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Trehalose 6 phosphate synthase

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone. Catalyzes the production of trehalose from glucose-6-phosphate and UDP-alpha-D-glucose in a 2 step process.

AlphaFold DB , UniProt , Accession A0A077Z746, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,289 aa.

						>A0A077Z746_TRITR|A0A077Z746
MSCNHQEGASKTKKLGPPFVQAPENVGSHDFETIASTMQQLIKGIDSTCTFSFETAERSENTSCAYLYEYATPILTKCYENKDGPFEEANQGLMLLLEHCLAFHLTNLACISHFVQGLGNSVGDFLRENYNCIAHCDRKRNTAYCVVLMQQLTLYDIVSATGILNIVFFKVPALKEVILTEQPRGDVSTTSGANSPNQRVNKNQLTYVKQEEGCEETQRMIPEQEQARLVAISNAPPIKIRMDESGSVKIEQGSGGLVTCCEPALRDNPNNVWLVCLGSSIPVATPPGRGNAIPTKDAETSKITLVEDRLKEFCRDHYQLYLVSVPKQDYDIYYGGISNGLLWPALHHLNEYVAQEYENPFILTDHWHAYMRVNFYFAVDALRKCGNLDFLWVHDYHLTLVAMIIRIYKPKIETGFFLHIPFDPSKDFFAKYHPMATIILRALLKFQKLGFQTTRDATRFVGYIQERLDGVVVVENTAKQKWYAEYQGVKCSIGVFPVSVKNEDFLKLTYDQEIQTMANAVREQIMGRRTGKLFLSAERLDYTKGIRERLIALELYMNKYPERAENDRFIQVAIINRSSIRAYRKYQEGCLEIARRIQGRFETEEKCPLIMITSGLPRRVLVAHYLAMDIGLVTSSADGMNLVAKEMLLCNPKARLVLSIGTGFESQLCQAGFYPEKGEKYYMRVDNIKNAEQYCDILYKAATEEPRAAARHGRRLQQFIVNNDIEKWRQNYLDPLWDDKRWESSNVTTLEEFYRVARKIRHLRRRIVTNVCQGLGSRKRDWASLDNMLTSLMQSCPANELTKIRVKTRAGNDLLIDVNNELVQLHKELKFSQILPLANRDLDFKTFSSLLAEYTAISTVDFAEEIRKARRLIGRKAMFDFFVSSFYGTLTRRTSTTLMSQQPMYGALVVNSFARQCTARTVIISATGLRNHGLLDDFPVDTKSIDFGGFMGQEWKFFSQDFEMYSCLPVFPASIQEHMVRLYQRVREAANDPGNEIFNIIGGGICLHTHCLKVPQQDCYSSIPMPEANRWYSHVKDIVADVGTLSSLCDVQDNGTHIIVQMKQSGLNGKFTKADGLAVYCEKMGISIGQQKVLVCGSSLSDLPMVEYLLSRSAENVSAVWVESNVLVRHAVTSLFKKYGNNSLAFVAFPEVLIAALAEPLLVDEMRRMFAEPSLVFLCVLSGIRLNGPLQDVFSKLLTMQGTPCENFELNYMRCVEAYGHILAKRYCDLELRDFYECYYHTKSEQRFHKIREERMRQFLNGDRDRPFEEEKVPLHASSEDYFSHNRVW
					

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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	33.2	Very low	29.5	Very low	244 Å²	244	151.7 Å²	151.7	100%	1.202	86%	0.857	S	S	*	*				0	115.4	0	-79	-179.6	171	0	0	107.7	C3	M1-C3 PolarHBondContact O-N 3.09Å
2	S	26.4	Very low	30.1	Very low	118 Å²	118	149.5 Å²	149.5	83%	0.825	85%	0.85	S	S	*	*			trans	-74.3	110.1	174.1	49.6	0	0	0	0	109.5
3	C	28.2	Very low	31.2	Very low	110 Å²	110	151 Å²	151	74%	0.743	84%	0.841	S	S	*	*			trans	-107.2	104.7	159.3	-84.5	0	0	0	0	108	M1 H5	M1-C3 PolarHBondContact O-N 3.09Å; C3-H5 PolarHBondContact O-N 3.13Å
4	N	28.6	Very low	32.3	Very low	159 Å²	159	154.6 Å²	154.6	85%	0.85	84%	0.843	S	S	*	*			trans	-64.4	115.9	160.1	-76.3	-22.7	0	0	0	107.9
5	H	31	Very low	33.9	Very low	169 Å²	169	146.9 Å²	146.9	78%	0.782	80%	0.801	S	S	*	*			trans	-117.6	104.3	161.9	-93.4	-56.9	0	0	0	110.3	C3	C3-H5 PolarHBondContact O-N 3.13Å
6	Q	27	Very low	35.6	Very low	180 Å²	180	138.9 Å²	138.9	84%	0.841	76%	0.763	S	S	*	*			trans	-5.5	122.2	159.8	-69.5	171	-27.5	0	0	118.2	G8	Q6-G8 PolarHBondContact O-N 3.29Å
7	E	27.1	Very low	37.5	Very low	207 Å²	207	135 Å²	135	97%	0.967	75%	0.746	S	S	*	*	S	Bend	trans	-59	120.3	152.7	-68.4	175.8	142	0	0	110.1
8	G	27.8	Very low	39.4	Very low	79 Å²	79	128.1 Å²	128.1	81%	0.814	71%	0.708	S	S	*	*			trans	172.6	27.8	176.6	0	0	0	0	0	114.5	Q6	Q6-G8 PolarHBondContact O-N 3.29Å
9	A	30.3	Very low	41.2	Very low	95 Å²	95	121.6 Å²	121.6	79%	0.785	67%	0.672	S	S	*	*			trans	-107.5	108.5	173.9	0	0	0	0	0	109.4	K11	A9-K11 PolarHBondContact O-N 3.34Å
10	S	31.8	Very low	42.4	Very low	106 Å²	106	119.3 Å²	119.3	74%	0.741	66%	0.661	S	S	*	*			trans	-36.5	124.8	161.3	169.7	0	0	0	0	110.1	T12	S10-T12 VanDerWaalsContact C-N 3.27Å; S10-T12 PolarHBondContact O-N 3.35Å
11	K	33.5	Very low	43.2	Very low	202 Å²	202	116.1 Å²	116.1	88%	0.878	64%	0.642	S	S	*	*			trans	-62.8	86.3	177.5	-74.8	-180	176.7	176.9	0	109.4	A9 K13	A9-K11 PolarHBondContact O-N 3.34Å; K11-K13 PolarHBondContact O-N 2.65Å; K11-K13 VanDerWaalsContact O-N 3.09Å
12	T	35.7	Very low	44.2	Very low	125 Å²	125	106 Å²	106	77%	0.767	60%	0.597	S	S	*	*			trans	-61	109.7	166.9	37.4	0	0	0	0	107.9	S10 K14	S10-T12 VanDerWaalsContact C-N 3.27Å; S10-T12 PolarHBondContact O-N 3.35Å; T12-K14 PolarHBondContact O-N 3.36Å
13	K	44.3	Very low	45.3	Very low	169 Å²	169	102.6 Å²	102.6	74%	0.735	57%	0.572	S	S	*	*			trans	-60.2	109.4	172.9	-76.6	178.3	176.7	175.4	0	107.6	K11 L15	K11-K13 PolarHBondContact O-N 2.65Å; K11-K13 VanDerWaalsContact O-N 3.09Å; K13-L15 PolarHBondContact O-N 2.91Å
14	K	47.7	Very low	46.2	Very low	201 Å²	201	105.9 Å²	105.9	87%	0.874	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-64.7	127.5	170.2	-85.3	-175	171.5	-176.3	0	109	T12	T12-K14 PolarHBondContact O-N 3.36Å
15	L	56.5	Low	47.2	Very low	39 Å²	39	102.6 Å²	102.6	20%	0.204	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-60.6	138.9	167.9	-103.6	96.6	0	0	0	109.4	K13 T33 I34 L95	K13-L15 PolarHBondContact O-N 2.91Å; L15-T33 HydrophobicContact CD1-CG2 3.25Å; L15-I34 HydrophobicContact CD1-CG1 4.34Å; L15-I34 HydrophobicContact CD2-CG1 4.01Å; L15-L95 HydrophobicContact CD2-CD2 3.72Å
16	G	60	Low	47.9	Very low	19 Å²	19	96 Å²	96	20%	0.196	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-72.2	170.9	168.9	0	0	0	0	0	111.5
17	P	67.7	Low	48.8	Very low	73 Å²	73	91.3 Å²	91.3	47%	0.474	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-58.7	143.9	173.9	20.3	-27.1	0	0	0	111.1	V20	P17-V20 HydrophobicContact CB-CB 4.42Å; P17-V20 HydrophobicContact CB-CG2 3.92Å; P17-V20 HydrophobicContact CG-CB 3.86Å; P17-V20 HydrophobicContact CG-CG1 4.18Å; P17-V20 HydrophobicContact CG-CG2 3.73Å; P17-V20 VanDerWaalsContact O-CB 3.31Å; P17-V20 WeakPolarHBondContact O-CB 3.36Å; P17-V20 PolarHBondContact O-N 3.45Å
18	P	73.3	Confident	49.7	Very low	11 Å²	11	83.5 Å²	83.5	7%	0.071	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	146.1	-176.1	25.5	-33.8	0	0	0	111.5	V20 Q91 M94 L95 E98	P18-V20 PolarHBondContact O-N 3.47Å; P18-Q91 HydrophobicContact CG-CG 4.3Å; P18-M94 HydrophobicContact CB-CB 3.85Å; P18-M94 HydrophobicContact CG-CB 3.56Å; P18-M94 HydrophobicContact CG-CE 3.73Å; P18-M94 HydrophobicContact CG-SD 4.25Å; P18-L95 HydrophobicContact CB-CD2 3.89Å; P18-L95 HydrophobicContact CB-CG 4.01Å; P18-L95 HydrophobicContact CG-CD2 4.39Å; P18-L95 HydrophobicContact CG-CG 4.17Å; P18-E98 WeakPolarHBondContact CA-OE2 3.29Å
19	F	72.3	Confident	51	Low	4 Å²	4	80.3 Å²	80.3	2%	0.018	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	22.5	-175.9	-54.4	-78.6	0	0	0	113.8	M94 L97 E98 L101 I133 C136 R140 Y144	F19-M94 HydrophobicContact CD2-CB 4.49Å; F19-M94 HydrophobicContact CD2-SD 4.27Å; F19-M94 HydrophobicContact CE2-CB 4.07Å; F19-M94 HydrophobicContact CE2-CG 4.31Å; F19-M94 HydrophobicContact CE2-SD 4.4Å; F19-L97 HydrophobicContact CZ-CB 4.3Å; F19-L97 HydrophobicContact CZ-CD2 4.11Å; F19-L97 HydrophobicContact CZ-CG 4.09Å; F19-E98 WeakPolarHBondContact CA-OE1 3.31Å; F19-E98 HydrophobicContact CD1-CB 4.28Å; F19-E98 HydrophobicContact CD1-CG 4.23Å; F19-E98 HydrophobicContact CE1-CB 3.87Å; F19-E98 HydrophobicContact CE1-CG 4.17Å; F19-E98 HydrophobicContact CE2-CB 4.18Å; F19-E98 HydrophobicContact CZ-CB 3.81Å; F19-E98 PolarHBondContact N-OE1 2.89Å; F19-E98 PolarHBondContact N-OE2 3.49Å; F19-L101 HydrophobicContact CE1-CD1 4.23Å; F19-I133 HydrophobicContact CD1-CG1 4.4Å; F19-I133 HydrophobicContact CE1-CG1 4Å; F19-I133 HydrophobicContact CE2-CG1 4.3Å; F19-I133 HydrophobicContact CZ-CD1 4.5Å; F19-I133 HydrophobicContact CZ-CG1 3.94Å; F19-C136 HydrophobicContact CB-CB 4.2Å; F19-C136 HydrophobicContact CD1-CB 4.47Å; F19-R140 PolarHBondContact O-NH1 3.44Å; F19-Y144 AromaticContact CD1-CD2 3.81Å; F19-Y144 HydrophobicContact CD1-CD2 3.81Å; F19-Y144 HydrophobicContact CD1-CE2 4.01Å; F19-Y144 AromaticContact CE1-CD2 3.9Å; F19-Y144 HydrophobicContact CE1-CD2 3.9Å; F19-Y144 HydrophobicContact CE1-CE2 4.26Å
20	V	66.2	Low	52.6	Low	76 Å²	76	78.8 Å²	78.8	46%	0.461	44%	0.441	S	S	.	.			trans	-113.5	-13.1	177.9	-171.6	0	0	0	0	113.8	P17 P18 R140	P17-V20 HydrophobicContact CB-CB 4.42Å; P17-V20 HydrophobicContact CB-CG2 3.92Å; P17-V20 HydrophobicContact CG-CB 3.86Å; P17-V20 HydrophobicContact CG-CG1 4.18Å; P17-V20 HydrophobicContact CG-CG2 3.73Å; P17-V20 VanDerWaalsContact O-CB 3.31Å; P17-V20 WeakPolarHBondContact O-CB 3.36Å; P17-V20 PolarHBondContact O-N 3.45Å; P18-V20 PolarHBondContact O-N 3.47Å; V20-R140 VanDerWaalsContact CA-NH1 3.26Å; V20-R140 VanDerWaalsContact CA-NH2 3.28Å; V20-R140 PolarHBondContact O-NE 3.24Å; V20-R140 PolarHBondContact O-NH1 2.99Å; V20-R140 PolarHBondContact O-NH2 3.41Å
21	Q	58.4	Low	54.5	Low	52 Å²	52	74.4 Å²	74.4	24%	0.243	41%	0.409	C	S	.	.	S	Bend	trans	-91.5	155.1	-178.4	-63.2	-169.6	-10.1	0	0	113.4	R140	Q21-R140 WeakPolarHBondContact O-CD 3.31Å; Q21-R140 PolarHBondContact O-NE 3.37Å; Q21-R140 PolarHBondContact O-NH1 3.15Å
22	A	55.1	Low	56.3	Low	33 Å²	33	70 Å²	70	27%	0.273	39%	0.391	S	S	.	.			trans	-72.8	143.8	177.3	0	0	0	0	0	112	E24 N25	A22-E24 PolarHBondContact O-N 2.85Å; A22-N25 WeakPolarHBondContact O-CA 3.39Å; A22-N25 WeakPolarHBondContact O-CB 3.33Å; A22-N25 PolarHBondContact O-N 3.16Å
23	P	49.3	Very low	58.2	Low	46 Å²	46	65.6 Å²	65.6	30%	0.299	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-61.3	-27.1	179.6	20.3	-30.1	0	0	0	113.1	N25 V26 T142	P23-N25 PolarHBondContact O-N 2.9Å; P23-V26 HydrophobicContact CB-CG2 4.4Å; P23-V26 WeakPolarHBondContact O-CB 3.42Å; P23-V26 WeakPolarHBondContact O-CG2 3.28Å; P23-V26 PolarHBondContact O-N 3.3Å; P23-T142 HydrophobicContact CB-CG2 4.33Å; P23-T142 HydrophobicContact CG-CG2 4.41Å
24	E	47.2	Very low	59.7	Low	179 Å²	179	57.7 Å²	57.7	84%	0.836	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-60.4	-26	173.9	-49.8	178.5	-126.1	0	0	112.3	A22	A22-E24 PolarHBondContact O-N 2.85Å
25	N	49.1	Very low	61.2	Low	90 Å²	90	48.3 Å²	48.3	48%	0.481	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-91.3	12.6	174.5	-68.1	-23.1	0	0	0	112.5	A22 P23 G27 S28	A22-N25 WeakPolarHBondContact O-CA 3.39Å; A22-N25 WeakPolarHBondContact O-CB 3.33Å; A22-N25 PolarHBondContact O-N 3.16Å; P23-N25 PolarHBondContact O-N 2.9Å; N25-G27 PolarHBondContact O-N 2.98Å; N25-S28 WeakPolarHBondContact O-CA 3.38Å; N25-S28 WeakPolarHBondContact O-CB 3.49Å; N25-S28 PolarHBondContact O-N 3.33Å; N25-S28 PolarHBondContact O-OG 3.49Å
26	V	45.4	Very low	62.2	Low	31 Å²	31	48.8 Å²	48.8	19%	0.188	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-64.1	-26.1	179.5	168	0	0	0	0	112.2	P23 S28 H29 A102 F103	P23-V26 HydrophobicContact CB-CG2 4.4Å; P23-V26 WeakPolarHBondContact O-CB 3.42Å; P23-V26 WeakPolarHBondContact O-CG2 3.28Å; P23-V26 PolarHBondContact O-N 3.3Å; V26-S28 PolarHBondContact O-N 3.11Å; V26-S28 VanDerWaalsContact O-N 3.07Å; V26-H29 WeakPolarHBondContact O-CB 3.24Å; V26-H29 PolarHBondContact O-N 3.46Å; V26-A102 HydrophobicContact CG1-CB 4.14Å; V26-F103 HydrophobicContact CG1-CE1 4.38Å; V26-F103 HydrophobicContact CG1-CZ 4.02Å
27	G	46.3	Very low	63.2	Low	80 Å²	80	49.4 Å²	49.4	83%	0.825	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-62.1	-9.9	166.3	0	0	0	0	0	114.4	N25	N25-G27 PolarHBondContact O-N 2.98Å
28	S	45	Very low	64	Low	44 Å²	44	45.9 Å²	45.9	31%	0.308	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-94.9	-3.4	172.6	80.5	0	0	0	0	114.3	N25 V26 D30	N25-S28 WeakPolarHBondContact O-CA 3.38Å; N25-S28 WeakPolarHBondContact O-CB 3.49Å; N25-S28 PolarHBondContact O-N 3.33Å; N25-S28 PolarHBondContact O-OG 3.49Å; V26-S28 PolarHBondContact O-N 3.11Å; V26-S28 VanDerWaalsContact O-N 3.07Å; S28-D30 PolarHBondContact O-N 2.83Å
29	H	56.1	Low	64.3	Low	11 Å²	11	47.1 Å²	47.1	5%	0.051	28%	0.278	C	S	.	.			trans	-75.8	56.7	159.6	-65.9	-63.7	0	0	0	109.2	V26 F31 I34 E98 F103	V26-H29 WeakPolarHBondContact O-CB 3.24Å; V26-H29 PolarHBondContact O-N 3.46Å; H29-F31 PolarHBondContact O-N 2.6Å; H29-F31 VanDerWaalsContact O-N 3.12Å; H29-I34 HydrophobicContact CB-CD1 3.97Å; H29-E98 IonicContact CE1-OE2 2.83Å; H29-F103 HydrophobicContact CB-CE2 3.72Å; H29-F103 HydrophobicContact CB-CZ 4.13Å
30	D	64.2	Low	64.7	Low	64 Å²	64	53.4 Å²	53.4	34%	0.342	31%	0.308	S	S	.	.			trans	-57.6	117.1	168.4	165.7	28.6	0	0	0	107.5	S28 E32 T33 I34	S28-D30 PolarHBondContact O-N 2.83Å; D30-E32 PolarHBondContact O-N 3.42Å; D30-E32 WeakPolarHBondContact OD1-CB 3.32Å; D30-E32 PolarHBondContact OD1-N 3.21Å; D30-T33 WeakPolarHBondContact O-CA 3.21Å; D30-T33 WeakPolarHBondContact O-CB 3.42Å; D30-T33 PolarHBondContact O-N 3.23Å; D30-T33 PolarHBondContact OD2-N 3.15Å; D30-T33 PolarHBondContact OD2-OG1 2.96Å; D30-I34 PolarHBondContact O-N 3.22Å
31	F	71.5	Confident	65.4	Low	14 Å²	14	51.2 Å²	51.2	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-32.8	-178.5	174.5	-100.8	0	0	0	111.1	H29 T33 I34 A35 F53 S63 C64 L67 H99	H29-F31 PolarHBondContact O-N 2.6Å; H29-F31 VanDerWaalsContact O-N 3.12Å; F31-T33 VanDerWaalsContact C-N 3.33Å; F31-T33 PolarHBondContact O-N 2.79Å; F31-I34 PolarHBondContact O-N 3.09Å; F31-A35 HydrophobicContact CE1-CB 4.43Å; F31-A35 HydrophobicContact CZ-CB 4.43Å; F31-A35 VanDerWaalsContact O-CB 3.29Å; F31-A35 WeakPolarHBondContact O-CB 3.19Å; F31-A35 PolarHBondContact O-N 2.52Å; F31-F53 AromaticContact CE1-CE1 3.61Å; F31-F53 HydrophobicContact CE1-CE1 3.61Å; F31-F53 HydrophobicContact CE1-CE2 4.43Å; F31-F53 AromaticContact CE1-CZ 3.37Å; F31-F53 HydrophobicContact CE1-CZ 3.37Å; F31-F53 HydrophobicContact CZ-CE1 4.19Å; F31-F53 HydrophobicContact CZ-CE2 4.22Å; F31-F53 AromaticContact CZ-CZ 3.54Å; F31-F53 HydrophobicContact CZ-CZ 3.54Å; F31-S63 WeakPolarHBondContact CE1-OG 3.46Å; F31-C64 WeakPolarHBondContact CD2-SG 3.33Å; F31-C64 HydrophobicContact CE2-CB 3.94Å; F31-C64 WeakPolarHBondContact CE2-SG 3.21Å; F31-C64 VanDerWaalsContact CZ-CA 3.5Å; F31-C64 HydrophobicContact CZ-CB 4.24Å; F31-L67 HydrophobicContact CE2-CB 4.45Å; F31-L67 HydrophobicContact CE2-CD2 3.72Å; F31-L67 HydrophobicContact CZ-CB 4.25Å; F31-L67 HydrophobicContact CZ-CD2 4.05Å; F31-H99 AromaticContact CD2-CE1 3.96Å; F31-H99 AromaticContact CD2-NE2 3.84Å
32	E	71.8	Confident	66.6	Low	110 Å²	110	48.8 Å²	48.8	51%	0.514	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-41.1	174.8	-59.1	-168.8	154.5	0	0	111.6	D30 A35 S36 T55	D30-E32 PolarHBondContact O-N 3.42Å; D30-E32 WeakPolarHBondContact OD1-CB 3.32Å; D30-E32 PolarHBondContact OD1-N 3.21Å; E32-A35 PolarHBondContact O-N 2.94Å; E32-S36 VanDerWaalsContact O-CB 3.29Å; E32-S36 WeakPolarHBondContact O-CB 3.29Å; E32-S36 PolarHBondContact O-N 3.46Å; E32-T55 HydrophobicContact CG-CG2 4.16Å
33	T	74.1	Confident	67.8	Low	31 Å²	31	52.4 Å²	52.4	19%	0.19	29%	0.291	C	S	.	.	H	α-helix	trans	-68.7	-38.6	178.3	-51	0	0	0	0	111.3	L15 D30 F31 T37	L15-T33 HydrophobicContact CD1-CG2 3.25Å; D30-T33 WeakPolarHBondContact O-CA 3.21Å; D30-T33 WeakPolarHBondContact O-CB 3.42Å; D30-T33 PolarHBondContact O-N 3.23Å; D30-T33 PolarHBondContact OD2-N 3.15Å; D30-T33 PolarHBondContact OD2-OG1 2.96Å; F31-T33 VanDerWaalsContact C-N 3.33Å; F31-T33 PolarHBondContact O-N 2.79Å; T33-T37 WeakPolarHBondContact O-CB 3.29Å; T33-T37 PolarHBondContact O-N 3.33Å; T33-T37 PolarHBondContact O-OG1 2.79Å
34	I	77.1	Confident	69.1	Low	4 Å²	4	53.4 Å²	53.4	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-47.6	174.2	-68.3	167.9	0	0	0	110.6	L15 H29 D30 F31 S36 T37 M38 L67 H99	L15-I34 HydrophobicContact CD1-CG1 4.34Å; L15-I34 HydrophobicContact CD2-CG1 4.01Å; H29-I34 HydrophobicContact CB-CD1 3.97Å; D30-I34 PolarHBondContact O-N 3.22Å; F31-I34 PolarHBondContact O-N 3.09Å; I34-S36 VanDerWaalsContact C-N 3.33Å; I34-S36 PolarHBondContact O-N 3.32Å; I34-T37 PolarHBondContact O-N 2.91Å; I34-M38 HydrophobicContact CG2-CG 4.33Å; I34-M38 WeakPolarHBondContact O-CB 3.33Å; I34-M38 WeakPolarHBondContact O-CG 3.36Å; I34-M38 PolarHBondContact O-N 3.46Å; I34-L67 HydrophobicContact CG2-CD2 4.36Å; I34-H99 HydrophobicContact CD1-CB 3.9Å; I34-H99 WeakPolarHBondContact CD1-CD2 3.32Å
35	A	78	Confident	70.4	Confident	3 Å²	3	46.5 Å²	46.5	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-43	177.9	0	0	0	0	0	111.5	F31 E32 M38 Q39 F53 L67	F31-A35 HydrophobicContact CE1-CB 4.43Å; F31-A35 HydrophobicContact CZ-CB 4.43Å; F31-A35 VanDerWaalsContact O-CB 3.29Å; F31-A35 WeakPolarHBondContact O-CB 3.19Å; F31-A35 PolarHBondContact O-N 2.52Å; E32-A35 PolarHBondContact O-N 2.94Å; A35-M38 PolarHBondContact O-N 3.14Å; A35-Q39 WeakPolarHBondContact O-CG 3.35Å; A35-Q39 PolarHBondContact O-N 3.39Å; A35-F53 HydrophobicContact CB-CD1 4.15Å; A35-F53 HydrophobicContact CB-CE1 4.29Å; A35-F53 HydrophobicContact CB-CG 4.36Å; A35-L67 HydrophobicContact CB-CD2 4.24Å
36	S	79	Confident	71.5	Confident	49 Å²	49	45.1 Å²	45.1	34%	0.343	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-44.3	175	-173.1	0	0	0	0	112.1	E32 I34 Q39 Q40	E32-S36 VanDerWaalsContact O-CB 3.29Å; E32-S36 WeakPolarHBondContact O-CB 3.29Å; E32-S36 PolarHBondContact O-N 3.46Å; I34-S36 VanDerWaalsContact C-N 3.33Å; I34-S36 PolarHBondContact O-N 3.32Å; S36-Q39 PolarHBondContact O-N 2.81Å; S36-Q40 WeakPolarHBondContact O-CG 3.4Å; S36-Q40 PolarHBondContact O-N 2.66Å; S36-Q40 VanDerWaalsContact O-N 3.09Å
37	T	80.5	Confident	72.8	Confident	32 Å²	32	49 Å²	49	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-42.9	176.8	-55.2	0	0	0	0	111.1	T33 I34 Q40 L41 L95	T33-T37 WeakPolarHBondContact O-CB 3.29Å; T33-T37 PolarHBondContact O-N 3.33Å; T33-T37 PolarHBondContact O-OG1 2.79Å; I34-T37 PolarHBondContact O-N 2.91Å; T37-Q40 PolarHBondContact O-N 2.96Å; T37-L41 HydrophobicContact CG2-CD1 4.19Å; T37-L41 WeakPolarHBondContact O-CG 3.25Å; T37-L41 PolarHBondContact O-N 3.39Å; T37-L95 HydrophobicContact CG2-CD1 4.36Å
38	M	83.7	Confident	73.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-42.3	176.2	-72.3	-57	123.3	0	0	112.2	I34 A35 Q40 L41 I42 L67 L75 L95 L96	I34-M38 HydrophobicContact CG2-CG 4.33Å; I34-M38 WeakPolarHBondContact O-CB 3.33Å; I34-M38 WeakPolarHBondContact O-CG 3.36Å; I34-M38 PolarHBondContact O-N 3.46Å; A35-M38 PolarHBondContact O-N 3.14Å; M38-Q40 VanDerWaalsContact C-N 3.3Å; M38-Q40 PolarHBondContact O-N 2.84Å; M38-L41 HydrophobicContact CE-CD1 3.87Å; M38-L41 PolarHBondContact O-N 3.06Å; M38-L41 HydrophobicContact SD-CD1 4.32Å; M38-I42 WeakPolarHBondContact O-CB 3.45Å; M38-I42 VanDerWaalsContact O-CG1 3.23Å; M38-I42 WeakPolarHBondContact O-CG1 3.48Å; M38-I42 PolarHBondContact O-N 3.11Å; M38-L67 HydrophobicContact CB-CD1 3.91Å; M38-L67 HydrophobicContact CG-CD1 4.3Å; M38-L67 HydrophobicContact CG-CD2 4.32Å; M38-L75 HydrophobicContact SD-CD1 4.3Å; M38-L95 HydrophobicContact CE-CB 3.56Å; M38-L95 HydrophobicContact CE-CD1 3.66Å; M38-L95 HydrophobicContact CE-CG 4.27Å; M38-L96 HydrophobicContact CG-CD2 4.09Å; M38-L96 HydrophobicContact SD-CD1 4.35Å; M38-L96 HydrophobicContact SD-CD2 4.08Å; M38-L96 HydrophobicContact SD-CG 3.97Å
39	Q	80.9	Confident	74.9	Confident	36 Å²	36	48.9 Å²	48.9	17%	0.168	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-43.2	174	-78.7	177.9	-3.2	0	0	112.3	A35 S36 K43 F51 F53	A35-Q39 WeakPolarHBondContact O-CG 3.35Å; A35-Q39 PolarHBondContact O-N 3.39Å; S36-Q39 PolarHBondContact O-N 2.81Å; Q39-K43 WeakPolarHBondContact O-CB 3.44Å; Q39-K43 VanDerWaalsContact O-CG 3.3Å; Q39-K43 WeakPolarHBondContact O-CG 3.38Å; Q39-K43 PolarHBondContact O-N 2.72Å; Q39-F51 HydrophobicContact CG-CD1 3.75Å; Q39-F51 HydrophobicContact CG-CE1 3.76Å; Q39-F53 VanDerWaalsContact NE2-CA 3.35Å
40	Q	80.6	Confident	75.3	Confident	136 Å²	136	54.2 Å²	54.2	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-65.6	-44.3	179	-70.9	178.9	6	0	0	111.4	S36 T37 M38 K43 G44	S36-Q40 WeakPolarHBondContact O-CG 3.4Å; S36-Q40 PolarHBondContact O-N 2.66Å; S36-Q40 VanDerWaalsContact O-N 3.09Å; T37-Q40 PolarHBondContact O-N 2.96Å; M38-Q40 VanDerWaalsContact C-N 3.3Å; M38-Q40 PolarHBondContact O-N 2.84Å; Q40-K43 PolarHBondContact O-N 3.37Å; Q40-G44 PolarHBondContact O-N 3.28Å
41	L	80.9	Confident	75.3	Confident	31 Å²	31	51.5 Å²	51.5	16%	0.162	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-48.7	175.9	-72.5	169.7	0	0	0	111.5	T37 M38 K43 G44 I45 E88 L95	T37-L41 HydrophobicContact CG2-CD1 4.19Å; T37-L41 WeakPolarHBondContact O-CG 3.25Å; T37-L41 PolarHBondContact O-N 3.39Å; M38-L41 HydrophobicContact CE-CD1 3.87Å; M38-L41 PolarHBondContact O-N 3.06Å; M38-L41 HydrophobicContact SD-CD1 4.32Å; L41-K43 PolarHBondContact O-N 2.89Å; L41-G44 PolarHBondContact O-N 2.82Å; L41-G44 VanDerWaalsContact O-N 3.15Å; L41-I45 VanDerWaalsContact O-CG1 3.29Å; L41-I45 WeakPolarHBondContact O-CG1 3.36Å; L41-I45 PolarHBondContact O-N 3.49Å; L41-E88 HydrophobicContact CD2-CB 4.11Å; L41-L95 HydrophobicContact CD1-CD1 4.41Å
42	I	82.6	Confident	75	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-43.2	180	-68.4	167.3	0	0	0	111.1	M38 G44 I45 D46 C49 F51 A71 I74	M38-I42 WeakPolarHBondContact O-CB 3.45Å; M38-I42 VanDerWaalsContact O-CG1 3.23Å; M38-I42 WeakPolarHBondContact O-CG1 3.48Å; M38-I42 PolarHBondContact O-N 3.11Å; I42-G44 VanDerWaalsContact C-N 3.27Å; I42-G44 PolarHBondContact O-N 3.49Å; I42-I45 PolarHBondContact O-N 3.03Å; I42-D46 PolarHBondContact O-N 2.91Å; I42-C49 HydrophobicContact CG2-CB 4.05Å; I42-C49 WeakPolarHBondContact CG2-SG 3.18Å; I42-F51 HydrophobicContact CD1-CD1 4.21Å; I42-F51 HydrophobicContact CD1-CE1 4.39Å; I42-A71 HydrophobicContact CD1-CB 3.68Å; I42-I74 HydrophobicContact CG2-CD1 4.1Å; I42-I74 HydrophobicContact CG2-CG2 4.46Å
43	K	80.3	Confident	74.6	Confident	108 Å²	108	50.6 Å²	50.6	47%	0.47	31%	0.305	S	S	.	.	H	α-helix	trans	-64.5	-31.2	175.3	-76.8	179.5	179	179.6	0	113	Q39 Q40 L41 D46 S47	Q39-K43 WeakPolarHBondContact O-CB 3.44Å; Q39-K43 VanDerWaalsContact O-CG 3.3Å; Q39-K43 WeakPolarHBondContact O-CG 3.38Å; Q39-K43 PolarHBondContact O-N 2.72Å; Q40-K43 PolarHBondContact O-N 3.37Å; L41-K43 PolarHBondContact O-N 2.89Å; K43-D46 CarbonylContact O-C 3.5Å; K43-S47 WeakPolarHBondContact O-CA 3.45Å; K43-S47 PolarHBondContact O-N 2.8Å
44	G	77.5	Confident	73.7	Confident	68 Å²	68	57 Å²	57	70%	0.701	33%	0.333	S	S	*	.	H	α-helix	trans	-70.7	-34.5	173.9	0	0	0	0	0	112.7	Q40 L41 I42	Q40-G44 PolarHBondContact O-N 3.28Å; L41-G44 PolarHBondContact O-N 2.82Å; L41-G44 VanDerWaalsContact O-N 3.15Å; I42-G44 VanDerWaalsContact C-N 3.27Å; I42-G44 PolarHBondContact O-N 3.49Å
45	I	74.8	Confident	72.6	Confident	33 Å²	33	60.6 Å²	60.6	17%	0.169	36%	0.355	C	S	.	.	H	α-helix	trans	-77.4	-42.8	177.9	-68.8	168.6	0	0	0	111.5	L41 I42 I74 L75 C78 P85 A89	L41-I45 VanDerWaalsContact O-CG1 3.29Å; L41-I45 WeakPolarHBondContact O-CG1 3.36Å; L41-I45 PolarHBondContact O-N 3.49Å; I42-I45 PolarHBondContact O-N 3.03Å; I45-I74 HydrophobicContact CG2-CG2 4.4Å; I45-L75 HydrophobicContact CD1-CD2 3.56Å; I45-C78 HydrophobicContact CG2-CB 4.38Å; I45-C78 WeakPolarHBondContact CG2-SG 3.31Å; I45-P85 HydrophobicContact CB-CG 4.4Å; I45-P85 HydrophobicContact CG1-CB 4.24Å; I45-P85 HydrophobicContact CG1-CG 3.8Å; I45-P85 HydrophobicContact CG2-CG 4.45Å; I45-A89 HydrophobicContact CD1-CB 4.34Å
46	D	72.1	Confident	71.1	Confident	61 Å²	61	64.9 Å²	64.9	33%	0.326	39%	0.39	S	S	.	.			trans	-136.7	100.4	179.1	179.3	3.5	0	0	0	110.2	I42 K43 T48 C49	I42-D46 PolarHBondContact O-N 2.91Å; K43-D46 CarbonylContact O-C 3.5Å; D46-T48 PolarHBondContact O-N 3.24Å; D46-T48 WeakPolarHBondContact OD1-CA 3.44Å; D46-T48 WeakPolarHBondContact OD1-CB 3.49Å; D46-T48 PolarHBondContact OD1-N 3.19Å; D46-T48 PolarHBondContact OD1-OG1 2.94Å; D46-C49 HydrophobicContact CB-CB 3.99Å; D46-C49 WeakPolarHBondContact O-CB 3.46Å; D46-C49 PolarHBondContact O-N 2.87Å; D46-C49 VanDerWaalsContact O-N 3.09Å; D46-C49 PolarHBondContact OD1-N 3.34Å
47	S	71.2	Confident	69.8	Low	112 Å²	112	71.8 Å²	71.8	78%	0.783	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.7	178.9	60.3	0	0	0	0	113.7	K43 C49	K43-S47 WeakPolarHBondContact O-CA 3.45Å; K43-S47 PolarHBondContact O-N 2.8Å; S47-C49 VanDerWaalsContact C-N 3.34Å
48	T	69.9	Low	68.4	Low	111 Å²	111	76.9 Å²	76.9	68%	0.681	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.5	176.7	69.9	0	0	0	0	112.7	D46 T50	D46-T48 PolarHBondContact O-N 3.24Å; D46-T48 WeakPolarHBondContact OD1-CA 3.44Å; D46-T48 WeakPolarHBondContact OD1-CB 3.49Å; D46-T48 PolarHBondContact OD1-N 3.19Å; D46-T48 PolarHBondContact OD1-OG1 2.94Å; T48-T50 PolarHBondContact O-N 2.98Å
49	C	65.9	Low	67.1	Low	11 Å²	11	80.4 Å²	80.4	7%	0.074	46%	0.457	C	S	.	.			trans	-65.8	114	-179.6	-172.7	0	0	0	0	110.9	I42 D46 S47 F51 Y70	I42-C49 HydrophobicContact CG2-CB 4.05Å; I42-C49 WeakPolarHBondContact CG2-SG 3.18Å; D46-C49 HydrophobicContact CB-CB 3.99Å; D46-C49 WeakPolarHBondContact O-CB 3.46Å; D46-C49 PolarHBondContact O-N 2.87Å; D46-C49 VanDerWaalsContact O-N 3.09Å; D46-C49 PolarHBondContact OD1-N 3.34Å; S47-C49 VanDerWaalsContact C-N 3.34Å; C49-F51 PolarHBondContact O-N 3.4Å; C49-F51 VanDerWaalsContact SG-CB 3.57Å; C49-Y70 PolarHBondContact SG-OH 3.47Å
50	T	64.5	Low	66.1	Low	124 Å²	124	85.3 Å²	85.3	76%	0.761	48%	0.48	S	S	*	.			trans	-81.3	12.9	179.2	51.9	0	0	0	0	113.5	T48 S52	T48-T50 PolarHBondContact O-N 2.98Å; T50-S52 PolarHBondContact O-N 3Å
51	F	65.1	Low	65.1	Low	6 Å²	6	82.6 Å²	82.6	3%	0.026	47%	0.47	C	S	.	.			trans	-59	112.5	-179.4	-173.6	-109.9	0	0	0	111	Q39 I42 C49 F53 Y66 L67 Y70	Q39-F51 HydrophobicContact CG-CD1 3.75Å; Q39-F51 HydrophobicContact CG-CE1 3.76Å; I42-F51 HydrophobicContact CD1-CD1 4.21Å; I42-F51 HydrophobicContact CD1-CE1 4.39Å; C49-F51 PolarHBondContact O-N 3.4Å; C49-F51 VanDerWaalsContact SG-CB 3.57Å; F51-F53 HydrophobicContact CZ-CD2 4.04Å; F51-Y66 HydrophobicContact CD2-CE1 4.47Å; F51-Y66 HydrophobicContact CE2-CD1 4.29Å; F51-Y66 AromaticContact CE2-CE1 3.67Å; F51-Y66 HydrophobicContact CE2-CE1 3.67Å; F51-Y66 HydrophobicContact CZ-CE1 4.46Å; F51-L67 HydrophobicContact CE1-CD1 3.89Å; F51-L67 HydrophobicContact CZ-CD1 3.71Å; F51-Y70 HydrophobicContact CB-CD1 4.06Å; F51-Y70 HydrophobicContact CB-CE1 3.44Å; F51-Y70 VanDerWaalsContact CB-CE1 3.44Å; F51-Y70 HydrophobicContact CD1-CD1 4.37Å; F51-Y70 AromaticContact CD2-CD1 3.15Å; F51-Y70 HydrophobicContact CD2-CD1 3.15Å; F51-Y70 HydrophobicContact CD2-CD2 4.17Å; F51-Y70 AromaticContact CD2-CE1 3.41Å; F51-Y70 HydrophobicContact CD2-CE1 3.41Å; F51-Y70 VanDerWaalsContact CD2-CE1 3.41Å; F51-Y70 HydrophobicContact CD2-CE2 4.36Å; F51-Y70 AromaticContact CD2-CG 3.58Å; F51-Y70 HydrophobicContact CD2-CG 3.58Å; F51-Y70 AromaticContact CE2-CD1 3.58Å; F51-Y70 HydrophobicContact CE2-CD1 3.58Å; F51-Y70 HydrophobicContact CE2-CE1 4.29Å; F51-Y70 AromaticContact CE2-CG 3.72Å; F51-Y70 HydrophobicContact CE2-CG 3.72Å; F51-Y70 AromaticContact CG-CD1 3.62Å; F51-Y70 HydrophobicContact CG-CD1 3.62Å; F51-Y70 AromaticContact CG-CE1 3.55Å; F51-Y70 HydrophobicContact CG-CE1 3.55Å; F51-Y70 HydrophobicContact CG-CG 4.46Å; F51-Y70 HydrophobicContact CZ-CD1 4.35Å
52	S	64.9	Low	64.2	Low	77 Å²	77	84.3 Å²	84.3	54%	0.538	48%	0.482	S	S	.	.			trans	-128.9	140.1	170.8	63.2	0	0	0	0	108.2	T50	T50-S52 PolarHBondContact O-N 3Å
53	F	62.2	Low	63.5	Low	29 Å²	29	84.8 Å²	84.8	13%	0.127	49%	0.485	C	S	.	.			trans	-118.1	102.4	-176.3	-160.4	-88.4	0	0	0	105.7	F31 A35 Q39 F51 T55 S63 Y66 L67	F31-F53 AromaticContact CE1-CE1 3.61Å; F31-F53 HydrophobicContact CE1-CE1 3.61Å; F31-F53 HydrophobicContact CE1-CE2 4.43Å; F31-F53 AromaticContact CE1-CZ 3.37Å; F31-F53 HydrophobicContact CE1-CZ 3.37Å; F31-F53 HydrophobicContact CZ-CE1 4.19Å; F31-F53 HydrophobicContact CZ-CE2 4.22Å; F31-F53 AromaticContact CZ-CZ 3.54Å; F31-F53 HydrophobicContact CZ-CZ 3.54Å; A35-F53 HydrophobicContact CB-CD1 4.15Å; A35-F53 HydrophobicContact CB-CE1 4.29Å; A35-F53 HydrophobicContact CB-CG 4.36Å; Q39-F53 VanDerWaalsContact NE2-CA 3.35Å; F51-F53 HydrophobicContact CZ-CD2 4.04Å; F53-T55 HydrophobicContact CD1-CG2 4.04Å; F53-T55 HydrophobicContact CE1-CG2 4.09Å; F53-S63 WeakPolarHBondContact CE2-O 3.4Å; F53-S63 WeakPolarHBondContact CZ-O 3.36Å; F53-Y66 HydrophobicContact CD2-CD1 4.24Å; F53-Y66 HydrophobicContact CE2-CD1 4.1Å; F53-L67 HydrophobicContact CE2-CB 4.18Å
54	E	56.9	Low	63.3	Low	166 Å²	166	80.2 Å²	80.2	78%	0.776	47%	0.467	S	S	*	.			trans	-93.7	118.1	171.2	-69.8	-177	167.5	0	0	107.8	A56	E54-A56 PolarHBondContact O-N 3.48Å
55	T	52.4	Low	63.2	Low	78 Å²	78	77.8 Å²	77.8	48%	0.479	44%	0.44	S	S	.	.			trans	-73.8	-9.1	-176.2	42.2	0	0	0	0	113.6	E32 F53 E57	E32-T55 HydrophobicContact CG-CG2 4.16Å; F53-T55 HydrophobicContact CD1-CG2 4.04Å; F53-T55 HydrophobicContact CE1-CG2 4.09Å; T55-E57 PolarHBondContact O-N 3.12Å
56	A	47.8	Very low	63.5	Low	93 Å²	93	80 Å²	80	77%	0.769	45%	0.446	S	S	*	.	S	Bend	trans	-75.3	-16.7	-156.7	0	0	0	0	0	117.2	E54	E54-A56 PolarHBondContact O-N 3.48Å
57	E	50.5	Low	64.1	Low	194 Å²	194	77 Å²	77	91%	0.907	43%	0.431	S	S	*	.	S	Bend	trans	-134.3	-1.5	-170.7	-70.3	-169.3	165.9	0	0	117	T55	T55-E57 PolarHBondContact O-N 3.12Å
58	R	50.8	Low	64.8	Low	140 Å²	140	71.7 Å²	71.7	53%	0.528	39%	0.394	S	S	.	.	S	Bend	trans	-108.3	144	-175.7	-67.8	-176.6	-177.8	179.5	2.7	112
59	S	57.5	Low	65.6	Low	73 Å²	73	71.8 Å²	71.8	51%	0.51	39%	0.386	S	S	.	.			trans	-59.8	142.6	168.1	84.4	0	0	0	0	109.9	N61 T62 S63	S59-N61 PolarHBondContact O-N 3.4Å; S59-N61 VanDerWaalsContact O-N 3.13Å; S59-T62 PolarHBondContact O-N 2.92Å; S59-T62 PolarHBondContact OG-OG1 3.36Å; S59-S63 PolarHBondContact O-N 3.48Å
60	E	58.9	Low	66.5	Low	140 Å²	140	75 Å²	75	65%	0.654	40%	0.397	S	S	*	.	H	α-helix	trans	-49	-44	-175.3	-165.3	176.4	-176.8	0	0	111.8	T62 S63 C64	E60-T62 PolarHBondContact O-N 2.93Å; E60-S63 WeakPolarHBondContact O-CB 3.28Å; E60-S63 PolarHBondContact O-N 3.43Å; E60-S63 PolarHBondContact O-OG 3.08Å; E60-C64 PolarHBondContact O-N 3.23Å; E60-C64 PolarHBondContact O-SG 3.2Å
61	N	59.5	Low	67.6	Low	79 Å²	79	69 Å²	69	42%	0.422	36%	0.361	S	S	.	.	H	α-helix	trans	-61.5	-41.1	177.5	-75.5	-20.8	0	0	0	114.4	S59 S63 A65	S59-N61 PolarHBondContact O-N 3.4Å; S59-N61 VanDerWaalsContact O-N 3.13Å; N61-S63 VanDerWaalsContact C-N 3.29Å; N61-A65 PolarHBondContact O-N 3.02Å
62	T	61.9	Low	68.8	Low	67 Å²	67	68.8 Å²	68.8	41%	0.411	36%	0.36	S	S	.	.	H	α-helix	trans	-69.7	-34.3	178.1	-32.8	0	0	0	0	110.7	S59 E60 Y66	S59-T62 PolarHBondContact O-N 2.92Å; S59-T62 PolarHBondContact OG-OG1 3.36Å; E60-T62 PolarHBondContact O-N 2.93Å; T62-Y66 WeakPolarHBondContact O-CB 3.45Å; T62-Y66 PolarHBondContact O-N 2.9Å
63	S	69.3	Low	69.8	Low	11 Å²	11	68.1 Å²	68.1	8%	0.077	35%	0.354	C	S	.	.	H	α-helix	trans	-67.6	-41.3	178.2	88	0	0	0	0	111.1	F31 F53 S59 E60 N61 L67	F31-S63 WeakPolarHBondContact CE1-OG 3.46Å; F53-S63 WeakPolarHBondContact CE2-O 3.4Å; F53-S63 WeakPolarHBondContact CZ-O 3.36Å; S59-S63 PolarHBondContact O-N 3.48Å; E60-S63 WeakPolarHBondContact O-CB 3.28Å; E60-S63 PolarHBondContact O-N 3.43Å; E60-S63 PolarHBondContact O-OG 3.08Å; N61-S63 VanDerWaalsContact C-N 3.29Å; S63-L67 PolarHBondContact O-N 3.39Å
64	C	75.5	Confident	71	Confident	12 Å²	12	68.6 Å²	68.6	8%	0.081	36%	0.357	C	S	.	.	H	α-helix	trans	-61.3	-53.3	174.2	-66.6	0	0	0	0	112.5	F31 E60 Y66 L67 Y68	F31-C64 WeakPolarHBondContact CD2-SG 3.33Å; F31-C64 HydrophobicContact CE2-CB 3.94Å; F31-C64 WeakPolarHBondContact CE2-SG 3.21Å; F31-C64 VanDerWaalsContact CZ-CA 3.5Å; F31-C64 HydrophobicContact CZ-CB 4.24Å; E60-C64 PolarHBondContact O-N 3.23Å; E60-C64 PolarHBondContact O-SG 3.2Å; C64-Y66 VanDerWaalsContact C-N 3.27Å; C64-Y66 PolarHBondContact O-N 2.86Å; C64-L67 WeakPolarHBondContact O-CB 3.41Å; C64-L67 PolarHBondContact O-N 2.9Å; C64-L67 VanDerWaalsContact O-N 3.12Å; C64-Y68 VanDerWaalsContact O-CD2 3.28Å; C64-Y68 WeakPolarHBondContact O-CD2 3.39Å; C64-Y68 PolarHBondContact O-N 2.83Å
65	A	76.7	Confident	72.5	Confident	16 Å²	16	60.7 Å²	60.7	13%	0.132	32%	0.32	C	S	.	.	H	α-helix	trans	-58	-41.5	-177.4	0	0	0	0	0	112.2	N61 L67 Y68 E69 A109	N61-A65 PolarHBondContact O-N 3.02Å; A65-L67 PolarHBondContact O-N 2.87Å; A65-Y68 PolarHBondContact O-N 2.81Å; A65-E69 WeakPolarHBondContact O-CB 3.34Å; A65-E69 PolarHBondContact O-N 2.89Å; A65-A109 HydrophobicContact CB-CB 4.23Å
66	Y	80.4	Confident	74.2	Confident	79 Å²	79	57.2 Å²	57.2	31%	0.31	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-41.3	177.3	-179.4	-106.3	0	0	0	112.9	F51 F53 T62 C64 Y68 Y70	F51-Y66 HydrophobicContact CD2-CE1 4.47Å; F51-Y66 HydrophobicContact CE2-CD1 4.29Å; F51-Y66 AromaticContact CE2-CE1 3.67Å; F51-Y66 HydrophobicContact CE2-CE1 3.67Å; F51-Y66 HydrophobicContact CZ-CE1 4.46Å; F53-Y66 HydrophobicContact CD2-CD1 4.24Å; F53-Y66 HydrophobicContact CE2-CD1 4.1Å; T62-Y66 WeakPolarHBondContact O-CB 3.45Å; T62-Y66 PolarHBondContact O-N 2.9Å; C64-Y66 VanDerWaalsContact C-N 3.27Å; C64-Y66 PolarHBondContact O-N 2.86Å; Y66-Y68 PolarHBondContact O-N 2.8Å; Y66-Y70 WeakPolarHBondContact O-CB 3.46Å; Y66-Y70 PolarHBondContact O-N 3.23Å; Y66-Y70 VanDerWaalsContact O-N 3.15Å
67	L	83.9	Confident	76	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-46.8	175.3	178.1	65.5	0	0	0	111.1	F31 I34 A35 M38 F51 F53 S63 C64 A65 Y70 A71 L96	F31-L67 HydrophobicContact CE2-CB 4.45Å; F31-L67 HydrophobicContact CE2-CD2 3.72Å; F31-L67 HydrophobicContact CZ-CB 4.25Å; F31-L67 HydrophobicContact CZ-CD2 4.05Å; I34-L67 HydrophobicContact CG2-CD2 4.36Å; A35-L67 HydrophobicContact CB-CD2 4.24Å; M38-L67 HydrophobicContact CB-CD1 3.91Å; M38-L67 HydrophobicContact CG-CD1 4.3Å; M38-L67 HydrophobicContact CG-CD2 4.32Å; F51-L67 HydrophobicContact CE1-CD1 3.89Å; F51-L67 HydrophobicContact CZ-CD1 3.71Å; F53-L67 HydrophobicContact CE2-CB 4.18Å; S63-L67 PolarHBondContact O-N 3.39Å; C64-L67 WeakPolarHBondContact O-CB 3.41Å; C64-L67 PolarHBondContact O-N 2.9Å; C64-L67 VanDerWaalsContact O-N 3.12Å; A65-L67 PolarHBondContact O-N 2.87Å; L67-Y70 PolarHBondContact O-N 2.77Å; L67-A71 HydrophobicContact CD1-CB 4.37Å; L67-A71 WeakPolarHBondContact O-CB 3.45Å; L67-A71 PolarHBondContact O-N 2.76Å; L67-L96 HydrophobicContact CD2-CD2 4.33Å
68	Y	87.5	Confident	77.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.9	-42.7	-178.4	-81.3	-109.3	0	0	0	112.4	C64 A65 Y66 Y70 T72 L96 H99 C100 C110 F114	C64-Y68 VanDerWaalsContact O-CD2 3.28Å; C64-Y68 WeakPolarHBondContact O-CD2 3.39Å; C64-Y68 PolarHBondContact O-N 2.83Å; A65-Y68 PolarHBondContact O-N 2.81Å; Y66-Y68 PolarHBondContact O-N 2.8Å; Y68-Y70 VanDerWaalsContact C-N 3.26Å; Y68-Y70 PolarHBondContact O-N 2.73Å; Y68-T72 VanDerWaalsContact O-CB 3.26Å; Y68-T72 WeakPolarHBondContact O-CB 3.48Å; Y68-T72 PolarHBondContact O-N 3.13Å; Y68-T72 VanDerWaalsContact O-N 3.15Å; Y68-T72 PolarHBondContact O-OG1 2.97Å; Y68-L96 HydrophobicContact CD2-CD2 4.36Å; Y68-L96 HydrophobicContact CE1-CB 3.95Å; Y68-L96 HydrophobicContact CE1-CD2 4.28Å; Y68-L96 WeakPolarHBondContact CE1-O 3.49Å; Y68-L96 HydrophobicContact CE2-CD2 4.07Å; Y68-L96 PolarHBondContact OH-O 2.98Å; Y68-H99 AromaticContact CE2-ND1 3.72Å; Y68-H99 AromaticContact CZ-ND1 3.72Å; Y68-H99 PolarHBondContact OH-ND1 3.32Å; Y68-C100 HydrophobicContact CE1-CB 4.2Å; Y68-C100 PolarHBondContact OH-N 2.91Å; Y68-C110 HydrophobicContact CD1-CB 4.04Å; Y68-C110 VanDerWaalsContact CD1-O 3.24Å; Y68-C110 WeakPolarHBondContact CD1-O 3.38Å; Y68-C110 HydrophobicContact CD2-CB 4.11Å; Y68-C110 HydrophobicContact CE1-CB 3.96Å; Y68-C110 HydrophobicContact CE2-CB 4.02Å; Y68-C110 HydrophobicContact CG-CB 4.1Å; Y68-F114 HydrophobicContact CD1-CB 4.03Å; Y68-F114 HydrophobicContact CD1-CD2 4.39Å; Y68-F114 HydrophobicContact CE1-CB 4.35Å; Y68-F114 HydrophobicContact CE1-CD2 4.36Å
69	E	86	Confident	79.4	Confident	112 Å²	112	45.1 Å²	45.1	52%	0.523	23%	0.232	S	C	.	.	H	α-helix	trans	-57.3	-41.6	177.7	-174.8	-179.7	-171.2	0	0	111.5	A65 P73	A65-E69 WeakPolarHBondContact O-CB 3.34Å; A65-E69 PolarHBondContact O-N 2.89Å; E69-P73 WeakPolarHBondContact O-CD 3.09Å; E69-P73 WeakPolarHBondContact O-CG 3.39Å
70	Y	84.5	Confident	80.7	Confident	78 Å²	78	46.3 Å²	46.3	31%	0.306	23%	0.23	S	C	.	.	H	α-helix	trans	-84.9	-46.3	-177.6	-167	-88	0	0	0	113.5	C49 F51 Y66 L67 Y68 I74	C49-Y70 PolarHBondContact SG-OH 3.47Å; F51-Y70 HydrophobicContact CB-CD1 4.06Å; F51-Y70 HydrophobicContact CB-CE1 3.44Å; F51-Y70 VanDerWaalsContact CB-CE1 3.44Å; F51-Y70 HydrophobicContact CD1-CD1 4.37Å; F51-Y70 AromaticContact CD2-CD1 3.15Å; F51-Y70 HydrophobicContact CD2-CD1 3.15Å; F51-Y70 HydrophobicContact CD2-CD2 4.17Å; F51-Y70 AromaticContact CD2-CE1 3.41Å; F51-Y70 HydrophobicContact CD2-CE1 3.41Å; F51-Y70 VanDerWaalsContact CD2-CE1 3.41Å; F51-Y70 HydrophobicContact CD2-CE2 4.36Å; F51-Y70 AromaticContact CD2-CG 3.58Å; F51-Y70 HydrophobicContact CD2-CG 3.58Å; F51-Y70 AromaticContact CE2-CD1 3.58Å; F51-Y70 HydrophobicContact CE2-CD1 3.58Å; F51-Y70 HydrophobicContact CE2-CE1 4.29Å; F51-Y70 AromaticContact CE2-CG 3.72Å; F51-Y70 HydrophobicContact CE2-CG 3.72Å; F51-Y70 AromaticContact CG-CD1 3.62Å; F51-Y70 HydrophobicContact CG-CD1 3.62Å; F51-Y70 AromaticContact CG-CE1 3.55Å; F51-Y70 HydrophobicContact CG-CE1 3.55Å; F51-Y70 HydrophobicContact CG-CG 4.46Å; F51-Y70 HydrophobicContact CZ-CD1 4.35Å; Y66-Y70 WeakPolarHBondContact O-CB 3.46Å; Y66-Y70 PolarHBondContact O-N 3.23Å; Y66-Y70 VanDerWaalsContact O-N 3.15Å; L67-Y70 PolarHBondContact O-N 2.77Å; Y68-Y70 VanDerWaalsContact C-N 3.26Å; Y68-Y70 PolarHBondContact O-N 2.73Å; Y70-I74 HydrophobicContact CD1-CD1 3.79Å; Y70-I74 HydrophobicContact CE1-CD1 3.31Å
71	A	87.6	Confident	81.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72	-42.3	-172.9	0	0	0	0	0	112.5	I42 L67 I74 L75 L96	I42-A71 HydrophobicContact CD1-CB 3.68Å; L67-A71 HydrophobicContact CD1-CB 4.37Å; L67-A71 WeakPolarHBondContact O-CB 3.45Å; L67-A71 PolarHBondContact O-N 2.76Å; A71-I74 PolarHBondContact O-N 3.24Å; A71-L75 HydrophobicContact CB-CD1 4.39Å; A71-L75 VanDerWaalsContact O-CG 3.3Å; A71-L75 WeakPolarHBondContact O-CG 3.34Å; A71-L75 PolarHBondContact O-N 3.03Å; A71-L96 HydrophobicContact CB-CD1 4.12Å
72	T	89.7	Confident	82.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-50.2	-170.6	-46.9	0	0	0	0	112.3	Y68 I74 L75 T76 L93 F114 L118	Y68-T72 VanDerWaalsContact O-CB 3.26Å; Y68-T72 WeakPolarHBondContact O-CB 3.48Å; Y68-T72 PolarHBondContact O-N 3.13Å; Y68-T72 VanDerWaalsContact O-N 3.15Å; Y68-T72 PolarHBondContact O-OG1 2.97Å; T72-I74 VanDerWaalsContact C-N 3.31Å; T72-I74 PolarHBondContact O-N 3.32Å; T72-L75 PolarHBondContact O-N 3Å; T72-T76 WeakPolarHBondContact O-CB 3.34Å; T72-T76 PolarHBondContact O-N 3.25Å; T72-T76 PolarHBondContact O-OG1 3.46Å; T72-L93 HydrophobicContact CG2-CD2 4.06Å; T72-F114 HydrophobicContact CG2-CD2 4.13Å; T72-F114 WeakPolarHBondContact CG2-O 3.46Å; T72-L118 HydrophobicContact CG2-CG 4.44Å
73	P	87.6	Confident	82.5	Confident	64 Å²	64	49.8 Å²	49.8	42%	0.416	24%	0.244	S	C	.	.	H	α-helix	trans	-61.8	-36	-178.8	-23.4	35.2	0	0	0	113.8	E69 K77	E69-P73 WeakPolarHBondContact O-CD 3.09Å; E69-P73 WeakPolarHBondContact O-CG 3.39Å; P73-K77 PolarHBondContact O-N 2.94Å
74	I	85.8	Confident	82.4	Confident	38 Å²	38	52.5 Å²	52.5	20%	0.195	27%	0.274	C	S	.	.	H	α-helix	trans	-65.3	-49.6	177.7	-62.7	174.1	0	0	0	109.7	I42 I45 Y70 A71 T72 T76 K77 C78	I42-I74 HydrophobicContact CG2-CD1 4.1Å; I42-I74 HydrophobicContact CG2-CG2 4.46Å; I45-I74 HydrophobicContact CG2-CG2 4.4Å; Y70-I74 HydrophobicContact CD1-CD1 3.79Å; Y70-I74 HydrophobicContact CE1-CD1 3.31Å; A71-I74 PolarHBondContact O-N 3.24Å; T72-I74 VanDerWaalsContact C-N 3.31Å; T72-I74 PolarHBondContact O-N 3.32Å; I74-T76 PolarHBondContact O-N 3.02Å; I74-K77 PolarHBondContact O-N 2.88Å; I74-C78 PolarHBondContact O-N 3.24Å
75	L	88.8	Confident	82.4	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-41	179.1	-63.5	171.2	0	0	0	111.5	M38 I45 A71 T72 K77 C78 Y79 A89 L93 L96	M38-L75 HydrophobicContact SD-CD1 4.3Å; I45-L75 HydrophobicContact CD1-CD2 3.56Å; A71-L75 HydrophobicContact CB-CD1 4.39Å; A71-L75 VanDerWaalsContact O-CG 3.3Å; A71-L75 WeakPolarHBondContact O-CG 3.34Å; A71-L75 PolarHBondContact O-N 3.03Å; T72-L75 PolarHBondContact O-N 3Å; L75-K77 PolarHBondContact O-N 3.43Å; L75-C78 PolarHBondContact O-N 3.21Å; L75-Y79 WeakPolarHBondContact O-CB 3.45Å; L75-Y79 PolarHBondContact O-N 2.85Å; L75-A89 HydrophobicContact CD2-CB 4.47Å; L75-L93 HydrophobicContact CB-CD1 4.41Å; L75-L93 HydrophobicContact CB-CD2 3.84Å; L75-L93 HydrophobicContact CB-CG 3.84Å; L75-L93 HydrophobicContact CD1-CD2 4.33Å; L75-L93 HydrophobicContact CD1-CG 4.41Å; L75-L96 HydrophobicContact CD1-CD1 3.84Å
76	T	88.8	Confident	82.7	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-45.5	176.5	-59.1	0	0	0	0	111.5	T72 I74 C78 Y79 E80 G117 L118	T72-T76 WeakPolarHBondContact O-CB 3.34Å; T72-T76 PolarHBondContact O-N 3.25Å; T72-T76 PolarHBondContact O-OG1 3.46Å; I74-T76 PolarHBondContact O-N 3.02Å; T76-C78 VanDerWaalsContact C-N 3.26Å; T76-C78 PolarHBondContact O-N 3.18Å; T76-Y79 CarbonylContact O-C 3.6Å; T76-Y79 WeakPolarHBondContact O-CB 3.48Å; T76-Y79 PolarHBondContact O-N 2.74Å; T76-Y79 VanDerWaalsContact O-N 3.12Å; T76-E80 HydrophobicContact CG2-CG 4.03Å; T76-E80 WeakPolarHBondContact O-CB 3.43Å; T76-E80 WeakPolarHBondContact O-CG 3.34Å; T76-E80 PolarHBondContact O-N 3.03Å; T76-G117 VanDerWaalsContact CB-O 3.24Å; T76-G117 WeakPolarHBondContact CB-O 3.4Å; T76-G117 WeakPolarHBondContact CG2-O 3.49Å; T76-G117 PolarHBondContact OG1-O 2.94Å; T76-L118 HydrophobicContact CG2-CD2 4.26Å
77	K	85.1	Confident	82.7	Confident	144 Å²	144	59.2 Å²	59.2	63%	0.626	31%	0.307	S	S	*	.	H	α-helix	trans	-59.7	-39.3	-179.4	-172.6	178.8	179.5	-176.6	0	111.9	P73 I74 L75 N81	P73-K77 PolarHBondContact O-N 2.94Å; I74-K77 PolarHBondContact O-N 2.88Å; L75-K77 PolarHBondContact O-N 3.43Å; K77-N81 VanDerWaalsContact O-CG 3.28Å; K77-N81 PolarHBondContact O-N 3.11Å; K77-N81 PolarHBondContact O-ND2 3.33Å
78	C	85.3	Confident	82.7	Confident	24 Å²	24	63.3 Å²	63.3	16%	0.162	33%	0.326	C	S	.	.	H	α-helix	trans	-71.8	-39.9	174.9	-70.2	0	0	0	0	112.5	I45 I74 L75 T76 A89	I45-C78 HydrophobicContact CG2-CB 4.38Å; I45-C78 WeakPolarHBondContact CG2-SG 3.31Å; I74-C78 PolarHBondContact O-N 3.24Å; L75-C78 PolarHBondContact O-N 3.21Å; T76-C78 VanDerWaalsContact C-N 3.26Å; T76-C78 PolarHBondContact O-N 3.18Å; C78-A89 HydrophobicContact CB-CB 3.81Å
79	Y	87.2	Confident	82.6	Confident	6 Å²	6	63.3 Å²	63.3	2%	0.024	33%	0.326	C	S	.	.	H	α-helix	trans	-59.9	-43.6	174.2	172.8	-94	0	0	0	112.1	L75 T76 K82 F86 N90 L93 F125 E128	L75-Y79 WeakPolarHBondContact O-CB 3.45Å; L75-Y79 PolarHBondContact O-N 2.85Å; T76-Y79 CarbonylContact O-C 3.6Å; T76-Y79 WeakPolarHBondContact O-CB 3.48Å; T76-Y79 PolarHBondContact O-N 2.74Å; T76-Y79 VanDerWaalsContact O-N 3.12Å; Y79-K82 PolarHBondContact O-N 2.93Å; Y79-F86 HydrophobicContact CD2-CD2 4.25Å; Y79-F86 AromaticContact CD2-CE2 3.46Å; Y79-F86 HydrophobicContact CD2-CE2 3.46Å; Y79-F86 VanDerWaalsContact CD2-CE2 3.46Å; Y79-F86 AromaticContact CD2-CZ 4Å; Y79-F86 HydrophobicContact CD2-CZ 4Å; Y79-F86 AromaticContact CE2-CE2 3.72Å; Y79-F86 HydrophobicContact CE2-CE2 3.72Å; Y79-F86 AromaticContact CE2-CZ 3.88Å; Y79-F86 HydrophobicContact CE2-CZ 3.88Å; Y79-F86 HydrophobicContact CG-CE2 4.15Å; Y79-F86 WeakPolarHBondContact O-CD2 3.36Å; Y79-F86 VanDerWaalsContact O-CE2 3.28Å; Y79-F86 WeakPolarHBondContact O-CE2 3.47Å; Y79-N90 HydrophobicContact CD2-CB 4.27Å; Y79-L93 HydrophobicContact CD2-CD1 4.26Å; Y79-L93 HydrophobicContact CG-CD1 4.03Å; Y79-F125 HydrophobicContact CE1-CB 4.21Å; Y79-F125 HydrophobicContact CE2-CD2 4.03Å; Y79-F125 WeakPolarHBondContact OH-CA 3.4Å; Y79-F125 PolarHBondContact OH-N 2.93Å; Y79-E128 PolarHBondContact OH-OE2 3.16Å; Y79-E128 VanDerWaalsContact OH-OE2 3.13Å
80	E	85.8	Confident	82.7	Confident	97 Å²	97	59 Å²	59	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-68.7	-36.2	-178.4	-74.8	-178.6	165.6	0	0	113.5	T76 K82 S121	T76-E80 HydrophobicContact CG2-CG 4.03Å; T76-E80 WeakPolarHBondContact O-CB 3.43Å; T76-E80 WeakPolarHBondContact O-CG 3.34Å; T76-E80 PolarHBondContact O-N 3.03Å; E80-K82 PolarHBondContact O-N 2.7Å; E80-S121 WeakPolarHBondContact CG-OG 3.43Å; E80-S121 WeakPolarHBondContact OE1-CB 3.42Å; E80-S121 PolarHBondContact OE1-OG 3.17Å
81	N	80.9	Confident	82.8	Confident	99 Å²	99	59.1 Å²	59.1	53%	0.529	31%	0.31	S	S	.	.	H	α-helix	trans	-68.3	-19.7	-179.6	-72.7	-20.8	0	0	0	113.1	K77 D83	K77-N81 VanDerWaalsContact O-CG 3.28Å; K77-N81 PolarHBondContact O-N 3.11Å; K77-N81 PolarHBondContact O-ND2 3.33Å; N81-D83 PolarHBondContact O-N 2.68Å
82	K	75.5	Confident	82.8	Confident	130 Å²	130	59.1 Å²	59.1	57%	0.565	31%	0.31	S	S	*	.			trans	50.2	18.5	-174.2	-63.3	-164.8	173.2	-159.8	0	115.1	Y79 E80 F86 E128	Y79-K82 PolarHBondContact O-N 2.93Å; E80-K82 PolarHBondContact O-N 2.7Å; K82-F86 HydrophobicContact CG-CD2 4.36Å; K82-F86 HydrophobicContact CG-CE2 4.19Å; K82-E128 IonicContact NZ-OE1 3.06Å
83	D	60.9	Low	82.8	Confident	131 Å²	131	59.1 Å²	59.1	70%	0.701	31%	0.31	S	S	*	.	S	Bend	trans	-129.2	141.7	-178	-82.3	-28.8	0	0	0	109.6	N81	N81-D83 PolarHBondContact O-N 2.68Å
84	G	67.6	Low	83	Confident	68 Å²	68	57.2 Å²	57.2	70%	0.701	30%	0.296	S	S	*	.	S	Bend	trans	84.5	-139.8	-178	0	0	0	0	0	113	F86	G84-F86 PolarHBondContact O-N 2.97Å
85	P	75.7	Confident	83	Confident	43 Å²	43	55.8 Å²	55.8	28%	0.279	29%	0.289	S	S	.	.	S	Bend	trans	-76.4	53.1	-177.1	34	-36.7	0	0	0	112.5	I45 E88 A89	I45-P85 HydrophobicContact CB-CG 4.4Å; I45-P85 HydrophobicContact CG1-CB 4.24Å; I45-P85 HydrophobicContact CG1-CG 3.8Å; I45-P85 HydrophobicContact CG2-CG 4.45Å; P85-E88 WeakPolarHBondContact CA-OE2 3.39Å; P85-E88 HydrophobicContact CB-CB 4.21Å; P85-E88 HydrophobicContact CB-CG 4.42Å; P85-E88 WeakPolarHBondContact CB-OE2 3.42Å; P85-A89 WeakPolarHBondContact O-CB 3.5Å; P85-A89 PolarHBondContact O-N 3.12Å
86	F	81.4	Confident	83	Confident	49 Å²	49	55.8 Å²	55.8	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-42.4	-178.8	169.2	-94.8	0	0	0	111.8	Y79 K82 G84 A89 N90	Y79-F86 HydrophobicContact CD2-CD2 4.25Å; Y79-F86 AromaticContact CD2-CE2 3.46Å; Y79-F86 HydrophobicContact CD2-CE2 3.46Å; Y79-F86 VanDerWaalsContact CD2-CE2 3.46Å; Y79-F86 AromaticContact CD2-CZ 4Å; Y79-F86 HydrophobicContact CD2-CZ 4Å; Y79-F86 AromaticContact CE2-CE2 3.72Å; Y79-F86 HydrophobicContact CE2-CE2 3.72Å; Y79-F86 AromaticContact CE2-CZ 3.88Å; Y79-F86 HydrophobicContact CE2-CZ 3.88Å; Y79-F86 HydrophobicContact CG-CE2 4.15Å; Y79-F86 WeakPolarHBondContact O-CD2 3.36Å; Y79-F86 VanDerWaalsContact O-CE2 3.28Å; Y79-F86 WeakPolarHBondContact O-CE2 3.47Å; K82-F86 HydrophobicContact CG-CD2 4.36Å; K82-F86 HydrophobicContact CG-CE2 4.19Å; G84-F86 PolarHBondContact O-N 2.97Å; F86-A89 PolarHBondContact O-N 3.22Å; F86-N90 WeakPolarHBondContact O-CB 3.28Å; F86-N90 PolarHBondContact O-N 3.44Å
87	E	81.9	Confident	83	Confident	156 Å²	156	55.6 Å²	55.6	73%	0.729	29%	0.288	S	S	*	.	H	α-helix	trans	-64.8	-42.2	-179.8	-69.2	-171.2	171.7	0	0	111.1	N90 Q91	E87-N90 PolarHBondContact O-N 3.08Å; E87-Q91 VanDerWaalsContact O-CB 3.31Å; E87-Q91 WeakPolarHBondContact O-CB 3.44Å; E87-Q91 PolarHBondContact O-N 2.94Å
88	E	82.7	Confident	83.1	Confident	85 Å²	85	49 Å²	49	40%	0.397	26%	0.259	S	S	.	.	H	α-helix	trans	-64.8	-40.1	175.8	-63.7	85.6	167.1	0	0	111.5	L41 P85 Q91 G92	L41-E88 HydrophobicContact CD2-CB 4.11Å; P85-E88 WeakPolarHBondContact CA-OE2 3.39Å; P85-E88 HydrophobicContact CB-CB 4.21Å; P85-E88 HydrophobicContact CB-CG 4.42Å; P85-E88 WeakPolarHBondContact CB-OE2 3.42Å; E88-Q91 PolarHBondContact O-N 2.76Å; E88-G92 PolarHBondContact O-N 2.81Å
89	A	86.3	Confident	83	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-45.6	175.7	0	0	0	0	0	111.9	I45 L75 C78 P85 F86 G92 L93	I45-A89 HydrophobicContact CD1-CB 4.34Å; L75-A89 HydrophobicContact CD2-CB 4.47Å; C78-A89 HydrophobicContact CB-CB 3.81Å; P85-A89 WeakPolarHBondContact O-CB 3.5Å; P85-A89 PolarHBondContact O-N 3.12Å; F86-A89 PolarHBondContact O-N 3.22Å; A89-G92 PolarHBondContact O-N 3.27Å; A89-L93 WeakPolarHBondContact O-CG 3.09Å; A89-L93 PolarHBondContact O-N 2.99Å
90	N	88	Confident	82.8	Confident	23 Å²	23	48.2 Å²	48.2	12%	0.123	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-42	176	-174.2	59.8	0	0	0	111.5	Y79 F86 E87 G92 L93 M94 F125 N129	Y79-N90 HydrophobicContact CD2-CB 4.27Å; F86-N90 WeakPolarHBondContact O-CB 3.28Å; F86-N90 PolarHBondContact O-N 3.44Å; E87-N90 PolarHBondContact O-N 3.08Å; N90-G92 VanDerWaalsContact C-N 3.32Å; N90-G92 PolarHBondContact O-N 3.04Å; N90-L93 PolarHBondContact O-N 3.46Å; N90-M94 WeakPolarHBondContact O-CB 3.27Å; N90-M94 WeakPolarHBondContact O-CG 3.47Å; N90-M94 PolarHBondContact O-N 2.87Å; N90-F125 WeakPolarHBondContact OD1-CE2 3.38Å; N90-N129 PolarHBondContact ND2-OD1 3Å; N90-N129 PolarHBondContact OD1-ND2 3.44Å
91	Q	85.5	Confident	82.7	Confident	80 Å²	80	43.7 Å²	43.7	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-61.8	-41.2	174.7	-173.2	177.7	0.5	0	0	111.5	P18 E87 E88 M94 L95	P18-Q91 HydrophobicContact CG-CG 4.3Å; E87-Q91 VanDerWaalsContact O-CB 3.31Å; E87-Q91 WeakPolarHBondContact O-CB 3.44Å; E87-Q91 PolarHBondContact O-N 2.94Å; E88-Q91 PolarHBondContact O-N 2.76Å; Q91-M94 PolarHBondContact O-N 3.32Å; Q91-L95 HydrophobicContact CG-CD1 4.28Å; Q91-L95 WeakPolarHBondContact O-CG 3.27Å; Q91-L95 PolarHBondContact O-N 3.11Å
92	G	87.7	Confident	82.5	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-48.8	174.7	0	0	0	0	0	112.5	E88 A89 N90 M94 L95 L96	E88-G92 PolarHBondContact O-N 2.81Å; A89-G92 PolarHBondContact O-N 3.27Å; N90-G92 VanDerWaalsContact C-N 3.32Å; N90-G92 PolarHBondContact O-N 3.04Å; G92-M94 PolarHBondContact O-N 3.39Å; G92-L95 PolarHBondContact O-N 3.04Å; G92-L96 WeakPolarHBondContact O-CG 3.32Å; G92-L96 PolarHBondContact O-N 2.98Å
93	L	91.3	Very high	82.3	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-40.6	176.7	-71	167.6	0	0	0	112.2	T72 L75 Y79 A89 N90 L96 L97 F114 L118 F125	T72-L93 HydrophobicContact CG2-CD2 4.06Å; L75-L93 HydrophobicContact CB-CD1 4.41Å; L75-L93 HydrophobicContact CB-CD2 3.84Å; L75-L93 HydrophobicContact CB-CG 3.84Å; L75-L93 HydrophobicContact CD1-CD2 4.33Å; L75-L93 HydrophobicContact CD1-CG 4.41Å; Y79-L93 HydrophobicContact CD2-CD1 4.26Å; Y79-L93 HydrophobicContact CG-CD1 4.03Å; A89-L93 WeakPolarHBondContact O-CG 3.09Å; A89-L93 PolarHBondContact O-N 2.99Å; N90-L93 PolarHBondContact O-N 3.46Å; L93-L96 PolarHBondContact O-N 2.94Å; L93-L97 WeakPolarHBondContact O-CB 3.38Å; L93-L97 PolarHBondContact O-N 3.23Å; L93-F114 HydrophobicContact CB-CE2 4.45Å; L93-F114 HydrophobicContact CD2-CE2 4.01Å; L93-F114 WeakPolarHBondContact O-CE2 3.23Å; L93-L118 HydrophobicContact CD1-CD2 4.05Å; L93-L118 HydrophobicContact CD2-CD2 4.25Å; L93-F125 HydrophobicContact CB-CD2 4.33Å; L93-F125 HydrophobicContact CB-CE2 3.48Å; L93-F125 VanDerWaalsContact CB-CE2 3.48Å; L93-F125 HydrophobicContact CB-CZ 3.69Å; L93-F125 HydrophobicContact CD1-CD2 4.17Å; L93-F125 HydrophobicContact CD1-CE2 4.1Å; L93-F125 HydrophobicContact CG-CE2 4.43Å
94	M	90.5	Very high	82.6	Confident	23 Å²	23	32 Å²	32	11%	0.113	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-40.4	175.5	-79.2	-157.3	-69.4	0	0	112.6	P18 F19 N90 Q91 G92 L97 E98 F125 N129	P18-M94 HydrophobicContact CB-CB 3.85Å; P18-M94 HydrophobicContact CG-CB 3.56Å; P18-M94 HydrophobicContact CG-CE 3.73Å; P18-M94 HydrophobicContact CG-SD 4.25Å; F19-M94 HydrophobicContact CD2-CB 4.49Å; F19-M94 HydrophobicContact CD2-SD 4.27Å; F19-M94 HydrophobicContact CE2-CB 4.07Å; F19-M94 HydrophobicContact CE2-CG 4.31Å; F19-M94 HydrophobicContact CE2-SD 4.4Å; N90-M94 WeakPolarHBondContact O-CB 3.27Å; N90-M94 WeakPolarHBondContact O-CG 3.47Å; N90-M94 PolarHBondContact O-N 2.87Å; Q91-M94 PolarHBondContact O-N 3.32Å; G92-M94 PolarHBondContact O-N 3.39Å; M94-L97 PolarHBondContact O-N 3.28Å; M94-E98 PolarHBondContact O-N 3.46Å; M94-F125 HydrophobicContact CG-CE2 4.37Å; M94-F125 HydrophobicContact CG-CZ 4.14Å; M94-N129 HydrophobicContact CG-CB 4.38Å; M94-N129 HydrophobicContact SD-CB 4.18Å; M94-N129 PolarHBondContact SD-OD1 3.45Å
95	L	87.1	Confident	82.3	Confident	9 Å²	9	29.8 Å²	29.8	5%	0.047	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-44.3	175.8	-77	165.4	0	0	0	111.6	L15 P18 T37 M38 L41 Q91 G92 L97 E98 H99	L15-L95 HydrophobicContact CD2-CD2 3.72Å; P18-L95 HydrophobicContact CB-CD2 3.89Å; P18-L95 HydrophobicContact CB-CG 4.01Å; P18-L95 HydrophobicContact CG-CD2 4.39Å; P18-L95 HydrophobicContact CG-CG 4.17Å; T37-L95 HydrophobicContact CG2-CD1 4.36Å; M38-L95 HydrophobicContact CE-CB 3.56Å; M38-L95 HydrophobicContact CE-CD1 3.66Å; M38-L95 HydrophobicContact CE-CG 4.27Å; L41-L95 HydrophobicContact CD1-CD1 4.41Å; Q91-L95 HydrophobicContact CG-CD1 4.28Å; Q91-L95 WeakPolarHBondContact O-CG 3.27Å; Q91-L95 PolarHBondContact O-N 3.11Å; G92-L95 PolarHBondContact O-N 3.04Å; L95-L97 VanDerWaalsContact C-N 3.29Å; L95-L97 PolarHBondContact O-N 3.48Å; L95-E98 PolarHBondContact O-N 2.89Å; L95-H99 WeakPolarHBondContact O-CB 3.24Å; L95-H99 PolarHBondContact O-N 3.35Å
96	L	88	Confident	81.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-38.6	174	-70	177.7	0	0	0	111.5	M38 L67 Y68 A71 L75 G92 L93 C100 F114	M38-L96 HydrophobicContact CG-CD2 4.09Å; M38-L96 HydrophobicContact SD-CD1 4.35Å; M38-L96 HydrophobicContact SD-CD2 4.08Å; M38-L96 HydrophobicContact SD-CG 3.97Å; L67-L96 HydrophobicContact CD2-CD2 4.33Å; Y68-L96 HydrophobicContact CD2-CD2 4.36Å; Y68-L96 HydrophobicContact CE1-CB 3.95Å; Y68-L96 HydrophobicContact CE1-CD2 4.28Å; Y68-L96 WeakPolarHBondContact CE1-O 3.49Å; Y68-L96 HydrophobicContact CE2-CD2 4.07Å; Y68-L96 PolarHBondContact OH-O 2.98Å; A71-L96 HydrophobicContact CB-CD1 4.12Å; L75-L96 HydrophobicContact CD1-CD1 3.84Å; G92-L96 WeakPolarHBondContact O-CG 3.32Å; G92-L96 PolarHBondContact O-N 2.98Å; L93-L96 PolarHBondContact O-N 2.94Å; L96-C100 WeakPolarHBondContact O-CB 3.45Å; L96-C100 PolarHBondContact O-N 3.3Å; L96-F114 HydrophobicContact CB-CD2 4.12Å; L96-F114 HydrophobicContact CB-CE2 3.99Å
97	L	89.7	Confident	80.7	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-50.5	176.3	-176.9	60.4	0	0	0	111.6	F19 L93 M94 L95 H99 C100 L101 F114 F125 L126 I133 L148	F19-L97 HydrophobicContact CZ-CB 4.3Å; F19-L97 HydrophobicContact CZ-CD2 4.11Å; F19-L97 HydrophobicContact CZ-CG 4.09Å; L93-L97 WeakPolarHBondContact O-CB 3.38Å; L93-L97 PolarHBondContact O-N 3.23Å; M94-L97 PolarHBondContact O-N 3.28Å; L95-L97 VanDerWaalsContact C-N 3.29Å; L95-L97 PolarHBondContact O-N 3.48Å; L97-H99 VanDerWaalsContact C-N 3.31Å; L97-H99 PolarHBondContact O-N 3.3Å; L97-C100 WeakPolarHBondContact O-CB 3.48Å; L97-C100 PolarHBondContact O-N 2.68Å; L97-L101 HydrophobicContact CD1-CD1 4.23Å; L97-L101 HydrophobicContact CD1-CD2 4.44Å; L97-L101 HydrophobicContact CD1-CG 4.18Å; L97-L101 HydrophobicContact CG-CD1 4.07Å; L97-L101 HydrophobicContact CG-CG 4.38Å; L97-L101 WeakPolarHBondContact O-CG 3.36Å; L97-L101 PolarHBondContact O-N 2.76Å; L97-F114 HydrophobicContact CB-CE1 4.29Å; L97-F114 HydrophobicContact CB-CE2 4.38Å; L97-F114 HydrophobicContact CB-CZ 3.86Å; L97-F114 HydrophobicContact CD1-CD1 4.38Å; L97-F114 HydrophobicContact CD1-CE1 3.9Å; L97-F114 HydrophobicContact CD1-CZ 4.34Å; L97-F125 HydrophobicContact CD2-CE1 4.02Å; L97-L126 HydrophobicContact CD2-CD2 4.15Å; L97-I133 HydrophobicContact CD2-CD1 3.88Å; L97-L148 HydrophobicContact CD1-CD1 4.09Å
98	E	85.5	Confident	80.4	Confident	4 Å²	4	23.8 Å²	23.8	2%	0.019	12%	0.123	C	C	.	.	H	α-helix	trans	-56.6	-45.5	179.4	-176.6	174.5	-145	0	0	111.5	P18 F19 H29 M94 L95 C100 L101 A102 Y144	P18-E98 WeakPolarHBondContact CA-OE2 3.29Å; F19-E98 WeakPolarHBondContact CA-OE1 3.31Å; F19-E98 HydrophobicContact CD1-CB 4.28Å; F19-E98 HydrophobicContact CD1-CG 4.23Å; F19-E98 HydrophobicContact CE1-CB 3.87Å; F19-E98 HydrophobicContact CE1-CG 4.17Å; F19-E98 HydrophobicContact CE2-CB 4.18Å; F19-E98 HydrophobicContact CZ-CB 3.81Å; F19-E98 PolarHBondContact N-OE1 2.89Å; F19-E98 PolarHBondContact N-OE2 3.49Å; H29-E98 IonicContact CE1-OE2 2.83Å; M94-E98 PolarHBondContact O-N 3.46Å; L95-E98 PolarHBondContact O-N 2.89Å; E98-C100 VanDerWaalsContact C-N 3.34Å; E98-C100 PolarHBondContact O-N 3.37Å; E98-L101 PolarHBondContact O-N 3.16Å; E98-A102 WeakPolarHBondContact O-CB 3.42Å; E98-A102 PolarHBondContact O-N 3.46Å; E98-Y144 HydrophobicContact CG-CE2 4.4Å
99	H	83.7	Confident	80.3	Confident	11 Å²	11	21 Å²	21	5%	0.051	12%	0.115	C	C	.	.	H	α-helix	trans	-58.3	-44.8	174.4	175.4	-98.7	0	0	0	112.1	F31 I34 Y68 L95 L97 L101 A102 F103	F31-H99 AromaticContact CD2-CE1 3.96Å; F31-H99 AromaticContact CD2-NE2 3.84Å; I34-H99 HydrophobicContact CD1-CB 3.9Å; I34-H99 WeakPolarHBondContact CD1-CD2 3.32Å; Y68-H99 AromaticContact CE2-ND1 3.72Å; Y68-H99 AromaticContact CZ-ND1 3.72Å; Y68-H99 PolarHBondContact OH-ND1 3.32Å; L95-H99 WeakPolarHBondContact O-CB 3.24Å; L95-H99 PolarHBondContact O-N 3.35Å; L97-H99 VanDerWaalsContact C-N 3.31Å; L97-H99 PolarHBondContact O-N 3.3Å; H99-L101 VanDerWaalsContact C-N 3.28Å; H99-L101 PolarHBondContact O-N 2.89Å; H99-A102 PolarHBondContact O-N 2.88Å; H99-F103 AromaticContact CD2-CD2 3.53Å; H99-F103 AromaticContact CD2-CE2 3.71Å; H99-F103 AromaticContact NE2-CD2 3.62Å; H99-F103 AromaticContact NE2-CE2 3.98Å; H99-F103 WeakPolarHBondContact O-CD2 3.42Å; H99-F103 PolarHBondContact O-N 3.21Å; H99-F103 VanDerWaalsContact O-N 3.08Å
100	C	82.8	Confident	80.2	Confident	4 Å²	4	21.6 Å²	21.6	3%	0.027	12%	0.118	C	C	.	.	H	α-helix	trans	-62.5	-34.9	178.6	-170.7	0	0	0	0	112.5	Y68 L96 L97 E98 H104	Y68-C100 HydrophobicContact CE1-CB 4.2Å; Y68-C100 PolarHBondContact OH-N 2.91Å; L96-C100 WeakPolarHBondContact O-CB 3.45Å; L96-C100 PolarHBondContact O-N 3.3Å; L97-C100 WeakPolarHBondContact O-CB 3.48Å; L97-C100 PolarHBondContact O-N 2.68Å; E98-C100 VanDerWaalsContact C-N 3.34Å; E98-C100 PolarHBondContact O-N 3.37Å; C100-H104 WeakPolarHBondContact O-CA 3.5Å; C100-H104 PolarHBondContact O-N 2.85Å
101	L	83.7	Confident	80.2	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-78.8	-35.5	178.8	-60.1	179.4	0	0	0	112	F19 L97 E98 H99 H104 Y144 V147 L148	F19-L101 HydrophobicContact CE1-CD1 4.23Å; L97-L101 HydrophobicContact CD1-CD1 4.23Å; L97-L101 HydrophobicContact CD1-CD2 4.44Å; L97-L101 HydrophobicContact CD1-CG 4.18Å; L97-L101 HydrophobicContact CG-CD1 4.07Å; L97-L101 HydrophobicContact CG-CG 4.38Å; L97-L101 WeakPolarHBondContact O-CG 3.36Å; L97-L101 PolarHBondContact O-N 2.76Å; E98-L101 PolarHBondContact O-N 3.16Å; H99-L101 VanDerWaalsContact C-N 3.28Å; H99-L101 PolarHBondContact O-N 2.89Å; L101-H104 PolarHBondContact O-ND1 3.34Å; L101-Y144 HydrophobicContact CB-CD1 3.72Å; L101-Y144 HydrophobicContact CB-CE1 4.06Å; L101-Y144 HydrophobicContact CB-CG 4.25Å; L101-Y144 HydrophobicContact CD1-CD1 4.45Å; L101-Y144 HydrophobicContact CD1-CG 4.15Å; L101-V147 HydrophobicContact CB-CG1 4.3Å; L101-V147 HydrophobicContact CD2-CB 4.34Å; L101-V147 HydrophobicContact CD2-CG1 3.9Å; L101-L148 HydrophobicContact CD1-CB 4.33Å; L101-L148 HydrophobicContact CD2-CB 3.83Å; L101-L148 HydrophobicContact CD2-CD1 4.28Å
102	A	76.9	Confident	80.3	Confident	23 Å²	23	18 Å²	18	19%	0.19	10%	0.104	C	C	.	.	H	α-helix	trans	-64.9	-39.8	175.8	0	0	0	0	0	112.3	V26 E98 H99	V26-A102 HydrophobicContact CG1-CB 4.14Å; E98-A102 WeakPolarHBondContact O-CB 3.42Å; E98-A102 PolarHBondContact O-N 3.46Å; H99-A102 PolarHBondContact O-N 2.88Å
103	F	71.1	Confident	80.3	Confident	77 Å²	77	20 Å²	20	34%	0.338	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	35	-177.8	-58.6	-78.8	0	0	0	113.3	V26 H29 H99 L105 T106	V26-F103 HydrophobicContact CG1-CE1 4.38Å; V26-F103 HydrophobicContact CG1-CZ 4.02Å; H29-F103 HydrophobicContact CB-CE2 3.72Å; H29-F103 HydrophobicContact CB-CZ 4.13Å; H99-F103 AromaticContact CD2-CD2 3.53Å; H99-F103 AromaticContact CD2-CE2 3.71Å; H99-F103 AromaticContact NE2-CD2 3.62Å; H99-F103 AromaticContact NE2-CE2 3.98Å; H99-F103 WeakPolarHBondContact O-CD2 3.42Å; H99-F103 PolarHBondContact O-N 3.21Å; H99-F103 VanDerWaalsContact O-N 3.08Å; F103-L105 PolarHBondContact O-N 2.9Å; F103-L105 VanDerWaalsContact O-N 3.14Å; F103-T106 PolarHBondContact O-N 2.9Å; F103-T106 PolarHBondContact O-OG1 2.99Å
104	H	67.2	Low	80.4	Confident	15 Å²	15	20.1 Å²	20.1	7%	0.069	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.6	-171.7	68.4	-85.9	0	0	0	115.6	C100 L101 V147 Q151	C100-H104 WeakPolarHBondContact O-CA 3.5Å; C100-H104 PolarHBondContact O-N 2.85Å; L101-H104 PolarHBondContact O-ND1 3.34Å; H104-V147 HydrophobicContact CB-CG1 3.4Å; H104-Q151 HydrophobicContact CB-CG 4.21Å; H104-Q151 PolarHBondContact O-NE2 2.95Å
105	L	61.2	Low	80.4	Confident	22 Å²	22	19.2 Å²	19.2	12%	0.115	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-22.7	-177	-65.2	172.3	0	0	0	113.2	F103 R372	F103-L105 PolarHBondContact O-N 2.9Å; F103-L105 VanDerWaalsContact O-N 3.14Å; L105-R372 PolarHBondContact O-NH1 2.84Å
106	T	59	Low	80.5	Confident	76 Å²	76	24 Å²	24	47%	0.466	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-31.2	-168.5	53.8	0	0	0	0	113.7	F103	F103-T106 PolarHBondContact O-N 2.9Å; F103-T106 PolarHBondContact O-OG1 2.99Å
