	-176.1	-67.9	-177.2	-179.4	179.5	0.3	114.3
806	D	92.3	Very high	94.2	Very high	136 Å²	136	71.2 Å²	71.2	73%	0.727	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	0.7	-172.7	-21.6	-44.2	0	0	0	111.7	R804	R804-D806 PolarHBondContact O-N 3.32Å
807	E	94	Very high	94.2	Very high	34 Å²	34	75.5 Å²	75.5	16%	0.159	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-98.2	126.6	-176.6	-68.8	176.5	152.5	0	0	111	R801 R804 H812 F815	R801-E807 IonicContact CZ-OE1 3.69Å; R801-E807 IonicContact CZ-OE2 3.33Å; R801-E807 IonicContact NH1-OE1 3.73Å; R801-E807 IonicContact NH1-OE2 2.81Å; R801-E807 PolarHBondContact NH1-OE2 3.38Å; R801-E807 IonicContact NH2-OE1 2.73Å; R801-E807 PolarHBondContact NH2-OE1 2.9Å; R801-E807 IonicContact NH2-OE2 2.97Å; R801-E807 PolarHBondContact NH2-OE2 2.97Å; R804-E807 HydrophobicContact CB-CB 4.48Å; R804-E807 HydrophobicContact CB-CG 3.98Å; R804-E807 WeakPolarHBondContact CB-OE2 3.4Å; R804-E807 PolarHBondContact N-OE2 3.16Å; R804-E807 PolarHBondContact O-N 3.46Å; E807-H812 HydrophobicContact CB-CB 4.46Å; E807-H812 HydrophobicContact CG-CB 4.44Å; E807-F815 HydrophobicContact CB-CE2 4.35Å; E807-F815 HydrophobicContact CB-CZ 3.92Å
808	I	92.4	Very high	94.1	Very high	101 Å²	101	79 Å²	79	52%	0.518	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-102.4	129.7	177.2	-62	165.9	0	0	0	109.3	Q811 H812	I808-Q811 HydrophobicContact CB-CB 4.07Å; I808-Q811 VanDerWaalsContact CD1-OE1 3.27Å; I808-Q811 HydrophobicContact CG2-CB 4.19Å; I808-Q811 PolarHBondContact O-N 3.41Å; I808-Q811 VanDerWaalsContact O-N 3.14Å; I808-H812 PolarHBondContact N-ND1 3.02Å; I808-H812 VanDerWaalsContact N-ND1 3.18Å; I808-H812 PolarHBondContact O-N 3.16Å; I808-H812 VanDerWaalsContact O-N 3.12Å
809	D	93.6	Very high	93.9	Very high	98 Å²	98	85.7 Å²	85.7	52%	0.524	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-60.1	136	174.6	-172.8	44.9	0	0	0	111.4	Q811 Y814 F815	D809-Q811 PolarHBondContact O-N 2.95Å; D809-Y814 WeakPolarHBondContact OD1-CA 3.42Å; D809-F815 HydrophobicContact CB-CD2 3.78Å; D809-F815 HydrophobicContact CB-CE2 4.38Å; D809-F815 WeakPolarHBondContact OD1-CD2 3.43Å; D809-F815 PolarHBondContact OD1-N 3.32Å
810	G	91	Very high	93.8	Very high	23 Å²	23	87.7 Å²	87.7	24%	0.237	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	3	-174.5	0	0	0	0	0	115.2	I796 Y813 Y814	I796-G810 WeakPolarHBondContact CD1-O 3.43Å; G810-Y813 PolarHBondContact N-O 3.07Å; G810-Y814 VanDerWaalsContact CA-CE1 3.41Å
811	Q	89.4	Confident	93.7	Very high	115 Å²	115	86.7 Å²	86.7	54%	0.537	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-46.7	172	-172.7	177.9	16	0	0	112.3	I808 D809	I808-Q811 HydrophobicContact CB-CB 4.07Å; I808-Q811 VanDerWaalsContact CD1-OE1 3.27Å; I808-Q811 HydrophobicContact CG2-CB 4.19Å; I808-Q811 PolarHBondContact O-N 3.41Å; I808-Q811 VanDerWaalsContact O-N 3.14Å; D809-Q811 PolarHBondContact O-N 2.95Å
812	H	92	Very high	93.6	Very high	81 Å²	81	89 Å²	89	38%	0.375	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-48.1	-179.1	-61.7	81.7	0	0	0	111.2	E807 I808	E807-H812 HydrophobicContact CB-CB 4.46Å; E807-H812 HydrophobicContact CG-CB 4.44Å; I808-H812 PolarHBondContact N-ND1 3.02Å; I808-H812 VanDerWaalsContact N-ND1 3.18Å; I808-H812 PolarHBondContact O-N 3.16Å; I808-H812 VanDerWaalsContact O-N 3.12Å
813	Y	96	Very high	93.6	Very high	65 Å²	65	87.8 Å²	87.8	26%	0.255	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-143.5	159.3	173.3	-66.1	-90	0	0	0	108.2	P797 T799 G810 F815 Y841	P797-Y813 HydrophobicContact CB-CD1 4.32Å; P797-Y813 HydrophobicContact CB-CE1 4.45Å; P797-Y813 HydrophobicContact CG-CD1 3.65Å; P797-Y813 HydrophobicContact CG-CE1 3.6Å; P797-Y813 CarbonylContact O-C 3.58Å; P797-Y813 VanDerWaalsContact O-CA 3.29Å; P797-Y813 WeakPolarHBondContact O-CA 3.41Å; T799-Y813 HydrophobicContact CG2-CD1 3.8Å; T799-Y813 HydrophobicContact CG2-CD2 4.49Å; T799-Y813 HydrophobicContact CG2-CG 3.72Å; G810-Y813 PolarHBondContact N-O 3.07Å; Y813-F815 HydrophobicContact CD2-CE1 4.4Å; Y813-F815 HydrophobicContact CD2-CZ 4.24Å; Y813-F815 HydrophobicContact CG-CE1 4.44Å; Y813-F815 HydrophobicContact CG-CZ 4.49Å; Y813-Y841 HydrophobicContact CD1-CD1 4.34Å; Y813-Y841 HydrophobicContact CD1-CE1 4.42Å; Y813-Y841 AromaticContact CE1-CD1 3.86Å; Y813-Y841 HydrophobicContact CE1-CD1 3.86Å; Y813-Y841 AromaticContact CE1-CE1 3.87Å; Y813-Y841 HydrophobicContact CE1-CE1 3.87Å
814	Y	96.2	Very high	93.7	Very high	87 Å²	87	85.7 Å²	85.7	34%	0.341	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	113.8	156.2	-72.2	-75.4	0	0	0	108.3	I796 P797 H798 T799 D809 G810 T847	I796-Y814 HydrophobicContact CB-CD2 4.13Å; I796-Y814 HydrophobicContact CB-CE2 3.89Å; I796-Y814 HydrophobicContact CG2-CD2 3.94Å; I796-Y814 HydrophobicContact CG2-CE2 4.08Å; P797-Y814 PolarHBondContact O-N 3.27Å; H798-Y814 CarbonylContact C-O 3.49Å; H798-Y814 WeakPolarHBondContact CA-O 3.39Å; H798-Y814 AromaticContact CE1-CD2 3.46Å; H798-Y814 VanDerWaalsContact CE1-CD2 3.46Å; H798-Y814 WeakPolarHBondContact CE1-CD2 3.36Å; H798-Y814 AromaticContact CE1-CG 3.8Å; H798-Y814 AromaticContact ND1-CD2 3.85Å; H798-Y814 AromaticContact NE2-CD2 3.97Å; H798-Y814 AromaticContact NE2-CG 3.84Å; T799-Y814 PolarHBondContact N-O 2.66Å; D809-Y814 WeakPolarHBondContact OD1-CA 3.42Å; G810-Y814 VanDerWaalsContact CA-CE1 3.41Å; Y814-T847 HydrophobicContact CE2-CG2 4.35Å
815	F	96.6	Very high	93.5	Very high	42 Å²	42	79.3 Å²	79.3	18%	0.184	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.6	-178.7	-61.7	-73.8	0	0	0	109.4	T799 R801 P803 E807 D809 Y813	T799-F815 HydrophobicContact CG2-CD1 3.53Å; T799-F815 HydrophobicContact CG2-CE1 3.69Å; T799-F815 WeakPolarHBondContact O-CA 3.46Å; R801-F815 WeakPolarHBondContact O-CD1 3.48Å; P803-F815 HydrophobicContact CB-CD1 4.26Å; P803-F815 HydrophobicContact CB-CD2 3.97Å; P803-F815 HydrophobicContact CB-CE1 3.95Å; P803-F815 HydrophobicContact CB-CE2 3.67Å; P803-F815 HydrophobicContact CB-CG 4.25Å; P803-F815 HydrophobicContact CB-CZ 3.64Å; P803-F815 HydrophobicContact CG-CD2 4.45Å; P803-F815 HydrophobicContact CG-CG 4.48Å; E807-F815 HydrophobicContact CB-CE2 4.35Å; E807-F815 HydrophobicContact CB-CZ 3.92Å; D809-F815 HydrophobicContact CB-CD2 3.78Å; D809-F815 HydrophobicContact CB-CE2 4.38Å; D809-F815 WeakPolarHBondContact OD1-CD2 3.43Å; D809-F815 PolarHBondContact OD1-N 3.32Å; Y813-F815 HydrophobicContact CD2-CE1 4.4Å; Y813-F815 HydrophobicContact CD2-CZ 4.24Å; Y813-F815 HydrophobicContact CG-CE1 4.44Å; Y813-F815 HydrophobicContact CG-CZ 4.49Å
816	I	95.8	Very high	93.5	Very high	32 Å²	32	75 Å²	75	16%	0.164	38%	0.38	C	S	.	.			trans	-131.5	147.5	-174.1	-173.9	168.4	0	0	0	110.8	H798 T799 T800 A820 M821	H798-I816 HydrophobicContact CB-CG2 4.19Å; T799-I816 PolarHBondContact O-N 2.99Å; T800-I816 VanDerWaalsContact CA-O 3.28Å; T800-I816 WeakPolarHBondContact CA-O 3.46Å; I816-A820 HydrophobicContact CD1-CB 3.9Å; I816-A820 HydrophobicContact CG1-CB 3.79Å; I816-M821 HydrophobicContact CD1-CB 4.49Å; I816-M821 HydrophobicContact CG2-CB 3.99Å; I816-M821 HydrophobicContact CG2-CG 4.39Å; I816-M821 HydrophobicContact CG2-SD 4.13Å
817	D	94.6	Very high	93.4	Very high	133 Å²	133	74.7 Å²	74.7	71%	0.711	37%	0.373	S	S	*	.			trans	-66	146.2	174.8	-70.9	-40	0	0	0	112.3	E819 A820 M821	D817-E819 VanDerWaalsContact C-N 3.32Å; D817-E819 PolarHBondContact O-N 2.83Å; D817-A820 HydrophobicContact CB-CB 4.36Å; D817-A820 PolarHBondContact O-N 2.85Å; D817-A820 VanDerWaalsContact O-N 3.16Å; D817-M821 PolarHBondContact O-N 3.01Å
818	H	94.2	Very high	93.2	Very high	97 Å²	97	79.4 Å²	79.4	45%	0.449	40%	0.399	S	S	.	.	H	α-helix	trans	-57.7	-40.9	-176.3	-177.6	-84.6	0	0	0	113.5	T800 L822	T800-H818 HydrophobicContact CG2-CB 4.09Å; H818-L822 VanDerWaalsContact CE1-CD1 3.41Å; H818-L822 WeakPolarHBondContact CE1-CD1 3.39Å; H818-L822 WeakPolarHBondContact O-CG 3.4Å; H818-L822 PolarHBondContact O-N 3.4Å; H818-L822 VanDerWaalsContact O-N 3.12Å
819	E	93.1	Very high	93.3	Very high	162 Å²	162	77.3 Å²	77.3	76%	0.757	39%	0.387	S	S	*	.	H	α-helix	trans	-68.2	-40.5	178	-173.2	174.3	-175.4	0	0	112.2	D817 L822 S823	D817-E819 VanDerWaalsContact C-N 3.32Å; D817-E819 PolarHBondContact O-N 2.83Å; E819-L822 PolarHBondContact O-N 3.19Å; E819-S823 PolarHBondContact O-N 3.07Å
820	A	94.5	Very high	93.3	Very high	42 Å²	42	73.1 Å²	73.1	35%	0.347	36%	0.364	S	S	.	.	H	α-helix	trans	-63.2	-45.8	176.5	0	0	0	0	0	110.9	I816 D817 L822 S823 E824	I816-A820 HydrophobicContact CD1-CB 3.9Å; I816-A820 HydrophobicContact CG1-CB 3.79Å; D817-A820 HydrophobicContact CB-CB 4.36Å; D817-A820 PolarHBondContact O-N 2.85Å; D817-A820 VanDerWaalsContact O-N 3.16Å; A820-L822 PolarHBondContact O-N 3.15Å; A820-S823 WeakPolarHBondContact O-CB 3.25Å; A820-S823 PolarHBondContact O-N 2.85Å; A820-E824 WeakPolarHBondContact O-CG 3.49Å; A820-E824 PolarHBondContact O-N 3.48Å
821	M	95.8	Very high	93.4	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.4	-41.8	176.8	-171.4	166.4	-176.3	0	0	112.5	T800 I816 D817 E824 V825 Y830 M840 Y841	T800-M821 HydrophobicContact CG2-CB 3.96Å; T800-M821 HydrophobicContact CG2-CG 4.38Å; T800-M821 HydrophobicContact CG2-SD 3.59Å; T800-M821 VanDerWaalsContact CG2-SD 3.59Å; I816-M821 HydrophobicContact CD1-CB 4.49Å; I816-M821 HydrophobicContact CG2-CB 3.99Å; I816-M821 HydrophobicContact CG2-CG 4.39Å; I816-M821 HydrophobicContact CG2-SD 4.13Å; D817-M821 PolarHBondContact O-N 3.01Å; M821-E824 PolarHBondContact O-N 3.45Å; M821-V825 VanDerWaalsContact O-CG2 3.31Å; M821-V825 WeakPolarHBondContact O-CG2 3.46Å; M821-V825 PolarHBondContact O-N 2.83Å; M821-Y830 HydrophobicContact CE-CD1 4.32Å; M821-Y830 HydrophobicContact CE-CE1 3.73Å; M821-Y830 HydrophobicContact CG-CE2 4.37Å; M821-M840 HydrophobicContact CE-CB 4.01Å; M821-M840 HydrophobicContact CG-CE 4.49Å; M821-M840 HydrophobicContact SD-CB 3.57Å; M821-M840 VanDerWaalsContact SD-CB 3.57Å; M821-Y841 VanDerWaalsContact CE-C 3.45Å
822	L	93.3	Very high	93.5	Very high	66 Å²	66	69.8 Å²	69.8	35%	0.346	34%	0.342	S	S	.	.	H	α-helix	trans	-64.1	-39.4	176	-77	174.2	0	0	0	112.9	H818 E819 A820 V825 Q826 M840	H818-L822 VanDerWaalsContact CE1-CD1 3.41Å; H818-L822 WeakPolarHBondContact CE1-CD1 3.39Å; H818-L822 WeakPolarHBondContact O-CG 3.4Å; H818-L822 PolarHBondContact O-N 3.4Å; H818-L822 VanDerWaalsContact O-N 3.12Å; E819-L822 PolarHBondContact O-N 3.19Å; A820-L822 PolarHBondContact O-N 3.15Å; L822-V825 PolarHBondContact O-N 3.25Å; L822-Q826 WeakPolarHBondContact O-CG 3.47Å; L822-Q826 PolarHBondContact O-N 2.92Å; L822-M840 HydrophobicContact CD2-CE 3.77Å; L822-M840 HydrophobicContact CD2-SD 3.77Å; L822-M840 HydrophobicContact CG-CE 4.45Å; L822-M840 HydrophobicContact CG-SD 3.96Å
823	S	93.8	Very high	93.5	Very high	50 Å²	50	72.4 Å²	72.4	35%	0.35	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-44.9	175.7	-176.2	0	0	0	0	111.5	E819 A820 Q826 K827	E819-S823 PolarHBondContact O-N 3.07Å; A820-S823 WeakPolarHBondContact O-CB 3.25Å; A820-S823 PolarHBondContact O-N 2.85Å; S823-Q826 PolarHBondContact O-N 3.42Å; S823-K827 WeakPolarHBondContact O-CG 3.44Å; S823-K827 PolarHBondContact O-N 3.03Å
824	E	95.1	Very high	93.3	Very high	35 Å²	35	71 Å²	71	16%	0.164	36%	0.355	C	S	.	.	H	α-helix	trans	-67	-36.6	177	-68.3	-175.3	160.9	0	0	112.8	A820 M821 K827 N828 E829 Y830 K844	A820-E824 WeakPolarHBondContact O-CG 3.49Å; A820-E824 PolarHBondContact O-N 3.48Å; M821-E824 PolarHBondContact O-N 3.45Å; E824-K827 PolarHBondContact O-N 3.19Å; E824-N828 PolarHBondContact O-N 2.86Å; E824-E829 HydrophobicContact CB-CB 4.39Å; E824-E829 PolarHBondContact O-N 3.28Å; E824-E829 VanDerWaalsContact O-N 3.14Å; E824-Y830 HydrophobicContact CB-CD2 4.21Å; E824-Y830 HydrophobicContact CB-CE2 3.58Å; E824-Y830 VanDerWaalsContact OE2-CE2 3.28Å; E824-Y830 WeakPolarHBondContact OE2-CE2 3.01Å; E824-Y830 PolarHBondContact OE2-OH 3.19Å; E824-K844 IonicContact OE1-NZ 3.66Å; E824-K844 PolarHBondContact OE1-NZ 2.81Å; E824-K844 IonicContact OE2-NZ 2.93Å; E824-K844 PolarHBondContact OE2-NZ 2.76Å
825	V	89.9	Confident	93.1	Very high	16 Å²	16	72.3 Å²	72.3	10%	0.097	37%	0.372	C	S	.	.	H	α-helix	trans	-61.2	-43.9	172.2	164.2	0	0	0	0	111.1	M821 L822 K827 N828 Y830 Y833	M821-V825 VanDerWaalsContact O-CG2 3.31Å; M821-V825 WeakPolarHBondContact O-CG2 3.46Å; M821-V825 PolarHBondContact O-N 2.83Å; L822-V825 PolarHBondContact O-N 3.25Å; V825-K827 PolarHBondContact O-N 3.46Å; V825-N828 PolarHBondContact O-N 3.15Å; V825-Y830 HydrophobicContact CG2-CD2 3.67Å; V825-Y830 HydrophobicContact CG2-CE2 4.18Å; V825-Y830 HydrophobicContact CG2-CG 4.12Å; V825-Y833 HydrophobicContact CG1-CD1 3.98Å; V825-Y833 HydrophobicContact CG1-CD2 4.24Å; V825-Y833 HydrophobicContact CG1-CE1 3.47Å; V825-Y833 VanDerWaalsContact CG1-CE1 3.47Å; V825-Y833 HydrophobicContact CG1-CE2 3.76Å; V825-Y833 HydrophobicContact CG1-CG 4.35Å; V825-Y833 HydrophobicContact CG2-CD1 3.93Å; V825-Y833 HydrophobicContact CG2-CD2 4.13Å; V825-Y833 HydrophobicContact CG2-CE1 4.29Å; V825-Y833 HydrophobicContact CG2-CE2 4.47Å; V825-Y833 HydrophobicContact CG2-CG 3.85Å