107	N	64.7	Low	80.6	Confident	31 Å²	31	24.7 Å²	24.7	17%	0.166	14%	0.139	C	C	.	.			trans	-161.5	117.4	-175.1	-160.3	-11	0	0	0	115.7	A109	N107-A109 PolarHBondContact O-N 2.97Å; N107-A109 WeakPolarHBondContact OD1-CB 3.35Å; N107-A109 PolarHBondContact OD1-N 3.25Å
108	L	76.6	Confident	80.7	Confident	15 Å²	15	24.7 Å²	24.7	8%	0.079	14%	0.139	C	C	.	.	H	α-helix	trans	-71.5	-11.2	170.4	-82.8	163	0	0	0	113.6	C110 I111 S112 L154 H368 M371	L108-C110 VanDerWaalsContact C-N 3.34Å; L108-C110 PolarHBondContact O-N 2.82Å; L108-I111 HydrophobicContact CD2-CG2 3.75Å; L108-I111 VanDerWaalsContact O-CG2 3.22Å; L108-I111 WeakPolarHBondContact O-CG2 3.16Å; L108-S112 WeakPolarHBondContact O-CB 3.34Å; L108-S112 PolarHBondContact O-N 3.37Å; L108-L154 HydrophobicContact CD1-CB 3.92Å; L108-L154 HydrophobicContact CD1-CD1 3.95Å; L108-L154 HydrophobicContact CD2-CB 3.72Å; L108-L154 HydrophobicContact CD2-CD1 4.3Å; L108-H368 HydrophobicContact CD1-CB 4.18Å; L108-H368 WeakPolarHBondContact CD1-CD2 3.23Å; L108-M371 HydrophobicContact CD1-SD 4.46Å
109	A	79.5	Confident	80.7	Confident	27 Å²	27	26 Å²	26	22%	0.223	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-38.2	177.6	0	0	0	0	0	112.2	A65 N107 S112 H113	A65-A109 HydrophobicContact CB-CB 4.23Å; N107-A109 PolarHBondContact O-N 2.97Å; N107-A109 WeakPolarHBondContact OD1-CB 3.35Å; N107-A109 PolarHBondContact OD1-N 3.25Å; A109-S112 WeakPolarHBondContact O-CB 3.45Å; A109-S112 PolarHBondContact O-N 2.94Å; A109-H113 PolarHBondContact O-CD2 2.87Å; A109-H113 PolarHBondContact O-N 3.44Å
110	C	84.6	Confident	80.8	Confident	11 Å²	11	31.8 Å²	31.8	7%	0.074	19%	0.185	C	C	.	.	H	α-helix	trans	-62.2	-49.4	-179.9	-60.7	0	0	0	0	110.9	Y68 L108 S112 H113 F114	Y68-C110 HydrophobicContact CD1-CB 4.04Å; Y68-C110 VanDerWaalsContact CD1-O 3.24Å; Y68-C110 WeakPolarHBondContact CD1-O 3.38Å; Y68-C110 HydrophobicContact CD2-CB 4.11Å; Y68-C110 HydrophobicContact CE1-CB 3.96Å; Y68-C110 HydrophobicContact CE2-CB 4.02Å; Y68-C110 HydrophobicContact CG-CB 4.1Å; L108-C110 VanDerWaalsContact C-N 3.34Å; L108-C110 PolarHBondContact O-N 2.82Å; C110-S112 VanDerWaalsContact C-N 3.28Å; C110-S112 PolarHBondContact O-N 3.37Å; C110-H113 PolarHBondContact O-N 3.06Å; C110-F114 VanDerWaalsContact O-CB 3.28Å; C110-F114 WeakPolarHBondContact O-CB 3.42Å; C110-F114 PolarHBondContact O-N 3.36Å
111	I	87.4	Confident	81.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.2	-34.7	175.8	-164.3	71.3	0	0	0	111.4	L108 F114 V115 Q151	L108-I111 HydrophobicContact CD2-CG2 3.75Å; L108-I111 VanDerWaalsContact O-CG2 3.22Å; L108-I111 WeakPolarHBondContact O-CG2 3.16Å; I111-F114 HydrophobicContact CD1-CD1 4.19Å; I111-F114 PolarHBondContact O-N 2.88Å; I111-V115 HydrophobicContact CD1-CG2 4.28Å; I111-V115 HydrophobicContact CG1-CG2 4.01Å; I111-V115 WeakPolarHBondContact O-CB 3.42Å; I111-V115 VanDerWaalsContact O-CG2 3.27Å; I111-V115 WeakPolarHBondContact O-CG2 3.43Å; I111-V115 PolarHBondContact O-N 2.83Å; I111-Q151 HydrophobicContact CB-CB 4.3Å; I111-Q151 HydrophobicContact CD1-CB 4.39Å; I111-Q151 HydrophobicContact CG1-CB 3.95Å; I111-Q151 HydrophobicContact CG2-CB 4.22Å
112	S	87.8	Confident	81.5	Confident	29 Å²	29	32.6 Å²	32.6	20%	0.203	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-52.4	177.2	-176.1	0	0	0	0	111.4	L108 A109 C110 F114 V115 Q116 Y155	L108-S112 WeakPolarHBondContact O-CB 3.34Å; L108-S112 PolarHBondContact O-N 3.37Å; A109-S112 WeakPolarHBondContact O-CB 3.45Å; A109-S112 PolarHBondContact O-N 2.94Å; C110-S112 VanDerWaalsContact C-N 3.28Å; C110-S112 PolarHBondContact O-N 3.37Å; S112-F114 VanDerWaalsContact C-N 3.31Å; S112-F114 PolarHBondContact O-N 2.94Å; S112-V115 PolarHBondContact O-N 3.49Å; S112-Q116 VanDerWaalsContact O-CB 3.28Å; S112-Q116 WeakPolarHBondContact O-CB 3.5Å; S112-Q116 WeakPolarHBondContact O-CG 3.45Å; S112-Q116 PolarHBondContact O-N 3.1Å; S112-Q116 PolarHBondContact OG-NE2 2.77Å; S112-Y155 WeakPolarHBondContact OG-CE2 3.42Å
113	H	89.1	Confident	82.1	Confident	40 Å²	40	31.5 Å²	31.5	19%	0.185	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-37	176.3	-70.6	-60	0	0	0	112.1	A109 C110 G117	A109-H113 PolarHBondContact O-CD2 2.87Å; A109-H113 PolarHBondContact O-N 3.44Å; C110-H113 PolarHBondContact O-N 3.06Å; H113-G117 PolarHBondContact O-N 2.83Å
114	F	91.6	Very high	83	Confident	3 Å²	3	29.9 Å²	29.9	1%	0.013	18%	0.177	C	C	.	.	H	α-helix	trans	-60.8	-48.6	175.4	-170.9	-102.7	0	0	0	112.1	Y68 T72 L93 L96 L97 C110 I111 S112 L118 F125	Y68-F114 HydrophobicContact CD1-CB 4.03Å; Y68-F114 HydrophobicContact CD1-CD2 4.39Å; Y68-F114 HydrophobicContact CE1-CB 4.35Å; Y68-F114 HydrophobicContact CE1-CD2 4.36Å; T72-F114 HydrophobicContact CG2-CD2 4.13Å; T72-F114 WeakPolarHBondContact CG2-O 3.46Å; L93-F114 HydrophobicContact CB-CE2 4.45Å; L93-F114 HydrophobicContact CD2-CE2 4.01Å; L93-F114 WeakPolarHBondContact O-CE2 3.23Å; L96-F114 HydrophobicContact CB-CD2 4.12Å; L96-F114 HydrophobicContact CB-CE2 3.99Å; L97-F114 HydrophobicContact CB-CE1 4.29Å; L97-F114 HydrophobicContact CB-CE2 4.38Å; L97-F114 HydrophobicContact CB-CZ 3.86Å; L97-F114 HydrophobicContact CD1-CD1 4.38Å; L97-F114 HydrophobicContact CD1-CE1 3.9Å; L97-F114 HydrophobicContact CD1-CZ 4.34Å; C110-F114 VanDerWaalsContact O-CB 3.28Å; C110-F114 WeakPolarHBondContact O-CB 3.42Å; C110-F114 PolarHBondContact O-N 3.36Å; I111-F114 HydrophobicContact CD1-CD1 4.19Å; I111-F114 PolarHBondContact O-N 2.88Å; S112-F114 VanDerWaalsContact C-N 3.31Å; S112-F114 PolarHBondContact O-N 2.94Å; F114-L118 HydrophobicContact CD1-CD1 3.87Å; F114-L118 HydrophobicContact CE1-CD1 3.33Å; F114-L118 HydrophobicContact CE2-CD1 4.28Å; F114-L118 HydrophobicContact CZ-CD1 3.58Å; F114-L118 WeakPolarHBondContact O-CB 3.04Å; F114-L118 PolarHBondContact O-N 3.45Å; F114-L118 VanDerWaalsContact O-N 3.08Å; F114-F125 HydrophobicContact CE1-CE1 4.14Å; F114-F125 HydrophobicContact CZ-CD1 4.43Å; F114-F125 AromaticContact CZ-CE1 3.73Å; F114-F125 HydrophobicContact CZ-CE1 3.73Å; F114-F125 HydrophobicContact CZ-CZ 4.16Å
115	V	90.6	Very high	84.3	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.024	17%	0.173	C	C	.	.	H	α-helix	trans	-71.7	-40.7	-179.3	175.4	0	0	0	0	111.3	I111 S112 L118 G119 L152 Y155 I163	I111-V115 HydrophobicContact CD1-CG2 4.28Å; I111-V115 HydrophobicContact CG1-CG2 4.01Å; I111-V115 WeakPolarHBondContact O-CB 3.42Å; I111-V115 VanDerWaalsContact O-CG2 3.27Å; I111-V115 WeakPolarHBondContact O-CG2 3.43Å; I111-V115 PolarHBondContact O-N 2.83Å; S112-V115 PolarHBondContact O-N 3.49Å; V115-L118 PolarHBondContact O-N 2.95Å; V115-G119 PolarHBondContact O-N 2.87Å; V115-L152 HydrophobicContact CG2-CD2 3.7Å; V115-Y155 HydrophobicContact CB-CD1 4.36Å; V115-Y155 HydrophobicContact CB-CE1 4.06Å; V115-Y155 HydrophobicContact CB-CE2 4.45Å; V115-Y155 HydrophobicContact CG1-CD1 3.95Å; V115-Y155 HydrophobicContact CG1-CE1 3.42Å; V115-Y155 VanDerWaalsContact CG1-CE1 3.42Å; V115-I163 HydrophobicContact CG1-CG1 4.04Å
116	Q	90.3	Very high	85.9	Confident	110 Å²	110	28.3 Å²	28.3	51%	0.514	17%	0.169	S	C	.	.	H	α-helix	trans	-62.6	-43	175.6	-73.8	172.4	-3	0	0	111.7	S112 G119 Y155	S112-Q116 VanDerWaalsContact O-CB 3.28Å; S112-Q116 WeakPolarHBondContact O-CB 3.5Å; S112-Q116 WeakPolarHBondContact O-CG 3.45Å; S112-Q116 PolarHBondContact O-N 3.1Å; S112-Q116 PolarHBondContact OG-NE2 2.77Å; Q116-G119 PolarHBondContact O-N 2.95Å; Q116-Y155 HydrophobicContact CG-CE2 4.39Å; Q116-Y155 WeakPolarHBondContact CG-OH 3.25Å
117	G	90.1	Very high	87.5	Confident	15 Å²	15	29 Å²	29	16%	0.155	16%	0.163	C	C	.	.	H	α-helix	trans	-68.1	-31.9	178.4	0	0	0	0	0	113.4	T76 H113	T76-G117 VanDerWaalsContact CB-O 3.24Å; T76-G117 WeakPolarHBondContact CB-O 3.4Å; T76-G117 WeakPolarHBondContact CG2-O 3.49Å; T76-G117 PolarHBondContact OG1-O 2.94Å; H113-G117 PolarHBondContact O-N 2.83Å
118	L	90.9	Very high	88.7	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-79.1	-27.4	173.2	-82.1	169.9	0	0	0	113.5	T72 T76 L93 F114 V115 N120 S121 V122 F125	T72-L118 HydrophobicContact CG2-CG 4.44Å; T76-L118 HydrophobicContact CG2-CD2 4.26Å; L93-L118 HydrophobicContact CD1-CD2 4.05Å; L93-L118 HydrophobicContact CD2-CD2 4.25Å; F114-L118 HydrophobicContact CD1-CD1 3.87Å; F114-L118 HydrophobicContact CE1-CD1 3.33Å; F114-L118 HydrophobicContact CE2-CD1 4.28Å; F114-L118 HydrophobicContact CZ-CD1 3.58Å; F114-L118 WeakPolarHBondContact O-CB 3.04Å; F114-L118 PolarHBondContact O-N 3.45Å; F114-L118 VanDerWaalsContact O-N 3.08Å; V115-L118 PolarHBondContact O-N 2.95Å; L118-N120 PolarHBondContact O-N 3.16Å; L118-S121 WeakPolarHBondContact O-CB 3.17Å; L118-S121 PolarHBondContact O-N 2.99Å; L118-V122 HydrophobicContact CB-CB 4.01Å; L118-V122 HydrophobicContact CD1-CB 4.34Å; L118-V122 HydrophobicContact CD1-CG2 4.13Å; L118-F125 HydrophobicContact CD1-CD1 3.92Å; L118-F125 HydrophobicContact CD1-CE1 4.42Å; L118-F125 HydrophobicContact CD1-CG 4.32Å; L118-F125 HydrophobicContact CD2-CB 4.32Å; L118-F125 HydrophobicContact CD2-CG 4.35Å
119	G	87	Confident	89.4	Confident	32 Å²	32	30.4 Å²	30.4	33%	0.33	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	52.3	-126.7	-179.2	0	0	0	0	0	113	V115 Q116 S121 V122	V115-G119 PolarHBondContact O-N 2.87Å; Q116-G119 PolarHBondContact O-N 2.95Å; G119-S121 PolarHBondContact O-N 2.97Å; G119-V122 WeakPolarHBondContact O-CG1 3.25Å
120	N	84.4	Confident	90	Very high	132 Å²	132	29.2 Å²	29.2	71%	0.706	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-70.6	-18.8	-179.2	-68.7	-30.5	0	0	0	113.5	L118 V122	L118-N120 PolarHBondContact O-N 3.16Å; N120-V122 VanDerWaalsContact C-N 3.28Å; N120-V122 PolarHBondContact O-N 3.34Å
121	S	89.1	Confident	90.1	Very high	20 Å²	20	30.9 Å²	30.9	14%	0.14	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-78.8	-10.1	-177	-65	0	0	0	0	113.2	E80 L118 G119 G123 D124 F125	E80-S121 WeakPolarHBondContact CG-OG 3.43Å; E80-S121 WeakPolarHBondContact OE1-CB 3.42Å; E80-S121 PolarHBondContact OE1-OG 3.17Å; L118-S121 WeakPolarHBondContact O-CB 3.17Å; L118-S121 PolarHBondContact O-N 2.99Å; G119-S121 PolarHBondContact O-N 2.97Å; S121-G123 VanDerWaalsContact C-N 3.25Å; S121-G123 PolarHBondContact O-N 3.38Å; S121-D124 PolarHBondContact O-N 3.29Å; S121-D124 VanDerWaalsContact O-N 3.13Å; S121-F125 WeakPolarHBondContact O-CB 3.46Å; S121-F125 PolarHBondContact O-N 3.11Å
122	V	91.8	Very high	90.1	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-55.7	-38.4	179.3	69.9	0	0	0	0	112.9	L118 G119 N120 L126 I163	L118-V122 HydrophobicContact CB-CB 4.01Å; L118-V122 HydrophobicContact CD1-CB 4.34Å; L118-V122 HydrophobicContact CD1-CG2 4.13Å; G119-V122 WeakPolarHBondContact O-CG1 3.25Å; N120-V122 VanDerWaalsContact C-N 3.28Å; N120-V122 PolarHBondContact O-N 3.34Å; V122-L126 HydrophobicContact CG2-CD1 4.12Å; V122-L126 HydrophobicContact CG2-CG 4.37Å; V122-L126 WeakPolarHBondContact O-CB 3.41Å; V122-L126 VanDerWaalsContact O-CG 3.26Å; V122-L126 WeakPolarHBondContact O-CG 3.49Å; V122-L126 PolarHBondContact O-N 2.67Å; V122-I163 HydrophobicContact CG1-CD1 3.4Å; V122-I163 VanDerWaalsContact CG1-CD1 3.4Å; V122-I163 HydrophobicContact CG1-CG1 3.78Å
123	G	90.8	Very high	90.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.2	-38.8	-179.9	0	0	0	0	0	112.8	S121 R127 K170	S121-G123 VanDerWaalsContact C-N 3.25Å; S121-G123 PolarHBondContact O-N 3.38Å; G123-R127 WeakPolarHBondContact O-CB 3.27Å; G123-R127 PolarHBondContact O-N 3.28Å; G123-R127 VanDerWaalsContact O-N 3.14Å; G123-K170 WeakPolarHBondContact O-CB 3.28Å
124	D	90.3	Very high	89.9	Confident	43 Å²	43	30.3 Å²	30.3	23%	0.23	17%	0.166	C	C	.	.	H	α-helix	trans	-72.5	-43.4	176.5	-71.8	-53	0	0	0	111.1	S121 L126 R127 E128 K170	S121-D124 PolarHBondContact O-N 3.29Å; S121-D124 VanDerWaalsContact O-N 3.13Å; D124-L126 PolarHBondContact O-N 3.18Å; D124-R127 WeakPolarHBondContact O-CB 3.48Å; D124-R127 PolarHBondContact O-N 2.94Å; D124-R127 IonicContact OD1-CZ 3.77Å; D124-R127 IonicContact OD1-NH1 3.82Å; D124-R127 PolarHBondContact OD1-NH1 3.42Å; D124-R127 IonicContact OD1-NH2 3.05Å; D124-R127 PolarHBondContact OD1-NH2 2.94Å; D124-E128 WeakPolarHBondContact O-CG 3.1Å; D124-E128 PolarHBondContact O-N 3.12Å; D124-K170 VanDerWaalsContact CG-NZ 3.31Å; D124-K170 IonicContact OD1-NZ 2.92Å; D124-K170 PolarHBondContact OD1-NZ 2.96Å; D124-K170 IonicContact OD2-NZ 2.67Å; D124-K170 PolarHBondContact OD2-NZ 2.81Å; D124-K170 VanDerWaalsContact OD2-NZ 3.11Å
125	F	93.8	Very high	89.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.4	-47.2	174.5	173	-99.2	0	0	0	112.6	Y79 N90 L93 M94 L97 F114 L118 S121 R127 E128 N129	Y79-F125 HydrophobicContact CE1-CB 4.21Å; Y79-F125 HydrophobicContact CE2-CD2 4.03Å; Y79-F125 WeakPolarHBondContact OH-CA 3.4Å; Y79-F125 PolarHBondContact OH-N 2.93Å; N90-F125 WeakPolarHBondContact OD1-CE2 3.38Å; L93-F125 HydrophobicContact CB-CD2 4.33Å; L93-F125 HydrophobicContact CB-CE2 3.48Å; L93-F125 VanDerWaalsContact CB-CE2 3.48Å; L93-F125 HydrophobicContact CB-CZ 3.69Å; L93-F125 HydrophobicContact CD1-CD2 4.17Å; L93-F125 HydrophobicContact CD1-CE2 4.1Å; L93-F125 HydrophobicContact CG-CE2 4.43Å; M94-F125 HydrophobicContact CG-CE2 4.37Å; M94-F125 HydrophobicContact CG-CZ 4.14Å; L97-F125 HydrophobicContact CD2-CE1 4.02Å; F114-F125 HydrophobicContact CE1-CE1 4.14Å; F114-F125 HydrophobicContact CZ-CD1 4.43Å; F114-F125 AromaticContact CZ-CE1 3.73Å; F114-F125 HydrophobicContact CZ-CE1 3.73Å; F114-F125 HydrophobicContact CZ-CZ 4.16Å; L118-F125 HydrophobicContact CD1-CD1 3.92Å; L118-F125 HydrophobicContact CD1-CE1 4.42Å; L118-F125 HydrophobicContact CD1-CG 4.32Å; L118-F125 HydrophobicContact CD2-CB 4.32Å; L118-F125 HydrophobicContact CD2-CG 4.35Å; S121-F125 WeakPolarHBondContact O-CB 3.46Å; S121-F125 PolarHBondContact O-N 3.11Å; F125-R127 VanDerWaalsContact C-N 3.33Å; F125-R127 PolarHBondContact O-N 3.45Å; F125-E128 PolarHBondContact O-N 3.19Å; F125-N129 VanDerWaalsContact CD2-ND2 3.34Å; F125-N129 WeakPolarHBondContact CD2-ND2 3.4Å; F125-N129 VanDerWaalsContact CE2-ND2 3.27Å; F125-N129 WeakPolarHBondContact CE2-ND2 3.33Å; F125-N129 PolarHBondContact O-N 3.3Å; F125-N129 VanDerWaalsContact O-N 3.1Å; F125-N129 PolarHBondContact O-ND2 3.34Å
126	L	94.2	Very high	89	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	18%	0.184	C	C	.	.	H	α-helix	trans	-66.5	-35.7	177.5	-71.8	178.3	0	0	0	111.9	L97 V122 D124 N129 Y130 L148 L152 V167 V171 L174	L97-L126 HydrophobicContact CD2-CD2 4.15Å; V122-L126 HydrophobicContact CG2-CD1 4.12Å; V122-L126 HydrophobicContact CG2-CG 4.37Å; V122-L126 WeakPolarHBondContact O-CB 3.41Å; V122-L126 VanDerWaalsContact O-CG 3.26Å; V122-L126 WeakPolarHBondContact O-CG 3.49Å; V122-L126 PolarHBondContact O-N 2.67Å; D124-L126 PolarHBondContact O-N 3.18Å; L126-N129 PolarHBondContact O-N 3.07Å; L126-Y130 WeakPolarHBondContact O-CA 3.4Å; L126-Y130 WeakPolarHBondContact O-CB 3.46Å; L126-Y130 PolarHBondContact O-N 2.99Å; L126-L148 HydrophobicContact CD1-CD2 4.48Å; L126-L148 HydrophobicContact CD2-CD2 3.82Å; L126-L152 HydrophobicContact CD1-CD1 4.04Å; L126-V167 HydrophobicContact CD1-CG1 3.97Å; L126-V167 HydrophobicContact CD1-CG2 4.05Å; L126-V171 HydrophobicContact CB-CG2 4.25Å; L126-L174 HydrophobicContact CD1-CD1 4.37Å
127	R	92.7	Very high	88.6	Confident	91 Å²	91	29.8 Å²	29.8	34%	0.343	16%	0.163	S	C	.	.	H	α-helix	trans	-64.9	-42.9	176.8	-176.2	-173.1	62.1	-160.8	-11.6	111.8	G123 D124 F125 N129 V171	G123-R127 WeakPolarHBondContact O-CB 3.27Å; G123-R127 PolarHBondContact O-N 3.28Å; G123-R127 VanDerWaalsContact O-N 3.14Å; D124-R127 WeakPolarHBondContact O-CB 3.48Å; D124-R127 PolarHBondContact O-N 2.94Å; D124-R127 IonicContact OD1-CZ 3.77Å; D124-R127 IonicContact OD1-NH1 3.82Å; D124-R127 PolarHBondContact OD1-NH1 3.42Å; D124-R127 IonicContact OD1-NH2 3.05Å; D124-R127 PolarHBondContact OD1-NH2 2.94Å; F125-R127 VanDerWaalsContact C-N 3.33Å; F125-R127 PolarHBondContact O-N 3.45Å; R127-N129 VanDerWaalsContact C-N 3.34Å; R127-V171 VanDerWaalsContact CA-CG2 3.44Å; R127-V171 HydrophobicContact CB-CG2 3.69Å; R127-V171 HydrophobicContact CG-CG2 4.37Å
128	E	90.5	Very high	88.1	Confident	67 Å²	67	34.4 Å²	34.4	31%	0.313	18%	0.176	S	C	.	.	H	α-helix	trans	-68.3	-33.8	-179.7	-69.7	178.7	-167.8	0	0	111.8	Y79 K82 D124 F125	Y79-E128 PolarHBondContact OH-OE2 3.16Å; Y79-E128 VanDerWaalsContact OH-OE2 3.13Å; K82-E128 IonicContact NZ-OE1 3.06Å; D124-E128 WeakPolarHBondContact O-CG 3.1Å; D124-E128 PolarHBondContact O-N 3.12Å; F125-E128 PolarHBondContact O-N 3.19Å
129	N	91.8	Very high	87.3	Confident	8 Å²	8	41.7 Å²	41.7	4%	0.043	21%	0.208	C	C	.	.	H	α-helix	trans	-105.8	-2.6	-174.6	-61.6	-72.2	0	0	0	114.9	N90 M94 F125 L126 R127 N131 C132 I133	N90-N129 PolarHBondContact ND2-OD1 3Å; N90-N129 PolarHBondContact OD1-ND2 3.44Å; M94-N129 HydrophobicContact CG-CB 4.38Å; M94-N129 HydrophobicContact SD-CB 4.18Å; M94-N129 PolarHBondContact SD-OD1 3.45Å; F125-N129 VanDerWaalsContact CD2-ND2 3.34Å; F125-N129 WeakPolarHBondContact CD2-ND2 3.4Å; F125-N129 VanDerWaalsContact CE2-ND2 3.27Å; F125-N129 WeakPolarHBondContact CE2-ND2 3.33Å; F125-N129 PolarHBondContact O-N 3.3Å; F125-N129 VanDerWaalsContact O-N 3.1Å; F125-N129 PolarHBondContact O-ND2 3.34Å; L126-N129 PolarHBondContact O-N 3.07Å; R127-N129 VanDerWaalsContact C-N 3.34Å; N129-N131 VanDerWaalsContact C-N 3.26Å; N129-N131 PolarHBondContact O-N 3.11Å; N129-C132 WeakPolarHBondContact O-CB 3.48Å; N129-C132 PolarHBondContact O-N 3.43Å; N129-C132 VanDerWaalsContact O-N 3.08Å; N129-I133 PolarHBondContact O-N 3.43Å
130	Y	91	Very high	86.6	Confident	3 Å²	3	42.9 Å²	42.9	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-54.5	-40.8	-177.9	172.8	-104.9	0	0	0	112.8	L126 C132 I133 A134 V171 A173 L174 V187	L126-Y130 WeakPolarHBondContact O-CA 3.4Å; L126-Y130 WeakPolarHBondContact O-CB 3.46Å; L126-Y130 PolarHBondContact O-N 2.99Å; Y130-C132 VanDerWaalsContact C-N 3.27Å; Y130-C132 PolarHBondContact O-N 2.87Å; Y130-I133 PolarHBondContact O-N 3.35Å; Y130-I133 VanDerWaalsContact O-N 3.17Å; Y130-A134 HydrophobicContact CE1-CB 4.09Å; Y130-A134 HydrophobicContact CE2-CB 4.36Å; Y130-A134 WeakPolarHBondContact O-CB 3.34Å; Y130-A134 PolarHBondContact O-N 3.37Å; Y130-V171 HydrophobicContact CD1-CG1 4.41Å; Y130-V171 HydrophobicContact CD2-CG1 3.84Å; Y130-V171 HydrophobicContact CE2-CG1 4.37Å; Y130-V171 HydrophobicContact CG-CG1 3.87Å; Y130-A173 HydrophobicContact CE1-CB 3.82Å; Y130-A173 HydrophobicContact CE2-CB 4.33Å; Y130-A173 WeakPolarHBondContact OH-CB 3.3Å; Y130-L174 HydrophobicContact CD2-CD2 3.97Å; Y130-L174 HydrophobicContact CD2-CG 4.01Å; Y130-L174 HydrophobicContact CE2-CD2 3.76Å; Y130-L174 HydrophobicContact CE2-CG 3.96Å; Y130-V187 HydrophobicContact CD1-CG2 3.79Å; Y130-V187 HydrophobicContact CE1-CG2 4.01Å
131	N	87.4	Confident	86	Confident	45 Å²	45	42.1 Å²	42.1	24%	0.241	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-35	-178.5	-72	-23.4	0	0	0	112.1	N129 H135	N129-N131 VanDerWaalsContact C-N 3.26Å; N129-N131 PolarHBondContact O-N 3.11Å; N131-H135 WeakPolarHBondContact O-CB 3.48Å; N131-H135 PolarHBondContact O-N 3.27Å
132	C	86.4	Confident	85.4	Confident	56 Å²	56	41.6 Å²	41.6	38%	0.378	20%	0.195	S	C	.	.	H	α-helix	trans	-65.8	-45.3	175.4	-61.3	0	0	0	0	111.2	N129 Y130 H135 C136	N129-C132 WeakPolarHBondContact O-CB 3.48Å; N129-C132 PolarHBondContact O-N 3.43Å; N129-C132 VanDerWaalsContact O-N 3.08Å; Y130-C132 VanDerWaalsContact C-N 3.27Å; Y130-C132 PolarHBondContact O-N 2.87Å; C132-H135 PolarHBondContact O-N 3.22Å; C132-C136 PolarHBondContact O-N 2.96Å
133	I	87.6	Confident	84.9	Confident	1 Å²	1	42 Å²	42	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-49.8	179.3	-53.2	172.1	0	0	0	110.2	F19 L97 N129 Y130 H135 C136 D137 L148	F19-I133 HydrophobicContact CD1-CG1 4.4Å; F19-I133 HydrophobicContact CE1-CG1 4Å; F19-I133 HydrophobicContact CE2-CG1 4.3Å; F19-I133 HydrophobicContact CZ-CD1 4.5Å; F19-I133 HydrophobicContact CZ-CG1 3.94Å; L97-I133 HydrophobicContact CD2-CD1 3.88Å; N129-I133 PolarHBondContact O-N 3.43Å; Y130-I133 PolarHBondContact O-N 3.35Å; Y130-I133 VanDerWaalsContact O-N 3.17Å; I133-H135 VanDerWaalsContact C-N 3.31Å; I133-H135 PolarHBondContact O-N 3.4Å; I133-C136 WeakPolarHBondContact O-CB 3.16Å; I133-C136 PolarHBondContact O-N 3.11Å; I133-D137 PolarHBondContact O-N 3.09Å; I133-L148 HydrophobicContact CD1-CD2 4.23Å
134	A	84.8	Confident	84.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-34.5	179.3	0	0	0	0	0	112.4	Y130 D137 R138	Y130-A134 HydrophobicContact CE1-CB 4.09Å; Y130-A134 HydrophobicContact CE2-CB 4.36Å; Y130-A134 WeakPolarHBondContact O-CB 3.34Å; Y130-A134 PolarHBondContact O-N 3.37Å; A134-D137 PolarHBondContact O-N 2.78Å; A134-R138 WeakPolarHBondContact O-CG 3.4Å; A134-R138 PolarHBondContact O-N 3.24Å
135	H	83.4	Confident	84.6	Confident	89 Å²	89	40.5 Å²	40.5	41%	0.412	19%	0.189	S	C	.	.	H	α-helix	trans	-64.9	-43.7	173	-176.4	91.9	0	0	0	111.5	N131 C132 I133 D137 R138 K139	N131-H135 WeakPolarHBondContact O-CB 3.48Å; N131-H135 PolarHBondContact O-N 3.27Å; C132-H135 PolarHBondContact O-N 3.22Å; I133-H135 VanDerWaalsContact C-N 3.31Å; I133-H135 PolarHBondContact O-N 3.4Å; H135-D137 VanDerWaalsContact C-N 3.35Å; H135-D137 PolarHBondContact O-N 3.13Å; H135-R138 PolarHBondContact O-N 2.96Å; H135-K139 WeakPolarHBondContact O-CB 3.46Å; H135-K139 PolarHBondContact O-N 3.14Å
136	C	80.8	Confident	84.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-47.3	174.7	-165.2	0	0	0	0	111	F19 C132 I133 R138 K139 R140 Y144	F19-C136 HydrophobicContact CB-CB 4.2Å; F19-C136 HydrophobicContact CD1-CB 4.47Å; C132-C136 PolarHBondContact O-N 2.96Å; I133-C136 WeakPolarHBondContact O-CB 3.16Å; I133-C136 PolarHBondContact O-N 3.11Å; C136-R138 PolarHBondContact O-N 3.4Å; C136-K139 PolarHBondContact O-N 3.27Å; C136-R140 WeakPolarHBondContact O-CA 3.44Å; C136-R140 VanDerWaalsContact O-CB 3.32Å; C136-R140 WeakPolarHBondContact O-CB 3.49Å; C136-R140 PolarHBondContact O-N 3.08Å; C136-R140 PolarHBondContact SG-NH1 3.08Å; C136-Y144 HydrophobicContact CB-CD2 4.38Å
137	D	81.2	Confident	83.8	Confident	17 Å²	17	41.5 Å²	41.5	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-57.8	-46	177.3	-80.4	2.7	0	0	0	112.7	I133 A134 H135 N141 T142 A143 Y144 C145	I133-D137 PolarHBondContact O-N 3.09Å; A134-D137 PolarHBondContact O-N 2.78Å; H135-D137 VanDerWaalsContact C-N 3.35Å; H135-D137 PolarHBondContact O-N 3.13Å; D137-N141 VanDerWaalsContact O-CA 3.24Å; D137-N141 WeakPolarHBondContact O-CA 3.14Å; D137-N141 PolarHBondContact O-N 2.85Å; D137-T142 WeakPolarHBondContact CA-OG1 3.48Å; D137-T142 PolarHBondContact N-OG1 3.08Å; D137-T142 PolarHBondContact OD1-OG1 3.45Å; D137-A143 WeakPolarHBondContact OD1-CA 3.42Å; D137-A143 PolarHBondContact OD1-N 3.27Å; D137-A143 WeakPolarHBondContact OD2-CA 3.41Å; D137-Y144 VanDerWaalsContact CG-N 3.31Å; D137-Y144 WeakPolarHBondContact OD1-CB 3.33Å; D137-Y144 PolarHBondContact OD1-N 3.35Å; D137-Y144 PolarHBondContact OD2-N 3.39Å; D137-C145 VanDerWaalsContact OD2-CB 3.32Å; D137-C145 WeakPolarHBondContact OD2-CB 3.48Å; D137-C145 PolarHBondContact OD2-N 3.23Å; D137-C145 PolarHBondContact OD2-SG 2.86Å
138	R	79.8	Confident	83.7	Confident	113 Å²	113	37.3 Å²	37.3	43%	0.426	18%	0.179	S	C	.	.	H	α-helix	trans	-67.8	-41.4	179.2	-72.9	-173.2	-64.4	-105	2.3	113.2	A134 H135 C136 P183	A134-R138 WeakPolarHBondContact O-CG 3.4Å; A134-R138 PolarHBondContact O-N 3.24Å; H135-R138 PolarHBondContact O-N 2.96Å; C136-R138 PolarHBondContact O-N 3.4Å; R138-P183 HydrophobicContact CG-CG 4.34Å
139	K	75.5	Confident	83.7	Confident	154 Å²	154	34.1 Å²	34.1	67%	0.67	16%	0.164	S	C	*	.	H	α-helix	trans	-83.4	-27.5	-174.4	-74.5	-66	-172.7	178	0	113.2	H135 C136	H135-K139 WeakPolarHBondContact O-CB 3.46Å; H135-K139 PolarHBondContact O-N 3.14Å; C136-K139 PolarHBondContact O-N 3.27Å
140	R	70.9	Confident	83.7	Confident	56 Å²	56	33.7 Å²	33.7	21%	0.211	16%	0.162	C	C	.	.	H	α-helix	trans	-128.4	-1.2	-168.3	-51.5	-156.6	-174.8	91.7	21.4	114.6	F19 V20 Q21 C136 T142	F19-R140 PolarHBondContact O-NH1 3.44Å; V20-R140 VanDerWaalsContact CA-NH1 3.26Å; V20-R140 VanDerWaalsContact CA-NH2 3.28Å; V20-R140 PolarHBondContact O-NE 3.24Å; V20-R140 PolarHBondContact O-NH1 2.99Å; V20-R140 PolarHBondContact O-NH2 3.41Å; Q21-R140 WeakPolarHBondContact O-CD 3.31Å; Q21-R140 PolarHBondContact O-NE 3.37Å; Q21-R140 PolarHBondContact O-NH1 3.15Å; C136-R140 WeakPolarHBondContact O-CA 3.44Å; C136-R140 VanDerWaalsContact O-CB 3.32Å; C136-R140 WeakPolarHBondContact O-CB 3.49Å; C136-R140 PolarHBondContact O-N 3.08Å; C136-R140 PolarHBondContact SG-NH1 3.08Å; R140-T142 HydrophobicContact CB-CG2 4.09Å; R140-T142 PolarHBondContact O-N 3Å
141	N	71.7	Confident	83.6	Confident	116 Å²	116	33.7 Å²	33.7	62%	0.62	16%	0.162	S	C	*	.			trans	57.7	34.5	177.4	-160	34.9	0	0	0	113.6	D137	D137-N141 VanDerWaalsContact O-CA 3.24Å; D137-N141 WeakPolarHBondContact O-CA 3.14Å; D137-N141 PolarHBondContact O-N 2.85Å
142	T	76.5	Confident	83.8	Confident	10 Å²	10	31.6 Å²	31.6	6%	0.061	15%	0.151	C	C	.	.			trans	-73.6	-26.2	-178	40.4	0	0	0	0	114	P23 D137 R140 Y144	P23-T142 HydrophobicContact CB-CG2 4.33Å; P23-T142 HydrophobicContact CG-CG2 4.41Å; D137-T142 WeakPolarHBondContact CA-OG1 3.48Å; D137-T142 PolarHBondContact N-OG1 3.08Å; D137-T142 PolarHBondContact OD1-OG1 3.45Å; R140-T142 HydrophobicContact CB-CG2 4.09Å; R140-T142 PolarHBondContact O-N 3Å; T142-Y144 HydrophobicContact CG2-CD2 4.17Å; T142-Y144 HydrophobicContact CG2-CE1 4.21Å; T142-Y144 HydrophobicContact CG2-CE2 3.71Å; T142-Y144 PolarHBondContact O-N 3.35Å
143	A	81.9	Confident	84.1	Confident	9 Å²	9	29 Å²	29	7%	0.074	13%	0.133	C	C	.	.			trans	54.3	27.8	-173.8	0	0	0	0	0	114.8	D137 C145 V146 V147 P287	D137-A143 WeakPolarHBondContact OD1-CA 3.42Å; D137-A143 PolarHBondContact OD1-N 3.27Å; D137-A143 WeakPolarHBondContact OD2-CA 3.41Å; A143-C145 VanDerWaalsContact C-N 3.25Å; A143-C145 PolarHBondContact O-N 2.85Å; A143-V146 WeakPolarHBondContact O-CB 3.2Å; A143-V146 PolarHBondContact O-N 3.07Å; A143-V147 WeakPolarHBondContact O-CG2 3.36Å; A143-V147 PolarHBondContact O-N 3Å; A143-P287 HydrophobicContact CB-CB 3.61Å
144	Y	86.4	Confident	84.3	Confident	13 Å²	13	29 Å²	29	5%	0.051	13%	0.133	C	C	.	.	H	α-helix	trans	-56	-32.5	176.9	-73.2	-22.9	0	0	0	113.5	F19 E98 L101 C136 D137 T142 V146 V147 L148	F19-Y144 AromaticContact CD1-CD2 3.81Å; F19-Y144 HydrophobicContact CD1-CD2 3.81Å; F19-Y144 HydrophobicContact CD1-CE2 4.01Å; F19-Y144 AromaticContact CE1-CD2 3.9Å; F19-Y144 HydrophobicContact CE1-CD2 3.9Å; F19-Y144 HydrophobicContact CE1-CE2 4.26Å; E98-Y144 HydrophobicContact CG-CE2 4.4Å; L101-Y144 HydrophobicContact CB-CD1 3.72Å; L101-Y144 HydrophobicContact CB-CE1 4.06Å; L101-Y144 HydrophobicContact CB-CG 4.25Å; L101-Y144 HydrophobicContact CD1-CD1 4.45Å; L101-Y144 HydrophobicContact CD1-CG 4.15Å; C136-Y144 HydrophobicContact CB-CD2 4.38Å; D137-Y144 VanDerWaalsContact CG-N 3.31Å; D137-Y144 WeakPolarHBondContact OD1-CB 3.33Å; D137-Y144 PolarHBondContact OD1-N 3.35Å; D137-Y144 PolarHBondContact OD2-N 3.39Å; T142-Y144 HydrophobicContact CG2-CD2 4.17Å; T142-Y144 HydrophobicContact CG2-CE1 4.21Å; T142-Y144 HydrophobicContact CG2-CE2 3.71Å; T142-Y144 PolarHBondContact O-N 3.35Å; Y144-V146 VanDerWaalsContact C-N 3.32Å; Y144-V146 PolarHBondContact O-N 3.28Å; Y144-V147 PolarHBondContact O-N 3.43Å; Y144-L148 WeakPolarHBondContact O-CB 3.41Å; Y144-L148 PolarHBondContact O-N 2.94Å
145	C	88	Confident	84.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.9	-39.5	172.8	-71.1	0	0	0	0	111.9	D137 A143 M149 L174 V177	D137-C145 VanDerWaalsContact OD2-CB 3.32Å; D137-C145 WeakPolarHBondContact OD2-CB 3.48Å; D137-C145 PolarHBondContact OD2-N 3.23Å; D137-C145 PolarHBondContact OD2-SG 2.86Å; A143-C145 VanDerWaalsContact C-N 3.25Å; A143-C145 PolarHBondContact O-N 2.85Å; C145-M149 WeakPolarHBondContact O-CB 3.38Å; C145-M149 WeakPolarHBondContact O-CG 3.45Å; C145-M149 PolarHBondContact O-N 3.22Å; C145-M149 VanDerWaalsContact O-N 3.1Å; C145-L174 HydrophobicContact CB-CD2 4.33Å; C145-V177 HydrophobicContact CB-CG1 3.92Å; C145-V177 HydrophobicContact CB-CG2 4.22Å
146	V	85.5	Confident	84.9	Confident	21 Å²	21	26.6 Å²	26.6	13%	0.127	12%	0.122	C	C	.	.	H	α-helix	trans	-69.4	-44.8	177	178.2	0	0	0	0	110.2	A143 Y144 M149 Q150 V177 I178	A143-V146 WeakPolarHBondContact O-CB 3.2Å; A143-V146 PolarHBondContact O-N 3.07Å; Y144-V146 VanDerWaalsContact C-N 3.32Å; Y144-V146 PolarHBondContact O-N 3.28Å; V146-M149 PolarHBondContact O-N 3.13Å; V146-Q150 PolarHBondContact O-N 3.49Å; V146-V177 HydrophobicContact CG2-CG1 3.74Å; V146-I178 HydrophobicContact CG1-CD1 4.41Å
147	V	86.9	Confident	85.3	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.018	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-42.6	178.1	178	0	0	0	0	111.3	L101 H104 A143 Y144 M149 Q150 Q151	L101-V147 HydrophobicContact CB-CG1 4.3Å; L101-V147 HydrophobicContact CD2-CB 4.34Å; L101-V147 HydrophobicContact CD2-CG1 3.9Å; H104-V147 HydrophobicContact CB-CG1 3.4Å; A143-V147 WeakPolarHBondContact O-CG2 3.36Å; A143-V147 PolarHBondContact O-N 3Å; Y144-V147 PolarHBondContact O-N 3.43Å; V147-M149 VanDerWaalsContact C-N 3.34Å; V147-M149 PolarHBondContact O-N 2.94Å; V147-Q150 WeakPolarHBondContact O-CB 3.37Å; V147-Q150 PolarHBondContact O-N 3.41Å; V147-Q151 HydrophobicContact CG1-CG 4.39Å; V147-Q151 VanDerWaalsContact O-CG 3.31Å; V147-Q151 WeakPolarHBondContact O-CG 3.39Å; V147-Q151 PolarHBondContact O-N 3.02Å
148	L	90.1	Very high	85.6	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-48.3	175.3	174.3	61.2	0	0	0	110.6	L97 L101 L126 I133 Y144 Q150 Q151 L152 L174	L97-L148 HydrophobicContact CD1-CD1 4.09Å; L101-L148 HydrophobicContact CD1-CB 4.33Å; L101-L148 HydrophobicContact CD2-CB 3.83Å; L101-L148 HydrophobicContact CD2-CD1 4.28Å; L126-L148 HydrophobicContact CD1-CD2 4.48Å; L126-L148 HydrophobicContact CD2-CD2 3.82Å; I133-L148 HydrophobicContact CD1-CD2 4.23Å; Y144-L148 WeakPolarHBondContact O-CB 3.41Å; Y144-L148 PolarHBondContact O-N 2.94Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 PolarHBondContact O-N 3.15Å; L148-Q151 PolarHBondContact O-N 3.34Å; L148-L152 HydrophobicContact CD1-CD1 3.8Å; L148-L152 HydrophobicContact CD1-CG 3.92Å; L148-L152 HydrophobicContact CG-CD1 3.9Å; L148-L152 HydrophobicContact CG-CG 4.38Å; L148-L152 WeakPolarHBondContact O-CB 3.43Å; L148-L152 WeakPolarHBondContact O-CG 3.41Å; L148-L152 PolarHBondContact O-N 3.44Å; L148-L174 HydrophobicContact CD2-CD1 4.23Å; L148-L174 HydrophobicContact CD2-CD2 4.1Å
149	M	91	Very high	85.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-36.8	178.6	-77.2	-50.6	-49.7	0	0	112.7	C145 V146 V147 L152 T153 L164 F168 L174 I178 Y408	C145-M149 WeakPolarHBondContact O-CB 3.38Å; C145-M149 WeakPolarHBondContact O-CG 3.45Å; C145-M149 PolarHBondContact O-N 3.22Å; C145-M149 VanDerWaalsContact O-N 3.1Å; V146-M149 PolarHBondContact O-N 3.13Å; V147-M149 VanDerWaalsContact C-N 3.34Å; V147-M149 PolarHBondContact O-N 2.94Å; M149-L152 HydrophobicContact SD-CD1 4.49Å; M149-T153 WeakPolarHBondContact O-CB 3.48Å; M149-T153 PolarHBondContact O-N 3.42Å; M149-T153 PolarHBondContact O-OG1 3.08Å; M149-L164 HydrophobicContact CE-CD1 4.48Å; M149-L164 HydrophobicContact CE-CD2 3.7Å; M149-L164 HydrophobicContact SD-CD2 4.46Å; M149-F168 HydrophobicContact CE-CE1 3.41Å; M149-F168 VanDerWaalsContact CE-CE1 3.41Å; M149-F168 HydrophobicContact CE-CZ 3.62Å; M149-F168 HydrophobicContact SD-CE1 4.11Å; M149-L174 HydrophobicContact CG-CB 4.27Å; M149-L174 HydrophobicContact CG-CD2 4.31Å; M149-L174 HydrophobicContact SD-CB 3.73Å; M149-L174 HydrophobicContact SD-CD1 4.38Å; M149-L174 HydrophobicContact SD-CD2 4.41Å; M149-L174 HydrophobicContact SD-CG 4.4Å; M149-I178 HydrophobicContact CB-CD1 3.79Å; M149-I178 HydrophobicContact CB-CG1 3.85Å; M149-I178 HydrophobicContact CG-CD1 4.42Å; M149-I178 HydrophobicContact CG-CG1 4.04Å; M149-Y408 HydrophobicContact CE-CE1 3.82Å; M149-Y408 WeakPolarHBondContact CE-OH 3.48Å
150	Q	90.6	Very high	86.1	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.5	-58	170.9	-177.2	177.9	11.8	0	0	110.2	V146 V147 L148 L152 T153 L154 F375 Y376	V146-Q150 PolarHBondContact O-N 3.49Å; V147-Q150 WeakPolarHBondContact O-CB 3.37Å; V147-Q150 PolarHBondContact O-N 3.41Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 PolarHBondContact O-N 3.15Å; Q150-L152 PolarHBondContact O-N 2.68Å; Q150-T153 WeakPolarHBondContact O-CB 3.43Å; Q150-T153 PolarHBondContact O-N 3.29Å; Q150-T153 VanDerWaalsContact O-N 3.13Å; Q150-L154 HydrophobicContact CG-CD1 4.38Å; Q150-L154 HydrophobicContact CG-CG 4.43Å; Q150-L154 VanDerWaalsContact O-CG 3.29Å; Q150-L154 WeakPolarHBondContact O-CG 3.41Å; Q150-L154 PolarHBondContact O-N 3.41Å; Q150-F375 VanDerWaalsContact CA-CZ 3.44Å; Q150-F375 HydrophobicContact CB-CD1 3.97Å; Q150-F375 HydrophobicContact CB-CE1 3.54Å; Q150-F375 HydrophobicContact CB-CE2 4.29Å; Q150-F375 HydrophobicContact CB-CG 4.5Å; Q150-F375 HydrophobicContact CB-CZ 3.72Å; Q150-F375 HydrophobicContact CG-CD1 3.65Å; Q150-F375 HydrophobicContact CG-CD2 4.49Å; Q150-F375 HydrophobicContact CG-CE1 3.79Å; Q150-F375 HydrophobicContact CG-CG 4.03Å; Q150-F375 HydrophobicContact CG-CZ 4.29Å; Q150-Y376 PolarHBondContact NE2-OH 3.04Å
151	Q	89.9	Confident	86.5	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-46.2	-177.1	-68	-68.1	-45.9	0	0	112.4	H104 I111 V147 L148 T153 L154 Y155	H104-Q151 HydrophobicContact CB-CG 4.21Å; H104-Q151 PolarHBondContact O-NE2 2.95Å; I111-Q151 HydrophobicContact CB-CB 4.3Å; I111-Q151 HydrophobicContact CD1-CB 4.39Å; I111-Q151 HydrophobicContact CG1-CB 3.95Å; I111-Q151 HydrophobicContact CG2-CB 4.22Å; V147-Q151 HydrophobicContact CG1-CG 4.39Å; V147-Q151 VanDerWaalsContact O-CG 3.31Å; V147-Q151 WeakPolarHBondContact O-CG 3.39Å; V147-Q151 PolarHBondContact O-N 3.02Å; L148-Q151 PolarHBondContact O-N 3.34Å; Q151-T153 VanDerWaalsContact C-N 3.35Å; Q151-T153 PolarHBondContact O-N 3.39Å; Q151-L154 PolarHBondContact O-N 2.79Å; Q151-Y155 WeakPolarHBondContact O-CB 3.29Å; Q151-Y155 PolarHBondContact O-N 3.2Å
152	L	92	Very high	87.1	Confident	2 Å²	2	17.1 Å²	17.1	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-64	-38.4	177	-68.5	176.2	0	0	0	112.5	V115 L126 L148 M149 Q150 Y155 D156 L164 V167	V115-L152 HydrophobicContact CG2-CD2 3.7Å; L126-L152 HydrophobicContact CD1-CD1 4.04Å; L148-L152 HydrophobicContact CD1-CD1 3.8Å; L148-L152 HydrophobicContact CD1-CG 3.92Å; L148-L152 HydrophobicContact CG-CD1 3.9Å; L148-L152 HydrophobicContact CG-CG 4.38Å; L148-L152 WeakPolarHBondContact O-CB 3.43Å; L148-L152 WeakPolarHBondContact O-CG 3.41Å; L148-L152 PolarHBondContact O-N 3.44Å; M149-L152 HydrophobicContact SD-CD1 4.49Å; Q150-L152 PolarHBondContact O-N 2.68Å; L152-Y155 PolarHBondContact O-N 3.32Å; L152-D156 WeakPolarHBondContact O-CB 3.37Å; L152-D156 PolarHBondContact O-N 3.12Å; L152-L164 HydrophobicContact CB-CD2 3.68Å; L152-L164 HydrophobicContact CB-CG 4.42Å; L152-L164 HydrophobicContact CD1-CD2 4.2Å; L152-V167 HydrophobicContact CD1-CG1 4.35Å; L152-V167 HydrophobicContact CD1-CG2 4.37Å
153	T	92.5	Very high	87.5	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-45.8	175.5	-58.9	0	0	0	0	111.2	M149 Q150 Q151 Y155 D156 I157 F375 I404 I407 Y408	M149-T153 WeakPolarHBondContact O-CB 3.48Å; M149-T153 PolarHBondContact O-N 3.42Å; M149-T153 PolarHBondContact O-OG1 3.08Å; Q150-T153 WeakPolarHBondContact O-CB 3.43Å; Q150-T153 PolarHBondContact O-N 3.29Å; Q150-T153 VanDerWaalsContact O-N 3.13Å; Q151-T153 VanDerWaalsContact C-N 3.35Å; Q151-T153 PolarHBondContact O-N 3.39Å; T153-Y155 VanDerWaalsContact C-N 3.35Å; T153-D156 PolarHBondContact O-N 3.29Å; T153-I157 HydrophobicContact CG2-CD1 4.16Å; T153-I157 VanDerWaalsContact O-CG1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.49Å; T153-I157 PolarHBondContact O-N 2.88Å; T153-F375 HydrophobicContact CG2-CD2 3.96Å; T153-F375 HydrophobicContact CG2-CE2 4.12Å; T153-I404 HydrophobicContact CG2-CG1 4.11Å; T153-I404 HydrophobicContact CG2-CG2 3.99Å; T153-I407 HydrophobicContact CG2-CD1 3.99Å; T153-Y408 PolarHBondContact OG1-OH 2.82Å
154	L	90.9	Very high	87.9	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-66	-40.5	179.4	-59.8	-163.2	0	0	0	111.1	L108 Q150 Q151 I157 V158 M371 R372 F375	L108-L154 HydrophobicContact CD1-CB 3.92Å; L108-L154 HydrophobicContact CD1-CD1 3.95Å; L108-L154 HydrophobicContact CD2-CB 3.72Å; L108-L154 HydrophobicContact CD2-CD1 4.3Å; Q150-L154 HydrophobicContact CG-CD1 4.38Å; Q150-L154 HydrophobicContact CG-CG 4.43Å; Q150-L154 VanDerWaalsContact O-CG 3.29Å; Q150-L154 WeakPolarHBondContact O-CG 3.41Å; Q150-L154 PolarHBondContact O-N 3.41Å; Q151-L154 PolarHBondContact O-N 2.79Å; L154-I157 HydrophobicContact CD2-CD1 4.38Å; L154-I157 PolarHBondContact O-N 2.96Å; L154-V158 WeakPolarHBondContact O-CG2 3.16Å; L154-V158 PolarHBondContact O-N 3.41Å; L154-M371 HydrophobicContact CB-CE 3.75Å; L154-M371 HydrophobicContact CD1-CB 4.05Å; L154-M371 HydrophobicContact CD2-CB 3.96Å; L154-M371 HydrophobicContact CD2-CE 4.12Å; L154-M371 HydrophobicContact CG-CE 4.34Å; L154-M371 WeakPolarHBondContact O-CE 3.49Å; L154-R372 HydrophobicContact CD1-CG 3.87Å; L154-F375 HydrophobicContact CD2-CB 4.23Å
155	Y	90.7	Very high	87.9	Confident	19 Å²	19	21.7 Å²	21.7	8%	0.075	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-45.8	173.1	173.7	-95.8	0	0	0	112.3	S112 V115 Q116 Q151 L152 T153 I157 V158 S159 I163	S112-Y155 WeakPolarHBondContact OG-CE2 3.42Å; V115-Y155 HydrophobicContact CB-CD1 4.36Å; V115-Y155 HydrophobicContact CB-CE1 4.06Å; V115-Y155 HydrophobicContact CB-CE2 4.45Å; V115-Y155 HydrophobicContact CG1-CD1 3.95Å; V115-Y155 HydrophobicContact CG1-CE1 3.42Å; V115-Y155 VanDerWaalsContact CG1-CE1 3.42Å; Q116-Y155 HydrophobicContact CG-CE2 4.39Å; Q116-Y155 WeakPolarHBondContact CG-OH 3.25Å; Q151-Y155 WeakPolarHBondContact O-CB 3.29Å; Q151-Y155 PolarHBondContact O-N 3.2Å; L152-Y155 PolarHBondContact O-N 3.32Å; T153-Y155 VanDerWaalsContact C-N 3.35Å; Y155-I157 VanDerWaalsContact C-N 3.3Å; Y155-I157 PolarHBondContact O-N 3.03Å; Y155-V158 PolarHBondContact O-N 3.41Å; Y155-S159 VanDerWaalsContact CE1-OG 3.32Å; Y155-S159 WeakPolarHBondContact CE1-OG 3.42Å; Y155-S159 VanDerWaalsContact O-CB 3.31Å; Y155-S159 WeakPolarHBondContact O-CB 3.49Å; Y155-S159 PolarHBondContact O-N 2.69Å; Y155-S159 PolarHBondContact O-OG 3.34Å; Y155-I163 HydrophobicContact CD1-CG2 3.98Å; Y155-I163 HydrophobicContact CE1-CG2 4.17Å
156	D	89.9	Confident	87.9	Confident	20 Å²	20	24.6 Å²	24.6	11%	0.107	15%	0.151	C	C	.	.	H	α-helix	trans	-66.2	-33.7	-179.1	-163	42	0	0	0	112.1	L152 T153 A160 T161 G162 I163 L164	L152-D156 WeakPolarHBondContact O-CB 3.37Å; L152-D156 PolarHBondContact O-N 3.12Å; T153-D156 PolarHBondContact O-N 3.29Å; D156-A160 VanDerWaalsContact O-CA 3.3Å; D156-A160 WeakPolarHBondContact O-CA 3.46Å; D156-A160 PolarHBondContact O-N 3Å; D156-T161 PolarHBondContact OD1-OG1 2.9Å; D156-G162 VanDerWaalsContact OD1-CA 3.29Å; D156-G162 WeakPolarHBondContact OD1-CA 2.96Å; D156-G162 PolarHBondContact OD1-N 3Å; D156-I163 HydrophobicContact CB-CG2 4.15Å; D156-I163 PolarHBondContact OD1-N 3.38Å; D156-L164 HydrophobicContact CB-CD1 4.27Å; D156-L164 HydrophobicContact CB-CG 4.37Å
157	I	89.8	Confident	88.1	Confident	3 Å²	3	23.6 Å²	23.6	2%	0.015	15%	0.145	C	C	.	.	H	α-helix	trans	-61.2	-46.4	173.5	-73.6	168.7	0	0	0	111.6	T153 L154 Y155 M371 M403 I404 I438	T153-I157 HydrophobicContact CG2-CD1 4.16Å; T153-I157 VanDerWaalsContact O-CG1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.49Å; T153-I157 PolarHBondContact O-N 2.88Å; L154-I157 HydrophobicContact CD2-CD1 4.38Å; L154-I157 PolarHBondContact O-N 2.96Å; Y155-I157 VanDerWaalsContact C-N 3.3Å; Y155-I157 PolarHBondContact O-N 3.03Å; I157-M371 HydrophobicContact CB-CE 4.11Å; I157-M371 HydrophobicContact CG2-CE 3.88Å; I157-M403 HydrophobicContact CB-CE 4.11Å; I157-M403 HydrophobicContact CD1-CE 4.03Å; I157-M403 HydrophobicContact CG1-CE 3.77Å; I157-M403 HydrophobicContact CG1-CG 4.33Å; I157-M403 HydrophobicContact CG1-SD 4.25Å; I157-M403 HydrophobicContact CG2-CE 3.33Å; I157-M403 HydrophobicContact CG2-SD 4.22Å; I157-I404 HydrophobicContact CD1-CD1 4.07Å; I157-I404 HydrophobicContact CD1-CG1 3.53Å; I157-I438 HydrophobicContact CG2-CG2 3.74Å
158	V	87.6	Confident	88.3	Confident	62 Å²	62	24.4 Å²	24.4	38%	0.376	15%	0.148	S	C	.	.	H	α-helix	trans	-73	-48.7	-177.6	175.9	0	0	0	0	110.5	L154 Y155 M371 I438	L154-V158 WeakPolarHBondContact O-CG2 3.16Å; L154-V158 PolarHBondContact O-N 3.41Å; Y155-V158 PolarHBondContact O-N 3.41Å; V158-M371 HydrophobicContact CG2-CE 3.6Å; V158-M371 HydrophobicContact CG2-SD 4.15Å; V158-I438 HydrophobicContact CG2-CD1 4.2Å
159	S	84.6	Confident	88.2	Confident	41 Å²	41	32.5 Å²	32.5	29%	0.287	18%	0.184	S	C	.	.	H	α-helix	trans	-82.3	-24.4	-171.8	67.2	0	0	0	0	114.3	Y155 T161	Y155-S159 VanDerWaalsContact CE1-OG 3.32Å; Y155-S159 WeakPolarHBondContact CE1-OG 3.42Å; Y155-S159 VanDerWaalsContact O-CB 3.31Å; Y155-S159 WeakPolarHBondContact O-CB 3.49Å; Y155-S159 PolarHBondContact O-N 2.69Å; Y155-S159 PolarHBondContact O-OG 3.34Å; S159-T161 PolarHBondContact O-N 3.32Å; S159-T161 WeakPolarHBondContact OG-CG2 3.09Å; S159-T161 PolarHBondContact OG-OG1 3.16Å; S159-T161 VanDerWaalsContact OG-OG1 3.05Å
160	A	80.7	Confident	88.2	Confident	49 Å²	49	35.2 Å²	35.2	41%	0.405	20%	0.195	S	C	.	.			trans	57	28.7	-174.5	0	0	0	0	0	114.6	D156	D156-A160 VanDerWaalsContact O-CA 3.3Å; D156-A160 WeakPolarHBondContact O-CA 3.46Å; D156-A160 PolarHBondContact O-N 3Å
161	T	80.4	Confident	88.2	Confident	78 Å²	78	35.2 Å²	35.2	48%	0.479	20%	0.196	S	C	.	.			trans	-78.5	-21.6	-173.5	49.9	0	0	0	0	113.5	D156 S159	D156-T161 PolarHBondContact OD1-OG1 2.9Å; S159-T161 PolarHBondContact O-N 3.32Å; S159-T161 WeakPolarHBondContact OG-CG2 3.09Å; S159-T161 PolarHBondContact OG-OG1 3.16Å; S159-T161 VanDerWaalsContact OG-OG1 3.05Å
162	G	82.4	Confident	88.1	Confident	24 Å²	24	38.7 Å²	38.7	25%	0.247	22%	0.218	C	C	.	.			trans	72.6	19.3	-173.2	0	0	0	0	0	112.9	D156 L164 N165	D156-G162 VanDerWaalsContact OD1-CA 3.29Å; D156-G162 WeakPolarHBondContact OD1-CA 2.96Å; D156-G162 PolarHBondContact OD1-N 3Å; G162-L164 PolarHBondContact O-N 3.01Å; G162-L164 VanDerWaalsContact O-N 3.16Å; G162-N165 WeakPolarHBondContact O-CB 3.44Å; G162-N165 PolarHBondContact O-N 3.17Å
163	I	86	Confident	87.8	Confident	13 Å²	13	39.3 Å²	39.3	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-32.5	-173.3	-166	66.4	0	0	0	112.3	V115 V122 Y155 D156 N165 I166 V167	V115-I163 HydrophobicContact CG1-CG1 4.04Å; V122-I163 HydrophobicContact CG1-CD1 3.4Å; V122-I163 VanDerWaalsContact CG1-CD1 3.4Å; V122-I163 HydrophobicContact CG1-CG1 3.78Å; Y155-I163 HydrophobicContact CD1-CG2 3.98Å; Y155-I163 HydrophobicContact CE1-CG2 4.17Å; D156-I163 HydrophobicContact CB-CG2 4.15Å; D156-I163 PolarHBondContact OD1-N 3.38Å; I163-N165 PolarHBondContact O-N 3.02Å; I163-I166 HydrophobicContact CD1-CD1 4.11Å; I163-I166 WeakPolarHBondContact O-CB 3.33Å; I163-I166 PolarHBondContact O-N 3.25Å; I163-V167 PolarHBondContact O-N 3.06Å
164	L	90.2	Very high	87.6	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-64.7	-25.4	179.2	-78.5	-179.3	0	0	0	113.5	M149 L152 D156 G162 I166 V167 F168 I407	M149-L164 HydrophobicContact CE-CD1 4.48Å; M149-L164 HydrophobicContact CE-CD2 3.7Å; M149-L164 HydrophobicContact SD-CD2 4.46Å; L152-L164 HydrophobicContact CB-CD2 3.68Å; L152-L164 HydrophobicContact CB-CG 4.42Å; L152-L164 HydrophobicContact CD1-CD2 4.2Å; D156-L164 HydrophobicContact CB-CD1 4.27Å; D156-L164 HydrophobicContact CB-CG 4.37Å; G162-L164 PolarHBondContact O-N 3.01Å; G162-L164 VanDerWaalsContact O-N 3.16Å; L164-I166 VanDerWaalsContact C-N 3.31Å; L164-I166 PolarHBondContact O-N 3.22Å; L164-V167 HydrophobicContact CD2-CB 4.38Å; L164-V167 PolarHBondContact O-N 3.36Å; L164-F168 HydrophobicContact CB-CD2 4.47Å; L164-F168 HydrophobicContact CB-CE2 4.07Å; L164-F168 HydrophobicContact CB-CZ 4.33Å; L164-F168 HydrophobicContact CD1-CZ 4.5Å; L164-F168 HydrophobicContact CD2-CE1 4.38Å; L164-F168 HydrophobicContact CD2-CZ 4.26Å; L164-F168 WeakPolarHBondContact O-CB 3.19Å; L164-F168 WeakPolarHBondContact O-CD2 3.39Å; L164-F168 WeakPolarHBondContact O-CG 3.2Å; L164-F168 PolarHBondContact O-N 2.72Å; L164-I407 HydrophobicContact CB-CG2 4.19Å; L164-I407 HydrophobicContact CD1-CD1 4.33Å; L164-I407 HydrophobicContact CD1-CG2 3.56Å
165	N	87	Confident	87.5	Confident	115 Å²	115	42.1 Å²	42.1	62%	0.615	24%	0.235	S	C	*	.	H	α-helix	trans	-65.6	-38.3	173.1	-66.3	-39.2	0	0	0	111.3	G162 I163 F169	G162-N165 WeakPolarHBondContact O-CB 3.44Å; G162-N165 PolarHBondContact O-N 3.17Å; I163-N165 PolarHBondContact O-N 3.02Å; N165-F169 WeakPolarHBondContact O-CB 3.4Å; N165-F169 PolarHBondContact O-N 2.87Å; N165-F169 VanDerWaalsContact O-N 3.09Å
166	I	86.4	Confident	87.1	Confident	60 Å²	60	45 Å²	45	31%	0.308	25%	0.25	S	C	.	.	H	α-helix	trans	-67.8	-47	176	-57	174.9	0	0	0	109.4	I163 L164 F168 F169 K170	I163-I166 HydrophobicContact CD1-CD1 4.11Å; I163-I166 WeakPolarHBondContact O-CB 3.33Å; I163-I166 PolarHBondContact O-N 3.25Å; L164-I166 VanDerWaalsContact C-N 3.31Å; L164-I166 PolarHBondContact O-N 3.22Å; I166-F168 PolarHBondContact O-N 3.29Å; I166-F169 PolarHBondContact O-N 2.8Å; I166-K170 HydrophobicContact CG2-CG 4.5Å; I166-K170 WeakPolarHBondContact O-CG 3.49Å; I166-K170 PolarHBondContact O-N 3.19Å
167	V	91.2	Very high	86.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-46.1	179.1	176.5	0	0	0	0	111.2	L126 L152 I163 L164 F169 K170 V171 L174	L126-V167 HydrophobicContact CD1-CG1 3.97Å; L126-V167 HydrophobicContact CD1-CG2 4.05Å; L152-V167 HydrophobicContact CD1-CG1 4.35Å; L152-V167 HydrophobicContact CD1-CG2 4.37Å; I163-V167 PolarHBondContact O-N 3.06Å; L164-V167 HydrophobicContact CD2-CB 4.38Å; L164-V167 PolarHBondContact O-N 3.36Å; V167-F169 VanDerWaalsContact C-N 3.34Å; V167-F169 PolarHBondContact O-N 3.15Å; V167-K170 PolarHBondContact O-N 3.45Å; V167-V171 WeakPolarHBondContact O-CA 3.48Å; V167-V171 PolarHBondContact O-N 2.83Å; V167-L174 HydrophobicContact CG1-CD1 3.68Å
168	F	90.5	Very high	86.6	Confident	21 Å²	21	44.1 Å²	44.1	9%	0.092	25%	0.245	C	C	.	.	H	α-helix	trans	-69.1	-30.9	179.3	-64.2	-28.5	0	0	0	113.7	M149 L164 I166 P172 K175 I407 Y408	M149-F168 HydrophobicContact CE-CE1 3.41Å; M149-F168 VanDerWaalsContact CE-CE1 3.41Å; M149-F168 HydrophobicContact CE-CZ 3.62Å; M149-F168 HydrophobicContact SD-CE1 4.11Å; L164-F168 HydrophobicContact CB-CD2 4.47Å; L164-F168 HydrophobicContact CB-CE2 4.07Å; L164-F168 HydrophobicContact CB-CZ 4.33Å; L164-F168 HydrophobicContact CD1-CZ 4.5Å; L164-F168 HydrophobicContact CD2-CE1 4.38Å; L164-F168 HydrophobicContact CD2-CZ 4.26Å; L164-F168 WeakPolarHBondContact O-CB 3.19Å; L164-F168 WeakPolarHBondContact O-CD2 3.39Å; L164-F168 WeakPolarHBondContact O-CG 3.2Å; L164-F168 PolarHBondContact O-N 2.72Å; I166-F168 PolarHBondContact O-N 3.29Å; F168-P172 WeakPolarHBondContact O-CA 3.49Å; F168-P172 WeakPolarHBondContact O-CG 3.34Å; F168-K175 HydrophobicContact CD1-CB 3.64Å; F168-K175 HydrophobicContact CD1-CD 4.43Å; F168-K175 HydrophobicContact CD1-CG 4.26Å; F168-K175 HydrophobicContact CD2-CD 4.21Å; F168-K175 HydrophobicContact CE1-CB 3.71Å; F168-K175 HydrophobicContact CE1-CG 4.12Å; F168-K175 HydrophobicContact CE2-CD 4.42Å; F168-K175 HydrophobicContact CG-CB 4.22Å; F168-K175 HydrophobicContact CG-CD 4.21Å; F168-K175 HydrophobicContact CZ-CB 4.34Å; F168-K175 HydrophobicContact CZ-CG 4.25Å; F168-I407 HydrophobicContact CE2-CG2 3.66Å; F168-I407 HydrophobicContact CZ-CG2 4.05Å; F168-Y408 HydrophobicContact CE1-CE1 4.36Å; F168-Y408 HydrophobicContact CZ-CD1 4.05Å; F168-Y408 AromaticContact CZ-CE1 3.76Å; F168-Y408 HydrophobicContact CZ-CE1 3.76Å
169	F	87.9	Confident	86.3	Confident	172 Å²	172	43.7 Å²	43.7	75%	0.754	24%	0.24	S	C	*	.	H	α-helix	trans	-67.4	-40.7	173.9	-179.5	-99.2	0	0	0	111.5	N165 I166 V167	N165-F169 WeakPolarHBondContact O-CB 3.4Å; N165-F169 PolarHBondContact O-N 2.87Å; N165-F169 VanDerWaalsContact O-N 3.09Å; I166-F169 PolarHBondContact O-N 2.8Å; V167-F169 VanDerWaalsContact C-N 3.34Å; V167-F169 PolarHBondContact O-N 3.15Å
170	K	90.5	Very high	85.7	Confident	56 Å²	56	45.7 Å²	45.7	24%	0.243	25%	0.251	C	S	.	.	H	α-helix	trans	-83.2	-34.9	-177.7	-64.7	-76.7	-173.2	153.8	0	113.2	G123 D124 I166 V167	G123-K170 WeakPolarHBondContact O-CB 3.28Å; D124-K170 VanDerWaalsContact CG-NZ 3.31Å; D124-K170 IonicContact OD1-NZ 2.92Å; D124-K170 PolarHBondContact OD1-NZ 2.96Å; D124-K170 IonicContact OD2-NZ 2.67Å; D124-K170 PolarHBondContact OD2-NZ 2.81Å; D124-K170 VanDerWaalsContact OD2-NZ 3.11Å; I166-K170 HydrophobicContact CG2-CG 4.5Å; I166-K170 WeakPolarHBondContact O-CG 3.49Å; I166-K170 PolarHBondContact O-N 3.19Å; V167-K170 PolarHBondContact O-N 3.45Å
171	V	91.5	Very high	84.8	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	26%	0.257	C	S	.	.			trans	-135.5	75.2	-176.3	-164.8	0	0	0	0	110.5	L126 R127 Y130 V167 A173 L174	L126-V171 HydrophobicContact CB-CG2 4.25Å; R127-V171 VanDerWaalsContact CA-CG2 3.44Å; R127-V171 HydrophobicContact CB-CG2 3.69Å; R127-V171 HydrophobicContact CG-CG2 4.37Å; Y130-V171 HydrophobicContact CD1-CG1 4.41Å; Y130-V171 HydrophobicContact CD2-CG1 3.84Å; Y130-V171 HydrophobicContact CE2-CG1 4.37Å; Y130-V171 HydrophobicContact CG-CG1 3.87Å; V167-V171 WeakPolarHBondContact O-CA 3.48Å; V167-V171 PolarHBondContact O-N 2.83Å; V171-A173 PolarHBondContact O-N 2.93Å; V171-A173 VanDerWaalsContact O-N 3.14Å; V171-L174 HydrophobicContact CB-CD1 4.04Å; V171-L174 HydrophobicContact CB-CG 4.35Å; V171-L174 HydrophobicContact CG1-CB 4.42Å; V171-L174 HydrophobicContact CG1-CD1 3.94Å; V171-L174 HydrophobicContact CG1-CG 3.82Å; V171-L174 PolarHBondContact O-N 3.15Å
172	P	86.5	Confident	83.2	Confident	75 Å²	75	52 Å²	52	49%	0.487	27%	0.267	S	S	.	.	H	α-helix	trans	-56.6	-31.2	179.5	-25.2	33.9	0	0	0	113.6	F168 L174 K175 E176	F168-P172 WeakPolarHBondContact O-CA 3.49Å; F168-P172 WeakPolarHBondContact O-CG 3.34Å; P172-L174 PolarHBondContact O-N 3.33Å; P172-K175 VanDerWaalsContact O-CB 3.26Å; P172-K175 WeakPolarHBondContact O-CB 3.35Å; P172-K175 PolarHBondContact O-N 2.81Å; P172-E176 PolarHBondContact O-N 3.43Å
173	A	86.1	Confident	81.3	Confident	14 Å²	14	52.5 Å²	52.5	12%	0.116	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-31.3	-178.8	0	0	0	0	0	113.5	Y130 V171 K175 E176 V177	Y130-A173 HydrophobicContact CE1-CB 3.82Å; Y130-A173 HydrophobicContact CE2-CB 4.33Å; Y130-A173 WeakPolarHBondContact OH-CB 3.3Å; V171-A173 PolarHBondContact O-N 2.93Å; V171-A173 VanDerWaalsContact O-N 3.14Å; A173-K175 VanDerWaalsContact C-N 3.29Å; A173-K175 PolarHBondContact O-N 2.92Å; A173-E176 PolarHBondContact O-N 3.47Å; A173-E176 VanDerWaalsContact O-N 3.14Å; A173-V177 WeakPolarHBondContact O-CG2 3.34Å; A173-V177 PolarHBondContact O-N 2.76Å
174	L	88.9	Confident	79	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-64.4	-35.3	176.1	-79.2	174.4	0	0	0	112.3	L126 Y130 C145 L148 M149 V167 V171 P172	L126-L174 HydrophobicContact CD1-CD1 4.37Å; Y130-L174 HydrophobicContact CD2-CD2 3.97Å; Y130-L174 HydrophobicContact CD2-CG 4.01Å; Y130-L174 HydrophobicContact CE2-CD2 3.76Å; Y130-L174 HydrophobicContact CE2-CG 3.96Å; C145-L174 HydrophobicContact CB-CD2 4.33Å; L148-L174 HydrophobicContact CD2-CD1 4.23Å; L148-L174 HydrophobicContact CD2-CD2 4.1Å; M149-L174 HydrophobicContact CG-CB 4.27Å; M149-L174 HydrophobicContact CG-CD2 4.31Å; M149-L174 HydrophobicContact SD-CB 3.73Å; M149-L174 HydrophobicContact SD-CD1 4.38Å; M149-L174 HydrophobicContact SD-CD2 4.41Å; M149-L174 HydrophobicContact SD-CG 4.4Å; V167-L174 HydrophobicContact CG1-CD1 3.68Å; V171-L174 HydrophobicContact CB-CD1 4.04Å; V171-L174 HydrophobicContact CB-CG 4.35Å; V171-L174 HydrophobicContact CG1-CB 4.42Å; V171-L174 HydrophobicContact CG1-CD1 3.94Å; V171-L174 HydrophobicContact CG1-CG 3.82Å; V171-L174 PolarHBondContact O-N 3.15Å; P172-L174 PolarHBondContact O-N 3.33Å
175	K	87.7	Confident	76.3	Confident	59 Å²	59	63.6 Å²	63.6	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-41.2	172.9	-170.2	176.6	174.8	166.2	0	111.2	F168 P172 A173 I178 L179 Y408	F168-K175 HydrophobicContact CD1-CB 3.64Å; F168-K175 HydrophobicContact CD1-CD 4.43Å; F168-K175 HydrophobicContact CD1-CG 4.26Å; F168-K175 HydrophobicContact CD2-CD 4.21Å; F168-K175 HydrophobicContact CE1-CB 3.71Å; F168-K175 HydrophobicContact CE1-CG 4.12Å; F168-K175 HydrophobicContact CE2-CD 4.42Å; F168-K175 HydrophobicContact CG-CB 4.22Å; F168-K175 HydrophobicContact CG-CD 4.21Å; F168-K175 HydrophobicContact CZ-CB 4.34Å; F168-K175 HydrophobicContact CZ-CG 4.25Å; P172-K175 VanDerWaalsContact O-CB 3.26Å; P172-K175 WeakPolarHBondContact O-CB 3.35Å; P172-K175 PolarHBondContact O-N 2.81Å; A173-K175 VanDerWaalsContact C-N 3.29Å; A173-K175 PolarHBondContact O-N 2.92Å; K175-I178 PolarHBondContact O-N 3.04Å; K175-L179 HydrophobicContact CG-CD1 4.37Å; K175-L179 WeakPolarHBondContact O-CG 3.46Å; K175-L179 PolarHBondContact O-N 2.99Å; K175-Y408 WeakPolarHBondContact CE-O 3.39Å; K175-Y408 HydrophobicContact CG-CD1 4.15Å; K175-Y408 PolarHBondContact NZ-O 2.91Å
176	E	84	Confident	73.8	Confident	80 Å²	80	64.3 Å²	64.3	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-39.4	-179.4	-63.4	-169.1	154.7	0	0	112.2	P172 A173 I178 L179 T180	P172-E176 PolarHBondContact O-N 3.43Å; A173-E176 PolarHBondContact O-N 3.47Å; A173-E176 VanDerWaalsContact O-N 3.14Å; E176-I178 PolarHBondContact O-N 3.4Å; E176-I178 VanDerWaalsContact O-N 3.16Å; E176-L179 CarbonylContact O-C 3.48Å; E176-L179 WeakPolarHBondContact O-CA 3.34Å; E176-L179 PolarHBondContact O-N 3.3Å; E176-T180 PolarHBondContact O-N 2.94Å; E176-T180 PolarHBondContact O-OG1 3.39Å
177	V	83.2	Confident	71.4	Confident	4 Å²	4	64 Å²	64	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-53.4	-38.2	177.1	170	0	0	0	0	112.2	C145 V146 A173 E181 P183	C145-V177 HydrophobicContact CB-CG1 3.92Å; C145-V177 HydrophobicContact CB-CG2 4.22Å; V146-V177 HydrophobicContact CG2-CG1 3.74Å; A173-V177 WeakPolarHBondContact O-CG2 3.34Å; A173-V177 PolarHBondContact O-N 2.76Å; V177-E181 PolarHBondContact O-N 3.42Å; V177-P183 HydrophobicContact CG2-CB 3.95Å
178	I	84.5	Confident	68.5	Low	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-69.6	-36.2	176.1	-66.9	-59.7	0	0	0	111.7	V146 M149 K175 E176 F375 V379 L382 R383 Y408	V146-I178 HydrophobicContact CG1-CD1 4.41Å; M149-I178 HydrophobicContact CB-CD1 3.79Å; M149-I178 HydrophobicContact CB-CG1 3.85Å; M149-I178 HydrophobicContact CG-CD1 4.42Å; M149-I178 HydrophobicContact CG-CG1 4.04Å; K175-I178 PolarHBondContact O-N 3.04Å; E176-I178 PolarHBondContact O-N 3.4Å; E176-I178 VanDerWaalsContact O-N 3.16Å; I178-F375 HydrophobicContact CD1-CZ 3.94Å; I178-V379 HydrophobicContact CD1-CG2 4.25Å; I178-V379 HydrophobicContact CG2-CG1 4.25Å; I178-V379 HydrophobicContact CG2-CG2 3.95Å; I178-L382 HydrophobicContact CG2-CD1 4.09Å; I178-R383 WeakPolarHBondContact O-CG 3.31Å; I178-R383 PolarHBondContact O-NE 2.64Å; I178-Y408 HydrophobicContact CB-CD1 4Å; I178-Y408 HydrophobicContact CB-CE1 3.68Å; I178-Y408 HydrophobicContact CG1-CD1 4.41Å; I178-Y408 HydrophobicContact CG1-CE1 3.58Å; I178-Y408 HydrophobicContact CG2-CD1 3.78Å; I178-Y408 HydrophobicContact CG2-CE1 3.66Å; I178-Y408 HydrophobicContact CG2-CE2 4.43Å; I178-Y408 HydrophobicContact CG2-CG 4.22Å
179	L	82.3	Confident	65.5	Low	53 Å²	53	72 Å²	72	28%	0.277	39%	0.385	S	S	.	.	H	α-helix	trans	-83.5	-29.3	-174.9	-62	176.8	0	0	0	114.4	K175 E176 L382	K175-L179 HydrophobicContact CG-CD1 4.37Å; K175-L179 WeakPolarHBondContact O-CG 3.46Å; K175-L179 PolarHBondContact O-N 2.99Å; E176-L179 CarbonylContact O-C 3.48Å; E176-L179 WeakPolarHBondContact O-CA 3.34Å; E176-L179 PolarHBondContact O-N 3.3Å; L179-L382 HydrophobicContact CD2-CB 4.2Å; L179-L382 HydrophobicContact CD2-CD2 4.3Å
180	T	71.2	Confident	62.5	Low	83 Å²	83	70.9 Å²	70.9	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-119.2	-4.9	-169.3	62.1	0	0	0	0	115.4	E176 Q182	E176-T180 PolarHBondContact O-N 2.94Å; E176-T180 PolarHBondContact O-OG1 3.39Å; T180-Q182 PolarHBondContact O-N 3.3Å; T180-Q182 PolarHBondContact OG1-N 3.49Å; T180-Q182 PolarHBondContact OG1-O 2.88Å
181	E	61.9	Low	59.4	Low	112 Å²	112	72.6 Å²	72.6	52%	0.523	41%	0.411	S	S	.	.	S	Bend	trans	64.2	-12.3	-170.2	-70.3	-178.5	170.8	0	0	116.2	V177 R383	V177-E181 PolarHBondContact O-N 3.42Å; E181-R383 VanDerWaalsContact CG-NH1 3.34Å; E181-R383 WeakPolarHBondContact OE1-CD 3.48Å; E181-R383 IonicContact OE1-CZ 3.46Å; E181-R383 IonicContact OE1-NE 3.46Å; E181-R383 IonicContact OE1-NH1 3.54Å; E181-R383 PolarHBondContact OE1-NH1 3.15Å
182	Q	47.6	Very low	56.3	Low	147 Å²	147	76.6 Å²	76.6	69%	0.687	45%	0.453	S	S	*	.	S	Bend	trans	-121.2	129	-177.4	-64.7	-152.7	-9.6	0	0	113.7	T180 R184	T180-Q182 PolarHBondContact O-N 3.3Å; T180-Q182 PolarHBondContact OG1-N 3.49Å; T180-Q182 PolarHBondContact OG1-O 2.88Å; Q182-R184 PolarHBondContact O-N 3.43Å
183	P	42.6	Very low	53.3	Low	35 Å²	35	77.2 Å²	77.2	23%	0.227	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-72.8	120.1	170.5	27	-29.7	0	0	0	111	R138 V177	R138-P183 HydrophobicContact CG-CG 4.34Å; V177-P183 HydrophobicContact CG2-CB 3.95Å
184	R	36.9	Very low	50.3	Low	189 Å²	189	84.3 Å²	84.3	71%	0.713	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-72.7	150.5	171	-80.5	-175.1	170.7	-175.6	-2.7	111.6	Q182	Q182-R184 PolarHBondContact O-N 3.43Å
185	G	34.7	Very low	47.3	Very low	58 Å²	58	89.7 Å²	89.7	60%	0.598	54%	0.538	S	S	*	.	S	Bend	trans	-73.5	156.3	-178.7	0	0	0	0	0	114.5
186	D	34.4	Very low	44.7	Very low	131 Å²	131	92.2 Å²	92.2	70%	0.701	56%	0.56	S	S	*	*			trans	32.3	98.5	171.9	-59.3	-13.2	0	0	0	117.6	S188	D186-S188 PolarHBondContact O-N 3.17Å
187	V	35.7	Very low	41.9	Very low	52 Å²	52	95.5 Å²	95.5	32%	0.315	58%	0.58	S	S	.	*			trans	-68.9	114.4	156.4	-176.5	0	0	0	0	106.3	Y130 T189	Y130-V187 HydrophobicContact CD1-CG2 3.79Å; Y130-V187 HydrophobicContact CE1-CG2 4.01Å; V187-T189 PolarHBondContact O-N 3.33Å
188	S	28.9	Very low	39.1	Very low	108 Å²	108	104 Å²	104	76%	0.755	62%	0.62	S	S	*	*			trans	-58.2	100.7	178.1	51.6	0	0	0	0	110.5	D186 T190	D186-S188 PolarHBondContact O-N 3.17Å; S188-T190 PolarHBondContact O-N 3.01Å
189	T	27.8	Very low	36.2	Very low	82 Å²	82	116.1 Å²	116.1	50%	0.503	67%	0.666	S	S	.	*			trans	-76.1	103.9	168.4	48.6	0	0	0	0	107.4	V187 S191	V187-T189 PolarHBondContact O-N 3.33Å; T189-S191 PolarHBondContact O-N 3.32Å
190	T	25.5	Very low	33.5	Very low	149 Å²	149	119.7 Å²	119.7	91%	0.914	69%	0.689	S	S	*	*			trans	-68.4	73.7	163.3	37.9	0	0	0	0	109	S188	S188-T190 PolarHBondContact O-N 3.01Å
191	S	24.8	Very low	31.3	Very low	91 Å²	91	123.1 Å²	123.1	64%	0.636	70%	0.704	S	S	*	*			trans	-125.4	79.5	173.6	57.7	0	0	0	0	108.4	T189 A193	T189-S191 PolarHBondContact O-N 3.32Å; S191-A193 PolarHBondContact O-N 3.5Å
192	G	26.7	Very low	29.5	Very low	86 Å²	86	127.2 Å²	127.2	89%	0.887	72%	0.721	S	S	*	*			trans	-87.1	87.4	170.4	0	0	0	0	0	110
193	A	23.5	Very low	28.5	Very low	87 Å²	87	127.3 Å²	127.3	72%	0.719	73%	0.726	S	S	*	*			trans	-74.8	135.4	166.1	0	0	0	0	0	110.6	S191	S191-A193 PolarHBondContact O-N 3.5Å
194	N	24.5	Very low	27.6	Very low	163 Å²	163	134.5 Å²	134.5	87%	0.872	76%	0.756	S	S	*	*			trans	45	97.6	147.8	-62.7	-21.3	0	0	0	119.7
195	S	24.4	Very low	26.9	Very low	115 Å²	115	134.2 Å²	134.2	80%	0.804	77%	0.768	S	S	*	*			trans	-138.6	112.6	139.3	-178.1	0	0	0	0	108.8	N197	S195-N197 PolarHBondContact O-N 2.77Å
196	P	34.3	Very low	26.3	Very low	112 Å²	112	136 Å²	136	73%	0.727	77%	0.768	S	S	*	*			trans	-84.4	108.2	-178.5	32.2	-27.1	0	0	0	108.5
197	N	24.9	Very low	25.7	Very low	149 Å²	149	139.8 Å²	139.8	80%	0.797	77%	0.773	S	S	*	*			trans	153.9	93	147.8	-81.2	-27.4	0	0	0	109.2	S195	S195-N197 PolarHBondContact O-N 2.77Å
198	Q	24.6	Very low	25.3	Very low	182 Å²	182	144.5 Å²	144.5	85%	0.85	80%	0.802	S	S	*	*			trans	-175.4	102.6	135.8	-100.8	163.9	27.2	0	0	108.8	V200	Q198-V200 PolarHBondContact O-N 2.94Å; Q198-V200 VanDerWaalsContact O-N 3.11Å
199	R	23.3	Very low	25.2	Very low	255 Å²	255	148.4 Å²	148.4	96%	0.962	81%	0.805	S	S	*	*			trans	-58.3	107.1	160.7	-79.3	174.9	169.1	173.8	-3.6	107.9
200	V	25	Very low	25.2	Very low	127 Å²	127	153.5 Å²	153.5	77%	0.77	82%	0.823	S	S	*	*			trans	-136.5	129.2	157.7	-174.1	0	0	0	0	109.3	Q198	Q198-V200 PolarHBondContact O-N 2.94Å; Q198-V200 VanDerWaalsContact O-N 3.11Å
201	N	25.7	Very low	25.2	Very low	155 Å²	155	155.7 Å²	155.7	83%	0.829	82%	0.823	S	S	*	*			trans	-40.5	130.4	-169.6	-77.9	-38.1	0	0	0	116.8	N203	N201-N203 PolarHBondContact O-N 3.32Å; N201-N203 VanDerWaalsContact O-N 3.09Å
202	K	24.5	Very low	25.3	Very low	199 Å²	199	160.4 Å²	160.4	87%	0.865	84%	0.835	S	S	*	*	S	Bend	trans	-55.7	106.1	151.6	-74.8	177.1	174	178.6	0	108.6
203	N	25.6	Very low	25.3	Very low	148 Å²	148	160.2 Å²	160.2	79%	0.791	83%	0.833	S	S	*	*			trans	161.5	88	148.2	-83.7	-11.4	0	0	0	108.7	N201	N201-N203 PolarHBondContact O-N 3.32Å; N201-N203 VanDerWaalsContact O-N 3.09Å
204	Q	24.7	Very low	25.2	Very low	186 Å²	186	161.4 Å²	161.4	87%	0.869	84%	0.835	S	S	*	*			trans	-176.2	72.3	154.8	-102.2	163.1	33.7	0	0	109.5	T206	Q204-T206 PolarHBondContact O-N 3.25Å
205	L	21.1	Very low	25.4	Very low	183 Å²	183	163.1 Å²	163.1	96%	0.958	84%	0.838	S	S	*	*			trans	-79.6	89.6	153.1	-100.7	129.8	0	0	0	106.1
206	T	22.9	Very low	25.5	Very low	97 Å²	97	165.7 Å²	165.7	60%	0.595	84%	0.837	S	S	*	*			trans	-163.4	129.8	169.7	15.6	0	0	0	0	112.8	Q204	Q204-T206 PolarHBondContact O-N 3.25Å
207	Y	22	Very low	25	Very low	210 Å²	210	165.7 Å²	165.7	82%	0.824	84%	0.835	S	S	*	*			trans	76	82.4	163.3	-59.6	-72.1	0	0	0	118.3	K209	Y207-K209 PolarHBondContact O-N 3.28Å; Y207-K209 VanDerWaalsContact O-N 3.09Å
208	V	27.1	Very low	25.1	Very low	150 Å²	150	167.6 Å²	167.6	91%	0.909	84%	0.839	S	S	*	*			trans	-56.8	105.6	145.4	176.4	0	0	0	0	107.1
209	K	26.8	Very low	25.1	Very low	190 Å²	190	168.9 Å²	168.9	83%	0.826	84%	0.836	S	S	*	*			trans	-66.2	137.2	172.2	-87.3	179.9	171	-179.8	0	109.4	Y207 E211	Y207-K209 PolarHBondContact O-N 3.28Å; Y207-K209 VanDerWaalsContact O-N 3.09Å; K209-E211 PolarHBondContact O-N 3.27Å
210	Q	26.4	Very low	25.1	Very low	189 Å²	189	165 Å²	165	88%	0.883	83%	0.831	S	S	*	*			trans	-53.6	116.5	172.6	-69.7	163.1	-43.3	0	0	110.5
211	E	26.9	Very low	25	Very low	196 Å²	196	162.7 Å²	162.7	92%	0.916	81%	0.814	S	S	*	*			trans	-84.4	110.5	159.8	-77	-179.6	163.4	0	0	107.8	K209	K209-E211 PolarHBondContact O-N 3.27Å
212	E	26.5	Very low	25.1	Very low	190 Å²	190	159.7 Å²	159.7	89%	0.888	80%	0.803	S	S	*	*			trans	-74.6	139.8	164.3	-69.9	177.6	148.6	0	0	109.4
213	G	26.2	Very low	25.3	Very low	82 Å²	82	159 Å²	159	85%	0.845	80%	0.803	S	S	*	*			trans	94.4	75.3	161.9	0	0	0	0	0	116.2
214	C	21.9	Very low	25.6	Very low	112 Å²	112	158.2 Å²	158.2	76%	0.757	79%	0.794	S	S	*	*			trans	-135	85	156.9	-163.3	0	0	0	0	109.1
215	E	29	Very low	26.3	Very low	199 Å²	199	151.5 Å²	151.5	93%	0.93	76%	0.763	S	S	*	*			trans	-81.6	6.5	169.2	-82.7	-169.4	153.1	0	0	112.9	T217	E215-T217 PolarHBondContact O-N 3.36Å
216	E	25.5	Very low	27.6	Very low	168 Å²	168	147.3 Å²	147.3	79%	0.785	74%	0.738	S	S	*	*			trans	-99	88.9	173.2	-74	-169.8	156.8	0	0	111.3
217	T	24.9	Very low	29.7	Very low	112 Å²	112	145.8 Å²	145.8	69%	0.687	74%	0.736	S	S	*	*			trans	176.3	59	137.4	31	0	0	0	0	109.8	E215 R219	E215-T217 PolarHBondContact O-N 3.36Å; T217-R219 HydrophobicContact CG2-CG 4.26Å; T217-R219 PolarHBondContact O-N 2.86Å
218	Q	26	Very low	32.6	Very low	189 Å²	189	136.6 Å²	136.6	88%	0.883	70%	0.7	S	S	*	*			trans	-67.1	77.8	145.7	-75.3	-175.9	-3.1	0	0	107	M220	Q218-M220 VanDerWaalsContact C-N 3.25Å; Q218-M220 PolarHBondContact O-N 3.14Å
219	R	25	Very low	35.5	Very low	210 Å²	210	130.2 Å²	130.2	79%	0.792	66%	0.66	S	S	*	*			trans	-58.7	97.9	165.5	-75.6	-178.5	-179.8	171.8	2.6	105.6	T217 I221	T217-R219 HydrophobicContact CG2-CG 4.26Å; T217-R219 PolarHBondContact O-N 2.86Å; R219-I221 VanDerWaalsContact C-N 3.32Å; R219-I221 PolarHBondContact O-N 3.2Å
220	M	22.7	Very low	38.7	Very low	173 Å²	173	121.1 Å²	121.1	85%	0.852	62%	0.621	S	S	*	*			trans	-52	104.3	164.1	-62.7	-167.1	-41.9	0	0	106.1	Q218 P222	Q218-M220 VanDerWaalsContact C-N 3.25Å; Q218-M220 PolarHBondContact O-N 3.14Å; M220-P222 VanDerWaalsContact O-CD 3.29Å; M220-P222 WeakPolarHBondContact O-CD 3.48Å; M220-P222 VanDerWaalsContact O-N 3.13Å
221	I	24.5	Very low	41.9	Very low	79 Å²	79	112.1 Å²	112.1	41%	0.405	58%	0.579	S	S	.	*			trans	-60.9	116.9	173.4	-59.9	174	0	0	0	104.5	R219	R219-I221 VanDerWaalsContact C-N 3.32Å; R219-I221 PolarHBondContact O-N 3.2Å
222	P	26.5	Very low	45.2	Very low	91 Å²	91	102.8 Å²	102.8	59%	0.591	54%	0.535	S	S	*	.			trans	-56.1	143.2	-172.6	-23.1	31.7	0	0	0	110.6	M220 Q224	M220-P222 VanDerWaalsContact O-CD 3.29Å; M220-P222 WeakPolarHBondContact O-CD 3.48Å; M220-P222 VanDerWaalsContact O-N 3.13Å; P222-Q224 PolarHBondContact O-N 3.26Å
223	E	28.9	Very low	48.4	Very low	186 Å²	186	93.8 Å²	93.8	87%	0.869	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	8.6	-179.8	-72.4	-179.2	131.9	0	0	116.1
224	Q	32.1	Very low	51.5	Low	130 Å²	130	90.3 Å²	90.3	61%	0.607	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-0.9	-170.5	-75.1	-173.7	-21.9	0	0	116.3	P222 Q226	P222-Q224 PolarHBondContact O-N 3.26Å; Q224-Q226 PolarHBondContact O-N 3.34Å
225	E	39.3	Very low	54.4	Low	45 Å²	45	87 Å²	87	21%	0.21	44%	0.436	C	S	.	.			trans	-79.1	40.7	176	-70.1	-158.1	156.1	0	0	113.7	L388	E225-L388 HydrophobicContact CB-CD1 4.11Å
226	Q	47.5	Very low	56.9	Low	95 Å²	95	79.1 Å²	79.1	44%	0.444	40%	0.402	S	S	.	.	S	Bend	trans	-65.1	140.4	154.4	-72.2	-177	-5.5	0	0	107.9	Q224 R228 N270	Q224-Q226 PolarHBondContact O-N 3.34Å; Q226-R228 HydrophobicContact CB-CG 4.11Å; Q226-R228 WeakPolarHBondContact O-CG 3.13Å; Q226-R228 PolarHBondContact O-N 3.03Å; Q226-N270 PolarHBondContact OE1-ND2 2.92Å
227	A	67.9	Low	59.6	Low	66 Å²	66	71.1 Å²	71.1	55%	0.545	36%	0.364	S	S	.	.			trans	-71.7	81.1	171.7	0	0	0	0	0	109.5	L388	A227-L388 HydrophobicContact CB-CB 4.48Å; A227-L388 WeakPolarHBondContact CB-O 3.14Å
228	R	83.6	Confident	62.3	Low	17 Å²	17	66 Å²	66	6%	0.064	33%	0.333	C	S	.	.			trans	-77.9	153.2	-174.5	-56.5	165.9	-50.3	156.6	2.3	110.1	Q226 N270 K384 D389 F390	Q226-R228 HydrophobicContact CB-CG 4.11Å; Q226-R228 WeakPolarHBondContact O-CG 3.13Å; Q226-R228 PolarHBondContact O-N 3.03Å; R228-N270 VanDerWaalsContact CD-O 3.31Å; R228-N270 WeakPolarHBondContact CD-O 3.4Å; R228-N270 HydrophobicContact CG-CB 4.12Å; R228-K384 PolarHBondContact NH2-O 2.9Å; R228-D389 VanDerWaalsContact CB-OD1 3.32Å; R228-D389 WeakPolarHBondContact CB-OD1 3.4Å; R228-D389 IonicContact CZ-OD2 3.06Å; R228-D389 PolarHBondContact N-OD1 3.3Å; R228-D389 IonicContact NE-OD1 3.95Å; R228-D389 PolarHBondContact NE-OD1 3.49Å; R228-D389 IonicContact NE-OD2 3.97Å; R228-D389 PolarHBondContact NE-OD2 3.27Å; R228-D389 IonicContact NH2-OD1 3.95Å; R228-D389 IonicContact NH2-OD2 2.9Å; R228-D389 PolarHBondContact NH2-OD2 3.43Å; R228-D389 WeakPolarHBondContact O-CA 3.33Å; R228-F390 PolarHBondContact O-N 3.03Å
229	L	88.2	Confident	64.8	Low	15 Å²	15	62 Å²	62	8%	0.079	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.6	169.3	-177.9	60.9	0	0	0	109	A264 L265 N271 V272 F390 W392 L733	L229-A264 HydrophobicContact CD2-CB 3.82Å; L229-L265 HydrophobicContact CB-CD2 4.22Å; L229-L265 HydrophobicContact CD2-CD2 3.84Å; L229-L265 HydrophobicContact CD2-CG 4.39Å; L229-L265 HydrophobicContact CG-CD2 3.83Å; L229-N271 PolarHBondContact N-OD1 3.24Å; L229-N271 WeakPolarHBondContact O-CA 3.14Å; L229-V272 PolarHBondContact O-N 2.94Å; L229-F390 HydrophobicContact CD1-CD1 3.67Å; L229-F390 HydrophobicContact CD1-CE1 4.41Å; L229-W392 HydrophobicContact CD1-CB 3.97Å; L229-W392 HydrophobicContact CD1-CE3 4.16Å; L229-W392 HydrophobicContact CD2-CE3 4.1Å; L229-W392 HydrophobicContact CD2-CZ3 4.35Å; L229-L733 HydrophobicContact CD1-CD2 4.06Å; L229-L733 HydrophobicContact CD2-CD1 3.87Å
230	V	92.5	Very high	67.3	Low	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	95.2	177.1	-177.6	0	0	0	0	108.5	I232 V272 L274 C385 D389 F390 L391 W392	V230-I232 HydrophobicContact CG1-CG1 4.38Å; V230-V272 CarbonylContact C-O 3.52Å; V230-V272 WeakPolarHBondContact CA-O 3.04Å; V230-V272 HydrophobicContact CB-CB 4.37Å; V230-V272 HydrophobicContact CG1-CB 4.11Å; V230-V272 HydrophobicContact CG1-CG1 4.2Å; V230-V272 HydrophobicContact CG2-CB 4.08Å; V230-V272 HydrophobicContact CG2-CG2 4.32Å; V230-L274 HydrophobicContact CG1-CD1 3.44Å; V230-L274 VanDerWaalsContact CG1-CD1 3.44Å; V230-C385 HydrophobicContact CG2-CB 4.4Å; V230-D389 HydrophobicContact CG2-CB 3.95Å; V230-F390 PolarHBondContact N-O 2.9Å; V230-L391 HydrophobicContact CB-CD1 4.29Å; V230-L391 HydrophobicContact CB-CG 4.09Å; V230-L391 HydrophobicContact CG1-CG 4.26Å; V230-L391 HydrophobicContact CG2-CD1 4.43Å; V230-L391 CarbonylContact O-C 3.56Å; V230-L391 WeakPolarHBondContact O-CA 3.34Å; V230-W392 PolarHBondContact O-N 3.13Å
231	A	94.2	Very high	69.7	Low	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	139	176.2	0	0	0	0	0	111.1	L265 V272 W273 L274 W392	A231-L265 HydrophobicContact CB-CD1 3.63Å; A231-L265 HydrophobicContact CB-CD2 3.9Å; A231-L265 HydrophobicContact CB-CG 4.25Å; A231-V272 PolarHBondContact N-O 3.29Å; A231-W273 HydrophobicContact CB-CG 4.24Å; A231-W273 CarbonylContact O-C 3.6Å; A231-W273 WeakPolarHBondContact O-CA 3.29Å; A231-L274 PolarHBondContact O-N 2.6Å; A231-W392 CarbonylContact C-O 3.58Å; A231-W392 WeakPolarHBondContact CA-O 3.48Å
232	I	95.9	Very high	72	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	116.7	-178.2	-48.8	175.4	0	0	0	108.2	V230 L274 F377 A381 L391 W392 V393 H394 L398 V401	V230-I232 HydrophobicContact CG1-CG1 4.38Å; I232-L274 HydrophobicContact CG1-CB 4.45Å; I232-L274 HydrophobicContact CG1-CD1 4.32Å; I232-L274 HydrophobicContact CG2-CB 4.29Å; I232-F377 HydrophobicContact CG2-CB 4.4Å; I232-F377 HydrophobicContact CG2-CD1 3.52Å; I232-F377 HydrophobicContact CG2-CE1 4.22Å; I232-F377 HydrophobicContact CG2-CG 4.38Å; I232-A381 HydrophobicContact CD1-CB 3.5Å; I232-A381 HydrophobicContact CG1-CB 4.47Å; I232-L391 HydrophobicContact CD1-CB 4.44Å; I232-L391 HydrophobicContact CD1-CD2 4.26Å; I232-L391 HydrophobicContact CD1-CG 4.44Å; I232-W392 PolarHBondContact N-O 3.16Å; I232-V393 HydrophobicContact CB-CG2 4.22Å; I232-V393 HydrophobicContact CD1-CG2 3.94Å; I232-V393 HydrophobicContact CG1-CG2 4.46Å; I232-H394 PolarHBondContact O-N 2.8Å; I232-L398 HydrophobicContact CG2-CD1 3.84Å; I232-V401 HydrophobicContact CD1-CG1 4.29Å
233	S	94.5	Very high	74.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149	-179.2	59.1	0	0	0	0	114.1	A235 W273 L274 V275	S233-A235 VanDerWaalsContact C-N 3.35Å; S233-A235 PolarHBondContact OG-O 3.2Å; S233-W273 PolarHBondContact OG-NE1 3.16Å; S233-L274 PolarHBondContact N-O 3.18Å; S233-V275 WeakPolarHBondContact O-CA 3.38Å
234	N	90.9	Very high	76.2	Confident	10 Å²	10	52.6 Å²	52.6	5%	0.053	26%	0.263	C	S	.	.	S	Bend	trans	-66.9	-36.1	171.9	-176.9	68.1	0	0	0	112.9	C276 Y333 Y334 H397	N234-C276 VanDerWaalsContact O-O 3.09Å; N234-Y333 PolarHBondContact OD1-OH 3.22Å; N234-Y334 VanDerWaalsContact ND2-CE2 3.32Å; N234-Y334 WeakPolarHBondContact ND2-CE2 3.14Å; N234-H397 HydrophobicContact CB-CB 3.79Å
235	A	83.5	Confident	78	Confident	43 Å²	43	51.3 Å²	51.3	36%	0.355	27%	0.268	S	S	.	.	S	Bend	trans	-92.2	137.1	-179.3	0	0	0	0	0	111.2	S233 L257	S233-A235 VanDerWaalsContact C-N 3.35Å; S233-A235 PolarHBondContact OG-O 3.2Å; A235-L257 HydrophobicContact CB-CD2 4.03Å
236	P	81.3	Confident	79.4	Confident	33 Å²	33	50.6 Å²	50.6	21%	0.214	27%	0.274	C	S	.	.			trans	-81.6	156.8	178.1	32.3	-34.9	0	0	0	113.3	I238 V275 L277	P236-I238 HydrophobicContact CB-CG1 4.22Å; P236-I238 WeakPolarHBondContact CG-O 3.38Å; P236-I238 PolarHBondContact O-N 3.03Å; P236-I238 VanDerWaalsContact O-N 3.16Å; P236-V275 HydrophobicContact CB-CB 4.16Å; P236-V275 HydrophobicContact CB-CG2 3.95Å; P236-L277 HydrophobicContact CB-CD2 3.78Å; P236-L277 HydrophobicContact CG-CD2 4.01Å
237	P	80.9	Confident	80.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-66.7	-6.7	172.6	21.8	-30.1	0	0	0	114.9	Q252 G253 V258 W273 Y318 L320	P237-Q252 PolarHBondContact O-NE2 3.08Å; P237-G253 WeakPolarHBondContact O-CA 3.12Å; P237-G253 PolarHBondContact O-N 2.94Å; P237-V258 HydrophobicContact CB-CG1 4.32Å; P237-W273 HydrophobicContact CB-CE3 3.95Å; P237-W273 HydrophobicContact CB-CH2 3.64Å; P237-W273 HydrophobicContact CB-CZ2 4.34Å; P237-W273 HydrophobicContact CB-CZ3 3.46Å; P237-W273 VanDerWaalsContact CB-CZ3 3.46Å; P237-W273 HydrophobicContact CG-CD2 4.24Å; P237-W273 HydrophobicContact CG-CE3 3.86Å; P237-W273 HydrophobicContact CG-CH2 4.22Å; P237-W273 HydrophobicContact CG-CZ3 3.9Å; P237-Y318 WeakPolarHBondContact CB-OH 3.3Å; P237-Y318 WeakPolarHBondContact CG-OH 3.5Å; P237-L320 HydrophobicContact CG-CD1 3.81Å; P237-L320 HydrophobicContact CG-CD2 4.22Å
238	I	81.9	Confident	81	Confident	5 Å²	5	46 Å²	46	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	161	-164	54.8	168.8	0	0	0	111.1	P236 I240 I250 E251 L310 F313 L320	P236-I238 HydrophobicContact CB-CG1 4.22Å; P236-I238 WeakPolarHBondContact CG-O 3.38Å; P236-I238 PolarHBondContact O-N 3.03Å; P236-I238 VanDerWaalsContact O-N 3.16Å; I238-I240 HydrophobicContact CD1-CD1 3.98Å; I238-I240 HydrophobicContact CD1-CG1 3.93Å; I238-I240 HydrophobicContact CG1-CG1 4.45Å; I238-I250 HydrophobicContact CB-CG2 4.02Å; I238-I250 HydrophobicContact CD1-CG2 4.09Å; I238-I250 HydrophobicContact CG2-CG2 3.92Å; I238-E251 CarbonylContact C-O 3.57Å; I238-E251 VanDerWaalsContact CA-O 3.29Å; I238-E251 WeakPolarHBondContact CA-O 3.32Å; I238-L310 HydrophobicContact CD1-CD2 2.94Å; I238-L310 HydrophobicContact CD1-CG 4.41Å; I238-L310 HydrophobicContact CG1-CD2 4.43Å; I238-F313 HydrophobicContact CG2-CD1 4.1Å; I238-F313 HydrophobicContact CG2-CE1 3.77Å; I238-L320 HydrophobicContact CD1-CD2 4Å
239	K	78.8	Confident	80.8	Confident	105 Å²	105	50.8 Å²	50.8	46%	0.457	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.6	166.2	-67.8	176.6	-178.5	171.4	0	108	E251	K239-E251 PolarHBondContact N-O 3.11Å; K239-E251 PolarHBondContact O-N 3.26Å
240	I	76.9	Confident	80.3	Confident	24 Å²	24	51.2 Å²	51.2	12%	0.123	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.8	176.3	-52.1	-173.2	0	0	0	107.8	I238 V248 L277 I281 V306 L310	I238-I240 HydrophobicContact CD1-CD1 3.98Å; I238-I240 HydrophobicContact CD1-CG1 3.93Å; I238-I240 HydrophobicContact CG1-CG1 4.45Å; I240-V248 HydrophobicContact CG2-CG1 3.52Å; I240-L277 HydrophobicContact CD1-CD1 3.62Å; I240-L277 HydrophobicContact CD1-CD2 3.86Å; I240-L277 HydrophobicContact CD1-CG 4.39Å; I240-L277 HydrophobicContact CG1-CD2 4.44Å; I240-I281 HydrophobicContact CB-CD1 3.78Å; I240-I281 HydrophobicContact CD1-CD1 4.24Å; I240-I281 HydrophobicContact CG1-CD1 4.27Å; I240-I281 HydrophobicContact CG2-CD1 4.47Å; I240-V306 HydrophobicContact CD1-CG1 4.02Å; I240-L310 HydrophobicContact CD1-CD1 4.45Å; I240-L310 HydrophobicContact CD1-CD2 4.02Å
241	R	74.8	Confident	79.6	Confident	149 Å²	149	54 Å²	54	56%	0.562	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.5	169.3	-63.3	-175.2	-170.8	-176.4	7	108.5	K249 E251	R241-K249 PolarHBondContact N-O 3.23Å; R241-K249 PolarHBondContact O-N 2.99Å; R241-E251 IonicContact NH2-OE2 3.58Å
242	M	71.5	Confident	78.7	Confident	83 Å²	83	57.9 Å²	57.9	41%	0.409	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125	167.7	-67	-178.4	-77.2	0	0	107.1	S247 V248	M242-S247 WeakPolarHBondContact CA-O 3.23Å; M242-V248 HydrophobicContact CG-CG2 4.47Å
243	D	73	Confident	77.4	Confident	75 Å²	75	58.4 Å²	58.4	40%	0.401	31%	0.308	S	S	.	.			trans	-78.8	173.5	171.3	67.4	24	0	0	0	111.3	S245 G246 S247	D243-S245 PolarHBondContact O-N 3.41Å; D243-S245 WeakPolarHBondContact OD1-CA 3.34Å; D243-S245 WeakPolarHBondContact OD1-CB 3.24Å; D243-S245 PolarHBondContact OD1-N 2.98Å; D243-S245 PolarHBondContact OD1-OG 2.97Å; D243-S245 PolarHBondContact OD2-OG 3.31Å; D243-G246 PolarHBondContact O-N 3.45Å; D243-G246 PolarHBondContact OD1-N 2.94Å; D243-S247 VanDerWaalsContact CG-OG 3.25Å; D243-S247 PolarHBondContact N-O 3.18Å; D243-S247 VanDerWaalsContact N-O 3.08Å; D243-S247 PolarHBondContact OD1-N 3.38Å; D243-S247 VanDerWaalsContact OD2-CB 3.28Å; D243-S247 WeakPolarHBondContact OD2-CB 3.41Å; D243-S247 PolarHBondContact OD2-OG 3.43Å
244	E	71.8	Confident	75.9	Confident	210 Å²	210	61.6 Å²	61.6	98%	0.981	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.9	178.8	-64.3	-178.2	177.1	0	0	113	G246	E244-G246 VanDerWaalsContact C-N 3.27Å; E244-G246 PolarHBondContact O-N 3.46Å
245	S	70.1	Confident	74.9	Confident	102 Å²	102	63 Å²	63	71%	0.713	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-8	175.6	78.2	0	0	0	0	113.4	D243	D243-S245 PolarHBondContact O-N 3.41Å; D243-S245 WeakPolarHBondContact OD1-CA 3.34Å; D243-S245 WeakPolarHBondContact OD1-CB 3.24Å; D243-S245 PolarHBondContact OD1-N 2.98Å; D243-S245 PolarHBondContact OD1-OG 2.97Å; D243-S245 PolarHBondContact OD2-OG 3.31Å
246	G	67.9	Low	74.4	Confident	31 Å²	31	62.7 Å²	62.7	32%	0.32	35%	0.347	S	S	.	.			trans	85	5.8	-175.2	0	0	0	0	0	114.2	D243 E244	D243-G246 PolarHBondContact O-N 3.45Å; D243-G246 PolarHBondContact OD1-N 2.94Å; E244-G246 VanDerWaalsContact C-N 3.27Å; E244-G246 PolarHBondContact O-N 3.46Å
247	S	72.4	Confident	74.3	Confident	56 Å²	56	62.4 Å²	62.4	39%	0.392	34%	0.344	S	S	.	.			trans	-74.2	139.9	176.4	106.4	0	0	0	0	110.9	M242 D243	M242-S247 WeakPolarHBondContact CA-O 3.23Å; D243-S247 VanDerWaalsContact CG-OG 3.25Å; D243-S247 PolarHBondContact N-O 3.18Å; D243-S247 VanDerWaalsContact N-O 3.08Å; D243-S247 PolarHBondContact OD1-N 3.38Å; D243-S247 VanDerWaalsContact OD2-CB 3.28Å; D243-S247 WeakPolarHBondContact OD2-CB 3.41Å; D243-S247 PolarHBondContact OD2-OG 3.43Å
248	V	75.9	Confident	74.4	Confident	8 Å²	8	62.9 Å²	62.9	5%	0.048	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.3	-174.9	-175.3	0	0	0	0	109.6	I240 M242 I250 L305 V306 R309	I240-V248 HydrophobicContact CG2-CG1 3.52Å; M242-V248 HydrophobicContact CG-CG2 4.47Å; V248-I250 HydrophobicContact CG1-CG1 4.17Å; V248-L305 HydrophobicContact CG2-CD2 4Å; V248-L305 HydrophobicContact CG2-CG 4.22Å; V248-V306 HydrophobicContact CG1-CG2 4.33Å; V248-V306 HydrophobicContact CG2-CG2 3.92Å; V248-R309 PolarHBondContact O-NH2 3.24Å
249	K	79.2	Confident	74.2	Confident	117 Å²	117	64.3 Å²	64.3	51%	0.509	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120	171.1	-165.9	-175.3	-175.6	-155.5	0	110	R241 E251	R241-K249 PolarHBondContact N-O 3.23Å; R241-K249 PolarHBondContact O-N 2.99Å; K249-E251 WeakPolarHBondContact CE-OE1 3.35Å; K249-E251 IonicContact NZ-OE1 3.42Å; K249-E251 PolarHBondContact NZ-OE1 3.41Å
250	I	79.2	Confident	74.3	Confident	25 Å²	25	59.4 Å²	59.4	13%	0.128	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.8	176.8	-60	170.6	0	0	0	108.1	I238 V248 R309 L310 F313	I238-I250 HydrophobicContact CB-CG2 4.02Å; I238-I250 HydrophobicContact CD1-CG2 4.09Å; I238-I250 HydrophobicContact CG2-CG2 3.92Å; V248-I250 HydrophobicContact CG1-CG1 4.17Å; I250-R309 HydrophobicContact CD1-CB 3.7Å; I250-L310 HydrophobicContact CD1-CD2 3.91Å; I250-L310 HydrophobicContact CD1-CG 4.36Å; I250-F313 HydrophobicContact CD1-CB 4.49Å; I250-F313 HydrophobicContact CG2-CD1 4.18Å; I250-F313 HydrophobicContact CG2-CD2 4.05Å; I250-F313 HydrophobicContact CG2-CE1 4.39Å; I250-F313 HydrophobicContact CG2-CE2 4.25Å; I250-F313 HydrophobicContact CG2-CG 4.02Å; I250-F313 HydrophobicContact CG2-CZ 4.42Å
251	E	77.2	Confident	74.6	Confident	57 Å²	57	58.2 Å²	58.2	27%	0.266	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.2	174.1	-65.9	178.6	173.3	0	0	109.4	I238 K239 R241 K249 G253	I238-E251 CarbonylContact C-O 3.57Å; I238-E251 VanDerWaalsContact CA-O 3.29Å; I238-E251 WeakPolarHBondContact CA-O 3.32Å; K239-E251 PolarHBondContact N-O 3.11Å; K239-E251 PolarHBondContact O-N 3.26Å; R241-E251 IonicContact NH2-OE2 3.58Å; K249-E251 WeakPolarHBondContact CE-OE1 3.35Å; K249-E251 IonicContact NZ-OE1 3.42Å; K249-E251 PolarHBondContact NZ-OE1 3.41Å; E251-G253 PolarHBondContact O-N 3.47Å
252	Q	74.6	Confident	75.1	Confident	83 Å²	83	52.5 Å²	52.5	39%	0.388	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	133.6	175	-167.7	70	23.9	0	0	110.4	P237 E262	P237-Q252 PolarHBondContact O-NE2 3.08Å; Q252-E262 PolarHBondContact NE2-OE2 3.28Å
253	G	68.8	Low	75.5	Confident	11 Å²	11	49.4 Å²	49.4	11%	0.113	29%	0.294	C	S	.	.			trans	-68	140.9	172.8	0	0	0	0	0	110.7	P237 E251	P237-G253 WeakPolarHBondContact O-CA 3.12Å; P237-G253 PolarHBondContact O-N 2.94Å; E251-G253 PolarHBondContact O-N 3.47Å
254	S	64	Low	75.9	Confident	67 Å²	67	46.2 Å²	46.2	47%	0.469	28%	0.278	S	S	.	.			trans	-109.7	14.6	-177.9	66.7	0	0	0	0	112.9
255	G	69.4	Low	76.6	Confident	38 Å²	38	36.2 Å²	36.2	39%	0.392	23%	0.231	S	C	.	.	S	Bend	trans	-77.5	154.3	-176	0	0	0	0	0	112.3	L257 V258 T259	G255-L257 PolarHBondContact O-N 2.81Å; G255-V258 WeakPolarHBondContact O-CB 3.13Å; G255-V258 PolarHBondContact O-N 3.09Å; G255-T259 PolarHBondContact O-N 2.61Å
256	G	72.8	Confident	77.2	Confident	37 Å²	37	36.9 Å²	36.9	38%	0.381	22%	0.218	S	C	.	.	H	α-helix	trans	-51.9	-41.3	179	0	0	0	0	0	112.8	V258 T259 C260	G256-V258 VanDerWaalsContact C-N 3.29Å; G256-V258 PolarHBondContact O-N 3.36Å; G256-T259 VanDerWaalsContact O-CB 3.29Å; G256-T259 WeakPolarHBondContact O-CB 3.27Å; G256-T259 PolarHBondContact O-N 2.86Å; G256-T259 VanDerWaalsContact O-N 3.15Å; G256-C260 PolarHBondContact O-N 3.13Å; G256-C260 PolarHBondContact O-SG 2.97Å
257	L	80.3	Confident	77.6	Confident	27 Å²	27	40.3 Å²	40.3	14%	0.141	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-33.7	177.4	-169.1	64.5	0	0	0	113.7	A235 G255 C260 C261 H394 H419	A235-L257 HydrophobicContact CB-CD2 4.03Å; G255-L257 PolarHBondContact O-N 2.81Å; L257-C260 WeakPolarHBondContact O-CB 3.5Å; L257-C260 PolarHBondContact O-N 3.28Å; L257-C261 PolarHBondContact O-N 2.95Å; L257-C261 PolarHBondContact O-SG 3Å; L257-C261 VanDerWaalsContact O-SG 3.41Å; L257-H394 HydrophobicContact CD1-CB 3.78Å; L257-H394 HydrophobicContact CD2-CB 4.44Å; L257-H419 WeakPolarHBondContact CD1-NE2 3.38Å
258	V	82.9	Confident	77.9	Confident	11 Å²	11	39.7 Å²	39.7	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-67.1	-44.6	175.9	-171.7	0	0	0	0	109.9	P237 G255 G256 C260 C261 E262 W273	P237-V258 HydrophobicContact CB-CG1 4.32Å; G255-V258 WeakPolarHBondContact O-CB 3.13Å; G255-V258 PolarHBondContact O-N 3.09Å; G256-V258 VanDerWaalsContact C-N 3.29Å; G256-V258 PolarHBondContact O-N 3.36Å; V258-C260 PolarHBondContact O-N 3.02Å; V258-C261 PolarHBondContact O-N 2.74Å; V258-E262 HydrophobicContact CG1-CB 4.16Å; V258-E262 WeakPolarHBondContact O-CB 3.01Å; V258-E262 PolarHBondContact O-N 3.27Å; V258-W273 HydrophobicContact CG1-CH2 4.49Å
259	T	76.8	Confident	78.3	Confident	35 Å²	35	42.3 Å²	42.3	22%	0.215	24%	0.239	C	C	.	.	H	α-helix	trans	-55.4	-34.5	172.3	-50.1	0	0	0	0	111.5	G255 G256 P263 I725	G255-T259 PolarHBondContact O-N 2.61Å; G256-T259 VanDerWaalsContact O-CB 3.29Å; G256-T259 WeakPolarHBondContact O-CB 3.27Å; G256-T259 PolarHBondContact O-N 2.86Å; G256-T259 VanDerWaalsContact O-N 3.15Å; T259-P263 WeakPolarHBondContact O-CD 3.38Å; T259-P263 WeakPolarHBondContact O-CG 3.4Å; T259-I725 WeakPolarHBondContact O-CG1 3.47Å
260	C	80.2	Confident	78.5	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-72.9	-57	178.1	-52.1	0	0	0	0	113.8	G256 L257 V258 H419 V498 W728	G256-C260 PolarHBondContact O-N 3.13Å; G256-C260 PolarHBondContact O-SG 2.97Å; L257-C260 WeakPolarHBondContact O-CB 3.5Å; L257-C260 PolarHBondContact O-N 3.28Å; V258-C260 PolarHBondContact O-N 3.02Å; C260-H419 VanDerWaalsContact SG-CE1 3.57Å; C260-V498 WeakPolarHBondContact SG-CG2 3.46Å; C260-W728 HydrophobicContact CB-CH2 3.68Å; C260-W728 HydrophobicContact CB-CZ3 3.81Å; C260-W728 WeakPolarHBondContact O-CZ3 3.24Å
261	C	84.3	Confident	79	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-85.5	-35.1	-165.9	-57.5	0	0	0	0	112.2	L257 V258 A264 L265 W273 H394	L257-C261 PolarHBondContact O-N 2.95Å; L257-C261 PolarHBondContact O-SG 3Å; L257-C261 VanDerWaalsContact O-SG 3.41Å; V258-C261 PolarHBondContact O-N 2.74Å; C261-A264 WeakPolarHBondContact O-CB 3.06Å; C261-A264 PolarHBondContact O-N 2.84Å; C261-L265 HydrophobicContact CB-CD1 4.05Å; C261-L265 WeakPolarHBondContact O-CG 3.29Å; C261-L265 PolarHBondContact O-N 3.29Å; C261-L265 VanDerWaalsContact O-N 3.12Å; C261-W273 HydrophobicContact CB-CH2 3.57Å; C261-W273 HydrophobicContact CB-CZ2 3.61Å; C261-W273 HydrophobicContact CB-CZ3 4.06Å; C261-H394 VanDerWaalsContact SG-CD2 3.56Å; C261-H394 PolarHBondContact SG-NE2 3.33Å
262	E	85.2	Confident	79.7	Confident	29 Å²	29	36.3 Å²	36.3	14%	0.136	21%	0.214	C	C	.	.	H	α-helix	trans	-56.4	-48.3	-175.3	-174.6	75.8	-161.6	0	0	112.2	Q252 V258 A264 L265 R266 W273 Y318	Q252-E262 PolarHBondContact NE2-OE2 3.28Å; V258-E262 HydrophobicContact CG1-CB 4.16Å; V258-E262 WeakPolarHBondContact O-CB 3.01Å; V258-E262 PolarHBondContact O-N 3.27Å; E262-A264 PolarHBondContact O-N 3.4Å; E262-L265 PolarHBondContact O-N 3.24Å; E262-R266 WeakPolarHBondContact O-CB 3.23Å; E262-R266 VanDerWaalsContact O-CG 3.31Å; E262-R266 WeakPolarHBondContact O-CG 3.29Å; E262-R266 PolarHBondContact O-N 3.01Å; E262-W273 HydrophobicContact CB-CZ3 4.37Å; E262-W273 WeakPolarHBondContact OE2-CZ3 3.3Å; E262-Y318 WeakPolarHBondContact OE1-CE1 3.37Å; E262-Y318 WeakPolarHBondContact OE2-CE1 3.34Å; E262-Y318 PolarHBondContact OE2-OH 2.87Å
263	P	80.7	Confident	80.6	Confident	17 Å²	17	32.3 Å²	32.3	11%	0.11	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-27.9	178.2	-21.8	35.4	0	0	0	113.2	T259 I725 R729	T259-P263 WeakPolarHBondContact O-CD 3.38Å; T259-P263 WeakPolarHBondContact O-CG 3.4Å; P263-I725 HydrophobicContact CG-CG1 4.4Å; P263-I725 HydrophobicContact CG-CG2 4.38Å; P263-R729 PolarHBondContact O-NH1 2.99Å
264	A	80.9	Confident	81.7	Confident	8 Å²	8	31.8 Å²	31.8	7%	0.066	19%	0.19	C	C	.	.	H	α-helix	trans	-79.9	-26.7	179.7	0	0	0	0	0	113.9	L229 C261 E262 W392 R729 L733	L229-A264 HydrophobicContact CD2-CB 3.82Å; C261-A264 WeakPolarHBondContact O-CB 3.06Å; C261-A264 PolarHBondContact O-N 2.84Å; E262-A264 PolarHBondContact O-N 3.4Å; A264-W392 HydrophobicContact CB-CH2 4.48Å; A264-W392 HydrophobicContact CB-CZ3 3.78Å; A264-R729 VanDerWaalsContact CA-CD 3.41Å; A264-R729 HydrophobicContact CB-CG 3.92Å; A264-L733 HydrophobicContact CB-CD1 4.06Å
265	L	86.5	Confident	83	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-94.7	-38.7	-174	-65.5	162.6	0	0	0	112.1	L229 A231 C261 E262 D267 N268 N271 W273 Y318	L229-L265 HydrophobicContact CB-CD2 4.22Å; L229-L265 HydrophobicContact CD2-CD2 3.84Å; L229-L265 HydrophobicContact CD2-CG 4.39Å; L229-L265 HydrophobicContact CG-CD2 3.83Å; A231-L265 HydrophobicContact CB-CD1 3.63Å; A231-L265 HydrophobicContact CB-CD2 3.9Å; A231-L265 HydrophobicContact CB-CG 4.25Å; C261-L265 HydrophobicContact CB-CD1 4.05Å; C261-L265 WeakPolarHBondContact O-CG 3.29Å; C261-L265 PolarHBondContact O-N 3.29Å; C261-L265 VanDerWaalsContact O-N 3.12Å; E262-L265 PolarHBondContact O-N 3.24Å; L265-D267 PolarHBondContact O-N 3.25Å; L265-N268 PolarHBondContact O-N 2.71Å; L265-N271 HydrophobicContact CB-CB 4.48Å; L265-N271 HydrophobicContact CD2-CB 3.9Å; L265-N271 PolarHBondContact O-ND2 3.18Å; L265-W273 HydrophobicContact CD1-CB 4.01Å; L265-W273 HydrophobicContact CD1-CD2 3.49Å; L265-W273 VanDerWaalsContact CD1-CD2 3.49Å; L265-W273 HydrophobicContact CD1-CE3 3.29Å; L265-W273 HydrophobicContact CD1-CG 3.8Å; L265-W273 HydrophobicContact CD1-CZ3 3.92Å; L265-Y318 HydrophobicContact CB-CD1 3.67Å; L265-Y318 HydrophobicContact CB-CE1 4.29Å; L265-Y318 HydrophobicContact CB-CG 4.06Å
266	R	83.2	Confident	83.9	Confident	116 Å²	116	27 Å²	27	44%	0.438	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22	-169.6	64.7	174.1	-87.5	163.2	-1.6	117	E262 N268 H317	E262-R266 WeakPolarHBondContact O-CB 3.23Å; E262-R266 VanDerWaalsContact O-CG 3.31Å; E262-R266 WeakPolarHBondContact O-CG 3.29Å; E262-R266 PolarHBondContact O-N 3.01Å; R266-N268 VanDerWaalsContact C-N 3.29Å; R266-H317 CarbonylContact C-O 3.25Å; R266-H317 WeakPolarHBondContact CA-O 3.4Å; R266-H317 HydrophobicContact CB-CB 4.32Å
267	D	75	Confident	84.3	Confident	104 Å²	104	26.4 Å²	26.4	56%	0.556	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.7	-172.6	-64	-25.3	0	0	0	112.3	L265 R729	L265-D267 PolarHBondContact O-N 3.25Å; D267-R729 IonicContact OD2-CZ 3.72Å; D267-R729 IonicContact OD2-NH1 3.32Å; D267-R729 PolarHBondContact OD2-NH1 3.32Å; D267-R729 IonicContact OD2-NH2 3.56Å
268	N	79.7	Confident	84	Confident	43 Å²	43	25.7 Å²	25.7	23%	0.23	14%	0.138	C	C	.	.			trans	-137.8	113	177.8	-176.9	-10	0	0	0	110.7	L265 R266 N270 N271 H317	L265-N268 PolarHBondContact O-N 2.71Å; R266-N268 VanDerWaalsContact C-N 3.29Å; N268-N270 PolarHBondContact O-N 2.97Å; N268-N270 VanDerWaalsContact OD1-CB 3.28Å; N268-N270 WeakPolarHBondContact OD1-CB 3.34Å; N268-N270 PolarHBondContact OD1-N 3.16Å; N268-N271 VanDerWaalsContact O-CB 3.23Å; N268-N271 WeakPolarHBondContact O-CB 3.36Å; N268-N271 PolarHBondContact O-N 3.32Å; N268-H317 CarbonylContact C-O 3.57Å; N268-H317 VanDerWaalsContact C-O 3.3Å; N268-H317 VanDerWaalsContact O-O 3.05Å
269	P	83.2	Confident	83.2	Confident	62 Å²	62	27.1 Å²	27.1	40%	0.403	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.7	-179.6	27.2	-35.5	0	0	0	113.6	Q319	P269-Q319 WeakPolarHBondContact O-CG 3.32Å
270	N	84.2	Confident	82.5	Confident	61 Å²	61	30.4 Å²	30.4	33%	0.326	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.9	173.3	-63.9	-34.9	0	0	0	113.3	Q226 R228 N268	Q226-N270 PolarHBondContact OE1-ND2 2.92Å; R228-N270 VanDerWaalsContact CD-O 3.31Å; R228-N270 WeakPolarHBondContact CD-O 3.4Å; R228-N270 HydrophobicContact CG-CB 4.12Å; N268-N270 PolarHBondContact O-N 2.97Å; N268-N270 VanDerWaalsContact OD1-CB 3.28Å; N268-N270 WeakPolarHBondContact OD1-CB 3.34Å; N268-N270 PolarHBondContact OD1-N 3.16Å
271	N	90.2	Very high	81.9	Confident	12 Å²	12	31.7 Å²	31.7	6%	0.064	18%	0.18	C	C	.	.			trans	-60.1	155.6	173.4	-74.2	-20.3	0	0	0	110.5	L229 L265 N268 Y318 Q319	L229-N271 PolarHBondContact N-OD1 3.24Å; L229-N271 WeakPolarHBondContact O-CA 3.14Å; L265-N271 HydrophobicContact CB-CB 4.48Å; L265-N271 HydrophobicContact CD2-CB 3.9Å; L265-N271 PolarHBondContact O-ND2 3.18Å; N268-N271 VanDerWaalsContact O-CB 3.23Å; N268-N271 WeakPolarHBondContact O-CB 3.36Å; N268-N271 PolarHBondContact O-N 3.32Å; N271-Y318 WeakPolarHBondContact O-CB 3.39Å; N271-Q319 PolarHBondContact O-N 2.97Å
272	V	90.8	Very high	80.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.9	-171.6	-175.7	0	0	0	0	109	L229 V230 A231 L274 Q319 Y321	L229-V272 PolarHBondContact O-N 2.94Å; V230-V272 CarbonylContact C-O 3.52Å; V230-V272 WeakPolarHBondContact CA-O 3.04Å; V230-V272 HydrophobicContact CB-CB 4.37Å; V230-V272 HydrophobicContact CG1-CB 4.11Å; V230-V272 HydrophobicContact CG1-CG1 4.2Å; V230-V272 HydrophobicContact CG2-CB 4.08Å; V230-V272 HydrophobicContact CG2-CG2 4.32Å; A231-V272 PolarHBondContact N-O 3.29Å; V272-L274 HydrophobicContact CG1-CD1 3.59Å; V272-L274 HydrophobicContact CG1-CG 4.47Å; V272-Q319 CarbonylContact C-O 3.48Å; V272-Q319 WeakPolarHBondContact CA-O 3.43Å; V272-Y321 HydrophobicContact CG1-CD2 3.52Å; V272-Y321 HydrophobicContact CG1-CE2 3.82Å
273	W	92.7	Very high	79.8	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.6	169.8	-159.4	-13.9	0	0	0	110.4	A231 S233 P237 V258 C261 E262 L265 V275 Y318 Q319 L320 Y321	A231-W273 HydrophobicContact CB-CG 4.24Å; A231-W273 CarbonylContact O-C 3.6Å; A231-W273 WeakPolarHBondContact O-CA 3.29Å; S233-W273 PolarHBondContact OG-NE1 3.16Å; P237-W273 HydrophobicContact CB-CE3 3.95Å; P237-W273 HydrophobicContact CB-CH2 3.64Å; P237-W273 HydrophobicContact CB-CZ2 4.34Å; P237-W273 HydrophobicContact CB-CZ3 3.46Å; P237-W273 VanDerWaalsContact CB-CZ3 3.46Å; P237-W273 HydrophobicContact CG-CD2 4.24Å; P237-W273 HydrophobicContact CG-CE3 3.86Å; P237-W273 HydrophobicContact CG-CH2 4.22Å; P237-W273 HydrophobicContact CG-CZ3 3.9Å; V258-W273 HydrophobicContact CG1-CH2 4.49Å; C261-W273 HydrophobicContact CB-CH2 3.57Å; C261-W273 HydrophobicContact CB-CZ2 3.61Å; C261-W273 HydrophobicContact CB-CZ3 4.06Å; E262-W273 HydrophobicContact CB-CZ3 4.37Å; E262-W273 WeakPolarHBondContact OE2-CZ3 3.3Å; L265-W273 HydrophobicContact CD1-CB 4.01Å; L265-W273 HydrophobicContact CD1-CD2 3.49Å; L265-W273 VanDerWaalsContact CD1-CD2 3.49Å; L265-W273 HydrophobicContact CD1-CE3 3.29Å; L265-W273 HydrophobicContact CD1-CG 3.8Å; L265-W273 HydrophobicContact CD1-CZ3 3.92Å; W273-V275 HydrophobicContact CD2-CG1 4.34Å; W273-V275 HydrophobicContact CG-CG1 3.96Å; W273-Y318 HydrophobicContact CB-CD2 4.04Å; W273-Y318 HydrophobicContact CB-CE2 4.15Å; W273-Y318 HydrophobicContact CE3-CD2 4.47Å; W273-Y318 HydrophobicContact CE3-CE1 4.2Å; W273-Y318 AromaticContact CE3-CE2 3.77Å; W273-Y318 HydrophobicContact CE3-CE2 3.77Å; W273-Y318 AromaticContact CE3-CZ 3.61Å; W273-Q319 PolarHBondContact N-O 3.32Å; W273-L320 HydrophobicContact CB-CD1 4.09Å; W273-L320 HydrophobicContact CG-CD1 4.41Å; W273-Y321 PolarHBondContact O-N 2.85Å
274	L	93	Very high	79	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.7	173.8	-71.1	94.3	0	0	0	111	V230 A231 I232 S233 V272 Y321 V323 D380 A381	V230-L274 HydrophobicContact CG1-CD1 3.44Å; V230-L274 VanDerWaalsContact CG1-CD1 3.44Å; A231-L274 PolarHBondContact O-N 2.6Å; I232-L274 HydrophobicContact CG1-CB 4.45Å; I232-L274 HydrophobicContact CG1-CD1 4.32Å; I232-L274 HydrophobicContact CG2-CB 4.29Å; S233-L274 PolarHBondContact N-O 3.18Å; V272-L274 HydrophobicContact CG1-CD1 3.59Å; V272-L274 HydrophobicContact CG1-CG 4.47Å; L274-Y321 WeakPolarHBondContact CA-O 3.36Å; L274-V323 HydrophobicContact CB-CG2 4.23Å; L274-V323 HydrophobicContact CD2-CG2 4.21Å; L274-D380 HydrophobicContact CD2-CB 3.78Å; L274-A381 HydrophobicContact CD2-CB 4.15Å
275	V	91.7	Very high	78.4	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	156.2	-175.3	-55.5	0	0	0	0	113.6	S233 P236 W273 L320 Y321 L322 V323	S233-V275 WeakPolarHBondContact O-CA 3.38Å; P236-V275 HydrophobicContact CB-CB 4.16Å; P236-V275 HydrophobicContact CB-CG2 3.95Å; W273-V275 HydrophobicContact CD2-CG1 4.34Å; W273-V275 HydrophobicContact CG-CG1 3.96Å; V275-L320 HydrophobicContact CG1-CD1 4.14Å; V275-L320 HydrophobicContact CG2-CD1 3.71Å; V275-L320 HydrophobicContact CG2-CG 4.47Å; V275-Y321 PolarHBondContact N-O 3.39Å; V275-L322 HydrophobicContact CG2-CD2 3.85Å; V275-L322 CarbonylContact O-C 3.49Å; V275-L322 WeakPolarHBondContact O-CA 3.47Å; V275-V323 PolarHBondContact O-N 3Å
276	C	88.8	Confident	77.5	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.034	23%	0.229	C	C	.	.			trans	-106.2	131.4	166.8	-174.6	0	0	0	0	109.9	N234 G278 F377	N234-C276 VanDerWaalsContact O-O 3.09Å; C276-G278 VanDerWaalsContact C-N 3.29Å; C276-F377 HydrophobicContact CB-CE2 4.18Å; C276-F377 HydrophobicContact CB-CZ 3.62Å
277	L	79.4	Confident	76.7	Confident	23 Å²	23	36.8 Å²	36.8	12%	0.12	23%	0.232	C	C	.	.			trans	-83.6	-5.5	178.4	-68	175.6	0	0	0	113.6	P236 I240 I281 V283 V306 L310 L322	P236-L277 HydrophobicContact CB-CD2 3.78Å; P236-L277 HydrophobicContact CG-CD2 4.01Å; I240-L277 HydrophobicContact CD1-CD1 3.62Å; I240-L277 HydrophobicContact CD1-CD2 3.86Å; I240-L277 HydrophobicContact CD1-CG 4.39Å; I240-L277 HydrophobicContact CG1-CD2 4.44Å; L277-I281 HydrophobicContact CB-CB 4.14Å; L277-I281 HydrophobicContact CB-CD1 3.83Å; L277-I281 HydrophobicContact CB-CG2 4.45Å; L277-I281 HydrophobicContact CD1-CB 4.4Å; L277-I281 HydrophobicContact CD1-CD1 4.38Å; L277-I281 HydrophobicContact CD1-CG2 3.82Å; L277-I281 HydrophobicContact CG-CD1 4.47Å; L277-V283 HydrophobicContact CD1-CG2 4.36Å; L277-V306 HydrophobicContact CD1-CG1 4.45Å; L277-L310 HydrophobicContact CD1-CD1 4.4Å; L277-L322 HydrophobicContact CD1-CD1 3.54Å; L277-L322 HydrophobicContact CD1-CD2 3.68Å; L277-L322 HydrophobicContact CD1-CG 4.23Å; L277-L322 HydrophobicContact CD2-CD2 4.25Å; L277-L322 HydrophobicContact CG-CD1 4.4Å; L277-L322 HydrophobicContact CG-CD2 3.72Å
278	G	74.3	Confident	76.3	Confident	13 Å²	13	32.2 Å²	32.2	13%	0.134	21%	0.209	C	C	.	.			trans	81.4	-179.8	-174.6	0	0	0	0	0	114.6	C276 S280 Y330	C276-G278 VanDerWaalsContact C-N 3.29Å; G278-S280 VanDerWaalsContact C-N 3.29Å; G278-S280 PolarHBondContact O-N 3.36Å; G278-Y330 VanDerWaalsContact CA-CE2 3.41Å
279	S	67	Low	76.2	Confident	40 Å²	40	30.9 Å²	30.9	28%	0.28	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.5	-167.8	52.6	0	0	0	0	115.7	D331	S279-D331 PolarHBondContact OG-OD1 3.3Å
280	S	62.4	Low	75.3	Confident	105 Å²	105	28.4 Å²	28.4	73%	0.734	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-11.9	-174.8	-52.4	0	0	0	0	114.4	G278	G278-S280 VanDerWaalsContact C-N 3.29Å; G278-S280 PolarHBondContact O-N 3.36Å
281	I	66.3	Low	73.9	Confident	27 Å²	27	31.2 Å²	31.2	14%	0.138	20%	0.202	C	C	.	.	S	Bend	trans	-113.8	123.6	-176.2	-64	157	0	0	0	108	I240 L277 V283 V306	I240-I281 HydrophobicContact CB-CD1 3.78Å; I240-I281 HydrophobicContact CD1-CD1 4.24Å; I240-I281 HydrophobicContact CG1-CD1 4.27Å; I240-I281 HydrophobicContact CG2-CD1 4.47Å; L277-I281 HydrophobicContact CB-CB 4.14Å; L277-I281 HydrophobicContact CB-CD1 3.83Å; L277-I281 HydrophobicContact CB-CG2 4.45Å; L277-I281 HydrophobicContact CD1-CB 4.4Å; L277-I281 HydrophobicContact CD1-CD1 4.38Å; L277-I281 HydrophobicContact CD1-CG2 3.82Å; L277-I281 HydrophobicContact CG-CD1 4.47Å; I281-V283 PolarHBondContact O-N 2.99Å; I281-V306 HydrophobicContact CG2-CG1 4.31Å
282	P	62.5	Low	71.5	Confident	34 Å²	34	34.2 Å²	34.2	22%	0.221	23%	0.228	C	C	.	.			trans	-68.3	128.6	-179.9	28.3	-33.4	0	0	0	109.8	K302 I303	P282-K302 HydrophobicContact CG-CB 4.41Å; P282-I303 HydrophobicContact CB-CG1 3.94Å
283	V	62.6	Low	69	Low	22 Å²	22	41.1 Å²	41.1	13%	0.133	26%	0.263	C	S	.	.			trans	-130.9	142.6	176.1	-174.6	0	0	0	0	107.8	L277 I281 T285 L322	L277-V283 HydrophobicContact CD1-CG2 4.36Å; I281-V283 PolarHBondContact O-N 2.99Å; V283-T285 PolarHBondContact O-N 3.14Å; V283-L322 HydrophobicContact CG1-CB 3.95Å; V283-L322 HydrophobicContact CG1-CD1 4.06Å; V283-L322 HydrophobicContact CG2-CD1 4.03Å
284	A	64.8	Low	66.5	Low	47 Å²	47	46.4 Å²	46.4	39%	0.388	30%	0.298	S	S	.	.			trans	-54.3	128.1	176	0	0	0	0	0	109.3	P286 I303 S324	A284-P286 WeakPolarHBondContact O-CD 3.33Å; A284-I303 HydrophobicContact CB-CG2 3.86Å; A284-I303 VanDerWaalsContact N-CG2 3.3Å; A284-S324 WeakPolarHBondContact O-CB 3.39Å; A284-S324 PolarHBondContact O-OG 3.38Å
285	T	67.5	Low	64.2	Low	64 Å²	64	49.5 Å²	49.5	39%	0.393	32%	0.317	S	S	.	.			trans	-94.1	114.1	177.6	-58	0	0	0	0	108.6	V283 R289 S324	V283-T285 PolarHBondContact O-N 3.14Å; T285-R289 HydrophobicContact CG2-CB 3.79Å; T285-R289 VanDerWaalsContact CG2-O 3.31Å; T285-R289 WeakPolarHBondContact CG2-O 3.26Å; T285-S324 WeakPolarHBondContact CA-OG 3.39Å; T285-S324 PolarHBondContact OG1-OG 3.49Å
286	P	68.9	Low	62	Low	33 Å²	33	57.7 Å²	57.7	21%	0.214	35%	0.353	C	S	.	.			trans	-59.8	149.6	176.7	-23.6	33.1	0	0	0	111.7	A284 G288 R289	A284-P286 WeakPolarHBondContact O-CD 3.33Å; P286-G288 PolarHBondContact O-N 3.04Å; P286-R289 PolarHBondContact O-N 3.35Å
287	P	66.2	Low	60.1	Low	77 Å²	77	64.3 Å²	64.3	50%	0.5	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	137.4	172.8	-24.7	33.4	0	0	0	111.8	A143	A143-P287 HydrophobicContact CB-CB 3.61Å
288	G	67.2	Low	58.7	Low	8 Å²	8	66.8 Å²	66.8	8%	0.082	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	7.4	-178.8	0	0	0	0	0	115.3	P286	P286-G288 PolarHBondContact O-N 3.04Å
289	R	76	Confident	57.9	Low	16 Å²	16	70.9 Å²	70.9	6%	0.06	43%	0.427	C	S	.	.	S	Bend	trans	-110.7	125.1	169.7	-55.7	-164.8	-173.3	169.2	2.5	110.5	T285 P286 S324 P326 Y376 D380	T285-R289 HydrophobicContact CG2-CB 3.79Å; T285-R289 VanDerWaalsContact CG2-O 3.31Å; T285-R289 WeakPolarHBondContact CG2-O 3.26Å; P286-R289 PolarHBondContact O-N 3.35Å; R289-S324 WeakPolarHBondContact CD-O 3.43Å; R289-S324 PolarHBondContact NH1-O 3.15Å; R289-P326 HydrophobicContact CB-CG 4.15Å; R289-Y376 HydrophobicContact CB-CE1 4.29Å; R289-Y376 HydrophobicContact CG-CD1 3.89Å; R289-Y376 HydrophobicContact CG-CE1 3.59Å; R289-Y376 HydrophobicContact CG-CG 4.48Å; R289-D380 IonicContact CZ-OD1 3.96Å; R289-D380 IonicContact CZ-OD2 2.74Å; R289-D380 IonicContact NH1-OD1 3.26Å; R289-D380 IonicContact NH1-OD2 2.72Å; R289-D380 PolarHBondContact NH1-OD2 2.74Å; R289-D380 IonicContact NH2-OD1 2.71Å; R289-D380 PolarHBondContact NH2-OD1 3.33Å; R289-D380 IonicContact NH2-OD2 3.47Å; R289-D380 PolarHBondContact NH2-OD2 2.64Å
290	G	65.7	Low	57.5	Low	9 Å²	9	71.9 Å²	71.9	9%	0.093	43%	0.431	C	S	.	.	S	Bend	trans	74	-164.9	-179.3	0	0	0	0	0	113.2
291	N	53.7	Low	57.5	Low	121 Å²	121	71 Å²	71	65%	0.647	43%	0.426	S	S	*	.	S	Bend	trans	-76.1	124.5	174.5	-64.5	-14.1	0	0	0	108.5	I293	N291-I293 PolarHBondContact O-N 3.41Å
292	A	39.5	Very low	57.5	Low	75 Å²	75	75.3 Å²	75.3	62%	0.62	44%	0.443	S	S	*	.			trans	-69.6	41.3	-168.2	0	0	0	0	0	115.9
293	I	38.9	Very low	57.7	Low	144 Å²	144	74.2 Å²	74.2	74%	0.738	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-91.2	120.9	177.3	-55.8	174.2	0	0	0	108.7	N291 T295	N291-I293 PolarHBondContact O-N 3.41Å; I293-T295 PolarHBondContact O-N 3.39Å
294	P	39.7	Very low	58.1	Low	111 Å²	111	76.2 Å²	76.2	72%	0.721	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-57.3	131.9	177	-22.6	31.9	0	0	0	112.2
295	T	44.7	Very low	58.5	Low	65 Å²	65	77.7 Å²	77.7	40%	0.399	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-58.9	135.3	173.8	35	0	0	0	0	111.2	I293	I293-T295 PolarHBondContact O-N 3.39Å
296	K	46.2	Very low	58.8	Low	173 Å²	173	74.8 Å²	74.8	75%	0.752	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-62.8	144.3	176.9	-68.7	179	176.8	179	0	110.7	A298 E299	K296-A298 PolarHBondContact O-N 3.35Å; K296-E299 PolarHBondContact O-N 2.96Å
297	D	48.7	Very low	59.2	Low	144 Å²	144	76.2 Å²	76.2	77%	0.77	43%	0.434	S	S	*	.	H	α-helix	trans	-48.8	-34.8	-174.5	-64	-41.5	0	0	0	115	E299 T300	D297-E299 VanDerWaalsContact C-N 3.32Å; D297-E299 PolarHBondContact O-N 2.05Å; D297-T300 WeakPolarHBondContact O-CB 3.4Å; D297-T300 PolarHBondContact O-N 3.36Å
298	A	49.2	Very low	59.7	Low	75 Å²	75	76.5 Å²	76.5	62%	0.62	43%	0.432	S	S	*	.	H	α-helix	trans	-67.5	-26.7	-179.7	0	0	0	0	0	114.2	K296	K296-A298 PolarHBondContact O-N 3.35Å
299	E	57.8	Low	60.2	Low	98 Å²	98	81.2 Å²	81.2	46%	0.458	45%	0.447	S	S	.	.	H	α-helix	trans	-77.6	-34.2	174.4	-73.6	-173.3	153.2	0	0	111.3	K296 D297 S301 K302 I303	K296-E299 PolarHBondContact O-N 2.96Å; D297-E299 VanDerWaalsContact C-N 3.32Å; D297-E299 PolarHBondContact O-N 2.05Å; E299-S301 VanDerWaalsContact C-N 3.34Å; E299-S301 PolarHBondContact O-N 3.4Å; E299-K302 PolarHBondContact O-N 2.89Å; E299-K302 VanDerWaalsContact O-N 3.11Å; E299-I303 HydrophobicContact CB-CD1 4.43Å; E299-I303 WeakPolarHBondContact O-CD1 3.48Å; E299-I303 VanDerWaalsContact O-CG1 3.27Å; E299-I303 WeakPolarHBondContact O-CG1 3.49Å; E299-I303 PolarHBondContact O-N 3.26Å
300	T	59.3	Low	60.4	Low	61 Å²	61	80.6 Å²	80.6	37%	0.374	45%	0.445	S	S	.	.	H	α-helix	trans	-57	-45.4	179.1	-48	0	0	0	0	111.6	D297 K302 I303 T304	D297-T300 WeakPolarHBondContact O-CB 3.4Å; D297-T300 PolarHBondContact O-N 3.36Å; T300-K302 VanDerWaalsContact C-N 3.32Å; T300-K302 PolarHBondContact O-N 3.21Å; T300-I303 PolarHBondContact O-N 3.08Å; T300-T304 PolarHBondContact O-N 3.41Å; T300-T304 PolarHBondContact O-OG1 3.03Å; T300-T304 VanDerWaalsContact O-OG1 3.08Å
301	S	61.3	Low	61	Low	88 Å²	88	85.7 Å²	85.7	62%	0.615	47%	0.465	S	S	*	.	H	α-helix	trans	-61.8	-37.8	177.7	-54.4	0	0	0	0	113	E299 L305	E299-S301 VanDerWaalsContact C-N 3.34Å; E299-S301 PolarHBondContact O-N 3.4Å; S301-L305 WeakPolarHBondContact O-CB 3.31Å; S301-L305 PolarHBondContact O-N 2.94Å; S301-L305 VanDerWaalsContact O-N 3.16Å
302	K	66.4	Low	62.1	Low	117 Å²	117	85.5 Å²	85.5	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-70.1	-39.5	177.2	-70.1	-176.9	178.9	-179.3	0	111.7	P282 E299 T300 L305 V306	P282-K302 HydrophobicContact CG-CB 4.41Å; E299-K302 PolarHBondContact O-N 2.89Å; E299-K302 VanDerWaalsContact O-N 3.11Å; T300-K302 VanDerWaalsContact C-N 3.32Å; T300-K302 PolarHBondContact O-N 3.21Å; K302-L305 PolarHBondContact O-N 2.64Å; K302-V306 WeakPolarHBondContact O-CG2 3.37Å; K302-V306 PolarHBondContact O-N 3.07Å; K302-V306 VanDerWaalsContact O-N 3.08Å
303	I	68.1	Low	63.9	Low	10 Å²	10	85.8 Å²	85.8	5%	0.051	45%	0.447	C	S	.	.	H	α-helix	trans	-61.3	-51.7	177.3	-69	161.9	0	0	0	110.3	P282 A284 E299 T300 L305 V306 E307	P282-I303 HydrophobicContact CB-CG1 3.94Å; A284-I303 HydrophobicContact CB-CG2 3.86Å; A284-I303 VanDerWaalsContact N-CG2 3.3Å; E299-I303 HydrophobicContact CB-CD1 4.43Å; E299-I303 WeakPolarHBondContact O-CD1 3.48Å; E299-I303 VanDerWaalsContact O-CG1 3.27Å; E299-I303 WeakPolarHBondContact O-CG1 3.49Å; E299-I303 PolarHBondContact O-N 3.26Å; T300-I303 PolarHBondContact O-N 3.08Å; I303-L305 VanDerWaalsContact C-N 3.3Å; I303-L305 PolarHBondContact O-N 3.15Å; I303-V306 PolarHBondContact O-N 3.11Å; I303-V306 VanDerWaalsContact O-N 3.15Å; I303-E307 PolarHBondContact O-N 2.93Å
304	T	70.3	Confident	65.9	Low	64 Å²	64	79.1 Å²	79.1	39%	0.393	41%	0.413	S	S	.	.	H	α-helix	trans	-59.8	-41.6	179.5	-51.2	0	0	0	0	111.4	T300 V306 E307 D308	T300-T304 PolarHBondContact O-N 3.41Å; T300-T304 PolarHBondContact O-OG1 3.03Å; T300-T304 VanDerWaalsContact O-OG1 3.08Å; T304-V306 VanDerWaalsContact C-N 3.34Å; T304-V306 PolarHBondContact O-N 3Å; T304-E307 PolarHBondContact O-N 3.05Å; T304-D308 WeakPolarHBondContact O-CB 3.32Å; T304-D308 PolarHBondContact O-N 2.93Å
305	L	73.8	Confident	67.6	Low	79 Å²	79	82.4 Å²	82.4	41%	0.414	41%	0.411	S	S	.	.	H	α-helix	trans	-59.8	-42.6	176.4	-178.9	66.6	0	0	0	112.4	V248 S301 K302 I303 R309	V248-L305 HydrophobicContact CG2-CD2 4Å; V248-L305 HydrophobicContact CG2-CG 4.22Å; S301-L305 WeakPolarHBondContact O-CB 3.31Å; S301-L305 PolarHBondContact O-N 2.94Å; S301-L305 VanDerWaalsContact O-N 3.16Å; K302-L305 PolarHBondContact O-N 2.64Å; I303-L305 VanDerWaalsContact C-N 3.3Å; I303-L305 PolarHBondContact O-N 3.15Å; L305-R309 HydrophobicContact CD1-CG 4.36Å; L305-R309 WeakPolarHBondContact O-CB 3.39Å; L305-R309 WeakPolarHBondContact O-CG 3.49Å; L305-R309 PolarHBondContact O-N 3.19Å
306	V	73.8	Confident	69.2	Low	2 Å²	2	85.4 Å²	85.4	1%	0.012	43%	0.425	C	S	.	.	H	α-helix	trans	-64.2	-49.9	176.2	171.9	0	0	0	0	110.2	I240 V248 L277 I281 K302 I303 T304 D308 R309 L310	I240-V306 HydrophobicContact CD1-CG1 4.02Å; V248-V306 HydrophobicContact CG1-CG2 4.33Å; V248-V306 HydrophobicContact CG2-CG2 3.92Å; L277-V306 HydrophobicContact CD1-CG1 4.45Å; I281-V306 HydrophobicContact CG2-CG1 4.31Å; K302-V306 WeakPolarHBondContact O-CG2 3.37Å; K302-V306 PolarHBondContact O-N 3.07Å; K302-V306 VanDerWaalsContact O-N 3.08Å; I303-V306 PolarHBondContact O-N 3.11Å; I303-V306 VanDerWaalsContact O-N 3.15Å; T304-V306 VanDerWaalsContact C-N 3.34Å; T304-V306 PolarHBondContact O-N 3Å; V306-D308 PolarHBondContact O-N 2.92Å; V306-R309 PolarHBondContact O-N 3.44Å; V306-L310 HydrophobicContact CG1-CD1 3.81Å; V306-L310 HydrophobicContact CG1-CG 4.33Å; V306-L310 WeakPolarHBondContact O-CG 3.47Å; V306-L310 PolarHBondContact O-N 2.96Å
307	E	76.3	Confident	71	Confident	63 Å²	63	80.9 Å²	80.9	29%	0.294	41%	0.407	S	S	.	.	H	α-helix	trans	-60.8	-41.8	-178.3	-71.1	-175.3	175.7	0	0	113.4	I303 T304 L310 K311 L322	I303-E307 PolarHBondContact O-N 2.93Å; T304-E307 PolarHBondContact O-N 3.05Å; E307-L310 PolarHBondContact O-N 3.09Å; E307-K311 WeakPolarHBondContact O-CG 3.16Å; E307-K311 PolarHBondContact O-N 3.4Å; E307-L322 HydrophobicContact CG-CD1 4.44Å
308	D	77.2	Confident	72.9	Confident	84 Å²	84	74.2 Å²	74.2	45%	0.449	37%	0.371	S	S	.	.	H	α-helix	trans	-68.1	-40.2	179.7	-72.8	-20.3	0	0	0	111.8	T304 V306 L310 K311 E312	T304-D308 WeakPolarHBondContact O-CB 3.32Å; T304-D308 PolarHBondContact O-N 2.93Å; V306-D308 PolarHBondContact O-N 2.92Å; D308-L310 VanDerWaalsContact C-N 3.29Å; D308-L310 PolarHBondContact O-N 3.3Å; D308-K311 PolarHBondContact O-N 3.04Å; D308-K311 IonicContact OD1-NZ 3.56Å; D308-E312 WeakPolarHBondContact O-CB 3.39Å; D308-E312 PolarHBondContact O-N 2.88Å
309	R	78.4	Confident	74.8	Confident	106 Å²	106	73.3 Å²	73.3	40%	0.4	35%	0.353	S	S	.	.	H	α-helix	trans	-65.3	-33.2	175.6	-69.1	-77.6	-82.6	-179.6	-9.5	112.3	V248 I250 L305 V306 E312 F313	V248-R309 PolarHBondContact O-NH2 3.24Å; I250-R309 HydrophobicContact CD1-CB 3.7Å; L305-R309 HydrophobicContact CD1-CG 4.36Å; L305-R309 WeakPolarHBondContact O-CB 3.39Å; L305-R309 WeakPolarHBondContact O-CG 3.49Å; L305-R309 PolarHBondContact O-N 3.19Å; V306-R309 PolarHBondContact O-N 3.44Å; R309-E312 IonicContact NH1-OE2 3.83Å; R309-F313 WeakPolarHBondContact O-CB 3.14Å; R309-F313 PolarHBondContact O-N 2.95Å
310	L	80	Confident	76.2	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-69.1	-45	174.6	-68.6	172.2	0	0	0	112.2	I238 I240 I250 L277 V306 E307 D308 E312 F313 C314 L320 L322	I238-L310 HydrophobicContact CD1-CD2 2.94Å; I238-L310 HydrophobicContact CD1-CG 4.41Å; I238-L310 HydrophobicContact CG1-CD2 4.43Å; I240-L310 HydrophobicContact CD1-CD1 4.45Å; I240-L310 HydrophobicContact CD1-CD2 4.02Å; I250-L310 HydrophobicContact CD1-CD2 3.91Å; I250-L310 HydrophobicContact CD1-CG 4.36Å; L277-L310 HydrophobicContact CD1-CD1 4.4Å; V306-L310 HydrophobicContact CG1-CD1 3.81Å; V306-L310 HydrophobicContact CG1-CG 4.33Å; V306-L310 WeakPolarHBondContact O-CG 3.47Å; V306-L310 PolarHBondContact O-N 2.96Å; E307-L310 PolarHBondContact O-N 3.09Å; D308-L310 VanDerWaalsContact C-N 3.29Å; D308-L310 PolarHBondContact O-N 3.3Å; L310-E312 VanDerWaalsContact C-N 3.26Å; L310-E312 PolarHBondContact O-N 3.22Å; L310-F313 PolarHBondContact O-N 2.88Å; L310-C314 PolarHBondContact O-N 3.45Å; L310-C314 VanDerWaalsContact O-N 3.12Å; L310-L320 HydrophobicContact CB-CD2 4.4Å; L310-L320 HydrophobicContact CD2-CD2 3.9Å; L310-L322 HydrophobicContact CD1-CD1 3.64Å; L310-L322 HydrophobicContact CD1-CD2 3.93Å; L310-L322 HydrophobicContact CD1-CG 4.01Å
311	K	77.2	Confident	77.6	Confident	116 Å²	116	69.9 Å²	69.9	50%	0.504	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-38.7	174.8	-72.1	172.1	-169.7	159.2	0	111.5	E307 D308 R315	E307-K311 WeakPolarHBondContact O-CG 3.16Å; E307-K311 PolarHBondContact O-N 3.4Å; D308-K311 PolarHBondContact O-N 3.04Å; D308-K311 IonicContact OD1-NZ 3.56Å; K311-R315 WeakPolarHBondContact O-CA 3.39Å; K311-R315 WeakPolarHBondContact O-CB 3.25Å; K311-R315 PolarHBondContact O-N 2.97Å; K311-R315 VanDerWaalsContact O-N 3.15Å
312	E	78.1	Confident	78.8	Confident	117 Å²	117	67.3 Å²	67.3	55%	0.547	31%	0.31	S	S	.	.	H	α-helix	trans	-64.3	-48.1	175.2	-171.7	-177.6	-167.4	0	0	111.6	D308 R309 L310 C314	D308-E312 WeakPolarHBondContact O-CB 3.39Å; D308-E312 PolarHBondContact O-N 2.88Å; R309-E312 IonicContact NH1-OE2 3.83Å; L310-E312 VanDerWaalsContact C-N 3.26Å; L310-E312 PolarHBondContact O-N 3.22Å; E312-C314 VanDerWaalsContact C-N 3.34Å; E312-C314 PolarHBondContact O-N 3.05Å
313	F	77.4	Confident	79.9	Confident	81 Å²	81	61.8 Å²	61.8	36%	0.355	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-34.4	-177.2	-172.9	-95	0	0	0	113.6	I238 I250 R309 L310	I238-F313 HydrophobicContact CG2-CD1 4.1Å; I238-F313 HydrophobicContact CG2-CE1 3.77Å; I250-F313 HydrophobicContact CD1-CB 4.49Å; I250-F313 HydrophobicContact CG2-CD1 4.18Å; I250-F313 HydrophobicContact CG2-CD2 4.05Å; I250-F313 HydrophobicContact CG2-CE1 4.39Å; I250-F313 HydrophobicContact CG2-CE2 4.25Å; I250-F313 HydrophobicContact CG2-CG 4.02Å; I250-F313 HydrophobicContact CG2-CZ 4.42Å; R309-F313 WeakPolarHBondContact O-CB 3.14Å; R309-F313 PolarHBondContact O-N 2.95Å; L310-F313 PolarHBondContact O-N 2.88Å
314	C	80.5	Confident	80.6	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.02	29%	0.287	C	S	.	.	H	α-helix	trans	-102.5	-0.9	-176	-62.6	0	0	0	0	114.7	L310 E312 D316 H317 Y318 L320	L310-C314 PolarHBondContact O-N 3.45Å; L310-C314 VanDerWaalsContact O-N 3.12Å; E312-C314 VanDerWaalsContact C-N 3.34Å; E312-C314 PolarHBondContact O-N 3.05Å; C314-D316 PolarHBondContact O-N 3.21Å; C314-H317 PolarHBondContact O-N 3.2Å; C314-Y318 HydrophobicContact CB-CD2 4.33Å; C314-Y318 HydrophobicContact CB-CE2 4.15Å; C314-Y318 VanDerWaalsContact CB-O 3.29Å; C314-Y318 WeakPolarHBondContact CB-O 3.39Å; C314-Y318 PolarHBondContact O-N 3.31Å; C314-Y318 VanDerWaalsContact O-N 3.11Å; C314-L320 HydrophobicContact CB-CB 4.31Å
315	R	74.7	Confident	81.4	Confident	180 Å²	180	59.5 Å²	59.5	68%	0.679	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-42.1	-167.4	-174.4	180	-74.7	-171.3	-1.5	114.5	K311	K311-R315 WeakPolarHBondContact O-CA 3.39Å; K311-R315 WeakPolarHBondContact O-CB 3.25Å; K311-R315 PolarHBondContact O-N 2.97Å; K311-R315 VanDerWaalsContact O-N 3.15Å
316	D	79.1	Confident	81.8	Confident	129 Å²	129	56.8 Å²	56.8	69%	0.69	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	2.8	-173.2	-58	-33	0	0	0	113.4	C314	C314-D316 PolarHBondContact O-N 3.21Å
317	H	84	Confident	82.2	Confident	78 Å²	78	63.1 Å²	63.1	36%	0.361	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-53.5	-172.3	-62.6	-36.9	0	0	0	113	R266 N268 C314	R266-H317 CarbonylContact C-O 3.25Å; R266-H317 WeakPolarHBondContact CA-O 3.4Å; R266-H317 HydrophobicContact CB-CB 4.32Å; N268-H317 CarbonylContact C-O 3.57Å; N268-H317 VanDerWaalsContact C-O 3.3Å; N268-H317 VanDerWaalsContact O-O 3.05Å; C314-H317 PolarHBondContact O-N 3.2Å
318	Y	88.4	Confident	82.5	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.016	30%	0.301	C	S	.	.			trans	-169.6	165.6	179.3	51.5	-98.5	0	0	0	110.5	P237 E262 L265 N271 W273 C314 L320	P237-Y318 WeakPolarHBondContact CB-OH 3.3Å; P237-Y318 WeakPolarHBondContact CG-OH 3.5Å; E262-Y318 WeakPolarHBondContact OE1-CE1 3.37Å; E262-Y318 WeakPolarHBondContact OE2-CE1 3.34Å; E262-Y318 PolarHBondContact OE2-OH 2.87Å; L265-Y318 HydrophobicContact CB-CD1 3.67Å; L265-Y318 HydrophobicContact CB-CE1 4.29Å; L265-Y318 HydrophobicContact CB-CG 4.06Å; N271-Y318 WeakPolarHBondContact O-CB 3.39Å; W273-Y318 HydrophobicContact CB-CD2 4.04Å; W273-Y318 HydrophobicContact CB-CE2 4.15Å; W273-Y318 HydrophobicContact CE3-CD2 4.47Å; W273-Y318 HydrophobicContact CE3-CE1 4.2Å; W273-Y318 AromaticContact CE3-CE2 3.77Å; W273-Y318 HydrophobicContact CE3-CE2 3.77Å; W273-Y318 AromaticContact CE3-CZ 3.61Å; C314-Y318 HydrophobicContact CB-CD2 4.33Å; C314-Y318 HydrophobicContact CB-CE2 4.15Å; C314-Y318 VanDerWaalsContact CB-O 3.29Å; C314-Y318 WeakPolarHBondContact CB-O 3.39Å; C314-Y318 PolarHBondContact O-N 3.31Å; C314-Y318 VanDerWaalsContact O-N 3.11Å; Y318-L320 HydrophobicContact CD2-CB 4.47Å; Y318-L320 HydrophobicContact CE2-CB 4.24Å; Y318-L320 HydrophobicContact CE2-CD1 4.37Å
319	Q	88.1	Confident	83	Confident	55 Å²	55	62.4 Å²	62.4	26%	0.257	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	112.6	174.7	-53.2	-178	14.5	0	0	110.4	P269 N271 V272 W273 Y321	P269-Q319 WeakPolarHBondContact O-CG 3.32Å; N271-Q319 PolarHBondContact O-N 2.97Å; V272-Q319 CarbonylContact C-O 3.48Å; V272-Q319 WeakPolarHBondContact CA-O 3.43Å; W273-Q319 PolarHBondContact N-O 3.32Å; Q319-Y321 HydrophobicContact CB-CD2 4.21Å; Q319-Y321 HydrophobicContact CB-CE2 3.53Å; Q319-Y321 PolarHBondContact OE1-OH 2.83Å
320	L	88.5	Confident	83.4	Confident	15 Å²	15	58.8 Å²	58.8	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.5	174.5	-174.5	63.8	0	0	0	110.2	P237 I238 W273 V275 L310 C314 Y318	P237-L320 HydrophobicContact CG-CD1 3.81Å; P237-L320 HydrophobicContact CG-CD2 4.22Å; I238-L320 HydrophobicContact CD1-CD2 4Å; W273-L320 HydrophobicContact CB-CD1 4.09Å; W273-L320 HydrophobicContact CG-CD1 4.41Å; V275-L320 HydrophobicContact CG1-CD1 4.14Å; V275-L320 HydrophobicContact CG2-CD1 3.71Å; V275-L320 HydrophobicContact CG2-CG 4.47Å; L310-L320 HydrophobicContact CB-CD2 4.4Å; L310-L320 HydrophobicContact CD2-CD2 3.9Å; C314-L320 HydrophobicContact CB-CB 4.31Å; Y318-L320 HydrophobicContact CD2-CB 4.47Å; Y318-L320 HydrophobicContact CE2-CB 4.24Å; Y318-L320 HydrophobicContact CE2-CD1 4.37Å
321	Y	87.5	Confident	83.7	Confident	73 Å²	73	62.2 Å²	62.2	29%	0.286	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.2	175.2	-67.8	-81.9	0	0	0	111.4	V272 W273 L274 V275 Q319 K384	V272-Y321 HydrophobicContact CG1-CD2 3.52Å; V272-Y321 HydrophobicContact CG1-CE2 3.82Å; W273-Y321 PolarHBondContact O-N 2.85Å; L274-Y321 WeakPolarHBondContact CA-O 3.36Å; V275-Y321 PolarHBondContact N-O 3.39Å; Q319-Y321 HydrophobicContact CB-CD2 4.21Å; Q319-Y321 HydrophobicContact CB-CE2 3.53Å; Q319-Y321 PolarHBondContact OE1-OH 2.83Å; Y321-K384 HydrophobicContact CD1-CD 4.37Å; Y321-K384 HydrophobicContact CD2-CG 4.46Å; Y321-K384 HydrophobicContact CE1-CD 4.12Å; Y321-K384 HydrophobicContact CE2-CD 4.48Å; Y321-K384 HydrophobicContact CG-CG 4.48Å
322	L	87.3	Confident	84.3	Confident	33 Å²	33	58.1 Å²	58.1	17%	0.173	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131	-179.3	-56.5	-175.1	0	0	0	110.8	V275 L277 V283 E307 L310	V275-L322 HydrophobicContact CG2-CD2 3.85Å; V275-L322 CarbonylContact O-C 3.49Å; V275-L322 WeakPolarHBondContact O-CA 3.47Å; L277-L322 HydrophobicContact CD1-CD1 3.54Å; L277-L322 HydrophobicContact CD1-CD2 3.68Å; L277-L322 HydrophobicContact CD1-CG 4.23Å; L277-L322 HydrophobicContact CD2-CD2 4.25Å; L277-L322 HydrophobicContact CG-CD1 4.4Å; L277-L322 HydrophobicContact CG-CD2 3.72Å; V283-L322 HydrophobicContact CG1-CB 3.95Å; V283-L322 HydrophobicContact CG1-CD1 4.06Å; V283-L322 HydrophobicContact CG2-CD1 4.03Å; E307-L322 HydrophobicContact CG-CD1 4.44Å; L310-L322 HydrophobicContact CD1-CD1 3.64Å; L310-L322 HydrophobicContact CD1-CD2 3.93Å; L310-L322 HydrophobicContact CD1-CG 4.01Å
323	V	88.5	Confident	85	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	24%	0.244	C	C	.	.			trans	-93.1	110.5	168.8	179.8	0	0	0	0	107.8	L274 V275 V325 F377 D380	L274-V323 HydrophobicContact CB-CG2 4.23Å; L274-V323 HydrophobicContact CD2-CG2 4.21Å; V275-V323 PolarHBondContact O-N 3Å; V323-V325 HydrophobicContact CG1-CG2 4.2Å; V323-V325 PolarHBondContact O-N 3.36Å; V323-F377 HydrophobicContact CB-CD1 4.14Å; V323-F377 HydrophobicContact CB-CE1 4.01Å; V323-F377 HydrophobicContact CB-CE2 4.43Å; V323-F377 HydrophobicContact CB-CG 4.43Å; V323-F377 HydrophobicContact CB-CZ 4.18Å; V323-F377 HydrophobicContact CG1-CD1 4.21Å; V323-F377 HydrophobicContact CG1-CD2 3.93Å; V323-F377 HydrophobicContact CG1-CE1 4.4Å; V323-F377 HydrophobicContact CG1-CE2 4.11Å; V323-F377 HydrophobicContact CG1-CG 4Å; V323-F377 HydrophobicContact CG1-CZ 4.36Å; V323-F377 HydrophobicContact CG2-CD1 3.64Å; V323-F377 HydrophobicContact CG2-CE1 3.79Å; V323-F377 HydrophobicContact CG2-CG 4.2Å; V323-F377 HydrophobicContact CG2-CZ 4.46Å; V323-D380 HydrophobicContact CG2-CB 4.11Å
324	S	84.3	Confident	85.6	Confident	8 Å²	8	51.4 Å²	51.4	6%	0.056	24%	0.237	C	C	.	.			trans	-75.8	123.6	176.1	-172.8	0	0	0	0	110.4	A284 T285 R289	A284-S324 WeakPolarHBondContact O-CB 3.39Å; A284-S324 PolarHBondContact O-OG 3.38Å; T285-S324 WeakPolarHBondContact CA-OG 3.39Å; T285-S324 PolarHBondContact OG1-OG 3.49Å; R289-S324 WeakPolarHBondContact CD-O 3.43Å; R289-S324 PolarHBondContact NH1-O 3.15Å
325	V	85.7	Confident	86.1	Confident	18 Å²	18	52.2 Å²	52.2	11%	0.109	25%	0.247	C	C	.	.			trans	-124.6	124.5	179.5	180	0	0	0	0	107.6	V323 K327 D329 Y330 Y333 V373	V323-V325 HydrophobicContact CG1-CG2 4.2Å; V323-V325 PolarHBondContact O-N 3.36Å; V325-K327 PolarHBondContact O-N 3.46Å; V325-D329 HydrophobicContact CG1-CB 4.16Å; V325-Y330 HydrophobicContact CG1-CD2 4.44Å; V325-Y333 HydrophobicContact CG1-CE1 4.18Å; V325-V373 HydrophobicContact CG1-CG2 3.75Å; V325-V373 HydrophobicContact CG2-CG1 4.24Å
326	P	83.3	Confident	86.9	Confident	21 Å²	21	44 Å²	44	14%	0.136	22%	0.218	C	C	.	.			trans	-54.5	138.6	175.4	-25.3	34.3	0	0	0	111.3	R289 Q328 D329 Y330 Y376	R289-P326 HydrophobicContact CB-CG 4.15Å; P326-Q328 VanDerWaalsContact C-N 3.29Å; P326-Q328 PolarHBondContact O-N 3.09Å; P326-D329 HydrophobicContact CB-CB 4.47Å; P326-D329 PolarHBondContact O-N 3.36Å; P326-Y330 PolarHBondContact O-N 3.05Å; P326-Y376 HydrophobicContact CG-CE2 4.47Å
327	K	81.6	Confident	87.7	Confident	136 Å²	136	37.9 Å²	37.9	59%	0.591	19%	0.185	S	C	*	.	H	α-helix	trans	-52.7	-44.7	-175.6	173.4	168.9	-178.7	176.3	0	113.4	V325 D329 Y330 D331	V325-K327 PolarHBondContact O-N 3.46Å; K327-D329 PolarHBondContact O-N 3.33Å; K327-Y330 PolarHBondContact O-N 2.77Å; K327-Y330 VanDerWaalsContact O-N 3.17Å; K327-D331 WeakPolarHBondContact CE-OD2 3.43Å; K327-D331 WeakPolarHBondContact CG-OD2 3.21Å; K327-D331 PolarHBondContact O-N 2.98Å
328	Q	82	Confident	88.2	Confident	126 Å²	126	34.1 Å²	34.1	59%	0.589	17%	0.168	S	C	*	.	H	α-helix	trans	-59	-48.6	178.7	-178	175.9	2.6	0	0	111.4	P326 Y330 I332	P326-Q328 VanDerWaalsContact C-N 3.29Å; P326-Q328 PolarHBondContact O-N 3.09Å; Q328-Y330 VanDerWaalsContact C-N 3.33Å; Q328-Y330 PolarHBondContact O-N 3.38Å; Q328-I332 HydrophobicContact CG-CD1 3.87Å; Q328-I332 WeakPolarHBondContact O-CB 2.95Å; Q328-I332 WeakPolarHBondContact O-CD1 3.01Å; Q328-I332 WeakPolarHBondContact O-CG1 3.48Å; Q328-I332 PolarHBondContact O-N 2.67Å; Q328-I332 VanDerWaalsContact O-N 3.17Å