826	Q	89.4	Confident	92.8	Very high	160 Å²	160	75.6 Å²	75.6	75%	0.748	39%	0.388	S	S	*	.	H	α-helix	trans	-63.6	-24.2	176.6	-71.5	175.9	14	0	0	113.2	L822 S823 N828	L822-Q826 WeakPolarHBondContact O-CG 3.47Å; L822-Q826 PolarHBondContact O-N 2.92Å; S823-Q826 PolarHBondContact O-N 3.42Å; Q826-N828 VanDerWaalsContact C-N 3.32Å
827	K	89.7	Confident	92.5	Very high	129 Å²	129	80.2 Å²	80.2	56%	0.561	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	2.1	174.7	-66.8	170.5	-174.7	173.5	0	113.6	S823 E824 V825 E829	S823-K827 WeakPolarHBondContact O-CG 3.44Å; S823-K827 PolarHBondContact O-N 3.03Å; E824-K827 PolarHBondContact O-N 3.19Å; V825-K827 PolarHBondContact O-N 3.46Å; K827-E829 VanDerWaalsContact C-N 3.33Å; K827-E829 HydrophobicContact CB-CG 4Å; K827-E829 PolarHBondContact O-N 3.5Å
828	N	90.5	Very high	92.3	Very high	134 Å²	134	81.5 Å²	81.5	72%	0.717	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	35.1	-175.1	-55.7	-59.1	0	0	0	113.9	E824 V825 Q826 Y830	E824-N828 PolarHBondContact O-N 2.86Å; V825-N828 PolarHBondContact O-N 3.15Å; Q826-N828 VanDerWaalsContact C-N 3.32Å; N828-Y830 VanDerWaalsContact C-N 3.34Å
829	E	94	Very high	92.4	Very high	56 Å²	56	81 Å²	81	26%	0.262	41%	0.411	S	S	.	.			trans	-82.7	-11.6	179.3	-64.8	-176.3	-172.8	0	0	113.6	E824 K827 K844 L845	E824-E829 HydrophobicContact CB-CB 4.39Å; E824-E829 PolarHBondContact O-N 3.28Å; E824-E829 VanDerWaalsContact O-N 3.14Å; K827-E829 VanDerWaalsContact C-N 3.33Å; K827-E829 HydrophobicContact CB-CG 4Å; K827-E829 PolarHBondContact O-N 3.5Å; E829-K844 HydrophobicContact CB-CG 4.5Å; E829-K844 WeakPolarHBondContact O-CG 3.47Å; E829-K844 WeakPolarHBondContact OE2-CE 3.44Å; E829-K844 IonicContact OE2-NZ 2.7Å; E829-K844 PolarHBondContact OE2-NZ 3.14Å; E829-L845 WeakPolarHBondContact O-CB 3.27Å; E829-L845 WeakPolarHBondContact O-CG 3.44Å; E829-L845 PolarHBondContact O-N 3.06Å
830	Y	93.7	Very high	92.5	Very high	11 Å²	11	73.8 Å²	73.8	4%	0.043	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.9	-179.8	-75.2	-96.6	0	0	0	111.6	H798 M821 E824 V825 N828 K844	H798-Y830 HydrophobicContact CB-CE1 4.04Å; M821-Y830 HydrophobicContact CE-CD1 4.32Å; M821-Y830 HydrophobicContact CE-CE1 3.73Å; M821-Y830 HydrophobicContact CG-CE2 4.37Å; E824-Y830 HydrophobicContact CB-CD2 4.21Å; E824-Y830 HydrophobicContact CB-CE2 3.58Å; E824-Y830 VanDerWaalsContact OE2-CE2 3.28Å; E824-Y830 WeakPolarHBondContact OE2-CE2 3.01Å; E824-Y830 PolarHBondContact OE2-OH 3.19Å; V825-Y830 HydrophobicContact CG2-CD2 3.67Å; V825-Y830 HydrophobicContact CG2-CE2 4.18Å; V825-Y830 HydrophobicContact CG2-CG 4.12Å; N828-Y830 VanDerWaalsContact C-N 3.34Å; Y830-K844 HydrophobicContact CD1-CB 4.34Å; Y830-K844 HydrophobicContact CE1-CB 4.08Å
831	L	93.4	Very high	92.6	Very high	12 Å²	12	73.9 Å²	73.9	6%	0.063	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-46.8	170.7	177.6	65	0	0	0	110.9	T843 L845 I848 L860 V862 A866 I869 L870	L831-T843 WeakPolarHBondContact CB-O 3.49Å; L831-T843 PolarHBondContact N-O 3.23Å; L831-L845 HydrophobicContact CB-CD2 3.8Å; L831-L845 HydrophobicContact CD1-CD2 4.07Å; L831-I848 HydrophobicContact CB-CD1 4.43Å; L831-I848 HydrophobicContact CD2-CD1 3.73Å; L831-L860 HydrophobicContact CD2-CD1 4.15Å; L831-V862 HydrophobicContact CD2-CG1 3.84Å; L831-A866 HydrophobicContact CD1-CB 4.01Å; L831-A866 HydrophobicContact CD2-CB 4.41Å; L831-A866 HydrophobicContact CG-CB 4.1Å; L831-I869 HydrophobicContact CD1-CB 3.91Å; L831-I869 HydrophobicContact CD1-CD1 4.32Å; L831-I869 HydrophobicContact CD1-CG2 4.01Å; L831-L870 HydrophobicContact CD1-CD1 4.4Å; L831-L870 HydrophobicContact CD1-CD2 3.92Å; L831-L870 HydrophobicContact CD1-CG 3.79Å; L831-L870 HydrophobicContact CD2-CD1 4.11Å; L831-L870 HydrophobicContact CD2-CD2 3.99Å; L831-L870 HydrophobicContact CD2-CG 4.2Å
832	E	92	Very high	92.5	Very high	55 Å²	55	74.1 Å²	74.1	26%	0.257	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148.5	176.7	62.6	-176.4	-172.5	0	0	108.4	G842 T843 V862 E863	E832-G842 CarbonylContact O-C 3.5Å; E832-G842 VanDerWaalsContact O-CA 3.23Å; E832-G842 WeakPolarHBondContact O-CA 3.23Å; E832-T843 PolarHBondContact O-N 3.34Å; E832-V862 WeakPolarHBondContact OE2-CB 3.49Å; E832-E863 PolarHBondContact OE2-N 3.32Å
833	Y	92.8	Very high	92.6	Very high	137 Å²	137	71.2 Å²	71.2	54%	0.537	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.3	175.5	64.8	-86.1	0	0	0	109.6	V825 M840 Y841	V825-Y833 HydrophobicContact CG1-CD1 3.98Å; V825-Y833 HydrophobicContact CG1-CD2 4.24Å; V825-Y833 HydrophobicContact CG1-CE1 3.47Å; V825-Y833 VanDerWaalsContact CG1-CE1 3.47Å; V825-Y833 HydrophobicContact CG1-CE2 3.76Å; V825-Y833 HydrophobicContact CG1-CG 4.35Å; V825-Y833 HydrophobicContact CG2-CD1 3.93Å; V825-Y833 HydrophobicContact CG2-CD2 4.13Å; V825-Y833 HydrophobicContact CG2-CE1 4.29Å; V825-Y833 HydrophobicContact CG2-CE2 4.47Å; V825-Y833 HydrophobicContact CG2-CG 3.85Å; Y833-M840 HydrophobicContact CD2-CE 4.15Å; Y833-Y841 CarbonylContact C-O 3.53Å; Y833-Y841 VanDerWaalsContact CA-O 3.24Å; Y833-Y841 WeakPolarHBondContact CA-O 3.31Å
834	G	91.1	Very high	92.7	Very high	35 Å²	35	69.9 Å²	69.9	36%	0.361	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	178.1	179.6	0	0	0	0	0	111.6	M840 Y841	G834-M840 CarbonylContact O-C 3.59Å; G834-M840 WeakPolarHBondContact O-CA 3.41Å; G834-Y841 PolarHBondContact N-O 3.26Å; G834-Y841 PolarHBondContact O-N 3.16Å
835	T	92.5	Very high	92.7	Very high	115 Å²	115	68.9 Å²	68.9	71%	0.706	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	142	178.9	50.7	0	0	0	0	110.9	Y839 M840	T835-Y839 CarbonylContact C-O 3.54Å; T835-Y839 WeakPolarHBondContact CA-O 3.49Å; T835-M840 HydrophobicContact CG2-CG 3.95Å
836	H	90.4	Very high	93	Very high	110 Å²	110	71.2 Å²	71.2	51%	0.509	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	126.4	174.2	-179	-87.9	0	0	0	109.8	D838 Y839 Y841	H836-D838 VanDerWaalsContact C-N 3.31Å; H836-D838 PolarHBondContact O-N 3.39Å; H836-Y839 PolarHBondContact N-O 3.19Å; H836-Y839 PolarHBondContact O-N 3.21Å; H836-Y839 VanDerWaalsContact O-N 3.08Å; H836-Y841 HydrophobicContact CB-CD2 3.95Å; H836-Y841 HydrophobicContact CB-CE2 3.82Å
837	E	89.4	Confident	93.3	Very high	130 Å²	130	64.2 Å²	64.2	61%	0.607	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	49.4	-176.7	-66.6	176.7	161.3	0	0	112.6	Y839	E837-Y839 WeakPolarHBondContact O-CD2 3.41Å; E837-Y839 PolarHBondContact O-N 3Å
838	D	89.5	Confident	93.6	Very high	159 Å²	159	58.1 Å²	58.1	85%	0.85	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	0.5	-178.4	-54.9	-39.8	0	0	0	116.4	H836	H836-D838 VanDerWaalsContact C-N 3.31Å; H836-D838 PolarHBondContact O-N 3.39Å
839	Y	95.9	Very high	93.9	Very high	87 Å²	87	55.2 Å²	55.2	34%	0.341	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	148.6	173.6	-58.7	-71.3	0	0	0	111.5	T800 R801 T835 H836 E837	T800-Y839 WeakPolarHBondContact O-CD1 3.41Å; R801-Y839 VanDerWaalsContact CA-CD1 3.43Å; R801-Y839 HydrophobicContact CB-CD1 3.97Å; R801-Y839 HydrophobicContact CB-CD2 3.97Å; R801-Y839 HydrophobicContact CB-CE1 4.48Å; R801-Y839 HydrophobicContact CB-CE2 4.47Å; R801-Y839 HydrophobicContact CB-CG 3.68Å; R801-Y839 HydrophobicContact CG-CD1 4.41Å; R801-Y839 HydrophobicContact CG-CD2 3.86Å; R801-Y839 HydrophobicContact CG-CE2 3.97Å; R801-Y839 HydrophobicContact CG-CG 4.09Å; T835-Y839 CarbonylContact C-O 3.54Å; T835-Y839 WeakPolarHBondContact CA-O 3.49Å; H836-Y839 PolarHBondContact N-O 3.19Å; H836-Y839 PolarHBondContact O-N 3.21Å; H836-Y839 VanDerWaalsContact O-N 3.08Å; E837-Y839 WeakPolarHBondContact O-CD2 3.41Å; E837-Y839 PolarHBondContact O-N 3Å
840	M	96	Very high	94	Very high	10 Å²	10	54.4 Å²	54.4	5%	0.049	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	146.7	173.8	-62.8	-179.5	72.5	0	0	110.7	T799 T800 M821 L822 Y833 G834 T835	T799-M840 VanDerWaalsContact CA-O 3.24Å; T799-M840 WeakPolarHBondContact CA-O 3.5Å; T799-M840 PolarHBondContact OG1-O 3.31Å; T799-M840 VanDerWaalsContact OG1-O 3.06Å; T800-M840 HydrophobicContact CG2-CB 3.81Å; T800-M840 HydrophobicContact CG2-CG 4.46Å; T800-M840 PolarHBondContact N-O 3.11Å; T800-M840 PolarHBondContact OG1-N 3.04Å; M821-M840 HydrophobicContact CE-CB 4.01Å; M821-M840 HydrophobicContact CG-CE 4.49Å; M821-M840 HydrophobicContact SD-CB 3.57Å; M821-M840 VanDerWaalsContact SD-CB 3.57Å; L822-M840 HydrophobicContact CD2-CE 3.77Å; L822-M840 HydrophobicContact CD2-SD 3.77Å; L822-M840 HydrophobicContact CG-CE 4.45Å; L822-M840 HydrophobicContact CG-SD 3.96Å; Y833-M840 HydrophobicContact CD2-CE 4.15Å; G834-M840 CarbonylContact O-C 3.59Å; G834-M840 WeakPolarHBondContact O-CA 3.41Å; T835-M840 HydrophobicContact CG2-CG 3.95Å
841	Y	95.9	Very high	94.2	Very high	44 Å²	44	54.7 Å²	54.7	17%	0.173	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.9	174.5	-64.6	-97.3	0	0	0	109	H798 T799 R801 Y813 M821 Y833 G834 H836	H798-Y841 WeakPolarHBondContact O-CA 3.46Å; T799-Y841 HydrophobicContact CG2-CE1 4.4Å; T799-Y841 WeakPolarHBondContact OG1-CD1 3.37Å; T799-Y841 WeakPolarHBondContact OG1-CE1 3.27Å; R801-Y841 WeakPolarHBondContact CD-OH 3.31Å; R801-Y841 PolarHBondContact NE-OH 3.31Å; Y813-Y841 HydrophobicContact CD1-CD1 4.34Å; Y813-Y841 HydrophobicContact CD1-CE1 4.42Å; Y813-Y841 AromaticContact CE1-CD1 3.86Å; Y813-Y841 HydrophobicContact CE1-CD1 3.86Å; Y813-Y841 AromaticContact CE1-CE1 3.87Å; Y813-Y841 HydrophobicContact CE1-CE1 3.87Å; M821-Y841 VanDerWaalsContact CE-C 3.45Å; Y833-Y841 CarbonylContact C-O 3.53Å; Y833-Y841 VanDerWaalsContact CA-O 3.24Å; Y833-Y841 WeakPolarHBondContact CA-O 3.31Å; G834-Y841 PolarHBondContact N-O 3.26Å; G834-Y841 PolarHBondContact O-N 3.16Å; H836-Y841 HydrophobicContact CB-CD2 3.95Å; H836-Y841 HydrophobicContact CB-CE2 3.82Å
842	G	94.9	Very high	94.3	Very high	5 Å²	5	55.8 Å²	55.8	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	153.7	-179.9	0	0	0	0	0	114.3	P797 H798 E832	P797-G842 CarbonylContact C-O 3.54Å; P797-G842 WeakPolarHBondContact CA-O 3.48Å; H798-G842 PolarHBondContact N-O 2.85Å; H798-G842 PolarHBondContact O-N 3.37Å; E832-G842 CarbonylContact O-C 3.5Å; E832-G842 VanDerWaalsContact O-CA 3.23Å; E832-G842 WeakPolarHBondContact O-CA 3.23Å
843	T	95.2	Very high	94.5	Very high	6 Å²	6	62 Å²	62	4%	0.037	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	105	176.8	-58.2	0	0	0	0	109.1	P795 L831 E832 I848	P795-T843 HydrophobicContact CB-CG2 3.91Å; P795-T843 HydrophobicContact CG-CG2 3.63Å; L831-T843 WeakPolarHBondContact CB-O 3.49Å; L831-T843 PolarHBondContact N-O 3.23Å; E832-T843 PolarHBondContact O-N 3.34Å; T843-I848 HydrophobicContact CG2-CD1 4.15Å; T843-I848 HydrophobicContact CG2-CG1 4.28Å
844	K	95.4	Very high	94.6	Very high	22 Å²	22	58.8 Å²	58.8	10%	0.096	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	138.4	179.2	-162	171	-176.5	168.2	0	111.1	E824 E829 Y830 D846 T847	E824-K844 IonicContact OE1-NZ 3.66Å; E824-K844 PolarHBondContact OE1-NZ 2.81Å; E824-K844 IonicContact OE2-NZ 2.93Å; E824-K844 PolarHBondContact OE2-NZ 2.76Å; E829-K844 HydrophobicContact CB-CG 4.5Å; E829-K844 WeakPolarHBondContact O-CG 3.47Å; E829-K844 WeakPolarHBondContact OE2-CE 3.44Å; E829-K844 IonicContact OE2-NZ 2.7Å; E829-K844 PolarHBondContact OE2-NZ 3.14Å; Y830-K844 HydrophobicContact CD1-CB 4.34Å; Y830-K844 HydrophobicContact CE1-CB 4.08Å; K844-D846 HydrophobicContact CG-CB 4.45Å; K844-D846 PolarHBondContact O-N 3.31Å; K844-T847 WeakPolarHBondContact O-CB 3.5Å; K844-T847 PolarHBondContact O-N 3.48Å; K844-T847 VanDerWaalsContact O-N 3.15Å
845	L	96.1	Very high	94.8	Very high	13 Å²	13	59 Å²	59	7%	0.068	31%	0.307	C	S	.	.	H	α-helix	trans	-59.9	-34.5	179.3	-68.2	170.3	0	0	0	111.7	E829 L831 T847 I848 R849 I869 Y875	E829-L845 WeakPolarHBondContact O-CB 3.27Å; E829-L845 WeakPolarHBondContact O-CG 3.44Å; E829-L845 PolarHBondContact O-N 3.06Å; L831-L845 HydrophobicContact CB-CD2 3.8Å; L831-L845 HydrophobicContact CD1-CD2 4.07Å; L845-T847 VanDerWaalsContact C-N 3.32Å; L845-T847 PolarHBondContact O-N 2.9Å; L845-I848 WeakPolarHBondContact O-CB 3.29Å; L845-I848 PolarHBondContact O-N 3.23Å; L845-R849 WeakPolarHBondContact O-CG 3.5Å; L845-R849 PolarHBondContact O-N 3.45Å; L845-I869 HydrophobicContact CD2-CG2 3.99Å; L845-Y875 WeakPolarHBondContact CD2-OH 3.27Å