329	D	87.9	Confident	88.5	Confident	5 Å²	5	34 Å²	34	3%	0.027	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-43.4	174.9	-85.3	-8.3	0	0	0	110.8	V325 P326 K327 I332 Y333 R372 V373	V325-D329 HydrophobicContact CG1-CB 4.16Å; P326-D329 HydrophobicContact CB-CB 4.47Å; P326-D329 PolarHBondContact O-N 3.36Å; K327-D329 PolarHBondContact O-N 3.33Å; D329-I332 PolarHBondContact O-N 3.06Å; D329-Y333 WeakPolarHBondContact O-CD1 3.3Å; D329-Y333 PolarHBondContact O-N 3.41Å; D329-R372 IonicContact OD1-CZ 2.74Å; D329-R372 IonicContact OD1-NE 2.71Å; D329-R372 PolarHBondContact OD1-NE 3.17Å; D329-R372 VanDerWaalsContact OD1-NE 3.16Å; D329-R372 IonicContact OD1-NH2 3.57Å; D329-R372 PolarHBondContact OD1-NH2 3.38Å; D329-R372 IonicContact OD2-CZ 3.02Å; D329-R372 IonicContact OD2-NE 3.65Å; D329-R372 PolarHBondContact OD2-NE 3.08Å; D329-V373 HydrophobicContact CB-CG2 4.16Å
330	Y	87.7	Confident	88.8	Confident	31 Å²	31	31.5 Å²	31.5	12%	0.122	16%	0.156	C	C	.	.	H	α-helix	trans	-57	-54.1	-179.7	-173.4	-88.1	0	0	0	112.7	G278 V325 P326 K327 Q328 I332 Y333 Y334	G278-Y330 VanDerWaalsContact CA-CE2 3.41Å; V325-Y330 HydrophobicContact CG1-CD2 4.44Å; P326-Y330 PolarHBondContact O-N 3.05Å; K327-Y330 PolarHBondContact O-N 2.77Å; K327-Y330 VanDerWaalsContact O-N 3.17Å; Q328-Y330 VanDerWaalsContact C-N 3.33Å; Q328-Y330 PolarHBondContact O-N 3.38Å; Y330-I332 VanDerWaalsContact C-N 3.27Å; Y330-I332 PolarHBondContact O-N 3.37Å; Y330-Y333 VanDerWaalsContact CA-CD1 3.46Å; Y330-Y333 VanDerWaalsContact CA-CE1 3.5Å; Y330-Y333 AromaticContact CD2-CE1 3.43Å; Y330-Y333 HydrophobicContact CD2-CE1 3.43Å; Y330-Y333 VanDerWaalsContact CD2-CE1 3.43Å; Y330-Y333 AromaticContact CD2-CZ 3.86Å; Y330-Y333 WeakPolarHBondContact CD2-OH 3.4Å; Y330-Y333 AromaticContact CE2-CE1 3.95Å; Y330-Y333 HydrophobicContact CE2-CE1 3.95Å; Y330-Y333 AromaticContact CE2-CZ 3.89Å; Y330-Y333 WeakPolarHBondContact CE2-OH 3.22Å; Y330-Y333 AromaticContact CG-CE1 3.95Å; Y330-Y333 HydrophobicContact CG-CE1 3.95Å; Y330-Y333 WeakPolarHBondContact O-CD1 3.45Å; Y330-Y334 HydrophobicContact CE1-CG 4.31Å; Y330-Y334 WeakPolarHBondContact O-CB 3.31Å; Y330-Y334 PolarHBondContact O-N 3.41Å
331	D	85.8	Confident	89.1	Confident	76 Å²	76	30.9 Å²	30.9	41%	0.406	15%	0.153	S	C	.	.	H	α-helix	trans	-63.7	-37.7	-176.6	-65.3	-20.2	0	0	0	110.4	S279 K327 G335	S279-D331 PolarHBondContact OG-OD1 3.3Å; K327-D331 WeakPolarHBondContact CE-OD2 3.43Å; K327-D331 WeakPolarHBondContact CG-OD2 3.21Å; K327-D331 PolarHBondContact O-N 2.98Å; D331-G335 WeakPolarHBondContact O-CA 3Å; D331-G335 PolarHBondContact O-N 3.3Å
332	I	90.1	Very high	89.6	Confident	30 Å²	30	27.6 Å²	27.6	15%	0.154	14%	0.14	C	C	.	.	H	α-helix	trans	-72.3	-49.7	178.1	-66.7	170.9	0	0	0	112.5	Q328 D329 Y330 G336 H366 A369	Q328-I332 HydrophobicContact CG-CD1 3.87Å; Q328-I332 WeakPolarHBondContact O-CB 2.95Å; Q328-I332 WeakPolarHBondContact O-CD1 3.01Å; Q328-I332 WeakPolarHBondContact O-CG1 3.48Å; Q328-I332 PolarHBondContact O-N 2.67Å; Q328-I332 VanDerWaalsContact O-N 3.17Å; D329-I332 PolarHBondContact O-N 3.06Å; Y330-I332 VanDerWaalsContact C-N 3.27Å; Y330-I332 PolarHBondContact O-N 3.37Å; I332-G336 WeakPolarHBondContact O-CA 3.34Å; I332-G336 PolarHBondContact O-N 3.12Å; I332-H366 HydrophobicContact CG2-CB 3.9Å; I332-H366 WeakPolarHBondContact CG2-CD2 3.38Å; I332-A369 HydrophobicContact CB-CB 4.14Å; I332-A369 HydrophobicContact CG2-CB 3.65Å
333	Y	92	Very high	90	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-71.6	-39	-177.6	93.3	-93.5	0	0	0	111.7	N234 V325 D329 Y330 I337 S338 Y370 V373	N234-Y333 PolarHBondContact OD1-OH 3.22Å; V325-Y333 HydrophobicContact CG1-CE1 4.18Å; D329-Y333 WeakPolarHBondContact O-CD1 3.3Å; D329-Y333 PolarHBondContact O-N 3.41Å; Y330-Y333 VanDerWaalsContact CA-CD1 3.46Å; Y330-Y333 VanDerWaalsContact CA-CE1 3.5Å; Y330-Y333 AromaticContact CD2-CE1 3.43Å; Y330-Y333 HydrophobicContact CD2-CE1 3.43Å; Y330-Y333 VanDerWaalsContact CD2-CE1 3.43Å; Y330-Y333 AromaticContact CD2-CZ 3.86Å; Y330-Y333 WeakPolarHBondContact CD2-OH 3.4Å; Y330-Y333 AromaticContact CE2-CE1 3.95Å; Y330-Y333 HydrophobicContact CE2-CE1 3.95Å; Y330-Y333 AromaticContact CE2-CZ 3.89Å; Y330-Y333 WeakPolarHBondContact CE2-OH 3.22Å; Y330-Y333 AromaticContact CG-CE1 3.95Å; Y330-Y333 HydrophobicContact CG-CE1 3.95Å; Y330-Y333 WeakPolarHBondContact O-CD1 3.45Å; Y333-I337 PolarHBondContact O-N 2.76Å; Y333-S338 WeakPolarHBondContact CD2-OG 3.37Å; Y333-S338 WeakPolarHBondContact O-CB 3.39Å; Y333-S338 PolarHBondContact O-N 3.5Å; Y333-S338 PolarHBondContact O-OG 2.85Å; Y333-Y370 HydrophobicContact CD2-CD2 4.42Å; Y333-V373 HydrophobicContact CD1-CB 3.97Å; Y333-V373 HydrophobicContact CD1-CG1 3.87Å; Y333-V373 HydrophobicContact CD1-CG2 3.24Å; Y333-V373 HydrophobicContact CD2-CB 4.48Å; Y333-V373 HydrophobicContact CD2-CG1 4.16Å; Y333-V373 HydrophobicContact CE1-CB 4.3Å; Y333-V373 HydrophobicContact CE1-CG1 3.7Å; Y333-V373 HydrophobicContact CE1-CG2 3.8Å; Y333-V373 HydrophobicContact CE2-CG1 4.03Å; Y333-V373 HydrophobicContact CG-CB 4.1Å; Y333-V373 HydrophobicContact CG-CG1 4.13Å; Y333-V373 HydrophobicContact CG-CG2 3.69Å
334	Y	91.7	Very high	90.4	Very high	56 Å²	56	26.6 Å²	26.6	22%	0.22	13%	0.134	C	C	.	.	I	π-helix	trans	-76.1	-52.4	-176.1	-173.1	-96.8	0	0	0	110.1	N234 Y330 N339 H397	N234-Y334 VanDerWaalsContact ND2-CE2 3.32Å; N234-Y334 WeakPolarHBondContact ND2-CE2 3.14Å; Y330-Y334 HydrophobicContact CE1-CG 4.31Å; Y330-Y334 WeakPolarHBondContact O-CB 3.31Å; Y330-Y334 PolarHBondContact O-N 3.41Å; Y334-N339 VanDerWaalsContact CE1-ND2 3.34Å; Y334-N339 WeakPolarHBondContact CE1-ND2 3.4Å; Y334-N339 WeakPolarHBondContact CE2-ND2 3.28Å; Y334-N339 VanDerWaalsContact CZ-ND2 3.32Å; Y334-N339 VanDerWaalsContact O-CB 3.28Å; Y334-N339 WeakPolarHBondContact O-CB 3.11Å; Y334-N339 PolarHBondContact O-N 3.48Å; Y334-N339 VanDerWaalsContact O-N 3.09Å; Y334-N339 PolarHBondContact O-ND2 3.36Å; Y334-H397 AromaticContact CD2-CD2 3.94Å; Y334-H397 AromaticContact CD2-NE2 3.87Å; Y334-H397 AromaticContact CE2-NE2 3.5Å
335	G	89.6	Confident	91	Very high	21 Å²	21	26.2 Å²	26.2	22%	0.216	13%	0.131	C	C	.	.	I	π-helix	trans	-70.4	-37.1	177.5	0	0	0	0	0	112.9	D331 G340	D331-G335 WeakPolarHBondContact O-CA 3Å; D331-G335 PolarHBondContact O-N 3.3Å; G335-G340 PolarHBondContact O-N 2.88Å
336	G	92.8	Very high	91.5	Very high	7 Å²	7	25.8 Å²	25.8	7%	0.072	13%	0.128	C	C	.	.	I	π-helix	trans	-83.4	-101.6	-178.3	0	0	0	0	0	113.6	I332 S338 G340 L341 Y357	I332-G336 WeakPolarHBondContact O-CA 3.34Å; I332-G336 PolarHBondContact O-N 3.12Å; G336-S338 VanDerWaalsContact C-N 3.29Å; G336-S338 PolarHBondContact O-N 3.21Å; G336-G340 CarbonylContact O-C 3.6Å; G336-G340 WeakPolarHBondContact O-CA 3.4Å; G336-G340 PolarHBondContact O-N 2.8Å; G336-L341 PolarHBondContact O-N 3.34Å; G336-Y357 WeakPolarHBondContact CA-OH 3.06Å; G336-Y357 PolarHBondContact O-OH 2.79Å; G336-Y357 VanDerWaalsContact O-OH 3.11Å
337	I	94.8	Very high	92.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	I	π-helix	trans	-58.3	-42.5	-167.4	-66.1	-62.7	0	0	0	111.8	Y333 L341 L342 Y357 L363 H366 W367 Y370	Y333-I337 PolarHBondContact O-N 2.76Å; I337-L341 HydrophobicContact CD1-CD2 4.12Å; I337-L341 WeakPolarHBondContact O-CB 3.26Å; I337-L341 PolarHBondContact O-N 3.17Å; I337-L342 HydrophobicContact CG2-CD1 3.92Å; I337-L342 HydrophobicContact CG2-CG 3.98Å; I337-L342 WeakPolarHBondContact O-CG 3.38Å; I337-L342 PolarHBondContact O-N 2.92Å; I337-Y357 PolarHBondContact N-OH 3.07Å; I337-Y357 VanDerWaalsContact N-OH 3.11Å; I337-L363 HydrophobicContact CD1-CD1 4.04Å; I337-H366 HydrophobicContact CD1-CB 3.99Å; I337-H366 VanDerWaalsContact CG1-C 3.42Å; I337-H366 HydrophobicContact CG1-CB 3.89Å; I337-H366 VanDerWaalsContact CG1-O 3.27Å; I337-H366 WeakPolarHBondContact CG1-O 3.33Å; I337-W367 HydrophobicContact CD1-CB 4.24Å; I337-W367 HydrophobicContact CD1-CE3 4.46Å; I337-W367 HydrophobicContact CG1-CE3 4.5Å; I337-W367 HydrophobicContact CG2-CE3 4.1Å; I337-W367 HydrophobicContact CG2-CZ3 4.28Å; I337-Y370 HydrophobicContact CB-CD2 4.04Å; I337-Y370 HydrophobicContact CB-CG 4.1Å; I337-Y370 HydrophobicContact CG2-CD1 4.23Å; I337-Y370 HydrophobicContact CG2-CD2 3.69Å; I337-Y370 HydrophobicContact CG2-CE2 4.25Å; I337-Y370 HydrophobicContact CG2-CG 3.71Å
338	S	95.8	Very high	92.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-64.9	-65.6	-177.9	-52.3	0	0	0	0	110.7	Y333 G336 L342 W343 Y396	Y333-S338 WeakPolarHBondContact CD2-OG 3.37Å; Y333-S338 WeakPolarHBondContact O-CB 3.39Å; Y333-S338 PolarHBondContact O-N 3.5Å; Y333-S338 PolarHBondContact O-OG 2.85Å; G336-S338 VanDerWaalsContact C-N 3.29Å; G336-S338 PolarHBondContact O-N 3.21Å; S338-L342 PolarHBondContact O-N 3.47Å; S338-W343 WeakPolarHBondContact O-CB 3.49Å; S338-W343 PolarHBondContact O-N 3.46Å; S338-Y396 VanDerWaalsContact O-CE2 3.22Å; S338-Y396 WeakPolarHBondContact O-CE2 3.32Å
339	N	94	Very high	93.4	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.09	C	C	.	.	I	π-helix	trans	-92.8	-18.2	-171	-67.2	-65.1	0	0	0	114.8	Y334 P344 Y396 R577 I580	Y334-N339 VanDerWaalsContact CE1-ND2 3.34Å; Y334-N339 WeakPolarHBondContact CE1-ND2 3.4Å; Y334-N339 WeakPolarHBondContact CE2-ND2 3.28Å; Y334-N339 VanDerWaalsContact CZ-ND2 3.32Å; Y334-N339 VanDerWaalsContact O-CB 3.28Å; Y334-N339 WeakPolarHBondContact O-CB 3.11Å; Y334-N339 PolarHBondContact O-N 3.48Å; Y334-N339 VanDerWaalsContact O-N 3.09Å; Y334-N339 PolarHBondContact O-ND2 3.36Å; N339-P344 WeakPolarHBondContact O-CD 3.48Å; N339-Y396 PolarHBondContact OD1-OH 3.14Å; N339-R577 PolarHBondContact OD1-NE 3.24Å; N339-R577 PolarHBondContact OD1-NH1 3.2Å; N339-R577 VanDerWaalsContact OD1-NH1 3.09Å; N339-R577 PolarHBondContact OD1-NH2 2.93Å; N339-I580 HydrophobicContact CB-CD1 3.42Å; N339-I580 VanDerWaalsContact CB-CD1 3.42Å
340	G	93.8	Very high	93.6	Very high	2 Å²	2	20.3 Å²	20.3	2%	0.021	11%	0.105	C	C	.	.	I	π-helix	trans	-94.6	-20.2	177.1	0	0	0	0	0	114.5	G335 G336 V353 A354	G335-G340 PolarHBondContact O-N 2.88Å; G336-G340 CarbonylContact O-C 3.6Å; G336-G340 WeakPolarHBondContact O-CA 3.4Å; G336-G340 PolarHBondContact O-N 2.8Å; G340-V353 CarbonylContact O-C 3.58Å; G340-V353 WeakPolarHBondContact O-CA 3.39Å; G340-A354 PolarHBondContact O-N 3.09Å
341	L	95.9	Very high	93.9	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	12%	0.124	C	C	.	.	I	π-helix	trans	-120.7	-65.4	175.6	-178.8	60.2	0	0	0	112.5	G336 I337 W343 P344 A345 V353 Y357 L363 F428 Y432	G336-L341 PolarHBondContact O-N 3.34Å; I337-L341 HydrophobicContact CD1-CD2 4.12Å; I337-L341 WeakPolarHBondContact O-CB 3.26Å; I337-L341 PolarHBondContact O-N 3.17Å; L341-W343 PolarHBondContact O-N 3.37Å; L341-P344 VanDerWaalsContact O-CD 3.3Å; L341-P344 WeakPolarHBondContact O-CD 3.42Å; L341-P344 WeakPolarHBondContact O-CG 3.25Å; L341-A345 WeakPolarHBondContact O-CB 3.36Å; L341-A345 PolarHBondContact O-N 2.8Å; L341-V353 HydrophobicContact CD1-CG1 3.71Å; L341-V353 HydrophobicContact CD1-CG2 4.43Å; L341-Y357 HydrophobicContact CB-CD2 4.08Å; L341-Y357 HydrophobicContact CB-CE2 3.64Å; L341-Y357 HydrophobicContact CD1-CD2 4.37Å; L341-L363 HydrophobicContact CD2-CD1 3.93Å; L341-F428 HydrophobicContact CD1-CE2 4.2Å; L341-F428 HydrophobicContact CG-CE2 4.45Å; L341-Y432 HydrophobicContact CD1-CD1 3.98Å; L341-Y432 HydrophobicContact CD1-CD2 4.07Å; L341-Y432 HydrophobicContact CD1-CE1 3.68Å; L341-Y432 HydrophobicContact CD1-CE2 3.76Å; L341-Y432 HydrophobicContact CD1-CG 4.17Å; L341-Y432 HydrophobicContact CD2-CD1 4.25Å; L341-Y432 HydrophobicContact CD2-CG 4.48Å
342	L	96.9	Very high	94.4	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	11%	0.113	C	C	.	.	I	π-helix	trans	-65.9	-43.7	-169.8	-63.4	-178.2	0	0	0	112.3	I337 S338 L346 Y370 Y396 F428 I439	I337-L342 HydrophobicContact CG2-CD1 3.92Å; I337-L342 HydrophobicContact CG2-CG 3.98Å; I337-L342 WeakPolarHBondContact O-CG 3.38Å; I337-L342 PolarHBondContact O-N 2.92Å; S338-L342 PolarHBondContact O-N 3.47Å; L342-L346 HydrophobicContact CB-CD1 4.36Å; L342-L346 WeakPolarHBondContact O-CB 3.4Å; L342-L346 WeakPolarHBondContact O-CG 3.41Å; L342-L346 PolarHBondContact O-N 3.17Å; L342-Y370 HydrophobicContact CD1-CE2 4.13Å; L342-Y396 HydrophobicContact CB-CD2 3.86Å; L342-Y396 HydrophobicContact CD1-CD2 4.38Å; L342-F428 HydrophobicContact CD2-CZ 4.26Å; L342-I439 HydrophobicContact CD1-CD1 4.22Å; L342-I439 HydrophobicContact CD2-CD1 3.43Å; L342-I439 VanDerWaalsContact CD2-CD1 3.43Å; L342-I439 HydrophobicContact CG-CD1 4.47Å
343	W	96.4	Very high	94.6	Very high	15 Å²	15	21.9 Å²	21.9	6%	0.057	11%	0.11	C	C	.	.	H	α-helix	trans	-57.2	-61	177	-176.8	-81.7	0	0	0	112.1	S338 L341 A345 H347 Y396 I420 R539 D541 Y542 T543 Y583	S338-W343 WeakPolarHBondContact O-CB 3.49Å; S338-W343 PolarHBondContact O-N 3.46Å; L341-W343 PolarHBondContact O-N 3.37Å; W343-A345 PolarHBondContact O-N 3Å; W343-H347 AromaticContact CD2-CE1 3.73Å; W343-H347 AromaticContact CE2-CE1 3.72Å; W343-H347 AromaticContact CE3-CE1 3.94Å; W343-H347 AromaticContact CZ2-CE1 3.96Å; W343-H347 PolarHBondContact O-N 2.82Å; W343-H347 PolarHBondContact O-ND1 3.47Å; W343-Y396 HydrophobicContact CB-CE2 4.34Å; W343-Y396 HydrophobicContact CE3-CD1 4.37Å; W343-Y396 AromaticContact CE3-CE1 3.43Å; W343-Y396 HydrophobicContact CE3-CE1 3.43Å; W343-Y396 VanDerWaalsContact CE3-CE1 3.43Å; W343-Y396 HydrophobicContact CE3-CE2 4.43Å; W343-Y396 AromaticContact CE3-CZ 3.45Å; W343-Y396 VanDerWaalsContact CE3-CZ 3.45Å; W343-Y396 AromaticContact CZ3-CE1 3.75Å; W343-Y396 HydrophobicContact CZ3-CE1 3.75Å; W343-I420 HydrophobicContact CE3-CG2 3.96Å; W343-I420 HydrophobicContact CH2-CG2 4.03Å; W343-I420 HydrophobicContact CZ3-CG2 3.43Å; W343-I420 VanDerWaalsContact CZ3-CG2 3.43Å; W343-R539 VanDerWaalsContact CH2-NH2 3.28Å; W343-R539 VanDerWaalsContact CZ2-NH2 3.34Å; W343-D541 WeakPolarHBondContact CZ2-OD2 3.24Å; W343-Y542 AromaticContact CD1-CE2 3.77Å; W343-Y542 AromaticContact CD1-CZ 3.67Å; W343-Y542 VanDerWaalsContact CD1-OH 3.24Å; W343-Y542 AromaticContact NE1-CE2 3.97Å; W343-T543 HydrophobicContact CZ2-CG2 4.13Å; W343-T543 VanDerWaalsContact NE1-CG2 3.29Å; W343-Y583 VanDerWaalsContact CD1-OH 3.29Å; W343-Y583 PolarHBondContact NE1-OH 3.05Å; W343-Y583 VanDerWaalsContact NE1-OH 3.08Å
344	P	96.3	Very high	94.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-41.2	179.2	21.6	-29.8	0	0	0	113	N339 L341 H347 H348 L349 V353 Y542	N339-P344 WeakPolarHBondContact O-CD 3.48Å; L341-P344 VanDerWaalsContact O-CD 3.3Å; L341-P344 WeakPolarHBondContact O-CD 3.42Å; L341-P344 WeakPolarHBondContact O-CG 3.25Å; P344-H347 PolarHBondContact O-N 2.89Å; P344-H348 PolarHBondContact O-N 2.88Å; P344-L349 WeakPolarHBondContact CB-O 3.35Å; P344-L349 CarbonylContact O-C 3.59Å; P344-L349 PolarHBondContact O-N 3.09Å; P344-V353 HydrophobicContact CB-CG2 4.03Å; P344-V353 HydrophobicContact CG-CB 4.42Å; P344-V353 HydrophobicContact CG-CG2 3.85Å; P344-Y542 HydrophobicContact CB-CE2 4.15Å; P344-Y542 WeakPolarHBondContact CB-OH 3.35Å; P344-Y542 WeakPolarHBondContact CD-OH 3.47Å
345	A	96.4	Very high	94.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-48.8	-177.8	0	0	0	0	0	112.4	L341 W343 H347 H348 P424 F428	L341-A345 WeakPolarHBondContact O-CB 3.36Å; L341-A345 PolarHBondContact O-N 2.8Å; W343-A345 PolarHBondContact O-N 3Å; A345-H347 PolarHBondContact O-N 2.96Å; A345-H348 PolarHBondContact O-N 3.49Å; A345-P424 WeakPolarHBondContact O-CA 3.08Å; A345-F428 HydrophobicContact CB-CD2 3.52Å; A345-F428 HydrophobicContact CB-CE2 3.35Å; A345-F428 HydrophobicContact CB-CZ 4.22Å
346	L	96.8	Very high	94.8	Very high	9 Å²	9	28.6 Å²	28.6	5%	0.047	14%	0.141	C	C	.	.	H	α-helix	trans	-70.2	-15.2	-178.4	-63.8	177.4	0	0	0	113.2	L342 I420 F422 D423 P424	L342-L346 HydrophobicContact CB-CD1 4.36Å; L342-L346 WeakPolarHBondContact O-CB 3.4Å; L342-L346 WeakPolarHBondContact O-CG 3.41Å; L342-L346 PolarHBondContact O-N 3.17Å; L346-I420 HydrophobicContact CB-CD1 3.97Å; L346-I420 HydrophobicContact CD1-CD1 3.76Å; L346-F422 HydrophobicContact CD2-CD2 3.94Å; L346-F422 HydrophobicContact CD2-CE2 3.88Å; L346-D423 CarbonylContact O-C 3.59Å; L346-D423 WeakPolarHBondContact O-CA 3.47Å; L346-D423 PolarHBondContact O-N 3.25Å; L346-P424 HydrophobicContact CD2-CB 4.33Å; L346-P424 HydrophobicContact CD2-CG 4.25Å
347	H	96.2	Very high	94.8	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.009	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.4	171.6	-73	84.7	0	0	0	113.5	W343 P344 A345 L349 P421 T543 A637	W343-H347 AromaticContact CD2-CE1 3.73Å; W343-H347 AromaticContact CE2-CE1 3.72Å; W343-H347 AromaticContact CE3-CE1 3.94Å; W343-H347 AromaticContact CZ2-CE1 3.96Å; W343-H347 PolarHBondContact O-N 2.82Å; W343-H347 PolarHBondContact O-ND1 3.47Å; P344-H347 PolarHBondContact O-N 2.89Å; A345-H347 PolarHBondContact O-N 2.96Å; H347-L349 VanDerWaalsContact C-N 3.3Å; H347-L349 HydrophobicContact CB-CD1 4.07Å; H347-L349 HydrophobicContact CB-CG 4.21Å; H347-L349 PolarHBondContact O-N 2.72Å; H347-P421 WeakPolarHBondContact NE2-CD 3.4Å; H347-T543 HydrophobicContact CB-CG2 4.14Å; H347-T543 VanDerWaalsContact CD2-CG2 3.4Å; H347-T543 WeakPolarHBondContact CD2-CG2 3.47Å; H347-A637 HydrophobicContact CB-CB 3.94Å; H347-A637 PolarHBondContact CD2-O 3.1Å; H347-A637 VanDerWaalsContact CD2-O 3.3Å; H347-A637 VanDerWaalsContact O-CB 3.28Å; H347-A637 WeakPolarHBondContact O-CB 3.49Å
348	H	95.1	Very high	94.6	Very high	89 Å²	89	35 Å²	35	41%	0.412	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	34.9	-173.6	-146.8	112	0	0	0	113.6	P344 A345 D423	P344-H348 PolarHBondContact O-N 2.88Å; A345-H348 PolarHBondContact O-N 3.49Å; H348-D423 WeakPolarHBondContact CA-O 3.47Å; H348-D423 HydrophobicContact CB-CB 4.31Å; H348-D423 VanDerWaalsContact CB-O 3.24Å; H348-D423 WeakPolarHBondContact CB-O 3.38Å; H348-D423 PolarHBondContact N-O 2.95Å; H348-D423 PolarHBondContact ND1-O 2.68Å; H348-D423 IonicContact ND1-OD1 3.15Å; H348-D423 PolarHBondContact ND1-OD1 2.74Å; H348-D423 IonicContact ND1-OD2 2.64Å
349	L	94.9	Very high	94.4	Very high	16 Å²	16	38 Å²	38	8%	0.084	19%	0.185	C	C	.	.			trans	-121.7	57.2	-175.9	-65.9	176.8	0	0	0	110.5	P344 H347 E351 Y352 Y542 T543	P344-L349 WeakPolarHBondContact CB-O 3.35Å; P344-L349 CarbonylContact O-C 3.59Å; P344-L349 PolarHBondContact O-N 3.09Å; H347-L349 VanDerWaalsContact C-N 3.3Å; H347-L349 HydrophobicContact CB-CD1 4.07Å; H347-L349 HydrophobicContact CB-CG 4.21Å; H347-L349 PolarHBondContact O-N 2.72Å; L349-E351 WeakPolarHBondContact CA-OE2 3.27Å; L349-E351 PolarHBondContact O-N 2.53Å; L349-E351 VanDerWaalsContact O-N 3.11Å; L349-Y352 HydrophobicContact CB-CD2 3.96Å; L349-Y352 PolarHBondContact O-N 3.49Å; L349-Y542 HydrophobicContact CD1-CD2 3.75Å; L349-Y542 HydrophobicContact CD1-CE2 4.23Å; L349-T543 HydrophobicContact CD1-CG2 4.07Å
350	N	93.4	Very high	94.1	Very high	65 Å²	65	42.1 Å²	42.1	35%	0.348	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-57.3	-26.1	-174.1	-70.8	-29.8	0	0	0	113.7	Y352 V353 S425	N350-Y352 PolarHBondContact O-N 3.02Å; N350-V353 WeakPolarHBondContact O-CB 3.39Å; N350-V353 PolarHBondContact O-N 2.93Å; N350-V353 VanDerWaalsContact O-N 3.1Å; N350-S425 WeakPolarHBondContact ND2-CB 3.41Å; N350-S425 PolarHBondContact ND2-OG 3.37Å
351	E	93.5	Very high	93.7	Very high	113 Å²	113	49.8 Å²	49.8	53%	0.528	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-64.7	-15.8	177.1	66.6	-92.6	-137.9	0	0	113.8	L349 K689	L349-E351 WeakPolarHBondContact CA-OE2 3.27Å; L349-E351 PolarHBondContact O-N 2.53Å; L349-E351 VanDerWaalsContact O-N 3.11Å; E351-K689 IonicContact OE1-NZ 2.54Å
352	Y	95.1	Very high	93.5	Very high	41 Å²	41	52.4 Å²	52.4	16%	0.161	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-104	3.8	175.6	-59.6	-81.9	0	0	0	113.5	L349 N350 Y542 Y586	L349-Y352 HydrophobicContact CB-CD2 3.96Å; L349-Y352 PolarHBondContact O-N 3.49Å; N350-Y352 PolarHBondContact O-N 3.02Å; Y352-Y542 AromaticContact CD1-CD1 3.74Å; Y352-Y542 HydrophobicContact CD1-CD1 3.74Å; Y352-Y542 HydrophobicContact CD1-CD2 4.42Å; Y352-Y542 HydrophobicContact CD1-CE1 4.22Å; Y352-Y542 AromaticContact CD1-CG 3.83Å; Y352-Y542 HydrophobicContact CD1-CG 3.83Å; Y352-Y542 HydrophobicContact CD2-CD1 4.49Å; Y352-Y542 AromaticContact CD2-CD2 3.72Å; Y352-Y542 HydrophobicContact CD2-CD2 3.72Å; Y352-Y542 HydrophobicContact CD2-CE2 4.18Å; Y352-Y542 AromaticContact CD2-CG 3.87Å; Y352-Y542 HydrophobicContact CD2-CG 3.87Å; Y352-Y542 HydrophobicContact CE1-CD1 4.21Å; Y352-Y542 HydrophobicContact CE1-CG 4.05Å; Y352-Y542 HydrophobicContact CE2-CD2 4.16Å; Y352-Y542 HydrophobicContact CE2-CG 4.08Å; Y352-Y542 AromaticContact CG-CD1 3.89Å; Y352-Y542 HydrophobicContact CG-CD1 3.89Å; Y352-Y542 AromaticContact CG-CD2 3.85Å; Y352-Y542 HydrophobicContact CG-CD2 3.85Å; Y352-Y542 HydrophobicContact CG-CE1 4.12Å; Y352-Y542 HydrophobicContact CG-CE2 4.08Å; Y352-Y542 AromaticContact CG-CG 3.74Å; Y352-Y542 HydrophobicContact CG-CG 3.74Å; Y352-Y586 AromaticContact CE1-CD2 3.88Å; Y352-Y586 HydrophobicContact CE1-CD2 3.88Å; Y352-Y586 HydrophobicContact CE1-CG 4.38Å; Y352-Y586 AromaticContact CZ-CD2 3.91Å; Y352-Y586 WeakPolarHBondContact OH-CD2 3.36Å
353	V	95.2	Very high	93.2	Very high	16 Å²	16	53 Å²	53	10%	0.097	26%	0.261	C	S	.	.	S	Bend	trans	-62.8	138	169.3	176.1	0	0	0	0	109	G340 L341 P344 N350 Q355 Y357 Y432	G340-V353 CarbonylContact O-C 3.58Å; G340-V353 WeakPolarHBondContact O-CA 3.39Å; L341-V353 HydrophobicContact CD1-CG1 3.71Å; L341-V353 HydrophobicContact CD1-CG2 4.43Å; P344-V353 HydrophobicContact CB-CG2 4.03Å; P344-V353 HydrophobicContact CG-CB 4.42Å; P344-V353 HydrophobicContact CG-CG2 3.85Å; N350-V353 WeakPolarHBondContact O-CB 3.39Å; N350-V353 PolarHBondContact O-N 2.93Å; N350-V353 VanDerWaalsContact O-N 3.1Å; V353-Q355 PolarHBondContact O-N 2.82Å; V353-Y357 HydrophobicContact CG1-CD2 4.12Å; V353-Y432 WeakPolarHBondContact CG1-OH 3.15Å
354	A	93.9	Very high	92.9	Very high	18 Å²	18	54.9 Å²	54.9	15%	0.149	27%	0.274	C	S	.	.			trans	-53.8	120.8	179.3	0	0	0	0	0	110.9	G340 E356 Y357	G340-A354 PolarHBondContact O-N 3.09Å; A354-E356 VanDerWaalsContact CB-OE2 3.3Å; A354-E356 WeakPolarHBondContact CB-OE2 3.46Å; A354-E356 PolarHBondContact O-N 3.08Å; A354-Y357 HydrophobicContact CB-CD2 3.69Å; A354-Y357 HydrophobicContact CB-CE2 3.59Å; A354-Y357 HydrophobicContact CB-CG 4.38Å; A354-Y357 WeakPolarHBondContact O-CB 3.26Å; A354-Y357 PolarHBondContact O-N 3.11Å; A354-Y357 VanDerWaalsContact O-N 3.11Å
355	Q	91.7	Very high	92.4	Very high	120 Å²	120	57.6 Å²	57.6	56%	0.561	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-64.9	-23.4	-177.4	-66	-178.2	-18.2	0	0	111.7	V353 Y357 E358	V353-Q355 PolarHBondContact O-N 2.82Å; Q355-Y357 PolarHBondContact O-N 3.23Å; Q355-E358 WeakPolarHBondContact O-CG 3.25Å; Q355-E358 PolarHBondContact O-N 2.78Å
356	E	92.2	Very high	92.3	Very high	81 Å²	81	59.4 Å²	59.4	38%	0.379	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-62.1	-19.6	176.4	-56.8	80.6	-171.7	0	0	112.3	A354 E358 N359 I362	A354-E356 VanDerWaalsContact CB-OE2 3.3Å; A354-E356 WeakPolarHBondContact CB-OE2 3.46Å; A354-E356 PolarHBondContact O-N 3.08Å; E356-E358 VanDerWaalsContact C-N 3.27Å; E356-E358 PolarHBondContact O-N 3.3Å; E356-N359 WeakPolarHBondContact O-CB 3.43Å; E356-N359 PolarHBondContact O-N 2.98Å; E356-N359 VanDerWaalsContact O-N 3.1Å; E356-I362 HydrophobicContact CB-CD1 4.34Å; E356-I362 HydrophobicContact CB-CG2 4.22Å
357	Y	93.2	Very high	92.1	Very high	8 Å²	8	59.3 Å²	59.3	3%	0.031	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-79.7	-0.8	177	-62	-34.5	0	0	0	115.4	G336 I337 L341 V353 A354 Q355 N359 I362 L363 H366	G336-Y357 WeakPolarHBondContact CA-OH 3.06Å; G336-Y357 PolarHBondContact O-OH 2.79Å; G336-Y357 VanDerWaalsContact O-OH 3.11Å; I337-Y357 PolarHBondContact N-OH 3.07Å; I337-Y357 VanDerWaalsContact N-OH 3.11Å; L341-Y357 HydrophobicContact CB-CD2 4.08Å; L341-Y357 HydrophobicContact CB-CE2 3.64Å; L341-Y357 HydrophobicContact CD1-CD2 4.37Å; V353-Y357 HydrophobicContact CG1-CD2 4.12Å; A354-Y357 HydrophobicContact CB-CD2 3.69Å; A354-Y357 HydrophobicContact CB-CE2 3.59Å; A354-Y357 HydrophobicContact CB-CG 4.38Å; A354-Y357 WeakPolarHBondContact O-CB 3.26Å; A354-Y357 PolarHBondContact O-N 3.11Å; A354-Y357 VanDerWaalsContact O-N 3.11Å; Q355-Y357 PolarHBondContact O-N 3.23Å; Y357-N359 PolarHBondContact O-N 2.99Å; Y357-I362 HydrophobicContact CD1-CG2 4.38Å; Y357-I362 HydrophobicContact CE1-CG2 4.33Å; Y357-L363 HydrophobicContact CD1-CB 3.8Å; Y357-L363 HydrophobicContact CD1-CD1 3.66Å; Y357-L363 HydrophobicContact CD1-CG 4.33Å; Y357-L363 HydrophobicContact CD2-CD1 4.23Å; Y357-L363 HydrophobicContact CE1-CD1 4.07Å; Y357-L363 HydrophobicContact CG-CB 4.38Å; Y357-L363 HydrophobicContact CG-CD1 3.75Å; Y357-H366 HydrophobicContact CE1-CB 4.07Å; Y357-H366 AromaticContact CE1-CG 3.96Å; Y357-H366 AromaticContact CE1-ND1 3.4Å; Y357-H366 WeakPolarHBondContact CE1-ND1 3.09Å; Y357-H366 AromaticContact CZ-ND1 3.69Å; Y357-H366 PolarHBondContact OH-ND1 2.8Å; Y357-H366 VanDerWaalsContact OH-ND1 3.11Å
358	E	91	Very high	91.8	Very high	132 Å²	132	60.3 Å²	60.3	62%	0.617	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-67.1	-17.9	160.3	-59.9	-57.3	148.8	0	0	111.3	Q355 E356 P360 K431	Q355-E358 WeakPolarHBondContact O-CG 3.25Å; Q355-E358 PolarHBondContact O-N 2.78Å; E356-E358 VanDerWaalsContact C-N 3.27Å; E356-E358 PolarHBondContact O-N 3.3Å; E358-P360 WeakPolarHBondContact O-CD 3.34Å; E358-K431 IonicContact OE1-NZ 3.09Å; E358-K431 PolarHBondContact OE1-NZ 3.44Å; E358-K431 IonicContact OE2-NZ 3.16Å
359	N	91.4	Very high	91.6	Very high	65 Å²	65	56 Å²	56	35%	0.348	28%	0.281	S	S	.	.	S	Bend	trans	-91.7	111.9	169	-175.6	-21.9	0	0	0	110.6	E356 Y357 F361 I362 L363	E356-N359 WeakPolarHBondContact O-CB 3.43Å; E356-N359 PolarHBondContact O-N 2.98Å; E356-N359 VanDerWaalsContact O-N 3.1Å; Y357-N359 PolarHBondContact O-N 2.99Å; N359-F361 PolarHBondContact O-N 2.81Å; N359-F361 WeakPolarHBondContact OD1-CB 3.34Å; N359-F361 WeakPolarHBondContact OD1-CD2 3.46Å; N359-F361 PolarHBondContact OD1-N 3.3Å; N359-I362 HydrophobicContact CB-CB 4.38Å; N359-I362 HydrophobicContact CB-CD1 4.04Å; N359-I362 HydrophobicContact CB-CG1 4.19Å; N359-I362 PolarHBondContact O-N 3.38Å; N359-L363 PolarHBondContact O-N 2.57Å
360	P	87.3	Confident	91.6	Very high	86 Å²	86	55.3 Å²	55.3	56%	0.558	28%	0.277	S	S	*	.	H	α-helix	trans	-62.2	-27.2	-178.4	-24	34.9	0	0	0	114.6	E358 T364	E358-P360 WeakPolarHBondContact O-CD 3.34Å; P360-T364 VanDerWaalsContact O-CB 3.29Å; P360-T364 WeakPolarHBondContact O-CB 3.45Å; P360-T364 PolarHBondContact O-N 2.94Å; P360-T364 PolarHBondContact O-OG1 2.8Å
361	F	85.6	Confident	91.6	Very high	164 Å²	164	52.2 Å²	52.2	72%	0.719	26%	0.26	S	S	*	.	H	α-helix	trans	-67.6	-45.5	178.2	-67.5	-81.3	0	0	0	111	N359 T364 D365	N359-F361 PolarHBondContact O-N 2.81Å; N359-F361 WeakPolarHBondContact OD1-CB 3.34Å; N359-F361 WeakPolarHBondContact OD1-CD2 3.46Å; N359-F361 PolarHBondContact OD1-N 3.3Å; F361-T364 PolarHBondContact O-N 3.14Å; F361-D365 WeakPolarHBondContact O-CB 3.49Å; F361-D365 PolarHBondContact O-N 2.98Å
362	I	90.4	Very high	91.6	Very high	57 Å²	57	47.2 Å²	47.2	29%	0.292	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-44.7	177.4	-63.8	177	0	0	0	110.3	E356 Y357 N359 T364 D365 H366	E356-I362 HydrophobicContact CB-CD1 4.34Å; E356-I362 HydrophobicContact CB-CG2 4.22Å; Y357-I362 HydrophobicContact CD1-CG2 4.38Å; Y357-I362 HydrophobicContact CE1-CG2 4.33Å; N359-I362 HydrophobicContact CB-CB 4.38Å; N359-I362 HydrophobicContact CB-CD1 4.04Å; N359-I362 HydrophobicContact CB-CG1 4.19Å; N359-I362 PolarHBondContact O-N 3.38Å; I362-T364 VanDerWaalsContact C-N 3.34Å; I362-T364 PolarHBondContact O-N 2.92Å; I362-D365 PolarHBondContact O-N 2.86Å; I362-H366 WeakPolarHBondContact O-CB 3.41Å; I362-H366 PolarHBondContact O-CD2 2.83Å; I362-H366 PolarHBondContact O-N 2.74Å
363	L	92.2	Very high	91.5	Very high	16 Å²	16	45.3 Å²	45.3	8%	0.084	23%	0.229	C	C	.	.	H	α-helix	trans	-58.8	-45.7	177.9	178.1	63.8	0	0	0	111.8	I337 L341 Y357 N359 W367 Y432 M435	I337-L363 HydrophobicContact CD1-CD1 4.04Å; L341-L363 HydrophobicContact CD2-CD1 3.93Å; Y357-L363 HydrophobicContact CD1-CB 3.8Å; Y357-L363 HydrophobicContact CD1-CD1 3.66Å; Y357-L363 HydrophobicContact CD1-CG 4.33Å; Y357-L363 HydrophobicContact CD2-CD1 4.23Å; Y357-L363 HydrophobicContact CE1-CD1 4.07Å; Y357-L363 HydrophobicContact CG-CB 4.38Å; Y357-L363 HydrophobicContact CG-CD1 3.75Å; N359-L363 PolarHBondContact O-N 2.57Å; L363-W367 VanDerWaalsContact O-CB 3.28Å; L363-W367 WeakPolarHBondContact O-CB 3.42Å; L363-W367 PolarHBondContact O-N 3.48Å; L363-Y432 HydrophobicContact CD1-CD1 4.47Å; L363-Y432 HydrophobicContact CD2-CD1 3.93Å; L363-Y432 HydrophobicContact CD2-CE1 4.44Å; L363-M435 HydrophobicContact CD1-CE 4.4Å; L363-M435 HydrophobicContact CD1-SD 3.93Å; L363-M435 HydrophobicContact CD2-CE 3.92Å; L363-M435 HydrophobicContact CD2-SD 4.16Å; L363-M435 HydrophobicContact CG-CE 3.65Å; L363-M435 HydrophobicContact CG-SD 3.84Å
364	T	88.9	Confident	91.5	Very high	55 Å²	55	44.5 Å²	44.5	34%	0.337	23%	0.225	S	C	.	.	H	α-helix	trans	-64.2	-46	178.8	-60.6	0	0	0	0	112.1	P360 F361 I362 W367 H368	P360-T364 VanDerWaalsContact O-CB 3.29Å; P360-T364 WeakPolarHBondContact O-CB 3.45Å; P360-T364 PolarHBondContact O-N 2.94Å; P360-T364 PolarHBondContact O-OG1 2.8Å; F361-T364 PolarHBondContact O-N 3.14Å; I362-T364 VanDerWaalsContact C-N 3.34Å; I362-T364 PolarHBondContact O-N 2.92Å; T364-W367 WeakPolarHBondContact O-CB 3.39Å; T364-W367 PolarHBondContact O-N 2.98Å; T364-H368 WeakPolarHBondContact CG2-CE1 3.28Å; T364-H368 PolarHBondContact O-CD2 3.29Å; T364-H368 PolarHBondContact O-N 3.24Å; T364-H368 PolarHBondContact O-ND1 3.12Å
365	D	86.7	Confident	91.5	Very high	56 Å²	56	43.8 Å²	43.8	30%	0.299	22%	0.218	S	C	.	.	H	α-helix	trans	-60.2	-47.8	177.6	179.6	59.1	0	0	0	111.9	F361 I362 W367 H368 A369	F361-D365 WeakPolarHBondContact O-CB 3.49Å; F361-D365 PolarHBondContact O-N 2.98Å; I362-D365 PolarHBondContact O-N 2.86Å; D365-W367 VanDerWaalsContact C-N 3.31Å; D365-W367 PolarHBondContact O-N 2.85Å; D365-H368 WeakPolarHBondContact O-CB 3.41Å; D365-H368 PolarHBondContact O-N 3.35Å; D365-H368 VanDerWaalsContact O-N 3.17Å; D365-A369 PolarHBondContact O-N 3.09Å; D365-A369 VanDerWaalsContact O-N 3.07Å
366	H	92.9	Very high	91.6	Very high	39 Å²	39	38.2 Å²	38.2	18%	0.181	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-37.2	177.7	-72.7	-158.1	0	0	0	112.2	I332 I337 Y357 I362 A369 Y370	I332-H366 HydrophobicContact CG2-CB 3.9Å; I332-H366 WeakPolarHBondContact CG2-CD2 3.38Å; I337-H366 HydrophobicContact CD1-CB 3.99Å; I337-H366 VanDerWaalsContact CG1-C 3.42Å; I337-H366 HydrophobicContact CG1-CB 3.89Å; I337-H366 VanDerWaalsContact CG1-O 3.27Å; I337-H366 WeakPolarHBondContact CG1-O 3.33Å; Y357-H366 HydrophobicContact CE1-CB 4.07Å; Y357-H366 AromaticContact CE1-CG 3.96Å; Y357-H366 AromaticContact CE1-ND1 3.4Å; Y357-H366 WeakPolarHBondContact CE1-ND1 3.09Å; Y357-H366 AromaticContact CZ-ND1 3.69Å; Y357-H366 PolarHBondContact OH-ND1 2.8Å; Y357-H366 VanDerWaalsContact OH-ND1 3.11Å; I362-H366 WeakPolarHBondContact O-CB 3.41Å; I362-H366 PolarHBondContact O-CD2 2.83Å; I362-H366 PolarHBondContact O-N 2.74Å; H366-A369 PolarHBondContact O-N 2.86Å; H366-Y370 PolarHBondContact O-N 2.85Å
367	W	93.5	Very high	91.7	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.027	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-42.5	173.9	177.8	-112.1	0	0	0	112.1	I337 L363 T364 D365 A369 Y370 M371 L400 M435 I438 I439	I337-W367 HydrophobicContact CD1-CB 4.24Å; I337-W367 HydrophobicContact CD1-CE3 4.46Å; I337-W367 HydrophobicContact CG1-CE3 4.5Å; I337-W367 HydrophobicContact CG2-CE3 4.1Å; I337-W367 HydrophobicContact CG2-CZ3 4.28Å; L363-W367 VanDerWaalsContact O-CB 3.28Å; L363-W367 WeakPolarHBondContact O-CB 3.42Å; L363-W367 PolarHBondContact O-N 3.48Å; T364-W367 WeakPolarHBondContact O-CB 3.39Å; T364-W367 PolarHBondContact O-N 2.98Å; D365-W367 VanDerWaalsContact C-N 3.31Å; D365-W367 PolarHBondContact O-N 2.85Å; W367-A369 PolarHBondContact O-N 3.24Å; W367-Y370 AromaticContact CE3-CD1 3.95Å; W367-Y370 HydrophobicContact CE3-CD1 3.95Å; W367-Y370 HydrophobicContact CH2-CD1 4.1Å; W367-Y370 HydrophobicContact CH2-CE1 4.2Å; W367-Y370 AromaticContact CZ3-CD1 3.55Å; W367-Y370 HydrophobicContact CZ3-CD1 3.55Å; W367-Y370 AromaticContact CZ3-CE1 3.86Å; W367-Y370 HydrophobicContact CZ3-CE1 3.86Å; W367-Y370 HydrophobicContact CZ3-CG 4.43Å; W367-Y370 WeakPolarHBondContact O-CB 3.29Å; W367-Y370 PolarHBondContact O-N 3.04Å; W367-M371 HydrophobicContact CD2-CG 4.41Å; W367-M371 HydrophobicContact CG-SD 4.47Å; W367-M371 HydrophobicContact CZ2-CG 4.19Å; W367-M371 HydrophobicContact CZ2-SD 4.41Å; W367-M371 PolarHBondContact NE1-SD 3.41Å; W367-M371 WeakPolarHBondContact O-CG 3.41Å; W367-M371 PolarHBondContact O-N 2.88Å; W367-L400 HydrophobicContact CH2-CD1 4.14Å; W367-L400 HydrophobicContact CH2-CD2 4.39Å; W367-L400 HydrophobicContact CZ2-CD1 4.27Å; W367-M435 HydrophobicContact CB-CE 3.93Å; W367-M435 HydrophobicContact CB-CG 4.44Å; W367-M435 HydrophobicContact CB-SD 3.69Å; W367-M435 HydrophobicContact CD2-CB 3.93Å; W367-M435 HydrophobicContact CD2-CG 3.64Å; W367-M435 HydrophobicContact CD2-SD 3.89Å; W367-M435 HydrophobicContact CE3-CB 4.01Å; W367-M435 HydrophobicContact CE3-CG 4.14Å; W367-M435 HydrophobicContact CE3-SD 4.2Å; W367-M435 HydrophobicContact CG-CE 4.07Å; W367-M435 HydrophobicContact CG-CG 3.75Å; W367-M435 HydrophobicContact CG-SD 3.65Å; W367-M435 HydrophobicContact CH2-CB 4.18Å; W367-M435 HydrophobicContact CZ2-CB 4.1Å; W367-M435 HydrophobicContact CZ2-CG 4.43Å; W367-M435 HydrophobicContact CZ3-CB 4.14Å; W367-I438 HydrophobicContact CZ2-CB 4.22Å; W367-I438 HydrophobicContact CZ2-CD1 4.26Å; W367-I438 HydrophobicContact CZ2-CG2 4.02Å; W367-I439 HydrophobicContact CH2-CD1 4.35Å; W367-I439 HydrophobicContact CH2-CG1 4.04Å; W367-I439 HydrophobicContact CZ3-CD1 4.28Å; W367-I439 HydrophobicContact CZ3-CG1 4.45Å
368	H	90.6	Very high	91.8	Very high	22 Å²	22	34 Å²	34	10%	0.102	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-41.3	176.1	-62.9	164	0	0	0	112	L108 T364 D365 Y370 M371 R372	L108-H368 HydrophobicContact CD1-CB 4.18Å; L108-H368 WeakPolarHBondContact CD1-CD2 3.23Å; T364-H368 WeakPolarHBondContact CG2-CE1 3.28Å; T364-H368 PolarHBondContact O-CD2 3.29Å; T364-H368 PolarHBondContact O-N 3.24Å; T364-H368 PolarHBondContact O-ND1 3.12Å; D365-H368 WeakPolarHBondContact O-CB 3.41Å; D365-H368 PolarHBondContact O-N 3.35Å; D365-H368 VanDerWaalsContact O-N 3.17Å; H368-Y370 VanDerWaalsContact C-N 3.33Å; H368-Y370 PolarHBondContact O-N 3.4Å; H368-M371 WeakPolarHBondContact O-CB 3.31Å; H368-M371 PolarHBondContact O-N 2.96Å; H368-R372 WeakPolarHBondContact O-CG 3.49Å; H368-R372 PolarHBondContact O-N 3.48Å
369	A	90.6	Very high	91.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.3	-43.6	173	0	0	0	0	0	112	I332 D365 H366 W367 M371 R372 V373	I332-A369 HydrophobicContact CB-CB 4.14Å; I332-A369 HydrophobicContact CG2-CB 3.65Å; D365-A369 PolarHBondContact O-N 3.09Å; D365-A369 VanDerWaalsContact O-N 3.07Å; H366-A369 PolarHBondContact O-N 2.86Å; W367-A369 PolarHBondContact O-N 3.24Å; A369-M371 VanDerWaalsContact C-N 3.34Å; A369-M371 PolarHBondContact O-N 2.78Å; A369-R372 PolarHBondContact O-N 2.96Å; A369-V373 WeakPolarHBondContact O-CG2 3.43Å; A369-V373 PolarHBondContact O-N 2.86Å
370	Y	94.8	Very high	91.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-42.8	174.7	179.3	-93.4	0	0	0	112.8	Y333 I337 L342 H366 W367 H368 N374 Y396 H397 T399 L400	Y333-Y370 HydrophobicContact CD2-CD2 4.42Å; I337-Y370 HydrophobicContact CB-CD2 4.04Å; I337-Y370 HydrophobicContact CB-CG 4.1Å; I337-Y370 HydrophobicContact CG2-CD1 4.23Å; I337-Y370 HydrophobicContact CG2-CD2 3.69Å; I337-Y370 HydrophobicContact CG2-CE2 4.25Å; I337-Y370 HydrophobicContact CG2-CG 3.71Å; L342-Y370 HydrophobicContact CD1-CE2 4.13Å; H366-Y370 PolarHBondContact O-N 2.85Å; W367-Y370 AromaticContact CE3-CD1 3.95Å; W367-Y370 HydrophobicContact CE3-CD1 3.95Å; W367-Y370 HydrophobicContact CH2-CD1 4.1Å; W367-Y370 HydrophobicContact CH2-CE1 4.2Å; W367-Y370 AromaticContact CZ3-CD1 3.55Å; W367-Y370 HydrophobicContact CZ3-CD1 3.55Å; W367-Y370 AromaticContact CZ3-CE1 3.86Å; W367-Y370 HydrophobicContact CZ3-CE1 3.86Å; W367-Y370 HydrophobicContact CZ3-CG 4.43Å; W367-Y370 WeakPolarHBondContact O-CB 3.29Å; W367-Y370 PolarHBondContact O-N 3.04Å; H368-Y370 VanDerWaalsContact C-N 3.33Å; H368-Y370 PolarHBondContact O-N 3.4Å; Y370-N374 PolarHBondContact O-N 3.35Å; Y370-N374 VanDerWaalsContact O-N 3.11Å; Y370-N374 PolarHBondContact O-ND2 2.97Å; Y370-Y396 PolarHBondContact OH-O 2.65Å; Y370-H397 WeakPolarHBondContact CE2-O 3.45Å; Y370-H397 VanDerWaalsContact OH-C 3.3Å; Y370-H397 PolarHBondContact OH-O 3.38Å; Y370-T399 PolarHBondContact OH-N 2.93Å; Y370-T399 PolarHBondContact OH-OG1 3.17Å; Y370-L400 HydrophobicContact CD1-CD1 3.95Å; Y370-L400 HydrophobicContact CE1-CD1 3.77Å; Y370-L400 HydrophobicContact CE1-CG 3.87Å
371	M	94	Very high	92.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64	-44.6	175	-70	175.9	74.5	0	0	112.6	L108 L154 I157 V158 W367 H368 A369 V373 N374 F375 L400	L108-M371 HydrophobicContact CD1-SD 4.46Å; L154-M371 HydrophobicContact CB-CE 3.75Å; L154-M371 HydrophobicContact CD1-CB 4.05Å; L154-M371 HydrophobicContact CD2-CB 3.96Å; L154-M371 HydrophobicContact CD2-CE 4.12Å; L154-M371 HydrophobicContact CG-CE 4.34Å; L154-M371 WeakPolarHBondContact O-CE 3.49Å; I157-M371 HydrophobicContact CB-CE 4.11Å; I157-M371 HydrophobicContact CG2-CE 3.88Å; V158-M371 HydrophobicContact CG2-CE 3.6Å; V158-M371 HydrophobicContact CG2-SD 4.15Å; W367-M371 HydrophobicContact CD2-CG 4.41Å; W367-M371 HydrophobicContact CG-SD 4.47Å; W367-M371 HydrophobicContact CZ2-CG 4.19Å; W367-M371 HydrophobicContact CZ2-SD 4.41Å; W367-M371 PolarHBondContact NE1-SD 3.41Å; W367-M371 WeakPolarHBondContact O-CG 3.41Å; W367-M371 PolarHBondContact O-N 2.88Å; H368-M371 WeakPolarHBondContact O-CB 3.31Å; H368-M371 PolarHBondContact O-N 2.96Å; A369-M371 VanDerWaalsContact C-N 3.34Å; A369-M371 PolarHBondContact O-N 2.78Å; M371-V373 PolarHBondContact O-N 3.47Å; M371-N374 PolarHBondContact O-N 2.78Å; M371-F375 PolarHBondContact O-N 3.19Å; M371-L400 HydrophobicContact CB-CD1 4.42Å; M371-L400 HydrophobicContact CG-CD1 3.78Å
372	R	91.6	Very high	92.4	Very high	9 Å²	9	13.8 Å²	13.8	3%	0.034	7%	0.072	C	C	.	.	H	α-helix	trans	-60.2	-44.3	177.6	-70.4	-167	-68.9	-93.1	2.5	111.9	L105 L154 D329 H368 A369 N374 F375 Y376	L105-R372 PolarHBondContact O-NH1 2.84Å; L154-R372 HydrophobicContact CD1-CG 3.87Å; D329-R372 IonicContact OD1-CZ 2.74Å; D329-R372 IonicContact OD1-NE 2.71Å; D329-R372 PolarHBondContact OD1-NE 3.17Å; D329-R372 VanDerWaalsContact OD1-NE 3.16Å; D329-R372 IonicContact OD1-NH2 3.57Å; D329-R372 PolarHBondContact OD1-NH2 3.38Å; D329-R372 IonicContact OD2-CZ 3.02Å; D329-R372 IonicContact OD2-NE 3.65Å; D329-R372 PolarHBondContact OD2-NE 3.08Å; H368-R372 WeakPolarHBondContact O-CG 3.49Å; H368-R372 PolarHBondContact O-N 3.48Å; A369-R372 PolarHBondContact O-N 2.96Å; R372-N374 PolarHBondContact O-N 3.02Å; R372-F375 WeakPolarHBondContact O-CA 3.32Å; R372-F375 VanDerWaalsContact O-CB 3.3Å; R372-F375 WeakPolarHBondContact O-CB 3.32Å; R372-F375 PolarHBondContact O-N 3.12Å; R372-F375 VanDerWaalsContact O-N 3.12Å; R372-Y376 HydrophobicContact CB-CE2 4.22Å; R372-Y376 WeakPolarHBondContact O-CD2 3.5Å; R372-Y376 VanDerWaalsContact O-CG 3.3Å; R372-Y376 PolarHBondContact O-N 2.93Å
373	V	93	Very high	92.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.2	-45.4	178.2	174	0	0	0	0	111.1	V325 D329 Y333 A369 M371 F375 Y376 F377	V325-V373 HydrophobicContact CG1-CG2 3.75Å; V325-V373 HydrophobicContact CG2-CG1 4.24Å; D329-V373 HydrophobicContact CB-CG2 4.16Å; Y333-V373 HydrophobicContact CD1-CB 3.97Å; Y333-V373 HydrophobicContact CD1-CG1 3.87Å; Y333-V373 HydrophobicContact CD1-CG2 3.24Å; Y333-V373 HydrophobicContact CD2-CB 4.48Å; Y333-V373 HydrophobicContact CD2-CG1 4.16Å; Y333-V373 HydrophobicContact CE1-CB 4.3Å; Y333-V373 HydrophobicContact CE1-CG1 3.7Å; Y333-V373 HydrophobicContact CE1-CG2 3.8Å; Y333-V373 HydrophobicContact CE2-CG1 4.03Å; Y333-V373 HydrophobicContact CG-CB 4.1Å; Y333-V373 HydrophobicContact CG-CG1 4.13Å; Y333-V373 HydrophobicContact CG-CG2 3.69Å; A369-V373 WeakPolarHBondContact O-CG2 3.43Å; A369-V373 PolarHBondContact O-N 2.86Å; M371-V373 PolarHBondContact O-N 3.47Å; V373-F375 PolarHBondContact O-N 3.08Å; V373-Y376 PolarHBondContact O-N 3.44Å; V373-Y376 VanDerWaalsContact O-N 3.1Å; V373-F377 HydrophobicContact CG1-CD2 3.94Å; V373-F377 HydrophobicContact CG1-CE2 3.92Å; V373-F377 WeakPolarHBondContact O-CD2 3.15Å; V373-F377 PolarHBondContact O-N 2.88Å
374	N	96.3	Very high	91.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.7	-37.2	174.3	-86.8	-103.7	0	0	0	111.9	Y370 M371 R372 A378 H397 L398 T399 L400 V401 I404	Y370-N374 PolarHBondContact O-N 3.35Å; Y370-N374 VanDerWaalsContact O-N 3.11Å; Y370-N374 PolarHBondContact O-ND2 2.97Å; M371-N374 PolarHBondContact O-N 2.78Å; R372-N374 PolarHBondContact O-N 3.02Å; N374-A378 WeakPolarHBondContact O-CB 3.42Å; N374-A378 PolarHBondContact O-N 3.07Å; N374-H397 PolarHBondContact ND2-O 3.17Å; N374-L398 WeakPolarHBondContact OD1-CA 3Å; N374-L398 PolarHBondContact OD1-O 3.04Å; N374-T399 PolarHBondContact OD1-N 3.23Å; N374-L400 HydrophobicContact CB-CB 3.86Å; N374-L400 HydrophobicContact CB-CD1 4.45Å; N374-L400 HydrophobicContact CB-CG 4.49Å; N374-L400 WeakPolarHBondContact OD1-CB 3.46Å; N374-L400 PolarHBondContact OD1-N 3.2Å; N374-V401 HydrophobicContact CB-CG2 4.43Å; N374-V401 PolarHBondContact OD1-N 2.97Å; N374-I404 HydrophobicContact CB-CD1 4.08Å
375	F	94.5	Very high	91.7	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.009	7%	0.066	C	C	.	.	H	α-helix	trans	-63.4	-44	173.5	179.4	-91.3	0	0	0	112.3	Q150 T153 L154 I178 M371 R372 V373 F377 A378 V379 I404	Q150-F375 VanDerWaalsContact CA-CZ 3.44Å; Q150-F375 HydrophobicContact CB-CD1 3.97Å; Q150-F375 HydrophobicContact CB-CE1 3.54Å; Q150-F375 HydrophobicContact CB-CE2 4.29Å; Q150-F375 HydrophobicContact CB-CG 4.5Å; Q150-F375 HydrophobicContact CB-CZ 3.72Å; Q150-F375 HydrophobicContact CG-CD1 3.65Å; Q150-F375 HydrophobicContact CG-CD2 4.49Å; Q150-F375 HydrophobicContact CG-CE1 3.79Å; Q150-F375 HydrophobicContact CG-CG 4.03Å; Q150-F375 HydrophobicContact CG-CZ 4.29Å; T153-F375 HydrophobicContact CG2-CD2 3.96Å; T153-F375 HydrophobicContact CG2-CE2 4.12Å; L154-F375 HydrophobicContact CD2-CB 4.23Å; I178-F375 HydrophobicContact CD1-CZ 3.94Å; M371-F375 PolarHBondContact O-N 3.19Å; R372-F375 WeakPolarHBondContact O-CA 3.32Å; R372-F375 VanDerWaalsContact O-CB 3.3Å; R372-F375 WeakPolarHBondContact O-CB 3.32Å; R372-F375 PolarHBondContact O-N 3.12Å; R372-F375 VanDerWaalsContact O-N 3.12Å; V373-F375 PolarHBondContact O-N 3.08Å; F375-F377 PolarHBondContact O-N 2.92Å; F375-A378 PolarHBondContact O-N 3.45Å; F375-V379 HydrophobicContact CD1-CG2 3.95Å; F375-V379 HydrophobicContact CD2-CG2 4.28Å; F375-V379 HydrophobicContact CE1-CG2 3.52Å; F375-V379 HydrophobicContact CE2-CG2 3.88Å; F375-V379 HydrophobicContact CG-CG2 4.31Å; F375-V379 HydrophobicContact CZ-CG2 3.48Å; F375-V379 VanDerWaalsContact CZ-CG2 3.48Å; F375-V379 WeakPolarHBondContact O-CG2 3.32Å; F375-V379 PolarHBondContact O-N 3.32Å; F375-I404 HydrophobicContact CB-CD1 4.1Å; F375-I404 HydrophobicContact CD2-CG2 3.99Å
376	Y	92.9	Very high	91.2	Very high	3 Å²	3	12.4 Å²	12.4	1%	0.012	6%	0.061	C	C	.	.	H	α-helix	trans	-60.3	-46.2	177	-59.3	-31.2	0	0	0	112.3	Q150 R289 P326 R372 V373 A378 V379 D380	Q150-Y376 PolarHBondContact NE2-OH 3.04Å; R289-Y376 HydrophobicContact CB-CE1 4.29Å; R289-Y376 HydrophobicContact CG-CD1 3.89Å; R289-Y376 HydrophobicContact CG-CE1 3.59Å; R289-Y376 HydrophobicContact CG-CG 4.48Å; P326-Y376 HydrophobicContact CG-CE2 4.47Å; R372-Y376 HydrophobicContact CB-CE2 4.22Å; R372-Y376 WeakPolarHBondContact O-CD2 3.5Å; R372-Y376 VanDerWaalsContact O-CG 3.3Å; R372-Y376 PolarHBondContact O-N 2.93Å; V373-Y376 PolarHBondContact O-N 3.44Å; V373-Y376 VanDerWaalsContact O-N 3.1Å; Y376-A378 VanDerWaalsContact C-N 3.35Å; Y376-A378 PolarHBondContact O-N 2.91Å; Y376-V379 PolarHBondContact O-N 3.06Å; Y376-D380 PolarHBondContact O-N 2.91Å
377	F	95.2	Very high	90.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.8	-43.7	173.6	-86.9	-86.1	0	0	0	112.5	I232 C276 V323 V373 F375 A381 L398 V401	I232-F377 HydrophobicContact CG2-CB 4.4Å; I232-F377 HydrophobicContact CG2-CD1 3.52Å; I232-F377 HydrophobicContact CG2-CE1 4.22Å; I232-F377 HydrophobicContact CG2-CG 4.38Å; C276-F377 HydrophobicContact CB-CE2 4.18Å; C276-F377 HydrophobicContact CB-CZ 3.62Å; V323-F377 HydrophobicContact CB-CD1 4.14Å; V323-F377 HydrophobicContact CB-CE1 4.01Å; V323-F377 HydrophobicContact CB-CE2 4.43Å; V323-F377 HydrophobicContact CB-CG 4.43Å; V323-F377 HydrophobicContact CB-CZ 4.18Å; V323-F377 HydrophobicContact CG1-CD1 4.21Å; V323-F377 HydrophobicContact CG1-CD2 3.93Å; V323-F377 HydrophobicContact CG1-CE1 4.4Å; V323-F377 HydrophobicContact CG1-CE2 4.11Å; V323-F377 HydrophobicContact CG1-CG 4Å; V323-F377 HydrophobicContact CG1-CZ 4.36Å; V323-F377 HydrophobicContact CG2-CD1 3.64Å; V323-F377 HydrophobicContact CG2-CE1 3.79Å; V323-F377 HydrophobicContact CG2-CG 4.2Å; V323-F377 HydrophobicContact CG2-CZ 4.46Å; V373-F377 HydrophobicContact CG1-CD2 3.94Å; V373-F377 HydrophobicContact CG1-CE2 3.92Å; V373-F377 WeakPolarHBondContact O-CD2 3.15Å; V373-F377 PolarHBondContact O-N 2.88Å; F375-F377 PolarHBondContact O-N 2.92Å; F377-A381 VanDerWaalsContact O-CB 3.28Å; F377-A381 WeakPolarHBondContact O-CB 3.43Å; F377-A381 PolarHBondContact O-N 3.31Å; F377-L398 HydrophobicContact CB-CD2 4.13Å; F377-L398 HydrophobicContact CD1-CD1 4.01Å; F377-L398 HydrophobicContact CD1-CD2 4.14Å; F377-L398 HydrophobicContact CD2-CD2 3.44Å; F377-L398 VanDerWaalsContact CD2-CD2 3.44Å; F377-L398 HydrophobicContact CE1-CD1 4.09Å; F377-L398 HydrophobicContact CE1-CD2 4.4Å; F377-L398 HydrophobicContact CE2-CD2 3.75Å; F377-L398 HydrophobicContact CG-CD1 4.32Å; F377-L398 HydrophobicContact CG-CD2 3.64Å; F377-L398 HydrophobicContact CZ-CD1 4.47Å; F377-L398 HydrophobicContact CZ-CD2 4.2Å; F377-V401 HydrophobicContact CB-CG2 4.03Å
378	A	95.4	Very high	89.2	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.2	-43.4	-179.8	0	0	0	0	0	112.6	N374 F375 Y376 A381 L382 V401 I404 I405	N374-A378 WeakPolarHBondContact O-CB 3.42Å; N374-A378 PolarHBondContact O-N 3.07Å; F375-A378 PolarHBondContact O-N 3.45Å; Y376-A378 VanDerWaalsContact C-N 3.35Å; Y376-A378 PolarHBondContact O-N 2.91Å; A378-A381 PolarHBondContact O-N 2.93Å; A378-L382 WeakPolarHBondContact O-CB 3.38Å; A378-L382 VanDerWaalsContact O-CG 3.24Å; A378-L382 WeakPolarHBondContact O-CG 3.24Å; A378-L382 PolarHBondContact O-N 3.06Å; A378-V401 HydrophobicContact CB-CG1 4.28Å; A378-I404 HydrophobicContact CB-CB 3.67Å; A378-I404 HydrophobicContact CB-CD1 4.35Å; A378-I404 HydrophobicContact CB-CG2 3.38Å; A378-I405 HydrophobicContact CB-CD1 4.5Å; A378-I405 HydrophobicContact CB-CG1 3.83Å
379	V	91.6	Very high	88.9	Confident	2 Å²	2	15.1 Å²	15.1	1%	0.012	8%	0.078	C	C	.	.	H	α-helix	trans	-65.8	-45.5	178.5	170.2	0	0	0	0	111.2	I178 F375 Y376 A381 L382 R383	I178-V379 HydrophobicContact CD1-CG2 4.25Å; I178-V379 HydrophobicContact CG2-CG1 4.25Å; I178-V379 HydrophobicContact CG2-CG2 3.95Å; F375-V379 HydrophobicContact CD1-CG2 3.95Å; F375-V379 HydrophobicContact CD2-CG2 4.28Å; F375-V379 HydrophobicContact CE1-CG2 3.52Å; F375-V379 HydrophobicContact CE2-CG2 3.88Å; F375-V379 HydrophobicContact CG-CG2 4.31Å; F375-V379 HydrophobicContact CZ-CG2 3.48Å; F375-V379 VanDerWaalsContact CZ-CG2 3.48Å; F375-V379 WeakPolarHBondContact O-CG2 3.32Å; F375-V379 PolarHBondContact O-N 3.32Å; Y376-V379 PolarHBondContact O-N 3.06Å; V379-A381 VanDerWaalsContact C-N 3.3Å; V379-A381 PolarHBondContact O-N 2.79Å; V379-L382 WeakPolarHBondContact O-CB 3.48Å; V379-L382 PolarHBondContact O-N 2.74Å; V379-R383 VanDerWaalsContact CG1-CZ 3.45Å; V379-R383 WeakPolarHBondContact O-CG 3.41Å; V379-R383 PolarHBondContact O-N 3.26Å; V379-R383 VanDerWaalsContact O-N 3.09Å
380	D	91.6	Very high	88.8	Confident	19 Å²	19	16.8 Å²	16.8	10%	0.102	9%	0.085	C	C	.	.	H	α-helix	trans	-64.4	-38.3	178.1	-70.6	-14.3	0	0	0	111.1	L274 R289 V323 Y376 R383 K384	L274-D380 HydrophobicContact CD2-CB 3.78Å; R289-D380 IonicContact CZ-OD1 3.96Å; R289-D380 IonicContact CZ-OD2 2.74Å; R289-D380 IonicContact NH1-OD1 3.26Å; R289-D380 IonicContact NH1-OD2 2.72Å; R289-D380 PolarHBondContact NH1-OD2 2.74Å; R289-D380 IonicContact NH2-OD1 2.71Å; R289-D380 PolarHBondContact NH2-OD1 3.33Å; R289-D380 IonicContact NH2-OD2 3.47Å; R289-D380 PolarHBondContact NH2-OD2 2.64Å; V323-D380 HydrophobicContact CG2-CB 4.11Å; Y376-D380 PolarHBondContact O-N 2.91Å; D380-R383 PolarHBondContact O-N 2.74Å; D380-K384 WeakPolarHBondContact O-CG 3.34Å; D380-K384 PolarHBondContact O-N 2.93Å
381	A	93	Very high	88.7	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-45.3	173.2	0	0	0	0	0	112.1	I232 L274 F377 A378 V379 R383 K384 C385 L391 I405	I232-A381 HydrophobicContact CD1-CB 3.5Å; I232-A381 HydrophobicContact CG1-CB 4.47Å; L274-A381 HydrophobicContact CD2-CB 4.15Å; F377-A381 VanDerWaalsContact O-CB 3.28Å; F377-A381 WeakPolarHBondContact O-CB 3.43Å; F377-A381 PolarHBondContact O-N 3.31Å; A378-A381 PolarHBondContact O-N 2.93Å; V379-A381 VanDerWaalsContact C-N 3.3Å; V379-A381 PolarHBondContact O-N 2.79Å; A381-R383 VanDerWaalsContact C-N 3.25Å; A381-R383 PolarHBondContact O-N 2.83Å; A381-K384 PolarHBondContact O-N 2.98Å; A381-K384 VanDerWaalsContact O-N 3.15Å; A381-C385 VanDerWaalsContact O-CB 3.28Å; A381-C385 WeakPolarHBondContact O-CB 3.38Å; A381-C385 PolarHBondContact O-N 2.81Å; A381-C385 PolarHBondContact O-SG 3.27Å; A381-C385 VanDerWaalsContact O-SG 3.37Å; A381-L391 HydrophobicContact CB-CD2 4.12Å; A381-I405 HydrophobicContact CB-CD1 4.26Å
382	L	90.6	Very high	88.8	Confident	3 Å²	3	16.8 Å²	16.8	2%	0.016	9%	0.085	C	C	.	.	H	α-helix	trans	-58.7	-36.3	178.8	-78.9	166.3	0	0	0	113	I178 L179 A378 V379 I405 Y408 K409	I178-L382 HydrophobicContact CG2-CD1 4.09Å; L179-L382 HydrophobicContact CD2-CB 4.2Å; L179-L382 HydrophobicContact CD2-CD2 4.3Å; A378-L382 WeakPolarHBondContact O-CB 3.38Å; A378-L382 VanDerWaalsContact O-CG 3.24Å; A378-L382 WeakPolarHBondContact O-CG 3.24Å; A378-L382 PolarHBondContact O-N 3.06Å; V379-L382 WeakPolarHBondContact O-CB 3.48Å; V379-L382 PolarHBondContact O-N 2.74Å; L382-I405 HydrophobicContact CD2-CB 4.48Å; L382-I405 HydrophobicContact CD2-CG2 3.97Å; L382-I405 HydrophobicContact CG-CG1 4.22Å; L382-Y408 HydrophobicContact CD1-CD2 3.55Å; L382-Y408 HydrophobicContact CD1-CE2 4.42Å; L382-Y408 HydrophobicContact CD1-CG 3.68Å; L382-K409 HydrophobicContact CD2-CB 4.11Å; L382-K409 HydrophobicContact CD2-CD 3.9Å; L382-K409 HydrophobicContact CD2-CG 3.84Å
383	R	87.4	Confident	89	Confident	45 Å²	45	16.3 Å²	16.3	17%	0.17	8%	0.083	C	C	.	.	H	α-helix	trans	-75.4	-24.4	179.5	-70.2	170.7	-179.6	179	1.6	113.4	I178 E181 V379 D380 A381	I178-R383 WeakPolarHBondContact O-CG 3.31Å; I178-R383 PolarHBondContact O-NE 2.64Å; E181-R383 VanDerWaalsContact CG-NH1 3.34Å; E181-R383 WeakPolarHBondContact OE1-CD 3.48Å; E181-R383 IonicContact OE1-CZ 3.46Å; E181-R383 IonicContact OE1-NE 3.46Å; E181-R383 IonicContact OE1-NH1 3.54Å; E181-R383 PolarHBondContact OE1-NH1 3.15Å; V379-R383 VanDerWaalsContact CG1-CZ 3.45Å; V379-R383 WeakPolarHBondContact O-CG 3.41Å; V379-R383 PolarHBondContact O-N 3.26Å; V379-R383 VanDerWaalsContact O-N 3.09Å; D380-R383 PolarHBondContact O-N 2.74Å; A381-R383 VanDerWaalsContact C-N 3.25Å; A381-R383 PolarHBondContact O-N 2.83Å
384	K	85.7	Confident	89.1	Confident	81 Å²	81	16.4 Å²	16.4	35%	0.352	8%	0.084	S	C	.	.	H	α-helix	trans	-103.4	-11.8	-178.1	-57.7	-56.1	179.5	-170.3	0	113.7	R228 Y321 D380 A381	R228-K384 PolarHBondContact NH2-O 2.9Å; Y321-K384 HydrophobicContact CD1-CD 4.37Å; Y321-K384 HydrophobicContact CD2-CG 4.46Å; Y321-K384 HydrophobicContact CE1-CD 4.12Å; Y321-K384 HydrophobicContact CE2-CD 4.48Å; Y321-K384 HydrophobicContact CG-CG 4.48Å; D380-K384 WeakPolarHBondContact O-CG 3.34Å; D380-K384 PolarHBondContact O-N 2.93Å; A381-K384 PolarHBondContact O-N 2.98Å; A381-K384 VanDerWaalsContact O-N 3.15Å
385	C	84.1	Confident	89.1	Confident	10 Å²	10	17.4 Å²	17.4	7%	0.068	9%	0.089	C	C	.	.			trans	-95.3	138.4	-178.2	80	0	0	0	0	113.9	V230 A381 D389 L391 K409 I412	V230-C385 HydrophobicContact CG2-CB 4.4Å; A381-C385 VanDerWaalsContact O-CB 3.28Å; A381-C385 WeakPolarHBondContact O-CB 3.38Å; A381-C385 PolarHBondContact O-N 2.81Å; A381-C385 PolarHBondContact O-SG 3.27Å; A381-C385 VanDerWaalsContact O-SG 3.37Å; C385-D389 WeakPolarHBondContact CA-OD2 3.33Å; C385-D389 HydrophobicContact CB-CB 4.35Å; C385-L391 HydrophobicContact CB-CD1 3.82Å; C385-L391 HydrophobicContact CB-CD2 4.41Å; C385-L391 HydrophobicContact CB-CG 4.47Å; C385-K409 PolarHBondContact O-NZ 2.85Å; C385-I412 HydrophobicContact CB-CD1 4.23Å; C385-I412 WeakPolarHBondContact SG-CD1 3.41Å
386	G	75	Confident	89.2	Confident	19 Å²	19	17.3 Å²	17.3	20%	0.196	9%	0.089	C	C	.	.			trans	-77.3	178.5	166.7	0	0	0	0	0	112.1	L388 D389	G386-L388 VanDerWaalsContact C-N 3.34Å; G386-D389 PolarHBondContact N-OD2 3.44Å
387	N	72.8	Confident	89.3	Confident	90 Å²	90	17.6 Å²	17.6	48%	0.481	9%	0.09	S	C	.	.	S	Bend	trans	-78.2	-19.4	-178.9	-67.3	-41.5	0	0	0	113.8
388	L	72.3	Confident	89.4	Confident	33 Å²	33	17.6 Å²	17.6	17%	0.173	9%	0.09	C	C	.	.	S	Bend	trans	-104.7	-0.6	-178.6	-57.9	-178.1	0	0	0	113.4	E225 A227 G386 L775 R778	E225-L388 HydrophobicContact CB-CD1 4.11Å; A227-L388 HydrophobicContact CB-CB 4.48Å; A227-L388 WeakPolarHBondContact CB-O 3.14Å; G386-L388 VanDerWaalsContact C-N 3.34Å; L388-L775 WeakPolarHBondContact CD1-O 3.17Å; L388-R778 HydrophobicContact CD2-CG 4.35Å
389	D	84.8	Confident	89.5	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.011	9%	0.092	C	C	.	.			trans	-70.6	151.4	-179.8	-71.3	-11.6	0	0	0	111.8	R228 V230 C385 G386 L391	R228-D389 VanDerWaalsContact CB-OD1 3.32Å; R228-D389 WeakPolarHBondContact CB-OD1 3.4Å; R228-D389 IonicContact CZ-OD2 3.06Å; R228-D389 PolarHBondContact N-OD1 3.3Å; R228-D389 IonicContact NE-OD1 3.95Å; R228-D389 PolarHBondContact NE-OD1 3.49Å; R228-D389 IonicContact NE-OD2 3.97Å; R228-D389 PolarHBondContact NE-OD2 3.27Å; R228-D389 IonicContact NH2-OD1 3.95Å; R228-D389 IonicContact NH2-OD2 2.9Å; R228-D389 PolarHBondContact NH2-OD2 3.43Å; R228-D389 WeakPolarHBondContact O-CA 3.33Å; V230-D389 HydrophobicContact CG2-CB 3.95Å; C385-D389 WeakPolarHBondContact CA-OD2 3.33Å; C385-D389 HydrophobicContact CB-CB 4.35Å; G386-D389 PolarHBondContact N-OD2 3.44Å; D389-L391 HydrophobicContact CB-CD1 4.09Å
390	F	88.1	Confident	89.8	Confident	34 Å²	34	17.8 Å²	17.8	15%	0.149	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.6	170.6	-178.8	-101.6	0	0	0	109.9	R228 L229 V230 W392 E413 Y732 L733	R228-F390 PolarHBondContact O-N 3.03Å; L229-F390 HydrophobicContact CD1-CD1 3.67Å; L229-F390 HydrophobicContact CD1-CE1 4.41Å; V230-F390 PolarHBondContact N-O 2.9Å; F390-W392 HydrophobicContact CD1-CB 4.17Å; F390-W392 HydrophobicContact CE1-CB 3.92Å; F390-W392 HydrophobicContact CE1-CG 4.21Å; F390-E413 HydrophobicContact CD2-CB 3.86Å; F390-Y732 HydrophobicContact CE1-CE1 4.36Å; F390-Y732 HydrophobicContact CZ-CE1 4.42Å; F390-L733 HydrophobicContact CD1-CD2 4.18Å; F390-L733 HydrophobicContact CE1-CD2 3.83Å
391	L	93.5	Very high	90	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	113	-179.4	-80.2	67.1	0	0	0	109.8	V230 I232 A381 C385 D389 I405 I412 E413 T414 G415	V230-L391 HydrophobicContact CB-CD1 4.29Å; V230-L391 HydrophobicContact CB-CG 4.09Å; V230-L391 HydrophobicContact CG1-CG 4.26Å; V230-L391 HydrophobicContact CG2-CD1 4.43Å; V230-L391 CarbonylContact O-C 3.56Å; V230-L391 WeakPolarHBondContact O-CA 3.34Å; I232-L391 HydrophobicContact CD1-CB 4.44Å; I232-L391 HydrophobicContact CD1-CD2 4.26Å; I232-L391 HydrophobicContact CD1-CG 4.44Å; A381-L391 HydrophobicContact CB-CD2 4.12Å; C385-L391 HydrophobicContact CB-CD1 3.82Å; C385-L391 HydrophobicContact CB-CD2 4.41Å; C385-L391 HydrophobicContact CB-CG 4.47Å; D389-L391 HydrophobicContact CB-CD1 4.09Å; L391-I405 HydrophobicContact CD2-CD1 3.56Å; L391-I405 HydrophobicContact CD2-CG2 4.33Å; L391-I412 HydrophobicContact CD1-CD1 3.41Å; L391-I412 VanDerWaalsContact CD1-CD1 3.41Å; L391-I412 HydrophobicContact CD1-CG1 3.92Å; L391-I412 HydrophobicContact CD2-CD1 4.12Å; L391-I412 HydrophobicContact CG-CD1 4.41Å; L391-E413 PolarHBondContact N-O 3.26Å; L391-T414 HydrophobicContact CB-CG2 4.12Å; L391-T414 CarbonylContact O-C 3.58Å; L391-T414 WeakPolarHBondContact O-CA 3.49Å; L391-G415 PolarHBondContact O-N 3.46Å
392	W	94.6	Very high	90	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	101.3	-176.5	-170.2	21.1	0	0	0	111	L229 V230 A231 I232 A264 F390 H394 W728 Y732 L733	L229-W392 HydrophobicContact CD1-CB 3.97Å; L229-W392 HydrophobicContact CD1-CE3 4.16Å; L229-W392 HydrophobicContact CD2-CE3 4.1Å; L229-W392 HydrophobicContact CD2-CZ3 4.35Å; V230-W392 PolarHBondContact O-N 3.13Å; A231-W392 CarbonylContact C-O 3.58Å; A231-W392 WeakPolarHBondContact CA-O 3.48Å; I232-W392 PolarHBondContact N-O 3.16Å; A264-W392 HydrophobicContact CB-CH2 4.48Å; A264-W392 HydrophobicContact CB-CZ3 3.78Å; F390-W392 HydrophobicContact CD1-CB 4.17Å; F390-W392 HydrophobicContact CE1-CB 3.92Å; F390-W392 HydrophobicContact CE1-CG 4.21Å; W392-H394 AromaticContact CD1-CE1 3.99Å; W392-H394 AromaticContact CD1-NE2 3.89Å; W392-H394 AromaticContact CD2-CE1 3.56Å; W392-H394 AromaticContact CD2-NE2 3.19Å; W392-H394 AromaticContact CE2-CE1 3.15Å; W392-H394 AromaticContact CE2-NE2 3.35Å; W392-H394 VanDerWaalsContact CE2-NE2 3.35Å; W392-H394 AromaticContact CE3-NE2 3.49Å; W392-H394 AromaticContact CG-NE2 3.65Å; W392-H394 AromaticContact CH2-CE1 3.93Å; W392-H394 AromaticContact CZ2-CE1 3.4Å; W392-H394 VanDerWaalsContact CZ2-CE1 3.4Å; W392-H394 WeakPolarHBondContact CZ2-CE1 3.06Å; W392-H394 AromaticContact CZ2-NE2 3.86Å; W392-H394 AromaticContact CZ3-NE2 3.93Å; W392-H394 AromaticContact NE1-CE1 3.38Å; W392-H394 PolarHBondContact NE1-CE1 3.39Å; W392-H394 AromaticContact NE1-NE2 3.69Å; W392-W728 AromaticContact CH2-CH2 3.32Å; W392-W728 HydrophobicContact CH2-CH2 3.32Å; W392-W728 HydrophobicContact CH2-CZ2 4.28Å; W392-W728 AromaticContact CH2-CZ3 3.58Å; W392-W728 HydrophobicContact CH2-CZ3 3.58Å; W392-W728 AromaticContact CZ2-CH2 3.33Å; W392-W728 HydrophobicContact CZ2-CH2 3.33Å; W392-W728 AromaticContact CZ2-CZ2 3.88Å; W392-W728 HydrophobicContact CZ2-CZ2 3.88Å; W392-W728 HydrophobicContact CZ2-CZ3 4.04Å; W392-Y732 AromaticContact CD1-CE1 3.45Å; W392-Y732 VanDerWaalsContact CD1-CE1 3.45Å; W392-Y732 AromaticContact CD1-CZ 3.87Å; W392-Y732 HydrophobicContact CD2-CE1 4.22Å; W392-Y732 AromaticContact CE2-CD1 3.62Å; W392-Y732 AromaticContact CE2-CE1 3.44Å; W392-Y732 VanDerWaalsContact CE2-CE1 3.44Å; W392-Y732 HydrophobicContact CG-CE1 4.18Å; W392-Y732 AromaticContact CZ2-CD1 3.6Å; W392-Y732 HydrophobicContact CZ2-CD1 3.6Å; W392-Y732 AromaticContact CZ2-CE1 3.93Å; W392-Y732 HydrophobicContact CZ2-CE1 3.93Å; W392-Y732 HydrophobicContact CZ2-CG 4.29Å; W392-Y732 AromaticContact NE1-CD1 3.6Å; W392-Y732 AromaticContact NE1-CE1 2.94Å; W392-Y732 AromaticContact NE1-CZ 3.37Å; W392-L733 HydrophobicContact CD2-CD2 4.35Å; W392-L733 HydrophobicContact CE3-CD2 4.31Å; W392-L733 HydrophobicContact CZ3-CD1 4.4Å
393	V	96.9	Very high	90.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.8	-177	-177.4	0	0	0	0	110.5	I232 L398 V401 G415 F416 F417 F446	I232-V393 HydrophobicContact CB-CG2 4.22Å; I232-V393 HydrophobicContact CD1-CG2 3.94Å; I232-V393 HydrophobicContact CG1-CG2 4.46Å; V393-L398 HydrophobicContact CG1-CB 3.52Å; V393-L398 HydrophobicContact CG1-CD1 4.27Å; V393-V401 HydrophobicContact CG1-CB 4.25Å; V393-V401 HydrophobicContact CG2-CB 4.2Å; V393-V401 HydrophobicContact CG2-CG1 3.74Å; V393-G415 PolarHBondContact N-O 3.18Å; V393-F416 HydrophobicContact CB-CD2 3.98Å; V393-F416 HydrophobicContact CG1-CD2 3.83Å; V393-F416 HydrophobicContact CG1-CE2 4.04Å; V393-F416 VanDerWaalsContact O-CA 3.3Å; V393-F416 WeakPolarHBondContact O-CA 3.5Å; V393-F417 PolarHBondContact O-N 3.3Å; V393-F446 HydrophobicContact CB-CE1 3.67Å; V393-F446 HydrophobicContact CB-CZ 3.99Å; V393-F446 HydrophobicContact CG1-CE1 4.37Å; V393-F446 HydrophobicContact CG1-CZ 4.19Å; V393-F446 HydrophobicContact CG2-CE1 3.66Å; V393-F446 HydrophobicContact CG2-CZ 4.17Å
394	H	95.7	Very high	90.4	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.7	-176.8	-71	-79.2	0	0	0	114	I232 L257 C261 W392 H419	I232-H394 PolarHBondContact O-N 2.8Å; L257-H394 HydrophobicContact CD1-CB 3.78Å; L257-H394 HydrophobicContact CD2-CB 4.44Å; C261-H394 VanDerWaalsContact SG-CD2 3.56Å; C261-H394 PolarHBondContact SG-NE2 3.33Å; W392-H394 AromaticContact CD1-CE1 3.99Å; W392-H394 AromaticContact CD1-NE2 3.89Å; W392-H394 AromaticContact CD2-CE1 3.56Å; W392-H394 AromaticContact CD2-NE2 3.19Å; W392-H394 AromaticContact CE2-CE1 3.15Å; W392-H394 AromaticContact CE2-NE2 3.35Å; W392-H394 VanDerWaalsContact CE2-NE2 3.35Å; W392-H394 AromaticContact CE3-NE2 3.49Å; W392-H394 AromaticContact CG-NE2 3.65Å; W392-H394 AromaticContact CH2-CE1 3.93Å; W392-H394 AromaticContact CZ2-CE1 3.4Å; W392-H394 VanDerWaalsContact CZ2-CE1 3.4Å; W392-H394 WeakPolarHBondContact CZ2-CE1 3.06Å; W392-H394 AromaticContact CZ2-NE2 3.86Å; W392-H394 AromaticContact CZ3-NE2 3.93Å; W392-H394 AromaticContact NE1-CE1 3.38Å; W392-H394 PolarHBondContact NE1-CE1 3.39Å; W392-H394 AromaticContact NE1-NE2 3.69Å; H394-H419 AromaticContact CG-NE2 3.99Å; H394-H419 AromaticContact ND1-NE2 3.16Å; H394-H419 PolarHBondContact ND1-NE2 3.2Å; H394-H419 VanDerWaalsContact ND1-NE2 3.16Å
395	D	95.2	Very high	90.8	Very high	22 Å²	22	11.3 Å²	11.3	12%	0.118	6%	0.063	C	C	.	.	S	Bend	trans	70.3	167.3	162.6	-147.3	18.6	0	0	0	116.7	H397 L398 F416 F417 H419	D395-H397 PolarHBondContact O-N 3.29Å; D395-H397 IonicContact OD2-CE1 2.68Å; D395-H397 IonicContact OD2-ND1 3.73Å; D395-L398 PolarHBondContact O-N 3.25Å; D395-F416 VanDerWaalsContact C-CZ 3.49Å; D395-F416 VanDerWaalsContact O-CE2 3.29Å; D395-F416 WeakPolarHBondContact O-CE2 3.21Å; D395-F416 WeakPolarHBondContact O-CZ 3.32Å; D395-F417 PolarHBondContact N-O 3.11Å; D395-H419 PolarHBondContact OD1-N 3.09Å
396	Y	96	Very high	91.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-7.6	-169.5	69.1	-82.2	0	0	0	116	S338 N339 L342 W343 Y370 L398 I420 R577	S338-Y396 VanDerWaalsContact O-CE2 3.22Å; S338-Y396 WeakPolarHBondContact O-CE2 3.32Å; N339-Y396 PolarHBondContact OD1-OH 3.14Å; L342-Y396 HydrophobicContact CB-CD2 3.86Å; L342-Y396 HydrophobicContact CD1-CD2 4.38Å; W343-Y396 HydrophobicContact CB-CE2 4.34Å; W343-Y396 HydrophobicContact CE3-CD1 4.37Å; W343-Y396 AromaticContact CE3-CE1 3.43Å; W343-Y396 HydrophobicContact CE3-CE1 3.43Å; W343-Y396 VanDerWaalsContact CE3-CE1 3.43Å; W343-Y396 HydrophobicContact CE3-CE2 4.43Å; W343-Y396 AromaticContact CE3-CZ 3.45Å; W343-Y396 VanDerWaalsContact CE3-CZ 3.45Å; W343-Y396 AromaticContact CZ3-CE1 3.75Å; W343-Y396 HydrophobicContact CZ3-CE1 3.75Å; Y370-Y396 PolarHBondContact OH-O 2.65Å; Y396-L398 VanDerWaalsContact C-N 3.32Å; Y396-I420 HydrophobicContact CD1-CD1 3.49Å; Y396-I420 VanDerWaalsContact CD1-CD1 3.49Å; Y396-I420 HydrophobicContact CD1-CG1 3.98Å; Y396-I420 HydrophobicContact CD1-CG2 4.17Å; Y396-I420 HydrophobicContact CE1-CD1 4.24Å; Y396-I420 HydrophobicContact CE1-CG2 4.23Å; Y396-I420 HydrophobicContact CG-CD1 3.77Å; Y396-R577 PolarHBondContact OH-NH2 3.46Å
397	H	96.4	Very high	91.8	Very high	9 Å²	9	13 Å²	13	4%	0.042	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-24.7	177.2	-56	87	0	0	0	112.4	N234 Y334 Y370 N374 D395	N234-H397 HydrophobicContact CB-CB 3.79Å; Y334-H397 AromaticContact CD2-CD2 3.94Å; Y334-H397 AromaticContact CD2-NE2 3.87Å; Y334-H397 AromaticContact CE2-NE2 3.5Å; Y370-H397 WeakPolarHBondContact CE2-O 3.45Å; Y370-H397 VanDerWaalsContact OH-C 3.3Å; Y370-H397 PolarHBondContact OH-O 3.38Å; N374-H397 PolarHBondContact ND2-O 3.17Å; D395-H397 PolarHBondContact O-N 3.29Å; D395-H397 IonicContact OD2-CE1 2.68Å; D395-H397 IonicContact OD2-ND1 3.73Å
398	L	97.3	Very high	92.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	-123.7	27.3	-165.5	-62	-177.3	0	0	0	112.7	I232 N374 F377 V393 D395 Y396 L400 V401	I232-L398 HydrophobicContact CG2-CD1 3.84Å; N374-L398 WeakPolarHBondContact OD1-CA 3Å; N374-L398 PolarHBondContact OD1-O 3.04Å; F377-L398 HydrophobicContact CB-CD2 4.13Å; F377-L398 HydrophobicContact CD1-CD1 4.01Å; F377-L398 HydrophobicContact CD1-CD2 4.14Å; F377-L398 HydrophobicContact CD2-CD2 3.44Å; F377-L398 VanDerWaalsContact CD2-CD2 3.44Å; F377-L398 HydrophobicContact CE1-CD1 4.09Å; F377-L398 HydrophobicContact CE1-CD2 4.4Å; F377-L398 HydrophobicContact CE2-CD2 3.75Å; F377-L398 HydrophobicContact CG-CD1 4.32Å; F377-L398 HydrophobicContact CG-CD2 3.64Å; F377-L398 HydrophobicContact CZ-CD1 4.47Å; F377-L398 HydrophobicContact CZ-CD2 4.2Å; V393-L398 HydrophobicContact CG1-CB 3.52Å; V393-L398 HydrophobicContact CG1-CD1 4.27Å; D395-L398 PolarHBondContact O-N 3.25Å; Y396-L398 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.3Å; L398-L400 VanDerWaalsContact O-N 3.13Å; L398-V401 HydrophobicContact CB-CG2 3.82Å; L398-V401 HydrophobicContact CD2-CG2 4.16Å; L398-V401 HydrophobicContact CG-CG2 4.46Å; L398-V401 WeakPolarHBondContact O-CB 3.37Å; L398-V401 WeakPolarHBondContact O-CG2 3.38Å; L398-V401 PolarHBondContact O-N 2.58Å
399	T	96.9	Very high	93.4	Very high	5 Å²	5	9 Å²	9	3%	0.031	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-23	-173.8	56.5	0	0	0	0	113.9	Y370 N374 F416 I439 A442 L443	Y370-T399 PolarHBondContact OH-N 2.93Å; Y370-T399 PolarHBondContact OH-OG1 3.17Å; N374-T399 PolarHBondContact OD1-N 3.23Å; T399-F416 HydrophobicContact CG2-CE2 4.36Å; T399-F416 HydrophobicContact CG2-CZ 3.9Å; T399-I439 HydrophobicContact CG2-CG2 4.48Å; T399-A442 VanDerWaalsContact O-CB 3.29Å; T399-A442 WeakPolarHBondContact O-CB 3.37Å; T399-L443 HydrophobicContact CG2-CD2 4.28Å
400	L	97.4	Very high	93.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-8.7	-176	-48.3	179.8	0	0	0	113.2	W367 Y370 M371 N374 L398 A402 M403 I404 I438 A442	W367-L400 HydrophobicContact CH2-CD1 4.14Å; W367-L400 HydrophobicContact CH2-CD2 4.39Å; W367-L400 HydrophobicContact CZ2-CD1 4.27Å; Y370-L400 HydrophobicContact CD1-CD1 3.95Å; Y370-L400 HydrophobicContact CE1-CD1 3.77Å; Y370-L400 HydrophobicContact CE1-CG 3.87Å; M371-L400 HydrophobicContact CB-CD1 4.42Å; M371-L400 HydrophobicContact CG-CD1 3.78Å; N374-L400 HydrophobicContact CB-CB 3.86Å; N374-L400 HydrophobicContact CB-CD1 4.45Å; N374-L400 HydrophobicContact CB-CG 4.49Å; N374-L400 WeakPolarHBondContact OD1-CB 3.46Å; N374-L400 PolarHBondContact OD1-N 3.2Å; L398-L400 PolarHBondContact O-N 3.3Å; L398-L400 VanDerWaalsContact O-N 3.13Å; L400-A402 PolarHBondContact O-N 3.03Å; L400-M403 HydrophobicContact CB-CE 4.19Å; L400-M403 HydrophobicContact CD2-CE 3.75Å; L400-M403 HydrophobicContact CG-CE 4.47Å; L400-M403 WeakPolarHBondContact O-CB 3.24Å; L400-M403 PolarHBondContact O-N 3.36Å; L400-I404 HydrophobicContact CB-CD1 4.38Å; L400-I404 PolarHBondContact O-N 3.23Å; L400-I404 VanDerWaalsContact O-N 3.14Å; L400-I438 HydrophobicContact CD2-CG2 3.91Å; L400-A442 HydrophobicContact CD2-CB 3.61Å
401	V	97.2	Very high	92.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.1	-48.7	-171.2	168.6	0	0	0	0	112.7	I232 N374 F377 A378 V393 L398 M403 I404 I405	I232-V401 HydrophobicContact CD1-CG1 4.29Å; N374-V401 HydrophobicContact CB-CG2 4.43Å; N374-V401 PolarHBondContact OD1-N 2.97Å; F377-V401 HydrophobicContact CB-CG2 4.03Å; A378-V401 HydrophobicContact CB-CG1 4.28Å; V393-V401 HydrophobicContact CG1-CB 4.25Å; V393-V401 HydrophobicContact CG2-CB 4.2Å; V393-V401 HydrophobicContact CG2-CG1 3.74Å; L398-V401 HydrophobicContact CB-CG2 3.82Å; L398-V401 HydrophobicContact CD2-CG2 4.16Å; L398-V401 HydrophobicContact CG-CG2 4.46Å; L398-V401 WeakPolarHBondContact O-CB 3.37Å; L398-V401 WeakPolarHBondContact O-CG2 3.38Å; L398-V401 PolarHBondContact O-N 2.58Å; V401-M403 VanDerWaalsContact C-N 3.34Å; V401-M403 PolarHBondContact O-N 2.93Å; V401-I404 PolarHBondContact O-N 3.22Å; V401-I405 HydrophobicContact CG1-CD1 3.39Å; V401-I405 HydrophobicContact CG1-CG1 4.18Å; V401-I405 WeakPolarHBondContact O-CB 3.27Å; V401-I405 VanDerWaalsContact O-CG1 3.28Å; V401-I405 WeakPolarHBondContact O-CG1 3.43Å; V401-I405 PolarHBondContact O-N 3.19Å
402	A	91.2	Very high	92.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.9	-34.4	-179.7	0	0	0	0	0	113.4	L400 I404 I405 R406 T414 K445 F446	L400-A402 PolarHBondContact O-N 3.03Å; A402-I404 VanDerWaalsContact C-N 3.27Å; A402-I404 PolarHBondContact O-N 2.93Å; A402-I405 PolarHBondContact O-N 3.27Å; A402-R406 WeakPolarHBondContact O-CB 3.47Å; A402-R406 WeakPolarHBondContact O-CG 3.47Å; A402-R406 PolarHBondContact O-N 2.75Å; A402-T414 HydrophobicContact CB-CG2 4.2Å; A402-K445 HydrophobicContact CB-CB 4.47Å; A402-F446 HydrophobicContact CB-CD1 3.39Å; A402-F446 HydrophobicContact CB-CD2 3.83Å; A402-F446 HydrophobicContact CB-CE1 3.24Å; A402-F446 HydrophobicContact CB-CE2 3.69Å; A402-F446 HydrophobicContact CB-CG 3.71Å; A402-F446 HydrophobicContact CB-CZ 3.4Å; A402-F446 VanDerWaalsContact CB-CZ 3.4Å
403	M	93.1	Very high	92	Very high	12 Å²	12	21.7 Å²	21.7	6%	0.059	11%	0.105	C	C	.	.	H	α-helix	trans	-60.7	-41.8	175.4	-177.7	168.7	55	0	0	110.7	I157 L400 V401 I407 I438 A442 K445	I157-M403 HydrophobicContact CB-CE 4.11Å; I157-M403 HydrophobicContact CD1-CE 4.03Å; I157-M403 HydrophobicContact CG1-CE 3.77Å; I157-M403 HydrophobicContact CG1-CG 4.33Å; I157-M403 HydrophobicContact CG1-SD 4.25Å; I157-M403 HydrophobicContact CG2-CE 3.33Å; I157-M403 HydrophobicContact CG2-SD 4.22Å; L400-M403 HydrophobicContact CB-CE 4.19Å; L400-M403 HydrophobicContact CD2-CE 3.75Å; L400-M403 HydrophobicContact CG-CE 4.47Å; L400-M403 WeakPolarHBondContact O-CB 3.24Å; L400-M403 PolarHBondContact O-N 3.36Å; V401-M403 VanDerWaalsContact C-N 3.34Å; V401-M403 PolarHBondContact O-N 2.93Å; M403-I407 WeakPolarHBondContact O-CG1 3.22Å; M403-I438 HydrophobicContact CE-CG2 3.97Å; M403-A442 HydrophobicContact CB-CB 4.27Å; M403-A442 HydrophobicContact CE-CB 3.69Å; M403-A442 HydrophobicContact SD-CB 4.14Å; M403-K445 HydrophobicContact CB-CB 4.23Å; M403-K445 HydrophobicContact CB-CG 3.94Å; M403-K445 HydrophobicContact CG-CG 4.1Å
404	I	94.9	Very high	91.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68	-52	175.3	-64.1	163.5	0	0	0	110.7	T153 I157 N374 F375 A378 L400 V401 A402 R406 I407 Y408	T153-I404 HydrophobicContact CG2-CG1 4.11Å; T153-I404 HydrophobicContact CG2-CG2 3.99Å; I157-I404 HydrophobicContact CD1-CD1 4.07Å; I157-I404 HydrophobicContact CD1-CG1 3.53Å; N374-I404 HydrophobicContact CB-CD1 4.08Å; F375-I404 HydrophobicContact CB-CD1 4.1Å; F375-I404 HydrophobicContact CD2-CG2 3.99Å; A378-I404 HydrophobicContact CB-CB 3.67Å; A378-I404 HydrophobicContact CB-CD1 4.35Å; A378-I404 HydrophobicContact CB-CG2 3.38Å; L400-I404 HydrophobicContact CB-CD1 4.38Å; L400-I404 PolarHBondContact O-N 3.23Å; L400-I404 VanDerWaalsContact O-N 3.14Å; V401-I404 PolarHBondContact O-N 3.22Å; A402-I404 VanDerWaalsContact C-N 3.27Å; A402-I404 PolarHBondContact O-N 2.93Å; I404-R406 VanDerWaalsContact C-N 3.28Å; I404-R406 PolarHBondContact O-N 3.07Å; I404-I407 WeakPolarHBondContact O-CB 3.4Å; I404-I407 PolarHBondContact O-N 3Å; I404-I407 VanDerWaalsContact O-N 3.1Å; I404-Y408 HydrophobicContact CG2-CE2 4.12Å; I404-Y408 VanDerWaalsContact O-CD2 3.28Å; I404-Y408 WeakPolarHBondContact O-CD2 3.49Å
405	I	93.2	Very high	91.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.6	-43	-177.2	-72.8	171.3	0	0	0	111.7	A378 A381 L382 L391 V401 A402 I407 Y408 K409 I412	A378-I405 HydrophobicContact CB-CD1 4.5Å; A378-I405 HydrophobicContact CB-CG1 3.83Å; A381-I405 HydrophobicContact CB-CD1 4.26Å; L382-I405 HydrophobicContact CD2-CB 4.48Å; L382-I405 HydrophobicContact CD2-CG2 3.97Å; L382-I405 HydrophobicContact CG-CG1 4.22Å; L391-I405 HydrophobicContact CD2-CD1 3.56Å; L391-I405 HydrophobicContact CD2-CG2 4.33Å; V401-I405 HydrophobicContact CG1-CD1 3.39Å; V401-I405 HydrophobicContact CG1-CG1 4.18Å; V401-I405 WeakPolarHBondContact O-CB 3.27Å; V401-I405 VanDerWaalsContact O-CG1 3.28Å; V401-I405 WeakPolarHBondContact O-CG1 3.43Å; V401-I405 PolarHBondContact O-N 3.19Å; A402-I405 PolarHBondContact O-N 3.27Å; I405-I407 VanDerWaalsContact C-N 3.25Å; I405-I407 PolarHBondContact O-N 2.82Å; I405-Y408 PolarHBondContact O-N 3.35Å; I405-K409 PolarHBondContact O-N 2.97Å; I405-I412 HydrophobicContact CG2-CG2 3.47Å; I405-I412 VanDerWaalsContact CG2-CG2 3.47Å
406	R	89.7	Confident	91.7	Very high	37 Å²	37	20.6 Å²	20.6	14%	0.14	10%	0.1	C	C	.	.	H	α-helix	trans	-70	-19.4	-176.9	-75.7	-171.3	178.3	-135.1	13.2	114	A402 I404 Y408 P410 T414 K445	A402-R406 WeakPolarHBondContact O-CB 3.47Å; A402-R406 WeakPolarHBondContact O-CG 3.47Å; A402-R406 PolarHBondContact O-N 2.75Å; I404-R406 VanDerWaalsContact C-N 3.28Å; I404-R406 PolarHBondContact O-N 3.07Å; R406-Y408 VanDerWaalsContact C-N 3.26Å; R406-P410 VanDerWaalsContact O-CA 3.24Å; R406-P410 WeakPolarHBondContact O-CA 3.43Å; R406-P410 VanDerWaalsContact O-CG 3.31Å; R406-P410 WeakPolarHBondContact O-CG 3.37Å; R406-T414 PolarHBondContact NE-OG1 3.11Å; R406-T414 PolarHBondContact NH2-OG1 3.22Å; R406-K445 WeakPolarHBondContact CD-O 3.36Å; R406-K445 PolarHBondContact NE-O 3.39Å; R406-K445 PolarHBondContact NH2-O 2.85Å
407	I	90.6	Very high	91.8	Very high	28 Å²	28	20.6 Å²	20.6	14%	0.144	10%	0.1	C	C	.	.	H	α-helix	trans	-62.4	-40	169.1	-68	165.8	0	0	0	109.8	T153 L164 F168 M403 I404 I405	T153-I407 HydrophobicContact CG2-CD1 3.99Å; L164-I407 HydrophobicContact CB-CG2 4.19Å; L164-I407 HydrophobicContact CD1-CD1 4.33Å; L164-I407 HydrophobicContact CD1-CG2 3.56Å; F168-I407 HydrophobicContact CE2-CG2 3.66Å; F168-I407 HydrophobicContact CZ-CG2 4.05Å; M403-I407 WeakPolarHBondContact O-CG1 3.22Å; I404-I407 WeakPolarHBondContact O-CB 3.4Å; I404-I407 PolarHBondContact O-N 3Å; I404-I407 VanDerWaalsContact O-N 3.1Å; I405-I407 VanDerWaalsContact C-N 3.25Å; I405-I407 PolarHBondContact O-N 2.82Å
408	Y	90.3	Very high	91.8	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-89.1	-44.7	-178	-60.9	-86.7	0	0	0	113	M149 T153 F168 K175 I178 L382 I404 I405 R406	M149-Y408 HydrophobicContact CE-CE1 3.82Å; M149-Y408 WeakPolarHBondContact CE-OH 3.48Å; T153-Y408 PolarHBondContact OG1-OH 2.82Å; F168-Y408 HydrophobicContact CE1-CE1 4.36Å; F168-Y408 HydrophobicContact CZ-CD1 4.05Å; F168-Y408 AromaticContact CZ-CE1 3.76Å; F168-Y408 HydrophobicContact CZ-CE1 3.76Å; K175-Y408 WeakPolarHBondContact CE-O 3.39Å; K175-Y408 HydrophobicContact CG-CD1 4.15Å; K175-Y408 PolarHBondContact NZ-O 2.91Å; I178-Y408 HydrophobicContact CB-CD1 4Å; I178-Y408 HydrophobicContact CB-CE1 3.68Å; I178-Y408 HydrophobicContact CG1-CD1 4.41Å; I178-Y408 HydrophobicContact CG1-CE1 3.58Å; I178-Y408 HydrophobicContact CG2-CD1 3.78Å; I178-Y408 HydrophobicContact CG2-CE1 3.66Å; I178-Y408 HydrophobicContact CG2-CE2 4.43Å; I178-Y408 HydrophobicContact CG2-CG 4.22Å; L382-Y408 HydrophobicContact CD1-CD2 3.55Å; L382-Y408 HydrophobicContact CD1-CE2 4.42Å; L382-Y408 HydrophobicContact CD1-CG 3.68Å; I404-Y408 HydrophobicContact CG2-CE2 4.12Å; I404-Y408 VanDerWaalsContact O-CD2 3.28Å; I404-Y408 WeakPolarHBondContact O-CD2 3.49Å; I405-Y408 PolarHBondContact O-N 3.35Å; R406-Y408 VanDerWaalsContact C-N 3.26Å
409	K	87.7	Confident	91.6	Very high	38 Å²	38	21.6 Å²	21.6	17%	0.165	10%	0.104	C	C	.	.			trans	-124.5	81.7	177.8	-71.5	-173.1	176.5	174.7	0	110.7	L382 C385 I405 K411 I412	L382-K409 HydrophobicContact CD2-CB 4.11Å; L382-K409 HydrophobicContact CD2-CD 3.9Å; L382-K409 HydrophobicContact CD2-CG 3.84Å; C385-K409 PolarHBondContact O-NZ 2.85Å; I405-K409 PolarHBondContact O-N 2.97Å; K409-K411 PolarHBondContact O-N 3.43Å; K409-K411 VanDerWaalsContact O-N 3.09Å; K409-I412 HydrophobicContact CB-CB 4.1Å; K409-I412 HydrophobicContact CB-CG2 4.07Å; K409-I412 HydrophobicContact CD-CD1 4.14Å; K409-I412 WeakPolarHBondContact O-CG2 3.21Å; K409-I412 PolarHBondContact O-N 3.4Å
410	P	83.6	Confident	91.6	Very high	81 Å²	81	21.8 Å²	21.8	53%	0.526	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.9	-174.3	-23.7	31	0	0	0	115.8	R406	R406-P410 VanDerWaalsContact O-CA 3.24Å; R406-P410 WeakPolarHBondContact O-CA 3.43Å; R406-P410 VanDerWaalsContact O-CG 3.31Å; R406-P410 WeakPolarHBondContact O-CG 3.37Å
411	K	78.2	Confident	91.5	Very high	178 Å²	178	21.8 Å²	21.8	77%	0.774	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.6	-174.4	-64.7	-176.5	179.5	176.9	0	114.2	K409	K409-K411 PolarHBondContact O-N 3.43Å; K409-K411 VanDerWaalsContact O-N 3.09Å
412	I	84.2	Confident	91.5	Very high	7 Å²	7	22 Å²	22	4%	0.036	11%	0.106	C	C	.	.			trans	-74.5	142.9	-178	-159	168.4	0	0	0	111.1	C385 L391 I405 K409 T414	C385-I412 HydrophobicContact CB-CD1 4.23Å; C385-I412 WeakPolarHBondContact SG-CD1 3.41Å; L391-I412 HydrophobicContact CD1-CD1 3.41Å; L391-I412 VanDerWaalsContact CD1-CD1 3.41Å; L391-I412 HydrophobicContact CD1-CG1 3.92Å; L391-I412 HydrophobicContact CD2-CD1 4.12Å; L391-I412 HydrophobicContact CG-CD1 4.41Å; I405-I412 HydrophobicContact CG2-CG2 3.47Å; I405-I412 VanDerWaalsContact CG2-CG2 3.47Å; K409-I412 HydrophobicContact CB-CB 4.1Å; K409-I412 HydrophobicContact CB-CG2 4.07Å; K409-I412 HydrophobicContact CD-CD1 4.14Å; K409-I412 WeakPolarHBondContact O-CG2 3.21Å; K409-I412 PolarHBondContact O-N 3.4Å; I412-T414 HydrophobicContact CG2-CG2 4.18Å
413	E	85.3	Confident	91.7	Very high	36 Å²	36	23.1 Å²	23.1	17%	0.168	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	131.5	-177.4	-63	-178.8	-163.8	0	0	109.6	F390 L391 R778 R780	F390-E413 HydrophobicContact CD2-CB 3.86Å; L391-E413 PolarHBondContact N-O 3.26Å; E413-R778 IonicContact OE1-CZ 3.33Å; E413-R778 IonicContact OE1-NH1 2.68Å; E413-R778 PolarHBondContact OE1-NH1 2.54Å; E413-R780 IonicContact OE1-CZ 3.02Å; E413-R780 IonicContact OE1-NE 3.52Å; E413-R780 PolarHBondContact OE1-NE 3.38Å; E413-R780 IonicContact OE1-NH1 2.8Å; E413-R780 PolarHBondContact OE1-NH1 2.94Å; E413-R780 IonicContact OE1-NH2 3.16Å; E413-R780 IonicContact OE2-NH1 3.32Å
414	T	91.8	Very high	91.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	126.5	-169.8	38.6	0	0	0	0	110.2	L391 A402 R406 I412 Q447 K448	L391-T414 HydrophobicContact CB-CG2 4.12Å; L391-T414 CarbonylContact O-C 3.58Å; L391-T414 WeakPolarHBondContact O-CA 3.49Å; A402-T414 HydrophobicContact CB-CG2 4.2Å; R406-T414 PolarHBondContact NE-OG1 3.11Å; R406-T414 PolarHBondContact NH2-OG1 3.22Å; I412-T414 HydrophobicContact CG2-CG2 4.18Å; T414-Q447 WeakPolarHBondContact O-CA 3.41Å; T414-Q447 VanDerWaalsContact O-CB 3.3Å; T414-Q447 WeakPolarHBondContact O-CB 3.22Å; T414-Q447 PolarHBondContact O-N 2.69Å; T414-K448 PolarHBondContact O-N 3.17Å
415	G	94.3	Very high	91.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.1	171.2	0	0	0	0	0	111.3	L391 V393 F446 K448 Y732	L391-G415 PolarHBondContact O-N 3.46Å; V393-G415 PolarHBondContact N-O 3.18Å; G415-F446 VanDerWaalsContact C-CD1 3.47Å; G415-K448 CarbonylContact C-O 3.6Å; G415-K448 VanDerWaalsContact CA-O 3.31Å; G415-K448 WeakPolarHBondContact CA-O 3.44Å; G415-Y732 VanDerWaalsContact C-OH 3.3Å; G415-Y732 WeakPolarHBondContact CA-OH 3.43Å
416	F	97.3	Very high	91.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.5	167.3	-171.6	-97.3	0	0	0	110.6	V393 D395 T399 L418 L443 F446 K448 L449 G450 Y732	V393-F416 HydrophobicContact CB-CD2 3.98Å; V393-F416 HydrophobicContact CG1-CD2 3.83Å; V393-F416 HydrophobicContact CG1-CE2 4.04Å; V393-F416 VanDerWaalsContact O-CA 3.3Å; V393-F416 WeakPolarHBondContact O-CA 3.5Å; D395-F416 VanDerWaalsContact C-CZ 3.49Å; D395-F416 VanDerWaalsContact O-CE2 3.29Å; D395-F416 WeakPolarHBondContact O-CE2 3.21Å; D395-F416 WeakPolarHBondContact O-CZ 3.32Å; T399-F416 HydrophobicContact CG2-CE2 4.36Å; T399-F416 HydrophobicContact CG2-CZ 3.9Å; F416-L418 HydrophobicContact CD1-CB 4.41Å; F416-L418 HydrophobicContact CE1-CB 3.84Å; F416-L418 HydrophobicContact CE1-CD1 3.95Å; F416-L418 HydrophobicContact CE1-CG 4.46Å; F416-L418 HydrophobicContact CZ-CD1 4.26Å; F416-L443 HydrophobicContact CD1-CD2 3.63Å; F416-L443 HydrophobicContact CE1-CD2 3.52Å; F416-L443 HydrophobicContact CE2-CD2 4.46Å; F416-L443 HydrophobicContact CG-CD2 4.12Å; F416-L443 HydrophobicContact CZ-CD2 3.97Å; F416-F446 HydrophobicContact CB-CB 4.12Å; F416-F446 HydrophobicContact CB-CD1 3.55Å; F416-F446 HydrophobicContact CB-CD2 3.64Å; F416-F446 HydrophobicContact CB-CE1 3.73Å; F416-F446 HydrophobicContact CB-CE2 3.83Å; F416-F446 HydrophobicContact CB-CG 3.49Å; F416-F446 VanDerWaalsContact CB-CG 3.49Å; F416-F446 HydrophobicContact CB-CZ 3.87Å; F416-F446 HydrophobicContact CD2-CD2 4.41Å; F416-F446 HydrophobicContact CD2-CE1 4.02Å; F416-F446 AromaticContact CD2-CE2 3.73Å; F416-F446 HydrophobicContact CD2-CE2 3.73Å; F416-F446 AromaticContact CD2-CZ 3.5Å; F416-F446 HydrophobicContact CD2-CZ 3.5Å; F416-F446 HydrophobicContact CE2-CZ 4.4Å; F416-F446 HydrophobicContact CG-CD2 4.21Å; F416-F446 HydrophobicContact CG-CE1 4.36Å; F416-F446 AromaticContact CG-CE2 3.98Å; F416-F446 HydrophobicContact CG-CE2 3.98Å; F416-F446 HydrophobicContact CG-CG 4.49Å; F416-F446 HydrophobicContact CG-CZ 4.06Å; F416-K448 PolarHBondContact N-O 3.21Å; F416-L449 HydrophobicContact CB-CD1 3.86Å; F416-L449 HydrophobicContact CD1-CD1 3.44Å; F416-L449 VanDerWaalsContact CD1-CD1 3.44Å; F416-L449 HydrophobicContact CE1-CD1 4.39Å; F416-L449 HydrophobicContact CG-CD1 4.08Å; F416-L449 WeakPolarHBondContact O-CA 3.42Å; F416-G450 PolarHBondContact O-N 3.26Å; F416-Y732 PolarHBondContact N-OH 2.93Å; F416-Y732 PolarHBondContact O-OH 3.44Å
417	F	96.5	Very high	91.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116.9	171.2	-165.9	-86.5	0	0	0	110.7	V393 D395 H419 Q452 F496 W728 Y732	V393-F417 PolarHBondContact O-N 3.3Å; D395-F417 PolarHBondContact N-O 3.11Å; F417-H419 AromaticContact CD1-CD2 3.94Å; F417-H419 AromaticContact CD1-CE1 3.37Å; F417-H419 WeakPolarHBondContact CD1-CE1 3.37Å; F417-H419 AromaticContact CD1-CG 3.94Å; F417-H419 AromaticContact CD1-ND1 3.61Å; F417-H419 AromaticContact CD1-NE2 3.6Å; F417-H419 AromaticContact CE1-CE1 3.65Å; F417-H419 AromaticContact CE1-ND1 3.54Å; F417-Q452 HydrophobicContact CE1-CG 4.4Å; F417-Q452 HydrophobicContact CZ-CG 4.44Å; F417-F496 HydrophobicContact CE2-CB 3.89Å; F417-F496 HydrophobicContact CE2-CD2 4.2Å; F417-F496 HydrophobicContact CE2-CG 4.47Å; F417-F496 WeakPolarHBondContact CZ-O 3.45Å; F417-W728 AromaticContact CD1-CZ2 4Å; F417-W728 HydrophobicContact CD1-CZ2 4Å; F417-W728 HydrophobicContact CD2-CZ2 4.07Å; F417-W728 AromaticContact CE1-CZ2 3.94Å; F417-W728 HydrophobicContact CE1-CZ2 3.94Å; F417-W728 HydrophobicContact CE2-CZ2 4.08Å; F417-W728 AromaticContact CE2-NE1 3.5Å; F417-W728 HydrophobicContact CG-CZ2 4.06Å; F417-W728 HydrophobicContact CZ-CZ2 4Å; F417-W728 AromaticContact CZ-NE1 3.37Å; F417-Y732 HydrophobicContact CB-CE2 4.34Å; F417-Y732 AromaticContact CD2-CD2 3.68Å; F417-Y732 HydrophobicContact CD2-CD2 3.68Å; F417-Y732 AromaticContact CD2-CE2 3.68Å; F417-Y732 HydrophobicContact CD2-CE2 3.68Å; F417-Y732 HydrophobicContact CD2-CG 4.43Å; F417-Y732 HydrophobicContact CE2-CD2 4.27Å; F417-Y732 HydrophobicContact CG-CE2 4.5Å
418	L	97	Very high	91.7	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	17%	0.165	C	C	.	.			trans	-88.5	116.7	176.8	-169.1	65.5	0	0	0	109.7	F416 I420 F422 G450 F451	F416-L418 HydrophobicContact CD1-CB 4.41Å; F416-L418 HydrophobicContact CE1-CB 3.84Å; F416-L418 HydrophobicContact CE1-CD1 3.95Å; F416-L418 HydrophobicContact CE1-CG 4.46Å; F416-L418 HydrophobicContact CZ-CD1 4.26Å; L418-I420 HydrophobicContact CD1-CD1 4.4Å; L418-I420 HydrophobicContact CD1-CG1 3.68Å; L418-I420 HydrophobicContact CD2-CG1 4.42Å; L418-I420 HydrophobicContact CG-CG1 3.95Å; L418-I420 WeakPolarHBondContact CG-O 3.3Å; L418-F422 HydrophobicContact CD2-CB 3.88Å; L418-F422 HydrophobicContact CD2-CD2 3.85Å; L418-F422 HydrophobicContact CD2-CG 4.35Å; L418-G450 PolarHBondContact N-O 3.23Å; L418-F451 HydrophobicContact CB-CD1 4.16Å; L418-F451 HydrophobicContact CB-CE1 4.25Å; L418-F451 HydrophobicContact CD2-CD1 3.98Å; L418-F451 HydrophobicContact CD2-CE1 3.67Å
419	H	94.2	Very high	91.9	Very high	27 Å²	27	33.9 Å²	33.9	13%	0.125	17%	0.166	C	C	.	.			trans	-86.6	-25.2	-176.9	-72.8	-78.1	0	0	0	113.3	L257 C260 H394 D395 F417	L257-H419 WeakPolarHBondContact CD1-NE2 3.38Å; C260-H419 VanDerWaalsContact SG-CE1 3.57Å; H394-H419 AromaticContact CG-NE2 3.99Å; H394-H419 AromaticContact ND1-NE2 3.16Å; H394-H419 PolarHBondContact ND1-NE2 3.2Å; H394-H419 VanDerWaalsContact ND1-NE2 3.16Å; D395-H419 PolarHBondContact OD1-N 3.09Å; F417-H419 AromaticContact CD1-CD2 3.94Å; F417-H419 AromaticContact CD1-CE1 3.37Å; F417-H419 WeakPolarHBondContact CD1-CE1 3.37Å; F417-H419 AromaticContact CD1-CG 3.94Å; F417-H419 AromaticContact CD1-ND1 3.61Å; F417-H419 AromaticContact CD1-NE2 3.6Å; F417-H419 AromaticContact CE1-CE1 3.65Å; F417-H419 AromaticContact CE1-ND1 3.54Å
420	I	95.1	Very high	92	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.041	19%	0.185	C	C	.	.	S	Bend	trans	-88.9	169.2	175.9	64.3	162.4	0	0	0	111.3	W343 L346 Y396 L418	W343-I420 HydrophobicContact CE3-CG2 3.96Å; W343-I420 HydrophobicContact CH2-CG2 4.03Å; W343-I420 HydrophobicContact CZ3-CG2 3.43Å; W343-I420 VanDerWaalsContact CZ3-CG2 3.43Å; L346-I420 HydrophobicContact CB-CD1 3.97Å; L346-I420 HydrophobicContact CD1-CD1 3.76Å; Y396-I420 HydrophobicContact CD1-CD1 3.49Å; Y396-I420 VanDerWaalsContact CD1-CD1 3.49Å; Y396-I420 HydrophobicContact CD1-CG1 3.98Å; Y396-I420 HydrophobicContact CD1-CG2 4.17Å; Y396-I420 HydrophobicContact CE1-CD1 4.24Å; Y396-I420 HydrophobicContact CE1-CG2 4.23Å; Y396-I420 HydrophobicContact CG-CD1 3.77Å; L418-I420 HydrophobicContact CD1-CD1 4.4Å; L418-I420 HydrophobicContact CD1-CG1 3.68Å; L418-I420 HydrophobicContact CD2-CG1 4.42Å; L418-I420 HydrophobicContact CG-CG1 3.95Å; L418-I420 WeakPolarHBondContact CG-O 3.3Å
421	P	96.8	Very high	92.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	18%	0.182	C	C	.	.			trans	-60.8	161.9	170.5	-20.3	34	0	0	0	112.4	H347 A637 D638 G639	H347-P421 WeakPolarHBondContact NE2-CD 3.4Å; P421-A637 HydrophobicContact CG-CB 4.33Å; P421-D638 VanDerWaalsContact CG-C 3.44Å; P421-G639 VanDerWaalsContact CD-N 3.31Å
422	F	97.1	Very high	93.3	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.013	15%	0.147	C	C	.	.			trans	-119.4	84	164.2	-164.8	-88.4	0	0	0	108.6	L346 L418 P424 F429 L440 L443 F451 D456 F460 Y463	L346-F422 HydrophobicContact CD2-CD2 3.94Å; L346-F422 HydrophobicContact CD2-CE2 3.88Å; L418-F422 HydrophobicContact CD2-CB 3.88Å; L418-F422 HydrophobicContact CD2-CD2 3.85Å; L418-F422 HydrophobicContact CD2-CG 4.35Å; F422-P424 HydrophobicContact CE1-CG 4.09Å; F422-P424 HydrophobicContact CZ-CG 4.36Å; F422-F429 HydrophobicContact CZ-CZ 4.38Å; F422-L440 HydrophobicContact CE1-CD2 4.49Å; F422-L440 HydrophobicContact CZ-CD2 3.8Å; F422-L443 HydrophobicContact CE2-CD1 4.17Å; F422-F451 HydrophobicContact CB-CD1 4.26Å; F422-F451 HydrophobicContact CB-CE1 3.8Å; F422-F451 HydrophobicContact CD2-CE1 4.35Å; F422-F451 HydrophobicContact CG-CE1 4.16Å; F422-D456 HydrophobicContact CB-CB 4.16Å; F422-F460 HydrophobicContact CD1-CB 3.76Å; F422-F460 HydrophobicContact CD1-CD2 4.22Å; F422-F460 HydrophobicContact CD2-CD2 4.46Å; F422-F460 HydrophobicContact CE1-CB 4.01Å; F422-F460 AromaticContact CE1-CD2 3.79Å; F422-F460 HydrophobicContact CE1-CD2 3.79Å; F422-F460 HydrophobicContact CE1-CG 4.41Å; F422-F460 HydrophobicContact CE2-CD2 4.05Å; F422-F460 HydrophobicContact CG-CB 4.29Å; F422-F460 AromaticContact CZ-CD2 3.71Å; F422-F460 HydrophobicContact CZ-CD2 3.71Å; F422-F460 HydrophobicContact CZ-CE2 4.44Å; F422-Y463 AromaticContact CE1-CD2 3.9Å; F422-Y463 HydrophobicContact CE1-CD2 3.9Å
423	D	95.8	Very high	93.5	Very high	24 Å²	24	34.1 Å²	34.1	13%	0.128	17%	0.172	C	C	.	.			trans	-136.5	54.9	-178.4	-166.6	15.5	0	0	0	113.4	L346 H348 R459	L346-D423 CarbonylContact O-C 3.59Å; L346-D423 WeakPolarHBondContact O-CA 3.47Å; L346-D423 PolarHBondContact O-N 3.25Å; H348-D423 WeakPolarHBondContact CA-O 3.47Å; H348-D423 HydrophobicContact CB-CB 4.31Å; H348-D423 VanDerWaalsContact CB-O 3.24Å; H348-D423 WeakPolarHBondContact CB-O 3.38Å; H348-D423 PolarHBondContact N-O 2.95Å; H348-D423 PolarHBondContact ND1-O 2.68Å; H348-D423 IonicContact ND1-OD1 3.15Å; H348-D423 PolarHBondContact ND1-OD1 2.74Å; H348-D423 IonicContact ND1-OD2 2.64Å; D423-R459 VanDerWaalsContact CB-NH1 3.26Å; D423-R459 VanDerWaalsContact CG-NH2 3.3Å; D423-R459 IonicContact OD1-CZ 3.61Å; D423-R459 IonicContact OD1-NE 2.9Å; D423-R459 PolarHBondContact OD1-NE 3.02Å; D423-R459 IonicContact OD1-NH1 2.98Å; D423-R459 PolarHBondContact OD1-NH1 3.05Å; D423-R459 IonicContact OD1-NH2 3.51Å; D423-R459 PolarHBondContact OD1-NH2 3.16Å; D423-R459 VanDerWaalsContact OD1-NH2 3.17Å; D423-R459 IonicContact OD2-CZ 2.99Å; D423-R459 IonicContact OD2-NH1 3.94Å; D423-R459 PolarHBondContact OD2-NH1 3.13Å; D423-R459 IonicContact OD2-NH2 3.11Å; D423-R459 PolarHBondContact OD2-NH2 3.11Å
424	P	95.8	Very high	93.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.			trans	-62.5	147.1	171.2	28.4	-32.9	0	0	0	111	A345 L346 F422 F428 F429 Y463	A345-P424 WeakPolarHBondContact O-CA 3.08Å; L346-P424 HydrophobicContact CD2-CB 4.33Å; L346-P424 HydrophobicContact CD2-CG 4.25Å; F422-P424 HydrophobicContact CE1-CG 4.09Å; F422-P424 HydrophobicContact CZ-CG 4.36Å; P424-F428 HydrophobicContact CB-CB 3.83Å; P424-F428 HydrophobicContact CB-CD1 3.63Å; P424-F428 HydrophobicContact CB-CE1 4.37Å; P424-F428 HydrophobicContact CB-CG 3.76Å; P424-F428 HydrophobicContact CG-CD1 4.41Å; P424-F429 HydrophobicContact CB-CE2 4.27Å; P424-F429 HydrophobicContact CG-CE2 3.7Å; P424-F429 HydrophobicContact CG-CZ 3.9Å; P424-Y463 HydrophobicContact CG-CD2 4.18Å; P424-Y463 HydrophobicContact CG-CE2 3.68Å; P424-Y463 PolarHBondContact O-OH 2.99Å
425	S	93.2	Very high	93.7	Very high	12 Å²	12	35.8 Å²	35.8	8%	0.084	19%	0.185	C	C	.	.			trans	-64.3	155.5	169.9	62	0	0	0	0	111.4	N350 D427 F428	N350-S425 WeakPolarHBondContact ND2-CB 3.41Å; N350-S425 PolarHBondContact ND2-OG 3.37Å; S425-D427 PolarHBondContact O-N 3.05Å; S425-D427 VanDerWaalsContact O-N 3.12Å; S425-F428 WeakPolarHBondContact O-CB 3.42Å; S425-F428 PolarHBondContact O-N 3.11Å
426	K	87.1	Confident	93.7	Very high	160 Å²	160	35.9 Å²	35.9	70%	0.696	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.6	179.1	-65.8	-175	176.9	-176	0	113.7	F428	K426-F428 VanDerWaalsContact C-N 3.3Å; K426-F428 PolarHBondContact O-N 3.11Å
427	D	90.7	Very high	93.5	Very high	122 Å²	122	37.2 Å²	37.2	65%	0.652	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.9	-178.9	-59.3	-28.1	0	0	0	113.5	S425 F429 A430 K431	S425-D427 PolarHBondContact O-N 3.05Å; S425-D427 VanDerWaalsContact O-N 3.12Å; D427-F429 VanDerWaalsContact C-N 3.32Å; D427-F429 PolarHBondContact O-N 3.1Å; D427-A430 PolarHBondContact O-N 3.46Å; D427-K431 WeakPolarHBondContact O-CB 3.4Å; D427-K431 PolarHBondContact O-N 3.19Å
428	F	94.6	Very high	93.5	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-57.8	-45.8	-177.9	174.3	-102.6	0	0	0	111.5	L341 L342 A345 P424 S425 K426 A430 K431 Y432 A436	L341-F428 HydrophobicContact CD1-CE2 4.2Å; L341-F428 HydrophobicContact CG-CE2 4.45Å; L342-F428 HydrophobicContact CD2-CZ 4.26Å; A345-F428 HydrophobicContact CB-CD2 3.52Å; A345-F428 HydrophobicContact CB-CE2 3.35Å; A345-F428 HydrophobicContact CB-CZ 4.22Å; P424-F428 HydrophobicContact CB-CB 3.83Å; P424-F428 HydrophobicContact CB-CD1 3.63Å; P424-F428 HydrophobicContact CB-CE1 4.37Å; P424-F428 HydrophobicContact CB-CG 3.76Å; P424-F428 HydrophobicContact CG-CD1 4.41Å; S425-F428 WeakPolarHBondContact O-CB 3.42Å; S425-F428 PolarHBondContact O-N 3.11Å; K426-F428 VanDerWaalsContact C-N 3.3Å; K426-F428 PolarHBondContact O-N 3.11Å; F428-A430 VanDerWaalsContact C-N 3.33Å; F428-A430 PolarHBondContact O-N 2.84Å; F428-K431 PolarHBondContact O-N 3Å; F428-Y432 AromaticContact CD2-CD2 3.34Å; F428-Y432 HydrophobicContact CD2-CD2 3.34Å; F428-Y432 AromaticContact CD2-CE2 3.75Å; F428-Y432 HydrophobicContact CD2-CE2 3.75Å; F428-Y432 HydrophobicContact CD2-CG 4.42Å; F428-Y432 AromaticContact CE2-CD2 3.53Å; F428-Y432 HydrophobicContact CE2-CD2 3.53Å; F428-Y432 HydrophobicContact CE2-CE2 4.08Å; F428-Y432 HydrophobicContact CE2-CG 4.26Å; F428-Y432 HydrophobicContact CG-CD2 4.16Å; F428-Y432 HydrophobicContact CZ-CD2 4.49Å; F428-Y432 WeakPolarHBondContact O-CD2 3.18Å; F428-Y432 PolarHBondContact O-N 3.47Å; F428-A436 HydrophobicContact CD1-CB 3.92Å; F428-A436 HydrophobicContact CE1-CB 3.51Å; F428-A436 HydrophobicContact CZ-CB 4.15Å
429	F	93	Very high	93.4	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-70.7	-29.7	-178.7	-66.3	-76.7	0	0	0	113	F422 P424 D427 H433 A436 L440 Y463	F422-F429 HydrophobicContact CZ-CZ 4.38Å; P424-F429 HydrophobicContact CB-CE2 4.27Å; P424-F429 HydrophobicContact CG-CE2 3.7Å; P424-F429 HydrophobicContact CG-CZ 3.9Å; D427-F429 VanDerWaalsContact C-N 3.32Å; D427-F429 PolarHBondContact O-N 3.1Å; F429-H433 WeakPolarHBondContact O-CB 3.21Å; F429-H433 PolarHBondContact O-N 3.27Å; F429-A436 HydrophobicContact CD1-CB 3.52Å; F429-A436 HydrophobicContact CE1-CB 4.02Å; F429-A436 HydrophobicContact CG-CB 4.33Å; F429-L440 HydrophobicContact CD1-CD1 4.01Å; F429-L440 HydrophobicContact CD1-CG 4.44Å; F429-L440 HydrophobicContact CE1-CD1 3.53Å; F429-L440 HydrophobicContact CE1-CD2 3.91Å; F429-L440 HydrophobicContact CE1-CG 3.62Å; F429-L440 HydrophobicContact CZ-CD1 4.05Å; F429-L440 HydrophobicContact CZ-CD2 3.99Å; F429-L440 HydrophobicContact CZ-CG 4.2Å; F429-Y463 AromaticContact CD2-CD1 3.7Å; F429-Y463 HydrophobicContact CD2-CD1 3.7Å; F429-Y463 AromaticContact CD2-CE1 3.74Å; F429-Y463 HydrophobicContact CD2-CE1 3.74Å; F429-Y463 HydrophobicContact CD2-CG 4.35Å; F429-Y463 AromaticContact CE2-CD1 3.32Å; F429-Y463 HydrophobicContact CE2-CD1 3.32Å; F429-Y463 AromaticContact CE2-CD2 3.89Å; F429-Y463 HydrophobicContact CE2-CD2 3.89Å; F429-Y463 AromaticContact CE2-CE1 3.51Å; F429-Y463 HydrophobicContact CE2-CE1 3.51Å; F429-Y463 HydrophobicContact CE2-CE2 4.02Å; F429-Y463 AromaticContact CE2-CG 3.52Å; F429-Y463 HydrophobicContact CE2-CG 3.52Å; F429-Y463 AromaticContact CE2-CZ 3.84Å; F429-Y463 HydrophobicContact CZ-CD1 4.21Å; F429-Y463 HydrophobicContact CZ-CD2 4.36Å; F429-Y463 HydrophobicContact CZ-CG 4.03Å
430	A	90.8	Very high	93.5	Very high	68 Å²	68	36.5 Å²	36.5	56%	0.562	19%	0.191	S	C	*	.	H	α-helix	trans	-75.8	-46.7	174.7	0	0	0	0	0	111.1	D427 F428	D427-A430 PolarHBondContact O-N 3.46Å; F428-A430 VanDerWaalsContact C-N 3.33Å; F428-A430 PolarHBondContact O-N 2.84Å
431	K	93.6	Very high	93.5	Very high	107 Å²	107	37.7 Å²	37.7	47%	0.465	20%	0.195	S	C	.	.	H	α-helix	trans	-67.9	-39.4	-176.7	-176.1	169.6	179.7	172.5	0	113	E358 D427 F428	E358-K431 IonicContact OE1-NZ 3.09Å; E358-K431 PolarHBondContact OE1-NZ 3.44Å; E358-K431 IonicContact OE2-NZ 3.16Å; D427-K431 WeakPolarHBondContact O-CB 3.4Å; D427-K431 PolarHBondContact O-N 3.19Å; F428-K431 PolarHBondContact O-N 3Å
432	Y	94.7	Very high	93.5	Very high	13 Å²	13	37.6 Å²	37.6	5%	0.051	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	27.5	-175.2	-54.7	-71.9	0	0	0	113	L341 V353 L363 F428 M435 A436	L341-Y432 HydrophobicContact CD1-CD1 3.98Å; L341-Y432 HydrophobicContact CD1-CD2 4.07Å; L341-Y432 HydrophobicContact CD1-CE1 3.68Å; L341-Y432 HydrophobicContact CD1-CE2 3.76Å; L341-Y432 HydrophobicContact CD1-CG 4.17Å; L341-Y432 HydrophobicContact CD2-CD1 4.25Å; L341-Y432 HydrophobicContact CD2-CG 4.48Å; V353-Y432 WeakPolarHBondContact CG1-OH 3.15Å; L363-Y432 HydrophobicContact CD1-CD1 4.47Å; L363-Y432 HydrophobicContact CD2-CD1 3.93Å; L363-Y432 HydrophobicContact CD2-CE1 4.44Å; F428-Y432 AromaticContact CD2-CD2 3.34Å; F428-Y432 HydrophobicContact CD2-CD2 3.34Å; F428-Y432 AromaticContact CD2-CE2 3.75Å; F428-Y432 HydrophobicContact CD2-CE2 3.75Å; F428-Y432 HydrophobicContact CD2-CG 4.42Å; F428-Y432 AromaticContact CE2-CD2 3.53Å; F428-Y432 HydrophobicContact CE2-CD2 3.53Å; F428-Y432 HydrophobicContact CE2-CE2 4.08Å; F428-Y432 HydrophobicContact CE2-CG 4.26Å; F428-Y432 HydrophobicContact CG-CD2 4.16Å; F428-Y432 HydrophobicContact CZ-CD2 4.49Å; F428-Y432 WeakPolarHBondContact O-CD2 3.18Å; F428-Y432 PolarHBondContact O-N 3.47Å; Y432-M435 WeakPolarHBondContact O-CB 3.18Å; Y432-M435 PolarHBondContact O-N 3Å; Y432-A436 PolarHBondContact O-N 3.42Å
433	H	89.6	Confident	93.5	Very high	121 Å²	121	37.7 Å²	37.7	56%	0.56	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	141.1	168	-170	75.6	0	0	0	110.1	F429 T437	F429-H433 WeakPolarHBondContact O-CB 3.21Å; F429-H433 PolarHBondContact O-N 3.27Å; H433-T437 PolarHBondContact ND1-OG1 3.28Å
434	P	88.5	Confident	93.5	Very high	56 Å²	56	36.7 Å²	36.7	36%	0.364	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	cis	-85.4	-9.3	1.1	33.9	-35.7	0	0	0	115.3	A436 T437 I438	P434-A436 VanDerWaalsContact C-N 3.34Å; P434-A436 PolarHBondContact O-N 3.46Å; P434-T437 WeakPolarHBondContact O-CB 3.38Å; P434-T437 PolarHBondContact O-N 2.84Å; P434-I438 HydrophobicContact CB-CD1 4.38Å; P434-I438 WeakPolarHBondContact O-CG1 3.21Å; P434-I438 PolarHBondContact O-N 3.25Å
435	M	92.8	Very high	93.4	Very high	15 Å²	15	38.1 Å²	38.1	7%	0.074	20%	0.196	C	C	.	.	H	α-helix	trans	-55.1	-46.8	-171.3	-51.3	173.4	-164.9	0	0	112.4	L363 W367 Y432 T437 I438 I439	L363-M435 HydrophobicContact CD1-CE 4.4Å; L363-M435 HydrophobicContact CD1-SD 3.93Å; L363-M435 HydrophobicContact CD2-CE 3.92Å; L363-M435 HydrophobicContact CD2-SD 4.16Å; L363-M435 HydrophobicContact CG-CE 3.65Å; L363-M435 HydrophobicContact CG-SD 3.84Å; W367-M435 HydrophobicContact CB-CE 3.93Å; W367-M435 HydrophobicContact CB-CG 4.44Å; W367-M435 HydrophobicContact CB-SD 3.69Å; W367-M435 HydrophobicContact CD2-CB 3.93Å; W367-M435 HydrophobicContact CD2-CG 3.64Å; W367-M435 HydrophobicContact CD2-SD 3.89Å; W367-M435 HydrophobicContact CE3-CB 4.01Å; W367-M435 HydrophobicContact CE3-CG 4.14Å; W367-M435 HydrophobicContact CE3-SD 4.2Å; W367-M435 HydrophobicContact CG-CE 4.07Å; W367-M435 HydrophobicContact CG-CG 3.75Å; W367-M435 HydrophobicContact CG-SD 3.65Å; W367-M435 HydrophobicContact CH2-CB 4.18Å; W367-M435 HydrophobicContact CZ2-CB 4.1Å; W367-M435 HydrophobicContact CZ2-CG 4.43Å; W367-M435 HydrophobicContact CZ3-CB 4.14Å; Y432-M435 WeakPolarHBondContact O-CB 3.18Å; Y432-M435 PolarHBondContact O-N 3Å; M435-T437 VanDerWaalsContact C-N 3.32Å; M435-T437 PolarHBondContact O-N 2.77Å; M435-I438 WeakPolarHBondContact O-CB 3.38Å; M435-I438 PolarHBondContact O-N 2.92Å; M435-I439 WeakPolarHBondContact O-CG1 3.28Å; M435-I439 PolarHBondContact O-N 3.27Å
436	A	94.4	Very high	93.5	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-39.3	178.7	0	0	0	0	0	112.4	F428 F429 Y432 P434 I439 L440	F428-A436 HydrophobicContact CD1-CB 3.92Å; F428-A436 HydrophobicContact CE1-CB 3.51Å; F428-A436 HydrophobicContact CZ-CB 4.15Å; F429-A436 HydrophobicContact CD1-CB 3.52Å; F429-A436 HydrophobicContact CE1-CB 4.02Å; F429-A436 HydrophobicContact CG-CB 4.33Å; Y432-A436 PolarHBondContact O-N 3.42Å; P434-A436 VanDerWaalsContact C-N 3.34Å; P434-A436 PolarHBondContact O-N 3.46Å; A436-I439 PolarHBondContact O-N 2.87Å; A436-L440 PolarHBondContact O-N 2.8Å
437	T	93	Very high	93.6	Very high	28 Å²	28	31.6 Å²	31.6	17%	0.172	17%	0.167	C	C	.	.	H	α-helix	trans	-68.4	-39.1	175.8	-54.4	0	0	0	0	111.5	H433 P434 M435 I439 L440 R441 L468	H433-T437 PolarHBondContact ND1-OG1 3.28Å; P434-T437 WeakPolarHBondContact O-CB 3.38Å; P434-T437 PolarHBondContact O-N 2.84Å; M435-T437 VanDerWaalsContact C-N 3.32Å; M435-T437 PolarHBondContact O-N 2.77Å; T437-I439 VanDerWaalsContact C-N 3.28Å; T437-I439 PolarHBondContact O-N 2.96Å; T437-L440 PolarHBondContact O-N 3.02Å; T437-R441 WeakPolarHBondContact O-CG 3.48Å; T437-R441 PolarHBondContact O-N 2.66Å; T437-L468 HydrophobicContact CG2-CD2 3.92Å
438	I	95.3	Very high	93.6	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.015	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-39.6	175.4	-67.3	167.9	0	0	0	110.5	I157 V158 W367 L400 M403 P434 M435 L440 R441 A442	I157-I438 HydrophobicContact CG2-CG2 3.74Å; V158-I438 HydrophobicContact CG2-CD1 4.2Å; W367-I438 HydrophobicContact CZ2-CB 4.22Å; W367-I438 HydrophobicContact CZ2-CD1 4.26Å; W367-I438 HydrophobicContact CZ2-CG2 4.02Å; L400-I438 HydrophobicContact CD2-CG2 3.91Å; M403-I438 HydrophobicContact CE-CG2 3.97Å; P434-I438 HydrophobicContact CB-CD1 4.38Å; P434-I438 WeakPolarHBondContact O-CG1 3.21Å; P434-I438 PolarHBondContact O-N 3.25Å; M435-I438 WeakPolarHBondContact O-CB 3.38Å; M435-I438 PolarHBondContact O-N 2.92Å; I438-L440 PolarHBondContact O-N 2.83Å; I438-R441 PolarHBondContact O-N 3.45Å; I438-A442 VanDerWaalsContact O-CB 3.26Å; I438-A442 WeakPolarHBondContact O-CB 3.24Å; I438-A442 PolarHBondContact O-N 3.04Å
439	I	96.3	Very high	93.7	Very high	12 Å²	12	25.6 Å²	25.6	6%	0.062	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-44.9	176.8	-68.5	168.3	0	0	0	111.5	L342 W367 T399 M435 A436 T437 R441 A442 L443	L342-I439 HydrophobicContact CD1-CD1 4.22Å; L342-I439 HydrophobicContact CD2-CD1 3.43Å; L342-I439 VanDerWaalsContact CD2-CD1 3.43Å; L342-I439 HydrophobicContact CG-CD1 4.47Å; W367-I439 HydrophobicContact CH2-CD1 4.35Å; W367-I439 HydrophobicContact CH2-CG1 4.04Å; W367-I439 HydrophobicContact CZ3-CD1 4.28Å; W367-I439 HydrophobicContact CZ3-CG1 4.45Å; T399-I439 HydrophobicContact CG2-CG2 4.48Å; M435-I439 WeakPolarHBondContact O-CG1 3.28Å; M435-I439 PolarHBondContact O-N 3.27Å; A436-I439 PolarHBondContact O-N 2.87Å; T437-I439 VanDerWaalsContact C-N 3.28Å; T437-I439 PolarHBondContact O-N 2.96Å; I439-R441 PolarHBondContact O-N 3.43Å; I439-A442 PolarHBondContact O-N 3.49Å; I439-L443 HydrophobicContact CG2-CD1 4.07Å; I439-L443 HydrophobicContact CG2-CG 4.47Å; I439-L443 WeakPolarHBondContact O-CG 3.29Å; I439-L443 PolarHBondContact O-N 3.11Å
440	L	96	Very high	93.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.2	-47.3	176.3	-65	-178.6	0	0	0	111.4	F422 F429 A436 T437 I438 A442 L443 L444 F460 I464 R467 L468	F422-L440 HydrophobicContact CE1-CD2 4.49Å; F422-L440 HydrophobicContact CZ-CD2 3.8Å; F429-L440 HydrophobicContact CD1-CD1 4.01Å; F429-L440 HydrophobicContact CD1-CG 4.44Å; F429-L440 HydrophobicContact CE1-CD1 3.53Å; F429-L440 HydrophobicContact CE1-CD2 3.91Å; F429-L440 HydrophobicContact CE1-CG 3.62Å; F429-L440 HydrophobicContact CZ-CD1 4.05Å; F429-L440 HydrophobicContact CZ-CD2 3.99Å; F429-L440 HydrophobicContact CZ-CG 4.2Å; A436-L440 PolarHBondContact O-N 2.8Å; T437-L440 PolarHBondContact O-N 3.02Å; I438-L440 PolarHBondContact O-N 2.83Å; L440-A442 VanDerWaalsContact C-N 3.3Å; L440-A442 PolarHBondContact O-N 3.45Å; L440-L443 PolarHBondContact O-N 3.1Å; L440-L444 PolarHBondContact O-N 2.99Å; L440-F460 HydrophobicContact CD2-CD2 4.16Å; L440-F460 HydrophobicContact CD2-CE2 3.86Å; L440-I464 HydrophobicContact CB-CG2 4.4Å; L440-I464 HydrophobicContact CD2-CG2 4.2Å; L440-R467 HydrophobicContact CD1-CB 3.99Å; L440-R467 HydrophobicContact CD1-CG 4.47Å; L440-L468 HydrophobicContact CB-CD1 3.95Å; L440-L468 HydrophobicContact CB-CG 4.42Å
441	R	94.8	Very high	94.1	Very high	33 Å²	33	22.1 Å²	22.1	13%	0.125	11%	0.107	C	C	.	.	H	α-helix	trans	-59.8	-41.9	177.4	-71.6	175.2	54.1	-159.5	-10.7	111.7	T437 I438 I439 L444 K445 L468 Y486	T437-R441 WeakPolarHBondContact O-CG 3.48Å; T437-R441 PolarHBondContact O-N 2.66Å; I438-R441 PolarHBondContact O-N 3.45Å; I439-R441 PolarHBondContact O-N 3.43Å; R441-L444 PolarHBondContact O-N 3.22Å; R441-K445 PolarHBondContact O-N 3.18Å; R441-L468 HydrophobicContact CG-CD1 4.36Å; R441-L468 HydrophobicContact CG-CD2 3.8Å; R441-Y486 HydrophobicContact CG-CE1 3.93Å
442	A	96.1	Very high	94.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.3	-41.9	-179.2	0	0	0	0	0	112.2	T399 L400 M403 I438 I439 L440 L444 K445	T399-A442 VanDerWaalsContact O-CB 3.29Å; T399-A442 WeakPolarHBondContact O-CB 3.37Å; L400-A442 HydrophobicContact CD2-CB 3.61Å; M403-A442 HydrophobicContact CB-CB 4.27Å; M403-A442 HydrophobicContact CE-CB 3.69Å; M403-A442 HydrophobicContact SD-CB 4.14Å; I438-A442 VanDerWaalsContact O-CB 3.26Å; I438-A442 WeakPolarHBondContact O-CB 3.24Å; I438-A442 PolarHBondContact O-N 3.04Å; I439-A442 PolarHBondContact O-N 3.49Å; L440-A442 VanDerWaalsContact C-N 3.3Å; L440-A442 PolarHBondContact O-N 3.45Å; A442-L444 VanDerWaalsContact C-N 3.27Å; A442-L444 PolarHBondContact O-N 3.06Å; A442-K445 WeakPolarHBondContact O-CB 3.45Å; A442-K445 PolarHBondContact O-N 3.47Å
443	L	97.3	Very high	94.1	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-61.4	-35.1	175.3	-72	173.2	0	0	0	112	T399 F416 F422 I439 L440 K445 F446 L449 F460	T399-L443 HydrophobicContact CG2-CD2 4.28Å; F416-L443 HydrophobicContact CD1-CD2 3.63Å; F416-L443 HydrophobicContact CE1-CD2 3.52Å; F416-L443 HydrophobicContact CE2-CD2 4.46Å; F416-L443 HydrophobicContact CG-CD2 4.12Å; F416-L443 HydrophobicContact CZ-CD2 3.97Å; F422-L443 HydrophobicContact CE2-CD1 4.17Å; I439-L443 HydrophobicContact CG2-CD1 4.07Å; I439-L443 HydrophobicContact CG2-CG 4.47Å; I439-L443 WeakPolarHBondContact O-CG 3.29Å; I439-L443 PolarHBondContact O-N 3.11Å; L440-L443 PolarHBondContact O-N 3.1Å; L443-K445 PolarHBondContact O-N 2.94Å; L443-F446 PolarHBondContact O-N 3.31Å; L443-L449 HydrophobicContact CB-CD2 4.36Å; L443-L449 HydrophobicContact CD2-CD1 4.08Å; L443-F460 HydrophobicContact CB-CE2 3.93Å; L443-F460 HydrophobicContact CB-CZ 3.88Å; L443-F460 HydrophobicContact CD1-CD2 4.25Å; L443-F460 HydrophobicContact CD1-CE2 3.63Å; L443-F460 HydrophobicContact CD1-CZ 4.4Å; L443-F460 HydrophobicContact CG-CE2 4.45Å
444	L	95.5	Very high	94.2	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.016	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-6.6	173.5	-67.6	-178.3	0	0	0	114.5	L440 R441 A442 F446 F460 I464 L468 V471 A484 Y486 C491	L440-L444 PolarHBondContact O-N 2.99Å; R441-L444 PolarHBondContact O-N 3.22Å; A442-L444 VanDerWaalsContact C-N 3.27Å; A442-L444 PolarHBondContact O-N 3.06Å; L444-F446 VanDerWaalsContact C-N 3.34Å; L444-F460 HydrophobicContact CD2-CE1 4.14Å; L444-F460 HydrophobicContact CD2-CZ 4.1Å; L444-F460 HydrophobicContact CG-CZ 4.38Å; L444-I464 HydrophobicContact CD1-CB 4.36Å; L444-I464 HydrophobicContact CD1-CG2 4.16Å; L444-I464 HydrophobicContact CD2-CD1 3.98Å; L444-I464 HydrophobicContact CG-CG2 4.39Å; L444-L468 HydrophobicContact CD1-CD1 3.54Å; L444-V471 HydrophobicContact CD1-CG2 4.25Å; L444-A484 HydrophobicContact CD2-CB 3.82Å; L444-Y486 HydrophobicContact CD1-CD1 4.27Å; L444-Y486 HydrophobicContact CD1-CG 4.04Å; L444-C491 HydrophobicContact CD2-CB 4.2Å
445	K	94.1	Very high	94.4	Very high	31 Å²	31	12 Å²	12	14%	0.135	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.6	171	-62.1	-59.3	-179.5	-173.5	0	112.8	A402 M403 R406 R441 A442 L443 V489	A402-K445 HydrophobicContact CB-CB 4.47Å; M403-K445 HydrophobicContact CB-CB 4.23Å; M403-K445 HydrophobicContact CB-CG 3.94Å; M403-K445 HydrophobicContact CG-CG 4.1Å; R406-K445 WeakPolarHBondContact CD-O 3.36Å; R406-K445 PolarHBondContact NE-O 3.39Å; R406-K445 PolarHBondContact NH2-O 2.85Å; R441-K445 PolarHBondContact O-N 3.18Å; A442-K445 WeakPolarHBondContact O-CB 3.45Å; A442-K445 PolarHBondContact O-N 3.47Å; L443-K445 PolarHBondContact O-N 2.94Å; K445-V489 HydrophobicContact CD-CG2 4.19Å
446	F	94.5	Very high	94.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-76.4	142.6	169.7	-67.5	-87.5	0	0	0	110.2	V393 A402 G415 F416 L443 L444 K448 C491	V393-F446 HydrophobicContact CB-CE1 3.67Å; V393-F446 HydrophobicContact CB-CZ 3.99Å; V393-F446 HydrophobicContact CG1-CE1 4.37Å; V393-F446 HydrophobicContact CG1-CZ 4.19Å; V393-F446 HydrophobicContact CG2-CE1 3.66Å; V393-F446 HydrophobicContact CG2-CZ 4.17Å; A402-F446 HydrophobicContact CB-CD1 3.39Å; A402-F446 HydrophobicContact CB-CD2 3.83Å; A402-F446 HydrophobicContact CB-CE1 3.24Å; A402-F446 HydrophobicContact CB-CE2 3.69Å; A402-F446 HydrophobicContact CB-CG 3.71Å; A402-F446 HydrophobicContact CB-CZ 3.4Å; A402-F446 VanDerWaalsContact CB-CZ 3.4Å; G415-F446 VanDerWaalsContact C-CD1 3.47Å; F416-F446 HydrophobicContact CB-CB 4.12Å; F416-F446 HydrophobicContact CB-CD1 3.55Å; F416-F446 HydrophobicContact CB-CD2 3.64Å; F416-F446 HydrophobicContact CB-CE1 3.73Å; F416-F446 HydrophobicContact CB-CE2 3.83Å; F416-F446 HydrophobicContact CB-CG 3.49Å; F416-F446 VanDerWaalsContact CB-CG 3.49Å; F416-F446 HydrophobicContact CB-CZ 3.87Å; F416-F446 HydrophobicContact CD2-CD2 4.41Å; F416-F446 HydrophobicContact CD2-CE1 4.02Å; F416-F446 AromaticContact CD2-CE2 3.73Å; F416-F446 HydrophobicContact CD2-CE2 3.73Å; F416-F446 AromaticContact CD2-CZ 3.5Å; F416-F446 HydrophobicContact CD2-CZ 3.5Å; F416-F446 HydrophobicContact CE2-CZ 4.4Å; F416-F446 HydrophobicContact CG-CD2 4.21Å; F416-F446 HydrophobicContact CG-CE1 4.36Å; F416-F446 AromaticContact CG-CE2 3.98Å; F416-F446 HydrophobicContact CG-CE2 3.98Å; F416-F446 HydrophobicContact CG-CG 4.49Å; F416-F446 HydrophobicContact CG-CZ 4.06Å; L443-F446 PolarHBondContact O-N 3.31Å; L444-F446 VanDerWaalsContact C-N 3.34Å; F446-K448 VanDerWaalsContact C-N 3.28Å; F446-C491 WeakPolarHBondContact O-CB 3.22Å; F446-C491 PolarHBondContact O-SG 2.96Å; F446-C491 VanDerWaalsContact O-SG 3.34Å
447	Q	89.4	Confident	94.6	Very high	35 Å²	35	11.2 Å²	11.2	16%	0.164	5%	0.052	C	C	.	.	S	Bend	trans	-69	-35.3	173.7	-171.3	56.3	53.9	0	0	110.8	T414 K490 C491 S492 D738	T414-Q447 WeakPolarHBondContact O-CA 3.41Å; T414-Q447 VanDerWaalsContact O-CB 3.3Å; T414-Q447 WeakPolarHBondContact O-CB 3.22Å; T414-Q447 PolarHBondContact O-N 2.69Å; Q447-K490 PolarHBondContact NE2-O 3.03Å; Q447-K490 PolarHBondContact OE1-O 3.45Å; Q447-C491 WeakPolarHBondContact O-CA 3.47Å; Q447-S492 PolarHBondContact O-N 3.2Å; Q447-S492 PolarHBondContact O-OG 3.43Å; Q447-S492 VanDerWaalsContact O-OG 3.07Å; Q447-D738 HydrophobicContact CG-CB 4.42Å
448	K	91.5	Very high	94.6	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.009	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.3	-176.9	-169.8	-179	-157.9	137.4	0	110.5	T414 G415 F416 F446 S492 Y732 D734 W737 D738	T414-K448 PolarHBondContact O-N 3.17Å; G415-K448 CarbonylContact C-O 3.6Å; G415-K448 VanDerWaalsContact CA-O 3.31Å; G415-K448 WeakPolarHBondContact CA-O 3.44Å; F416-K448 PolarHBondContact N-O 3.21Å; F446-K448 VanDerWaalsContact C-N 3.28Å; K448-S492 CarbonylContact C-O 3.21Å; K448-Y732 HydrophobicContact CD-CD2 4.38Å; K448-Y732 HydrophobicContact CD-CE1 4.13Å; K448-Y732 HydrophobicContact CD-CE2 4Å; K448-Y732 WeakPolarHBondContact CD-O 3.05Å; K448-Y732 WeakPolarHBondContact CE-O 3.46Å; K448-Y732 HydrophobicContact CG-CE2 4.14Å; K448-Y732 PolarHBondContact NZ-O 2.97Å; K448-D734 PolarHBondContact NZ-O 3.33Å; K448-W737 HydrophobicContact CD-CE3 4.21Å; K448-W737 HydrophobicContact CG-CE3 3.97Å; K448-W737 HydrophobicContact CG-CZ3 3.85Å; K448-D738 WeakPolarHBondContact CD-OD1 3.42Å; K448-D738 WeakPolarHBondContact CE-OD1 3.5Å; K448-D738 WeakPolarHBondContact CG-OD1 3.35Å; K448-D738 IonicContact NZ-OD1 2.78Å; K448-D738 PolarHBondContact NZ-OD1 3.32Å
449	L	95.9	Very high	94.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.1	179	-176	61.6	0	0	0	109.8	F416 L443 F451 F460 S492 I493 G494	F416-L449 HydrophobicContact CB-CD1 3.86Å; F416-L449 HydrophobicContact CD1-CD1 3.44Å; F416-L449 VanDerWaalsContact CD1-CD1 3.44Å; F416-L449 HydrophobicContact CE1-CD1 4.39Å; F416-L449 HydrophobicContact CG-CD1 4.08Å; F416-L449 WeakPolarHBondContact O-CA 3.42Å; L443-L449 HydrophobicContact CB-CD2 4.36Å; L443-L449 HydrophobicContact CD2-CD1 4.08Å; L449-F451 HydrophobicContact CD1-CE2 4.38Å; L449-F451 HydrophobicContact CD1-CZ 4.39Å; L449-F451 HydrophobicContact CD2-CE2 3.49Å; L449-F451 VanDerWaalsContact CD2-CE2 3.49Å; L449-F451 HydrophobicContact CD2-CZ 3.67Å; L449-F451 HydrophobicContact CG-CD2 4.3Å; L449-F451 HydrophobicContact CG-CE2 3.54Å; L449-F451 HydrophobicContact CG-CZ 3.94Å; L449-F460 HydrophobicContact CD2-CD1 3.84Å; L449-F460 HydrophobicContact CD2-CE1 3.33Å; L449-F460 HydrophobicContact CD2-CE2 4.29Å; L449-F460 HydrophobicContact CD2-CG 4.49Å; L449-F460 HydrophobicContact CD2-CZ 3.6Å; L449-S492 PolarHBondContact N-O 3.06Å; L449-I493 HydrophobicContact CB-CG1 4.28Å; L449-I493 HydrophobicContact CD2-CG1 4.25Å; L449-I493 WeakPolarHBondContact O-CA 3.43Å; L449-G494 PolarHBondContact O-N 3.22Å
450	G	95.6	Very high	94.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.1	178.7	0	0	0	0	0	112.6	F416 L418 G494	F416-G450 PolarHBondContact O-N 3.26Å; L418-G450 PolarHBondContact N-O 3.23Å; G450-G494 WeakPolarHBondContact CA-O 3.43Å
451	F	96.8	Very high	94.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	161.8	172.4	-66.8	-85.1	0	0	0	110.7	L418 F422 L449 D456 A457 F460 I493 G494 V495 F496	L418-F451 HydrophobicContact CB-CD1 4.16Å; L418-F451 HydrophobicContact CB-CE1 4.25Å; L418-F451 HydrophobicContact CD2-CD1 3.98Å; L418-F451 HydrophobicContact CD2-CE1 3.67Å; F422-F451 HydrophobicContact CB-CD1 4.26Å; F422-F451 HydrophobicContact CB-CE1 3.8Å; F422-F451 HydrophobicContact CD2-CE1 4.35Å; F422-F451 HydrophobicContact CG-CE1 4.16Å; L449-F451 HydrophobicContact CD1-CE2 4.38Å; L449-F451 HydrophobicContact CD1-CZ 4.39Å; L449-F451 HydrophobicContact CD2-CE2 3.49Å; L449-F451 VanDerWaalsContact CD2-CE2 3.49Å; L449-F451 HydrophobicContact CD2-CZ 3.67Å; L449-F451 HydrophobicContact CG-CD2 4.3Å; L449-F451 HydrophobicContact CG-CE2 3.54Å; L449-F451 HydrophobicContact CG-CZ 3.94Å; F451-D456 HydrophobicContact CD1-CB 4.18Å; F451-A457 HydrophobicContact CB-CB 4.15Å; F451-A457 HydrophobicContact CD2-CB 3.85Å; F451-A457 HydrophobicContact CG-CB 4.17Å; F451-F460 HydrophobicContact CE1-CB 4.17Å; F451-F460 HydrophobicContact CE1-CG 4.44Å; F451-F460 HydrophobicContact CE2-CB 4.06Å; F451-F460 AromaticContact CE2-CD1 3.91Å; F451-F460 HydrophobicContact CE2-CD1 3.91Å; F451-F460 HydrophobicContact CE2-CG 4.02Å; F451-F460 HydrophobicContact CZ-CB 3.55Å; F451-F460 AromaticContact CZ-CD1 3.84Å; F451-F460 HydrophobicContact CZ-CD1 3.84Å; F451-F460 AromaticContact CZ-CD2 3.97Å; F451-F460 HydrophobicContact CZ-CD2 3.97Å; F451-F460 AromaticContact CZ-CG 3.49Å; F451-F460 HydrophobicContact CZ-CG 3.49Å; F451-F460 VanDerWaalsContact CZ-CG 3.49Å; F451-I493 HydrophobicContact CD2-CG2 3.92Å; F451-I493 HydrophobicContact CE2-CG2 3.67Å; F451-G494 PolarHBondContact N-O 3.33Å; F451-V495 CarbonylContact O-C 3.57Å; F451-V495 WeakPolarHBondContact O-CA 3.45Å; F451-F496 PolarHBondContact O-N 2.89Å
452	Q	94.5	Very high	94.7	Very high	3 Å²	3	16.7 Å²	16.7	1%	0.014	9%	0.087	C	C	.	.	S	Bend	trans	-78.8	-34.4	178.9	-62.1	-72.7	13.1	0	0	113.4	F417 F496 G639 M640	F417-Q452 HydrophobicContact CE1-CG 4.4Å; F417-Q452 HydrophobicContact CZ-CG 4.44Å; Q452-F496 PolarHBondContact OE1-O 2.86Å; Q452-G639 WeakPolarHBondContact CB-O 3.33Å; Q452-M640 HydrophobicContact CB-CB 4.18Å; Q452-M640 HydrophobicContact CB-CE 4.33Å; Q452-M640 HydrophobicContact CG-CB 3.97Å
453	T	94	Very high	94.7	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.018	9%	0.091	C	C	.	.	S	Bend	trans	-134	152.3	-174.7	77.8	0	0	0	0	111.7	R455 D456 A457	T453-R455 PolarHBondContact O-N 3.46Å; T453-D456 PolarHBondContact O-N 2.89Å; T453-D456 PolarHBondContact OG1-N 3.42Å; T453-D456 PolarHBondContact OG1-OD2 2.65Å; T453-A457 PolarHBondContact O-N 3.39Å; T453-A457 VanDerWaalsContact O-N 3.12Å
454	T	92.4	Very high	94.7	Very high	18 Å²	18	17.5 Å²	17.5	11%	0.11	9%	0.09	C	C	.	.	H	α-helix	trans	-58.4	-37.9	172.2	-50.7	0	0	0	0	111.8	D456 A457 T458 W482 Q670	T454-D456 VanDerWaalsContact C-N 3.28Å; T454-D456 PolarHBondContact O-N 3.21Å; T454-A457 PolarHBondContact O-N 3.25Å; T454-T458 WeakPolarHBondContact O-CB 3.05Å; T454-T458 PolarHBondContact O-N 2.98Å; T454-T458 PolarHBondContact O-OG1 3.5Å; T454-W482 HydrophobicContact CG2-CH2 4.15Å; T454-Q670 VanDerWaalsContact CB-NE2 3.29Å; T454-Q670 PolarHBondContact OG1-NE2 3Å; T454-Q670 PolarHBondContact OG1-OE1 3.34Å
455	R	92.2	Very high	94.7	Very high	60 Å²	60	22.6 Å²	22.6	23%	0.226	11%	0.114	C	C	.	.	H	α-helix	trans	-53.3	-48	175.7	176.9	-167.3	68.1	-157.2	-5	111.1	T453 R459 I660	T453-R455 PolarHBondContact O-N 3.46Å; R455-R459 VanDerWaalsContact CD-NH1 3.28Å; R455-R459 WeakPolarHBondContact O-CB 3.34Å; R455-R459 WeakPolarHBondContact O-CD 3.05Å; R455-R459 VanDerWaalsContact O-CG 3.24Å; R455-R459 WeakPolarHBondContact O-CG 3.32Å; R455-R459 PolarHBondContact O-N 3.44Å; R455-R459 VanDerWaalsContact O-N 3.09Å; R455-I660 PolarHBondContact NH1-O 3.03Å
456	D	95.9	Very high	94.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-72.6	-40.3	-176.4	-52.8	-36.8	0	0	0	111.1	F422 F451 T453 T454 R459 F460	F422-D456 HydrophobicContact CB-CB 4.16Å; F451-D456 HydrophobicContact CD1-CB 4.18Å; T453-D456 PolarHBondContact O-N 2.89Å; T453-D456 PolarHBondContact OG1-N 3.42Å; T453-D456 PolarHBondContact OG1-OD2 2.65Å; T454-D456 VanDerWaalsContact C-N 3.28Å; T454-D456 PolarHBondContact O-N 3.21Å; D456-R459 PolarHBondContact O-N 3.01Å; D456-F460 PolarHBondContact O-N 2.93Å
457	A	95.4	Very high	94.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-47.5	175.8	0	0	0	0	0	112.3	F451 T453 T454 R459 F460 V461 W482 V495	F451-A457 HydrophobicContact CB-CB 4.15Å; F451-A457 HydrophobicContact CD2-CB 3.85Å; F451-A457 HydrophobicContact CG-CB 4.17Å; T453-A457 PolarHBondContact O-N 3.39Å; T453-A457 VanDerWaalsContact O-N 3.12Å; T454-A457 PolarHBondContact O-N 3.25Å; A457-R459 VanDerWaalsContact C-N 3.33Å; A457-R459 PolarHBondContact O-N 3Å; A457-F460 PolarHBondContact O-N 3.49Å; A457-V461 WeakPolarHBondContact O-CG2 3.37Å; A457-V461 PolarHBondContact O-N 3.43Å; A457-W482 HydrophobicContact CB-CE3 4.34Å; A457-W482 HydrophobicContact CB-CH2 4.24Å; A457-W482 HydrophobicContact CB-CZ3 3.74Å; A457-V495 HydrophobicContact CB-CG2 3.86Å
458	T	94	Very high	94.8	Very high	71 Å²	71	29.1 Å²	29.1	44%	0.436	14%	0.141	S	C	.	.	H	α-helix	trans	-64	-38.2	178.6	-56	0	0	0	0	111.5	T454 V461 G462	T454-T458 WeakPolarHBondContact O-CB 3.05Å; T454-T458 PolarHBondContact O-N 2.98Å; T454-T458 PolarHBondContact O-OG1 3.5Å; T458-V461 PolarHBondContact O-N 2.83Å; T458-G462 PolarHBondContact O-N 2.8Å
459	R	95.1	Very high	94.7	Very high	81 Å²	81	36.3 Å²	36.3	31%	0.306	18%	0.18	S	C	.	.	H	α-helix	trans	-63.6	-45.5	174.1	-78.8	171.5	174.4	173.9	-20.7	112.1	D423 R455 D456 A457 V461 G462 Y463	D423-R459 VanDerWaalsContact CB-NH1 3.26Å; D423-R459 VanDerWaalsContact CG-NH2 3.3Å; D423-R459 IonicContact OD1-CZ 3.61Å; D423-R459 IonicContact OD1-NE 2.9Å; D423-R459 PolarHBondContact OD1-NE 3.02Å; D423-R459 IonicContact OD1-NH1 2.98Å; D423-R459 PolarHBondContact OD1-NH1 3.05Å; D423-R459 IonicContact OD1-NH2 3.51Å; D423-R459 PolarHBondContact OD1-NH2 3.16Å; D423-R459 VanDerWaalsContact OD1-NH2 3.17Å; D423-R459 IonicContact OD2-CZ 2.99Å; D423-R459 IonicContact OD2-NH1 3.94Å; D423-R459 PolarHBondContact OD2-NH1 3.13Å; D423-R459 IonicContact OD2-NH2 3.11Å; D423-R459 PolarHBondContact OD2-NH2 3.11Å; R455-R459 VanDerWaalsContact CD-NH1 3.28Å; R455-R459 WeakPolarHBondContact O-CB 3.34Å; R455-R459 WeakPolarHBondContact O-CD 3.05Å; R455-R459 VanDerWaalsContact O-CG 3.24Å; R455-R459 WeakPolarHBondContact O-CG 3.32Å; R455-R459 PolarHBondContact O-N 3.44Å; R455-R459 VanDerWaalsContact O-N 3.09Å; D456-R459 PolarHBondContact O-N 3.01Å; A457-R459 VanDerWaalsContact C-N 3.33Å; A457-R459 PolarHBondContact O-N 3Å; R459-V461 VanDerWaalsContact C-N 3.32Å; R459-V461 PolarHBondContact O-N 3.18Å; R459-G462 PolarHBondContact O-N 3.35Å; R459-Y463 WeakPolarHBondContact O-CD2 3.17Å; R459-Y463 PolarHBondContact O-N 3.27Å