846	D	95.1	Very high	95	Very high	65 Å²	65	56.9 Å²	56.9	35%	0.348	29%	0.288	S	S	.	.	H	α-helix	trans	-65.8	-31	178.2	-74.5	-26	0	0	0	113.8	K844 I848 R849 A850	K844-D846 HydrophobicContact CG-CB 4.45Å; K844-D846 PolarHBondContact O-N 3.31Å; D846-I848 VanDerWaalsContact C-N 3.3Å; D846-I848 PolarHBondContact O-N 3.02Å; D846-R849 PolarHBondContact O-N 3.25Å; D846-R849 WeakPolarHBondContact OD1-CD 3.49Å; D846-R849 IonicContact OD1-CZ 3.23Å; D846-R849 IonicContact OD1-NE 3.44Å; D846-R849 IonicContact OD1-NH1 2.59Å; D846-R849 PolarHBondContact OD1-NH1 2.92Å; D846-A850 WeakPolarHBondContact O-CB 3.46Å; D846-A850 PolarHBondContact O-N 3.27Å
847	T	95.7	Very high	95.2	Very high	14 Å²	14	52.6 Å²	52.6	9%	0.086	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-38.6	174.2	-49.1	0	0	0	0	110.9	P795 H798 Y814 K844 L845 A850 I851	P795-T847 HydrophobicContact CB-CG2 3.68Å; H798-T847 PolarHBondContact CE1-OG1 3.27Å; Y814-T847 HydrophobicContact CE2-CG2 4.35Å; K844-T847 WeakPolarHBondContact O-CB 3.5Å; K844-T847 PolarHBondContact O-N 3.48Å; K844-T847 VanDerWaalsContact O-N 3.15Å; L845-T847 VanDerWaalsContact C-N 3.32Å; L845-T847 PolarHBondContact O-N 2.9Å; T847-A850 PolarHBondContact O-N 3.39Å; T847-I851 PolarHBondContact O-N 3.24Å
848	I	97	Very high	95.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-45.3	175.3	-56.7	171.8	0	0	0	109.9	P795 L831 T843 L845 D846 A850 I851 H852 A858 L860 Y875	P795-I848 HydrophobicContact CB-CG1 4.02Å; P795-I848 HydrophobicContact CG-CG1 4.16Å; L831-I848 HydrophobicContact CB-CD1 4.43Å; L831-I848 HydrophobicContact CD2-CD1 3.73Å; T843-I848 HydrophobicContact CG2-CD1 4.15Å; T843-I848 HydrophobicContact CG2-CG1 4.28Å; L845-I848 WeakPolarHBondContact O-CB 3.29Å; L845-I848 PolarHBondContact O-N 3.23Å; D846-I848 VanDerWaalsContact C-N 3.3Å; D846-I848 PolarHBondContact O-N 3.02Å; I848-A850 VanDerWaalsContact C-N 3.25Å; I848-A850 PolarHBondContact O-N 2.91Å; I848-I851 WeakPolarHBondContact O-CB 3.43Å; I848-I851 PolarHBondContact O-N 3.02Å; I848-I851 VanDerWaalsContact O-N 3.16Å; I848-H852 PolarHBondContact O-N 2.94Å; I848-H852 VanDerWaalsContact O-N 3.13Å; I848-A858 HydrophobicContact CG2-CB 4.07Å; I848-L860 HydrophobicContact CD1-CD1 4.09Å; I848-L860 HydrophobicContact CD1-CD2 4.28Å; I848-L860 HydrophobicContact CG1-CD2 4.4Å; I848-Y875 HydrophobicContact CB-CE1 4.35Å; I848-Y875 HydrophobicContact CG2-CD1 3.86Å; I848-Y875 HydrophobicContact CG2-CE1 4Å
849	R	96.6	Very high	96	Very high	74 Å²	74	38.8 Å²	38.8	28%	0.279	20%	0.199	S	C	.	.	H	α-helix	trans	-59.3	-36	175.5	-66.9	171.1	-176.4	135.3	1.5	112.2	L845 D846 H852 R853 E874 Y875	L845-R849 WeakPolarHBondContact O-CG 3.5Å; L845-R849 PolarHBondContact O-N 3.45Å; D846-R849 PolarHBondContact O-N 3.25Å; D846-R849 WeakPolarHBondContact OD1-CD 3.49Å; D846-R849 IonicContact OD1-CZ 3.23Å; D846-R849 IonicContact OD1-NE 3.44Å; D846-R849 IonicContact OD1-NH1 2.59Å; D846-R849 PolarHBondContact OD1-NH1 2.92Å; R849-H852 PolarHBondContact O-N 3.37Å; R849-R853 WeakPolarHBondContact O-CG 3.37Å; R849-R853 PolarHBondContact O-N 2.88Å; R849-R853 PolarHBondContact O-NE 3.36Å; R849-E874 IonicContact CZ-OE1 2.84Å; R849-E874 IonicContact NE-OE1 2.73Å; R849-E874 PolarHBondContact NE-OE1 2.85Å; R849-E874 IonicContact NH2-OE1 3.49Å; R849-E874 PolarHBondContact NH2-OE1 3.05Å; R849-E874 IonicContact NH2-OE2 3.53Å; R849-Y875 PolarHBondContact NH2-OH 2.94Å
850	A	96	Very high	96.1	Very high	39 Å²	39	34.7 Å²	34.7	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-64	-41.6	176.7	0	0	0	0	0	112	D846 T847 I848 H852 R853 A854	D846-A850 WeakPolarHBondContact O-CB 3.46Å; D846-A850 PolarHBondContact O-N 3.27Å; T847-A850 PolarHBondContact O-N 3.39Å; I848-A850 VanDerWaalsContact C-N 3.25Å; I848-A850 PolarHBondContact O-N 2.91Å; A850-H852 VanDerWaalsContact C-N 3.34Å; A850-H852 PolarHBondContact O-N 3.47Å; A850-R853 PolarHBondContact O-N 3.43Å; A850-A854 PolarHBondContact O-N 2.99Å
851	I	96.8	Very high	95.9	Very high	17 Å²	17	35.5 Å²	35.5	9%	0.087	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-44.7	173.9	-66.5	170.4	0	0	0	110.9	A793 P795 T847 I848 R853 A854 G855 K856 A858	A793-I851 HydrophobicContact CB-CD1 3.97Å; A793-I851 HydrophobicContact CB-CG1 4.04Å; A793-I851 HydrophobicContact CB-CG2 3.91Å; P795-I851 HydrophobicContact CB-CD1 4.06Å; T847-I851 PolarHBondContact O-N 3.24Å; I848-I851 WeakPolarHBondContact O-CB 3.43Å; I848-I851 PolarHBondContact O-N 3.02Å; I848-I851 VanDerWaalsContact O-N 3.16Å; I851-R853 PolarHBondContact O-N 3.47Å; I851-A854 WeakPolarHBondContact O-CB 3.5Å; I851-A854 PolarHBondContact O-N 3.26Å; I851-A854 VanDerWaalsContact O-N 3.17Å; I851-G855 PolarHBondContact O-N 3.23Å; I851-K856 HydrophobicContact CG2-CB 3.87Å; I851-K856 PolarHBondContact O-N 3.43Å; I851-A858 HydrophobicContact CB-CB 4.28Å; I851-A858 HydrophobicContact CD1-CB 4.2Å; I851-A858 HydrophobicContact CG2-CB 3.88Å
852	H	96.3	Very high	95.7	Very high	34 Å²	34	33.6 Å²	33.6	16%	0.157	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-41.3	177.7	-62.2	171	0	0	0	112	K765 T766 I848 R849 A850 A854 G855 Y875	K765-H852 PolarHBondContact O-CD2 2.73Å; K765-H852 PolarHBondContact O-NE2 2.84Å; T766-H852 PolarHBondContact OG1-CE1 3.04Å; T766-H852 PolarHBondContact OG1-NE2 3.39Å; I848-H852 PolarHBondContact O-N 2.94Å; I848-H852 VanDerWaalsContact O-N 3.13Å; R849-H852 PolarHBondContact O-N 3.37Å; A850-H852 VanDerWaalsContact C-N 3.34Å; A850-H852 PolarHBondContact O-N 3.47Å; H852-A854 VanDerWaalsContact C-N 3.27Å; H852-A854 PolarHBondContact O-N 2.98Å; H852-G855 PolarHBondContact O-N 2.92Å; H852-Y875 AromaticContact CE1-CD1 3.85Å
853	R	96.2	Very high	95.4	Very high	185 Å²	185	39.3 Å²	39.3	70%	0.698	21%	0.206	S	C	*	.	H	α-helix	trans	-61.9	-33.5	174.4	-78.7	-177.7	-89.6	125.6	-8.3	112.4	R849 A850 I851 G855	R849-R853 WeakPolarHBondContact O-CG 3.37Å; R849-R853 PolarHBondContact O-N 2.88Å; R849-R853 PolarHBondContact O-NE 3.36Å; A850-R853 PolarHBondContact O-N 3.43Å; I851-R853 PolarHBondContact O-N 3.47Å; R853-G855 PolarHBondContact O-N 3.3Å
854	A	95.6	Very high	95.1	Very high	70 Å²	70	40 Å²	40	58%	0.579	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	0.1	173	0	0	0	0	0	113.8	A850 I851 H852 K856	A850-A854 PolarHBondContact O-N 2.99Å; I851-A854 WeakPolarHBondContact O-CB 3.5Å; I851-A854 PolarHBondContact O-N 3.26Å; I851-A854 VanDerWaalsContact O-N 3.17Å; H852-A854 VanDerWaalsContact C-N 3.27Å; H852-A854 PolarHBondContact O-N 2.98Å; A854-K856 VanDerWaalsContact C-N 3.26Å; A854-K856 PolarHBondContact O-N 3.04Å
855	G	94	Very high	94.6	Very high	39 Å²	39	43.7 Å²	43.7	40%	0.402	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	5.4	178.1	0	0	0	0	0	115	R763 I851 H852 R853	R763-G855 PolarHBondContact NH2-O 3.09Å; I851-G855 PolarHBondContact O-N 3.23Å; H852-G855 PolarHBondContact O-N 2.92Å; R853-G855 PolarHBondContact O-N 3.3Å
856	K	96.3	Very high	94.4	Very high	72 Å²	72	43.4 Å²	43.4	31%	0.313	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-89.8	160.8	178.6	-62.1	-170.2	-178.1	-172	0	111.6	P789 R791 A793 I851 A854	P789-K856 WeakPolarHBondContact O-CE 3.45Å; P789-K856 PolarHBondContact O-NZ 3.22Å; R791-K856 WeakPolarHBondContact O-CA 3.45Å; A793-K856 HydrophobicContact CB-CD 4.09Å; I851-K856 HydrophobicContact CG2-CB 3.87Å; I851-K856 PolarHBondContact O-N 3.43Å; A854-K856 VanDerWaalsContact C-N 3.26Å; A854-K856 PolarHBondContact O-N 3.04Å
857	I	96.5	Very high	94.2	Very high	19 Å²	19	40.3 Å²	40.3	10%	0.097	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.8	171.1	-63.5	173.8	0	0	0	108.5	K765 L767 R791 Y792 A793 I859 M935	K765-I857 CarbonylContact O-C 3.56Å; K765-I857 VanDerWaalsContact O-CA 3.27Å; K765-I857 WeakPolarHBondContact O-CA 3.04Å; L767-I857 HydrophobicContact CB-CG2 3.96Å; R791-I857 PolarHBondContact O-N 2.98Å; Y792-I857 WeakPolarHBondContact CA-O 3.26Å; Y792-I857 HydrophobicContact CD1-CB 3.79Å; Y792-I857 HydrophobicContact CD1-CG2 4.05Å; Y792-I857 HydrophobicContact CE1-CB 4Å; Y792-I857 HydrophobicContact CE1-CD1 4.03Å; Y792-I857 HydrophobicContact CE1-CG2 4.11Å; A793-I857 PolarHBondContact N-O 2.69Å; A793-I857 VanDerWaalsContact N-O 3.11Å; I857-I859 PolarHBondContact O-N 3.37Å; I857-M935 HydrophobicContact CD1-CE 3.79Å; I857-M935 HydrophobicContact CG2-CE 4.44Å
858	A	97.8	Very high	93.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	120.8	173	0	0	0	0	0	109.6	K765 T766 L767 A793 I848 I851	K765-A858 PolarHBondContact O-N 3.49Å; T766-A858 CarbonylContact C-O 3.54Å; T766-A858 VanDerWaalsContact CA-O 3.31Å; T766-A858 WeakPolarHBondContact CA-O 3.08Å; T766-A858 HydrophobicContact CG2-CB 4.33Å; T766-A858 WeakPolarHBondContact CG2-O 3.41Å; L767-A858 PolarHBondContact N-O 3.38Å; A793-A858 WeakPolarHBondContact O-CA 3.46Å; I848-A858 HydrophobicContact CG2-CB 4.07Å; I851-A858 HydrophobicContact CB-CB 4.28Å; I851-A858 HydrophobicContact CD1-CB 4.2Å; I851-A858 HydrophobicContact CG2-CB 3.88Å
859	I	97.6	Very high	93.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	128.6	171	-54.8	-173.4	0	0	0	108.3	L767 L769 K781 L784 I785 Y792 A793 Y794 I857	L767-I859 HydrophobicContact CB-CG1 4.38Å; L767-I859 HydrophobicContact CD2-CD1 4.26Å; L767-I859 HydrophobicContact CD2-CG1 4.24Å; L767-I859 CarbonylContact O-C 3.52Å; L767-I859 WeakPolarHBondContact O-CA 3.37Å; L769-I859 HydrophobicContact CD1-CG2 4.08Å; L769-I859 HydrophobicContact CG-CG2 4.33Å; K781-I859 HydrophobicContact CB-CG2 4.3Å; K781-I859 HydrophobicContact CD-CG2 4.41Å; K781-I859 HydrophobicContact CG-CB 4.4Å; K781-I859 HydrophobicContact CG-CG2 3.81Å; L784-I859 HydrophobicContact CB-CD1 3.87Å; L784-I859 HydrophobicContact CD1-CD1 4.18Å; I785-I859 HydrophobicContact CG1-CD1 4.08Å; Y792-I859 HydrophobicContact CD1-CD1 3.64Å; Y792-I859 HydrophobicContact CD1-CG1 3.75Å; Y792-I859 HydrophobicContact CD2-CD1 4.26Å; Y792-I859 HydrophobicContact CE1-CD1 4.38Å; Y792-I859 HydrophobicContact CG-CD1 3.59Å; Y792-I859 HydrophobicContact CG-CG1 4.09Å; A793-I859 PolarHBondContact O-N 3.41Å; Y794-I859 WeakPolarHBondContact CD2-O 3.46Å; I857-I859 PolarHBondContact O-N 3.37Å
860	L	96.3	Very high	93.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134	-178.5	-59.3	-177.2	0	0	0	110.8	T766 L767 V768 L769 P795 L831 I848 V862 L870	T766-L860 HydrophobicContact CG2-CD1 3.46Å; T766-L860 VanDerWaalsContact CG2-CD1 3.46Å; T766-L860 HydrophobicContact CG2-CG 3.78Å; L767-L860 PolarHBondContact O-N 3.46Å; V768-L860 WeakPolarHBondContact CA-O 3.33Å; V768-L860 HydrophobicContact CG2-CB 4.5Å; L769-L860 PolarHBondContact N-O 3.32Å; P795-L860 HydrophobicContact CG-CD2 3.43Å; P795-L860 VanDerWaalsContact CG-CD2 3.43Å; L831-L860 HydrophobicContact CD2-CD1 4.15Å; I848-L860 HydrophobicContact CD1-CD1 4.09Å; I848-L860 HydrophobicContact CD1-CD2 4.28Å; I848-L860 HydrophobicContact CG1-CD2 4.4Å; L860-V862 HydrophobicContact CB-CG1 3.98Å; L860-V862 HydrophobicContact CB-CG2 4.43Å; L860-L870 HydrophobicContact CD1-CD1 3.74Å; L860-L870 HydrophobicContact CD1-CD2 3.92Å
861	D	92.8	Very high	92.9	Very high	26 Å²	26	46.3 Å²	46.3	14%	0.139	23%	0.232	C	C	.	.			trans	-116	47.4	173.2	60.3	-31.3	0	0	0	111.8	R777 K781 Y794	R777-D861 PolarHBondContact NH1-O 3.22Å; K781-D861 HydrophobicContact CD-CB 4.3Å; K781-D861 WeakPolarHBondContact CE-OD2 3.37Å; K781-D861 IonicContact NZ-OD1 3.85Å; K781-D861 PolarHBondContact NZ-OD1 2.92Å; K781-D861 IonicContact NZ-OD2 2.79Å; K781-D861 PolarHBondContact NZ-OD2 3.33Å; Y794-D861 WeakPolarHBondContact CE2-OD1 3.47Å; Y794-D861 PolarHBondContact OH-OD1 3.47Å
862	V	91.2	Very high	92.6	Very high	4 Å²	4	48 Å²	48	2%	0.024	24%	0.243	C	C	.	.			trans	-76.5	168	-174.7	-63.1	0	0	0	0	113.6	V768 L770 L831 E832 L860 A866 L870	V768-V862 HydrophobicContact CG1-CG2 3.89Å; L770-V862 HydrophobicContact CD2-CG2 4.48Å; L770-V862 VanDerWaalsContact CD2-O 3.28Å; L770-V862 WeakPolarHBondContact CD2-O 3.28Å; L831-V862 HydrophobicContact CD2-CG1 3.84Å; E832-V862 WeakPolarHBondContact OE2-CB 3.49Å; L860-V862 HydrophobicContact CB-CG1 3.98Å; L860-V862 HydrophobicContact CB-CG2 4.43Å; V862-A866 HydrophobicContact CB-CB 3.92Å; V862-A866 HydrophobicContact CG2-CB 3.82Å; V862-L870 HydrophobicContact CG2-CD1 4.16Å
863	E	89.4	Confident	92.3	Very high	126 Å²	126	48.1 Å²	48.1	59%	0.589	25%	0.25	S	S	*	.			trans	-72.4	151.3	167.9	-65.1	-165.5	165.8	0	0	112.1	E832 Q865 A866	E832-E863 PolarHBondContact OE2-N 3.32Å; E863-Q865 PolarHBondContact O-N 3.43Å; E863-Q865 VanDerWaalsContact O-N 3.1Å; E863-A866 VanDerWaalsContact O-CB 3.26Å; E863-A866 WeakPolarHBondContact O-CB 3.4Å; E863-A866 PolarHBondContact O-N 3.32Å
864	P	88.3	Confident	92.1	Very high	19 Å²	19	43.2 Å²	43.2	12%	0.123	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-57	-28.2	-176.7	-22.3	29.2	0	0	0	115.2	A866 L867 L907 Y911	P864-A866 PolarHBondContact O-N 3.01Å; P864-L867 VanDerWaalsContact O-CB 3.23Å; P864-L867 WeakPolarHBondContact O-CB 3.47Å; P864-L867 VanDerWaalsContact O-CG 3.29Å; P864-L867 WeakPolarHBondContact O-CG 3.31Å; P864-L867 PolarHBondContact O-N 2.83Å; P864-L907 HydrophobicContact CG-CD2 3.63Å; P864-Y911 HydrophobicContact CB-CD1 3.83Å; P864-Y911 HydrophobicContact CB-CD2 3.53Å; P864-Y911 HydrophobicContact CB-CE1 3.85Å; P864-Y911 HydrophobicContact CB-CE2 3.56Å; P864-Y911 HydrophobicContact CB-CG 3.66Å; P864-Y911 HydrophobicContact CG-CD2 3.98Å; P864-Y911 HydrophobicContact CG-CE2 3.99Å
865	Q	85.8	Confident	92.1	Very high	101 Å²	101	40.1 Å²	40.1	47%	0.472	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-60.5	-29.7	178.9	-64.9	86	-26.9	0	0	111.8	E863 L867 K868	E863-Q865 PolarHBondContact O-N 3.43Å; E863-Q865 VanDerWaalsContact O-N 3.1Å; Q865-L867 PolarHBondContact O-N 3.05Å; Q865-L867 VanDerWaalsContact O-N 3.16Å; Q865-K868 PolarHBondContact O-N 2.72Å
866	A	91.3	Very high	92.1	Very high	6 Å²	6	38.3 Å²	38.3	5%	0.05	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-61.9	-20.9	176.8	0	0	0	0	0	112.8	L831 V862 E863 P864 K868 I869 L870	L831-A866 HydrophobicContact CD1-CB 4.01Å; L831-A866 HydrophobicContact CD2-CB 4.41Å; L831-A866 HydrophobicContact CG-CB 4.1Å; V862-A866 HydrophobicContact CB-CB 3.92Å; V862-A866 HydrophobicContact CG2-CB 3.82Å; E863-A866 VanDerWaalsContact O-CB 3.26Å; E863-A866 WeakPolarHBondContact O-CB 3.4Å; E863-A866 PolarHBondContact O-N 3.32Å; P864-A866 PolarHBondContact O-N 3.01Å; A866-K868 PolarHBondContact O-N 2.82Å; A866-I869 PolarHBondContact O-N 2.86Å; A866-I869 VanDerWaalsContact O-N 3.08Å; A866-L870 HydrophobicContact CB-CD1 4.42Å; A866-L870 PolarHBondContact O-N 2.69Å
867	L	90.7	Very high	92	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-26.3	177.5	-66.9	-177.4	0	0	0	113.2	V768 L770 P864 Q865 I869 L870 R871 I879 F914	V768-L867 HydrophobicContact CG1-CD2 4.28Å; L770-L867 HydrophobicContact CD1-CD1 3.55Å; L770-L867 HydrophobicContact CD1-CD2 4.3Å; L770-L867 HydrophobicContact CD1-CG 4.1Å; P864-L867 VanDerWaalsContact O-CB 3.23Å; P864-L867 WeakPolarHBondContact O-CB 3.47Å; P864-L867 VanDerWaalsContact O-CG 3.29Å; P864-L867 WeakPolarHBondContact O-CG 3.31Å; P864-L867 PolarHBondContact O-N 2.83Å; Q865-L867 PolarHBondContact O-N 3.05Å; Q865-L867 VanDerWaalsContact O-N 3.16Å; L867-I869 PolarHBondContact O-N 2.73Å; L867-L870 PolarHBondContact O-N 2.86Å; L867-R871 HydrophobicContact CB-CG 4.4Å; L867-R871 VanDerWaalsContact O-CB 3.29Å; L867-R871 WeakPolarHBondContact O-CB 3.28Å; L867-R871 VanDerWaalsContact O-CG 3.26Å; L867-R871 WeakPolarHBondContact O-CG 3.25Å; L867-R871 PolarHBondContact O-N 3.26Å; L867-I879 HydrophobicContact CD1-CD1 4.33Å; L867-I879 HydrophobicContact CD2-CD1 3.6Å; L867-I879 HydrophobicContact CD2-CG1 3.94Å; L867-I879 HydrophobicContact CD2-CG2 4.44Å; L867-F914 HydrophobicContact CD1-CB 3.67Å; L867-F914 HydrophobicContact CD1-CD2 3.84Å; L867-F914 HydrophobicContact CD1-CG 4.04Å
868	K	85	Confident	92	Very high	148 Å²	148	34 Å²	34	64%	0.643	17%	0.171	S	C	*	.	H	α-helix	trans	-61.4	-30.2	175.8	-67.6	-171.3	173.9	-167.7	0	112.7	D749 Q865 A866	D749-K868 WeakPolarHBondContact OD2-CE 3.31Å; D749-K868 IonicContact OD2-NZ 3.09Å; D749-K868 PolarHBondContact OD2-NZ 2.99Å; Q865-K868 PolarHBondContact O-N 2.72Å; A866-K868 PolarHBondContact O-N 2.82Å
869	I	89	Confident	91.9	Very high	72 Å²	72	34 Å²	34	37%	0.369	17%	0.171	S	C	.	.	H	α-helix	trans	-92.9	-42.1	177.6	-58.8	172.8	0	0	0	110.2	L831 L845 A866 L867 R871	L831-I869 HydrophobicContact CD1-CB 3.91Å; L831-I869 HydrophobicContact CD1-CD1 4.32Å; L831-I869 HydrophobicContact CD1-CG2 4.01Å; L845-I869 HydrophobicContact CD2-CG2 3.99Å; A866-I869 PolarHBondContact O-N 2.86Å; A866-I869 VanDerWaalsContact O-N 3.08Å; L867-I869 PolarHBondContact O-N 2.73Å; I869-R871 PolarHBondContact O-N 2.97Å
870	L	93.4	Very high	91.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-71.3	-26.8	-174.4	-69	174	0	0	0	114.2	V768 L831 L860 V862 A866 L867 T872 Y875 P877	V768-L870 HydrophobicContact CG2-CD1 4.01Å; L831-L870 HydrophobicContact CD1-CD1 4.4Å; L831-L870 HydrophobicContact CD1-CD2 3.92Å; L831-L870 HydrophobicContact CD1-CG 3.79Å; L831-L870 HydrophobicContact CD2-CD1 4.11Å; L831-L870 HydrophobicContact CD2-CD2 3.99Å; L831-L870 HydrophobicContact CD2-CG 4.2Å; L860-L870 HydrophobicContact CD1-CD1 3.74Å; L860-L870 HydrophobicContact CD1-CD2 3.92Å; V862-L870 HydrophobicContact CG2-CD1 4.16Å; A866-L870 HydrophobicContact CB-CD1 4.42Å; A866-L870 PolarHBondContact O-N 2.69Å; L867-L870 PolarHBondContact O-N 2.86Å; L870-T872 PolarHBondContact O-N 3.36Å; L870-Y875 HydrophobicContact CD2-CD1 4.17Å; L870-Y875 HydrophobicContact CD2-CD2 4.35Å; L870-Y875 HydrophobicContact CD2-CG 4.01Å; L870-P877 HydrophobicContact CB-CG 4.38Å; L870-P877 WeakPolarHBondContact O-CD 3.39Å; L870-P877 VanDerWaalsContact O-CG 3.27Å; L870-P877 WeakPolarHBondContact O-CG 3.42Å
871	R	90.8	Very high	91.8	Very high	33 Å²	33	34 Å²	34	13%	0.125	17%	0.171	C	C	.	.			trans	-75.9	52.7	-174.3	-75.6	-173.2	62.9	84.2	3.8	114.4	E754 L867 I869 P877 I879 F914 W949	E754-R871 IonicContact OE1-NH2 3.98Å; E754-R871 PolarHBondContact OE1-NH2 3.24Å; E754-R871 IonicContact OE2-NH2 3.75Å; E754-R871 PolarHBondContact OE2-NH2 3.23Å; L867-R871 HydrophobicContact CB-CG 4.4Å; L867-R871 VanDerWaalsContact O-CB 3.29Å; L867-R871 WeakPolarHBondContact O-CB 3.28Å; L867-R871 VanDerWaalsContact O-CG 3.26Å; L867-R871 WeakPolarHBondContact O-CG 3.25Å; L867-R871 PolarHBondContact O-N 3.26Å; I869-R871 PolarHBondContact O-N 2.97Å; R871-P877 HydrophobicContact CG-CG 4.44Å; R871-I879 HydrophobicContact CG-CD1 4.16Å; R871-F914 VanDerWaalsContact CD-CE1 3.48Å; R871-F914 PolarHBondContact NH1-O 2.9Å; R871-W949 PolarHBondContact O-NE1 3.45Å
872	T	90.7	Very high	92	Very high	51 Å²	51	32.8 Å²	32.8	31%	0.313	16%	0.164	S	C	.	.	S	Bend	trans	-124.5	165.2	176.5	67	0	0	0	0	111	L870 E874 Y875 S876	L870-T872 PolarHBondContact O-N 3.36Å; T872-E874 PolarHBondContact O-N 3.31Å; T872-Y875 PolarHBondContact O-N 3.04Å; T872-Y875 WeakPolarHBondContact OG1-CD2 3.43Å; T872-S876 PolarHBondContact O-N 3.38Å
873	A	90.1	Very high	92.2	Very high	37 Å²	37	33.2 Å²	33.2	31%	0.306	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.7	174.5	0	0	0	0	0	112.8	W949	A873-W949 HydrophobicContact CB-CB 4.11Å; A873-W949 HydrophobicContact CB-CG 4.32Å
874	E	92.4	Very high	92.4	Very high	83 Å²	83	27.7 Å²	27.7	39%	0.388	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-52.7	-177.3	-175.5	-175.7	169.9	0	0	111.2	K765 R849 T872	K765-E874 WeakPolarHBondContact CD-O 3.43Å; K765-E874 PolarHBondContact NZ-O 3.41Å; K765-E874 VanDerWaalsContact NZ-O 3.14Å; R849-E874 IonicContact CZ-OE1 2.84Å; R849-E874 IonicContact NE-OE1 2.73Å; R849-E874 PolarHBondContact NE-OE1 2.85Å; R849-E874 IonicContact NH2-OE1 3.49Å; R849-E874 PolarHBondContact NH2-OE1 3.05Å; R849-E874 IonicContact NH2-OE2 3.53Å; T872-E874 PolarHBondContact O-N 3.31Å
875	Y	94.9	Very high	92.4	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.016	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-28.3	-178.9	-56.1	-77.9	0	0	0	112.1	K765 T766 L845 I848 R849 H852 L870 T872 P877	K765-Y875 WeakPolarHBondContact CB-O 3.38Å; T766-Y875 PolarHBondContact N-O 3.37Å; T766-Y875 PolarHBondContact OG1-O 3.09Å; T766-Y875 VanDerWaalsContact OG1-O 3.12Å; L845-Y875 WeakPolarHBondContact CD2-OH 3.27Å; I848-Y875 HydrophobicContact CB-CE1 4.35Å; I848-Y875 HydrophobicContact CG2-CD1 3.86Å; I848-Y875 HydrophobicContact CG2-CE1 4Å; R849-Y875 PolarHBondContact NH2-OH 2.94Å; H852-Y875 AromaticContact CE1-CD1 3.85Å; L870-Y875 HydrophobicContact CD2-CD1 4.17Å; L870-Y875 HydrophobicContact CD2-CD2 4.35Å; L870-Y875 HydrophobicContact CD2-CG 4.01Å; T872-Y875 PolarHBondContact O-N 3.04Å; T872-Y875 WeakPolarHBondContact OG1-CD2 3.43Å; Y875-P877 VanDerWaalsContact C-N 3.35Å
876	S	93.6	Very high	92.2	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.014	15%	0.147	C	C	.	.			trans	44.9	53.2	179.1	61.9	0	0	0	0	112.7	R764 K765 T872	R764-S876 WeakPolarHBondContact CD-O 3.5Å; K765-S876 WeakPolarHBondContact CB-OG 3.37Å; K765-S876 WeakPolarHBondContact CG-OG 3.41Å; K765-S876 PolarHBondContact N-OG 2.92Å; T872-S876 PolarHBondContact O-N 3.38Å
877	P	95.5	Very high	91.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	142.6	-169.1	30.5	-37.7	0	0	0	111	R764 T766 V768 L870 R871 Y875 I879 W949	R764-P877 PolarHBondContact NH1-O 2.93Å; T766-P877 CarbonylContact O-C 3.59Å; T766-P877 WeakPolarHBondContact O-CA 3.49Å; V768-P877 HydrophobicContact CG2-CB 3.85Å; L870-P877 HydrophobicContact CB-CG 4.38Å; L870-P877 WeakPolarHBondContact O-CD 3.39Å; L870-P877 VanDerWaalsContact O-CG 3.27Å; L870-P877 WeakPolarHBondContact O-CG 3.42Å; R871-P877 HydrophobicContact CG-CG 4.44Å; Y875-P877 VanDerWaalsContact C-N 3.35Å; P877-I879 HydrophobicContact CB-CG1 4.16Å; P877-I879 HydrophobicContact CG-CD1 4.36Å; P877-I879 HydrophobicContact CG-CG1 4.48Å; P877-W949 HydrophobicContact CG-CH2 4.17Å; P877-W949 HydrophobicContact CG-CZ2 4.48Å
878	F	95.3	Very high	90.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	113.4	164.4	-171	-107.7	0	0	0	108.2	F679 R764 T766 L767 V768 I880 D916 L934 M935 L938	F679-F878 HydrophobicContact CD1-CE2 4.18Å; F679-F878 HydrophobicContact CD1-CZ 4.34Å; F679-F878 AromaticContact CE1-CE2 3.88Å; F679-F878 HydrophobicContact CE1-CE2 3.88Å; F679-F878 AromaticContact CE1-CZ 3.61Å; F679-F878 HydrophobicContact CE1-CZ 3.61Å; F679-F878 HydrophobicContact CE2-CZ 4.3Å; F679-F878 HydrophobicContact CZ-CE2 4.22Å; F679-F878 AromaticContact CZ-CZ 3.6Å; F679-F878 HydrophobicContact CZ-CZ 3.6Å; R764-F878 HydrophobicContact CB-CB 4.13Å; R764-F878 HydrophobicContact CG-CB 3.93Å; R764-F878 HydrophobicContact CG-CD2 4.39Å; R764-F878 HydrophobicContact CG-CG 4.49Å; T766-F878 PolarHBondContact O-N 3.05Å; L767-F878 HydrophobicContact CD1-CD1 4.07Å; V768-F878 PolarHBondContact N-O 3.06Å; F878-I880 HydrophobicContact CD1-CD1 4.08Å; F878-I880 HydrophobicContact CD1-CG1 3.82Å; F878-I880 HydrophobicContact CE1-CD1 3.84Å; F878-I880 HydrophobicContact CE1-CG1 3.7Å; F878-D916 WeakPolarHBondContact CA-OD2 3.43Å; F878-D916 HydrophobicContact CD2-CB 3.7Å; F878-D916 HydrophobicContact CE2-CB 3.48Å; F878-D916 VanDerWaalsContact CE2-CB 3.48Å; F878-D916 HydrophobicContact CG-CB 4.46Å; F878-D916 HydrophobicContact CZ-CB 4.07Å; F878-L934 HydrophobicContact CE1-CD2 3.76Å; F878-L934 HydrophobicContact CE1-CG 4.39Å; F878-L934 HydrophobicContact CZ-CD2 4.07Å; F878-M935 HydrophobicContact CD1-SD 3.93Å; F878-M935 HydrophobicContact CE1-SD 4.35Å; F878-L938 HydrophobicContact CB-CD2 4.28Å; F878-L938 HydrophobicContact CD1-CD2 3.9Å; F878-L938 HydrophobicContact CD2-CD1 4.09Å; F878-L938 HydrophobicContact CD2-CD2 3.61Å; F878-L938 HydrophobicContact CD2-CG 4.49Å; F878-L938 HydrophobicContact CE1-CD2 4.08Å; F878-L938 HydrophobicContact CE2-CD1 3.55Å; F878-L938 HydrophobicContact CE2-CD2 3.8Å; F878-L938 HydrophobicContact CE2-CG 4.34Å; F878-L938 HydrophobicContact CG-CD2 3.65Å; F878-L938 HydrophobicContact CZ-CD1 3.92Å; F878-L938 HydrophobicContact CZ-CD2 4.03Å
879	I	95.3	Very high	89.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	109.4	-166.1	-58	160.4	0	0	0	109.2	V768 L770 L867 R871 P877 F914 F915 D916 Y917	V768-I879 HydrophobicContact CB-CG1 4.21Å; V768-I879 HydrophobicContact CG2-CG1 4.44Å; L770-I879 HydrophobicContact CD1-CG2 3.8Å; L770-I879 HydrophobicContact CG-CG2 4.33Å; L867-I879 HydrophobicContact CD1-CD1 4.33Å; L867-I879 HydrophobicContact CD2-CD1 3.6Å; L867-I879 HydrophobicContact CD2-CG1 3.94Å; L867-I879 HydrophobicContact CD2-CG2 4.44Å; R871-I879 HydrophobicContact CG-CD1 4.16Å; P877-I879 HydrophobicContact CB-CG1 4.16Å; P877-I879 HydrophobicContact CG-CD1 4.36Å; P877-I879 HydrophobicContact CG-CG1 4.48Å; I879-F914 HydrophobicContact CD1-CB 4.36Å; I879-F914 VanDerWaalsContact CD1-O 3.23Å; I879-F914 WeakPolarHBondContact CD1-O 3.46Å; I879-F915 HydrophobicContact CG2-CD1 3.85Å; I879-D916 PolarHBondContact N-OD2 3.2Å; I879-D916 PolarHBondContact O-N 3.3Å; I879-Y917 PolarHBondContact O-N 3.03Å