460	F	97.1	Very high	94.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.7	-47.1	174.5	175.2	-100.5	0	0	0	111.4	F422 L440 L443 L444 L449 F451 D456 A457 G462 Y463 I464 I493	F422-F460 HydrophobicContact CD1-CB 3.76Å; F422-F460 HydrophobicContact CD1-CD2 4.22Å; F422-F460 HydrophobicContact CD2-CD2 4.46Å; F422-F460 HydrophobicContact CE1-CB 4.01Å; F422-F460 AromaticContact CE1-CD2 3.79Å; F422-F460 HydrophobicContact CE1-CD2 3.79Å; F422-F460 HydrophobicContact CE1-CG 4.41Å; F422-F460 HydrophobicContact CE2-CD2 4.05Å; F422-F460 HydrophobicContact CG-CB 4.29Å; F422-F460 AromaticContact CZ-CD2 3.71Å; F422-F460 HydrophobicContact CZ-CD2 3.71Å; F422-F460 HydrophobicContact CZ-CE2 4.44Å; L440-F460 HydrophobicContact CD2-CD2 4.16Å; L440-F460 HydrophobicContact CD2-CE2 3.86Å; L443-F460 HydrophobicContact CB-CE2 3.93Å; L443-F460 HydrophobicContact CB-CZ 3.88Å; L443-F460 HydrophobicContact CD1-CD2 4.25Å; L443-F460 HydrophobicContact CD1-CE2 3.63Å; L443-F460 HydrophobicContact CD1-CZ 4.4Å; L443-F460 HydrophobicContact CG-CE2 4.45Å; L444-F460 HydrophobicContact CD2-CE1 4.14Å; L444-F460 HydrophobicContact CD2-CZ 4.1Å; L444-F460 HydrophobicContact CG-CZ 4.38Å; L449-F460 HydrophobicContact CD2-CD1 3.84Å; L449-F460 HydrophobicContact CD2-CE1 3.33Å; L449-F460 HydrophobicContact CD2-CE2 4.29Å; L449-F460 HydrophobicContact CD2-CG 4.49Å; L449-F460 HydrophobicContact CD2-CZ 3.6Å; F451-F460 HydrophobicContact CE1-CB 4.17Å; F451-F460 HydrophobicContact CE1-CG 4.44Å; F451-F460 HydrophobicContact CE2-CB 4.06Å; F451-F460 AromaticContact CE2-CD1 3.91Å; F451-F460 HydrophobicContact CE2-CD1 3.91Å; F451-F460 HydrophobicContact CE2-CG 4.02Å; F451-F460 HydrophobicContact CZ-CB 3.55Å; F451-F460 AromaticContact CZ-CD1 3.84Å; F451-F460 HydrophobicContact CZ-CD1 3.84Å; F451-F460 AromaticContact CZ-CD2 3.97Å; F451-F460 HydrophobicContact CZ-CD2 3.97Å; F451-F460 AromaticContact CZ-CG 3.49Å; F451-F460 HydrophobicContact CZ-CG 3.49Å; F451-F460 VanDerWaalsContact CZ-CG 3.49Å; D456-F460 PolarHBondContact O-N 2.93Å; A457-F460 PolarHBondContact O-N 3.49Å; F460-G462 VanDerWaalsContact C-N 3.34Å; F460-G462 PolarHBondContact O-N 2.86Å; F460-Y463 PolarHBondContact O-N 3.01Å; F460-I464 HydrophobicContact CD1-CD1 4.46Å; F460-I464 HydrophobicContact CD1-CG2 4.42Å; F460-I464 HydrophobicContact CD2-CG2 4.35Å; F460-I464 HydrophobicContact CE1-CD1 4.02Å; F460-I464 HydrophobicContact CE1-CG2 3.89Å; F460-I464 HydrophobicContact CE2-CG2 3.8Å; F460-I464 HydrophobicContact CZ-CG2 3.55Å; F460-I464 PolarHBondContact O-N 2.9Å; F460-I493 HydrophobicContact CD1-CD1 4.01Å; F460-I493 HydrophobicContact CD1-CG2 4.42Å; F460-I493 HydrophobicContact CE1-CD1 3.74Å; F460-I493 HydrophobicContact CE1-CG1 4.35Å
461	V	96.4	Very high	94.4	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-45.4	176.4	168.9	0	0	0	0	111.5	A457 T458 R459 Y463 I464 Q465 V473 W482 I493	A457-V461 WeakPolarHBondContact O-CG2 3.37Å; A457-V461 PolarHBondContact O-N 3.43Å; T458-V461 PolarHBondContact O-N 2.83Å; R459-V461 VanDerWaalsContact C-N 3.32Å; R459-V461 PolarHBondContact O-N 3.18Å; V461-Y463 PolarHBondContact O-N 3.3Å; V461-I464 WeakPolarHBondContact O-CG1 3.41Å; V461-I464 PolarHBondContact O-N 3.29Å; V461-Q465 WeakPolarHBondContact O-CG 3.29Å; V461-Q465 PolarHBondContact O-N 3.21Å; V461-Q465 VanDerWaalsContact O-N 3.09Å; V461-V473 HydrophobicContact CG1-CG1 3.93Å; V461-W482 HydrophobicContact CG2-CB 4.09Å; V461-W482 HydrophobicContact CG2-CD2 4.11Å; V461-W482 HydrophobicContact CG2-CG 3.82Å; V461-I493 HydrophobicContact CG2-CD1 4.05Å; V461-I493 HydrophobicContact CG2-CG2 4.48Å
462	G	95.4	Very high	94.1	Very high	32 Å²	32	45 Å²	45	33%	0.33	25%	0.246	S	C	.	.	H	α-helix	trans	-58.6	-46.4	175.7	0	0	0	0	0	112.3	T458 R459 F460 Q465 E466	T458-G462 PolarHBondContact O-N 2.8Å; R459-G462 PolarHBondContact O-N 3.35Å; F460-G462 VanDerWaalsContact C-N 3.34Å; F460-G462 PolarHBondContact O-N 2.86Å; G462-Q465 PolarHBondContact O-N 2.93Å; G462-E466 WeakPolarHBondContact O-CB 3.43Å; G462-E466 PolarHBondContact O-N 3.16Å
463	Y	96.6	Very high	93.9	Very high	22 Å²	22	46.2 Å²	46.2	9%	0.086	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-38.7	-179.8	-78.9	-57.7	0	0	0	113.7	F422 P424 F429 R459 F460 V461 Q465 E466 R467	F422-Y463 AromaticContact CE1-CD2 3.9Å; F422-Y463 HydrophobicContact CE1-CD2 3.9Å; P424-Y463 HydrophobicContact CG-CD2 4.18Å; P424-Y463 HydrophobicContact CG-CE2 3.68Å; P424-Y463 PolarHBondContact O-OH 2.99Å; F429-Y463 AromaticContact CD2-CD1 3.7Å; F429-Y463 HydrophobicContact CD2-CD1 3.7Å; F429-Y463 AromaticContact CD2-CE1 3.74Å; F429-Y463 HydrophobicContact CD2-CE1 3.74Å; F429-Y463 HydrophobicContact CD2-CG 4.35Å; F429-Y463 AromaticContact CE2-CD1 3.32Å; F429-Y463 HydrophobicContact CE2-CD1 3.32Å; F429-Y463 AromaticContact CE2-CD2 3.89Å; F429-Y463 HydrophobicContact CE2-CD2 3.89Å; F429-Y463 AromaticContact CE2-CE1 3.51Å; F429-Y463 HydrophobicContact CE2-CE1 3.51Å; F429-Y463 HydrophobicContact CE2-CE2 4.02Å; F429-Y463 AromaticContact CE2-CG 3.52Å; F429-Y463 HydrophobicContact CE2-CG 3.52Å; F429-Y463 AromaticContact CE2-CZ 3.84Å; F429-Y463 HydrophobicContact CZ-CD1 4.21Å; F429-Y463 HydrophobicContact CZ-CD2 4.36Å; F429-Y463 HydrophobicContact CZ-CG 4.03Å; R459-Y463 WeakPolarHBondContact O-CD2 3.17Å; R459-Y463 PolarHBondContact O-N 3.27Å; F460-Y463 PolarHBondContact O-N 3.01Å; V461-Y463 PolarHBondContact O-N 3.3Å; Y463-Q465 VanDerWaalsContact C-N 3.34Å; Y463-E466 PolarHBondContact O-N 3.44Å; Y463-R467 WeakPolarHBondContact O-CB 3.3Å; Y463-R467 VanDerWaalsContact O-CG 3.31Å; Y463-R467 WeakPolarHBondContact O-CG 3.31Å; Y463-R467 PolarHBondContact O-N 2.93Å
464	I	96.5	Very high	93.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-40.4	175.1	62.4	177.1	0	0	0	110.9	L440 L444 F460 V461 R467 L468 V471 V473 A484 I493	L440-I464 HydrophobicContact CB-CG2 4.4Å; L440-I464 HydrophobicContact CD2-CG2 4.2Å; L444-I464 HydrophobicContact CD1-CB 4.36Å; L444-I464 HydrophobicContact CD1-CG2 4.16Å; L444-I464 HydrophobicContact CD2-CD1 3.98Å; L444-I464 HydrophobicContact CG-CG2 4.39Å; F460-I464 HydrophobicContact CD1-CD1 4.46Å; F460-I464 HydrophobicContact CD1-CG2 4.42Å; F460-I464 HydrophobicContact CD2-CG2 4.35Å; F460-I464 HydrophobicContact CE1-CD1 4.02Å; F460-I464 HydrophobicContact CE1-CG2 3.89Å; F460-I464 HydrophobicContact CE2-CG2 3.8Å; F460-I464 HydrophobicContact CZ-CG2 3.55Å; F460-I464 PolarHBondContact O-N 2.9Å; V461-I464 WeakPolarHBondContact O-CG1 3.41Å; V461-I464 PolarHBondContact O-N 3.29Å; I464-R467 PolarHBondContact O-N 2.82Å; I464-L468 HydrophobicContact CB-CD1 4.22Å; I464-L468 HydrophobicContact CG2-CD1 4.19Å; I464-L468 WeakPolarHBondContact O-CB 3.35Å; I464-L468 PolarHBondContact O-N 2.92Å; I464-V471 HydrophobicContact CD1-CG2 4.35Å; I464-V471 WeakPolarHBondContact O-CG1 3.18Å; I464-V473 HydrophobicContact CD1-CG2 3.99Å; I464-V473 HydrophobicContact CG1-CG2 4.44Å; I464-A484 HydrophobicContact CD1-CB 3.99Å; I464-I493 HydrophobicContact CD1-CD1 4.09Å
465	Q	94.8	Very high	93.1	Very high	110 Å²	110	52.7 Å²	52.7	51%	0.514	29%	0.286	S	S	.	.	H	α-helix	trans	-66.9	-36.8	178	-70.7	-179.8	-66.1	0	0	112.4	V461 G462 Y463 V471 V473	V461-Q465 WeakPolarHBondContact O-CG 3.29Å; V461-Q465 PolarHBondContact O-N 3.21Å; V461-Q465 VanDerWaalsContact O-N 3.09Å; G462-Q465 PolarHBondContact O-N 2.93Å; Y463-Q465 VanDerWaalsContact C-N 3.34Å; Q465-V471 HydrophobicContact CG-CG1 4.43Å; Q465-V473 HydrophobicContact CG-CB 4.3Å; Q465-V473 HydrophobicContact CG-CG2 3.72Å
466	E	94.3	Very high	92.3	Very high	112 Å²	112	51.5 Å²	51.5	52%	0.523	28%	0.284	S	S	.	.	H	α-helix	trans	-74.7	-35	178.6	-174.6	-169.5	140.7	0	0	112.6	G462 Y463	G462-E466 WeakPolarHBondContact O-CB 3.43Å; G462-E466 PolarHBondContact O-N 3.16Å; Y463-E466 PolarHBondContact O-N 3.44Å
467	R	92.5	Very high	91.1	Very high	86 Å²	86	55.7 Å²	55.7	33%	0.325	31%	0.31	S	S	.	.	H	α-helix	trans	-112.6	-13.6	-165	-57.3	-62.9	177.7	145.9	-2.2	115.4	L440 Y463 I464	L440-R467 HydrophobicContact CD1-CB 3.99Å; L440-R467 HydrophobicContact CD1-CG 4.47Å; Y463-R467 WeakPolarHBondContact O-CB 3.3Å; Y463-R467 VanDerWaalsContact O-CG 3.31Å; Y463-R467 WeakPolarHBondContact O-CG 3.31Å; Y463-R467 PolarHBondContact O-N 2.93Å; I464-R467 PolarHBondContact O-N 2.82Å
468	L	93.2	Very high	89.8	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.026	35%	0.349	C	S	.	.	S	Bend	trans	-119	101.7	-178.3	-59.3	-178.3	0	0	0	111	T437 L440 R441 L444 I464 G470 V471 Y486	T437-L468 HydrophobicContact CG2-CD2 3.92Å; L440-L468 HydrophobicContact CB-CD1 3.95Å; L440-L468 HydrophobicContact CB-CG 4.42Å; R441-L468 HydrophobicContact CG-CD1 4.36Å; R441-L468 HydrophobicContact CG-CD2 3.8Å; L444-L468 HydrophobicContact CD1-CD1 3.54Å; I464-L468 HydrophobicContact CB-CD1 4.22Å; I464-L468 HydrophobicContact CG2-CD1 4.19Å; I464-L468 WeakPolarHBondContact O-CB 3.35Å; I464-L468 PolarHBondContact O-N 2.92Å; L468-G470 PolarHBondContact O-N 3.38Å; L468-V471 HydrophobicContact CB-CB 4.45Å; L468-V471 VanDerWaalsContact O-CG1 3.27Å; L468-V471 WeakPolarHBondContact O-CG1 3.5Å; L468-V471 PolarHBondContact O-N 3.13Å; L468-Y486 HydrophobicContact CB-CD2 4.35Å; L468-Y486 HydrophobicContact CB-CE2 3.94Å
469	D	90.8	Very high	88.6	Confident	153 Å²	153	62.8 Å²	62.8	82%	0.818	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	136.2	175.8	-64.3	-32.1	0	0	0	111.8	V471 Y486	D469-V471 VanDerWaalsContact C-N 3.33Å; D469-Y486 WeakPolarHBondContact O-CE2 3.49Å
470	G	90.4	Very high	87.9	Confident	67 Å²	67	62.5 Å²	62.5	69%	0.691	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	5.8	179.5	0	0	0	0	0	115.1	L468	L468-G470 PolarHBondContact O-N 3.38Å
471	V	93.7	Very high	87.3	Confident	24 Å²	24	62.7 Å²	62.7	15%	0.145	36%	0.356	C	S	.	.			trans	-71.3	131.2	168.2	74.2	0	0	0	0	110.3	L444 I464 Q465 L468 D469 V473 A484 E485 Y486	L444-V471 HydrophobicContact CD1-CG2 4.25Å; I464-V471 HydrophobicContact CD1-CG2 4.35Å; I464-V471 WeakPolarHBondContact O-CG1 3.18Å; Q465-V471 HydrophobicContact CG-CG1 4.43Å; L468-V471 HydrophobicContact CB-CB 4.45Å; L468-V471 VanDerWaalsContact O-CG1 3.27Å; L468-V471 WeakPolarHBondContact O-CG1 3.5Å; L468-V471 PolarHBondContact O-N 3.13Å; D469-V471 VanDerWaalsContact C-N 3.33Å; V471-V473 HydrophobicContact CG2-CG2 4.09Å; V471-A484 HydrophobicContact CG2-CB 4.38Å; V471-E485 WeakPolarHBondContact CA-O 3.4Å; V471-Y486 HydrophobicContact CB-CD2 4.12Å
472	V	90.5	Very high	87	Confident	91 Å²	91	62.5 Å²	62.5	55%	0.552	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.3	171.9	-180	0	0	0	0	108	A484 E485	V472-A484 CarbonylContact O-C 3.59Å; V472-A484 WeakPolarHBondContact O-CA 3.44Å; V472-E485 PolarHBondContact N-O 3.45Å; V472-E485 PolarHBondContact O-N 3.31Å
473	V	90.4	Very high	86.8	Confident	29 Å²	29	62.1 Å²	62.1	18%	0.176	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132	177.4	-176	0	0	0	0	110	V461 I464 Q465 V471 W482 Y483 A484	V461-V473 HydrophobicContact CG1-CG1 3.93Å; I464-V473 HydrophobicContact CD1-CG2 3.99Å; I464-V473 HydrophobicContact CG1-CG2 4.44Å; Q465-V473 HydrophobicContact CG-CB 4.3Å; Q465-V473 HydrophobicContact CG-CG2 3.72Å; V471-V473 HydrophobicContact CG2-CG2 4.09Å; V473-W482 HydrophobicContact CG1-CB 4.19Å; V473-Y483 CarbonylContact C-O 3.45Å; V473-Y483 VanDerWaalsContact CA-O 3.31Å; V473-Y483 WeakPolarHBondContact CA-O 3.4Å; V473-A484 HydrophobicContact CG2-CB 4.2Å
474	V	85.3	Confident	86.5	Confident	55 Å²	55	61.2 Å²	61.2	33%	0.333	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.2	170.8	-172.8	0	0	0	0	109.8	W482 Y483 K740	V474-W482 CarbonylContact O-C 3.59Å; V474-W482 WeakPolarHBondContact O-CA 3.38Å; V474-Y483 PolarHBondContact N-O 3.02Å; V474-Y483 PolarHBondContact O-N 3.48Å; V474-K740 VanDerWaalsContact CG1-NZ 3.26Å
475	E	83.7	Confident	86.3	Confident	101 Å²	101	65.1 Å²	65.1	47%	0.472	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	142.3	-179.7	-178.1	173.4	150.8	0	0	112.2	T477 W482	E475-T477 WeakPolarHBondContact OE1-CB 3.43Å; E475-T477 PolarHBondContact OE1-OG1 3Å; E475-W482 VanDerWaalsContact CD-NE1 3.34Å; E475-W482 PolarHBondContact OE2-NE1 2.96Å; E475-W482 VanDerWaalsContact OE2-NE1 3.13Å
476	N	76.2	Confident	86.1	Confident	36 Å²	36	61.1 Å²	61.1	19%	0.193	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	89.3	162.2	-175.9	-23.3	0	0	0	108.4	A478 K479 Q480 K481 E743	N476-A478 VanDerWaalsContact C-N 3.27Å; N476-A478 PolarHBondContact O-N 3.36Å; N476-A478 PolarHBondContact OD1-N 2.81Å; N476-K479 PolarHBondContact O-N 3.12Å; N476-K479 PolarHBondContact OD1-N 3.16Å; N476-Q480 PolarHBondContact O-N 3.18Å; N476-Q480 VanDerWaalsContact O-N 3.16Å; N476-K481 HydrophobicContact CB-CB 4.46Å; N476-K481 PolarHBondContact N-O 3.49Å; N476-K481 PolarHBondContact O-N 2.78Å; N476-E743 PolarHBondContact ND2-OE2 3.3Å; N476-E743 VanDerWaalsContact ND2-OE2 3.12Å
477	T	71.6	Confident	85.7	Confident	87 Å²	87	61.1 Å²	61.1	53%	0.534	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-61.6	-34.4	-174.6	-45.2	0	0	0	0	112.3	E475 K479 Q480	E475-T477 WeakPolarHBondContact OE1-CB 3.43Å; E475-T477 PolarHBondContact OE1-OG1 3Å; T477-K479 PolarHBondContact O-N 3.39Å; T477-Q480 PolarHBondContact O-N 3.46Å; T477-Q480 PolarHBondContact O-NE2 2.65Å
478	A	67	Low	85.2	Confident	99 Å²	99	60 Å²	60	82%	0.818	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-63.5	-31	179.7	0	0	0	0	0	112.7	N476	N476-A478 VanDerWaalsContact C-N 3.27Å; N476-A478 PolarHBondContact O-N 3.36Å; N476-A478 PolarHBondContact OD1-N 2.81Å
479	K	69	Low	84.8	Confident	122 Å²	122	60.9 Å²	60.9	53%	0.53	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-106.6	5.1	-179.2	-65.9	-173.2	178.6	178.5	0	114	N476 T477 K481	N476-K479 PolarHBondContact O-N 3.12Å; N476-K479 PolarHBondContact OD1-N 3.16Å; T477-K479 PolarHBondContact O-N 3.39Å; K479-K481 VanDerWaalsContact C-N 3.26Å; K479-K481 HydrophobicContact CB-CB 4.14Å; K479-K481 PolarHBondContact O-N 2.59Å
480	Q	79.5	Confident	84.7	Confident	74 Å²	74	57.4 Å²	57.4	35%	0.346	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	50.8	-175	-61.4	-64.3	-34.5	0	0	111.5	N476 T477 W482	N476-Q480 PolarHBondContact O-N 3.18Å; N476-Q480 VanDerWaalsContact O-N 3.16Å; T477-Q480 PolarHBondContact O-N 3.46Å; T477-Q480 PolarHBondContact O-NE2 2.65Å; Q480-W482 VanDerWaalsContact C-CZ3 3.47Å; Q480-W482 HydrophobicContact CB-CH2 4.48Å; Q480-W482 WeakPolarHBondContact O-CZ3 3.4Å
481	K	84.5	Confident	84.7	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.017	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.8	-169.2	-178.2	178.9	-172.2	-173.1	0	110.2	N476 K479 Y483 I493 W737 E743	N476-K481 HydrophobicContact CB-CB 4.46Å; N476-K481 PolarHBondContact N-O 3.49Å; N476-K481 PolarHBondContact O-N 2.78Å; K479-K481 VanDerWaalsContact C-N 3.26Å; K479-K481 HydrophobicContact CB-CB 4.14Å; K479-K481 PolarHBondContact O-N 2.59Å; K481-Y483 HydrophobicContact CD-CE2 4.28Å; K481-Y483 WeakPolarHBondContact CE-OH 3.49Å; K481-Y483 HydrophobicContact CG-CE2 4.38Å; K481-Y483 PolarHBondContact NZ-OH 2.97Å; K481-I493 WeakPolarHBondContact CA-O 3.42Å; K481-W737 HydrophobicContact CB-CZ2 4.2Å; K481-W737 HydrophobicContact CD-CD2 4.38Å; K481-W737 HydrophobicContact CD-CH2 4.45Å; K481-W737 HydrophobicContact CD-CZ2 3.83Å; K481-W737 WeakPolarHBondContact CE-O 3.43Å; K481-W737 HydrophobicContact CG-CH2 4.05Å; K481-W737 HydrophobicContact CG-CZ2 3.63Å; K481-W737 PolarHBondContact NZ-O 3.16Å; K481-E743 IonicContact NZ-OE1 3.75Å; K481-E743 PolarHBondContact NZ-OE1 3.42Å
482	W	90.8	Very high	84.6	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.015	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.7	176.8	-55.7	-101.4	0	0	0	110.4	T454 A457 V461 V473 V474 E475 Q480 I493 V495	T454-W482 HydrophobicContact CG2-CH2 4.15Å; A457-W482 HydrophobicContact CB-CE3 4.34Å; A457-W482 HydrophobicContact CB-CH2 4.24Å; A457-W482 HydrophobicContact CB-CZ3 3.74Å; V461-W482 HydrophobicContact CG2-CB 4.09Å; V461-W482 HydrophobicContact CG2-CD2 4.11Å; V461-W482 HydrophobicContact CG2-CG 3.82Å; V473-W482 HydrophobicContact CG1-CB 4.19Å; V474-W482 CarbonylContact O-C 3.59Å; V474-W482 WeakPolarHBondContact O-CA 3.38Å; E475-W482 VanDerWaalsContact CD-NE1 3.34Å; E475-W482 PolarHBondContact OE2-NE1 2.96Å; E475-W482 VanDerWaalsContact OE2-NE1 3.13Å; Q480-W482 VanDerWaalsContact C-CZ3 3.47Å; Q480-W482 HydrophobicContact CB-CH2 4.48Å; Q480-W482 WeakPolarHBondContact O-CZ3 3.4Å; W482-I493 HydrophobicContact CB-CB 4.21Å; W482-I493 HydrophobicContact CE3-CG2 4.34Å; W482-I493 PolarHBondContact N-O 3Å; W482-I493 PolarHBondContact O-N 2.76Å; W482-V495 HydrophobicContact CZ3-CG2 4.25Å
483	Y	90.6	Very high	84.9	Confident	23 Å²	23	48.9 Å²	48.9	9%	0.09	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114	173.6	-61	-81.4	0	0	0	108.3	V473 V474 K481 K740 E743	V473-Y483 CarbonylContact C-O 3.45Å; V473-Y483 VanDerWaalsContact CA-O 3.31Å; V473-Y483 WeakPolarHBondContact CA-O 3.4Å; V474-Y483 PolarHBondContact N-O 3.02Å; V474-Y483 PolarHBondContact O-N 3.48Å; K481-Y483 HydrophobicContact CD-CE2 4.28Å; K481-Y483 WeakPolarHBondContact CE-OH 3.49Å; K481-Y483 HydrophobicContact CG-CE2 4.38Å; K481-Y483 PolarHBondContact NZ-OH 2.97Å; Y483-K740 HydrophobicContact CD1-CB 3.97Å; Y483-K740 HydrophobicContact CD2-CB 3.94Å; Y483-K740 HydrophobicContact CD2-CD 4.09Å; Y483-K740 HydrophobicContact CD2-CG 4.12Å; Y483-K740 HydrophobicContact CE1-CB 3.76Å; Y483-K740 HydrophobicContact CE2-CB 3.72Å; Y483-K740 HydrophobicContact CE2-CD 4.28Å; Y483-K740 HydrophobicContact CE2-CG 3.84Å; Y483-K740 HydrophobicContact CG-CB 4.02Å; Y483-K740 WeakPolarHBondContact OH-CA 3.39Å; Y483-E743 PolarHBondContact OH-OE1 2.97Å
484	A	91.6	Very high	85	Confident	3 Å²	3	47.5 Å²	47.5	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.2	175.2	0	0	0	0	0	110	L444 I464 V471 V472 V473 K490 C491 I493	L444-A484 HydrophobicContact CD2-CB 3.82Å; I464-A484 HydrophobicContact CD1-CB 3.99Å; V471-A484 HydrophobicContact CG2-CB 4.38Å; V472-A484 CarbonylContact O-C 3.59Å; V472-A484 WeakPolarHBondContact O-CA 3.44Å; V473-A484 HydrophobicContact CG2-CB 4.2Å; A484-K490 CarbonylContact O-C 3.58Å; A484-K490 WeakPolarHBondContact O-CA 3.36Å; A484-C491 PolarHBondContact N-O 3.26Å; A484-C491 PolarHBondContact O-N 2.81Å; A484-I493 HydrophobicContact CB-CD1 3.89Å
485	E	91.6	Very high	85.3	Confident	82 Å²	82	46.3 Å²	46.3	38%	0.383	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.5	168.7	-175.2	167.5	171.9	0	0	109.1	V471 V472 V489 K490	V471-E485 WeakPolarHBondContact CA-O 3.4Å; V472-E485 PolarHBondContact N-O 3.45Å; V472-E485 PolarHBondContact O-N 3.31Å; E485-V489 WeakPolarHBondContact CA-O 3.29Å; E485-K490 HydrophobicContact CB-CG 4.47Å; E485-K490 HydrophobicContact CG-CG 4.17Å; E485-K490 VanDerWaalsContact OE2-CE 3.23Å; E485-K490 WeakPolarHBondContact OE2-CE 3.28Å; E485-K490 IonicContact OE2-NZ 3.39Å
486	Y	90.7	Very high	85.8	Confident	27 Å²	27	41.9 Å²	41.9	11%	0.106	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	124.7	-180	-179.1	-109.5	0	0	0	109.9	R441 L444 L468 D469 V471 G488 V489	R441-Y486 HydrophobicContact CG-CE1 3.93Å; L444-Y486 HydrophobicContact CD1-CD1 4.27Å; L444-Y486 HydrophobicContact CD1-CG 4.04Å; L468-Y486 HydrophobicContact CB-CD2 4.35Å; L468-Y486 HydrophobicContact CB-CE2 3.94Å; D469-Y486 WeakPolarHBondContact O-CE2 3.49Å; V471-Y486 HydrophobicContact CB-CD2 4.12Å; Y486-G488 PolarHBondContact O-N 3.24Å; Y486-V489 PolarHBondContact N-O 3.47Å; Y486-V489 PolarHBondContact O-N 2.98Å
487	Q	85.8	Confident	86.6	Confident	112 Å²	112	41.9 Å²	41.9	52%	0.523	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	41.7	-177.1	-59.4	177.4	-28.5	0	0	112.9	V489	Q487-V489 PolarHBondContact O-N 3.43Å
488	G	81.6	Confident	87.6	Confident	61 Å²	61	38 Å²	38	63%	0.629	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.6	0.7	-178.6	0	0	0	0	0	115.6	Y486	Y486-G488 PolarHBondContact O-N 3.24Å
489	V	84.9	Confident	88.8	Confident	25 Å²	25	33.2 Å²	33.2	15%	0.152	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.2	174.6	-176.5	0	0	0	0	109.3	K445 E485 Y486 Q487	K445-V489 HydrophobicContact CD-CG2 4.19Å; E485-V489 WeakPolarHBondContact CA-O 3.29Å; Y486-V489 PolarHBondContact N-O 3.47Å; Y486-V489 PolarHBondContact O-N 2.98Å; Q487-V489 PolarHBondContact O-N 3.43Å
490	K	88.3	Confident	89.7	Confident	80 Å²	80	27.5 Å²	27.5	35%	0.348	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.6	178.1	-61.7	-176.9	179.7	-169.9	0	110.4	Q447 A484 E485	Q447-K490 PolarHBondContact NE2-O 3.03Å; Q447-K490 PolarHBondContact OE1-O 3.45Å; A484-K490 CarbonylContact O-C 3.58Å; A484-K490 WeakPolarHBondContact O-CA 3.36Å; E485-K490 HydrophobicContact CB-CG 4.47Å; E485-K490 HydrophobicContact CG-CG 4.17Å; E485-K490 VanDerWaalsContact OE2-CE 3.23Å; E485-K490 WeakPolarHBondContact OE2-CE 3.28Å; E485-K490 IonicContact OE2-NZ 3.39Å
491	C	91.6	Very high	90.1	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.014	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.6	178.6	178.7	0	0	0	0	109.6	L444 F446 Q447 A484	L444-C491 HydrophobicContact CD2-CB 4.2Å; F446-C491 WeakPolarHBondContact O-CB 3.22Å; F446-C491 PolarHBondContact O-SG 2.96Å; F446-C491 VanDerWaalsContact O-SG 3.34Å; Q447-C491 WeakPolarHBondContact O-CA 3.47Å; A484-C491 PolarHBondContact N-O 3.26Å; A484-C491 PolarHBondContact O-N 2.81Å
492	S	92.3	Very high	90.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134.3	167.5	57.4	0	0	0	0	109.7	Q447 K448 L449 W737	Q447-S492 PolarHBondContact O-N 3.2Å; Q447-S492 PolarHBondContact O-OG 3.43Å; Q447-S492 VanDerWaalsContact O-OG 3.07Å; K448-S492 CarbonylContact C-O 3.21Å; L449-S492 PolarHBondContact N-O 3.06Å; S492-W737 VanDerWaalsContact CB-CZ3 3.49Å; S492-W737 VanDerWaalsContact OG-CZ3 3.3Å; S492-W737 WeakPolarHBondContact OG-CZ3 3.36Å
493	I	95	Very high	90.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133	-175.3	-55.8	163.4	0	0	0	109.4	L449 F451 F460 V461 I464 K481 W482 A484 W737	L449-I493 HydrophobicContact CB-CG1 4.28Å; L449-I493 HydrophobicContact CD2-CG1 4.25Å; L449-I493 WeakPolarHBondContact O-CA 3.43Å; F451-I493 HydrophobicContact CD2-CG2 3.92Å; F451-I493 HydrophobicContact CE2-CG2 3.67Å; F460-I493 HydrophobicContact CD1-CD1 4.01Å; F460-I493 HydrophobicContact CD1-CG2 4.42Å; F460-I493 HydrophobicContact CE1-CD1 3.74Å; F460-I493 HydrophobicContact CE1-CG1 4.35Å; V461-I493 HydrophobicContact CG2-CD1 4.05Å; V461-I493 HydrophobicContact CG2-CG2 4.48Å; I464-I493 HydrophobicContact CD1-CD1 4.09Å; K481-I493 WeakPolarHBondContact CA-O 3.42Å; W482-I493 HydrophobicContact CB-CB 4.21Å; W482-I493 HydrophobicContact CE3-CG2 4.34Å; W482-I493 PolarHBondContact N-O 3Å; W482-I493 PolarHBondContact O-N 2.76Å; A484-I493 HydrophobicContact CB-CD1 3.89Å; I493-W737 WeakPolarHBondContact O-CH2 3.35Å
494	G	92.6	Very high	90	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	174.3	-170.9	0	0	0	0	0	115.4	L449 G450 F451	L449-G494 PolarHBondContact O-N 3.22Å; G450-G494 WeakPolarHBondContact CA-O 3.43Å; F451-G494 PolarHBondContact N-O 3.33Å
495	V	93.2	Very high	90	Very high	30 Å²	30	34.4 Å²	34.4	18%	0.182	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.5	-170.9	-175.4	0	0	0	0	109.6	F451 A457 W482 P497	F451-V495 CarbonylContact O-C 3.57Å; F451-V495 WeakPolarHBondContact O-CA 3.45Å; A457-V495 HydrophobicContact CB-CG2 3.86Å; W482-V495 HydrophobicContact CZ3-CG2 4.25Å; V495-P497 HydrophobicContact CG1-CG 4.3Å
496	F	93.3	Very high	90.1	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.035	18%	0.175	C	C	.	.			trans	-133.6	91	177.5	-43.4	-98.5	0	0	0	108.4	F417 F451 Q452 V498 W728 N731 Y732 W737	F417-F496 HydrophobicContact CE2-CB 3.89Å; F417-F496 HydrophobicContact CE2-CD2 4.2Å; F417-F496 HydrophobicContact CE2-CG 4.47Å; F417-F496 WeakPolarHBondContact CZ-O 3.45Å; F451-F496 PolarHBondContact O-N 2.89Å; Q452-F496 PolarHBondContact OE1-O 2.86Å; F496-V498 PolarHBondContact O-N 3.46Å; F496-V498 VanDerWaalsContact O-N 3.13Å; F496-W728 PolarHBondContact O-NE1 3.46Å; F496-N731 HydrophobicContact CD1-CB 3.84Å; F496-N731 HydrophobicContact CE1-CB 4.2Å; F496-N731 VanDerWaalsContact CE1-O 3.31Å; F496-N731 WeakPolarHBondContact CE1-O 2.91Å; F496-Y732 HydrophobicContact CD1-CD2 4.49Å; F496-Y732 AromaticContact CD2-CD2 3.68Å; F496-Y732 HydrophobicContact CD2-CD2 3.68Å; F496-Y732 HydrophobicContact CD2-CE2 4.42Å; F496-Y732 AromaticContact CE2-CD2 3.74Å; F496-Y732 HydrophobicContact CE2-CD2 3.74Å; F496-Y732 HydrophobicContact CE2-CE2 4.29Å; F496-Y732 HydrophobicContact CG-CD2 4.05Å; F496-Y732 HydrophobicContact CZ-CD2 4.16Å; F496-W737 HydrophobicContact CE1-CD2 4.29Å; F496-W737 AromaticContact CE1-CE2 3.95Å; F496-W737 HydrophobicContact CE1-CZ2 4.3Å; F496-W737 AromaticContact CE1-NE1 3.95Å; F496-W737 AromaticContact CE2-CH2 3.91Å; F496-W737 HydrophobicContact CE2-CH2 3.91Å; F496-W737 AromaticContact CE2-CZ2 3.96Å; F496-W737 HydrophobicContact CE2-CZ2 3.96Å; F496-W737 HydrophobicContact CE2-CZ3 4.27Å; F496-W737 AromaticContact CZ-CD2 3.67Å; F496-W737 HydrophobicContact CZ-CD2 3.67Å; F496-W737 AromaticContact CZ-CE2 3.37Å; F496-W737 AromaticContact CZ-CE3 3.94Å; F496-W737 HydrophobicContact CZ-CE3 3.94Å; F496-W737 HydrophobicContact CZ-CG 4.36Å; F496-W737 AromaticContact CZ-CH2 3.68Å; F496-W737 HydrophobicContact CZ-CH2 3.68Å; F496-W737 AromaticContact CZ-CZ2 3.42Å; F496-W737 HydrophobicContact CZ-CZ2 3.42Å; F496-W737 VanDerWaalsContact CZ-CZ2 3.42Å; F496-W737 AromaticContact CZ-CZ3 3.91Å; F496-W737 HydrophobicContact CZ-CZ3 3.91Å; F496-W737 AromaticContact CZ-NE1 3.86Å
497	P	93.1	Very high	90.2	Very high	37 Å²	37	39 Å²	39	24%	0.24	21%	0.205	C	C	.	.			trans	-65.3	114.2	-179.3	-20.5	33.1	0	0	0	110.4	V495 M640 Q667	V495-P497 HydrophobicContact CG1-CG 4.3Å; P497-M640 HydrophobicContact CB-CE 3.73Å; P497-Q667 VanDerWaalsContact CB-CD 3.49Å; P497-Q667 HydrophobicContact CB-CG 4.2Å; P497-Q667 HydrophobicContact CG-CG 4.18Å
498	V	92.6	Very high	90.6	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.024	19%	0.187	C	C	.	.			trans	-65	150.2	177.3	73.6	0	0	0	0	111.1	C260 F496 M640 L642 K645 I725 W728	C260-V498 WeakPolarHBondContact SG-CG2 3.46Å; F496-V498 PolarHBondContact O-N 3.46Å; F496-V498 VanDerWaalsContact O-N 3.13Å; V498-M640 HydrophobicContact CG1-CB 3.71Å; V498-M640 HydrophobicContact CG1-CG 3.64Å; V498-M640 WeakPolarHBondContact O-CG 3.35Å; V498-L642 HydrophobicContact CG1-CD2 4.01Å; V498-K645 PolarHBondContact O-NZ 3.33Å; V498-I725 HydrophobicContact CG2-CD1 3.63Å; V498-W728 HydrophobicContact CB-CD2 4.45Å; V498-W728 HydrophobicContact CB-CG 4.45Å; V498-W728 HydrophobicContact CG2-CD2 4.1Å; V498-W728 HydrophobicContact CG2-CE3 4.43Å; V498-W728 HydrophobicContact CG2-CG 4.43Å; V498-W728 HydrophobicContact CG2-CZ2 4.44Å
499	S	91.2	Very high	91.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.			trans	-136.2	-178.2	-178.8	-148.1	0	0	0	0	112.2	N723 I725	S499-N723 WeakPolarHBondContact CB-O 3.49Å; S499-N723 PolarHBondContact OG-O 3.32Å; S499-I725 VanDerWaalsContact O-CD1 3.32Å; S499-I725 WeakPolarHBondContact O-CD1 3.24Å
500	V	88.9	Confident	91.6	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	18%	0.184	C	C	.	.			trans	-93.1	159.3	177.5	-62.8	0	0	0	0	110.8	N502 F505 L642 K645 E646 L649 I725	V500-N502 PolarHBondContact O-N 2.97Å; V500-F505 HydrophobicContact CB-CD2 4.28Å; V500-F505 HydrophobicContact CB-CE2 4.03Å; V500-F505 HydrophobicContact CG1-CE2 4.28Å; V500-F505 HydrophobicContact CG2-CD2 4.44Å; V500-L642 HydrophobicContact CG1-CB 4.03Å; V500-L642 HydrophobicContact CG1-CD2 4.11Å; V500-L642 HydrophobicContact CG1-CG 4.47Å; V500-K645 HydrophobicContact CG1-CB 4.49Å; V500-K645 HydrophobicContact CG2-CB 4.4Å; V500-E646 HydrophobicContact CG1-CG 3.81Å; V500-L649 HydrophobicContact CG2-CD2 3.88Å; V500-I725 PolarHBondContact O-N 2.82Å
501	K	87.2	Confident	92	Very high	55 Å²	55	38 Å²	38	24%	0.239	18%	0.181	C	C	.	.			trans	-78.4	105.9	168.5	-172.8	162.1	172.6	-114.9	0	109.1	E503 D504 I725	K501-E503 VanDerWaalsContact C-N 3.34Å; K501-E503 WeakPolarHBondContact CG-OE2 3.47Å; K501-E503 PolarHBondContact O-N 3.22Å; K501-D504 HydrophobicContact CB-CB 4.44Å; K501-D504 IonicContact NZ-OD1 3.48Å; K501-D504 PolarHBondContact NZ-OD1 3.47Å; K501-D504 IonicContact NZ-OD2 3.4Å; K501-D504 PolarHBondContact O-N 3.24Å; K501-I725 HydrophobicContact CB-CG2 3.87Å; K501-I725 HydrophobicContact CG-CG2 4.25Å
502	N	89.8	Confident	92.2	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.043	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-40.1	-167.2	-69.5	-22.2	0	0	0	112.5	V500 D504 F505 L506 L649 V721 D724	V500-N502 PolarHBondContact O-N 2.97Å; N502-D504 VanDerWaalsContact C-N 3.25Å; N502-D504 PolarHBondContact O-N 2.99Å; N502-F505 PolarHBondContact O-N 3.29Å; N502-L506 HydrophobicContact CB-CD1 4.33Å; N502-L506 WeakPolarHBondContact O-CB 3.09Å; N502-L506 WeakPolarHBondContact O-CG 3.43Å; N502-L506 PolarHBondContact O-N 3.41Å; N502-L649 HydrophobicContact CB-CD1 4.44Å; N502-L649 HydrophobicContact CB-CD2 4.15Å; N502-V721 WeakPolarHBondContact ND2-CA 3.46Å; N502-V721 PolarHBondContact ND2-O 3.36Å; N502-D724 WeakPolarHBondContact ND2-CB 3.37Å
503	E	88.3	Confident	92.4	Very high	107 Å²	107	48.9 Å²	48.9	50%	0.5	23%	0.231	S	C	.	.	H	α-helix	trans	-61.8	-34.9	-178	-55.9	83.9	-159.1	0	0	112.3	K501 F505 K507	K501-E503 VanDerWaalsContact C-N 3.34Å; K501-E503 WeakPolarHBondContact CG-OE2 3.47Å; K501-E503 PolarHBondContact O-N 3.22Å; E503-F505 VanDerWaalsContact C-N 3.25Å; E503-F505 PolarHBondContact O-N 2.78Å; E503-K507 VanDerWaalsContact O-CB 3.23Å; E503-K507 WeakPolarHBondContact O-CB 3.4Å; E503-K507 PolarHBondContact O-N 2.75Å
504	D	86.9	Confident	92.5	Very high	68 Å²	68	48.9 Å²	48.9	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-65.4	-30.7	-176.8	-68.8	-0.1	0	0	0	111.9	K501 N502 L508	K501-D504 HydrophobicContact CB-CB 4.44Å; K501-D504 IonicContact NZ-OD1 3.48Å; K501-D504 PolarHBondContact NZ-OD1 3.47Å; K501-D504 IonicContact NZ-OD2 3.4Å; K501-D504 PolarHBondContact O-N 3.24Å; N502-D504 VanDerWaalsContact C-N 3.25Å; N502-D504 PolarHBondContact O-N 2.99Å; D504-L508 WeakPolarHBondContact O-CG 3.38Å
505	F	91.5	Very high	92.7	Very high	14 Å²	14	52.1 Å²	52.1	6%	0.061	25%	0.246	C	C	.	.	H	α-helix	trans	-92.5	-41.1	177.3	-73.5	-87.1	0	0	0	112.4	V500 N502 E503 K507 L508 T509 V622 Y625 E646 L649	V500-F505 HydrophobicContact CB-CD2 4.28Å; V500-F505 HydrophobicContact CB-CE2 4.03Å; V500-F505 HydrophobicContact CG1-CE2 4.28Å; V500-F505 HydrophobicContact CG2-CD2 4.44Å; N502-F505 PolarHBondContact O-N 3.29Å; E503-F505 VanDerWaalsContact C-N 3.25Å; E503-F505 PolarHBondContact O-N 2.78Å; F505-K507 VanDerWaalsContact C-N 3.32Å; F505-K507 PolarHBondContact O-N 3.39Å; F505-L508 PolarHBondContact O-N 2.95Å; F505-L508 VanDerWaalsContact O-N 3.17Å; F505-T509 WeakPolarHBondContact O-CB 3.39Å; F505-T509 PolarHBondContact O-N 3.09Å; F505-T509 PolarHBondContact O-OG1 3.03Å; F505-V622 HydrophobicContact CD1-CG2 4.15Å; F505-Y625 HydrophobicContact CE1-CE2 4.49Å; F505-E646 HydrophobicContact CD1-CB 4.24Å; F505-E646 HydrophobicContact CD1-CG 4.27Å; F505-E646 HydrophobicContact CE1-CB 3.85Å; F505-E646 HydrophobicContact CE1-CG 3.56Å; F505-E646 HydrophobicContact CE2-CG 3.97Å; F505-E646 HydrophobicContact CZ-CB 4.21Å; F505-E646 HydrophobicContact CZ-CG 3.4Å; F505-E646 WeakPolarHBondContact CZ-OE1 3.44Å; F505-L649 HydrophobicContact CB-CD2 3.67Å; F505-L649 HydrophobicContact CB-CG 4.43Å; F505-L649 HydrophobicContact CD2-CD2 4.43Å; F505-L649 HydrophobicContact CG-CD2 4.31Å
506	L	93.1	Very high	93	Very high	39 Å²	39	54.6 Å²	54.6	20%	0.204	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-39	178.1	-70.3	175.3	0	0	0	111.7	N502 L508 T509 Y510 L649	N502-L506 HydrophobicContact CB-CD1 4.33Å; N502-L506 WeakPolarHBondContact O-CB 3.09Å; N502-L506 WeakPolarHBondContact O-CG 3.43Å; N502-L506 PolarHBondContact O-N 3.41Å; L506-L508 VanDerWaalsContact C-N 3.29Å; L506-L508 PolarHBondContact O-N 3.44Å; L506-T509 WeakPolarHBondContact O-CB 3.36Å; L506-T509 PolarHBondContact O-N 3.2Å; L506-T509 VanDerWaalsContact O-N 3.11Å; L506-Y510 HydrophobicContact CB-CD2 4.43Å; L506-Y510 HydrophobicContact CB-CE2 4.16Å; L506-Y510 HydrophobicContact CD2-CE2 4.23Å; L506-Y510 WeakPolarHBondContact O-CD2 3.4Å; L506-Y510 PolarHBondContact O-N 3.05Å; L506-L649 HydrophobicContact CD1-CD1 4.34Å; L506-L649 HydrophobicContact CD2-CD1 3.94Å; L506-L649 HydrophobicContact CD2-CG 4.1Å; L506-L649 HydrophobicContact CG-CD1 4.09Å; L506-L649 HydrophobicContact CG-CG 4.23Å
507	K	93.8	Very high	93.2	Very high	168 Å²	168	56.8 Å²	56.8	73%	0.73	27%	0.272	S	S	*	.	H	α-helix	trans	-57.4	-42	174.4	-175.5	179.2	179.7	-179	0	112.2	E503 F505 D511	E503-K507 VanDerWaalsContact O-CB 3.23Å; E503-K507 WeakPolarHBondContact O-CB 3.4Å; E503-K507 PolarHBondContact O-N 2.75Å; F505-K507 VanDerWaalsContact C-N 3.32Å; F505-K507 PolarHBondContact O-N 3.39Å; K507-D511 PolarHBondContact O-N 3.29Å
508	L	93.7	Very high	93.4	Very high	30 Å²	30	55.2 Å²	55.2	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-72.9	-31.5	177.6	-61.7	176.6	0	0	0	112.2	D504 F505 L506 Y510 D511 I514 R618 R619 V622	D504-L508 WeakPolarHBondContact O-CG 3.38Å; F505-L508 PolarHBondContact O-N 2.95Å; F505-L508 VanDerWaalsContact O-N 3.17Å; L506-L508 VanDerWaalsContact C-N 3.29Å; L506-L508 PolarHBondContact O-N 3.44Å; L508-Y510 VanDerWaalsContact C-N 3.34Å; L508-D511 PolarHBondContact O-N 3.06Å; L508-I514 HydrophobicContact CB-CD1 3.68Å; L508-I514 HydrophobicContact CD2-CD1 3.54Å; L508-I514 HydrophobicContact CG-CD1 4.15Å; L508-I514 WeakPolarHBondContact O-CB 3.48Å; L508-I514 WeakPolarHBondContact O-CD1 3.41Å; L508-I514 WeakPolarHBondContact O-CG2 3.29Å; L508-R618 HydrophobicContact CD1-CG 4.03Å; L508-R619 HydrophobicContact CD2-CG 4.47Å; L508-V622 HydrophobicContact CB-CB 4.43Å; L508-V622 HydrophobicContact CB-CG1 3.98Å; L508-V622 HydrophobicContact CB-CG2 4.3Å; L508-V622 HydrophobicContact CD1-CG2 3.92Å
509	T	93.8	Very high	93.6	Very high	12 Å²	12	59.8 Å²	59.8	7%	0.074	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-37	178.5	-59.5	0	0	0	0	111.3	F505 L506 Q515 L626 C650	F505-T509 WeakPolarHBondContact O-CB 3.39Å; F505-T509 PolarHBondContact O-N 3.09Å; F505-T509 PolarHBondContact O-OG1 3.03Å; L506-T509 WeakPolarHBondContact O-CB 3.36Å; L506-T509 PolarHBondContact O-N 3.2Å; L506-T509 VanDerWaalsContact O-N 3.11Å; T509-Q515 PolarHBondContact O-NE2 2.88Å; T509-L626 HydrophobicContact CG2-CD2 4.02Å; T509-C650 VanDerWaalsContact CG2-O 3.25Å; T509-C650 WeakPolarHBondContact CG2-O 3.43Å; T509-C650 WeakPolarHBondContact OG1-CA 3.34Å
510	Y	94.4	Very high	93.9	Very high	165 Å²	165	62.3 Å²	62.3	65%	0.647	31%	0.308	S	S	*	.	S	Bend	trans	-90	-2.1	178.2	-60.9	-58.1	0	0	0	114.2	L506 L508 Q512	L506-Y510 HydrophobicContact CB-CD2 4.43Å; L506-Y510 HydrophobicContact CB-CE2 4.16Å; L506-Y510 HydrophobicContact CD2-CE2 4.23Å; L506-Y510 WeakPolarHBondContact O-CD2 3.4Å; L506-Y510 PolarHBondContact O-N 3.05Å; L508-Y510 VanDerWaalsContact C-N 3.34Å; Y510-Q512 PolarHBondContact O-N 3.12Å
511	D	96.4	Very high	94.2	Very high	50 Å²	50	63 Å²	63	27%	0.267	31%	0.312	S	S	.	.			trans	-71.6	120.5	174.6	-177.7	-12.2	0	0	0	110.1	K507 L508 E513 I514 Q515 R619	K507-D511 PolarHBondContact O-N 3.29Å; L508-D511 PolarHBondContact O-N 3.06Å; D511-E513 VanDerWaalsContact C-N 3.28Å; D511-E513 PolarHBondContact O-N 3.06Å; D511-E513 WeakPolarHBondContact OD1-CB 3.5Å; D511-E513 PolarHBondContact OD1-N 2.94Å; D511-I514 HydrophobicContact CB-CB 4.15Å; D511-I514 HydrophobicContact CB-CD1 4.01Å; D511-I514 HydrophobicContact CB-CG1 4.03Å; D511-I514 PolarHBondContact O-N 3.13Å; D511-I514 VanDerWaalsContact O-N 3.12Å; D511-Q515 PolarHBondContact O-N 3.41Å; D511-R619 IonicContact OD2-NH2 3.51Å; D511-R619 PolarHBondContact OD2-NH2 2.79Å; D511-R619 VanDerWaalsContact OD2-NH2 3.11Å
512	Q	96.1	Very high	94.6	Very high	123 Å²	123	64.1 Å²	64.1	58%	0.575	32%	0.315	S	S	*	.	H	α-helix	trans	-62.1	-34	-178.1	-170.4	60.2	60.5	0	0	112.5	Y510 I514 Q515 T516	Y510-Q512 PolarHBondContact O-N 3.12Å; Q512-I514 VanDerWaalsContact C-N 3.3Å; Q512-I514 PolarHBondContact O-N 3.3Å; Q512-Q515 PolarHBondContact O-N 2.73Å; Q512-T516 PolarHBondContact O-N 2.75Å; Q512-T516 PolarHBondContact O-OG1 3.25Å; Q512-T516 VanDerWaalsContact O-OG1 3.11Å
513	E	96.5	Very high	94.9	Very high	106 Å²	106	70.7 Å²	70.7	50%	0.495	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-40.4	176.5	-169	-168.1	149.9	0	0	110.3	D511 T516 M517 R619	D511-E513 VanDerWaalsContact C-N 3.28Å; D511-E513 PolarHBondContact O-N 3.06Å; D511-E513 WeakPolarHBondContact OD1-CB 3.5Å; D511-E513 PolarHBondContact OD1-N 2.94Å; E513-T516 PolarHBondContact O-N 3.24Å; E513-M517 WeakPolarHBondContact O-CB 3.49Å; E513-M517 PolarHBondContact O-N 3.24Å; E513-R619 IonicContact OE1-CZ 3.06Å; E513-R619 IonicContact OE1-NH1 3.39Å; E513-R619 PolarHBondContact OE1-NH1 3.28Å; E513-R619 IonicContact OE1-NH2 3.52Å; E513-R619 IonicContact OE2-CZ 3.65Å; E513-R619 IonicContact OE2-NH1 2.65Å; E513-R619 PolarHBondContact OE2-NH1 3.46Å; E513-R619 IonicContact OE2-NH2 3.11Å; E513-R619 PolarHBondContact OE2-NH2 3.46Å
514	I	96.9	Very high	95.2	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-72.9	-35.7	179.8	-63.7	-178.1	0	0	0	111.1	L508 D511 Q512 M517 A518 R619 V622 A623 L626	L508-I514 HydrophobicContact CB-CD1 3.68Å; L508-I514 HydrophobicContact CD2-CD1 3.54Å; L508-I514 HydrophobicContact CG-CD1 4.15Å; L508-I514 WeakPolarHBondContact O-CB 3.48Å; L508-I514 WeakPolarHBondContact O-CD1 3.41Å; L508-I514 WeakPolarHBondContact O-CG2 3.29Å; D511-I514 HydrophobicContact CB-CB 4.15Å; D511-I514 HydrophobicContact CB-CD1 4.01Å; D511-I514 HydrophobicContact CB-CG1 4.03Å; D511-I514 PolarHBondContact O-N 3.13Å; D511-I514 VanDerWaalsContact O-N 3.12Å; Q512-I514 VanDerWaalsContact C-N 3.3Å; Q512-I514 PolarHBondContact O-N 3.3Å; I514-M517 PolarHBondContact O-N 3.47Å; I514-A518 WeakPolarHBondContact O-CB 3.47Å; I514-A518 PolarHBondContact O-N 2.98Å; I514-R619 HydrophobicContact CD1-CB 4.22Å; I514-R619 HydrophobicContact CD1-CG 4.31Å; I514-V622 HydrophobicContact CG2-CB 4.48Å; I514-V622 HydrophobicContact CG2-CG1 4.04Å; I514-A623 HydrophobicContact CG2-CB 4.25Å; I514-L626 HydrophobicContact CG2-CD1 3.97Å
515	Q	97.2	Very high	95.5	Very high	69 Å²	69	70.9 Å²	70.9	32%	0.322	34%	0.344	S	S	.	.	H	α-helix	trans	-65.7	-42.7	173	-69	-177.1	22.2	0	0	112.1	T509 D511 Q512 M517 A518 N519 L626	T509-Q515 PolarHBondContact O-NE2 2.88Å; D511-Q515 PolarHBondContact O-N 3.41Å; Q512-Q515 PolarHBondContact O-N 2.73Å; Q515-M517 VanDerWaalsContact C-N 3.33Å; Q515-A518 WeakPolarHBondContact O-CB 3.39Å; Q515-A518 PolarHBondContact O-N 3.37Å; Q515-N519 PolarHBondContact O-N 3Å; Q515-L626 HydrophobicContact CG-CD1 4.38Å
516	T	97.6	Very high	95.7	Very high	82 Å²	82	70.7 Å²	70.7	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-43	173.5	-61.1	0	0	0	0	110.8	Q512 E513 A518 N519 A520	Q512-T516 PolarHBondContact O-N 2.75Å; Q512-T516 PolarHBondContact O-OG1 3.25Å; Q512-T516 VanDerWaalsContact O-OG1 3.11Å; E513-T516 PolarHBondContact O-N 3.24Å; T516-A518 VanDerWaalsContact C-N 3.34Å; T516-A518 PolarHBondContact O-N 3.44Å; T516-N519 PolarHBondContact O-N 2.71Å; T516-A520 PolarHBondContact O-N 3.34Å
517	M	97.5	Very high	95.6	Very high	53 Å²	53	71.6 Å²	71.6	26%	0.261	36%	0.362	S	S	.	.	H	α-helix	trans	-60.9	-40.9	174.1	-173.2	-176.4	-60.6	0	0	112	E513 I514 Q515 N519 A520 V521 V620 A623	E513-M517 WeakPolarHBondContact O-CB 3.49Å; E513-M517 PolarHBondContact O-N 3.24Å; I514-M517 PolarHBondContact O-N 3.47Å; Q515-M517 VanDerWaalsContact C-N 3.33Å; M517-N519 PolarHBondContact O-N 3.08Å; M517-A520 PolarHBondContact O-N 3.32Å; M517-V521 HydrophobicContact CG-CG2 4.27Å; M517-V521 WeakPolarHBondContact O-CB 3.41Å; M517-V521 WeakPolarHBondContact O-CG2 3.36Å; M517-V521 PolarHBondContact O-N 3.41Å; M517-V620 HydrophobicContact SD-CG2 4.15Å; M517-A623 HydrophobicContact CB-CB 4.18Å; M517-A623 HydrophobicContact CG-CB 3.88Å; M517-A623 HydrophobicContact SD-CB 3.95Å
518	A	97.5	Very high	95.3	Very high	4 Å²	4	75.5 Å²	75.5	3%	0.033	37%	0.372	C	S	.	.	H	α-helix	trans	-62.5	-42.1	177.4	0	0	0	0	0	111.9	I514 Q515 T516 R522 A623 L626	I514-A518 WeakPolarHBondContact O-CB 3.47Å; I514-A518 PolarHBondContact O-N 2.98Å; Q515-A518 WeakPolarHBondContact O-CB 3.39Å; Q515-A518 PolarHBondContact O-N 3.37Å; T516-A518 VanDerWaalsContact C-N 3.34Å; T516-A518 PolarHBondContact O-N 3.44Å; A518-R522 WeakPolarHBondContact O-CB 3.32Å; A518-R522 PolarHBondContact O-N 3.14Å; A518-A623 HydrophobicContact CB-CB 4.18Å; A518-A623 WeakPolarHBondContact CB-O 3.48Å; A518-L626 HydrophobicContact CB-CB 3.6Å; A518-L626 HydrophobicContact CB-CD1 4.1Å
519	N	97.2	Very high	95.3	Very high	101 Å²	101	76.1 Å²	76.1	54%	0.54	37%	0.372	S	S	.	.	H	α-helix	trans	-63.4	-46.8	174.7	-68.1	-22.9	0	0	0	111.2	Q515 T516 M517 V521 R522 E523	Q515-N519 PolarHBondContact O-N 3Å; T516-N519 PolarHBondContact O-N 2.71Å; M517-N519 PolarHBondContact O-N 3.08Å; N519-V521 PolarHBondContact O-N 3.1Å; N519-R522 PolarHBondContact O-N 3.38Å; N519-E523 WeakPolarHBondContact O-CG 3.28Å; N519-E523 PolarHBondContact O-N 2.67Å
520	A	97	Very high	95.2	Very high	52 Å²	52	81.3 Å²	81.3	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-44.2	177.7	0	0	0	0	0	112.4	T516 M517 R522 E523 Q524	T516-A520 PolarHBondContact O-N 3.34Å; M517-A520 PolarHBondContact O-N 3.32Å; A520-R522 VanDerWaalsContact C-N 3.32Å; A520-R522 PolarHBondContact O-N 3.24Å; A520-E523 PolarHBondContact O-N 2.98Å; A520-Q524 VanDerWaalsContact O-CB 3.31Å; A520-Q524 WeakPolarHBondContact O-CB 3.5Å; A520-Q524 PolarHBondContact O-N 3.22Å
521	V	95	Very high	95.2	Very high	17 Å²	17	73.7 Å²	73.7	10%	0.103	38%	0.376	C	S	.	.	H	α-helix	trans	-59.5	-44	174.2	166.3	0	0	0	0	110.2	M517 N519 Q524 I525 A627	M517-V521 HydrophobicContact CG-CG2 4.27Å; M517-V521 WeakPolarHBondContact O-CB 3.41Å; M517-V521 WeakPolarHBondContact O-CG2 3.36Å; M517-V521 PolarHBondContact O-N 3.41Å; N519-V521 PolarHBondContact O-N 3.1Å; V521-Q524 PolarHBondContact O-N 3.3Å; V521-I525 HydrophobicContact CG1-CD1 3.65Å; V521-I525 HydrophobicContact CG1-CG1 4.46Å; V521-I525 WeakPolarHBondContact O-CB 3.38Å; V521-I525 WeakPolarHBondContact O-CG1 3.3Å; V521-I525 PolarHBondContact O-N 2.89Å; V521-A627 HydrophobicContact CG1-CB 4.46Å
522	R	96.5	Very high	95.2	Very high	79 Å²	79	73.4 Å²	73.4	30%	0.298	37%	0.372	S	S	.	.	H	α-helix	trans	-64.1	-46.2	178.2	-173.2	174.3	175.9	84.9	3.8	111.8	A518 N519 A520 I525 M526 A627 D629	A518-R522 WeakPolarHBondContact O-CB 3.32Å; A518-R522 PolarHBondContact O-N 3.14Å; N519-R522 PolarHBondContact O-N 3.38Å; A520-R522 VanDerWaalsContact C-N 3.32Å; A520-R522 PolarHBondContact O-N 3.24Å; R522-I525 PolarHBondContact O-N 2.85Å; R522-M526 HydrophobicContact CG-CG 4.1Å; R522-M526 VanDerWaalsContact O-CB 3.29Å; R522-M526 WeakPolarHBondContact O-CB 3.46Å; R522-M526 WeakPolarHBondContact O-CG 3.37Å; R522-M526 PolarHBondContact O-N 3.31Å; R522-A627 HydrophobicContact CB-CB 4.01Å; R522-A627 PolarHBondContact NH1-O 3.19Å; R522-D629 IonicContact CZ-OD2 3.96Å; R522-D629 IonicContact NH1-OD1 3.83Å; R522-D629 IonicContact NH1-OD2 3.07Å; R522-D629 PolarHBondContact NH1-OD2 3.35Å; R522-D629 IonicContact NH2-OD1 2.68Å; R522-D629 IonicContact NH2-OD2 3.92Å; R522-D629 PolarHBondContact NH2-OD2 3.47Å; R522-D629 VanDerWaalsContact NH2-OD2 3.11Å
523	E	95.7	Very high	95.3	Very high	145 Å²	145	67.6 Å²	67.6	68%	0.678	35%	0.345	S	S	*	.	H	α-helix	trans	-61.3	-45.4	177.7	-74.9	178.1	-177.8	0	0	111.5	N519 A520 I525 G527	N519-E523 WeakPolarHBondContact O-CG 3.28Å; N519-E523 PolarHBondContact O-N 2.67Å; A520-E523 PolarHBondContact O-N 2.98Å; E523-I525 PolarHBondContact O-N 3.41Å; E523-G527 VanDerWaalsContact O-CA 3.31Å; E523-G527 WeakPolarHBondContact O-CA 3.4Å; E523-G527 PolarHBondContact O-N 2.97Å
524	Q	94.2	Very high	95.3	Very high	162 Å²	162	62.6 Å²	62.6	76%	0.757	32%	0.321	S	S	*	.	H	α-helix	trans	-61.4	-43.6	177.4	-177.9	-176.1	-15.6	0	0	111.9	A520 V521	A520-Q524 VanDerWaalsContact O-CB 3.31Å; A520-Q524 WeakPolarHBondContact O-CB 3.5Å; A520-Q524 PolarHBondContact O-N 3.22Å; V521-Q524 PolarHBondContact O-N 3.3Å
525	I	94.2	Very high	95.4	Very high	17 Å²	17	62.6 Å²	62.6	9%	0.087	32%	0.322	C	S	.	.	H	α-helix	trans	-80.4	-40.7	-174.4	-67.4	177.9	0	0	0	111.8	V521 R522 E523 L533 R568 I570 I610	V521-I525 HydrophobicContact CG1-CD1 3.65Å; V521-I525 HydrophobicContact CG1-CG1 4.46Å; V521-I525 WeakPolarHBondContact O-CB 3.38Å; V521-I525 WeakPolarHBondContact O-CG1 3.3Å; V521-I525 PolarHBondContact O-N 2.89Å; R522-I525 PolarHBondContact O-N 2.85Å; E523-I525 PolarHBondContact O-N 3.41Å; I525-L533 HydrophobicContact CG2-CD1 3.76Å; I525-R568 HydrophobicContact CG2-CB 4.13Å; I525-R568 HydrophobicContact CG2-CG 4.21Å; I525-R568 PolarHBondContact O-NH1 2.8Å; I525-I570 HydrophobicContact CD1-CD1 3.42Å; I525-I570 VanDerWaalsContact CD1-CD1 3.42Å; I525-I570 HydrophobicContact CD1-CG1 4.42Å; I525-I570 HydrophobicContact CG2-CD1 4.33Å; I525-I610 HydrophobicContact CG1-CD1 4.44Å; I525-I610 HydrophobicContact CG2-CD1 3.88Å
526	M	95	Very high	95.4	Very high	11 Å²	11	59.5 Å²	59.5	5%	0.054	31%	0.307	C	S	.	.	H	α-helix	trans	-82.8	-31.6	-178.8	-63.5	-57.2	-66	0	0	111.8	R522 R528 R529 L533 R568	R522-M526 HydrophobicContact CG-CG 4.1Å; R522-M526 VanDerWaalsContact O-CB 3.29Å; R522-M526 WeakPolarHBondContact O-CB 3.46Å; R522-M526 WeakPolarHBondContact O-CG 3.37Å; R522-M526 PolarHBondContact O-N 3.31Å; M526-R528 PolarHBondContact O-N 3.44Å; M526-R528 VanDerWaalsContact O-N 3.16Å; M526-R529 HydrophobicContact CE-CB 4.12Å; M526-R529 WeakPolarHBondContact O-CB 3.47Å; M526-R529 VanDerWaalsContact O-CG 3.32Å; M526-R529 WeakPolarHBondContact O-CG 3.18Å; M526-R529 PolarHBondContact O-N 3.07Å; M526-L533 HydrophobicContact SD-CB 3.96Å; M526-L533 HydrophobicContact SD-CD1 4.3Å; M526-R568 HydrophobicContact CE-CG 4.42Å; M526-R568 HydrophobicContact SD-CB 3.88Å; M526-R568 HydrophobicContact SD-CG 3.66Å
527	G	90.8	Very high	95.3	Very high	57 Å²	57	55.9 Å²	55.9	59%	0.588	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	-120.8	-173.2	0	0	0	0	0	110.6	E523	E523-G527 VanDerWaalsContact O-CA 3.31Å; E523-G527 WeakPolarHBondContact O-CA 3.4Å; E523-G527 PolarHBondContact O-N 2.97Å
528	R	89	Confident	95.1	Very high	250 Å²	250	54.2 Å²	54.2	94%	0.943	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	0.2	177.5	-62.2	-177.3	-178.1	174.6	1.3	114.3	M526	M526-R528 PolarHBondContact O-N 3.44Å; M526-R528 VanDerWaalsContact O-N 3.16Å
529	R	92.4	Very high	94.8	Very high	43 Å²	43	58.2 Å²	58.2	16%	0.162	29%	0.292	C	S	.	.			trans	-71.4	139.3	-177	-61.7	177.7	179.4	-119.5	1.9	110.9	M526 A564 E565 N566 D567 E605 K606	M526-R529 HydrophobicContact CE-CB 4.12Å; M526-R529 WeakPolarHBondContact O-CB 3.47Å; M526-R529 VanDerWaalsContact O-CG 3.32Å; M526-R529 WeakPolarHBondContact O-CG 3.18Å; M526-R529 PolarHBondContact O-N 3.07Å; R529-A564 PolarHBondContact NH1-O 3.17Å; R529-A564 VanDerWaalsContact NH1-O 3.14Å; R529-E565 PolarHBondContact NH1-O 2.68Å; R529-N566 VanDerWaalsContact CB-O 3.29Å; R529-N566 WeakPolarHBondContact CB-O 3.22Å; R529-D567 PolarHBondContact NH1-O 3.38Å; R529-E605 PolarHBondContact NH2-O 3.46Å; R529-K606 VanDerWaalsContact NH2-C 3.26Å; R529-K606 PolarHBondContact NH2-O 3.46Å
530	T	91.4	Very high	94.7	Very high	122 Å²	122	53.4 Å²	53.4	75%	0.748	27%	0.266	S	S	*	.			trans	-102.1	8.2	-178.5	57.6	0	0	0	0	113.3
531	G	94.8	Very high	94.6	Very high	4 Å²	4	50.9 Å²	50.9	4%	0.041	25%	0.246	C	C	.	.	S	Bend	trans	-81	-152.1	-177.8	0	0	0	0	0	114.7	N566 D567	G531-N566 VanDerWaalsContact CA-O 3.25Å; G531-N566 WeakPolarHBondContact CA-O 3.36Å; G531-N566 PolarHBondContact N-O 3.42Å; G531-D567 WeakPolarHBondContact CA-OD1 3.29Å
532	K	96.5	Very high	94.5	Very high	45 Å²	45	50.2 Å²	50.2	20%	0.196	24%	0.241	C	C	.	.			trans	-113.7	143	-176.7	-59.5	-54.6	178.3	-163.4	0	111.1	F534 D567 R568 D629 I630	K532-F534 HydrophobicContact CB-CD2 4.45Å; K532-F534 HydrophobicContact CB-CE2 4.11Å; K532-D567 PolarHBondContact N-OD1 3.17Å; K532-D567 WeakPolarHBondContact O-CA 3.39Å; K532-R568 PolarHBondContact O-N 3.15Å; K532-D629 HydrophobicContact CB-CB 4.07Å; K532-D629 HydrophobicContact CD-CB 3.94Å; K532-D629 HydrophobicContact CG-CB 4.5Å; K532-I630 HydrophobicContact CB-CD1 4.06Å; K532-I630 HydrophobicContact CG-CD1 4.37Å
533	L	97.7	Very high	94.5	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	111	172.3	-177.2	57.6	0	0	0	110.6	I525 M526 R568 I570 A627 D629 I630	I525-L533 HydrophobicContact CG2-CD1 3.76Å; M526-L533 HydrophobicContact SD-CB 3.96Å; M526-L533 HydrophobicContact SD-CD1 4.3Å; L533-R568 HydrophobicContact CD1-CB 3.74Å; L533-I570 HydrophobicContact CD1-CD1 3.83Å; L533-I570 HydrophobicContact CD1-CG1 3.94Å; L533-I570 HydrophobicContact CD2-CD1 4.38Å; L533-I570 HydrophobicContact CG-CD1 4.49Å; L533-A627 HydrophobicContact CD2-CB 4.15Å; L533-D629 PolarHBondContact N-OD2 3Å; L533-D629 PolarHBondContact O-N 3.27Å; L533-I630 PolarHBondContact O-N 3.48Å; L533-I630 VanDerWaalsContact O-N 3.1Å
534	F	98.4	Very high	94.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135.6	171.4	-66.7	-104.5	0	0	0	110.2	K532 D567 R568 F569 I570 I630 L632 L698 A702	K532-F534 HydrophobicContact CB-CD2 4.45Å; K532-F534 HydrophobicContact CB-CE2 4.11Å; F534-D567 HydrophobicContact CE2-CB 4.17Å; F534-R568 PolarHBondContact N-O 3.37Å; F534-F569 HydrophobicContact CB-CD1 3.36Å; F534-F569 HydrophobicContact CB-CE1 3.75Å; F534-F569 HydrophobicContact CB-CG 4.17Å; F534-F569 HydrophobicContact CD1-CD1 4.13Å; F534-F569 AromaticContact CD1-CE1 3.67Å; F534-F569 HydrophobicContact CD1-CE1 3.67Å; F534-F569 AromaticContact CD2-CD1 3.71Å; F534-F569 HydrophobicContact CD2-CD1 3.71Å; F534-F569 AromaticContact CD2-CE1 3.25Å; F534-F569 HydrophobicContact CD2-CE1 3.25Å; F534-F569 HydrophobicContact CD2-CE2 4.4Å; F534-F569 HydrophobicContact CD2-CG 4.45Å; F534-F569 AromaticContact CD2-CZ 3.65Å; F534-F569 HydrophobicContact CD2-CZ 3.65Å; F534-F569 AromaticContact CE1-CE1 3.94Å; F534-F569 HydrophobicContact CE1-CE1 3.94Å; F534-F569 HydrophobicContact CE2-CD1 4.46Å; F534-F569 AromaticContact CE2-CE1 3.58Å; F534-F569 HydrophobicContact CE2-CE1 3.58Å; F534-F569 AromaticContact CE2-CZ 3.64Å; F534-F569 HydrophobicContact CE2-CZ 3.64Å; F534-F569 AromaticContact CG-CD1 3.5Å; F534-F569 HydrophobicContact CG-CD1 3.5Å; F534-F569 VanDerWaalsContact CG-CD1 3.5Å; F534-F569 AromaticContact CG-CE1 3.29Å; F534-F569 HydrophobicContact CG-CE1 3.29Å; F534-F569 HydrophobicContact CG-CG 4.5Å; F534-F569 HydrophobicContact CG-CZ 4.16Å; F534-F569 AromaticContact CZ-CE1 3.88Å; F534-F569 HydrophobicContact CZ-CE1 3.88Å; F534-F569 HydrophobicContact CZ-CZ 4.12Å; F534-I570 PolarHBondContact O-N 3.05Å; F534-I630 CarbonylContact C-O 3.5Å; F534-I630 WeakPolarHBondContact CA-O 3.26Å; F534-I630 HydrophobicContact CD1-CB 3.69Å; F534-I630 HydrophobicContact CD1-CD1 3.83Å; F534-I630 HydrophobicContact CD1-CG1 4.33Å; F534-I630 HydrophobicContact CD1-CG2 3.63Å; F534-I630 HydrophobicContact CD2-CD1 4.27Å; F534-I630 HydrophobicContact CE1-CB 4.04Å; F534-I630 HydrophobicContact CE1-CD1 3.33Å; F534-I630 HydrophobicContact CE1-CG1 4.25Å; F534-I630 HydrophobicContact CE1-CG2 3.82Å; F534-I630 HydrophobicContact CE2-CD1 3.81Å; F534-I630 HydrophobicContact CG-CB 4.17Å; F534-I630 HydrophobicContact CG-CD1 4.29Å; F534-I630 HydrophobicContact CZ-CD1 3.34Å; F534-L632 HydrophobicContact CB-CD1 4.09Å; F534-L632 HydrophobicContact CB-CG 4.48Å; F534-L632 HydrophobicContact CD1-CD1 3.89Å; F534-L632 HydrophobicContact CD1-CD2 3.96Å; F534-L632 HydrophobicContact CD1-CG 4.03Å; F534-L632 HydrophobicContact CE1-CD2 4.48Å; F534-L632 HydrophobicContact CG-CD1 4.44Å; F534-L698 HydrophobicContact CE1-CD2 4.21Å; F534-A702 HydrophobicContact CE2-CB 4.47Å; F534-A702 HydrophobicContact CZ-CB 3.99Å
535	L	98.4	Very high	94.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.8	178.3	178.1	64.6	0	0	0	111	I570 V572 H624 Y625 M628 I630 G631 L632 M647	L535-I570 HydrophobicContact CD1-CB 3.75Å; L535-I570 HydrophobicContact CD1-CD1 4.41Å; L535-I570 HydrophobicContact CD1-CG2 3.71Å; L535-V572 HydrophobicContact CD1-CG2 4.47Å; L535-H624 HydrophobicContact CD1-CB 4.42Å; L535-H624 HydrophobicContact CD2-CB 3.78Å; L535-H624 WeakPolarHBondContact CD2-O 3.36Å; L535-Y625 HydrophobicContact CD2-CD1 3.62Å; L535-Y625 HydrophobicContact CD2-CE1 4.16Å; L535-M628 HydrophobicContact CB-CB 3.76Å; L535-M628 HydrophobicContact CB-CG 4.44Å; L535-M628 HydrophobicContact CB-SD 3.95Å; L535-M628 HydrophobicContact CD2-CB 4.19Å; L535-M628 HydrophobicContact CD2-SD 3.8Å; L535-M628 HydrophobicContact CG-SD 4.38Å; L535-I630 PolarHBondContact N-O 2.92Å; L535-G631 WeakPolarHBondContact O-CA 3.37Å; L535-L632 PolarHBondContact O-N 3.12Å; L535-M647 HydrophobicContact CD2-CE 4.42Å; L535-M647 HydrophobicContact CG-CE 4.14Å; L535-M647 WeakPolarHBondContact O-CE 3.18Å
536	S	97.8	Very high	94.6	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.7	164.3	-171	0	0	0	0	109.4	E538 R549 I570 Q571 V572 L632	S536-E538 PolarHBondContact OG-OE1 2.97Å; S536-R549 PolarHBondContact OG-NH1 3.43Å; S536-I570 PolarHBondContact N-O 2.82Å; S536-Q571 PolarHBondContact OG-NE2 2.83Å; S536-V572 PolarHBondContact O-N 2.87Å; S536-L632 WeakPolarHBondContact CB-O 3.28Å; S536-L632 PolarHBondContact OG-O 3.45Å
537	A	95.5	Very high	94.7	Very high	7 Å²	7	36.2 Å²	36.2	6%	0.058	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	110.5	-179.7	0	0	0	0	0	111.9	V572 L621 V643	A537-V572 WeakPolarHBondContact CA-O 3.4Å; A537-V572 HydrophobicContact CB-CB 3.98Å; A537-V572 HydrophobicContact CB-CG2 4.32Å; A537-L621 HydrophobicContact CB-CD1 3.82Å; A537-V643 HydrophobicContact CB-CG1 4.44Å; A537-V643 WeakPolarHBondContact O-CG1 3.32Å; A537-V643 WeakPolarHBondContact O-CG2 3.42Å
538	E	92.8	Very high	95	Very high	18 Å²	18	34.6 Å²	34.6	8%	0.084	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	-174	-177.4	55.1	-163.5	147.5	0	0	112.3	S536 K544 I546 R549 V572 A573 I574	S536-E538 PolarHBondContact OG-OE1 2.97Å; E538-K544 HydrophobicContact CB-CG 4.27Å; E538-K544 HydrophobicContact CG-CB 4.08Å; E538-K544 HydrophobicContact CG-CG 4.09Å; E538-K544 WeakPolarHBondContact OE2-CB 3.48Å; E538-K544 WeakPolarHBondContact OE2-CD 3.45Å; E538-K544 WeakPolarHBondContact OE2-CG 3.49Å; E538-I546 HydrophobicContact CG-CD1 4.08Å; E538-I546 HydrophobicContact CG-CG1 4.42Å; E538-R549 IonicContact OE1-CZ 3.3Å; E538-R549 IonicContact OE1-NH1 3.29Å; E538-R549 PolarHBondContact OE1-NH1 3.42Å; E538-R549 IonicContact OE1-NH2 2.79Å; E538-R549 PolarHBondContact OE1-NH2 2.97Å; E538-V572 PolarHBondContact N-O 2.78Å; E538-A573 VanDerWaalsContact O-CA 3.27Å; E538-A573 WeakPolarHBondContact O-CA 3.29Å; E538-I574 PolarHBondContact O-N 3.05Å
539	R	91.3	Very high	95.4	Very high	87 Å²	87	22.7 Å²	22.7	33%	0.328	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	147.7	174.1	-57.3	179	-55.7	171	10.3	109.3	W343 D541 I546	W343-R539 VanDerWaalsContact CH2-NH2 3.28Å; W343-R539 VanDerWaalsContact CZ2-NH2 3.34Å; R539-D541 HydrophobicContact CB-CB 4.23Å; R539-D541 IonicContact CZ-OD2 2.63Å; R539-D541 IonicContact NH2-OD2 2.98Å; R539-D541 PolarHBondContact NH2-OD2 2.94Å; R539-D541 PolarHBondContact O-N 3.17Å; R539-I546 WeakPolarHBondContact O-CD1 3.28Å
540	L	94.5	Very high	95.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-75.9	65.9	174.4	-162.6	73.6	0	0	0	110.3	I546 A573 I574 I575 Q587 C590	L540-I546 HydrophobicContact CD1-CD1 3.89Å; L540-I546 HydrophobicContact CD1-CG2 4.18Å; L540-A573 HydrophobicContact CB-CB 4.13Å; L540-A573 HydrophobicContact CD1-CB 3.55Å; L540-A573 HydrophobicContact CG-CB 4.39Å; L540-I574 PolarHBondContact N-O 2.94Å; L540-I575 HydrophobicContact CD2-CG1 3.96Å; L540-Q587 HydrophobicContact CB-CG 4.31Å; L540-Q587 HydrophobicContact CD2-CB 3.63Å; L540-Q587 HydrophobicContact CD2-CG 3.53Å; L540-Q587 HydrophobicContact CG-CB 4.34Å; L540-Q587 HydrophobicContact CG-CG 3.81Å; L540-Q587 WeakPolarHBondContact O-CG 3.31Å; L540-Q587 PolarHBondContact O-NE2 3.08Å; L540-Q587 VanDerWaalsContact O-NE2 3.13Å; L540-C590 HydrophobicContact CD1-CB 4.08Å
541	D	93.9	Very high	96	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.075	C	C	.	.			trans	-118.7	138.8	-173.1	-176	-50.3	0	0	0	109.1	W343 R539 T543 K544 R577 Y583	W343-D541 WeakPolarHBondContact CZ2-OD2 3.24Å; R539-D541 HydrophobicContact CB-CB 4.23Å; R539-D541 IonicContact CZ-OD2 2.63Å; R539-D541 IonicContact NH2-OD2 2.98Å; R539-D541 PolarHBondContact NH2-OD2 2.94Å; R539-D541 PolarHBondContact O-N 3.17Å; D541-T543 VanDerWaalsContact CG-OG1 3.26Å; D541-T543 PolarHBondContact O-N 2.77Å; D541-T543 VanDerWaalsContact O-N 3.13Å; D541-T543 WeakPolarHBondContact OD1-CB 3.16Å; D541-T543 WeakPolarHBondContact OD1-CG2 3.33Å; D541-T543 PolarHBondContact OD1-N 2.92Å; D541-T543 PolarHBondContact OD1-OG1 2.87Å; D541-K544 HydrophobicContact CB-CG 4.23Å; D541-K544 VanDerWaalsContact O-CB 3.31Å; D541-K544 WeakPolarHBondContact O-CB 3.49Å; D541-K544 PolarHBondContact O-N 2.69Å; D541-R577 IonicContact OD2-NH1 2.73Å; D541-Y583 HydrophobicContact CB-CE1 4.23Å; D541-Y583 WeakPolarHBondContact OD2-CE1 3.08Å; D541-Y583 PolarHBondContact OD2-OH 3.34Å
542	Y	94.5	Very high	96.1	Very high	3 Å²	3	17 Å²	17	1%	0.012	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-64.5	-18	-175.8	51.3	-104.3	0	0	0	114.4	W343 P344 L349 Y352 K544 Y583 S636	W343-Y542 AromaticContact CD1-CE2 3.77Å; W343-Y542 AromaticContact CD1-CZ 3.67Å; W343-Y542 VanDerWaalsContact CD1-OH 3.24Å; W343-Y542 AromaticContact NE1-CE2 3.97Å; P344-Y542 HydrophobicContact CB-CE2 4.15Å; P344-Y542 WeakPolarHBondContact CB-OH 3.35Å; P344-Y542 WeakPolarHBondContact CD-OH 3.47Å; L349-Y542 HydrophobicContact CD1-CD2 3.75Å; L349-Y542 HydrophobicContact CD1-CE2 4.23Å; Y352-Y542 AromaticContact CD1-CD1 3.74Å; Y352-Y542 HydrophobicContact CD1-CD1 3.74Å; Y352-Y542 HydrophobicContact CD1-CD2 4.42Å; Y352-Y542 HydrophobicContact CD1-CE1 4.22Å; Y352-Y542 AromaticContact CD1-CG 3.83Å; Y352-Y542 HydrophobicContact CD1-CG 3.83Å; Y352-Y542 HydrophobicContact CD2-CD1 4.49Å; Y352-Y542 AromaticContact CD2-CD2 3.72Å; Y352-Y542 HydrophobicContact CD2-CD2 3.72Å; Y352-Y542 HydrophobicContact CD2-CE2 4.18Å; Y352-Y542 AromaticContact CD2-CG 3.87Å; Y352-Y542 HydrophobicContact CD2-CG 3.87Å; Y352-Y542 HydrophobicContact CE1-CD1 4.21Å; Y352-Y542 HydrophobicContact CE1-CG 4.05Å; Y352-Y542 HydrophobicContact CE2-CD2 4.16Å; Y352-Y542 HydrophobicContact CE2-CG 4.08Å; Y352-Y542 AromaticContact CG-CD1 3.89Å; Y352-Y542 HydrophobicContact CG-CD1 3.89Å; Y352-Y542 AromaticContact CG-CD2 3.85Å; Y352-Y542 HydrophobicContact CG-CD2 3.85Å; Y352-Y542 HydrophobicContact CG-CE1 4.12Å; Y352-Y542 HydrophobicContact CG-CE2 4.08Å; Y352-Y542 AromaticContact CG-CG 3.74Å; Y352-Y542 HydrophobicContact CG-CG 3.74Å; Y542-K544 PolarHBondContact O-N 3.07Å; Y542-Y583 HydrophobicContact CD1-CE1 4.42Å; Y542-Y583 HydrophobicContact CD1-CE2 4.45Å; Y542-Y583 HydrophobicContact CE1-CD1 4.41Å; Y542-Y583 AromaticContact CE1-CD2 3.85Å; Y542-Y583 HydrophobicContact CE1-CD2 3.85Å; Y542-Y583 HydrophobicContact CE1-CE1 4.09Å; Y542-Y583 AromaticContact CE1-CE2 3.47Å; Y542-Y583 HydrophobicContact CE1-CE2 3.47Å; Y542-Y583 VanDerWaalsContact CE1-CE2 3.47Å; Y542-Y583 HydrophobicContact CE1-CG 4.3Å; Y542-Y583 AromaticContact CE1-CZ 3.59Å; Y542-S636 PolarHBondContact O-OG 3.5Å; Y542-S636 VanDerWaalsContact O-OG 3.11Å
543	T	94.9	Very high	96.1	Very high	0 Å²	0	15 Å²	15	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-68.5	-14.7	172.2	58.8	0	0	0	0	113.2	W343 H347 L349 D541 S635 S636 A637	W343-T543 HydrophobicContact CZ2-CG2 4.13Å; W343-T543 VanDerWaalsContact NE1-CG2 3.29Å; H347-T543 HydrophobicContact CB-CG2 4.14Å; H347-T543 VanDerWaalsContact CD2-CG2 3.4Å; H347-T543 WeakPolarHBondContact CD2-CG2 3.47Å; L349-T543 HydrophobicContact CD1-CG2 4.07Å; D541-T543 VanDerWaalsContact CG-OG1 3.26Å; D541-T543 PolarHBondContact O-N 2.77Å; D541-T543 VanDerWaalsContact O-N 3.13Å; D541-T543 WeakPolarHBondContact OD1-CB 3.16Å; D541-T543 WeakPolarHBondContact OD1-CG2 3.33Å; D541-T543 PolarHBondContact OD1-N 2.92Å; D541-T543 PolarHBondContact OD1-OG1 2.87Å; T543-S635 CarbonylContact O-C 3.3Å; T543-S635 WeakPolarHBondContact O-CA 3.28Å; T543-S635 WeakPolarHBondContact O-CB 3.24Å; T543-S636 VanDerWaalsContact CA-OG 3.26Å; T543-S636 WeakPolarHBondContact CA-OG 3.45Å; T543-S636 PolarHBondContact O-N 3.48Å; T543-S636 PolarHBondContact O-OG 2.98Å; T543-A637 PolarHBondContact O-N 3.36Å