880	I	95.9	Very high	89.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.5	175.7	-54.3	-175.6	0	0	0	108.9	L767 V768 L769 L770 F878 I882 Y917 I919 I931 L934	L767-I880 HydrophobicContact CD1-CD1 3.65Å; L767-I880 HydrophobicContact CD1-CG1 3.89Å; V768-I880 PolarHBondContact O-N 3.13Å; L769-I880 HydrophobicContact CD2-CB 4.26Å; L770-I880 PolarHBondContact N-O 2.83Å; F878-I880 HydrophobicContact CD1-CD1 4.08Å; F878-I880 HydrophobicContact CD1-CG1 3.82Å; F878-I880 HydrophobicContact CE1-CD1 3.84Å; F878-I880 HydrophobicContact CE1-CG1 3.7Å; I880-I882 HydrophobicContact CG2-CD1 3.82Å; I880-Y917 WeakPolarHBondContact CA-O 3.24Å; I880-I919 HydrophobicContact CG2-CD1 3.79Å; I880-I919 HydrophobicContact CG2-CG1 3.99Å; I880-I931 HydrophobicContact CD1-CG1 4.19Å; I880-I931 HydrophobicContact CD1-CG2 4.2Å; I880-L934 HydrophobicContact CD1-CD2 4Å
881	F	96.3	Very high	88.2	Confident	2 Å²	2	46 Å²	46	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	120.5	171.1	-175	-103.4	0	0	0	110.5	L770 A883 S904 L907 R908 F915 Y917 I918 I919	L770-F881 HydrophobicContact CB-CD2 4.03Å; F881-A883 HydrophobicContact CD1-CB 4.09Å; F881-A883 HydrophobicContact CE1-CB 3.85Å; F881-S904 VanDerWaalsContact CZ-O 3.3Å; F881-S904 WeakPolarHBondContact CZ-O 3.42Å; F881-L907 HydrophobicContact CE2-CB 3.89Å; F881-L907 HydrophobicContact CZ-CB 4.14Å; F881-R908 HydrophobicContact CE1-CB 4.12Å; F881-R908 HydrophobicContact CZ-CB 4.22Å; F881-F915 HydrophobicContact CB-CD1 4.21Å; F881-F915 HydrophobicContact CB-CD2 3.41Å; F881-F915 VanDerWaalsContact CB-CD2 3.41Å; F881-F915 HydrophobicContact CB-CE1 4.29Å; F881-F915 HydrophobicContact CB-CE2 3.47Å; F881-F915 VanDerWaalsContact CB-CE2 3.47Å; F881-F915 HydrophobicContact CB-CG 3.82Å; F881-F915 HydrophobicContact CB-CZ 3.95Å; F881-F915 HydrophobicContact CD1-CD2 4.38Å; F881-F915 AromaticContact CD1-CE2 3.86Å; F881-F915 HydrophobicContact CD1-CE2 3.86Å; F881-F915 HydrophobicContact CD2-CD2 4.26Å; F881-F915 HydrophobicContact CD2-CE1 4.02Å; F881-F915 AromaticContact CD2-CE2 3.41Å; F881-F915 HydrophobicContact CD2-CE2 3.41Å; F881-F915 VanDerWaalsContact CD2-CE2 3.41Å; F881-F915 AromaticContact CD2-CZ 3.28Å; F881-F915 HydrophobicContact CD2-CZ 3.28Å; F881-F915 HydrophobicContact CE1-CE2 4.45Å; F881-F915 HydrophobicContact CE2-CE2 4.06Å; F881-F915 AromaticContact CE2-CZ 3.87Å; F881-F915 HydrophobicContact CE2-CZ 3.87Å; F881-F915 AromaticContact CG-CD2 3.79Å; F881-F915 HydrophobicContact CG-CD2 3.79Å; F881-F915 HydrophobicContact CG-CE1 4.44Å; F881-F915 AromaticContact CG-CE2 3.29Å; F881-F915 HydrophobicContact CG-CE2 3.29Å; F881-F915 AromaticContact CG-CZ 3.69Å; F881-F915 HydrophobicContact CG-CZ 3.69Å; F881-Y917 PolarHBondContact N-O 3.38Å; F881-I918 HydrophobicContact CB-CG1 4.27Å; F881-I918 HydrophobicContact CD1-CG2 4.17Å; F881-I918 WeakPolarHBondContact O-CA 3.33Å; F881-I919 PolarHBondContact O-N 2.96Å
882	I	96.6	Very high	87.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	100.2	174.2	-50.4	-57.8	0	0	0	107.5	L770 G771 V775 I780 I880 I919 N921 T927 I931	L770-I882 PolarHBondContact O-N 2.92Å; G771-I882 WeakPolarHBondContact CA-O 3.22Å; V775-I882 HydrophobicContact CB-CG2 4.26Å; V775-I882 HydrophobicContact CG2-CB 4.05Å; V775-I882 HydrophobicContact CG2-CG2 3.9Å; I780-I882 HydrophobicContact CD1-CD1 4.36Å; I780-I882 HydrophobicContact CD1-CG1 4.34Å; I780-I882 HydrophobicContact CD1-CG2 4.23Å; I880-I882 HydrophobicContact CG2-CD1 3.82Å; I882-I919 CarbonylContact C-O 3.57Å; I882-I919 WeakPolarHBondContact CA-O 3.47Å; I882-I919 HydrophobicContact CD1-CB 4.29Å; I882-I919 HydrophobicContact CD1-CD1 4.41Å; I882-N921 HydrophobicContact CG2-CB 3.66Å; I882-T927 HydrophobicContact CD1-CG2 4.3Å; I882-I931 HydrophobicContact CD1-CD1 4.18Å
883	A	95.1	Very high	86.7	Confident	12 Å²	12	50 Å²	50	10%	0.099	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	150.8	177.8	0	0	0	0	0	111	F881 S904 I918 I919 V920 N921	F881-A883 HydrophobicContact CD1-CB 4.09Å; F881-A883 HydrophobicContact CE1-CB 3.85Å; A883-S904 WeakPolarHBondContact CA-OG 3.25Å; A883-I918 HydrophobicContact CB-CG2 4.33Å; A883-I919 PolarHBondContact N-O 3.31Å; A883-V920 HydrophobicContact CB-CG2 4.24Å; A883-N921 PolarHBondContact O-N 3.48Å
884	A	93.5	Very high	86.4	Confident	10 Å²	10	53.4 Å²	53.4	8%	0.083	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-55.5	148.5	172.6	0	0	0	0	0	112.1	L900 V901 S904 V920	A884-L900 HydrophobicContact CB-CD2 3.32Å; A884-L900 HydrophobicContact CB-CG 4.32Å; A884-V901 HydrophobicContact CB-CB 4.28Å; A884-V901 HydrophobicContact CB-CG2 3.69Å; A884-S904 PolarHBondContact N-OG 3.25Å; A884-S904 VanDerWaalsContact N-OG 3.09Å; A884-V920 WeakPolarHBondContact O-CG1 3.41Å
885	P	88.9	Confident	86	Confident	29 Å²	29	50.3 Å²	50.3	19%	0.188	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-62.1	156	174.8	25.6	-33	0	0	0	111.8	L887 N921 N922	P885-L887 PolarHBondContact O-N 2.84Å; P885-N921 WeakPolarHBondContact CB-O 3.32Å; P885-N922 WeakPolarHBondContact CA-OD1 3.39Å
886	D	83.1	Confident	85.5	Confident	89 Å²	89	52.6 Å²	52.6	48%	0.476	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-69.6	127.4	171.7	-62.8	-53.3	0	0	0	110	Y888 N922	D886-Y888 HydrophobicContact CB-CD2 4.04Å; D886-Y888 PolarHBondContact O-N 2.99Å; D886-Y888 VanDerWaalsContact O-N 3.11Å; D886-N922 PolarHBondContact N-OD1 2.95Å; D886-N922 PolarHBondContact OD2-ND2 3.04Å
887	L	78.7	Confident	85.1	Confident	58 Å²	58	54.7 Å²	54.7	30%	0.304	32%	0.316	S	S	.	.			trans	-73.6	1.6	-174.5	-62.4	176.8	0	0	0	115	P885 G889 L890 L897 E898 V901	P885-L887 PolarHBondContact O-N 2.84Å; L887-G889 PolarHBondContact O-N 3.44Å; L887-L890 PolarHBondContact O-N 2.97Å; L887-L897 HydrophobicContact CD2-CB 3.55Å; L887-L897 HydrophobicContact CD2-CD1 4.48Å; L887-E898 HydrophobicContact CD1-CG 4.21Å; L887-V901 HydrophobicContact CD1-CB 4.35Å; L887-V901 HydrophobicContact CD1-CG2 3.89Å; L887-V901 HydrophobicContact CD2-CG2 3.78Å; L887-V901 HydrophobicContact CG-CG2 3.75Å
888	Y	71.8	Confident	84.6	Confident	216 Å²	216	60.4 Å²	60.4	85%	0.847	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	107.2	-170.9	-69.3	-74.3	0	0	0	111.9	D886	D886-Y888 HydrophobicContact CB-CD2 4.04Å; D886-Y888 PolarHBondContact O-N 2.99Å; D886-Y888 VanDerWaalsContact O-N 3.11Å
889	G	67.8	Low	84.3	Confident	84 Å²	84	68.8 Å²	68.8	87%	0.866	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	11.4	174.6	0	0	0	0	0	115.5	L887	L887-G889 PolarHBondContact O-N 3.44Å
890	L	72.4	Confident	84.1	Confident	95 Å²	95	70 Å²	70	50%	0.497	38%	0.381	S	S	.	.			trans	-94.7	127.8	174.1	-62.4	176.9	0	0	0	110.6	L887 D892 L897	L887-L890 PolarHBondContact O-N 2.97Å; L890-D892 PolarHBondContact O-N 3.2Å; L890-L897 HydrophobicContact CB-CD1 4Å; L890-L897 HydrophobicContact CD1-CD1 4.17Å
891	D	73.8	Confident	83.9	Confident	162 Å²	162	72.2 Å²	72.2	87%	0.866	39%	0.394	S	S	*	.			trans	-74.3	119.4	169.3	-85.8	-29.1	0	0	0	109.2	P893	D891-P893 VanDerWaalsContact C-CD 3.4Å; D891-P893 WeakPolarHBondContact O-CD 3.23Å
892	D	78.2	Confident	83.6	Confident	36 Å²	36	80 Å²	80	19%	0.193	42%	0.424	C	S	.	.			trans	-114.8	70.8	178.5	-172.7	19.8	0	0	0	110.9	L890 D894 G895 S896 L897 E898	L890-D892 PolarHBondContact O-N 3.2Å; D892-D894 PolarHBondContact O-N 3.39Å; D892-D894 VanDerWaalsContact O-N 3.14Å; D892-D894 VanDerWaalsContact OD1-OD1 3.07Å; D892-G895 VanDerWaalsContact CG-CA 3.47Å; D892-G895 PolarHBondContact O-N 3Å; D892-G895 WeakPolarHBondContact OD1-CA 3.31Å; D892-G895 PolarHBondContact OD1-N 3.45Å; D892-G895 WeakPolarHBondContact OD2-CA 3.36Å; D892-S896 PolarHBondContact OD1-N 2.78Å; D892-S896 PolarHBondContact OD1-OG 2.87Å; D892-S896 PolarHBondContact OD2-N 3.33Å; D892-L897 HydrophobicContact CB-CB 4.14Å; D892-L897 HydrophobicContact CB-CD1 4.11Å; D892-L897 HydrophobicContact CB-CG 4.34Å; D892-L897 PolarHBondContact OD1-N 3.42Å; D892-L897 VanDerWaalsContact OD1-N 3.15Å; D892-L897 WeakPolarHBondContact OD2-CA 3.32Å; D892-L897 WeakPolarHBondContact OD2-CB 3.09Å; D892-L897 PolarHBondContact OD2-N 2.96Å; D892-E898 PolarHBondContact OD2-N 3.35Å
893	P	72.3	Confident	83.4	Confident	131 Å²	131	83.1 Å²	83.1	85%	0.851	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.2	-171.4	24.5	-33.3	0	0	0	114.1	D891	D891-P893 VanDerWaalsContact C-CD 3.4Å; D891-P893 WeakPolarHBondContact O-CD 3.23Å
894	D	82.2	Confident	83.4	Confident	109 Å²	109	82.8 Å²	82.8	58%	0.583	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-1.8	-179.4	66.3	-10.2	0	0	0	114.3	D892 S896	D892-D894 PolarHBondContact O-N 3.39Å; D892-D894 VanDerWaalsContact O-N 3.14Å; D892-D894 VanDerWaalsContact OD1-OD1 3.07Å; D894-S896 PolarHBondContact O-N 3.47Å; D894-S896 WeakPolarHBondContact OD1-CB 3.37Å; D894-S896 PolarHBondContact OD1-N 2.93Å; D894-S896 PolarHBondContact OD1-OG 3.39Å
895	G	84.2	Confident	83.3	Confident	17 Å²	17	85.5 Å²	85.5	18%	0.175	45%	0.446	C	S	.	.	S	Bend	trans	70.9	17.3	-178.6	0	0	0	0	0	113.2	D892 R899	D892-G895 VanDerWaalsContact CG-CA 3.47Å; D892-G895 PolarHBondContact O-N 3Å; D892-G895 WeakPolarHBondContact OD1-CA 3.31Å; D892-G895 PolarHBondContact OD1-N 3.45Å; D892-G895 WeakPolarHBondContact OD2-CA 3.36Å; G895-R899 VanDerWaalsContact O-CG 3.27Å; G895-R899 WeakPolarHBondContact O-CG 3.38Å; G895-R899 PolarHBondContact O-N 2.94Å
896	S	84.8	Confident	83.5	Confident	52 Å²	52	89 Å²	89	36%	0.364	46%	0.463	S	S	.	.	H	α-helix	trans	-72.4	-38.9	-177.1	61.5	0	0	0	0	111.5	D892 D894 R899 L900	D892-S896 PolarHBondContact OD1-N 2.78Å; D892-S896 PolarHBondContact OD1-OG 2.87Å; D892-S896 PolarHBondContact OD2-N 3.33Å; D894-S896 PolarHBondContact O-N 3.47Å; D894-S896 WeakPolarHBondContact OD1-CB 3.37Å; D894-S896 PolarHBondContact OD1-N 2.93Å; D894-S896 PolarHBondContact OD1-OG 3.39Å; S896-R899 PolarHBondContact O-N 3.04Å; S896-L900 WeakPolarHBondContact O-CB 3.17Å; S896-L900 PolarHBondContact O-N 3.31Å; S896-L900 VanDerWaalsContact O-N 3.08Å
897	L	84.6	Confident	83.9	Confident	46 Å²	46	86.3 Å²	86.3	24%	0.241	45%	0.448	C	S	.	.	H	α-helix	trans	-69.2	-41.2	177.9	-60.4	176.3	0	0	0	111.1	L887 L890 D892 R899 L900 V901	L887-L897 HydrophobicContact CD2-CB 3.55Å; L887-L897 HydrophobicContact CD2-CD1 4.48Å; L890-L897 HydrophobicContact CB-CD1 4Å; L890-L897 HydrophobicContact CD1-CD1 4.17Å; D892-L897 HydrophobicContact CB-CB 4.14Å; D892-L897 HydrophobicContact CB-CD1 4.11Å; D892-L897 HydrophobicContact CB-CG 4.34Å; D892-L897 PolarHBondContact OD1-N 3.42Å; D892-L897 VanDerWaalsContact OD1-N 3.15Å; D892-L897 WeakPolarHBondContact OD2-CA 3.32Å; D892-L897 WeakPolarHBondContact OD2-CB 3.09Å; D892-L897 PolarHBondContact OD2-N 2.96Å; L897-R899 VanDerWaalsContact C-N 3.33Å; L897-R899 PolarHBondContact O-N 3.46Å; L897-L900 PolarHBondContact O-N 3.42Å; L897-V901 WeakPolarHBondContact O-CG2 3.35Å; L897-V901 PolarHBondContact O-N 2.76Å
898	E	86.2	Confident	84.5	Confident	120 Å²	120	88.9 Å²	88.9	56%	0.561	45%	0.454	S	S	*	.	H	α-helix	trans	-60.6	-40.5	174.6	-74.8	-171.3	176.5	0	0	112.5	L887 D892 R902	L887-E898 HydrophobicContact CD1-CG 4.21Å; D892-E898 PolarHBondContact OD2-N 3.35Å; E898-R902 WeakPolarHBondContact O-CB 3.28Å; E898-R902 PolarHBondContact O-N 3.4Å
899	R	88.5	Confident	85.2	Confident	176 Å²	176	85 Å²	85	66%	0.664	44%	0.443	S	S	*	.	H	α-helix	trans	-63.9	-43.9	175.7	-73.8	172.7	-167.3	174.5	8.1	111.5	G895 S896 L897 R902 E903	G895-R899 VanDerWaalsContact O-CG 3.27Å; G895-R899 WeakPolarHBondContact O-CG 3.38Å; G895-R899 PolarHBondContact O-N 2.94Å; S896-R899 PolarHBondContact O-N 3.04Å; L897-R899 VanDerWaalsContact C-N 3.33Å; L897-R899 PolarHBondContact O-N 3.46Å; R899-R902 PolarHBondContact O-N 3.49Å; R899-E903 WeakPolarHBondContact O-CB 3.4Å; R899-E903 PolarHBondContact O-N 3.39Å
900	L	90.9	Very high	86.1	Confident	25 Å²	25	83.5 Å²	83.5	13%	0.131	42%	0.423	C	S	.	.	H	α-helix	trans	-62.8	-41.7	178.6	173.8	139.4	0	0	0	111.9	V775 A884 S896 L897 S904	V775-L900 HydrophobicContact CG1-CD1 3.87Å; V775-L900 HydrophobicContact CG1-CD2 4.13Å; V775-L900 HydrophobicContact CG1-CG 3.97Å; A884-L900 HydrophobicContact CB-CD2 3.32Å; A884-L900 HydrophobicContact CB-CG 4.32Å; S896-L900 WeakPolarHBondContact O-CB 3.17Å; S896-L900 PolarHBondContact O-N 3.31Å; S896-L900 VanDerWaalsContact O-N 3.08Å; L897-L900 PolarHBondContact O-N 3.42Å; L900-S904 VanDerWaalsContact O-CB 3.31Å; L900-S904 WeakPolarHBondContact O-CB 3.44Å; L900-S904 PolarHBondContact O-N 2.92Å
901	V	91.4	Very high	86.9	Confident	47 Å²	47	81.6 Å²	81.6	29%	0.285	41%	0.41	S	S	.	.	H	α-helix	trans	-64.4	-44.3	174.4	171.3	0	0	0	0	111.5	A884 L887 L897 S904 E905	A884-V901 HydrophobicContact CB-CB 4.28Å; A884-V901 HydrophobicContact CB-CG2 3.69Å; L887-V901 HydrophobicContact CD1-CB 4.35Å; L887-V901 HydrophobicContact CD1-CG2 3.89Å; L887-V901 HydrophobicContact CD2-CG2 3.78Å; L887-V901 HydrophobicContact CG-CG2 3.75Å; L897-V901 WeakPolarHBondContact O-CG2 3.35Å; L897-V901 PolarHBondContact O-N 2.76Å; V901-S904 PolarHBondContact O-N 3.24Å; V901-E905 PolarHBondContact O-N 2.85Å
902	R	91.6	Very high	87.6	Confident	167 Å²	167	74.7 Å²	74.7	63%	0.63	38%	0.377	S	S	*	.	H	α-helix	trans	-62.9	-44.7	177.8	-176.8	179.3	-79.8	141.1	-1.9	111.9	E898 R899 S904 E905 L906	E898-R902 WeakPolarHBondContact O-CB 3.28Å; E898-R902 PolarHBondContact O-N 3.4Å; R899-R902 PolarHBondContact O-N 3.49Å; R902-S904 VanDerWaalsContact C-N 3.34Å; R902-E905 PolarHBondContact O-N 2.94Å; R902-L906 HydrophobicContact CG-CD1 4.32Å; R902-L906 WeakPolarHBondContact O-CG 3.49Å; R902-L906 PolarHBondContact O-N 3.3Å
903	E	91.6	Very high	88.1	Confident	65 Å²	65	74.5 Å²	74.5	30%	0.304	37%	0.374	S	S	.	.	H	α-helix	trans	-62.7	-41.6	176.3	-173	-176.7	155.1	0	0	111.2	A772 N773 R899 E905 L906 L907	A772-E903 HydrophobicContact CB-CB 3.86Å; A772-E903 HydrophobicContact CB-CG 3.77Å; N773-E903 PolarHBondContact N-OE1 3.09Å; N773-E903 PolarHBondContact ND2-OE1 3.32Å; R899-E903 WeakPolarHBondContact O-CB 3.4Å; R899-E903 PolarHBondContact O-N 3.39Å; E903-E905 VanDerWaalsContact C-N 3.34Å; E903-E905 PolarHBondContact O-N 3.38Å; E903-L906 PolarHBondContact O-N 3.23Å; E903-L907 HydrophobicContact CG-CD1 4.43Å; E903-L907 WeakPolarHBondContact O-CG 3.42Å; E903-L907 PolarHBondContact O-N 3.04Å
904	S	94.1	Very high	89	Confident	5 Å²	5	69.4 Å²	69.4	4%	0.035	34%	0.339	C	S	.	.	H	α-helix	trans	-60.4	-43.7	176.6	-172.2	0	0	0	0	111.4	F881 A883 A884 L900 V901 R902 L907 R908	F881-S904 VanDerWaalsContact CZ-O 3.3Å; F881-S904 WeakPolarHBondContact CZ-O 3.42Å; A883-S904 WeakPolarHBondContact CA-OG 3.25Å; A884-S904 PolarHBondContact N-OG 3.25Å; A884-S904 VanDerWaalsContact N-OG 3.09Å; L900-S904 VanDerWaalsContact O-CB 3.31Å; L900-S904 WeakPolarHBondContact O-CB 3.44Å; L900-S904 PolarHBondContact O-N 2.92Å; V901-S904 PolarHBondContact O-N 3.24Å; R902-S904 VanDerWaalsContact C-N 3.34Å; S904-L907 PolarHBondContact O-N 3.36Å; S904-R908 WeakPolarHBondContact O-CB 3.46Å; S904-R908 PolarHBondContact O-N 3.44Å
905	E	92.8	Very high	89.5	Confident	67 Å²	67	64.4 Å²	64.4	31%	0.313	31%	0.312	S	S	.	.	H	α-helix	trans	-70	-38.1	-179.9	-169.8	58.6	-166.9	0	0	112.8	V901 R902 E903 L907 R908 Q909	V901-E905 PolarHBondContact O-N 2.85Å; R902-E905 PolarHBondContact O-N 2.94Å; E903-E905 VanDerWaalsContact C-N 3.34Å; E903-E905 PolarHBondContact O-N 3.38Å; E905-L907 PolarHBondContact O-N 3.01Å; E905-R908 VanDerWaalsContact CD-NH2 3.31Å; E905-R908 PolarHBondContact O-N 3.47Å; E905-R908 IonicContact OE1-CZ 2.94Å; E905-R908 IonicContact OE1-NE 2.71Å; E905-R908 PolarHBondContact OE1-NE 3.04Å; E905-R908 IonicContact OE1-NH2 2.6Å; E905-R908 PolarHBondContact OE1-NH2 3.09Å; E905-R908 IonicContact OE2-CZ 3.98Å; E905-R908 VanDerWaalsContact OE2-CZ 3.29Å; E905-R908 IonicContact OE2-NE 3.42Å; E905-R908 PolarHBondContact OE2-NE 3.31Å; E905-R908 IonicContact OE2-NH2 3.07Å; E905-R908 PolarHBondContact OE2-NH2 3.28Å; E905-R908 VanDerWaalsContact OE2-NH2 3.09Å; E905-Q909 VanDerWaalsContact O-CG 3.32Å; E905-Q909 WeakPolarHBondContact O-CG 3.46Å; E905-Q909 PolarHBondContact O-N 3.39Å
906	L	91.8	Very high	89.9	Confident	103 Å²	103	64.5 Å²	64.5	54%	0.539	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-43	174.4	-72.4	172.1	0	0	0	111.9	R902 E903 Q909 A910	R902-L906 HydrophobicContact CG-CD1 4.32Å; R902-L906 WeakPolarHBondContact O-CG 3.49Å; R902-L906 PolarHBondContact O-N 3.3Å; E903-L906 PolarHBondContact O-N 3.23Å; L906-Q909 PolarHBondContact O-N 3.22Å; L906-A910 WeakPolarHBondContact O-CB 3.46Å; L906-A910 PolarHBondContact O-N 2.7Å
907	L	91.2	Very high	90.3	Very high	31 Å²	31	64.2 Å²	64.2	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-41.6	175.9	-75	173.7	0	0	0	111.8	A772 P864 F881 E903 S904 E905 A910 Y911	A772-L907 HydrophobicContact CB-CD1 4.36Å; P864-L907 HydrophobicContact CG-CD2 3.63Å; F881-L907 HydrophobicContact CE2-CB 3.89Å; F881-L907 HydrophobicContact CZ-CB 4.14Å; E903-L907 HydrophobicContact CG-CD1 4.43Å; E903-L907 WeakPolarHBondContact O-CG 3.42Å; E903-L907 PolarHBondContact O-N 3.04Å; S904-L907 PolarHBondContact O-N 3.36Å; E905-L907 PolarHBondContact O-N 3.01Å; L907-A910 PolarHBondContact O-N 2.99Å; L907-Y911 HydrophobicContact CD2-CD2 4.24Å; L907-Y911 HydrophobicContact CD2-CE2 4.33Å; L907-Y911 PolarHBondContact O-N 3.12Å
908	R	91.3	Very high	90.8	Very high	112 Å²	112	64.8 Å²	64.8	42%	0.423	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-41.4	176.9	-170.7	173.9	76.6	131.4	5.2	111.8	F881 S904 E905 G912 F915	F881-R908 HydrophobicContact CE1-CB 4.12Å; F881-R908 HydrophobicContact CZ-CB 4.22Å; S904-R908 WeakPolarHBondContact O-CB 3.46Å; S904-R908 PolarHBondContact O-N 3.44Å; E905-R908 VanDerWaalsContact CD-NH2 3.31Å; E905-R908 PolarHBondContact O-N 3.47Å; E905-R908 IonicContact OE1-CZ 2.94Å; E905-R908 IonicContact OE1-NE 2.71Å; E905-R908 PolarHBondContact OE1-NE 3.04Å; E905-R908 IonicContact OE1-NH2 2.6Å; E905-R908 PolarHBondContact OE1-NH2 3.09Å; E905-R908 IonicContact OE2-CZ 3.98Å; E905-R908 VanDerWaalsContact OE2-CZ 3.29Å; E905-R908 IonicContact OE2-NE 3.42Å; E905-R908 PolarHBondContact OE2-NE 3.31Å; E905-R908 IonicContact OE2-NH2 3.07Å; E905-R908 PolarHBondContact OE2-NH2 3.28Å; E905-R908 VanDerWaalsContact OE2-NH2 3.09Å; R908-G912 WeakPolarHBondContact O-CA 3.41Å; R908-G912 PolarHBondContact O-N 3.21Å; R908-F915 HydrophobicContact CG-CE2 4.37Å
909	Q	87.5	Confident	91.2	Very high	135 Å²	135	59.8 Å²	59.8	63%	0.631	28%	0.28	S	S	*	.	H	α-helix	trans	-66.4	-41.2	176.9	-72.3	173.5	8.6	0	0	112.4	E905 L906	E905-Q909 VanDerWaalsContact O-CG 3.32Å; E905-Q909 WeakPolarHBondContact O-CG 3.46Å; E905-Q909 PolarHBondContact O-N 3.39Å; L906-Q909 PolarHBondContact O-N 3.22Å
910	A	85.9	Confident	91.4	Very high	53 Å²	53	54.4 Å²	54.4	44%	0.438	27%	0.266	S	S	.	.	H	α-helix	trans	-77.3	-38.2	-176.5	0	0	0	0	0	113.7	L906 L907 H913	L906-A910 WeakPolarHBondContact O-CB 3.46Å; L906-A910 PolarHBondContact O-N 2.7Å; L907-A910 PolarHBondContact O-N 2.99Å; A910-H913 PolarHBondContact O-CE1 2.96Å
911	Y	89.5	Confident	91.5	Very high	54 Å²	54	54 Å²	54	21%	0.212	26%	0.264	C	S	.	.	H	α-helix	trans	-123	2.9	-169.4	-60.1	-79.9	0	0	0	114.3	P864 L907 H913 F914 F915	P864-Y911 HydrophobicContact CB-CD1 3.83Å; P864-Y911 HydrophobicContact CB-CD2 3.53Å; P864-Y911 HydrophobicContact CB-CE1 3.85Å; P864-Y911 HydrophobicContact CB-CE2 3.56Å; P864-Y911 HydrophobicContact CB-CG 3.66Å; P864-Y911 HydrophobicContact CG-CD2 3.98Å; P864-Y911 HydrophobicContact CG-CE2 3.99Å; L907-Y911 HydrophobicContact CD2-CD2 4.24Å; L907-Y911 HydrophobicContact CD2-CE2 4.33Å; L907-Y911 PolarHBondContact O-N 3.12Å; Y911-H913 PolarHBondContact O-N 3.11Å; Y911-F914 HydrophobicContact CD1-CD2 4.19Å; Y911-F914 HydrophobicContact CD1-CE2 4.29Å; Y911-F914 WeakPolarHBondContact O-CB 3.34Å; Y911-F914 PolarHBondContact O-N 3.25Å; Y911-F915 WeakPolarHBondContact O-CE1 3.41Å
912	G	89.2	Confident	91.5	Very high	17 Å²	17	56.4 Å²	56.4	18%	0.175	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-52.3	-33	-174.2	0	0	0	0	0	115.2	R908 F914 F915	R908-G912 WeakPolarHBondContact O-CA 3.41Å; R908-G912 PolarHBondContact O-N 3.21Å; G912-F914 PolarHBondContact O-N 3.26Å; G912-F915 PolarHBondContact O-N 2.94Å; G912-F915 VanDerWaalsContact O-N 3.11Å
913	H	88.8	Confident	91.5	Very high	32 Å²	32	51.8 Å²	51.8	15%	0.148	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-65.3	-19.1	179.3	62	-87.2	0	0	0	114.3	R629 Q631 T653 A910 Y911	R629-H913 PolarHBondContact NH1-O 3.26Å; R629-H913 PolarHBondContact NH2-O 3.47Å; Q631-H913 HydrophobicContact CB-CB 4.07Å; Q631-H913 VanDerWaalsContact O-CB 3.27Å; Q631-H913 WeakPolarHBondContact O-CB 3.48Å; Q631-H913 PolarHBondContact OE1-O 3.42Å; T653-H913 VanDerWaalsContact CG2-CA 3.42Å; T653-H913 HydrophobicContact CG2-CB 3.71Å; A910-H913 PolarHBondContact O-CE1 2.96Å; Y911-H913 PolarHBondContact O-N 3.11Å
914	F	90.7	Very high	91.6	Very high	25 Å²	25	50.8 Å²	50.8	11%	0.11	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-86.2	-15.9	174.5	-65.1	-48	0	0	0	114.4	L867 R871 I879 Y911 G912	L867-F914 HydrophobicContact CD1-CB 3.67Å; L867-F914 HydrophobicContact CD1-CD2 3.84Å; L867-F914 HydrophobicContact CD1-CG 4.04Å; R871-F914 VanDerWaalsContact CD-CE1 3.48Å; R871-F914 PolarHBondContact NH1-O 2.9Å; I879-F914 HydrophobicContact CD1-CB 4.36Å; I879-F914 VanDerWaalsContact CD1-O 3.23Å; I879-F914 WeakPolarHBondContact CD1-O 3.46Å; Y911-F914 HydrophobicContact CD1-CD2 4.19Å; Y911-F914 HydrophobicContact CD1-CE2 4.29Å; Y911-F914 WeakPolarHBondContact O-CB 3.34Å; Y911-F914 PolarHBondContact O-N 3.25Å; G912-F914 PolarHBondContact O-N 3.26Å
915	F	92.6	Very high	91.6	Very high	3 Å²	3	54 Å²	54	1%	0.013	28%	0.276	C	S	.	.			trans	-72	143.8	-173.4	-53.5	-18.4	0	0	0	111.1	F676 L770 I879 F881 R908 Y911 G912 I918	F676-F915 WeakPolarHBondContact CE2-O 3.5Å; L770-F915 HydrophobicContact CD1-CD1 4.37Å; L770-F915 HydrophobicContact CD1-CE1 3.83Å; I879-F915 HydrophobicContact CG2-CD1 3.85Å; F881-F915 HydrophobicContact CB-CD1 4.21Å; F881-F915 HydrophobicContact CB-CD2 3.41Å; F881-F915 VanDerWaalsContact CB-CD2 3.41Å; F881-F915 HydrophobicContact CB-CE1 4.29Å; F881-F915 HydrophobicContact CB-CE2 3.47Å; F881-F915 VanDerWaalsContact CB-CE2 3.47Å; F881-F915 HydrophobicContact CB-CG 3.82Å; F881-F915 HydrophobicContact CB-CZ 3.95Å; F881-F915 HydrophobicContact CD1-CD2 4.38Å; F881-F915 AromaticContact CD1-CE2 3.86Å; F881-F915 HydrophobicContact CD1-CE2 3.86Å; F881-F915 HydrophobicContact CD2-CD2 4.26Å; F881-F915 HydrophobicContact CD2-CE1 4.02Å; F881-F915 AromaticContact CD2-CE2 3.41Å; F881-F915 HydrophobicContact CD2-CE2 3.41Å; F881-F915 VanDerWaalsContact CD2-CE2 3.41Å; F881-F915 AromaticContact CD2-CZ 3.28Å; F881-F915 HydrophobicContact CD2-CZ 3.28Å; F881-F915 HydrophobicContact CE1-CE2 4.45Å; F881-F915 HydrophobicContact CE2-CE2 4.06Å; F881-F915 AromaticContact CE2-CZ 3.87Å; F881-F915 HydrophobicContact CE2-CZ 3.87Å; F881-F915 AromaticContact CG-CD2 3.79Å; F881-F915 HydrophobicContact CG-CD2 3.79Å; F881-F915 HydrophobicContact CG-CE1 4.44Å; F881-F915 AromaticContact CG-CE2 3.29Å; F881-F915 HydrophobicContact CG-CE2 3.29Å; F881-F915 AromaticContact CG-CZ 3.69Å; F881-F915 HydrophobicContact CG-CZ 3.69Å; R908-F915 HydrophobicContact CG-CE2 4.37Å; Y911-F915 WeakPolarHBondContact O-CE1 3.41Å; G912-F915 PolarHBondContact O-N 2.94Å; G912-F915 VanDerWaalsContact O-N 3.11Å; F915-I918 HydrophobicContact CD2-CD1 4.26Å; F915-I918 HydrophobicContact CD2-CG1 4.09Å
916	D	92.5	Very high	91.7	Very high	19 Å²	19	55.2 Å²	55.2	10%	0.102	29%	0.285	C	S	.	.	S	Bend	trans	-95.9	-29.1	169.3	-65.4	-80.7	0	0	0	110.7	F676 F679 R764 F878 I879	F676-D916 WeakPolarHBondContact CE2-O 3.38Å; F679-D916 WeakPolarHBondContact CE1-O 3.46Å; R764-D916 IonicContact CZ-OD1 2.88Å; R764-D916 IonicContact NH1-OD1 3.46Å; R764-D916 PolarHBondContact NH1-OD1 3.02Å; R764-D916 IonicContact NH1-OD2 3.29Å; R764-D916 IonicContact NH2-OD1 3.5Å; R764-D916 PolarHBondContact NH2-OD1 3.08Å; F878-D916 WeakPolarHBondContact CA-OD2 3.43Å; F878-D916 HydrophobicContact CD2-CB 3.7Å; F878-D916 HydrophobicContact CE2-CB 3.48Å; F878-D916 VanDerWaalsContact CE2-CB 3.48Å; F878-D916 HydrophobicContact CG-CB 4.46Å; F878-D916 HydrophobicContact CZ-CB 4.07Å; I879-D916 PolarHBondContact N-OD2 3.2Å; I879-D916 PolarHBondContact O-N 3.3Å
917	Y	93.9	Very high	91.9	Very high	46 Å²	46	50.5 Å²	50.5	18%	0.18	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	151.3	-179.9	-155.6	-95.9	0	0	0	112	P677 F679 I879 I880 F881 I919 H930 L934	P677-Y917 HydrophobicContact CB-CD2 3.64Å; P677-Y917 HydrophobicContact CB-CE2 4.06Å; P677-Y917 HydrophobicContact CG-CD2 3.71Å; P677-Y917 HydrophobicContact CG-CE2 3.58Å; F679-Y917 AromaticContact CE1-CD2 3.56Å; F679-Y917 HydrophobicContact CE1-CD2 3.56Å; F679-Y917 HydrophobicContact CE1-CE2 4.37Å; F679-Y917 HydrophobicContact CE1-CG 4.36Å; F679-Y917 AromaticContact CZ-CD2 3.37Å; F679-Y917 HydrophobicContact CZ-CD2 3.37Å; F679-Y917 AromaticContact CZ-CE2 3.88Å; F679-Y917 HydrophobicContact CZ-CE2 3.88Å; F679-Y917 HydrophobicContact CZ-CG 4.21Å; I879-Y917 PolarHBondContact O-N 3.03Å; I880-Y917 WeakPolarHBondContact CA-O 3.24Å; F881-Y917 PolarHBondContact N-O 3.38Å; Y917-I919 HydrophobicContact CD1-CD1 4.23Å; Y917-I919 HydrophobicContact CD1-CG1 3.62Å; Y917-I919 HydrophobicContact CE1-CD1 4.35Å; Y917-I919 HydrophobicContact CE1-CG1 3.7Å; Y917-H930 AromaticContact CE1-CD2 3.91Å; Y917-H930 AromaticContact CE1-NE2 3.34Å; Y917-H930 VanDerWaalsContact CE1-NE2 3.34Å; Y917-H930 WeakPolarHBondContact CE1-NE2 3.21Å; Y917-H930 AromaticContact CZ-NE2 3.44Å; Y917-H930 PolarHBondContact OH-CE1 2.94Å; Y917-H930 PolarHBondContact OH-NE2 3.16Å; Y917-L934 HydrophobicContact CD1-CD2 3.94Å; Y917-L934 HydrophobicContact CD2-CD1 4.45Å; Y917-L934 HydrophobicContact CD2-CD2 4.2Å; Y917-L934 HydrophobicContact CE1-CD2 4.33Å; Y917-L934 HydrophobicContact CE2-CD1 4.16Å; Y917-L934 HydrophobicContact CG-CD2 3.86Å