544	K	95.3	Very high	96.1	Very high	16 Å²	16	15.9 Å²	15.9	7%	0.07	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-93.6	-6.6	-173.1	-64.4	-38.1	-169.4	-169.3	0	115.2	E538 D541 Y542 I546 R549 D638	E538-K544 HydrophobicContact CB-CG 4.27Å; E538-K544 HydrophobicContact CG-CB 4.08Å; E538-K544 HydrophobicContact CG-CG 4.09Å; E538-K544 WeakPolarHBondContact OE2-CB 3.48Å; E538-K544 WeakPolarHBondContact OE2-CD 3.45Å; E538-K544 WeakPolarHBondContact OE2-CG 3.49Å; D541-K544 HydrophobicContact CB-CG 4.23Å; D541-K544 VanDerWaalsContact O-CB 3.31Å; D541-K544 WeakPolarHBondContact O-CB 3.49Å; D541-K544 PolarHBondContact O-N 2.69Å; Y542-K544 PolarHBondContact O-N 3.07Å; K544-I546 HydrophobicContact CB-CD1 4.12Å; K544-I546 HydrophobicContact CB-CG1 4Å; K544-I546 PolarHBondContact O-N 3.01Å; K544-R549 PolarHBondContact O-NH2 2.89Å; K544-D638 IonicContact NZ-OD1 3.88Å; K544-D638 PolarHBondContact NZ-OD1 3.21Å; K544-D638 IonicContact NZ-OD2 2.68Å; K544-D638 PolarHBondContact NZ-OD2 3.21Å
545	G	95.4	Very high	96	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.082	C	C	.	.			trans	64.5	24.5	175.9	0	0	0	0	0	114.1	E548 R549	G545-E548 WeakPolarHBondContact CA-OE2 3.3Å; G545-E548 PolarHBondContact O-N 3.26Å; G545-R549 WeakPolarHBondContact O-CB 3.33Å; G545-R549 PolarHBondContact O-N 2.68Å
546	I	97	Very high	95.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.9	-41.4	-176.5	-64.1	168.6	0	0	0	110.6	E538 R539 L540 K544 E548 R549 L550 Q571 A573 Y586	E538-I546 HydrophobicContact CG-CD1 4.08Å; E538-I546 HydrophobicContact CG-CG1 4.42Å; R539-I546 WeakPolarHBondContact O-CD1 3.28Å; L540-I546 HydrophobicContact CD1-CD1 3.89Å; L540-I546 HydrophobicContact CD1-CG2 4.18Å; K544-I546 HydrophobicContact CB-CD1 4.12Å; K544-I546 HydrophobicContact CB-CG1 4Å; K544-I546 PolarHBondContact O-N 3.01Å; I546-E548 PolarHBondContact O-N 3.49Å; I546-R549 WeakPolarHBondContact O-CB 3.32Å; I546-R549 PolarHBondContact O-N 2.83Å; I546-L550 HydrophobicContact CG2-CD1 4.05Å; I546-L550 HydrophobicContact CG2-CG 4.25Å; I546-L550 VanDerWaalsContact O-CG 3.3Å; I546-L550 WeakPolarHBondContact O-CG 3.25Å; I546-L550 PolarHBondContact O-N 3.03Å; I546-Q571 HydrophobicContact CG2-CG 4.35Å; I546-A573 HydrophobicContact CD1-CB 4.03Å; I546-Y586 PolarHBondContact N-OH 3.48Å; I546-Y586 VanDerWaalsContact N-OH 3.09Å
547	R	96.9	Very high	95.8	Very high	103 Å²	103	19 Å²	19	39%	0.389	8%	0.084	S	C	.	.	H	α-helix	trans	-54.6	-51.6	175	-179.3	178.2	176.9	-84.5	-2.6	111.4	R549 L550 I551 Y586 I593	R547-R549 VanDerWaalsContact C-N 3.33Å; R547-R549 PolarHBondContact O-N 2.97Å; R547-L550 PolarHBondContact O-N 3.21Å; R547-I551 HydrophobicContact CG-CD1 4.19Å; R547-I551 WeakPolarHBondContact O-CG1 3.47Å; R547-I551 PolarHBondContact O-N 3.09Å; R547-Y586 HydrophobicContact CB-CE2 3.74Å; R547-Y586 PolarHBondContact N-OH 3.41Å; R547-Y586 VanDerWaalsContact N-OH 3.08Å; R547-I593 HydrophobicContact CG-CD1 3.75Å
548	E	97.5	Very high	95.7	Very high	23 Å²	23	23 Å²	23	11%	0.107	11%	0.105	C	C	.	.	H	α-helix	trans	-64.1	-39.7	-179.7	-69.9	63.8	-137.2	0	0	111.2	G545 I546 I551 A552 I688 K689	G545-E548 WeakPolarHBondContact CA-OE2 3.3Å; G545-E548 PolarHBondContact O-N 3.26Å; I546-E548 PolarHBondContact O-N 3.49Å; E548-I551 PolarHBondContact O-N 2.87Å; E548-A552 PolarHBondContact O-N 3.5Å; E548-I688 HydrophobicContact CB-CB 4.34Å; E548-I688 HydrophobicContact CB-CD1 4.33Å; E548-I688 HydrophobicContact CB-CG1 4.49Å; E548-I688 WeakPolarHBondContact CB-O 3.33Å; E548-I688 HydrophobicContact CG-CD1 4.1Å; E548-I688 HydrophobicContact CG-CG1 4.31Å; E548-K689 HydrophobicContact CG-CG 4.4Å
549	R	97.5	Very high	95.9	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-60.9	-47.1	173	-174.9	-177.1	-53.5	134.2	4.1	111.9	S536 E538 K544 G545 I546 R547 I551 A552 L553 T634 Y694	S536-R549 PolarHBondContact OG-NH1 3.43Å; E538-R549 IonicContact OE1-CZ 3.3Å; E538-R549 IonicContact OE1-NH1 3.29Å; E538-R549 PolarHBondContact OE1-NH1 3.42Å; E538-R549 IonicContact OE1-NH2 2.79Å; E538-R549 PolarHBondContact OE1-NH2 2.97Å; K544-R549 PolarHBondContact O-NH2 2.89Å; G545-R549 WeakPolarHBondContact O-CB 3.33Å; G545-R549 PolarHBondContact O-N 2.68Å; I546-R549 WeakPolarHBondContact O-CB 3.32Å; I546-R549 PolarHBondContact O-N 2.83Å; R547-R549 VanDerWaalsContact C-N 3.33Å; R547-R549 PolarHBondContact O-N 2.97Å; R549-I551 VanDerWaalsContact C-N 3.28Å; R549-I551 PolarHBondContact O-N 2.95Å; R549-A552 PolarHBondContact O-N 2.95Å; R549-A552 VanDerWaalsContact O-N 3.15Å; R549-L553 HydrophobicContact CG-CD1 4.29Å; R549-L553 HydrophobicContact CG-CG 4.39Å; R549-L553 WeakPolarHBondContact O-CB 3.43Å; R549-L553 VanDerWaalsContact O-CG 3.27Å; R549-L553 WeakPolarHBondContact O-CG 3.37Å; R549-L553 PolarHBondContact O-N 3.48Å; R549-T634 PolarHBondContact NE-OG1 3.21Å; R549-T634 VanDerWaalsContact NE-OG1 3.08Å; R549-T634 PolarHBondContact NH2-OG1 2.95Å; R549-Y694 HydrophobicContact CB-CE1 4.23Å; R549-Y694 WeakPolarHBondContact CG-OH 3.49Å
550	L	97.9	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-39	178.2	-70.5	171.3	0	0	0	111.6	I546 R547 L553 E554 C590 I593 I597 L609 M611	I546-L550 HydrophobicContact CG2-CD1 4.05Å; I546-L550 HydrophobicContact CG2-CG 4.25Å; I546-L550 VanDerWaalsContact O-CG 3.3Å; I546-L550 WeakPolarHBondContact O-CG 3.25Å; I546-L550 PolarHBondContact O-N 3.03Å; R547-L550 PolarHBondContact O-N 3.21Å; L550-L553 PolarHBondContact O-N 2.92Å; L550-E554 WeakPolarHBondContact O-CB 3.46Å; L550-E554 PolarHBondContact O-N 3.11Å; L550-C590 HydrophobicContact CD1-CB 4.12Å; L550-C590 WeakPolarHBondContact CD1-O 3.15Å; L550-I593 HydrophobicContact CB-CB 4.39Å; L550-I593 HydrophobicContact CB-CG2 3.67Å; L550-I593 HydrophobicContact CD1-CB 4.4Å; L550-I593 HydrophobicContact CD1-CG2 4.5Å; L550-I597 HydrophobicContact CD2-CD1 4.5Å; L550-L609 HydrophobicContact CD2-CD1 4.33Å; L550-L609 HydrophobicContact CD2-CD2 3.87Å; L550-M611 HydrophobicContact CD2-SD 3.97Å
551	I	97.8	Very high	95.9	Very high	49 Å²	49	26.6 Å²	26.6	25%	0.251	13%	0.128	S	C	.	.	H	α-helix	trans	-63.9	-45.2	174	-65.9	165.1	0	0	0	110.8	R547 E548 R549 L553 E554 L555 I593 A691	R547-I551 HydrophobicContact CG-CD1 4.19Å; R547-I551 WeakPolarHBondContact O-CG1 3.47Å; R547-I551 PolarHBondContact O-N 3.09Å; E548-I551 PolarHBondContact O-N 2.87Å; R549-I551 VanDerWaalsContact C-N 3.28Å; R549-I551 PolarHBondContact O-N 2.95Å; I551-L553 VanDerWaalsContact C-N 3.3Å; I551-L553 PolarHBondContact O-N 3.12Å; I551-E554 PolarHBondContact O-N 2.86Å; I551-L555 PolarHBondContact O-N 3.02Å; I551-I593 HydrophobicContact CD1-CD1 4.36Å; I551-I593 HydrophobicContact CG1-CD1 4.09Å; I551-A691 HydrophobicContact CG2-CB 3.99Å
552	A	97.5	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-35.1	176.6	0	0	0	0	0	112.3	E548 R549 L555 Y556 Y694 L698	E548-A552 PolarHBondContact O-N 3.5Å; R549-A552 PolarHBondContact O-N 2.95Å; R549-A552 VanDerWaalsContact O-N 3.15Å; A552-L555 PolarHBondContact O-N 3.36Å; A552-Y556 VanDerWaalsContact O-CB 3.32Å; A552-Y556 WeakPolarHBondContact O-CB 3.43Å; A552-Y556 PolarHBondContact O-N 2.87Å; A552-Y694 HydrophobicContact CB-CD1 3.66Å; A552-Y694 HydrophobicContact CB-CD2 4.48Å; A552-Y694 HydrophobicContact CB-CE1 4.22Å; A552-Y694 HydrophobicContact CB-CG 3.78Å; A552-L698 HydrophobicContact CB-CD1 4.5Å
553	L	96.2	Very high	95.7	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-67.8	-42.5	173.8	-70.4	179.5	0	0	0	112	R549 L550 I551 L555 Y556 M557 F569 L609 L698	R549-L553 HydrophobicContact CG-CD1 4.29Å; R549-L553 HydrophobicContact CG-CG 4.39Å; R549-L553 WeakPolarHBondContact O-CB 3.43Å; R549-L553 VanDerWaalsContact O-CG 3.27Å; R549-L553 WeakPolarHBondContact O-CG 3.37Å; R549-L553 PolarHBondContact O-N 3.48Å; L550-L553 PolarHBondContact O-N 2.92Å; I551-L553 VanDerWaalsContact C-N 3.3Å; I551-L553 PolarHBondContact O-N 3.12Å; L553-L555 VanDerWaalsContact C-N 3.27Å; L553-L555 PolarHBondContact O-N 3.03Å; L553-Y556 WeakPolarHBondContact O-CB 3.34Å; L553-Y556 PolarHBondContact O-N 3.33Å; L553-M557 HydrophobicContact CB-CE 4.47Å; L553-M557 VanDerWaalsContact O-CG 3.28Å; L553-M557 WeakPolarHBondContact O-CG 3.36Å; L553-M557 PolarHBondContact O-N 2.9Å; L553-F569 HydrophobicContact CD1-CB 4.28Å; L553-F569 HydrophobicContact CD1-CD1 4.22Å; L553-F569 HydrophobicContact CD1-CG 4.31Å; L553-F569 HydrophobicContact CD2-CD1 3.22Å; L553-F569 HydrophobicContact CD2-CD2 4.3Å; L553-F569 HydrophobicContact CD2-CE1 3.22Å; L553-F569 HydrophobicContact CD2-CE2 4.3Å; L553-F569 HydrophobicContact CD2-CG 3.8Å; L553-F569 HydrophobicContact CD2-CZ 3.8Å; L553-F569 HydrophobicContact CG-CD1 4.36Å; L553-L609 HydrophobicContact CD1-CD1 4.35Å; L553-L698 HydrophobicContact CD2-CD1 3.76Å
554	E	96.2	Very high	95.2	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.093	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-41.7	173.9	-172.5	171.4	-146.7	0	0	110.8	L550 I551 N558 R596 I597 R600	L550-E554 WeakPolarHBondContact O-CB 3.46Å; L550-E554 PolarHBondContact O-N 3.11Å; I551-E554 PolarHBondContact O-N 2.86Å; E554-N558 VanDerWaalsContact O-CG 3.23Å; E554-N558 PolarHBondContact O-N 3.49Å; E554-N558 PolarHBondContact O-ND2 3.5Å; E554-R596 IonicContact OE1-CZ 3.46Å; E554-R596 IonicContact OE1-NE 3.11Å; E554-R596 PolarHBondContact OE1-NE 3.18Å; E554-R596 IonicContact OE1-NH2 3.38Å; E554-R596 IonicContact OE2-CZ 3.68Å; E554-R596 IonicContact OE2-NE 3.46Å; E554-R596 PolarHBondContact OE2-NE 3.29Å; E554-R596 IonicContact OE2-NH2 2.97Å; E554-R596 PolarHBondContact OE2-NH2 2.82Å; E554-I597 HydrophobicContact CB-CD1 3.97Å; E554-I597 HydrophobicContact CB-CG1 3.97Å; E554-I597 HydrophobicContact CG-CG1 4.09Å; E554-R600 IonicContact OE1-CZ 2.84Å; E554-R600 VanDerWaalsContact OE1-CZ 3.32Å; E554-R600 IonicContact OE1-NE 2.72Å; E554-R600 IonicContact OE1-NH2 2.7Å; E554-R600 PolarHBondContact OE1-NH2 3.44Å
555	L	96.8	Very high	94.9	Very high	57 Å²	57	39.5 Å²	39.5	30%	0.298	19%	0.188	S	C	.	.	H	α-helix	trans	-67.9	-42.4	175.2	-176	60.2	0	0	0	112.3	I551 A552 L553 M557 N558 K559 A691 E692 C695	I551-L555 PolarHBondContact O-N 3.02Å; A552-L555 PolarHBondContact O-N 3.36Å; L553-L555 VanDerWaalsContact C-N 3.27Å; L553-L555 PolarHBondContact O-N 3.03Å; L555-M557 VanDerWaalsContact C-N 3.28Å; L555-M557 PolarHBondContact O-N 2.99Å; L555-N558 PolarHBondContact O-N 2.98Å; L555-K559 WeakPolarHBondContact O-CB 3.29Å; L555-K559 PolarHBondContact O-N 3.44Å; L555-A691 HydrophobicContact CD2-CB 4.18Å; L555-E692 HydrophobicContact CD2-CB 4.31Å; L555-C695 HydrophobicContact CB-CB 4.48Å; L555-C695 HydrophobicContact CD2-CB 4.03Å; L555-C695 HydrophobicContact CG-CB 4.19Å
556	Y	97	Very high	94.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-55.4	-44.1	175.7	179.9	-91.4	0	0	0	111.8	A552 L553 N558 K559 Y560 R563 D567 F569 C695 L698 Y699	A552-Y556 VanDerWaalsContact O-CB 3.32Å; A552-Y556 WeakPolarHBondContact O-CB 3.43Å; A552-Y556 PolarHBondContact O-N 2.87Å; L553-Y556 WeakPolarHBondContact O-CB 3.34Å; L553-Y556 PolarHBondContact O-N 3.33Å; Y556-N558 VanDerWaalsContact C-N 3.27Å; Y556-N558 PolarHBondContact O-N 3.13Å; Y556-K559 PolarHBondContact O-N 3.42Å; Y556-Y560 AromaticContact CD2-CD2 3.73Å; Y556-Y560 HydrophobicContact CD2-CD2 3.73Å; Y556-Y560 HydrophobicContact CD2-CE2 4.35Å; Y556-Y560 AromaticContact CE2-CD2 3.87Å; Y556-Y560 HydrophobicContact CE2-CD2 3.87Å; Y556-Y560 HydrophobicContact CG-CD2 4.42Å; Y556-Y560 PolarHBondContact O-N 3.31Å; Y556-R563 HydrophobicContact CE1-CB 3.99Å; Y556-R563 VanDerWaalsContact OH-CB 3.24Å; Y556-R563 WeakPolarHBondContact OH-CB 3.49Å; Y556-D567 PolarHBondContact OH-OD2 3.2Å; Y556-F569 HydrophobicContact CD1-CE2 4.01Å; Y556-F569 AromaticContact CD1-CZ 3.67Å; Y556-F569 HydrophobicContact CD1-CZ 3.67Å; Y556-F569 AromaticContact CE1-CE2 3.96Å; Y556-F569 HydrophobicContact CE1-CE2 3.96Å; Y556-F569 AromaticContact CE1-CZ 3.57Å; Y556-F569 HydrophobicContact CE1-CZ 3.57Å; Y556-F569 HydrophobicContact CG-CZ 4.47Å; Y556-C695 WeakPolarHBondContact CA-SG 3.32Å; Y556-L698 HydrophobicContact CD2-CB 3.88Å; Y556-L698 HydrophobicContact CE2-CB 4.1Å; Y556-Y699 HydrophobicContact CE2-CD2 4.48Å
557	M	94.6	Very high	94.8	Very high	14 Å²	14	41.9 Å²	41.9	7%	0.069	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-31	178.1	-66.5	176.2	-162.7	0	0	113	L553 L555 A564 F569 I597 F601 P608 L609	L553-M557 HydrophobicContact CB-CE 4.47Å; L553-M557 VanDerWaalsContact O-CG 3.28Å; L553-M557 WeakPolarHBondContact O-CG 3.36Å; L553-M557 PolarHBondContact O-N 2.9Å; L555-M557 VanDerWaalsContact C-N 3.28Å; L555-M557 PolarHBondContact O-N 2.99Å; M557-A564 HydrophobicContact CB-CB 4.06Å; M557-A564 HydrophobicContact CG-CB 4.08Å; M557-F569 HydrophobicContact CE-CD2 4.24Å; M557-I597 HydrophobicContact CE-CG2 3.94Å; M557-I597 HydrophobicContact SD-CG2 3.71Å; M557-F601 HydrophobicContact SD-CE2 4.1Å; M557-F601 HydrophobicContact SD-CZ 4.09Å; M557-P608 HydrophobicContact CE-CB 3.86Å; M557-P608 HydrophobicContact CE-CG 4.22Å; M557-P608 HydrophobicContact SD-CB 4.41Å; M557-P608 HydrophobicContact SD-CG 4.12Å; M557-L609 HydrophobicContact CE-CB 4.08Å
558	N	94.4	Very high	94.8	Very high	90 Å²	90	38.1 Å²	38.1	48%	0.481	19%	0.187	S	C	.	.	H	α-helix	trans	-83.6	-37.4	178.3	-58.3	-34.5	0	0	0	112.3	E554 L555 Y556 R600	E554-N558 VanDerWaalsContact O-CG 3.23Å; E554-N558 PolarHBondContact O-N 3.49Å; E554-N558 PolarHBondContact O-ND2 3.5Å; L555-N558 PolarHBondContact O-N 2.98Å; Y556-N558 VanDerWaalsContact C-N 3.27Å; Y556-N558 PolarHBondContact O-N 3.13Å; N558-R600 PolarHBondContact ND2-NH1 2.89Å; N558-R600 PolarHBondContact OD1-NH1 3.42Å
559	K	96.6	Very high	94.8	Very high	77 Å²	77	37.2 Å²	37.2	34%	0.335	18%	0.182	S	C	.	.	H	α-helix	trans	-80.1	-30.9	-175.8	-168.4	173.8	-177.5	177.6	0	112.3	L555 Y556 E692 D696	L555-K559 WeakPolarHBondContact O-CB 3.29Å; L555-K559 PolarHBondContact O-N 3.44Å; Y556-K559 PolarHBondContact O-N 3.42Å; K559-E692 IonicContact NZ-OE1 3.09Å; K559-D696 IonicContact NZ-OD1 3.75Å; K559-D696 PolarHBondContact NZ-OD1 2.76Å; K559-D696 IonicContact NZ-OD2 3.55Å
560	Y	95.7	Very high	94.8	Very high	37 Å²	37	37.3 Å²	37.3	15%	0.145	18%	0.183	C	C	.	.			trans	-129.7	63.6	-178.2	-54.3	-69.9	0	0	0	111.2	Y556 E562 R563 A564 D696 Y699	Y556-Y560 AromaticContact CD2-CD2 3.73Å; Y556-Y560 HydrophobicContact CD2-CD2 3.73Å; Y556-Y560 HydrophobicContact CD2-CE2 4.35Å; Y556-Y560 AromaticContact CE2-CD2 3.87Å; Y556-Y560 HydrophobicContact CE2-CD2 3.87Å; Y556-Y560 HydrophobicContact CG-CD2 4.42Å; Y556-Y560 PolarHBondContact O-N 3.31Å; Y560-E562 WeakPolarHBondContact CA-OE2 2.83Å; Y560-E562 PolarHBondContact O-N 3.27Å; Y560-R563 WeakPolarHBondContact O-CB 3.44Å; Y560-R563 PolarHBondContact O-N 3.09Å; Y560-A564 PolarHBondContact O-N 2.99Å; Y560-D696 PolarHBondContact OH-OD1 3.26Å; Y560-Y699 AromaticContact CD1-CD2 3.46Å; Y560-Y699 HydrophobicContact CD1-CD2 3.46Å; Y560-Y699 VanDerWaalsContact CD1-CD2 3.46Å; Y560-Y699 AromaticContact CD1-CE2 3.58Å; Y560-Y699 HydrophobicContact CD1-CE2 3.58Å; Y560-Y699 HydrophobicContact CD1-CG 4.21Å; Y560-Y699 AromaticContact CD2-CD2 3.85Å; Y560-Y699 HydrophobicContact CD2-CD2 3.85Å; Y560-Y699 HydrophobicContact CD2-CG 4.24Å; Y560-Y699 HydrophobicContact CE1-CD1 4.3Å; Y560-Y699 AromaticContact CE1-CD2 3.57Å; Y560-Y699 HydrophobicContact CE1-CD2 3.57Å; Y560-Y699 HydrophobicContact CE1-CE1 4.48Å; Y560-Y699 AromaticContact CE1-CE2 3.77Å; Y560-Y699 HydrophobicContact CE1-CE2 3.77Å; Y560-Y699 AromaticContact CE1-CG 3.85Å; Y560-Y699 HydrophobicContact CE1-CG 3.85Å; Y560-Y699 AromaticContact CE2-CD2 3.93Å; Y560-Y699 HydrophobicContact CE2-CD2 3.93Å; Y560-Y699 AromaticContact CE2-CG 3.88Å; Y560-Y699 HydrophobicContact CE2-CG 3.88Å; Y560-Y699 AromaticContact CG-CD2 3.61Å; Y560-Y699 HydrophobicContact CG-CD2 3.61Å; Y560-Y699 HydrophobicContact CG-CE2 4.11Å; Y560-Y699 HydrophobicContact CG-CG 4.38Å; Y560-Y699 AromaticContact CZ-CD2 3.79Å; Y560-Y699 AromaticContact CZ-CG 3.67Å
561	P	90.8	Very high	94.8	Very high	66 Å²	66	37.5 Å²	37.5	43%	0.429	18%	0.184	S	C	.	.	H	α-helix	trans	-58	-34.8	-176.4	24.5	-34.3	0	0	0	113	R563 A564 E565	P561-R563 PolarHBondContact O-N 3.2Å; P561-A564 WeakPolarHBondContact O-CB 3.39Å; P561-A564 PolarHBondContact O-N 3.23Å; P561-A564 VanDerWaalsContact O-N 3.13Å; P561-E565 WeakPolarHBondContact O-CG 3.31Å; P561-E565 PolarHBondContact O-N 2.86Å
562	E	90.8	Very high	94.8	Very high	93 Å²	93	35.3 Å²	35.3	44%	0.435	17%	0.173	S	C	.	.	H	α-helix	trans	-63.1	-31.6	176.7	76.7	-66.8	165.6	0	0	112.8	Y560 N566	Y560-E562 WeakPolarHBondContact CA-OE2 2.83Å; Y560-E562 PolarHBondContact O-N 3.27Å; E562-N566 PolarHBondContact O-ND2 3.3Å
563	R	92.3	Very high	94.7	Very high	51 Å²	51	35.3 Å²	35.3	19%	0.192	17%	0.173	C	C	.	.	H	α-helix	trans	-79.5	-41.3	172	-64.3	-55.3	-55.5	-174.1	-0.3	110.9	Y556 Y560 P561 E565 N566 D567 Y699	Y556-R563 HydrophobicContact CE1-CB 3.99Å; Y556-R563 VanDerWaalsContact OH-CB 3.24Å; Y556-R563 WeakPolarHBondContact OH-CB 3.49Å; Y560-R563 WeakPolarHBondContact O-CB 3.44Å; Y560-R563 PolarHBondContact O-N 3.09Å; P561-R563 PolarHBondContact O-N 3.2Å; R563-E565 PolarHBondContact O-N 2.92Å; R563-N566 CarbonylContact O-C 3.6Å; R563-N566 PolarHBondContact O-N 3.22Å; R563-D567 IonicContact CZ-OD1 2.7Å; R563-D567 IonicContact CZ-OD2 2.76Å; R563-D567 IonicContact NE-OD1 3.17Å; R563-D567 IonicContact NE-OD2 2.95Å; R563-D567 PolarHBondContact NE-OD2 2.95Å; R563-D567 VanDerWaalsContact NH2-CG 3.27Å; R563-D567 IonicContact NH2-OD1 3.02Å; R563-D567 PolarHBondContact NH2-OD1 2.88Å; R563-D567 IonicContact NH2-OD2 3.67Å; R563-D567 PolarHBondContact NH2-OD2 3.43Å; R563-D567 WeakPolarHBondContact O-CB 3.31Å; R563-D567 PolarHBondContact O-N 3.41Å; R563-Y699 HydrophobicContact CG-CD2 4.22Å; R563-Y699 HydrophobicContact CG-CE2 4.06Å
564	A	85.3	Confident	94.5	Very high	7 Å²	7	38.9 Å²	38.9	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-55.9	-38	179	0	0	0	0	0	112.3	R529 M557 Y560 P561 N566 P608	R529-A564 PolarHBondContact NH1-O 3.17Å; R529-A564 VanDerWaalsContact NH1-O 3.14Å; M557-A564 HydrophobicContact CB-CB 4.06Å; M557-A564 HydrophobicContact CG-CB 4.08Å; Y560-A564 PolarHBondContact O-N 2.99Å; P561-A564 WeakPolarHBondContact O-CB 3.39Å; P561-A564 PolarHBondContact O-N 3.23Å; P561-A564 VanDerWaalsContact O-N 3.13Å; A564-N566 PolarHBondContact O-N 2.86Å; A564-P608 HydrophobicContact CB-CG 4.5Å; A564-P608 WeakPolarHBondContact O-CG 3.42Å
565	E	87.6	Confident	94.2	Very high	140 Å²	140	41.4 Å²	41.4	65%	0.654	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-21	175.8	-71.8	179.2	-176.1	0	0	113.9	R529 P561 R563	R529-E565 PolarHBondContact NH1-O 2.68Å; P561-E565 WeakPolarHBondContact O-CG 3.31Å; P561-E565 PolarHBondContact O-N 2.86Å; R563-E565 PolarHBondContact O-N 2.92Å
566	N	94.1	Very high	93.5	Very high	49 Å²	49	40 Å²	40	26%	0.262	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-28.8	-173.6	-73	-64.5	0	0	0	113.9	R529 G531 E562 R563 A564	R529-N566 VanDerWaalsContact CB-O 3.29Å; R529-N566 WeakPolarHBondContact CB-O 3.22Å; G531-N566 VanDerWaalsContact CA-O 3.25Å; G531-N566 WeakPolarHBondContact CA-O 3.36Å; G531-N566 PolarHBondContact N-O 3.42Å; E562-N566 PolarHBondContact O-ND2 3.3Å; R563-N566 CarbonylContact O-C 3.6Å; R563-N566 PolarHBondContact O-N 3.22Å; A564-N566 PolarHBondContact O-N 2.86Å
567	D	96.8	Very high	92.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.			trans	-88.1	152.3	-177	-66.5	-16.7	0	0	0	110.8	R529 G531 K532 F534 Y556 R563 F569	R529-D567 PolarHBondContact NH1-O 3.38Å; G531-D567 WeakPolarHBondContact CA-OD1 3.29Å; K532-D567 PolarHBondContact N-OD1 3.17Å; K532-D567 WeakPolarHBondContact O-CA 3.39Å; F534-D567 HydrophobicContact CE2-CB 4.17Å; Y556-D567 PolarHBondContact OH-OD2 3.2Å; R563-D567 IonicContact CZ-OD1 2.7Å; R563-D567 IonicContact CZ-OD2 2.76Å; R563-D567 IonicContact NE-OD1 3.17Å; R563-D567 IonicContact NE-OD2 2.95Å; R563-D567 PolarHBondContact NE-OD2 2.95Å; R563-D567 VanDerWaalsContact NH2-CG 3.27Å; R563-D567 IonicContact NH2-OD1 3.02Å; R563-D567 PolarHBondContact NH2-OD1 2.88Å; R563-D567 IonicContact NH2-OD2 3.67Å; R563-D567 PolarHBondContact NH2-OD2 3.43Å; R563-D567 WeakPolarHBondContact O-CB 3.31Å; R563-D567 PolarHBondContact O-N 3.41Å; D567-F569 HydrophobicContact CB-CE2 4.16Å; D567-F569 HydrophobicContact CB-CZ 4.45Å
568	R	97.4	Very high	92.3	Very high	25 Å²	25	44.1 Å²	44.1	9%	0.094	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.4	175.8	-66.8	-65.3	-67	-110.5	19.6	109.6	I525 M526 K532 L533 F534 P608	I525-R568 HydrophobicContact CG2-CB 4.13Å; I525-R568 HydrophobicContact CG2-CG 4.21Å; I525-R568 PolarHBondContact O-NH1 2.8Å; M526-R568 HydrophobicContact CE-CG 4.42Å; M526-R568 HydrophobicContact SD-CB 3.88Å; M526-R568 HydrophobicContact SD-CG 3.66Å; K532-R568 PolarHBondContact O-N 3.15Å; L533-R568 HydrophobicContact CD1-CB 3.74Å; F534-R568 PolarHBondContact N-O 3.37Å; R568-P608 WeakPolarHBondContact CA-O 3.35Å
569	F	97.7	Very high	91.6	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116.3	179.4	-62.1	-89.5	0	0	0	109.6	F534 L553 Y556 M557 D567 P608 L609 I610	F534-F569 HydrophobicContact CB-CD1 3.36Å; F534-F569 HydrophobicContact CB-CE1 3.75Å; F534-F569 HydrophobicContact CB-CG 4.17Å; F534-F569 HydrophobicContact CD1-CD1 4.13Å; F534-F569 AromaticContact CD1-CE1 3.67Å; F534-F569 HydrophobicContact CD1-CE1 3.67Å; F534-F569 AromaticContact CD2-CD1 3.71Å; F534-F569 HydrophobicContact CD2-CD1 3.71Å; F534-F569 AromaticContact CD2-CE1 3.25Å; F534-F569 HydrophobicContact CD2-CE1 3.25Å; F534-F569 HydrophobicContact CD2-CE2 4.4Å; F534-F569 HydrophobicContact CD2-CG 4.45Å; F534-F569 AromaticContact CD2-CZ 3.65Å; F534-F569 HydrophobicContact CD2-CZ 3.65Å; F534-F569 AromaticContact CE1-CE1 3.94Å; F534-F569 HydrophobicContact CE1-CE1 3.94Å; F534-F569 HydrophobicContact CE2-CD1 4.46Å; F534-F569 AromaticContact CE2-CE1 3.58Å; F534-F569 HydrophobicContact CE2-CE1 3.58Å; F534-F569 AromaticContact CE2-CZ 3.64Å; F534-F569 HydrophobicContact CE2-CZ 3.64Å; F534-F569 AromaticContact CG-CD1 3.5Å; F534-F569 HydrophobicContact CG-CD1 3.5Å; F534-F569 VanDerWaalsContact CG-CD1 3.5Å; F534-F569 AromaticContact CG-CE1 3.29Å; F534-F569 HydrophobicContact CG-CE1 3.29Å; F534-F569 HydrophobicContact CG-CG 4.5Å; F534-F569 HydrophobicContact CG-CZ 4.16Å; F534-F569 AromaticContact CZ-CE1 3.88Å; F534-F569 HydrophobicContact CZ-CE1 3.88Å; F534-F569 HydrophobicContact CZ-CZ 4.12Å; L553-F569 HydrophobicContact CD1-CB 4.28Å; L553-F569 HydrophobicContact CD1-CD1 4.22Å; L553-F569 HydrophobicContact CD1-CG 4.31Å; L553-F569 HydrophobicContact CD2-CD1 3.22Å; L553-F569 HydrophobicContact CD2-CD2 4.3Å; L553-F569 HydrophobicContact CD2-CE1 3.22Å; L553-F569 HydrophobicContact CD2-CE2 4.3Å; L553-F569 HydrophobicContact CD2-CG 3.8Å; L553-F569 HydrophobicContact CD2-CZ 3.8Å; L553-F569 HydrophobicContact CG-CD1 4.36Å; Y556-F569 HydrophobicContact CD1-CE2 4.01Å; Y556-F569 AromaticContact CD1-CZ 3.67Å; Y556-F569 HydrophobicContact CD1-CZ 3.67Å; Y556-F569 AromaticContact CE1-CE2 3.96Å; Y556-F569 HydrophobicContact CE1-CE2 3.96Å; Y556-F569 AromaticContact CE1-CZ 3.57Å; Y556-F569 HydrophobicContact CE1-CZ 3.57Å; Y556-F569 HydrophobicContact CG-CZ 4.47Å; M557-F569 HydrophobicContact CE-CD2 4.24Å; D567-F569 HydrophobicContact CB-CE2 4.16Å; D567-F569 HydrophobicContact CB-CZ 4.45Å; F569-P608 HydrophobicContact CD2-CB 4.18Å; F569-P608 PolarHBondContact N-O 3.19Å; F569-L609 HydrophobicContact CB-CD1 4.28Å; F569-L609 CarbonylContact O-C 3.55Å; F569-I610 PolarHBondContact O-N 3.41Å
570	I	97.9	Very high	91.2	Very high	4 Å²	4	42 Å²	42	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.5	171.8	-55.3	174.3	0	0	0	108.4	I525 L533 F534 L535 S536 V572 I610 I612	I525-I570 HydrophobicContact CD1-CD1 3.42Å; I525-I570 VanDerWaalsContact CD1-CD1 3.42Å; I525-I570 HydrophobicContact CD1-CG1 4.42Å; I525-I570 HydrophobicContact CG2-CD1 4.33Å; L533-I570 HydrophobicContact CD1-CD1 3.83Å; L533-I570 HydrophobicContact CD1-CG1 3.94Å; L533-I570 HydrophobicContact CD2-CD1 4.38Å; L533-I570 HydrophobicContact CG-CD1 4.49Å; F534-I570 PolarHBondContact O-N 3.05Å; L535-I570 HydrophobicContact CD1-CB 3.75Å; L535-I570 HydrophobicContact CD1-CD1 4.41Å; L535-I570 HydrophobicContact CD1-CG2 3.71Å; S536-I570 PolarHBondContact N-O 2.82Å; I570-V572 HydrophobicContact CG2-CG2 4.01Å; I570-I610 WeakPolarHBondContact CA-O 3.33Å; I570-I610 HydrophobicContact CG1-CB 4.43Å; I570-I610 HydrophobicContact CG1-CD1 4.23Å; I570-I612 HydrophobicContact CG2-CD1 4Å
571	Q	97.9	Very high	90.9	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.014	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	101.8	169.8	178	66.6	70.3	0	0	109	S536 I546 A573 L609 I610 M611 I612	S536-Q571 PolarHBondContact OG-NE2 2.83Å; I546-Q571 HydrophobicContact CG2-CG 4.35Å; Q571-A573 HydrophobicContact CG-CB 4.14Å; Q571-L609 HydrophobicContact CB-CD1 4.46Å; Q571-I610 PolarHBondContact N-O 3.17Å; Q571-M611 HydrophobicContact CB-CE 4.31Å; Q571-M611 HydrophobicContact CB-SD 3.53Å; Q571-M611 VanDerWaalsContact CB-SD 3.53Å; Q571-M611 HydrophobicContact CG-CE 3.84Å; Q571-M611 HydrophobicContact CG-SD 3.68Å; Q571-I612 PolarHBondContact O-N 3.41Å
572	V	97.6	Very high	91	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.1	166	-171	0	0	0	0	107.4	L535 S536 A537 E538 I570 I612 L616	L535-V572 HydrophobicContact CD1-CG2 4.47Å; S536-V572 PolarHBondContact O-N 2.87Å; A537-V572 WeakPolarHBondContact CA-O 3.4Å; A537-V572 HydrophobicContact CB-CB 3.98Å; A537-V572 HydrophobicContact CB-CG2 4.32Å; E538-V572 PolarHBondContact N-O 2.78Å; I570-V572 HydrophobicContact CG2-CG2 4.01Å; V572-I612 CarbonylContact C-O 3.55Å; V572-I612 WeakPolarHBondContact CA-O 3.42Å; V572-I612 HydrophobicContact CG1-CB 4.45Å; V572-I612 HydrophobicContact CG1-CG2 4.41Å; V572-I612 HydrophobicContact CG2-CB 4.27Å; V572-I612 HydrophobicContact CG2-CD1 4.28Å; V572-L616 HydrophobicContact CG1-CG 4.4Å; V572-L616 HydrophobicContact CG2-CD1 3.78Å; V572-L616 HydrophobicContact CG2-CG 4.23Å
573	A	95.2	Very high	91.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	89.9	-175.4	0	0	0	0	0	111	E538 L540 I546 Q571 I575 M611 I612 T613	E538-A573 VanDerWaalsContact O-CA 3.27Å; E538-A573 WeakPolarHBondContact O-CA 3.29Å; L540-A573 HydrophobicContact CB-CB 4.13Å; L540-A573 HydrophobicContact CD1-CB 3.55Å; L540-A573 HydrophobicContact CG-CB 4.39Å; I546-A573 HydrophobicContact CD1-CB 4.03Å; Q571-A573 HydrophobicContact CG-CB 4.14Å; A573-I575 PolarHBondContact O-N 2.66Å; A573-M611 HydrophobicContact CB-CE 4.36Å; A573-I612 PolarHBondContact N-O 3.36Å; A573-T613 WeakPolarHBondContact O-CA 3.41Å
574	I	91.9	Very high	91.1	Very high	76 Å²	76	44.8 Å²	44.8	39%	0.39	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	121.1	-173	-53.1	176.9	0	0	0	110.1	E538 L540 N576	E538-I574 PolarHBondContact O-N 3.05Å; L540-I574 PolarHBondContact N-O 2.94Å; I574-N576 PolarHBondContact O-N 3.32Å
575	I	89.3	Confident	91.6	Very high	74 Å²	74	51.6 Å²	51.6	38%	0.379	25%	0.253	S	S	.	.			trans	-66.1	127.6	175.8	-62.1	173	0	0	0	109.4	L540 A573 T613	L540-I575 HydrophobicContact CD2-CG1 3.96Å; A573-I575 PolarHBondContact O-N 2.66Å; I575-T613 HydrophobicContact CD1-CG2 4.42Å
576	N	83.3	Confident	92	Very high	28 Å²	28	45.4 Å²	45.4	15%	0.15	22%	0.224	C	C	.	.			trans	-140.5	162	177.7	68.7	-25.4	0	0	0	111.3	I574 S578 Q587	I574-N576 PolarHBondContact O-N 3.32Å; N576-S578 PolarHBondContact O-N 3.49Å; N576-S578 VanDerWaalsContact O-N 3.09Å; N576-Q587 PolarHBondContact O-NE2 3.35Å
577	R	84.1	Confident	92.1	Very high	35 Å²	35	43.5 Å²	43.5	13%	0.132	21%	0.214	C	C	.	.			trans	53.2	34.4	171.2	-61.6	174.1	174.2	169.5	-8.7	114.4	N339 Y396 D541 S579 I580 Y583	N339-R577 PolarHBondContact OD1-NE 3.24Å; N339-R577 PolarHBondContact OD1-NH1 3.2Å; N339-R577 VanDerWaalsContact OD1-NH1 3.09Å; N339-R577 PolarHBondContact OD1-NH2 2.93Å; Y396-R577 PolarHBondContact OH-NH2 3.46Å; D541-R577 IonicContact OD2-NH1 2.73Å; R577-S579 PolarHBondContact O-N 2.81Å; R577-S579 VanDerWaalsContact O-N 3.12Å; R577-I580 HydrophobicContact CB-CD1 4.17Å; R577-I580 PolarHBondContact O-N 3.28Å; R577-Y583 HydrophobicContact CB-CD1 3.96Å; R577-Y583 HydrophobicContact CB-CD2 4.26Å; R577-Y583 HydrophobicContact CB-CE1 4.25Å; R577-Y583 HydrophobicContact CB-CG 3.97Å; R577-Y583 PolarHBondContact NH1-OH 3.31Å
578	S	81.2	Confident	92	Very high	65 Å²	65	48.7 Å²	48.7	46%	0.455	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.6	-177.3	38.8	0	0	0	0	114.5	N576 I580 R584	N576-S578 PolarHBondContact O-N 3.49Å; N576-S578 VanDerWaalsContact O-N 3.09Å; S578-I580 VanDerWaalsContact C-N 3.27Å; S578-R584 PolarHBondContact O-NE 2.87Å; S578-R584 VanDerWaalsContact O-NE 3.16Å; S578-R584 PolarHBondContact O-NH2 3.47Å
579	S	81.1	Confident	92	Very high	101 Å²	101	48.4 Å²	48.4	71%	0.706	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.4	169.3	53.4	0	0	0	0	113	R577	R577-S579 PolarHBondContact O-N 2.81Å; R577-S579 VanDerWaalsContact O-N 3.12Å
580	I	87.1	Confident	92	Very high	20 Å²	20	48.3 Å²	48.3	10%	0.103	24%	0.242	C	C	.	.	S	Bend	trans	-88.6	124.1	-178.2	-53.4	178.6	0	0	0	109.6	N339 R577 S578 A582 Y583 R584	N339-I580 HydrophobicContact CB-CD1 3.42Å; N339-I580 VanDerWaalsContact CB-CD1 3.42Å; R577-I580 HydrophobicContact CB-CD1 4.17Å; R577-I580 PolarHBondContact O-N 3.28Å; S578-I580 VanDerWaalsContact C-N 3.27Å; I580-A582 PolarHBondContact O-N 2.74Å; I580-Y583 HydrophobicContact CB-CD2 3.81Å; I580-Y583 HydrophobicContact CD1-CD2 4.17Å; I580-Y583 HydrophobicContact CD1-CE2 4.22Å; I580-Y583 HydrophobicContact CG2-CD2 3.79Å; I580-Y583 HydrophobicContact CG2-CE2 4.43Å; I580-Y583 PolarHBondContact O-N 3.39Å; I580-R584 PolarHBondContact O-N 2.97Å
581	R	90.5	Very high	91.9	Very high	159 Å²	159	50.2 Å²	50.2	60%	0.6	25%	0.253	S	S	*	.	H	α-helix	trans	-55.8	-44.4	-175.2	-175.1	179.5	178.7	-161.3	-1.6	113.5	Y583 R584 K585	R581-Y583 VanDerWaalsContact C-N 3.35Å; R581-Y583 PolarHBondContact O-N 2.99Å; R581-R584 PolarHBondContact O-N 3.03Å; R581-K585 PolarHBondContact O-N 3.35Å
582	A	91.8	Very high	91.9	Very high	25 Å²	25	55.6 Å²	55.6	21%	0.207	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-42	180	0	0	0	0	0	112.4	I580 Y586	I580-A582 PolarHBondContact O-N 2.74Å; A582-Y586 PolarHBondContact O-N 2.85Å; A582-Y586 VanDerWaalsContact O-N 3.11Å
583	Y	92.8	Very high	91.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-50.5	175	-79.1	-99.7	0	0	0	110.5	W343 D541 Y542 R577 I580 R581 K585 Y586 Q587	W343-Y583 VanDerWaalsContact CD1-OH 3.29Å; W343-Y583 PolarHBondContact NE1-OH 3.05Å; W343-Y583 VanDerWaalsContact NE1-OH 3.08Å; D541-Y583 HydrophobicContact CB-CE1 4.23Å; D541-Y583 WeakPolarHBondContact OD2-CE1 3.08Å; D541-Y583 PolarHBondContact OD2-OH 3.34Å; Y542-Y583 HydrophobicContact CD1-CE1 4.42Å; Y542-Y583 HydrophobicContact CD1-CE2 4.45Å; Y542-Y583 HydrophobicContact CE1-CD1 4.41Å; Y542-Y583 AromaticContact CE1-CD2 3.85Å; Y542-Y583 HydrophobicContact CE1-CD2 3.85Å; Y542-Y583 HydrophobicContact CE1-CE1 4.09Å; Y542-Y583 AromaticContact CE1-CE2 3.47Å; Y542-Y583 HydrophobicContact CE1-CE2 3.47Å; Y542-Y583 VanDerWaalsContact CE1-CE2 3.47Å; Y542-Y583 HydrophobicContact CE1-CG 4.3Å; Y542-Y583 AromaticContact CE1-CZ 3.59Å; R577-Y583 HydrophobicContact CB-CD1 3.96Å; R577-Y583 HydrophobicContact CB-CD2 4.26Å; R577-Y583 HydrophobicContact CB-CE1 4.25Å; R577-Y583 HydrophobicContact CB-CG 3.97Å; R577-Y583 PolarHBondContact NH1-OH 3.31Å; I580-Y583 HydrophobicContact CB-CD2 3.81Å; I580-Y583 HydrophobicContact CD1-CD2 4.17Å; I580-Y583 HydrophobicContact CD1-CE2 4.22Å; I580-Y583 HydrophobicContact CG2-CD2 3.79Å; I580-Y583 HydrophobicContact CG2-CE2 4.43Å; I580-Y583 PolarHBondContact O-N 3.39Å; R581-Y583 VanDerWaalsContact C-N 3.35Å; R581-Y583 PolarHBondContact O-N 2.99Å; Y583-K585 VanDerWaalsContact C-N 3.34Å; Y583-K585 PolarHBondContact O-N 3.19Å; Y583-Y586 PolarHBondContact O-N 2.7Å; Y583-Y586 VanDerWaalsContact O-N 3.14Å; Y583-Q587 WeakPolarHBondContact O-CB 3.42Å; Y583-Q587 WeakPolarHBondContact O-CG 3.29Å; Y583-Q587 PolarHBondContact O-N 2.76Å
584	R	93.6	Very high	92	Very high	122 Å²	122	56 Å²	56	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-55.1	-48.6	-179.7	-169	-175.7	-51.9	-175.5	6	112.2	S578 I580 R581 Y586 Q587 E588	S578-R584 PolarHBondContact O-NE 2.87Å; S578-R584 VanDerWaalsContact O-NE 3.16Å; S578-R584 PolarHBondContact O-NH2 3.47Å; I580-R584 PolarHBondContact O-N 2.97Å; R581-R584 PolarHBondContact O-N 3.03Å; R584-Y586 PolarHBondContact O-N 2.85Å; R584-Q587 PolarHBondContact O-N 3.38Å; R584-E588 HydrophobicContact CG-CG 4.5Å; R584-E588 WeakPolarHBondContact CG-OE1 3.39Å; R584-E588 WeakPolarHBondContact O-CB 3.31Å; R584-E588 WeakPolarHBondContact O-CG 3.36Å; R584-E588 PolarHBondContact O-N 2.81Å
585	K	94.9	Very high	92.2	Very high	150 Å²	150	59.4 Å²	59.4	65%	0.652	29%	0.288	S	S	*	.	H	α-helix	trans	-60.9	-42.2	178.3	-173	179.7	179.8	-177.2	0	112.3	R581 Y583 G589	R581-K585 PolarHBondContact O-N 3.35Å; Y583-K585 VanDerWaalsContact C-N 3.34Å; Y583-K585 PolarHBondContact O-N 3.19Å; K585-G589 PolarHBondContact O-N 2.68Å; K585-G589 VanDerWaalsContact O-N 3.11Å
586	Y	95.3	Very high	92.5	Very high	10 Å²	10	61 Å²	61	4%	0.039	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-43.9	176	-179.4	-99.6	0	0	0	111.9	Y352 I546 R547 A582 Y583 R584 G589 C590	Y352-Y586 AromaticContact CE1-CD2 3.88Å; Y352-Y586 HydrophobicContact CE1-CD2 3.88Å; Y352-Y586 HydrophobicContact CE1-CG 4.38Å; Y352-Y586 AromaticContact CZ-CD2 3.91Å; Y352-Y586 WeakPolarHBondContact OH-CD2 3.36Å; I546-Y586 PolarHBondContact N-OH 3.48Å; I546-Y586 VanDerWaalsContact N-OH 3.09Å; R547-Y586 HydrophobicContact CB-CE2 3.74Å; R547-Y586 PolarHBondContact N-OH 3.41Å; R547-Y586 VanDerWaalsContact N-OH 3.08Å; A582-Y586 PolarHBondContact O-N 2.85Å; A582-Y586 VanDerWaalsContact O-N 3.11Å; Y583-Y586 PolarHBondContact O-N 2.7Å; Y583-Y586 VanDerWaalsContact O-N 3.14Å; R584-Y586 PolarHBondContact O-N 2.85Å; Y586-G589 PolarHBondContact O-N 2.96Å; Y586-C590 WeakPolarHBondContact CE1-SG 3.43Å; Y586-C590 VanDerWaalsContact CZ-SG 3.58Å; Y586-C590 PolarHBondContact O-N 2.93Å; Y586-C590 PolarHBondContact O-SG 2.63Å
587	Q	96.2	Very high	93.1	Very high	10 Å²	10	59.7 Å²	59.7	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-47.2	-179.4	-67.4	170	-11.6	0	0	111.1	L540 N576 Y583 R584 G589 C590 L591	L540-Q587 HydrophobicContact CB-CG 4.31Å; L540-Q587 HydrophobicContact CD2-CB 3.63Å; L540-Q587 HydrophobicContact CD2-CG 3.53Å; L540-Q587 HydrophobicContact CG-CB 4.34Å; L540-Q587 HydrophobicContact CG-CG 3.81Å; L540-Q587 WeakPolarHBondContact O-CG 3.31Å; L540-Q587 PolarHBondContact O-NE2 3.08Å; L540-Q587 VanDerWaalsContact O-NE2 3.13Å; N576-Q587 PolarHBondContact O-NE2 3.35Å; Y583-Q587 WeakPolarHBondContact O-CB 3.42Å; Y583-Q587 WeakPolarHBondContact O-CG 3.29Å; Y583-Q587 PolarHBondContact O-N 2.76Å; R584-Q587 PolarHBondContact O-N 3.38Å; Q587-G589 VanDerWaalsContact C-N 3.33Å; Q587-G589 PolarHBondContact O-N 3.16Å; Q587-C590 PolarHBondContact O-N 3.42Å; Q587-L591 VanDerWaalsContact O-CG 3.28Å; Q587-L591 WeakPolarHBondContact O-CG 3.32Å; Q587-L591 PolarHBondContact O-N 2.59Å
588	E	96.3	Very high	93.6	Very high	108 Å²	108	61.4 Å²	61.4	51%	0.505	29%	0.292	S	S	.	.	H	α-helix	trans	-55.8	-47	174	-74.8	168.3	-179	0	0	111.4	R584 C590 L591 E592	R584-E588 HydrophobicContact CG-CG 4.5Å; R584-E588 WeakPolarHBondContact CG-OE1 3.39Å; R584-E588 WeakPolarHBondContact O-CB 3.31Å; R584-E588 WeakPolarHBondContact O-CG 3.36Å; R584-E588 PolarHBondContact O-N 2.81Å; E588-C590 PolarHBondContact O-N 2.98Å; E588-L591 PolarHBondContact O-N 2.94Å; E588-E592 WeakPolarHBondContact O-CB 3.39Å; E588-E592 PolarHBondContact O-N 3.12Å
589	G	96.8	Very high	94.2	Very high	20 Å²	20	61.5 Å²	61.5	21%	0.206	30%	0.303	C	S	.	.	H	α-helix	trans	-63.3	-38.2	177.5	0	0	0	0	0	113.7	K585 Y586 Q587 I593	K585-G589 PolarHBondContact O-N 2.68Å; K585-G589 VanDerWaalsContact O-N 3.11Å; Y586-G589 PolarHBondContact O-N 2.96Å; Q587-G589 VanDerWaalsContact C-N 3.33Å; Q587-G589 PolarHBondContact O-N 3.16Å; G589-I593 WeakPolarHBondContact O-CG1 3.17Å; G589-I593 PolarHBondContact O-N 2.87Å
590	C	97.1	Very high	94.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-45	174	-67.3	0	0	0	0	111.7	L540 L550 Y586 Q587 E588 E592 I593 A594	L540-C590 HydrophobicContact CD1-CB 4.08Å; L550-C590 HydrophobicContact CD1-CB 4.12Å; L550-C590 WeakPolarHBondContact CD1-O 3.15Å; Y586-C590 WeakPolarHBondContact CE1-SG 3.43Å; Y586-C590 VanDerWaalsContact CZ-SG 3.58Å; Y586-C590 PolarHBondContact O-N 2.93Å; Y586-C590 PolarHBondContact O-SG 2.63Å; Q587-C590 PolarHBondContact O-N 3.42Å; E588-C590 PolarHBondContact O-N 2.98Å; C590-E592 VanDerWaalsContact C-N 3.3Å; C590-E592 PolarHBondContact O-N 3.43Å; C590-I593 PolarHBondContact O-N 3.09Å; C590-A594 PolarHBondContact O-N 3Å
591	L	96.5	Very high	94.8	Very high	45 Å²	45	64.7 Å²	64.7	24%	0.236	30%	0.3	C	S	.	.	H	α-helix	trans	-66.6	-33	179.7	-67.3	174.7	0	0	0	112	Q587 E588 A594 R595 T613	Q587-L591 VanDerWaalsContact O-CG 3.28Å; Q587-L591 WeakPolarHBondContact O-CG 3.32Å; Q587-L591 PolarHBondContact O-N 2.59Å; E588-L591 PolarHBondContact O-N 2.94Å; L591-A594 PolarHBondContact O-N 3.38Å; L591-R595 WeakPolarHBondContact O-CB 3.36Å; L591-R595 WeakPolarHBondContact O-CG 3.08Å; L591-R595 PolarHBondContact O-N 3.45Å; L591-T613 HydrophobicContact CD2-CG2 4Å
592	E	97.5	Very high	94.7	Very high	115 Å²	115	64.8 Å²	64.8	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-46.3	172.9	-171.2	-171.8	161.9	0	0	111.8	E588 C590 R595 R596	E588-E592 WeakPolarHBondContact O-CB 3.39Å; E588-E592 PolarHBondContact O-N 3.12Å; C590-E592 VanDerWaalsContact C-N 3.3Å; C590-E592 PolarHBondContact O-N 3.43Å; E592-R595 PolarHBondContact O-N 3.33Å; E592-R596 WeakPolarHBondContact O-CB 3.08Å; E592-R596 PolarHBondContact O-N 2.83Å
593	I	97.5	Very high	94.4	Very high	10 Å²	10	66.7 Å²	66.7	5%	0.051	32%	0.316	C	S	.	.	H	α-helix	trans	-63.1	-44.1	176.5	-61.8	163.4	0	0	0	110.4	R547 L550 I551 G589 C590 R595 R596 I597	R547-I593 HydrophobicContact CG-CD1 3.75Å; L550-I593 HydrophobicContact CB-CB 4.39Å; L550-I593 HydrophobicContact CB-CG2 3.67Å; L550-I593 HydrophobicContact CD1-CB 4.4Å; L550-I593 HydrophobicContact CD1-CG2 4.5Å; I551-I593 HydrophobicContact CD1-CD1 4.36Å; I551-I593 HydrophobicContact CG1-CD1 4.09Å; G589-I593 WeakPolarHBondContact O-CG1 3.17Å; G589-I593 PolarHBondContact O-N 2.87Å; C590-I593 PolarHBondContact O-N 3.09Å; I593-R595 PolarHBondContact O-N 2.76Å; I593-R596 WeakPolarHBondContact O-CB 3.3Å; I593-R596 PolarHBondContact O-N 2.64Å; I593-I597 HydrophobicContact CG2-CD1 4.02Å; I593-I597 HydrophobicContact CG2-CG1 4.5Å; I593-I597 WeakPolarHBondContact O-CG1 3.5Å; I593-I597 PolarHBondContact O-N 3.23Å
594	A	96.9	Very high	94	Very high	3 Å²	3	75 Å²	75	3%	0.025	36%	0.355	C	S	.	.	H	α-helix	trans	-58.7	-47.5	176.6	0	0	0	0	0	112.1	C590 L591 R596 I597 Q598 L609 M611	C590-A594 PolarHBondContact O-N 3Å; L591-A594 PolarHBondContact O-N 3.38Å; A594-R596 VanDerWaalsContact C-N 3.31Å; A594-R596 PolarHBondContact O-N 3.23Å; A594-I597 PolarHBondContact O-N 3.27Å; A594-Q598 WeakPolarHBondContact O-CB 3.47Å; A594-Q598 VanDerWaalsContact O-CG 3.31Å; A594-Q598 WeakPolarHBondContact O-CG 3.41Å; A594-Q598 PolarHBondContact O-N 3.29Å; A594-L609 HydrophobicContact CB-CD2 4.42Å; A594-M611 HydrophobicContact CB-CE 4.48Å; A594-M611 HydrophobicContact CB-CG 3.73Å; A594-M611 HydrophobicContact CB-SD 4.24Å
595	R	96.2	Very high	93.5	Very high	147 Å²	147	76.8 Å²	76.8	56%	0.555	37%	0.369	S	S	*	.	H	α-helix	trans	-60.8	-40.1	175.4	-77.2	-171.5	-63.1	-95	-0.3	112	L591 E592 I593 Q598 G599	L591-R595 WeakPolarHBondContact O-CB 3.36Å; L591-R595 WeakPolarHBondContact O-CG 3.08Å; L591-R595 PolarHBondContact O-N 3.45Å; E592-R595 PolarHBondContact O-N 3.33Å; I593-R595 PolarHBondContact O-N 2.76Å; R595-Q598 PolarHBondContact O-N 3.3Å; R595-G599 PolarHBondContact O-N 2.92Å
596	R	96.2	Very high	93.2	Very high	108 Å²	108	74.6 Å²	74.6	41%	0.408	36%	0.359	S	S	.	.	H	α-helix	trans	-61.9	-43.3	175.9	-177	175.1	67.6	-132.1	3.8	111.8	E554 E592 I593 A594 R600	E554-R596 IonicContact OE1-CZ 3.46Å; E554-R596 IonicContact OE1-NE 3.11Å; E554-R596 PolarHBondContact OE1-NE 3.18Å; E554-R596 IonicContact OE1-NH2 3.38Å; E554-R596 IonicContact OE2-CZ 3.68Å; E554-R596 IonicContact OE2-NE 3.46Å; E554-R596 PolarHBondContact OE2-NE 3.29Å; E554-R596 IonicContact OE2-NH2 2.97Å; E554-R596 PolarHBondContact OE2-NH2 2.82Å; E592-R596 WeakPolarHBondContact O-CB 3.08Å; E592-R596 PolarHBondContact O-N 2.83Å; I593-R596 WeakPolarHBondContact O-CB 3.3Å; I593-R596 PolarHBondContact O-N 2.64Å; A594-R596 VanDerWaalsContact C-N 3.31Å; A594-R596 PolarHBondContact O-N 3.23Å; R596-R600 WeakPolarHBondContact O-CG 3.31Å
597	I	95.3	Very high	93	Very high	1 Å²	1	74.4 Å²	74.4	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-64	-49.4	175.6	-66.7	166.5	0	0	0	110.1	L550 E554 M557 I593 A594 G599 R600 F601 L609	L550-I597 HydrophobicContact CD2-CD1 4.5Å; E554-I597 HydrophobicContact CB-CD1 3.97Å; E554-I597 HydrophobicContact CB-CG1 3.97Å; E554-I597 HydrophobicContact CG-CG1 4.09Å; M557-I597 HydrophobicContact CE-CG2 3.94Å; M557-I597 HydrophobicContact SD-CG2 3.71Å; I593-I597 HydrophobicContact CG2-CD1 4.02Å; I593-I597 HydrophobicContact CG2-CG1 4.5Å; I593-I597 WeakPolarHBondContact O-CG1 3.5Å; I593-I597 PolarHBondContact O-N 3.23Å; A594-I597 PolarHBondContact O-N 3.27Å; I597-G599 VanDerWaalsContact C-N 3.34Å; I597-G599 PolarHBondContact O-N 3.36Å; I597-R600 WeakPolarHBondContact O-CB 3.15Å; I597-R600 PolarHBondContact O-N 3.04Å; I597-F601 HydrophobicContact CG2-CE2 4.4Å; I597-F601 VanDerWaalsContact O-CD2 3.24Å; I597-F601 WeakPolarHBondContact O-CD2 3.33Å; I597-F601 WeakPolarHBondContact O-CE2 3.45Å; I597-L609 HydrophobicContact CB-CD2 4.14Å; I597-L609 HydrophobicContact CD1-CD2 3.94Å; I597-L609 HydrophobicContact CG2-CB 4.14Å; I597-L609 HydrophobicContact CG2-CD2 3.96Å
598	Q	94.3	Very high	92.9	Very high	71 Å²	71	74 Å²	74	33%	0.332	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-40.9	-178.6	-71.9	172.6	-38.9	0	0	112.2	A594 R595 R600 F601	A594-Q598 WeakPolarHBondContact O-CB 3.47Å; A594-Q598 VanDerWaalsContact O-CG 3.31Å; A594-Q598 WeakPolarHBondContact O-CG 3.41Å; A594-Q598 PolarHBondContact O-N 3.29Å; R595-Q598 PolarHBondContact O-N 3.3Å; Q598-R600 PolarHBondContact O-N 3.19Å; Q598-R600 VanDerWaalsContact O-N 3.15Å; Q598-F601 PolarHBondContact O-N 2.91Å; Q598-F601 VanDerWaalsContact O-N 3.09Å
599	G	93.8	Very high	92.9	Very high	67 Å²	67	69 Å²	69	69%	0.691	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.7	179.1	0	0	0	0	0	115.2	R595 I597 F601	R595-G599 PolarHBondContact O-N 2.92Å; I597-G599 VanDerWaalsContact C-N 3.34Å; I597-G599 PolarHBondContact O-N 3.36Å; G599-F601 VanDerWaalsContact C-N 3.28Å
600	R	92	Very high	92.9	Very high	125 Å²	125	69.9 Å²	69.9	47%	0.472	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.5	171.5	-66.6	175.5	-176.3	-147.1	0.1	113.1	E554 N558 R596 I597 Q598	E554-R600 IonicContact OE1-CZ 2.84Å; E554-R600 VanDerWaalsContact OE1-CZ 3.32Å; E554-R600 IonicContact OE1-NE 2.72Å; E554-R600 IonicContact OE1-NH2 2.7Å; E554-R600 PolarHBondContact OE1-NH2 3.44Å; N558-R600 PolarHBondContact ND2-NH1 2.89Å; N558-R600 PolarHBondContact OD1-NH1 3.42Å; R596-R600 WeakPolarHBondContact O-CG 3.31Å; I597-R600 WeakPolarHBondContact O-CB 3.15Å; I597-R600 PolarHBondContact O-N 3.04Å; Q598-R600 PolarHBondContact O-N 3.19Å; Q598-R600 VanDerWaalsContact O-N 3.15Å
601	F	90.3	Very high	92.8	Very high	62 Å²	62	71.4 Å²	71.4	27%	0.272	34%	0.341	S	S	.	.	S	Bend	trans	-113.2	138.7	-175.5	-59.7	-88.5	0	0	0	110.3	M557 I597 Q598 G599 T603 K606 C607 P608	M557-F601 HydrophobicContact SD-CE2 4.1Å; M557-F601 HydrophobicContact SD-CZ 4.09Å; I597-F601 HydrophobicContact CG2-CE2 4.4Å; I597-F601 VanDerWaalsContact O-CD2 3.24Å; I597-F601 WeakPolarHBondContact O-CD2 3.33Å; I597-F601 WeakPolarHBondContact O-CE2 3.45Å; Q598-F601 PolarHBondContact O-N 2.91Å; Q598-F601 VanDerWaalsContact O-N 3.09Å; G599-F601 VanDerWaalsContact C-N 3.28Å; F601-T603 VanDerWaalsContact C-N 3.28Å; F601-T603 PolarHBondContact O-N 2.98Å; F601-K606 HydrophobicContact CB-CB 4.41Å; F601-C607 HydrophobicContact CB-CB 4.03Å; F601-C607 HydrophobicContact CD2-CB 4.11Å; F601-C607 HydrophobicContact CG-CB 4.14Å; F601-P608 HydrophobicContact CE1-CG 4.15Å; F601-P608 HydrophobicContact CE2-CG 4.47Å; F601-P608 HydrophobicContact CZ-CG 3.88Å
602	E	86.6	Confident	92.8	Very high	161 Å²	161	70.7 Å²	70.7	75%	0.752	34%	0.338	S	S	*	.	S	Bend	trans	-64.4	-30.8	-176.4	-63.4	167.2	-179.6	0	0	113.4	K606	E602-K606 HydrophobicContact CB-CD 4.5Å; E602-K606 IonicContact OE2-NZ 2.86Å; E602-K606 PolarHBondContact OE2-NZ 2.86Å
603	T	86.9	Confident	92.6	Very high	65 Å²	65	67.9 Å²	67.9	40%	0.399	33%	0.328	S	S	.	.	S	Bend	trans	-141.5	154.6	-175.8	59.1	0	0	0	0	110.9	F601 E605 K606 C607	F601-T603 VanDerWaalsContact C-N 3.28Å; F601-T603 PolarHBondContact O-N 2.98Å; T603-E605 PolarHBondContact O-N 3.06Å; T603-K606 PolarHBondContact O-N 3.05Å; T603-K606 VanDerWaalsContact O-N 3.13Å; T603-K606 WeakPolarHBondContact OG1-CG 3.37Å; T603-K606 PolarHBondContact OG1-N 3.27Å; T603-C607 PolarHBondContact O-N 2.6Å; T603-C607 VanDerWaalsContact O-N 3.09Å
604	E	83.2	Confident	92.2	Very high	174 Å²	174	72.3 Å²	72.3	81%	0.813	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-31.9	174.9	-65.9	-171.4	166.6	0	0	112.4	K606 C607	E604-K606 VanDerWaalsContact C-N 3.35Å; E604-C607 PolarHBondContact O-N 2.82Å
605	E	84.4	Confident	91.8	Very high	161 Å²	161	72.8 Å²	72.8	75%	0.752	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-34.6	176.7	-63.5	-179.7	176.2	0	0	112.6	R529 T603	R529-E605 PolarHBondContact NH2-O 3.46Å; T603-E605 PolarHBondContact O-N 3.06Å
606	K	87.4	Confident	91.5	Very high	104 Å²	104	67.8 Å²	67.8	45%	0.452	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-28.3	175	-74.3	-176.2	-179.7	-176.6	0	112.2	R529 F601 E602 T603 E604 P608	R529-K606 VanDerWaalsContact NH2-C 3.26Å; R529-K606 PolarHBondContact NH2-O 3.46Å; F601-K606 HydrophobicContact CB-CB 4.41Å; E602-K606 HydrophobicContact CB-CD 4.5Å; E602-K606 IonicContact OE2-NZ 2.86Å; E602-K606 PolarHBondContact OE2-NZ 2.86Å; T603-K606 PolarHBondContact O-N 3.05Å; T603-K606 VanDerWaalsContact O-N 3.13Å; T603-K606 WeakPolarHBondContact OG1-CG 3.37Å; T603-K606 PolarHBondContact OG1-N 3.27Å; E604-K606 VanDerWaalsContact C-N 3.35Å; K606-P608 WeakPolarHBondContact O-CD 3.39Å
607	C	91.8	Very high	91.3	Very high	5 Å²	5	67 Å²	67	3%	0.034	36%	0.358	C	S	.	.			trans	-66.9	124.6	179.8	-168.4	0	0	0	0	112	F601 T603 E604 L609	F601-C607 HydrophobicContact CB-CB 4.03Å; F601-C607 HydrophobicContact CD2-CB 4.11Å; F601-C607 HydrophobicContact CG-CB 4.14Å; T603-C607 PolarHBondContact O-N 2.6Å; T603-C607 VanDerWaalsContact O-N 3.09Å; E604-C607 PolarHBondContact O-N 2.82Å; C607-L609 VanDerWaalsContact C-N 3.31Å; C607-L609 PolarHBondContact O-N 2.97Å
608	P	94.1	Very high	91	Very high	1 Å²	1	72.3 Å²	72.3	1%	0.006	38%	0.378	C	S	.	.	S	Bend	trans	-69.1	-29.4	177	-20.3	33.8	0	0	0	112.8	M557 A564 R568 F569 F601 K606	M557-P608 HydrophobicContact CE-CB 3.86Å; M557-P608 HydrophobicContact CE-CG 4.22Å; M557-P608 HydrophobicContact SD-CB 4.41Å; M557-P608 HydrophobicContact SD-CG 4.12Å; A564-P608 HydrophobicContact CB-CG 4.5Å; A564-P608 WeakPolarHBondContact O-CG 3.42Å; R568-P608 WeakPolarHBondContact CA-O 3.35Å; F569-P608 HydrophobicContact CD2-CB 4.18Å; F569-P608 PolarHBondContact N-O 3.19Å; F601-P608 HydrophobicContact CE1-CG 4.15Å; F601-P608 HydrophobicContact CE2-CG 4.47Å; F601-P608 HydrophobicContact CZ-CG 3.88Å; K606-P608 WeakPolarHBondContact O-CD 3.39Å
609	L	96.5	Very high	91.1	Very high	4 Å²	4	73.4 Å²	73.4	2%	0.021	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.2	-175.1	174.9	65.3	0	0	0	112.4	L550 L553 M557 F569 Q571 A594 I597 C607 M611	L550-L609 HydrophobicContact CD2-CD1 4.33Å; L550-L609 HydrophobicContact CD2-CD2 3.87Å; L553-L609 HydrophobicContact CD1-CD1 4.35Å; M557-L609 HydrophobicContact CE-CB 4.08Å; F569-L609 HydrophobicContact CB-CD1 4.28Å; F569-L609 CarbonylContact O-C 3.55Å; Q571-L609 HydrophobicContact CB-CD1 4.46Å; A594-L609 HydrophobicContact CB-CD2 4.42Å; I597-L609 HydrophobicContact CB-CD2 4.14Å; I597-L609 HydrophobicContact CD1-CD2 3.94Å; I597-L609 HydrophobicContact CG2-CB 4.14Å; I597-L609 HydrophobicContact CG2-CD2 3.96Å; C607-L609 VanDerWaalsContact C-N 3.31Å; C607-L609 PolarHBondContact O-N 2.97Å; L609-M611 HydrophobicContact CD1-CG 4.3Å; L609-M611 HydrophobicContact CD1-SD 4Å; L609-M611 HydrophobicContact CD2-CG 4.11Å; L609-M611 HydrophobicContact CD2-SD 4.3Å; L609-M611 HydrophobicContact CG-CG 4.1Å; L609-M611 HydrophobicContact CG-SD 4.38Å
610	I	95.8	Very high	91.1	Very high	39 Å²	39	72.1 Å²	72.1	20%	0.2	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.3	171.1	-53	174.9	0	0	0	108.2	I525 F569 I570 Q571 I612	I525-I610 HydrophobicContact CG1-CD1 4.44Å; I525-I610 HydrophobicContact CG2-CD1 3.88Å; F569-I610 PolarHBondContact O-N 3.41Å; I570-I610 WeakPolarHBondContact CA-O 3.33Å; I570-I610 HydrophobicContact CG1-CB 4.43Å; I570-I610 HydrophobicContact CG1-CD1 4.23Å; Q571-I610 PolarHBondContact N-O 3.17Å; I610-I612 HydrophobicContact CG2-CD1 4.39Å; I610-I612 HydrophobicContact CG2-CG1 4.1Å
611	M	95.7	Very high	91.3	Very high	32 Å²	32	67.5 Å²	67.5	16%	0.158	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.5	174.5	-70.6	-65.3	-60	0	0	110.2	L550 Q571 A573 A594 L609	L550-M611 HydrophobicContact CD2-SD 3.97Å; Q571-M611 HydrophobicContact CB-CE 4.31Å; Q571-M611 HydrophobicContact CB-SD 3.53Å; Q571-M611 VanDerWaalsContact CB-SD 3.53Å; Q571-M611 HydrophobicContact CG-CE 3.84Å; Q571-M611 HydrophobicContact CG-SD 3.68Å; A573-M611 HydrophobicContact CB-CE 4.36Å; A594-M611 HydrophobicContact CB-CE 4.48Å; A594-M611 HydrophobicContact CB-CG 3.73Å; A594-M611 HydrophobicContact CB-SD 4.24Å; L609-M611 HydrophobicContact CD1-CG 4.3Å; L609-M611 HydrophobicContact CD1-SD 4Å; L609-M611 HydrophobicContact CD2-CG 4.11Å; L609-M611 HydrophobicContact CD2-SD 4.3Å; L609-M611 HydrophobicContact CG-CG 4.1Å; L609-M611 HydrophobicContact CG-SD 4.38Å
612	I	96	Very high	91.6	Very high	30 Å²	30	64.6 Å²	64.6	15%	0.154	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	105.4	177.4	-56	176.9	0	0	0	108.9	I570 Q571 V572 A573 I610 L616	I570-I612 HydrophobicContact CG2-CD1 4Å; Q571-I612 PolarHBondContact O-N 3.41Å; V572-I612 CarbonylContact C-O 3.55Å; V572-I612 WeakPolarHBondContact CA-O 3.42Å; V572-I612 HydrophobicContact CG1-CB 4.45Å; V572-I612 HydrophobicContact CG1-CG2 4.41Å; V572-I612 HydrophobicContact CG2-CB 4.27Å; V572-I612 HydrophobicContact CG2-CD1 4.28Å; A573-I612 PolarHBondContact N-O 3.36Å; I610-I612 HydrophobicContact CG2-CD1 4.39Å; I610-I612 HydrophobicContact CG2-CG1 4.1Å; I612-L616 HydrophobicContact CD1-CD1 4.43Å; I612-L616 HydrophobicContact CD1-CD2 4.28Å; I612-L616 HydrophobicContact CG2-CD2 4.21Å; I612-L616 HydrophobicContact CG2-CG 4.45Å
613	T	93.8	Very high	92.1	Very high	55 Å²	55	57 Å²	57	34%	0.337	29%	0.294	S	S	.	.			trans	-95.5	-16.5	-176.7	53.9	0	0	0	0	114.3	A573 I575 L591 G615	A573-T613 WeakPolarHBondContact O-CA 3.41Å; I575-T613 HydrophobicContact CD1-CG2 4.42Å; L591-T613 HydrophobicContact CD2-CG2 4Å; T613-G615 VanDerWaalsContact C-N 3.28Å; T613-G615 PolarHBondContact O-N 3.41Å
614	S	88.6	Confident	92.7	Very high	104 Å²	104	54.6 Å²	54.6	73%	0.727	28%	0.278	S	S	*	.	S	Bend	trans	-74.7	-16.2	177.9	57.2	0	0	0	0	113.7
615	G	88	Confident	93.4	Very high	12 Å²	12	46.3 Å²	46.3	12%	0.124	24%	0.24	C	C	.	.			trans	76.6	172	-166.4	0	0	0	0	0	112.9	T613	T613-G615 VanDerWaalsContact C-N 3.28Å; T613-G615 PolarHBondContact O-N 3.41Å
616	L	91.5	Very high	94	Very high	42 Å²	42	40.8 Å²	40.8	22%	0.22	22%	0.215	C	C	.	.			trans	-122.4	138.3	178.5	-65.6	177.6	0	0	0	110	V572 I612 V620 L621	V572-L616 HydrophobicContact CG1-CG 4.4Å; V572-L616 HydrophobicContact CG2-CD1 3.78Å; V572-L616 HydrophobicContact CG2-CG 4.23Å; I612-L616 HydrophobicContact CD1-CD1 4.43Å; I612-L616 HydrophobicContact CD1-CD2 4.28Å; I612-L616 HydrophobicContact CG2-CD2 4.21Å; I612-L616 HydrophobicContact CG2-CG 4.45Å; L616-V620 HydrophobicContact CB-CG1 4.49Å; L616-V620 HydrophobicContact CD1-CG1 4.48Å; L616-V620 HydrophobicContact CD2-CG1 4.12Å; L616-L621 HydrophobicContact CB-CB 4.19Å; L616-L621 HydrophobicContact CD1-CD1 4.35Å
617	P	90.8	Very high	94.5	Very high	91 Å²	91	36 Å²	36	59%	0.591	20%	0.195	S	C	*	.			trans	-57.2	148.5	168.4	-22.3	33	0	0	0	111.2	R619 V620 L621	P617-R619 PolarHBondContact O-N 3.1Å; P617-V620 HydrophobicContact CB-CG2 4.29Å; P617-V620 HydrophobicContact CG-CG2 4.33Å; P617-V620 WeakPolarHBondContact O-CA 3.37Å; P617-V620 WeakPolarHBondContact O-CB 3.48Å; P617-V620 PolarHBondContact O-N 3.27Å; P617-L621 PolarHBondContact O-N 2.88Å
618	R	90.4	Very high	94.7	Very high	114 Å²	114	36.1 Å²	36.1	43%	0.43	20%	0.195	S	C	.	.	H	α-helix	trans	-53.2	-44.8	-173.1	-176.5	176.6	-75.6	162.5	-5.5	113.9	L508 V620 L621 V622	L508-R618 HydrophobicContact CD1-CG 4.03Å; R618-V620 VanDerWaalsContact C-N 3.32Å; R618-V620 PolarHBondContact O-N 2.92Å; R618-L621 PolarHBondContact O-N 3.31Å; R618-V622 WeakPolarHBondContact O-CG2 3.46Å; R618-V622 PolarHBondContact O-N 2.87Å
619	R	94.4	Very high	94.9	Very high	93 Å²	93	37.3 Å²	37.3	35%	0.351	20%	0.201	S	C	.	.	H	α-helix	trans	-59.3	-44	178	-61.2	-175.1	82.4	-160.6	6.3	111.5	L508 D511 E513 I514 P617 V622 A623	L508-R619 HydrophobicContact CD2-CG 4.47Å; D511-R619 IonicContact OD2-NH2 3.51Å; D511-R619 PolarHBondContact OD2-NH2 2.79Å; D511-R619 VanDerWaalsContact OD2-NH2 3.11Å; E513-R619 IonicContact OE1-CZ 3.06Å; E513-R619 IonicContact OE1-NH1 3.39Å; E513-R619 PolarHBondContact OE1-NH1 3.28Å; E513-R619 IonicContact OE1-NH2 3.52Å; E513-R619 IonicContact OE2-CZ 3.65Å; E513-R619 IonicContact OE2-NH1 2.65Å; E513-R619 PolarHBondContact OE2-NH1 3.46Å; E513-R619 IonicContact OE2-NH2 3.11Å; E513-R619 PolarHBondContact OE2-NH2 3.46Å; I514-R619 HydrophobicContact CD1-CB 4.22Å; I514-R619 HydrophobicContact CD1-CG 4.31Å; P617-R619 PolarHBondContact O-N 3.1Å; R619-V622 PolarHBondContact O-N 2.99Å; R619-A623 PolarHBondContact O-N 2.98Å; R619-A623 VanDerWaalsContact O-N 3.08Å
620	V	95.8	Very high	95	Very high	40 Å²	40	37.1 Å²	37.1	24%	0.242	20%	0.2	C	C	.	.	H	α-helix	trans	-67.7	-41.6	177.9	-177.6	0	0	0	0	110.6	M517 L616 P617 R618 V622 A623 H624	M517-V620 HydrophobicContact SD-CG2 4.15Å; L616-V620 HydrophobicContact CB-CG1 4.49Å; L616-V620 HydrophobicContact CD1-CG1 4.48Å; L616-V620 HydrophobicContact CD2-CG1 4.12Å; P617-V620 HydrophobicContact CB-CG2 4.29Å; P617-V620 HydrophobicContact CG-CG2 4.33Å; P617-V620 WeakPolarHBondContact O-CA 3.37Å; P617-V620 WeakPolarHBondContact O-CB 3.48Å; P617-V620 PolarHBondContact O-N 3.27Å; R618-V620 VanDerWaalsContact C-N 3.32Å; R618-V620 PolarHBondContact O-N 2.92Å; V620-V622 PolarHBondContact O-N 2.89Å; V620-A623 WeakPolarHBondContact O-CB 3.21Å; V620-A623 PolarHBondContact O-N 3.43Å; V620-H624 PolarHBondContact O-N 3.24Å; V620-H624 PolarHBondContact O-ND1 2.89Å
621	L	95.5	Very high	95.1	Very high	29 Å²	29	35.2 Å²	35.2	15%	0.152	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-42.2	176.9	-177.5	60.8	0	0	0	112	A537 L616 P617 R618 A623 H624 Y625	A537-L621 HydrophobicContact CB-CD1 3.82Å; L616-L621 HydrophobicContact CB-CB 4.19Å; L616-L621 HydrophobicContact CD1-CD1 4.35Å; P617-L621 PolarHBondContact O-N 2.88Å; R618-L621 PolarHBondContact O-N 3.31Å; L621-A623 VanDerWaalsContact C-N 3.34Å; L621-A623 PolarHBondContact O-N 3.45Å; L621-H624 WeakPolarHBondContact O-CB 3.43Å; L621-H624 PolarHBondContact O-N 2.83Å; L621-H624 VanDerWaalsContact O-N 3.11Å; L621-Y625 HydrophobicContact CD1-CD1 4.47Å; L621-Y625 HydrophobicContact CD1-CE1 3.76Å; L621-Y625 HydrophobicContact CD2-CE2 4.33Å; L621-Y625 WeakPolarHBondContact CD2-OH 3.29Å; L621-Y625 HydrophobicContact CG-CE1 3.95Å; L621-Y625 HydrophobicContact CG-CE2 3.95Å; L621-Y625 PolarHBondContact O-N 3.21Å
622	V	96.5	Very high	95.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-38.7	174.5	173.8	0	0	0	0	111.4	F505 L508 I514 R618 R619 V620 H624 Y625 L626	F505-V622 HydrophobicContact CD1-CG2 4.15Å; L508-V622 HydrophobicContact CB-CB 4.43Å; L508-V622 HydrophobicContact CB-CG1 3.98Å; L508-V622 HydrophobicContact CB-CG2 4.3Å; L508-V622 HydrophobicContact CD1-CG2 3.92Å; I514-V622 HydrophobicContact CG2-CB 4.48Å; I514-V622 HydrophobicContact CG2-CG1 4.04Å; R618-V622 WeakPolarHBondContact O-CG2 3.46Å; R618-V622 PolarHBondContact O-N 2.87Å; R619-V622 PolarHBondContact O-N 2.99Å; V620-V622 PolarHBondContact O-N 2.89Å; V622-H624 PolarHBondContact O-N 2.63Å; V622-Y625 HydrophobicContact CG2-CD2 4.33Å; V622-Y625 WeakPolarHBondContact O-CB 3.45Å; V622-Y625 PolarHBondContact O-N 3.01Å; V622-Y625 VanDerWaalsContact O-N 3.12Å; V622-L626 HydrophobicContact CG1-CD1 4.48Å; V622-L626 PolarHBondContact O-N 3.48Å
623	A	97.9	Very high	95.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-36.5	172.5	0	0	0	0	0	111.9	I514 M517 A518 R619 V620 L621 L626 A627	I514-A623 HydrophobicContact CG2-CB 4.25Å; M517-A623 HydrophobicContact CB-CB 4.18Å; M517-A623 HydrophobicContact CG-CB 3.88Å; M517-A623 HydrophobicContact SD-CB 3.95Å; A518-A623 HydrophobicContact CB-CB 4.18Å; A518-A623 WeakPolarHBondContact CB-O 3.48Å; R619-A623 PolarHBondContact O-N 2.98Å; R619-A623 VanDerWaalsContact O-N 3.08Å; V620-A623 WeakPolarHBondContact O-CB 3.21Å; V620-A623 PolarHBondContact O-N 3.43Å; L621-A623 VanDerWaalsContact C-N 3.34Å; L621-A623 PolarHBondContact O-N 3.45Å; A623-L626 PolarHBondContact O-N 3.5Å; A623-A627 WeakPolarHBondContact O-CB 3.12Å; A623-A627 PolarHBondContact O-N 3.28Å
624	H	98	Very high	95.4	Very high	15 Å²	15	30 Å²	30	7%	0.069	16%	0.161	C	C	.	.	H	α-helix	trans	-69.4	-39.4	173.4	-70.5	64.7	0	0	0	112.3	L535 V620 L621 V622 L626 A627 M628	L535-H624 HydrophobicContact CD1-CB 4.42Å; L535-H624 HydrophobicContact CD2-CB 3.78Å; L535-H624 WeakPolarHBondContact CD2-O 3.36Å; V620-H624 PolarHBondContact O-N 3.24Å; V620-H624 PolarHBondContact O-ND1 2.89Å; L621-H624 WeakPolarHBondContact O-CB 3.43Å; L621-H624 PolarHBondContact O-N 2.83Å; L621-H624 VanDerWaalsContact O-N 3.11Å; V622-H624 PolarHBondContact O-N 2.63Å; H624-L626 VanDerWaalsContact C-N 3.3Å; H624-L626 PolarHBondContact O-N 2.76Å; H624-A627 PolarHBondContact O-N 3.39Å; H624-M628 PolarHBondContact O-N 3.13Å
625	Y	97.9	Very high	95.8	Very high	1 Å²	1	25 Å²	25	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-40	173.2	-61.8	-25.9	0	0	0	112	F505 L535 L621 V622 M628 E646 M647 C650 N651	F505-Y625 HydrophobicContact CE1-CE2 4.49Å; L535-Y625 HydrophobicContact CD2-CD1 3.62Å; L535-Y625 HydrophobicContact CD2-CE1 4.16Å; L621-Y625 HydrophobicContact CD1-CD1 4.47Å; L621-Y625 HydrophobicContact CD1-CE1 3.76Å; L621-Y625 HydrophobicContact CD2-CE2 4.33Å; L621-Y625 WeakPolarHBondContact CD2-OH 3.29Å; L621-Y625 HydrophobicContact CG-CE1 3.95Å; L621-Y625 HydrophobicContact CG-CE2 3.95Å; L621-Y625 PolarHBondContact O-N 3.21Å; V622-Y625 HydrophobicContact CG2-CD2 4.33Å; V622-Y625 WeakPolarHBondContact O-CB 3.45Å; V622-Y625 PolarHBondContact O-N 3.01Å; V622-Y625 VanDerWaalsContact O-N 3.12Å; Y625-M628 WeakPolarHBondContact O-CG 3.47Å; Y625-E646 HydrophobicContact CD2-CB 4.36Å; Y625-E646 HydrophobicContact CE2-CB 3.63Å; Y625-E646 PolarHBondContact OH-OE2 2.68Å; Y625-M647 HydrophobicContact CD1-CE 4.44Å; Y625-M647 HydrophobicContact CD1-CG 3.7Å; Y625-M647 HydrophobicContact CE1-CE 4.05Å; Y625-M647 HydrophobicContact CE1-CG 3.73Å; Y625-M647 HydrophobicContact CG-CG 4.35Å; Y625-C650 HydrophobicContact CD2-CB 4.44Å; Y625-N651 WeakPolarHBondContact O-CB 3.28Å; Y625-N651 PolarHBondContact O-ND2 2.91Å
626	L	97.6	Very high	96.1	Very high	44 Å²	44	25.9 Å²	25.9	23%	0.23	13%	0.131	C	C	.	.	H	α-helix	trans	-67.8	-36.9	174.9	-75.9	172.9	0	0	0	112.8	T509 I514 Q515 A518 V622 A623 H624 N651	T509-L626 HydrophobicContact CG2-CD2 4.02Å; I514-L626 HydrophobicContact CG2-CD1 3.97Å; Q515-L626 HydrophobicContact CG-CD1 4.38Å; A518-L626 HydrophobicContact CB-CB 3.6Å; A518-L626 HydrophobicContact CB-CD1 4.1Å; V622-L626 HydrophobicContact CG1-CD1 4.48Å; V622-L626 PolarHBondContact O-N 3.48Å; A623-L626 PolarHBondContact O-N 3.5Å; H624-L626 VanDerWaalsContact C-N 3.3Å; H624-L626 PolarHBondContact O-N 2.76Å; L626-N651 PolarHBondContact O-ND2 2.96Å
627	A	97.3	Very high	96	Very high	5 Å²	5	24.3 Å²	24.3	4%	0.041	12%	0.124	C	C	.	.	H	α-helix	trans	-76.3	-26.9	-178.2	0	0	0	0	0	113.9	V521 R522 L533 A623 H624	V521-A627 HydrophobicContact CG1-CB 4.46Å; R522-A627 HydrophobicContact CB-CB 4.01Å; R522-A627 PolarHBondContact NH1-O 3.19Å; L533-A627 HydrophobicContact CD2-CB 4.15Å; A623-A627 WeakPolarHBondContact O-CB 3.12Å; A623-A627 PolarHBondContact O-N 3.28Å; H624-A627 PolarHBondContact O-N 3.39Å