918	I	94	Very high	92.2	Very high	58 Å²	58	49 Å²	49	30%	0.297	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.7	177.1	-60	172.8	0	0	0	108.8	F676 F881 A883 F915	F676-I918 HydrophobicContact CE1-CD1 3.96Å; F676-I918 HydrophobicContact CE1-CG1 4.04Å; F676-I918 HydrophobicContact CZ-CD1 4.43Å; F676-I918 HydrophobicContact CZ-CG1 4.23Å; F881-I918 HydrophobicContact CB-CG1 4.27Å; F881-I918 HydrophobicContact CD1-CG2 4.17Å; F881-I918 WeakPolarHBondContact O-CA 3.33Å; A883-I918 HydrophobicContact CB-CG2 4.33Å; F915-I918 HydrophobicContact CD2-CD1 4.26Å; F915-I918 HydrophobicContact CD2-CG1 4.09Å
919	I	94.6	Very high	92.4	Very high	16 Å²	16	48.5 Å²	48.5	8%	0.082	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.1	174.8	-53	176.5	0	0	0	108.5	I880 F881 I882 A883 Y917 T927 I931	I880-I919 HydrophobicContact CG2-CD1 3.79Å; I880-I919 HydrophobicContact CG2-CG1 3.99Å; F881-I919 PolarHBondContact O-N 2.96Å; I882-I919 CarbonylContact C-O 3.57Å; I882-I919 WeakPolarHBondContact CA-O 3.47Å; I882-I919 HydrophobicContact CD1-CB 4.29Å; I882-I919 HydrophobicContact CD1-CD1 4.41Å; A883-I919 PolarHBondContact N-O 3.31Å; Y917-I919 HydrophobicContact CD1-CD1 4.23Å; Y917-I919 HydrophobicContact CD1-CG1 3.62Å; Y917-I919 HydrophobicContact CE1-CD1 4.35Å; Y917-I919 HydrophobicContact CE1-CG1 3.7Å; I919-T927 HydrophobicContact CG2-CG2 4Å; I919-I931 HydrophobicContact CD1-CD1 4.12Å; I919-I931 HydrophobicContact CD1-CG1 3.49Å; I919-I931 VanDerWaalsContact CD1-CG1 3.49Å
920	V	94.1	Very high	92.7	Very high	62 Å²	62	45.1 Å²	45.1	38%	0.376	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	116.5	169.9	-179.9	0	0	0	0	108	A883 A884 N922	A883-V920 HydrophobicContact CB-CG2 4.24Å; A884-V920 WeakPolarHBondContact O-CG1 3.41Å; V920-N922 PolarHBondContact O-N 3.19Å
921	N	93.5	Very high	93.2	Very high	17 Å²	17	42.6 Å²	42.6	9%	0.091	22%	0.217	C	C	.	.			trans	-85.1	76.9	-175.6	-175	20.5	0	0	0	111.8	V775 I882 A883 P885 D923 I924 T927	V775-N921 PolarHBondContact O-ND2 3Å; I882-N921 HydrophobicContact CG2-CB 3.66Å; A883-N921 PolarHBondContact O-N 3.48Å; P885-N921 WeakPolarHBondContact CB-O 3.32Å; N921-D923 VanDerWaalsContact OD1-C 3.3Å; N921-D923 PolarHBondContact OD1-O 3.24Å; N921-I924 WeakPolarHBondContact OD1-CA 3.25Å; N921-I924 PolarHBondContact OD1-N 2.98Å; N921-T927 PolarHBondContact OD1-OG1 3Å
922	N	90.7	Very high	93.4	Very high	97 Å²	97	41.4 Å²	41.4	52%	0.519	21%	0.213	S	C	.	.	S	Bend	trans	-80.6	-32.5	173.6	-71.8	-31.8	0	0	0	112.6	P885 D886 V920	P885-N922 WeakPolarHBondContact CA-OD1 3.39Å; D886-N922 PolarHBondContact N-OD1 2.95Å; D886-N922 PolarHBondContact OD2-ND2 3.04Å; V920-N922 PolarHBondContact O-N 3.19Å
923	D	92	Very high	93.6	Very high	70 Å²	70	45 Å²	45	37%	0.374	23%	0.226	S	C	.	.			trans	-140.4	132.4	171	176.8	-107.6	0	0	0	109.5	N921 D925 D926 T927	N921-D923 VanDerWaalsContact OD1-C 3.3Å; N921-D923 PolarHBondContact OD1-O 3.24Å; D923-D925 WeakPolarHBondContact OD1-CB 3.43Å; D923-D925 PolarHBondContact OD1-N 3.43Å; D923-D926 HydrophobicContact CB-CB 4.23Å; D923-D926 PolarHBondContact OD1-N 3.46Å; D923-T927 WeakPolarHBondContact O-CB 3.2Å; D923-T927 PolarHBondContact O-N 2.93Å; D923-T927 PolarHBondContact O-OG1 2.86Å
924	I	92.6	Very high	93.7	Very high	44 Å²	44	44.4 Å²	44.4	23%	0.226	22%	0.224	C	C	.	.	H	α-helix	trans	-74.6	-34.1	-170.8	-161.2	160.8	0	0	0	112.1	H779 I780 N921 T927 I928	H779-I924 HydrophobicContact CB-CD1 3.78Å; H779-I924 WeakPolarHBondContact CD2-CD1 3.38Å; I780-I924 HydrophobicContact CD1-CG1 4.44Å; I780-I924 HydrophobicContact CG1-CD1 4.14Å; I780-I924 HydrophobicContact CG1-CG1 3.83Å; N921-I924 WeakPolarHBondContact OD1-CA 3.25Å; N921-I924 PolarHBondContact OD1-N 2.98Å; I924-T927 PolarHBondContact O-N 2.8Å; I924-I928 HydrophobicContact CG1-CD1 4.32Å; I924-I928 WeakPolarHBondContact O-CD1 3.11Å; I924-I928 VanDerWaalsContact O-CG1 3.22Å; I924-I928 WeakPolarHBondContact O-CG1 3.11Å; I924-I928 PolarHBondContact O-N 3.4Å
925	D	94.4	Very high	93.8	Very high	72 Å²	72	43.4 Å²	43.4	39%	0.385	22%	0.22	S	C	.	.	H	α-helix	trans	-69.9	-41.9	178.6	-81.8	-52	0	0	0	111	R787 D923 I928 K929	R787-D925 IonicContact NH2-OD1 3.96Å; D923-D925 WeakPolarHBondContact OD1-CB 3.43Å; D923-D925 PolarHBondContact OD1-N 3.43Å; D925-I928 PolarHBondContact O-N 3.12Å; D925-K929 WeakPolarHBondContact O-CG 3.49Å; D925-K929 PolarHBondContact O-N 3.36Å
926	D	95.3	Very high	93.6	Very high	93 Å²	93	48.4 Å²	48.4	50%	0.497	24%	0.243	S	C	.	.	H	α-helix	trans	-66.9	-38	174.2	-72.5	-14.4	0	0	0	111.9	D923 I928 K929 H930	D923-D926 HydrophobicContact CB-CB 4.23Å; D923-D926 PolarHBondContact OD1-N 3.46Å; D926-I928 VanDerWaalsContact C-N 3.35Å; D926-I928 PolarHBondContact O-N 3.03Å; D926-K929 PolarHBondContact O-N 2.79Å; D926-K929 IonicContact OD1-NZ 3.92Å; D926-K929 PolarHBondContact OD1-NZ 3.35Å; D926-H930 WeakPolarHBondContact O-CB 3.42Å; D926-H930 PolarHBondContact O-N 2.86Å
927	T	95.8	Very high	93.3	Very high	5 Å²	5	54 Å²	54	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-44.3	172	-65	0	0	0	0	111.6	I780 I882 I919 N921 D923 I924 H930 I931	I780-T927 HydrophobicContact CD1-CG2 3.73Å; I780-T927 HydrophobicContact CG1-CG2 4.46Å; I882-T927 HydrophobicContact CD1-CG2 4.3Å; I919-T927 HydrophobicContact CG2-CG2 4Å; N921-T927 PolarHBondContact OD1-OG1 3Å; D923-T927 WeakPolarHBondContact O-CB 3.2Å; D923-T927 PolarHBondContact O-N 2.93Å; D923-T927 PolarHBondContact O-OG1 2.86Å; I924-T927 PolarHBondContact O-N 2.8Å; T927-H930 WeakPolarHBondContact O-CB 3.48Å; T927-H930 PolarHBondContact O-N 2.97Å; T927-I931 HydrophobicContact CG2-CD1 4.06Å; T927-I931 WeakPolarHBondContact O-CG1 3.36Å; T927-I931 PolarHBondContact O-N 3.15Å
928	I	96.5	Very high	93	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-49.6	177.6	-70.2	160.6	0	0	0	110.7	I780 T783 L784 I924 D925 D926 H930 I931 E932	I780-I928 HydrophobicContact CB-CG1 4.29Å; I780-I928 HydrophobicContact CG1-CG1 4.07Å; I780-I928 HydrophobicContact CG2-CG1 4.13Å; T783-I928 HydrophobicContact CG2-CD1 3.86Å; T783-I928 HydrophobicContact CG2-CG2 4.3Å; L784-I928 HydrophobicContact CD2-CG2 4.13Å; I924-I928 HydrophobicContact CG1-CD1 4.32Å; I924-I928 WeakPolarHBondContact O-CD1 3.11Å; I924-I928 VanDerWaalsContact O-CG1 3.22Å; I924-I928 WeakPolarHBondContact O-CG1 3.11Å; I924-I928 PolarHBondContact O-N 3.4Å; D925-I928 PolarHBondContact O-N 3.12Å; D926-I928 VanDerWaalsContact C-N 3.35Å; D926-I928 PolarHBondContact O-N 3.03Å; I928-H930 PolarHBondContact O-N 3.21Å; I928-I931 PolarHBondContact O-N 2.85Å; I928-I931 VanDerWaalsContact O-N 3.16Å; I928-E932 HydrophobicContact CG2-CG 4.45Å; I928-E932 WeakPolarHBondContact O-CG 3.29Å; I928-E932 PolarHBondContact O-N 3.14Å
929	K	95.9	Very high	92.4	Very high	101 Å²	101	53.4 Å²	53.4	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-56.7	-39.7	176.8	-69	170.7	-155.8	151.8	0	111.3	D925 D926 E932 M933	D925-K929 WeakPolarHBondContact O-CG 3.49Å; D925-K929 PolarHBondContact O-N 3.36Å; D926-K929 PolarHBondContact O-N 2.79Å; D926-K929 IonicContact OD1-NZ 3.92Å; D926-K929 PolarHBondContact OD1-NZ 3.35Å; K929-E932 PolarHBondContact O-N 3.24Å; K929-M933 WeakPolarHBondContact O-CG 3.33Å; K929-M933 PolarHBondContact O-N 3.48Å
930	H	95	Very high	91.8	Very high	63 Å²	63	58.6 Å²	58.6	29%	0.292	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-45.9	178.3	-165.8	90.4	0	0	0	112	Y917 D926 T927 I928 E932 M933 L934	Y917-H930 AromaticContact CE1-CD2 3.91Å; Y917-H930 AromaticContact CE1-NE2 3.34Å; Y917-H930 VanDerWaalsContact CE1-NE2 3.34Å; Y917-H930 WeakPolarHBondContact CE1-NE2 3.21Å; Y917-H930 AromaticContact CZ-NE2 3.44Å; Y917-H930 PolarHBondContact OH-CE1 2.94Å; Y917-H930 PolarHBondContact OH-NE2 3.16Å; D926-H930 WeakPolarHBondContact O-CB 3.42Å; D926-H930 PolarHBondContact O-N 2.86Å; T927-H930 WeakPolarHBondContact O-CB 3.48Å; T927-H930 PolarHBondContact O-N 2.97Å; I928-H930 PolarHBondContact O-N 3.21Å; H930-E932 VanDerWaalsContact C-N 3.35Å; H930-E932 PolarHBondContact O-N 3.02Å; H930-M933 PolarHBondContact O-N 2.9Å; H930-L934 WeakPolarHBondContact O-CB 3.27Å; H930-L934 PolarHBondContact O-N 3.3Å
931	I	95.2	Very high	91.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-41.5	176.4	-65.8	167	0	0	0	110.9	L767 L769 I780 L784 I880 I882 I919 T927 I928 L934 M935	L767-I931 HydrophobicContact CD2-CG2 4.23Å; L769-I931 HydrophobicContact CD2-CD1 4.38Å; I780-I931 HydrophobicContact CG2-CD1 3.6Å; L784-I931 HydrophobicContact CD1-CG2 3.87Å; L784-I931 HydrophobicContact CD2-CG2 4.46Å; I880-I931 HydrophobicContact CD1-CG1 4.19Å; I880-I931 HydrophobicContact CD1-CG2 4.2Å; I882-I931 HydrophobicContact CD1-CD1 4.18Å; I919-I931 HydrophobicContact CD1-CD1 4.12Å; I919-I931 HydrophobicContact CD1-CG1 3.49Å; I919-I931 VanDerWaalsContact CD1-CG1 3.49Å; T927-I931 HydrophobicContact CG2-CD1 4.06Å; T927-I931 WeakPolarHBondContact O-CG1 3.36Å; T927-I931 PolarHBondContact O-N 3.15Å; I928-I931 PolarHBondContact O-N 2.85Å; I928-I931 VanDerWaalsContact O-N 3.16Å; I931-L934 WeakPolarHBondContact O-CB 3.48Å; I931-L934 PolarHBondContact O-N 3.2Å; I931-M935 HydrophobicContact CG2-CG 4.21Å; I931-M935 WeakPolarHBondContact O-CB 3.33Å; I931-M935 WeakPolarHBondContact O-CG 3.35Å; I931-M935 PolarHBondContact O-N 3.42Å
932	E	94.5	Very high	91	Very high	30 Å²	30	57.1 Å²	57.1	14%	0.14	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-52.8	176.8	-71.6	175.3	137.9	0	0	111.2	L784 R787 H788 I928 K929 H930 L934 M935 E936	L784-E932 HydrophobicContact CD2-CG 3.58Å; R787-E932 WeakPolarHBondContact CD-OE1 3.06Å; R787-E932 IonicContact NH1-OE1 3.06Å; R787-E932 IonicContact NH1-OE2 2.81Å; R787-E932 PolarHBondContact NH1-OE2 2.72Å; H788-E932 IonicContact CD2-OE1 3.22Å; H788-E932 IonicContact CE1-OE1 2.76Å; H788-E932 IonicContact NE2-OE1 2.83Å; H788-E932 PolarHBondContact NE2-OE1 2.85Å; I928-E932 HydrophobicContact CG2-CG 4.45Å; I928-E932 WeakPolarHBondContact O-CG 3.29Å; I928-E932 PolarHBondContact O-N 3.14Å; K929-E932 PolarHBondContact O-N 3.24Å; H930-E932 VanDerWaalsContact C-N 3.35Å; H930-E932 PolarHBondContact O-N 3.02Å; E932-L934 VanDerWaalsContact C-N 3.27Å; E932-L934 PolarHBondContact O-N 3.34Å; E932-M935 PolarHBondContact O-N 3.42Å; E932-E936 WeakPolarHBondContact O-CG 3.28Å; E932-E936 PolarHBondContact O-N 2.82Å; E932-E936 VanDerWaalsContact O-N 3.07Å
933	M	92.6	Very high	90.9	Very high	92 Å²	92	52.5 Å²	52.5	45%	0.453	26%	0.26	S	S	.	.	H	α-helix	trans	-59.9	-37.4	176.8	-70.4	-172.8	-63.1	0	0	112.6	K929 H930 K937	K929-M933 WeakPolarHBondContact O-CG 3.33Å; K929-M933 PolarHBondContact O-N 3.48Å; H930-M933 PolarHBondContact O-N 2.9Å; M933-K937 WeakPolarHBondContact O-CG 3.09Å; M933-K937 PolarHBondContact O-N 3Å
934	L	92	Very high	90.8	Very high	19 Å²	19	49.9 Å²	49.9	10%	0.099	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-50.3	-180	-162.1	66.6	0	0	0	110.9	F679 F878 I880 Y917 H930 I931 E932 E936 K937 L938	F679-L934 HydrophobicContact CE2-CD1 3.53Å; F679-L934 HydrophobicContact CE2-CG 4.14Å; F679-L934 HydrophobicContact CZ-CD1 3.6Å; F679-L934 HydrophobicContact CZ-CD2 4.13Å; F679-L934 HydrophobicContact CZ-CG 4.05Å; F878-L934 HydrophobicContact CE1-CD2 3.76Å; F878-L934 HydrophobicContact CE1-CG 4.39Å; F878-L934 HydrophobicContact CZ-CD2 4.07Å; I880-L934 HydrophobicContact CD1-CD2 4Å; Y917-L934 HydrophobicContact CD1-CD2 3.94Å; Y917-L934 HydrophobicContact CD2-CD1 4.45Å; Y917-L934 HydrophobicContact CD2-CD2 4.2Å; Y917-L934 HydrophobicContact CE1-CD2 4.33Å; Y917-L934 HydrophobicContact CE2-CD1 4.16Å; Y917-L934 HydrophobicContact CG-CD2 3.86Å; H930-L934 WeakPolarHBondContact O-CB 3.27Å; H930-L934 PolarHBondContact O-N 3.3Å; I931-L934 WeakPolarHBondContact O-CB 3.48Å; I931-L934 PolarHBondContact O-N 3.2Å; E932-L934 VanDerWaalsContact C-N 3.27Å; E932-L934 PolarHBondContact O-N 3.34Å; L934-E936 VanDerWaalsContact C-N 3.32Å; L934-E936 PolarHBondContact O-N 3.15Å; L934-K937 PolarHBondContact O-N 2.9Å; L934-L938 WeakPolarHBondContact O-CB 3.49Å; L934-L938 PolarHBondContact O-N 3.26Å
935	M	91.8	Very high	90.7	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.025	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-30.1	-177.7	-68.7	-59	-68	0	0	112.6	L767 R791 Y792 I857 F878 I931 E932 L938	L767-M935 HydrophobicContact CB-CE 4.4Å; L767-M935 HydrophobicContact CD1-SD 4.05Å; L767-M935 HydrophobicContact CD2-CG 4.41Å; L767-M935 HydrophobicContact CD2-SD 4.43Å; R791-M935 VanDerWaalsContact NH2-C 3.33Å; R791-M935 PolarHBondContact NH2-O 3.2Å; Y792-M935 WeakPolarHBondContact OH-CB 3.24Å; I857-M935 HydrophobicContact CD1-CE 3.79Å; I857-M935 HydrophobicContact CG2-CE 4.44Å; F878-M935 HydrophobicContact CD1-SD 3.93Å; F878-M935 HydrophobicContact CE1-SD 4.35Å; I931-M935 HydrophobicContact CG2-CG 4.21Å; I931-M935 WeakPolarHBondContact O-CB 3.33Å; I931-M935 WeakPolarHBondContact O-CG 3.35Å; I931-M935 PolarHBondContact O-N 3.42Å; E932-M935 PolarHBondContact O-N 3.42Å; M935-L938 HydrophobicContact CE-CD2 4.49Å; M935-L938 HydrophobicContact SD-CD2 4.01Å
936	E	88.6	Confident	90.5	Very high	107 Å²	107	44.7 Å²	44.7	50%	0.5	22%	0.218	S	C	.	.	H	α-helix	trans	-64.2	-45.3	170.5	-76.7	-177.7	174.3	0	0	112.3	E932 L934 H939	E932-E936 WeakPolarHBondContact O-CG 3.28Å; E932-E936 PolarHBondContact O-N 2.82Å; E932-E936 VanDerWaalsContact O-N 3.07Å; L934-E936 VanDerWaalsContact C-N 3.32Å; L934-E936 PolarHBondContact O-N 3.15Å; E936-H939 PolarHBondContact O-CE1 2.88Å; E936-H939 PolarHBondContact O-ND1 2.87Å; E936-H939 VanDerWaalsContact O-ND1 3.08Å
937	K	86.3	Confident	90	Very high	137 Å²	137	41.7 Å²	41.7	60%	0.596	20%	0.203	S	C	*	.	H	α-helix	trans	-79.3	-27	-176.8	-67.9	175.2	-176.9	173.5	0	113.2	M933 L934 H939 L940 S941	M933-K937 WeakPolarHBondContact O-CG 3.09Å; M933-K937 PolarHBondContact O-N 3Å; L934-K937 PolarHBondContact O-N 2.9Å; K937-H939 PolarHBondContact O-N 3.15Å; K937-L940 PolarHBondContact O-N 2.81Å; K937-L940 VanDerWaalsContact O-N 3.12Å; K937-S941 WeakPolarHBondContact O-CB 3.34Å; K937-S941 PolarHBondContact O-N 2.95Å; K937-S941 PolarHBondContact O-OG 3.18Å
938	L	87.9	Confident	89.3	Confident	4 Å²	4	45 Å²	45	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-53.8	-50.8	-169.2	-175.5	62.4	0	0	0	113.2	F679 R764 F878 L934 M935 L940 S941 Q943	F679-L938 HydrophobicContact CD2-CD1 3.78Å; F679-L938 HydrophobicContact CE2-CD1 4.09Å; F679-L938 HydrophobicContact CG-CD1 4.13Å; R764-L938 HydrophobicContact CB-CD2 4.45Å; R764-L938 HydrophobicContact CG-CD2 3.89Å; F878-L938 HydrophobicContact CB-CD2 4.28Å; F878-L938 HydrophobicContact CD1-CD2 3.9Å; F878-L938 HydrophobicContact CD2-CD1 4.09Å; F878-L938 HydrophobicContact CD2-CD2 3.61Å; F878-L938 HydrophobicContact CD2-CG 4.49Å; F878-L938 HydrophobicContact CE1-CD2 4.08Å; F878-L938 HydrophobicContact CE2-CD1 3.55Å; F878-L938 HydrophobicContact CE2-CD2 3.8Å; F878-L938 HydrophobicContact CE2-CG 4.34Å; F878-L938 HydrophobicContact CG-CD2 3.65Å; F878-L938 HydrophobicContact CZ-CD1 3.92Å; F878-L938 HydrophobicContact CZ-CD2 4.03Å; L934-L938 WeakPolarHBondContact O-CB 3.49Å; L934-L938 PolarHBondContact O-N 3.26Å; M935-L938 HydrophobicContact CE-CD2 4.49Å; M935-L938 HydrophobicContact SD-CD2 4.01Å; L938-L940 VanDerWaalsContact C-N 3.28Å; L938-L940 PolarHBondContact O-N 3.06Å; L938-S941 PolarHBondContact O-N 3.03Å; L938-S941 PolarHBondContact O-OG 3.12Å; L938-Q943 HydrophobicContact CD1-CG 4.05Å; L938-Q943 PolarHBondContact O-NE2 3.29Å
939	H	81.7	Confident	88.8	Confident	88 Å²	88	45.8 Å²	45.8	41%	0.407	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-21	-176.1	69.3	-83.1	0	0	0	114	E936 K937	E936-H939 PolarHBondContact O-CE1 2.88Å; E936-H939 PolarHBondContact O-ND1 2.87Å; E936-H939 VanDerWaalsContact O-ND1 3.08Å; K937-H939 PolarHBondContact O-N 3.15Å
940	L	82.6	Confident	87.7	Confident	124 Å²	124	44.2 Å²	44.2	65%	0.649	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-19.9	175.8	-59.9	176.2	0	0	0	112.3	K937 L938	K937-L940 PolarHBondContact O-N 2.81Å; K937-L940 VanDerWaalsContact O-N 3.12Å; L938-L940 VanDerWaalsContact C-N 3.28Å; L938-L940 PolarHBondContact O-N 3.06Å
941	S	82.7	Confident	85.6	Confident	15 Å²	15	48 Å²	48	11%	0.105	24%	0.24	C	C	.	.	S	Bend	trans	-89.7	145.9	-179.3	68.1	0	0	0	0	111.9	P760 K937 L938 Q943	P760-S941 CarbonylContact O-C 3.6Å; K937-S941 WeakPolarHBondContact O-CB 3.34Å; K937-S941 PolarHBondContact O-N 2.95Å; K937-S941 PolarHBondContact O-OG 3.18Å; L938-S941 PolarHBondContact O-N 3.03Å; L938-S941 PolarHBondContact O-OG 3.12Å; S941-Q943 PolarHBondContact O-N 3.14Å
942	P	86.5	Confident	85.1	Confident	34 Å²	34	50.4 Å²	50.4	22%	0.221	25%	0.252	C	S	.	.			trans	-58.2	136.3	169.1	-23.9	34.2	0	0	0	111.1	G680 S683 R758 L759	G680-P942 PolarHBondContact N-O 3.08Å; S683-P942 PolarHBondContact OG-O 3.41Å; R758-P942 HydrophobicContact CG-CB 4.32Å; L759-P942 VanDerWaalsContact O-CA 3.24Å; L759-P942 WeakPolarHBondContact O-CA 3.21Å
943	Q	89.2	Confident	84.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.5	-178.9	-72.7	173.2	61	0	0	110	F679 R758 L759 F762 L938 S941 I945	F679-Q943 HydrophobicContact CB-CG 4.15Å; R758-Q943 WeakPolarHBondContact CA-O 3.46Å; L759-Q943 PolarHBondContact N-O 2.68Å; L759-Q943 PolarHBondContact O-N 3.27Å; F762-Q943 HydrophobicContact CB-CB 4.49Å; F762-Q943 PolarHBondContact O-NE2 3.08Å; L938-Q943 HydrophobicContact CD1-CG 4.05Å; L938-Q943 PolarHBondContact O-NE2 3.29Å; S941-Q943 PolarHBondContact O-N 3.14Å; Q943-I945 HydrophobicContact CB-CG2 4.21Å
944	W	90.1	Very high	84.2	Confident	15 Å²	15	49.2 Å²	49.2	6%	0.057	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	120.2	163.8	-68.8	97.8	0	0	0	108.5	Y627 I656 V673 S678 V756 R758	Y627-W944 AromaticContact CD1-CH2 3.42Å; Y627-W944 HydrophobicContact CD1-CH2 3.42Å; Y627-W944 VanDerWaalsContact CD1-CH2 3.42Å; Y627-W944 HydrophobicContact CD1-CZ2 4.4Å; Y627-W944 AromaticContact CD1-CZ3 3.87Å; Y627-W944 HydrophobicContact CD1-CZ3 3.87Å; Y627-W944 HydrophobicContact CD2-CH2 4.31Å; Y627-W944 HydrophobicContact CD2-CZ3 4.26Å; Y627-W944 AromaticContact CE1-CH2 3.86Å; Y627-W944 HydrophobicContact CE1-CH2 3.86Å; Y627-W944 AromaticContact CG-CH2 3.67Å; Y627-W944 HydrophobicContact CG-CH2 3.67Å; Y627-W944 AromaticContact CG-CZ3 3.64Å; Y627-W944 HydrophobicContact CG-CZ3 3.64Å; I656-W944 HydrophobicContact CD1-CB 4.08Å; I656-W944 HydrophobicContact CD1-CD2 4.38Å; I656-W944 HydrophobicContact CD1-CG 4.03Å; I656-W944 HydrophobicContact CG1-CB 4.41Å; I656-W944 HydrophobicContact CG1-CD2 4.05Å; I656-W944 HydrophobicContact CG1-CG 3.85Å; I656-W944 HydrophobicContact CG2-CD2 4Å; I656-W944 HydrophobicContact CG2-CE3 4.1Å; I656-W944 HydrophobicContact CG2-CH2 4.03Å; I656-W944 HydrophobicContact CG2-CZ2 3.91Å; I656-W944 HydrophobicContact CG2-CZ3 4.12Å; V673-W944 HydrophobicContact CG1-CZ2 4.11Å; S678-W944 VanDerWaalsContact O-CD1 3.23Å; V756-W944 HydrophobicContact CB-CE3 4.17Å; V756-W944 HydrophobicContact CG2-CD2 4.41Å; V756-W944 HydrophobicContact CG2-CE3 3.62Å; V756-W944 HydrophobicContact CG2-CZ3 4.22Å; R758-W944 HydrophobicContact CB-CD2 3.82Å; R758-W944 HydrophobicContact CB-CE3 3.7Å; R758-W944 HydrophobicContact CB-CH2 3.75Å; R758-W944 HydrophobicContact CB-CZ2 3.86Å; R758-W944 HydrophobicContact CB-CZ3 3.66Å; R758-W944 HydrophobicContact CG-CD2 4.31Å; R758-W944 HydrophobicContact CG-CZ2 4.25Å
945	I	89.6	Confident	83.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.2	-179.5	59.1	174.3	0	0	0	110.3	V756 V757 L759 F762 Q943 V947 W949 V950	V756-I945 CarbonylContact C-O 3.59Å; V756-I945 WeakPolarHBondContact CA-O 3.06Å; V756-I945 WeakPolarHBondContact CB-O 3.38Å; V757-I945 HydrophobicContact CG1-CG1 3.95Å; V757-I945 PolarHBondContact N-O 3.02Å; V757-I945 PolarHBondContact O-N 3.35Å; L759-I945 HydrophobicContact CD1-CD1 3.34Å; L759-I945 HydrophobicContact CD1-CG1 4.35Å; L759-I945 HydrophobicContact CG-CD1 3.75Å; L759-I945 HydrophobicContact CG-CG1 4.24Å; F762-I945 HydrophobicContact CD1-CD1 4.38Å; F762-I945 HydrophobicContact CD1-CG2 3.77Å; F762-I945 HydrophobicContact CD2-CD1 3.53Å; F762-I945 HydrophobicContact CE1-CD1 4.39Å; F762-I945 HydrophobicContact CE1-CG2 4.01Å; F762-I945 HydrophobicContact CE2-CD1 3.53Å; F762-I945 HydrophobicContact CG-CD1 3.96Å; F762-I945 HydrophobicContact CG-CG2 4.12Å; F762-I945 HydrophobicContact CZ-CD1 3.98Å; Q943-I945 HydrophobicContact CB-CG2 4.21Å; I945-V947 PolarHBondContact O-N 3.28Å; I945-W949 HydrophobicContact CB-CE3 4.39Å; I945-V950 HydrophobicContact CD1-CG2 3.46Å; I945-V950 VanDerWaalsContact CD1-CG2 3.46Å; I945-V950 HydrophobicContact CG1-CG2 4.09Å
946	P	89.9	Confident	83.2	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	134.5	174.5	-25	35.5	0	0	0	110.7	E754 S948 W949	E754-P946 HydrophobicContact CG-CB 4.31Å; E754-P946 HydrophobicContact CG-CG 4.45Å; E754-P946 VanDerWaalsContact OE1-CG 3.32Å; E754-P946 WeakPolarHBondContact OE1-CG 3.32Å; P946-S948 PolarHBondContact O-N 2.84Å; P946-W949 HydrophobicContact CB-CD2 4.27Å; P946-W949 HydrophobicContact CB-CG 4.04Å; P946-W949 HydrophobicContact CG-CD2 3.9Å; P946-W949 HydrophobicContact CG-CE3 4.44Å; P946-W949 HydrophobicContact CG-CG 4.22Å; P946-W949 HydrophobicContact CG-CZ2 3.98Å; P946-W949 WeakPolarHBondContact O-CB 3.47Å; P946-W949 PolarHBondContact O-N 2.81Å
947	V	85.1	Confident	82.8	Confident	30 Å²	30	50.3 Å²	50.3	18%	0.182	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-52.8	-40.4	176.2	160.6	0	0	0	0	110.1	E755 V757 I945 W949 V950 Y951	E755-V947 HydrophobicContact CB-CB 4.36Å; E755-V947 HydrophobicContact CB-CG2 4.12Å; E755-V947 HydrophobicContact CG-CB 4.45Å; E755-V947 HydrophobicContact CG-CG2 3.8Å; E755-V947 PolarHBondContact O-N 2.97Å; V757-V947 HydrophobicContact CB-CG2 4.22Å; V757-V947 HydrophobicContact CG1-CG2 4.46Å; I945-V947 PolarHBondContact O-N 3.28Å; V947-W949 PolarHBondContact O-N 2.73Å; V947-V950 PolarHBondContact O-N 3Å; V947-V950 VanDerWaalsContact O-N 3.08Å; V947-Y951 HydrophobicContact CB-CE2 4.48Å; V947-Y951 HydrophobicContact CG1-CD2 3.8Å; V947-Y951 HydrophobicContact CG1-CE2 3.4Å; V947-Y951 WeakPolarHBondContact O-CD2 3.37Å
948	S	81.6	Confident	82.6	Confident	74 Å²	74	44.1 Å²	44.1	52%	0.517	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-60.8	-8.9	177	59.3	0	0	0	0	115.6	P946	P946-S948 PolarHBondContact O-N 2.84Å
949	W	86	Confident	82.2	Confident	17 Å²	17	47.2 Å²	47.2	6%	0.064	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-94.6	-12.1	176.9	-65	9.8	0	0	0	114	F762 R871 A873 P877 I945 P946 V947	F762-W949 HydrophobicContact CE1-CE3 4.04Å; F762-W949 HydrophobicContact CE1-CZ3 4.33Å; F762-W949 HydrophobicContact CZ-CE3 4.06Å; R871-W949 PolarHBondContact O-NE1 3.45Å; A873-W949 HydrophobicContact CB-CB 4.11Å; A873-W949 HydrophobicContact CB-CG 4.32Å; P877-W949 HydrophobicContact CG-CH2 4.17Å; P877-W949 HydrophobicContact CG-CZ2 4.48Å; I945-W949 HydrophobicContact CB-CE3 4.39Å; P946-W949 HydrophobicContact CB-CD2 4.27Å; P946-W949 HydrophobicContact CB-CG 4.04Å; P946-W949 HydrophobicContact CG-CD2 3.9Å; P946-W949 HydrophobicContact CG-CE3 4.44Å; P946-W949 HydrophobicContact CG-CG 4.22Å; P946-W949 HydrophobicContact CG-CZ2 3.98Å; P946-W949 WeakPolarHBondContact O-CB 3.47Å; P946-W949 PolarHBondContact O-N 2.81Å; V947-W949 PolarHBondContact O-N 2.73Å
950	V	73.7	Confident	82.2	Confident	68 Å²	68	43.8 Å²	43.8	41%	0.412	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-36.4	-178.1	-177.9	0	0	0	0	112	V757 L759 I945 V947	V757-V950 HydrophobicContact CG1-CB 4.46Å; V757-V950 HydrophobicContact CG1-CG2 3.58Å; L759-V950 HydrophobicContact CD1-CG2 4.04Å; I945-V950 HydrophobicContact CD1-CG2 3.46Å; I945-V950 VanDerWaalsContact CD1-CG2 3.46Å; I945-V950 HydrophobicContact CG1-CG2 4.09Å; V947-V950 PolarHBondContact O-N 3Å; V947-V950 VanDerWaalsContact O-N 3.08Å
951	Y	49.6	Very low	82.2	Confident	142 Å²	142	36.5 Å²	36.5	56%	0.557	20%	0.196	S	C	*	.			trans	-76.3	0	168.4	-55.5	-79.1	0	0	0	108.1	Q517 V947	Q517-Y951 PolarHBondContact NE2-O 3.31Å; Q517-Y951 PolarHBondContact NE2-OXT 2.81Å; Q517-Y951 PolarHBondContact OE1-O 2.96Å; V947-Y951 HydrophobicContact CB-CE2 4.48Å; V947-Y951 HydrophobicContact CG1-CD2 3.8Å; V947-Y951 HydrophobicContact CG1-CE2 3.4Å; V947-Y951 WeakPolarHBondContact O-CD2 3.37Å

Retrieved 951 of 951 residues in 757.3 ms (Link to these results)

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