628	M	97.4	Very high	96	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.03	10%	0.1	C	C	.	.			trans	-68.9	150.3	-173.7	82	-168.7	170.4	0	0	113	L535 H624 Y625 M647 N651 A654	L535-M628 HydrophobicContact CB-CB 3.76Å; L535-M628 HydrophobicContact CB-CG 4.44Å; L535-M628 HydrophobicContact CB-SD 3.95Å; L535-M628 HydrophobicContact CD2-CB 4.19Å; L535-M628 HydrophobicContact CD2-SD 3.8Å; L535-M628 HydrophobicContact CG-SD 4.38Å; H624-M628 PolarHBondContact O-N 3.13Å; Y625-M628 WeakPolarHBondContact O-CG 3.47Å; M628-M647 HydrophobicContact CE-CB 3.48Å; M628-M647 VanDerWaalsContact CE-CB 3.48Å; M628-M647 HydrophobicContact CE-CG 3.69Å; M628-M647 HydrophobicContact CE-SD 4.38Å; M628-M647 HydrophobicContact SD-CB 4.46Å; M628-M647 HydrophobicContact SD-CE 4.45Å; M628-M647 HydrophobicContact SD-CG 4.03Å; M628-M647 HydrophobicContact SD-SD 4.27Å; M628-N651 HydrophobicContact CE-CB 4.32Å; M628-N651 PolarHBondContact O-ND2 3.37Å; M628-A654 HydrophobicContact CE-CB 3.64Å; M628-A654 HydrophobicContact CG-CB 4.15Å
629	D	97.7	Very high	96	Very high	26 Å²	26	15.3 Å²	15.3	14%	0.139	8%	0.08	C	C	.	.	S	Bend	trans	-94.9	-30.5	167.8	-67.9	-81.5	0	0	0	111.7	R522 K532 L533 A654 R655	R522-D629 IonicContact CZ-OD2 3.96Å; R522-D629 IonicContact NH1-OD1 3.83Å; R522-D629 IonicContact NH1-OD2 3.07Å; R522-D629 PolarHBondContact NH1-OD2 3.35Å; R522-D629 IonicContact NH2-OD1 2.68Å; R522-D629 IonicContact NH2-OD2 3.92Å; R522-D629 PolarHBondContact NH2-OD2 3.47Å; R522-D629 VanDerWaalsContact NH2-OD2 3.11Å; K532-D629 HydrophobicContact CB-CB 4.07Å; K532-D629 HydrophobicContact CD-CB 3.94Å; K532-D629 HydrophobicContact CG-CB 4.5Å; L533-D629 PolarHBondContact N-OD2 3Å; L533-D629 PolarHBondContact O-N 3.27Å; D629-A654 WeakPolarHBondContact O-CA 3.32Å; D629-R655 PolarHBondContact O-N 3.05Å
630	I	98.3	Very high	96	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	120.8	-171.9	-54.2	169.2	0	0	0	109.9	K532 L533 F534 L535 L632 R655 V657 A701	K532-I630 HydrophobicContact CB-CD1 4.06Å; K532-I630 HydrophobicContact CG-CD1 4.37Å; L533-I630 PolarHBondContact O-N 3.48Å; L533-I630 VanDerWaalsContact O-N 3.1Å; F534-I630 CarbonylContact C-O 3.5Å; F534-I630 WeakPolarHBondContact CA-O 3.26Å; F534-I630 HydrophobicContact CD1-CB 3.69Å; F534-I630 HydrophobicContact CD1-CD1 3.83Å; F534-I630 HydrophobicContact CD1-CG1 4.33Å; F534-I630 HydrophobicContact CD1-CG2 3.63Å; F534-I630 HydrophobicContact CD2-CD1 4.27Å; F534-I630 HydrophobicContact CE1-CB 4.04Å; F534-I630 HydrophobicContact CE1-CD1 3.33Å; F534-I630 HydrophobicContact CE1-CG1 4.25Å; F534-I630 HydrophobicContact CE1-CG2 3.82Å; F534-I630 HydrophobicContact CE2-CD1 3.81Å; F534-I630 HydrophobicContact CG-CB 4.17Å; F534-I630 HydrophobicContact CG-CD1 4.29Å; F534-I630 HydrophobicContact CZ-CD1 3.34Å; L535-I630 PolarHBondContact N-O 2.92Å; I630-L632 HydrophobicContact CG2-CD2 4.03Å; I630-R655 CarbonylContact C-O 3.44Å; I630-R655 WeakPolarHBondContact CA-O 3.46Å; I630-R655 HydrophobicContact CG1-CB 4.19Å; I630-R655 HydrophobicContact CG2-CB 4.39Å; I630-V657 HydrophobicContact CG2-CG2 3.91Å; I630-A701 HydrophobicContact CD1-CB 4.06Å; I630-A701 WeakPolarHBondContact CD1-O 3.29Å; I630-A701 HydrophobicContact CG2-CB 4.14Å
631	G	98	Very high	95.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.2	170.5	0	0	0	0	0	111.6	L535 R655 V657	L535-G631 WeakPolarHBondContact O-CA 3.37Å; G631-R655 PolarHBondContact N-O 3.43Å; G631-V657 PolarHBondContact O-N 3.18Å
632	L	97.9	Very high	95.7	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.021	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	111.7	179.6	-62.5	-177.5	0	0	0	110.8	F534 L535 S536 I630 V657 L698	F534-L632 HydrophobicContact CB-CD1 4.09Å; F534-L632 HydrophobicContact CB-CG 4.48Å; F534-L632 HydrophobicContact CD1-CD1 3.89Å; F534-L632 HydrophobicContact CD1-CD2 3.96Å; F534-L632 HydrophobicContact CD1-CG 4.03Å; F534-L632 HydrophobicContact CE1-CD2 4.48Å; F534-L632 HydrophobicContact CG-CD1 4.44Å; L535-L632 PolarHBondContact O-N 3.12Å; S536-L632 WeakPolarHBondContact CB-O 3.28Å; S536-L632 PolarHBondContact OG-O 3.45Å; I630-L632 HydrophobicContact CG2-CD2 4.03Å; L632-V657 HydrophobicContact CD2-CB 3.59Å; L632-V657 HydrophobicContact CD2-CG1 4.25Å; L632-V657 HydrophobicContact CD2-CG2 3.6Å; L632-L698 HydrophobicContact CD1-CD2 4.16Å; L632-L698 HydrophobicContact CD2-CD2 3.62Å
633	V	97.5	Very high	95.6	Very high	2 Å²	2	11 Å²	11	1%	0.012	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	89.8	176	179.8	0	0	0	0	109.1	N641 V643 A644 M647 V657 L658 S659 T662	V633-N641 HydrophobicContact CG1-CB 3.93Å; V633-N641 VanDerWaalsContact CG1-ND2 3.34Å; V633-N641 WeakPolarHBondContact CG1-ND2 3.21Å; V633-N641 VanDerWaalsContact CG1-OD1 3.24Å; V633-N641 WeakPolarHBondContact CG1-OD1 3.38Å; V633-V643 HydrophobicContact CG2-CG1 4.38Å; V633-A644 HydrophobicContact CB-CB 4.17Å; V633-A644 HydrophobicContact CG1-CB 4.25Å; V633-A644 HydrophobicContact CG2-CB 3.88Å; V633-M647 HydrophobicContact CG2-SD 4.06Å; V633-V657 PolarHBondContact N-O 3.18Å; V633-L658 HydrophobicContact CB-CD2 3.79Å; V633-L658 HydrophobicContact CG1-CD2 4.28Å; V633-L658 VanDerWaalsContact O-CA 3.32Å; V633-L658 WeakPolarHBondContact O-CA 3.49Å; V633-S659 PolarHBondContact O-N 2.99Å; V633-T662 HydrophobicContact CG1-CG2 3.74Å; V633-T662 PolarHBondContact O-OG1 3.04Å
634	T	97.1	Very high	95.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.			trans	-121.4	54	-171.3	53.3	0	0	0	0	112	R549 V657 S659 V685 Y694	R549-T634 PolarHBondContact NE-OG1 3.21Å; R549-T634 VanDerWaalsContact NE-OG1 3.08Å; R549-T634 PolarHBondContact NH2-OG1 2.95Å; T634-V657 HydrophobicContact CG2-CG1 4.21Å; T634-S659 WeakPolarHBondContact CA-OG 3.39Å; T634-V685 HydrophobicContact CG2-CG2 4.12Å; T634-Y694 VanDerWaalsContact CB-OH 3.23Å; T634-Y694 WeakPolarHBondContact CB-OH 3.37Å; T634-Y694 HydrophobicContact CG2-CE2 3.93Å; T634-Y694 WeakPolarHBondContact CG2-OH 3.44Å; T634-Y694 PolarHBondContact OG1-OH 2.86Å
635	S	96.2	Very high	95.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.06	C	C	.	.			trans	-58.6	142	178.7	-62.6	0	0	0	0	111.6	T543 S659 T662	T543-S635 CarbonylContact O-C 3.3Å; T543-S635 WeakPolarHBondContact O-CA 3.28Å; T543-S635 WeakPolarHBondContact O-CB 3.24Å; S635-S659 PolarHBondContact N-OG 2.85Å; S635-S659 VanDerWaalsContact N-OG 3.16Å; S635-S659 PolarHBondContact O-OG 3.48Å; S635-T662 PolarHBondContact N-OG1 3.16Å
636	S	93.7	Very high	95.2	Very high	30 Å²	30	11.8 Å²	11.8	21%	0.21	7%	0.066	C	C	.	.	S	Bend	trans	-67.9	-42.3	172.7	51.6	0	0	0	0	110.5	Y542 T543 G661	Y542-S636 PolarHBondContact O-OG 3.5Å; Y542-S636 VanDerWaalsContact O-OG 3.11Å; T543-S636 VanDerWaalsContact CA-OG 3.26Å; T543-S636 WeakPolarHBondContact CA-OG 3.45Å; T543-S636 PolarHBondContact O-N 3.48Å; T543-S636 PolarHBondContact O-OG 2.98Å; S636-G661 WeakPolarHBondContact O-CA 3.21Å
637	A	89.8	Confident	95.2	Very high	9 Å²	9	9.7 Å²	9.7	7%	0.074	6%	0.055	C	C	.	.	S	Bend	trans	-151.8	130.1	170.9	0	0	0	0	0	109	H347 P421 T543 G661	H347-A637 HydrophobicContact CB-CB 3.94Å; H347-A637 PolarHBondContact CD2-O 3.1Å; H347-A637 VanDerWaalsContact CD2-O 3.3Å; H347-A637 VanDerWaalsContact O-CB 3.28Å; H347-A637 WeakPolarHBondContact O-CB 3.49Å; P421-A637 HydrophobicContact CG-CB 4.33Å; T543-A637 PolarHBondContact O-N 3.36Å; A637-G661 CarbonylContact C-O 3.34Å; A637-G661 WeakPolarHBondContact CA-O 3.49Å
638	D	91.2	Very high	95.1	Very high	17 Å²	17	9.5 Å²	9.5	9%	0.091	5%	0.054	C	C	.	.			trans	-145.8	135.8	177.3	-153.1	2.4	0	0	0	109.9	P421 K544 N641 G661 G663	P421-D638 VanDerWaalsContact CG-C 3.44Å; K544-D638 IonicContact NZ-OD1 3.88Å; K544-D638 PolarHBondContact NZ-OD1 3.21Å; K544-D638 IonicContact NZ-OD2 2.68Å; K544-D638 PolarHBondContact NZ-OD2 3.21Å; D638-N641 WeakPolarHBondContact OD2-CA 3.41Å; D638-N641 VanDerWaalsContact OD2-CB 3.25Å; D638-N641 WeakPolarHBondContact OD2-CB 3.45Å; D638-N641 PolarHBondContact OD2-ND2 3.45Å; D638-G661 PolarHBondContact N-O 3.23Å; D638-G663 WeakPolarHBondContact O-CA 3.24Å; D638-G663 PolarHBondContact O-N 3.41Å
639	G	90.6	Very high	95	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-69.7	-52.1	179.3	0	0	0	0	0	109.3	P421 Q452 G663	P421-G639 VanDerWaalsContact CD-N 3.31Å; Q452-G639 WeakPolarHBondContact CB-O 3.33Å; G639-G663 WeakPolarHBondContact O-CA 3.42Å
640	M	93.8	Very high	94.9	Very high	14 Å²	14	8.1 Å²	8.1	7%	0.069	5%	0.047	C	C	.	.			trans	-150.5	126.6	167.9	-175.8	55.9	53.7	0	0	110.2	Q452 P497 V498 L642 F664 Q667	Q452-M640 HydrophobicContact CB-CB 4.18Å; Q452-M640 HydrophobicContact CB-CE 4.33Å; Q452-M640 HydrophobicContact CG-CB 3.97Å; P497-M640 HydrophobicContact CB-CE 3.73Å; V498-M640 HydrophobicContact CG1-CB 3.71Å; V498-M640 HydrophobicContact CG1-CG 3.64Å; V498-M640 WeakPolarHBondContact O-CG 3.35Å; M640-L642 HydrophobicContact CG-CD2 4.3Å; M640-F664 HydrophobicContact SD-CB 3.86Å; M640-F664 HydrophobicContact SD-CD2 4.43Å; M640-Q667 HydrophobicContact CE-CB 4.37Å
641	N	92.7	Very high	94.9	Very high	5 Å²	5	8.9 Å²	8.9	3%	0.027	5%	0.051	C	C	.	.			trans	-91.7	115	175.3	-167	-81.9	0	0	0	110.6	V633 D638 V643 A644 T662	V633-N641 HydrophobicContact CG1-CB 3.93Å; V633-N641 VanDerWaalsContact CG1-ND2 3.34Å; V633-N641 WeakPolarHBondContact CG1-ND2 3.21Å; V633-N641 VanDerWaalsContact CG1-OD1 3.24Å; V633-N641 WeakPolarHBondContact CG1-OD1 3.38Å; D638-N641 WeakPolarHBondContact OD2-CA 3.41Å; D638-N641 VanDerWaalsContact OD2-CB 3.25Å; D638-N641 WeakPolarHBondContact OD2-CB 3.45Å; D638-N641 PolarHBondContact OD2-ND2 3.45Å; N641-V643 WeakPolarHBondContact OD1-CB 3.31Å; N641-V643 PolarHBondContact OD1-N 3.4Å; N641-V643 VanDerWaalsContact OD1-N 3.09Å; N641-A644 PolarHBondContact OD1-N 3.41Å; N641-T662 HydrophobicContact CB-CG2 3.52Å
642	L	92.4	Very high	94.7	Very high	26 Å²	26	10 Å²	10	14%	0.136	6%	0.058	C	C	.	.	S	Bend	trans	-81	-31.7	177.8	-64.2	-176.7	0	0	0	112.5	V498 V500 M640 A644 K645 E646	V498-L642 HydrophobicContact CG1-CD2 4.01Å; V500-L642 HydrophobicContact CG1-CB 4.03Å; V500-L642 HydrophobicContact CG1-CD2 4.11Å; V500-L642 HydrophobicContact CG1-CG 4.47Å; M640-L642 HydrophobicContact CG-CD2 4.3Å; L642-A644 VanDerWaalsContact C-N 3.31Å; L642-A644 PolarHBondContact O-N 3.22Å; L642-K645 HydrophobicContact CD2-CD 4.42Å; L642-K645 WeakPolarHBondContact O-CA 3.37Å; L642-K645 VanDerWaalsContact O-CB 3.3Å; L642-K645 WeakPolarHBondContact O-CB 3.37Å; L642-K645 PolarHBondContact O-N 3.14Å; L642-E646 WeakPolarHBondContact O-CG 3.27Å; L642-E646 PolarHBondContact O-N 3.21Å
643	V	93.8	Very high	94.6	Very high	26 Å²	26	16.8 Å²	16.8	16%	0.158	9%	0.087	C	C	.	.	H	α-helix	trans	-58.7	-42.5	-176.7	174.9	0	0	0	0	111.5	A537 V633 N641 K645 E646 M647	A537-V643 HydrophobicContact CB-CG1 4.44Å; A537-V643 WeakPolarHBondContact O-CG1 3.32Å; A537-V643 WeakPolarHBondContact O-CG2 3.42Å; V633-V643 HydrophobicContact CG2-CG1 4.38Å; N641-V643 WeakPolarHBondContact OD1-CB 3.31Å; N641-V643 PolarHBondContact OD1-N 3.4Å; N641-V643 VanDerWaalsContact OD1-N 3.09Å; V643-K645 PolarHBondContact O-N 3.29Å; V643-E646 WeakPolarHBondContact O-CB 3.3Å; V643-E646 PolarHBondContact O-N 3.49Å; V643-M647 HydrophobicContact CG1-CE 3.68Å; V643-M647 HydrophobicContact CG1-CG 4.31Å; V643-M647 HydrophobicContact CG1-SD 4.11Å; V643-M647 WeakPolarHBondContact O-CB 3.45Å; V643-M647 VanDerWaalsContact O-CG 3.29Å; V643-M647 WeakPolarHBondContact O-CG 3.38Å; V643-M647 PolarHBondContact O-N 2.96Å
644	A	95.3	Very high	94.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.4	-35.2	175.3	0	0	0	0	0	112.7	V633 N641 L642 L648 L656 L658 F664	V633-A644 HydrophobicContact CB-CB 4.17Å; V633-A644 HydrophobicContact CG1-CB 4.25Å; V633-A644 HydrophobicContact CG2-CB 3.88Å; N641-A644 PolarHBondContact OD1-N 3.41Å; L642-A644 VanDerWaalsContact C-N 3.31Å; L642-A644 PolarHBondContact O-N 3.22Å; A644-L648 PolarHBondContact O-N 3.41Å; A644-L656 HydrophobicContact CB-CD1 4.25Å; A644-L656 HydrophobicContact CB-CD2 4.3Å; A644-L658 HydrophobicContact CB-CD2 4.11Å; A644-F664 HydrophobicContact CB-CD1 3.55Å; A644-F664 HydrophobicContact CB-CE1 4.12Å
645	K	95.1	Very high	94.5	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-71.3	-45	175.4	-59.5	-176.1	175.5	-171.2	0	110.9	V498 V500 L642 V643 M647 L648 L649 F664 I720	V498-K645 PolarHBondContact O-NZ 3.33Å; V500-K645 HydrophobicContact CG1-CB 4.49Å; V500-K645 HydrophobicContact CG2-CB 4.4Å; L642-K645 HydrophobicContact CD2-CD 4.42Å; L642-K645 WeakPolarHBondContact O-CA 3.37Å; L642-K645 VanDerWaalsContact O-CB 3.3Å; L642-K645 WeakPolarHBondContact O-CB 3.37Å; L642-K645 PolarHBondContact O-N 3.14Å; V643-K645 PolarHBondContact O-N 3.29Å; K645-M647 VanDerWaalsContact C-N 3.33Å; K645-M647 PolarHBondContact O-N 2.81Å; K645-L648 PolarHBondContact O-N 2.88Å; K645-L649 WeakPolarHBondContact O-CB 3.44Å; K645-L649 PolarHBondContact O-N 3.38Å; K645-F664 HydrophobicContact CD-CD2 4.32Å; K645-F664 HydrophobicContact CD-CE2 4.31Å; K645-F664 HydrophobicContact CG-CD1 4.08Å; K645-F664 HydrophobicContact CG-CD2 4.05Å; K645-F664 HydrophobicContact CG-CE1 3.93Å; K645-F664 HydrophobicContact CG-CE2 3.93Å; K645-F664 HydrophobicContact CG-CG 4.13Å; K645-F664 HydrophobicContact CG-CZ 3.86Å; K645-I720 HydrophobicContact CB-CD1 4.27Å; K645-I720 HydrophobicContact CB-CG1 4.46Å; K645-I720 HydrophobicContact CB-CG2 4.22Å; K645-I720 HydrophobicContact CG-CD1 4.49Å; K645-I720 HydrophobicContact CG-CG1 4.39Å
646	E	95.5	Very high	94.6	Very high	31 Å²	31	17.7 Å²	17.7	15%	0.145	9%	0.092	C	C	.	.	H	α-helix	trans	-57.1	-46.7	176.2	-60.9	173.6	-174.2	0	0	111.5	V500 F505 Y625 L642 V643 L649 C650	V500-E646 HydrophobicContact CG1-CG 3.81Å; F505-E646 HydrophobicContact CD1-CB 4.24Å; F505-E646 HydrophobicContact CD1-CG 4.27Å; F505-E646 HydrophobicContact CE1-CB 3.85Å; F505-E646 HydrophobicContact CE1-CG 3.56Å; F505-E646 HydrophobicContact CE2-CG 3.97Å; F505-E646 HydrophobicContact CZ-CB 4.21Å; F505-E646 HydrophobicContact CZ-CG 3.4Å; F505-E646 WeakPolarHBondContact CZ-OE1 3.44Å; Y625-E646 HydrophobicContact CD2-CB 4.36Å; Y625-E646 HydrophobicContact CE2-CB 3.63Å; Y625-E646 PolarHBondContact OH-OE2 2.68Å; L642-E646 WeakPolarHBondContact O-CG 3.27Å; L642-E646 PolarHBondContact O-N 3.21Å; V643-E646 WeakPolarHBondContact O-CB 3.3Å; V643-E646 PolarHBondContact O-N 3.49Å; E646-L649 PolarHBondContact O-N 3.26Å; E646-C650 PolarHBondContact O-N 3.5Å; E646-C650 PolarHBondContact O-SG 3.41Å
647	M	96.8	Very high	94.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-54.7	-54.8	178	-80.9	177.4	174.1	0	0	112	L535 Y625 M628 V633 V643 K645 C650 N651	L535-M647 HydrophobicContact CD2-CE 4.42Å; L535-M647 HydrophobicContact CG-CE 4.14Å; L535-M647 WeakPolarHBondContact O-CE 3.18Å; Y625-M647 HydrophobicContact CD1-CE 4.44Å; Y625-M647 HydrophobicContact CD1-CG 3.7Å; Y625-M647 HydrophobicContact CE1-CE 4.05Å; Y625-M647 HydrophobicContact CE1-CG 3.73Å; Y625-M647 HydrophobicContact CG-CG 4.35Å; M628-M647 HydrophobicContact CE-CB 3.48Å; M628-M647 VanDerWaalsContact CE-CB 3.48Å; M628-M647 HydrophobicContact CE-CG 3.69Å; M628-M647 HydrophobicContact CE-SD 4.38Å; M628-M647 HydrophobicContact SD-CB 4.46Å; M628-M647 HydrophobicContact SD-CE 4.45Å; M628-M647 HydrophobicContact SD-CG 4.03Å; M628-M647 HydrophobicContact SD-SD 4.27Å; V633-M647 HydrophobicContact CG2-SD 4.06Å; V643-M647 HydrophobicContact CG1-CE 3.68Å; V643-M647 HydrophobicContact CG1-CG 4.31Å; V643-M647 HydrophobicContact CG1-SD 4.11Å; V643-M647 WeakPolarHBondContact O-CB 3.45Å; V643-M647 VanDerWaalsContact O-CG 3.29Å; V643-M647 WeakPolarHBondContact O-CG 3.38Å; V643-M647 PolarHBondContact O-N 2.96Å; K645-M647 VanDerWaalsContact C-N 3.33Å; K645-M647 PolarHBondContact O-N 2.81Å; M647-C650 PolarHBondContact O-N 3.03Å; M647-N651 PolarHBondContact O-N 3.32Å
648	L	96	Very high	95.2	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-74.9	-27.8	-178.1	-74.2	-179.6	0	0	0	113.5	A644 K645 L656 L716 I720	A644-L648 PolarHBondContact O-N 3.41Å; K645-L648 PolarHBondContact O-N 2.88Å; L648-L656 HydrophobicContact CD1-CB 4.42Å; L648-L656 HydrophobicContact CD1-CD2 3.63Å; L648-L656 HydrophobicContact CG-CD2 4.29Å; L648-L716 HydrophobicContact CD1-CB 3.6Å; L648-L716 HydrophobicContact CD1-CD1 3.56Å; L648-L716 HydrophobicContact CD1-CG 4.23Å; L648-I720 HydrophobicContact CB-CD1 3.76Å; L648-I720 HydrophobicContact CD1-CD1 4.28Å
649	L	95.2	Very high	95.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.1	-44.6	173.8	-175.2	66.6	0	0	0	110.8	V500 N502 F505 L506 K645 E646 Q717 I720 V721	V500-L649 HydrophobicContact CG2-CD2 3.88Å; N502-L649 HydrophobicContact CB-CD1 4.44Å; N502-L649 HydrophobicContact CB-CD2 4.15Å; F505-L649 HydrophobicContact CB-CD2 3.67Å; F505-L649 HydrophobicContact CB-CG 4.43Å; F505-L649 HydrophobicContact CD2-CD2 4.43Å; F505-L649 HydrophobicContact CG-CD2 4.31Å; L506-L649 HydrophobicContact CD1-CD1 4.34Å; L506-L649 HydrophobicContact CD2-CD1 3.94Å; L506-L649 HydrophobicContact CD2-CG 4.1Å; L506-L649 HydrophobicContact CG-CD1 4.09Å; L506-L649 HydrophobicContact CG-CG 4.23Å; K645-L649 WeakPolarHBondContact O-CB 3.44Å; K645-L649 PolarHBondContact O-N 3.38Å; E646-L649 PolarHBondContact O-N 3.26Å; L649-Q717 PolarHBondContact O-NE2 2.96Å; L649-I720 HydrophobicContact CD1-CG2 4.44Å; L649-V721 HydrophobicContact CD1-CG2 3.97Å
650	C	96.6	Very high	95.7	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.02	9%	0.093	C	C	.	.	H	α-helix	trans	-76.1	-40.9	178.3	-58	0	0	0	0	112.2	T509 Y625 E646 M647	T509-C650 VanDerWaalsContact CG2-O 3.25Å; T509-C650 WeakPolarHBondContact CG2-O 3.43Å; T509-C650 WeakPolarHBondContact OG1-CA 3.34Å; Y625-C650 HydrophobicContact CD2-CB 4.44Å; E646-C650 PolarHBondContact O-N 3.5Å; E646-C650 PolarHBondContact O-SG 3.41Å; M647-C650 PolarHBondContact O-N 3.03Å
651	N	96.8	Very high	95.7	Very high	15 Å²	15	18.5 Å²	18.5	8%	0.08	9%	0.094	C	C	.	.			trans	-132.2	85.6	-173.8	-174.2	2.3	0	0	0	112.2	Y625 L626 M628 M647 K653 A654	Y625-N651 WeakPolarHBondContact O-CB 3.28Å; Y625-N651 PolarHBondContact O-ND2 2.91Å; L626-N651 PolarHBondContact O-ND2 2.96Å; M628-N651 HydrophobicContact CE-CB 4.32Å; M628-N651 PolarHBondContact O-ND2 3.37Å; M647-N651 PolarHBondContact O-N 3.32Å; N651-K653 PolarHBondContact O-N 3.33Å; N651-K653 VanDerWaalsContact O-N 3.14Å; N651-K653 WeakPolarHBondContact OD1-CB 3.35Å; N651-K653 PolarHBondContact OD1-N 2.97Å; N651-A654 HydrophobicContact CB-CB 4.38Å; N651-A654 WeakPolarHBondContact O-CB 3.18Å; N651-A654 PolarHBondContact O-N 3.02Å; N651-A654 PolarHBondContact OD1-N 3.36Å
652	P	95.2	Very high	95.8	Very high	25 Å²	25	18.3 Å²	18.3	16%	0.162	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-0	178.5	31.1	-37.8	0	0	0	113.9	G713 R714 Q717	P652-G713 CarbonylContact O-C 3.57Å; P652-G713 VanDerWaalsContact O-C 3.25Å; P652-G713 WeakPolarHBondContact O-CA 3.39Å; P652-R714 HydrophobicContact CB-CG 4.19Å; P652-R714 PolarHBondContact O-N 3.45Å; P652-Q717 HydrophobicContact CB-CB 3.99Å; P652-Q717 HydrophobicContact CB-CG 4.31Å
653	K	95.1	Very high	95.9	Very high	145 Å²	145	17 Å²	17	63%	0.63	9%	0.086	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-14.8	173.7	-58.7	175.8	-174.3	170.9	0	112	N651	N651-K653 PolarHBondContact O-N 3.33Å; N651-K653 VanDerWaalsContact O-N 3.14Å; N651-K653 WeakPolarHBondContact OD1-CB 3.35Å; N651-K653 PolarHBondContact OD1-N 2.97Å
654	A	95.6	Very high	96	Very high	2 Å²	2	15.8 Å²	15.8	2%	0.017	8%	0.078	C	C	.	.	S	Bend	trans	-73.7	148.8	180	0	0	0	0	0	111.6	M628 D629 N651	M628-A654 HydrophobicContact CE-CB 3.64Å; M628-A654 HydrophobicContact CG-CB 4.15Å; D629-A654 WeakPolarHBondContact O-CA 3.32Å; N651-A654 HydrophobicContact CB-CB 4.38Å; N651-A654 WeakPolarHBondContact O-CB 3.18Å; N651-A654 PolarHBondContact O-N 3.02Å; N651-A654 PolarHBondContact OD1-N 3.36Å
655	R	97.1	Very high	96.1	Very high	14 Å²	14	16.2 Å²	16.2	5%	0.053	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	151.4	169.5	-58.4	171.8	-176.1	70	1.8	109.1	D629 I630 G631 A701 E704 A709	D629-R655 PolarHBondContact O-N 3.05Å; I630-R655 CarbonylContact C-O 3.44Å; I630-R655 WeakPolarHBondContact CA-O 3.46Å; I630-R655 HydrophobicContact CG1-CB 4.19Å; I630-R655 HydrophobicContact CG2-CB 4.39Å; G631-R655 PolarHBondContact N-O 3.43Å; R655-A701 WeakPolarHBondContact CD-O 3.33Å; R655-A701 PolarHBondContact NE-O 3.37Å; R655-E704 WeakPolarHBondContact CD-OE2 3.37Å; R655-E704 WeakPolarHBondContact CG-OE2 3.3Å; R655-E704 PolarHBondContact NE-O 2.91Å; R655-E704 IonicContact NE-OE2 2.67Å; R655-E704 PolarHBondContact NE-OE2 3.49Å; R655-E704 PolarHBondContact NH2-O 3.47Å; R655-A709 HydrophobicContact CG-CB 3.48Å; R655-A709 VanDerWaalsContact CG-CB 3.48Å
656	L	97.4	Very high	96	Very high	6 Å²	6	16.8 Å²	16.8	3%	0.031	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.7	176.8	-167.8	68.4	0	0	0	110.2	A644 L648 L658 F664 Y682 M683	A644-L656 HydrophobicContact CB-CD1 4.25Å; A644-L656 HydrophobicContact CB-CD2 4.3Å; L648-L656 HydrophobicContact CD1-CB 4.42Å; L648-L656 HydrophobicContact CD1-CD2 3.63Å; L648-L656 HydrophobicContact CG-CD2 4.29Å; L656-L658 HydrophobicContact CD1-CD2 4.15Å; L656-L658 HydrophobicContact CD2-CD1 3.73Å; L656-L658 HydrophobicContact CD2-CD2 3.73Å; L656-L658 HydrophobicContact CD2-CG 3.71Å; L656-L658 HydrophobicContact CG-CD1 4.4Å; L656-L658 HydrophobicContact CG-CD2 3.78Å; L656-L658 HydrophobicContact CG-CG 3.83Å; L656-F664 HydrophobicContact CD2-CE1 4.3Å; L656-Y682 WeakPolarHBondContact O-CB 3.43Å; L656-M683 PolarHBondContact O-N 3.28Å
657	V	98.3	Very high	96	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.9	169.9	-174.1	0	0	0	0	108.2	I630 G631 L632 V633 T634 M683 V685 I697 A701	I630-V657 HydrophobicContact CG2-CG2 3.91Å; G631-V657 PolarHBondContact O-N 3.18Å; L632-V657 HydrophobicContact CD2-CB 3.59Å; L632-V657 HydrophobicContact CD2-CG1 4.25Å; L632-V657 HydrophobicContact CD2-CG2 3.6Å; V633-V657 PolarHBondContact N-O 3.18Å; T634-V657 HydrophobicContact CG2-CG1 4.21Å; V657-M683 WeakPolarHBondContact CA-O 3.33Å; V657-M683 HydrophobicContact CG1-CB 4.42Å; V657-M683 HydrophobicContact CG2-CB 4.15Å; V657-V685 HydrophobicContact CG1-CG2 3.78Å; V657-I697 HydrophobicContact CG1-CG2 3.8Å; V657-A701 HydrophobicContact CG2-CB 3.76Å
658	L	98.1	Very high	96	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	148.8	-179.7	-63.1	-175.9	0	0	0	111.6	V633 A644 L656 T662 F664 E665 L668 Y682 M683 R684 V685	V633-L658 HydrophobicContact CB-CD2 3.79Å; V633-L658 HydrophobicContact CG1-CD2 4.28Å; V633-L658 VanDerWaalsContact O-CA 3.32Å; V633-L658 WeakPolarHBondContact O-CA 3.49Å; A644-L658 HydrophobicContact CB-CD2 4.11Å; L656-L658 HydrophobicContact CD1-CD2 4.15Å; L656-L658 HydrophobicContact CD2-CD1 3.73Å; L656-L658 HydrophobicContact CD2-CD2 3.73Å; L656-L658 HydrophobicContact CD2-CG 3.71Å; L656-L658 HydrophobicContact CG-CD1 4.4Å; L656-L658 HydrophobicContact CG-CD2 3.78Å; L656-L658 HydrophobicContact CG-CG 3.83Å; L658-T662 HydrophobicContact CD2-CG2 4.26Å; L658-F664 HydrophobicContact CD1-CD1 4.35Å; L658-E665 HydrophobicContact CB-CB 3.95Å; L658-E665 HydrophobicContact CB-CG 3.76Å; L658-E665 HydrophobicContact CD1-CB 3.84Å; L658-E665 HydrophobicContact CD1-CG 4.12Å; L658-L668 HydrophobicContact CD1-CD1 3.92Å; L658-Y682 HydrophobicContact CB-CD2 4.05Å; L658-Y682 HydrophobicContact CB-CE2 4.19Å; L658-Y682 HydrophobicContact CD1-CD2 4.03Å; L658-Y682 HydrophobicContact CD1-CE2 4.15Å; L658-Y682 HydrophobicContact CD1-CG 4.41Å; L658-Y682 HydrophobicContact CG-CD2 4.17Å; L658-M683 PolarHBondContact N-O 3.32Å; L658-R684 CarbonylContact O-C 3.6Å; L658-R684 VanDerWaalsContact O-CA 3.29Å; L658-R684 WeakPolarHBondContact O-CA 3.4Å; L658-V685 PolarHBondContact O-N 3.12Å
659	S	97.2	Very high	95.9	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.007	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	155.9	164.3	62.3	0	0	0	0	111.2	V633 T634 S635 G661 T662 E665 V685	V633-S659 PolarHBondContact O-N 2.99Å; T634-S659 WeakPolarHBondContact CA-OG 3.39Å; S635-S659 PolarHBondContact N-OG 2.85Å; S635-S659 VanDerWaalsContact N-OG 3.16Å; S635-S659 PolarHBondContact O-OG 3.48Å; S659-G661 PolarHBondContact O-N 3.41Å; S659-G661 VanDerWaalsContact O-N 3.12Å; S659-T662 VanDerWaalsContact O-CB 3.26Å; S659-T662 WeakPolarHBondContact O-CB 3.42Å; S659-T662 PolarHBondContact O-N 2.83Å; S659-T662 PolarHBondContact O-OG1 3.15Å; S659-T662 PolarHBondContact OG-OG1 3.27Å; S659-E665 WeakPolarHBondContact O-CB 3.25Å; S659-E665 WeakPolarHBondContact O-CG 3Å; S659-V685 WeakPolarHBondContact CA-O 3.48Å
660	I	95.1	Very high	95.6	Very high	78 Å²	78	23.3 Å²	23.3	40%	0.4	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.2	172.3	62.5	165.9	0	0	0	113.6	R455 T662 R684 V685 D686	R455-I660 PolarHBondContact NH1-O 3.03Å; I660-T662 VanDerWaalsContact C-N 3.25Å; I660-T662 PolarHBondContact O-N 3.3Å; I660-R684 HydrophobicContact CG2-CG 3.9Å; I660-V685 PolarHBondContact N-O 3.26Å; I660-D686 WeakPolarHBondContact CD1-O 3.48Å; I660-D686 VanDerWaalsContact CG1-O 3.29Å; I660-D686 WeakPolarHBondContact CG1-O 3.33Å
661	G	94.2	Very high	95.3	Very high	8 Å²	8	25.4 Å²	25.4	8%	0.082	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-18.9	175.7	0	0	0	0	0	113	S636 A637 D638 S659 G663	S636-G661 WeakPolarHBondContact O-CA 3.21Å; A637-G661 CarbonylContact C-O 3.34Å; A637-G661 WeakPolarHBondContact CA-O 3.49Å; D638-G661 PolarHBondContact N-O 3.23Å; S659-G661 PolarHBondContact O-N 3.41Å; S659-G661 VanDerWaalsContact O-N 3.12Å; G661-G663 PolarHBondContact O-N 3.29Å
662	T	95.8	Very high	95.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-79.9	118.3	-175.9	-59.2	0	0	0	0	110.6	V633 S635 N641 L658 S659 I660 F664 E665 S666	V633-T662 HydrophobicContact CG1-CG2 3.74Å; V633-T662 PolarHBondContact O-OG1 3.04Å; S635-T662 PolarHBondContact N-OG1 3.16Å; N641-T662 HydrophobicContact CB-CG2 3.52Å; L658-T662 HydrophobicContact CD2-CG2 4.26Å; S659-T662 VanDerWaalsContact O-CB 3.26Å; S659-T662 WeakPolarHBondContact O-CB 3.42Å; S659-T662 PolarHBondContact O-N 2.83Å; S659-T662 PolarHBondContact O-OG1 3.15Å; S659-T662 PolarHBondContact OG-OG1 3.27Å; I660-T662 VanDerWaalsContact C-N 3.25Å; I660-T662 PolarHBondContact O-N 3.3Å; T662-F664 HydrophobicContact CG2-CB 4.36Å; T662-F664 PolarHBondContact O-N 2.94Å; T662-F664 VanDerWaalsContact O-N 3.08Å; T662-E665 WeakPolarHBondContact O-CA 3.39Å; T662-E665 WeakPolarHBondContact O-CB 2.77Å; T662-E665 PolarHBondContact O-N 3.04Å; T662-S666 PolarHBondContact O-N 2.73Å
663	G	94.5	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.5	-31.6	-177.5	0	0	0	0	0	115.8	D638 G639 G661 E665 S666 Q667	D638-G663 WeakPolarHBondContact O-CA 3.24Å; D638-G663 PolarHBondContact O-N 3.41Å; G639-G663 WeakPolarHBondContact O-CA 3.42Å; G661-G663 PolarHBondContact O-N 3.29Å; G663-E665 VanDerWaalsContact C-N 3.3Å; G663-E665 PolarHBondContact O-N 3.29Å; G663-S666 WeakPolarHBondContact O-CB 3.38Å; G663-S666 PolarHBondContact O-N 3.28Å; G663-Q667 PolarHBondContact O-N 2.98Å; G663-Q667 VanDerWaalsContact O-N 3.12Å
664	F	96.1	Very high	95.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.4	-32.4	174.8	-175.6	-139	0	0	0	112.4	M640 A644 K645 L656 L658 T662 Q667 L668 F719 I720	M640-F664 HydrophobicContact SD-CB 3.86Å; M640-F664 HydrophobicContact SD-CD2 4.43Å; A644-F664 HydrophobicContact CB-CD1 3.55Å; A644-F664 HydrophobicContact CB-CE1 4.12Å; K645-F664 HydrophobicContact CD-CD2 4.32Å; K645-F664 HydrophobicContact CD-CE2 4.31Å; K645-F664 HydrophobicContact CG-CD1 4.08Å; K645-F664 HydrophobicContact CG-CD2 4.05Å; K645-F664 HydrophobicContact CG-CE1 3.93Å; K645-F664 HydrophobicContact CG-CE2 3.93Å; K645-F664 HydrophobicContact CG-CG 4.13Å; K645-F664 HydrophobicContact CG-CZ 3.86Å; L656-F664 HydrophobicContact CD2-CE1 4.3Å; L658-F664 HydrophobicContact CD1-CD1 4.35Å; T662-F664 HydrophobicContact CG2-CB 4.36Å; T662-F664 PolarHBondContact O-N 2.94Å; T662-F664 VanDerWaalsContact O-N 3.08Å; F664-Q667 HydrophobicContact CD2-CB 4.38Å; F664-Q667 WeakPolarHBondContact O-CB 3.49Å; F664-Q667 PolarHBondContact O-N 3.45Å; F664-L668 HydrophobicContact CD1-CD1 4.14Å; F664-L668 HydrophobicContact CD2-CD1 4.5Å; F664-L668 HydrophobicContact CD2-CG 4.08Å; F664-L668 HydrophobicContact CE1-CD1 3.81Å; F664-L668 HydrophobicContact CE1-CG 4.32Å; F664-L668 HydrophobicContact CE2-CD1 4.17Å; F664-L668 HydrophobicContact CE2-CD2 3.74Å; F664-L668 HydrophobicContact CE2-CG 3.75Å; F664-L668 HydrophobicContact CG-CD1 4.5Å; F664-L668 HydrophobicContact CG-CG 4.49Å; F664-L668 HydrophobicContact CZ-CD1 3.82Å; F664-L668 HydrophobicContact CZ-CD2 3.81Å; F664-L668 HydrophobicContact CZ-CG 3.89Å; F664-L668 VanDerWaalsContact O-CG 3.32Å; F664-L668 WeakPolarHBondContact O-CG 3.15Å; F664-L668 PolarHBondContact O-N 3.12Å; F664-F719 HydrophobicContact CE2-CD1 4.5Å; F664-F719 HydrophobicContact CE2-CE1 4.35Å; F664-I720 HydrophobicContact CE1-CD1 4.39Å; F664-I720 HydrophobicContact CE2-CG1 4.39Å; F664-I720 HydrophobicContact CZ-CD1 3.89Å; F664-I720 HydrophobicContact CZ-CG1 3.81Å
665	E	96.6	Very high	95.1	Very high	9 Å²	9	23 Å²	23	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-46	173.7	-167.1	-73.8	149.5	0	0	110.6	L658 S659 T662 G663 Q667 L668 C669 Y682 R684	L658-E665 HydrophobicContact CB-CB 3.95Å; L658-E665 HydrophobicContact CB-CG 3.76Å; L658-E665 HydrophobicContact CD1-CB 3.84Å; L658-E665 HydrophobicContact CD1-CG 4.12Å; S659-E665 WeakPolarHBondContact O-CB 3.25Å; S659-E665 WeakPolarHBondContact O-CG 3Å; T662-E665 WeakPolarHBondContact O-CA 3.39Å; T662-E665 WeakPolarHBondContact O-CB 2.77Å; T662-E665 PolarHBondContact O-N 3.04Å; G663-E665 VanDerWaalsContact C-N 3.3Å; G663-E665 PolarHBondContact O-N 3.29Å; E665-Q667 VanDerWaalsContact C-N 3.32Å; E665-Q667 PolarHBondContact O-N 3.44Å; E665-L668 PolarHBondContact O-N 3.09Å; E665-L668 VanDerWaalsContact O-N 3.16Å; E665-C669 WeakPolarHBondContact O-CB 3.39Å; E665-C669 PolarHBondContact O-N 2.84Å; E665-Y682 HydrophobicContact CG-CE2 3.77Å; E665-Y682 PolarHBondContact OE1-OH 3.03Å; E665-R684 IonicContact OE1-CZ 3.99Å; E665-R684 IonicContact OE1-NE 3.75Å; E665-R684 PolarHBondContact OE1-NE 3.18Å; E665-R684 IonicContact OE1-NH2 3.92Å; E665-R684 PolarHBondContact OE1-NH2 3.28Å
666	S	94	Very high	94.7	Very high	14 Å²	14	31.8 Å²	31.8	10%	0.098	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-42.3	176.2	-169.1	0	0	0	0	111.8	T662 G663 C669 Q670	T662-S666 PolarHBondContact O-N 2.73Å; G663-S666 WeakPolarHBondContact O-CB 3.38Å; G663-S666 PolarHBondContact O-N 3.28Å; S666-C669 PolarHBondContact O-N 2.85Å; S666-Q670 WeakPolarHBondContact O-CG 3.47Å; S666-Q670 PolarHBondContact O-N 3.23Å; S666-Q670 PolarHBondContact OG-NE2 3.16Å
667	Q	94.6	Very high	94.3	Very high	19 Å²	19	40.6 Å²	40.6	9%	0.089	22%	0.218	C	C	.	.	H	α-helix	trans	-60	-46.9	174.5	-175.8	-177.1	17	0	0	111.6	P497 M640 G663 F664 E665 Q670 A671 F719	P497-Q667 VanDerWaalsContact CB-CD 3.49Å; P497-Q667 HydrophobicContact CB-CG 4.2Å; P497-Q667 HydrophobicContact CG-CG 4.18Å; M640-Q667 HydrophobicContact CE-CB 4.37Å; G663-Q667 PolarHBondContact O-N 2.98Å; G663-Q667 VanDerWaalsContact O-N 3.12Å; F664-Q667 HydrophobicContact CD2-CB 4.38Å; F664-Q667 WeakPolarHBondContact O-CB 3.49Å; F664-Q667 PolarHBondContact O-N 3.45Å; E665-Q667 VanDerWaalsContact C-N 3.32Å; E665-Q667 PolarHBondContact O-N 3.44Å; Q667-Q670 PolarHBondContact O-N 2.77Å; Q667-A671 WeakPolarHBondContact O-CB 3.39Å; Q667-A671 PolarHBondContact O-N 2.98Å; Q667-F719 HydrophobicContact CG-CE1 4.07Å; Q667-F719 HydrophobicContact CG-CZ 4.03Å
668	L	95.7	Very high	93.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.1	-40.4	179.9	-71.3	-178.8	0	0	0	112.3	L658 F664 E665 A671 G672 F673 Y682 L716 F719	L658-L668 HydrophobicContact CD1-CD1 3.92Å; F664-L668 HydrophobicContact CD1-CD1 4.14Å; F664-L668 HydrophobicContact CD2-CD1 4.5Å; F664-L668 HydrophobicContact CD2-CG 4.08Å; F664-L668 HydrophobicContact CE1-CD1 3.81Å; F664-L668 HydrophobicContact CE1-CG 4.32Å; F664-L668 HydrophobicContact CE2-CD1 4.17Å; F664-L668 HydrophobicContact CE2-CD2 3.74Å; F664-L668 HydrophobicContact CE2-CG 3.75Å; F664-L668 HydrophobicContact CG-CD1 4.5Å; F664-L668 HydrophobicContact CG-CG 4.49Å; F664-L668 HydrophobicContact CZ-CD1 3.82Å; F664-L668 HydrophobicContact CZ-CD2 3.81Å; F664-L668 HydrophobicContact CZ-CG 3.89Å; F664-L668 VanDerWaalsContact O-CG 3.32Å; F664-L668 WeakPolarHBondContact O-CG 3.15Å; F664-L668 PolarHBondContact O-N 3.12Å; E665-L668 PolarHBondContact O-N 3.09Å; E665-L668 VanDerWaalsContact O-N 3.16Å; L668-A671 CarbonylContact O-C 3.54Å; L668-A671 PolarHBondContact O-N 2.87Å; L668-G672 PolarHBondContact O-N 2.95Å; L668-F673 HydrophobicContact CB-CB 4.12Å; L668-F673 HydrophobicContact CB-CD2 4.32Å; L668-F673 HydrophobicContact CD2-CD2 3.61Å; L668-F673 HydrophobicContact CD2-CE2 4.12Å; L668-F673 HydrophobicContact CD2-CG 4.18Å; L668-F673 WeakPolarHBondContact O-CB 3.41Å; L668-F673 PolarHBondContact O-N 2.83Å; L668-Y682 HydrophobicContact CB-CE1 3.83Å; L668-Y682 HydrophobicContact CD1-CD1 4.03Å; L668-Y682 HydrophobicContact CD1-CE1 3.96Å; L668-L716 HydrophobicContact CD1-CD2 3.88Å; L668-L716 HydrophobicContact CD2-CD2 3.68Å; L668-L716 HydrophobicContact CG-CD2 4.38Å; L668-F719 HydrophobicContact CD2-CD1 3.82Å; L668-F719 HydrophobicContact CD2-CE1 3.98Å
669	C	93.9	Very high	93.6	Very high	47 Å²	47	47.1 Å²	47.1	32%	0.318	27%	0.266	S	S	.	.	H	α-helix	trans	-59.4	-47.4	176.2	-172.2	0	0	0	0	110.9	E665 S666 A671 G672 R684	E665-C669 WeakPolarHBondContact O-CB 3.39Å; E665-C669 PolarHBondContact O-N 2.84Å; S666-C669 PolarHBondContact O-N 2.85Å; C669-A671 VanDerWaalsContact C-N 3.3Å; C669-A671 PolarHBondContact O-N 2.81Å; C669-G672 PolarHBondContact O-N 3.07Å; C669-G672 VanDerWaalsContact O-N 3.08Å; C669-R684 PolarHBondContact SG-NH2 3.02Å
670	Q	89.4	Confident	93.5	Very high	104 Å²	104	51.4 Å²	51.4	49%	0.486	29%	0.285	S	S	.	.	H	α-helix	trans	-66.7	-31.3	177.9	-71	175.3	26.5	0	0	113	T454 S666 Q667 G672	T454-Q670 VanDerWaalsContact CB-NE2 3.29Å; T454-Q670 PolarHBondContact OG1-NE2 3Å; T454-Q670 PolarHBondContact OG1-OE1 3.34Å; S666-Q670 WeakPolarHBondContact O-CG 3.47Å; S666-Q670 PolarHBondContact O-N 3.23Å; S666-Q670 PolarHBondContact OG-NE2 3.16Å; Q667-Q670 PolarHBondContact O-N 2.77Å; Q670-G672 PolarHBondContact O-N 3.34Å
671	A	91.2	Very high	93.6	Very high	46 Å²	46	50.2 Å²	50.2	38%	0.38	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1.1	174	0	0	0	0	0	113.7	Q667 L668 C669 F673 F719	Q667-A671 WeakPolarHBondContact O-CB 3.39Å; Q667-A671 PolarHBondContact O-N 2.98Å; L668-A671 CarbonylContact O-C 3.54Å; L668-A671 PolarHBondContact O-N 2.87Å; C669-A671 VanDerWaalsContact C-N 3.3Å; C669-A671 PolarHBondContact O-N 2.81Å; A671-F673 HydrophobicContact CB-CD2 3.79Å; A671-F673 HydrophobicContact CB-CE2 3.82Å; A671-F719 HydrophobicContact CB-CD2 4.46Å; A671-F719 HydrophobicContact CB-CE2 3.71Å; A671-F719 HydrophobicContact CB-CZ 3.93Å
672	G	93	Very high	93.7	Very high	43 Å²	43	50.2 Å²	50.2	44%	0.443	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	16.5	174.8	0	0	0	0	0	115.4	L668 C669 Q670 Y674	L668-G672 PolarHBondContact O-N 2.95Å; C669-G672 PolarHBondContact O-N 3.07Å; C669-G672 VanDerWaalsContact O-N 3.08Å; Q670-G672 PolarHBondContact O-N 3.34Å; G672-Y674 VanDerWaalsContact C-N 3.29Å
673	F	96.2	Very high	93.8	Very high	15 Å²	15	52.2 Å²	52.2	7%	0.066	28%	0.283	C	S	.	.	S	Bend	trans	-81.9	-5.6	177.4	-70.3	-71.9	0	0	0	114.5	L668 A671 Y681 Y682 R715 L716 F719	L668-F673 HydrophobicContact CB-CB 4.12Å; L668-F673 HydrophobicContact CB-CD2 4.32Å; L668-F673 HydrophobicContact CD2-CD2 3.61Å; L668-F673 HydrophobicContact CD2-CE2 4.12Å; L668-F673 HydrophobicContact CD2-CG 4.18Å; L668-F673 WeakPolarHBondContact O-CB 3.41Å; L668-F673 PolarHBondContact O-N 2.83Å; A671-F673 HydrophobicContact CB-CD2 3.79Å; A671-F673 HydrophobicContact CB-CE2 3.82Å; F673-Y681 HydrophobicContact CB-CD2 4.31Å; F673-Y681 HydrophobicContact CD1-CD1 4.21Å; F673-Y681 AromaticContact CD1-CD2 3.83Å; F673-Y681 HydrophobicContact CD1-CD2 3.83Å; F673-Y681 HydrophobicContact CD1-CE2 4.3Å; F673-Y681 AromaticContact CD1-CG 3.79Å; F673-Y681 HydrophobicContact CD1-CG 3.79Å; F673-Y681 WeakPolarHBondContact O-CD2 3.36Å; F673-Y681 PolarHBondContact O-N 2.9Å; F673-Y681 VanDerWaalsContact O-N 3.09Å; F673-Y682 HydrophobicContact CB-CE1 4.12Å; F673-R715 HydrophobicContact CD1-CG 4.49Å; F673-R715 HydrophobicContact CE1-CG 3.63Å; F673-R715 HydrophobicContact CZ-CG 4.47Å; F673-L716 HydrophobicContact CB-CD2 4.12Å; F673-L716 HydrophobicContact CD1-CD2 3.69Å; F673-L716 HydrophobicContact CD2-CD2 4.27Å; F673-L716 HydrophobicContact CE1-CD2 4.19Å; F673-L716 HydrophobicContact CG-CD2 3.74Å; F673-F719 HydrophobicContact CE2-CB 3.89Å; F673-F719 HydrophobicContact CE2-CD1 4.27Å; F673-F719 AromaticContact CE2-CD2 3.6Å; F673-F719 HydrophobicContact CE2-CD2 3.6Å; F673-F719 HydrophobicContact CE2-CE2 4.16Å; F673-F719 AromaticContact CE2-CG 3.65Å; F673-F719 HydrophobicContact CE2-CG 3.65Å; F673-F719 HydrophobicContact CZ-CB 3.77Å; F673-F719 HydrophobicContact CZ-CD2 4.09Å; F673-F719 HydrophobicContact CZ-CG 4.05Å
674	Y	95.8	Very high	93.9	Very high	39 Å²	39	54.2 Å²	54.2	15%	0.153	29%	0.29	C	S	.	.	S	Bend	trans	-140	69.8	173.3	-160.9	-82.8	0	0	0	109.6	G672 K680 Y682 R684	G672-Y674 VanDerWaalsContact C-N 3.29Å; Y674-K680 HydrophobicContact CD2-CB 4.02Å; Y674-K680 HydrophobicContact CD2-CD 4.08Å; Y674-K680 HydrophobicContact CD2-CG 3.92Å; Y674-K680 HydrophobicContact CE1-CD 4.14Å; Y674-K680 HydrophobicContact CE2-CB 4.11Å; Y674-K680 HydrophobicContact CE2-CD 3.55Å; Y674-K680 HydrophobicContact CE2-CG 3.92Å; Y674-K680 HydrophobicContact CG-CG 4.28Å; Y674-K680 PolarHBondContact OH-NZ 3.22Å; Y674-K680 VanDerWaalsContact OH-NZ 3.08Å; Y674-Y682 VanDerWaalsContact CB-OH 3.29Å; Y674-Y682 WeakPolarHBondContact CB-OH 3.4Å; Y674-Y682 HydrophobicContact CD2-CD2 4.37Å; Y674-Y682 HydrophobicContact CD2-CE1 4.18Å; Y674-Y682 AromaticContact CD2-CE2 3.87Å; Y674-Y682 HydrophobicContact CD2-CE2 3.87Å; Y674-Y682 AromaticContact CD2-CZ 3.78Å; Y674-Y682 HydrophobicContact CG-CE1 4.49Å; Y674-Y682 HydrophobicContact CG-CE2 4.49Å; Y674-R684 VanDerWaalsContact CD1-NH2 3.31Å; Y674-R684 HydrophobicContact CD2-CB 4.29Å; Y674-R684 VanDerWaalsContact CE1-CZ 3.49Å; Y674-R684 HydrophobicContact CE2-CB 3.58Å
675	P	93.1	Very high	94	Very high	41 Å²	41	54.2 Å²	54.2	27%	0.266	29%	0.29	S	S	.	.			trans	-72.6	157.1	179	32.9	-35.2	0	0	0	110.8	K677 E679	P675-K677 WeakPolarHBondContact CB-O 3.23Å; P675-K677 PolarHBondContact O-N 3.11Å; P675-E679 WeakPolarHBondContact CD-O 3.49Å
676	E	89.2	Confident	93.9	Very high	198 Å²	198	57.2 Å²	57.2	93%	0.925	31%	0.306	S	S	*	.	S	Bend	trans	-61.5	-37.5	172	-67.2	-176.1	172.8	0	0	111.8
677	K	88.2	Confident	93.9	Very high	191 Å²	191	60.4 Å²	60.4	83%	0.83	32%	0.322	S	S	*	.	S	Bend	trans	-126.8	127.3	176.5	-64.4	-179.2	-177.8	176.5	0	109.5	P675	P675-K677 WeakPolarHBondContact CB-O 3.23Å; P675-K677 PolarHBondContact O-N 3.11Å
678	G	90.3	Very high	94	Very high	64 Å²	64	60.4 Å²	60.4	66%	0.66	32%	0.323	S	S	*	.	S	Bend	trans	125.3	-168.5	-179.8	0	0	0	0	0	112.7
679	E	92.2	Very high	94	Very high	73 Å²	73	67.2 Å²	67.2	34%	0.341	35%	0.352	S	S	.	.			trans	-74.2	132	179.9	-173.2	169.1	-160.1	0	0	111.2	P675 Y681 R711 H712	P675-E679 WeakPolarHBondContact CD-O 3.49Å; E679-Y681 HydrophobicContact CB-CE2 4.39Å; E679-Y681 HydrophobicContact CG-CE2 4.45Å; E679-Y681 WeakPolarHBondContact O-CE2 3.38Å; E679-R711 IonicContact OE1-CZ 2.94Å; E679-R711 VanDerWaalsContact OE1-CZ 3.24Å; E679-R711 IonicContact OE1-NE 2.79Å; E679-R711 PolarHBondContact OE1-NE 2.9Å; E679-R711 IonicContact OE1-NH2 3.9Å; E679-R711 PolarHBondContact OE1-NH2 3.43Å; E679-R711 IonicContact OE2-NE 3.18Å; E679-H712 IonicContact OE1-CD2 3.71Å; E679-H712 PolarHBondContact OE1-CD2 3.18Å; E679-H712 IonicContact OE1-CE1 3.32Å; E679-H712 IonicContact OE1-NE2 3.46Å; E679-H712 PolarHBondContact OE1-NE2 3.32Å
680	K	95	Very high	94.1	Very high	91 Å²	91	68.2 Å²	68.2	40%	0.396	36%	0.355	S	S	.	.			trans	-100.7	130.7	174.2	-66.8	170.2	172.9	-172.9	0	108.5	Y674 H712	Y674-K680 HydrophobicContact CD2-CB 4.02Å; Y674-K680 HydrophobicContact CD2-CD 4.08Å; Y674-K680 HydrophobicContact CD2-CG 3.92Å; Y674-K680 HydrophobicContact CE1-CD 4.14Å; Y674-K680 HydrophobicContact CE2-CB 4.11Å; Y674-K680 HydrophobicContact CE2-CD 3.55Å; Y674-K680 HydrophobicContact CE2-CG 3.92Å; Y674-K680 HydrophobicContact CG-CG 4.28Å; Y674-K680 PolarHBondContact OH-NZ 3.22Å; Y674-K680 VanDerWaalsContact OH-NZ 3.08Å; K680-H712 PolarHBondContact O-CE1 3.08Å
681	Y	96.3	Very high	94.4	Very high	52 Å²	52	64.4 Å²	64.4	20%	0.204	34%	0.341	C	S	.	.	S	Bend	trans	-96.1	-0	-171.2	-68.1	-102.1	0	0	0	113.6	F673 E679 H712 R715 L716	F673-Y681 HydrophobicContact CB-CD2 4.31Å; F673-Y681 HydrophobicContact CD1-CD1 4.21Å; F673-Y681 AromaticContact CD1-CD2 3.83Å; F673-Y681 HydrophobicContact CD1-CD2 3.83Å; F673-Y681 HydrophobicContact CD1-CE2 4.3Å; F673-Y681 AromaticContact CD1-CG 3.79Å; F673-Y681 HydrophobicContact CD1-CG 3.79Å; F673-Y681 WeakPolarHBondContact O-CD2 3.36Å; F673-Y681 PolarHBondContact O-N 2.9Å; F673-Y681 VanDerWaalsContact O-N 3.09Å; E679-Y681 HydrophobicContact CB-CE2 4.39Å; E679-Y681 HydrophobicContact CG-CE2 4.45Å; E679-Y681 WeakPolarHBondContact O-CE2 3.38Å; Y681-H712 HydrophobicContact CD1-CB 4.38Å; Y681-H712 WeakPolarHBondContact O-CB 3.3Å; Y681-R715 HydrophobicContact CD1-CB 3.83Å; Y681-R715 HydrophobicContact CD1-CG 4Å; Y681-R715 HydrophobicContact CE1-CB 3.74Å; Y681-R715 HydrophobicContact CE1-CG 3.61Å; Y681-L716 WeakPolarHBondContact O-CD1 3.45Å
682	Y	96.8	Very high	94.7	Very high	9 Å²	9	67.7 Å²	67.7	4%	0.035	35%	0.349	C	S	.	.	S	Bend	trans	-157.3	165.2	176.6	61.1	-86.5	0	0	0	109.6	L656 L658 E665 L668 F673 Y674 R684	L656-Y682 WeakPolarHBondContact O-CB 3.43Å; L658-Y682 HydrophobicContact CB-CD2 4.05Å; L658-Y682 HydrophobicContact CB-CE2 4.19Å; L658-Y682 HydrophobicContact CD1-CD2 4.03Å; L658-Y682 HydrophobicContact CD1-CE2 4.15Å; L658-Y682 HydrophobicContact CD1-CG 4.41Å; L658-Y682 HydrophobicContact CG-CD2 4.17Å; E665-Y682 HydrophobicContact CG-CE2 3.77Å; E665-Y682 PolarHBondContact OE1-OH 3.03Å; L668-Y682 HydrophobicContact CB-CE1 3.83Å; L668-Y682 HydrophobicContact CD1-CD1 4.03Å; L668-Y682 HydrophobicContact CD1-CE1 3.96Å; F673-Y682 HydrophobicContact CB-CE1 4.12Å; Y674-Y682 VanDerWaalsContact CB-OH 3.29Å; Y674-Y682 WeakPolarHBondContact CB-OH 3.4Å; Y674-Y682 HydrophobicContact CD2-CD2 4.37Å; Y674-Y682 HydrophobicContact CD2-CE1 4.18Å; Y674-Y682 AromaticContact CD2-CE2 3.87Å; Y674-Y682 HydrophobicContact CD2-CE2 3.87Å; Y674-Y682 AromaticContact CD2-CZ 3.78Å; Y674-Y682 HydrophobicContact CG-CE1 4.49Å; Y674-Y682 HydrophobicContact CG-CE2 4.49Å; Y682-R684 HydrophobicContact CE2-CB 4.21Å; Y682-R684 PolarHBondContact OH-NH2 3.38Å
683	M	96.9	Very high	94.9	Very high	42 Å²	42	68.1 Å²	68.1	21%	0.207	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.3	175.6	-59.6	-65.3	170.9	0	0	109.9	L656 V657 L658 I697 K700 A701 E704	L656-M683 PolarHBondContact O-N 3.28Å; V657-M683 WeakPolarHBondContact CA-O 3.33Å; V657-M683 HydrophobicContact CG1-CB 4.42Å; V657-M683 HydrophobicContact CG2-CB 4.15Å; L658-M683 PolarHBondContact N-O 3.32Å; M683-I697 HydrophobicContact CB-CG2 3.89Å; M683-K700 HydrophobicContact SD-CB 4.46Å; M683-A701 HydrophobicContact CG-CB 4.32Å; M683-E704 HydrophobicContact CE-CB 4.31Å; M683-E704 WeakPolarHBondContact CE-OE1 3.49Å
684	R	97.1	Very high	95	Very high	42 Å²	42	67.4 Å²	67.4	16%	0.158	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.2	-178.5	-178.8	-170.8	-77.5	179.9	-2.6	111.2	L658 I660 E665 C669 Y674 Y682 D686 I697	L658-R684 CarbonylContact O-C 3.6Å; L658-R684 VanDerWaalsContact O-CA 3.29Å; L658-R684 WeakPolarHBondContact O-CA 3.4Å; I660-R684 HydrophobicContact CG2-CG 3.9Å; E665-R684 IonicContact OE1-CZ 3.99Å; E665-R684 IonicContact OE1-NE 3.75Å; E665-R684 PolarHBondContact OE1-NE 3.18Å; E665-R684 IonicContact OE1-NH2 3.92Å; E665-R684 PolarHBondContact OE1-NH2 3.28Å; C669-R684 PolarHBondContact SG-NH2 3.02Å; Y674-R684 VanDerWaalsContact CD1-NH2 3.31Å; Y674-R684 HydrophobicContact CD2-CB 4.29Å; Y674-R684 VanDerWaalsContact CE1-CZ 3.49Å; Y674-R684 HydrophobicContact CE2-CB 3.58Å; Y682-R684 HydrophobicContact CE2-CB 4.21Å; Y682-R684 PolarHBondContact OH-NH2 3.38Å; R684-D686 WeakPolarHBondContact CD-OD1 3.28Å; R684-I697 WeakPolarHBondContact O-CD1 3.28Å
685	V	97.7	Very high	95.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	107.6	167.5	-175.9	0	0	0	0	108.5	T634 V657 L658 S659 I660 I688 Y694 I697	T634-V685 HydrophobicContact CG2-CG2 4.12Å; V657-V685 HydrophobicContact CG1-CG2 3.78Å; L658-V685 PolarHBondContact O-N 3.12Å; S659-V685 WeakPolarHBondContact CA-O 3.48Å; I660-V685 PolarHBondContact N-O 3.26Å; V685-I688 HydrophobicContact CG1-CG2 4.03Å; V685-Y694 HydrophobicContact CB-CD2 4.37Å; V685-Y694 HydrophobicContact CG1-CD1 4.15Å; V685-Y694 HydrophobicContact CG1-CD2 3.96Å; V685-Y694 HydrophobicContact CG1-CE2 4.47Å; V685-Y694 HydrophobicContact CG1-CG 3.83Å; V685-Y694 HydrophobicContact CG2-CD2 3.44Å; V685-Y694 VanDerWaalsContact CG2-CD2 3.44Å; V685-Y694 HydrophobicContact CG2-CE2 3.56Å; V685-Y694 HydrophobicContact CG2-CG 4.2Å; V685-I697 HydrophobicContact CB-CD1 4.19Å; V685-I697 HydrophobicContact CG1-CD1 4.45Å; V685-I697 HydrophobicContact CG2-CB 4.45Å; V685-I697 HydrophobicContact CG2-CD1 3.85Å; V685-I697 HydrophobicContact CG2-CG2 4.02Å
686	D	94.8	Very high	95.2	Very high	71 Å²	71	65.9 Å²	65.9	38%	0.38	33%	0.328	S	S	.	.	S	Bend	trans	-73.8	-39.8	-177.7	-56.2	-55	0	0	0	111.6	I660 R684 Q693	I660-D686 WeakPolarHBondContact CD1-O 3.48Å; I660-D686 VanDerWaalsContact CG1-O 3.29Å; I660-D686 WeakPolarHBondContact CG1-O 3.33Å; R684-D686 WeakPolarHBondContact CD-OD1 3.28Å; D686-Q693 PolarHBondContact OD2-NE2 2.89Å
687	N	95.4	Very high	95.6	Very high	81 Å²	81	57.2 Å²	57.2	43%	0.433	29%	0.288	S	S	.	.			trans	-133.7	105.6	176.4	-177.2	1.1	0	0	0	110.9	K689 N690	N687-K689 PolarHBondContact O-N 2.88Å; N687-K689 VanDerWaalsContact O-N 3.14Å; N687-K689 WeakPolarHBondContact OD1-CB 3.07Å; N687-K689 PolarHBondContact OD1-N 3.11Å; N687-N690 HydrophobicContact CB-CB 4.2Å; N687-N690 WeakPolarHBondContact O-CB 3.45Å; N687-N690 PolarHBondContact O-N 3.07Å
688	I	95.6	Very high	96.1	Very high	20 Å²	20	48.1 Å²	48.1	10%	0.103	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.4	178.6	63.2	163.5	0	0	0	113	E548 V685 N690	E548-I688 HydrophobicContact CB-CB 4.34Å; E548-I688 HydrophobicContact CB-CD1 4.33Å; E548-I688 HydrophobicContact CB-CG1 4.49Å; E548-I688 WeakPolarHBondContact CB-O 3.33Å; E548-I688 HydrophobicContact CG-CD1 4.1Å; E548-I688 HydrophobicContact CG-CG1 4.31Å; V685-I688 HydrophobicContact CG1-CG2 4.03Å; I688-N690 VanDerWaalsContact C-N 3.29Å
689	K	95	Very high	96.4	Very high	142 Å²	142	48.7 Å²	48.7	62%	0.617	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.9	178	-60.6	-176.2	176.8	-178.9	0	112	E351 E548 N687 A691	E351-K689 IonicContact OE1-NZ 2.54Å; E548-K689 HydrophobicContact CG-CG 4.4Å; N687-K689 PolarHBondContact O-N 2.88Å; N687-K689 VanDerWaalsContact O-N 3.14Å; N687-K689 WeakPolarHBondContact OD1-CB 3.07Å; N687-K689 PolarHBondContact OD1-N 3.11Å; K689-A691 PolarHBondContact O-N 3.19Å
690	N	97.4	Very high	96.6	Very high	69 Å²	69	51 Å²	51	37%	0.369	24%	0.24	S	C	.	.			trans	-85	88.4	171.7	-173.5	-22.4	0	0	0	109.5	N687 I688 E692 Q693 Y694	N687-N690 HydrophobicContact CB-CB 4.2Å; N687-N690 WeakPolarHBondContact O-CB 3.45Å; N687-N690 PolarHBondContact O-N 3.07Å; I688-N690 VanDerWaalsContact C-N 3.29Å; N690-E692 PolarHBondContact O-N 2.6Å; N690-E692 PolarHBondContact OD1-N 3.27Å; N690-Q693 HydrophobicContact CB-CB 4.08Å; N690-Q693 PolarHBondContact O-N 3.34Å; N690-Q693 PolarHBondContact OD1-N 2.92Å; N690-Y694 WeakPolarHBondContact O-CB 3.43Å; N690-Y694 PolarHBondContact O-N 3.44Å
691	A	96.3	Very high	96.7	Very high	23 Å²	23	46.7 Å²	46.7	19%	0.19	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-31.5	-177.5	0	0	0	0	0	113.1	I551 L555 K689 C695	I551-A691 HydrophobicContact CG2-CB 3.99Å; L555-A691 HydrophobicContact CD2-CB 4.18Å; K689-A691 PolarHBondContact O-N 3.19Å; A691-C695 WeakPolarHBondContact O-CB 3.48Å; A691-C695 PolarHBondContact O-N 3.48Å
692	E	97.1	Very high	96.6	Very high	116 Å²	116	44.3 Å²	44.3	54%	0.542	21%	0.213	S	C	.	.	H	α-helix	trans	-73	-48.9	-179.2	-171.7	165	-157.2	0	0	111.8	L555 K559 N690 Y694 C695 D696	L555-E692 HydrophobicContact CD2-CB 4.31Å; K559-E692 IonicContact NZ-OE1 3.09Å; N690-E692 PolarHBondContact O-N 2.6Å; N690-E692 PolarHBondContact OD1-N 3.27Å; E692-Y694 PolarHBondContact O-N 3.14Å; E692-C695 WeakPolarHBondContact O-CB 3.4Å; E692-C695 PolarHBondContact O-N 3.41Å; E692-D696 PolarHBondContact O-N 3.11Å
693	Q	96.8	Very high	96.5	Very high	52 Å²	52	47.2 Å²	47.2	24%	0.243	23%	0.231	C	C	.	.	H	α-helix	trans	-56.4	-44.4	172.2	-172.3	-163.3	32.7	0	0	110.4	D686 N690 D696 I697	D686-Q693 PolarHBondContact OD2-NE2 2.89Å; N690-Q693 HydrophobicContact CB-CB 4.08Å; N690-Q693 PolarHBondContact O-N 3.34Å; N690-Q693 PolarHBondContact OD1-N 2.92Å; Q693-D696 PolarHBondContact O-N 2.78Å; Q693-I697 HydrophobicContact CG-CD1 3.93Å; Q693-I697 WeakPolarHBondContact O-CD1 3.41Å; Q693-I697 VanDerWaalsContact O-CG1 3.27Å; Q693-I697 WeakPolarHBondContact O-CG1 3.24Å; Q693-I697 PolarHBondContact O-N 2.87Å
694	Y	97.8	Very high	96.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.4	-45.7	-177.9	-163.3	176.8	0	0	0	111.1	R549 A552 T634 V685 N690 E692 D696 I697 L698	R549-Y694 HydrophobicContact CB-CE1 4.23Å; R549-Y694 WeakPolarHBondContact CG-OH 3.49Å; A552-Y694 HydrophobicContact CB-CD1 3.66Å; A552-Y694 HydrophobicContact CB-CD2 4.48Å; A552-Y694 HydrophobicContact CB-CE1 4.22Å; A552-Y694 HydrophobicContact CB-CG 3.78Å; T634-Y694 VanDerWaalsContact CB-OH 3.23Å; T634-Y694 WeakPolarHBondContact CB-OH 3.37Å; T634-Y694 HydrophobicContact CG2-CE2 3.93Å; T634-Y694 WeakPolarHBondContact CG2-OH 3.44Å; T634-Y694 PolarHBondContact OG1-OH 2.86Å; V685-Y694 HydrophobicContact CB-CD2 4.37Å; V685-Y694 HydrophobicContact CG1-CD1 4.15Å; V685-Y694 HydrophobicContact CG1-CD2 3.96Å; V685-Y694 HydrophobicContact CG1-CE2 4.47Å; V685-Y694 HydrophobicContact CG1-CG 3.83Å; V685-Y694 HydrophobicContact CG2-CD2 3.44Å; V685-Y694 VanDerWaalsContact CG2-CD2 3.44Å; V685-Y694 HydrophobicContact CG2-CE2 3.56Å; V685-Y694 HydrophobicContact CG2-CG 4.2Å; N690-Y694 WeakPolarHBondContact O-CB 3.43Å; N690-Y694 PolarHBondContact O-N 3.44Å; E692-Y694 PolarHBondContact O-N 3.14Å; Y694-D696 VanDerWaalsContact C-N 3.33Å; Y694-D696 PolarHBondContact O-N 3.16Å; Y694-I697 WeakPolarHBondContact O-CB 3.47Å; Y694-I697 PolarHBondContact O-N 2.89Å; Y694-I697 VanDerWaalsContact O-N 3.14Å; Y694-L698 HydrophobicContact CD2-CD2 4.46Å; Y694-L698 HydrophobicContact CD2-CG 4.21Å; Y694-L698 HydrophobicContact CE2-CD2 3.97Å; Y694-L698 HydrophobicContact CE2-CG 4.18Å; Y694-L698 WeakPolarHBondContact O-CG 3.34Å; Y694-L698 PolarHBondContact O-N 3.28Å
695	C	97.5	Very high	96.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-54.1	-46.7	172.9	171.9	0	0	0	0	112.3	L555 Y556 A691 E692 I697 L698 Y699	L555-C695 HydrophobicContact CB-CB 4.48Å; L555-C695 HydrophobicContact CD2-CB 4.03Å; L555-C695 HydrophobicContact CG-CB 4.19Å; Y556-C695 WeakPolarHBondContact CA-SG 3.32Å; A691-C695 WeakPolarHBondContact O-CB 3.48Å; A691-C695 PolarHBondContact O-N 3.48Å; E692-C695 WeakPolarHBondContact O-CB 3.4Å; E692-C695 PolarHBondContact O-N 3.41Å; C695-I697 VanDerWaalsContact C-N 3.29Å; C695-I697 PolarHBondContact O-N 3.33Å; C695-L698 WeakPolarHBondContact O-CB 3.41Å; C695-L698 PolarHBondContact O-N 2.68Å; C695-L698 VanDerWaalsContact O-N 3.17Å; C695-Y699 PolarHBondContact O-N 3.17Å
696	D	97	Very high	95.9	Very high	48 Å²	48	53.8 Å²	53.8	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-65	-33.9	179.3	-67.9	-6.4	0	0	0	112.3	K559 Y560 E692 Q693 Y694 Y699 K700	K559-D696 IonicContact NZ-OD1 3.75Å; K559-D696 PolarHBondContact NZ-OD1 2.76Å; K559-D696 IonicContact NZ-OD2 3.55Å; Y560-D696 PolarHBondContact OH-OD1 3.26Å; E692-D696 PolarHBondContact O-N 3.11Å; Q693-D696 PolarHBondContact O-N 2.78Å; Y694-D696 VanDerWaalsContact C-N 3.33Å; Y694-D696 PolarHBondContact O-N 3.16Å; D696-Y699 PolarHBondContact O-N 3.25Å; D696-K700 WeakPolarHBondContact O-CG 3.44Å; D696-K700 PolarHBondContact O-N 3.09Å
697	I	97.6	Very high	95.8	Very high	15 Å²	15	59.9 Å²	59.9	8%	0.077	29%	0.288	C	S	.	.	H	α-helix	trans	-67.7	-40.1	174.3	-69.9	160.3	0	0	0	111.2	V657 M683 R684 V685 Q693 Y694 C695 Y699 K700 A701	V657-I697 HydrophobicContact CG1-CG2 3.8Å; M683-I697 HydrophobicContact CB-CG2 3.89Å; R684-I697 WeakPolarHBondContact O-CD1 3.28Å; V685-I697 HydrophobicContact CB-CD1 4.19Å; V685-I697 HydrophobicContact CG1-CD1 4.45Å; V685-I697 HydrophobicContact CG2-CB 4.45Å; V685-I697 HydrophobicContact CG2-CD1 3.85Å; V685-I697 HydrophobicContact CG2-CG2 4.02Å; Q693-I697 HydrophobicContact CG-CD1 3.93Å; Q693-I697 WeakPolarHBondContact O-CD1 3.41Å; Q693-I697 VanDerWaalsContact O-CG1 3.27Å; Q693-I697 WeakPolarHBondContact O-CG1 3.24Å; Q693-I697 PolarHBondContact O-N 2.87Å; Y694-I697 WeakPolarHBondContact O-CB 3.47Å; Y694-I697 PolarHBondContact O-N 2.89Å; Y694-I697 VanDerWaalsContact O-N 3.14Å; C695-I697 VanDerWaalsContact C-N 3.29Å; C695-I697 PolarHBondContact O-N 3.33Å; I697-Y699 VanDerWaalsContact C-N 3.3Å; I697-Y699 PolarHBondContact O-N 3.41Å; I697-K700 PolarHBondContact O-N 2.95Å; I697-A701 PolarHBondContact O-N 2.84Å
698	L	97.3	Very high	95.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-41.4	174.1	-63.7	177.1	0	0	0	111	F534 A552 L553 Y556 L632 Y694 C695 A701 A702	F534-L698 HydrophobicContact CE1-CD2 4.21Å; A552-L698 HydrophobicContact CB-CD1 4.5Å; L553-L698 HydrophobicContact CD2-CD1 3.76Å; Y556-L698 HydrophobicContact CD2-CB 3.88Å; Y556-L698 HydrophobicContact CE2-CB 4.1Å; L632-L698 HydrophobicContact CD1-CD2 4.16Å; L632-L698 HydrophobicContact CD2-CD2 3.62Å; Y694-L698 HydrophobicContact CD2-CD2 4.46Å; Y694-L698 HydrophobicContact CD2-CG 4.21Å; Y694-L698 HydrophobicContact CE2-CD2 3.97Å; Y694-L698 HydrophobicContact CE2-CG 4.18Å; Y694-L698 WeakPolarHBondContact O-CG 3.34Å; Y694-L698 PolarHBondContact O-N 3.28Å; C695-L698 WeakPolarHBondContact O-CB 3.41Å; C695-L698 PolarHBondContact O-N 2.68Å; C695-L698 VanDerWaalsContact O-N 3.17Å; L698-A701 PolarHBondContact O-N 3.37Å; L698-A702 PolarHBondContact O-N 3.04Å
699	Y	97.3	Very high	95.6	Very high	77 Å²	77	55.9 Å²	55.9	30%	0.302	27%	0.269	S	S	.	.	H	α-helix	trans	-63.4	-44.3	174.7	-178.6	-95.8	0	0	0	112.6	Y556 Y560 R563 C695 D696 I697 A701 A702 T703	Y556-Y699 HydrophobicContact CE2-CD2 4.48Å; Y560-Y699 AromaticContact CD1-CD2 3.46Å; Y560-Y699 HydrophobicContact CD1-CD2 3.46Å; Y560-Y699 VanDerWaalsContact CD1-CD2 3.46Å; Y560-Y699 AromaticContact CD1-CE2 3.58Å; Y560-Y699 HydrophobicContact CD1-CE2 3.58Å; Y560-Y699 HydrophobicContact CD1-CG 4.21Å; Y560-Y699 AromaticContact CD2-CD2 3.85Å; Y560-Y699 HydrophobicContact CD2-CD2 3.85Å; Y560-Y699 HydrophobicContact CD2-CG 4.24Å; Y560-Y699 HydrophobicContact CE1-CD1 4.3Å; Y560-Y699 AromaticContact CE1-CD2 3.57Å; Y560-Y699 HydrophobicContact CE1-CD2 3.57Å; Y560-Y699 HydrophobicContact CE1-CE1 4.48Å; Y560-Y699 AromaticContact CE1-CE2 3.77Å; Y560-Y699 HydrophobicContact CE1-CE2 3.77Å; Y560-Y699 AromaticContact CE1-CG 3.85Å; Y560-Y699 HydrophobicContact CE1-CG 3.85Å; Y560-Y699 AromaticContact CE2-CD2 3.93Å; Y560-Y699 HydrophobicContact CE2-CD2 3.93Å; Y560-Y699 AromaticContact CE2-CG 3.88Å; Y560-Y699 HydrophobicContact CE2-CG 3.88Å; Y560-Y699 AromaticContact CG-CD2 3.61Å; Y560-Y699 HydrophobicContact CG-CD2 3.61Å; Y560-Y699 HydrophobicContact CG-CE2 4.11Å; Y560-Y699 HydrophobicContact CG-CG 4.38Å; Y560-Y699 AromaticContact CZ-CD2 3.79Å; Y560-Y699 AromaticContact CZ-CG 3.67Å; R563-Y699 HydrophobicContact CG-CD2 4.22Å; R563-Y699 HydrophobicContact CG-CE2 4.06Å; C695-Y699 PolarHBondContact O-N 3.17Å; D696-Y699 PolarHBondContact O-N 3.25Å; I697-Y699 VanDerWaalsContact C-N 3.3Å; I697-Y699 PolarHBondContact O-N 3.41Å; Y699-A701 VanDerWaalsContact C-N 3.32Å; Y699-A701 PolarHBondContact O-N 2.96Å; Y699-A702 WeakPolarHBondContact O-CB 3.17Å; Y699-A702 PolarHBondContact O-N 3.29Å; Y699-A702 VanDerWaalsContact O-N 3.15Å; Y699-T703 HydrophobicContact CD1-CG2 4.32Å; Y699-T703 HydrophobicContact CD2-CG2 4.39Å; Y699-T703 HydrophobicContact CE1-CG2 3.87Å; Y699-T703 HydrophobicContact CE2-CG2 3.96Å; Y699-T703 WeakPolarHBondContact O-CB 3.22Å; Y699-T703 WeakPolarHBondContact O-CG2 3.27Å; Y699-T703 PolarHBondContact O-N 3.21Å; Y699-T703 PolarHBondContact O-OG1 2.94Å
700	K	96.1	Very high	95.6	Very high	121 Å²	121	50.1 Å²	50.1	53%	0.526	25%	0.248	S	C	.	.	H	α-helix	trans	-59.5	-42	173.9	-73.9	172	-176.8	174	0	112.1	M683 D696 I697 A702 T703 E704	M683-K700 HydrophobicContact SD-CB 4.46Å; D696-K700 WeakPolarHBondContact O-CG 3.44Å; D696-K700 PolarHBondContact O-N 3.09Å; I697-K700 PolarHBondContact O-N 2.95Å; K700-A702 VanDerWaalsContact C-N 3.34Å; K700-T703 WeakPolarHBondContact CA-OG1 3.43Å; K700-T703 PolarHBondContact O-N 3.48Å; K700-T703 PolarHBondContact O-OG1 3.36Å; K700-E704 PolarHBondContact O-N 2.91Å
701	A	96.2	Very high	95.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-39	174.9	0	0	0	0	0	111.8	I630 R655 V657 M683 I697 L698 Y699 T703	I630-A701 HydrophobicContact CD1-CB 4.06Å; I630-A701 WeakPolarHBondContact CD1-O 3.29Å; I630-A701 HydrophobicContact CG2-CB 4.14Å; R655-A701 WeakPolarHBondContact CD-O 3.33Å; R655-A701 PolarHBondContact NE-O 3.37Å; V657-A701 HydrophobicContact CG2-CB 3.76Å; M683-A701 HydrophobicContact CG-CB 4.32Å; I697-A701 PolarHBondContact O-N 2.84Å; L698-A701 PolarHBondContact O-N 3.37Å; Y699-A701 VanDerWaalsContact C-N 3.32Å; Y699-A701 PolarHBondContact O-N 2.96Å; A701-T703 VanDerWaalsContact C-N 3.26Å; A701-T703 PolarHBondContact O-N 2.84Å
702	A	95.8	Very high	95.5	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.025	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-30.4	176.6	0	0	0	0	0	113.4	F534 L698 Y699 K700	F534-A702 HydrophobicContact CE2-CB 4.47Å; F534-A702 HydrophobicContact CZ-CB 3.99Å; L698-A702 PolarHBondContact O-N 3.04Å; Y699-A702 WeakPolarHBondContact O-CB 3.17Å; Y699-A702 PolarHBondContact O-N 3.29Å; Y699-A702 VanDerWaalsContact O-N 3.15Å; K700-A702 VanDerWaalsContact C-N 3.34Å
703	T	94.6	Very high	95.4	Very high	69 Å²	69	48 Å²	48	42%	0.423	23%	0.226	S	C	.	.	H	α-helix	trans	-105.1	-9	-169.5	52	0	0	0	0	114.7	Y699 K700 A701	Y699-T703 HydrophobicContact CD1-CG2 4.32Å; Y699-T703 HydrophobicContact CD2-CG2 4.39Å; Y699-T703 HydrophobicContact CE1-CG2 3.87Å; Y699-T703 HydrophobicContact CE2-CG2 3.96Å; Y699-T703 WeakPolarHBondContact O-CB 3.22Å; Y699-T703 WeakPolarHBondContact O-CG2 3.27Å; Y699-T703 PolarHBondContact O-N 3.21Å; Y699-T703 PolarHBondContact O-OG1 2.94Å; K700-T703 WeakPolarHBondContact CA-OG1 3.43Å; K700-T703 PolarHBondContact O-N 3.48Å; K700-T703 PolarHBondContact O-OG1 3.36Å; A701-T703 VanDerWaalsContact C-N 3.26Å; A701-T703 PolarHBondContact O-N 2.84Å
704	E	93.7	Very high	95.3	Very high	38 Å²	38	52.6 Å²	52.6	18%	0.178	24%	0.241	C	C	.	.	S	Bend	trans	-59.1	143.5	175.8	171.9	179.9	-112.3	0	0	111.7	R655 M683 K700 A708 H712	R655-E704 WeakPolarHBondContact CD-OE2 3.37Å; R655-E704 WeakPolarHBondContact CG-OE2 3.3Å; R655-E704 PolarHBondContact NE-O 2.91Å; R655-E704 IonicContact NE-OE2 2.67Å; R655-E704 PolarHBondContact NE-OE2 3.49Å; R655-E704 PolarHBondContact NH2-O 3.47Å; M683-E704 HydrophobicContact CE-CB 4.31Å; M683-E704 WeakPolarHBondContact CE-OE1 3.49Å; K700-E704 PolarHBondContact O-N 2.91Å; E704-A708 HydrophobicContact CG-CB 4.28Å; E704-H712 IonicContact OE1-CE1 2.89Å; E704-H712 IonicContact OE1-ND1 2.76Å
705	E	93.2	Very high	95.2	Very high	103 Å²	103	58.5 Å²	58.5	48%	0.481	26%	0.264	S	S	.	.			trans	-67	135.6	-177.8	-160	-118.1	140.9	0	0	111.7	R707 A708 A709	E705-R707 VanDerWaalsContact C-N 3.28Å; E705-R707 PolarHBondContact O-N 3.23Å; E705-R707 VanDerWaalsContact OE1-CB 3.25Å; E705-R707 WeakPolarHBondContact OE1-CB 3.47Å; E705-R707 VanDerWaalsContact OE1-CD 3.28Å; E705-R707 WeakPolarHBondContact OE1-CD 3.31Å; E705-R707 WeakPolarHBondContact OE1-CG 3.15Å; E705-A708 HydrophobicContact CB-CB 4.45Å; E705-A708 PolarHBondContact O-N 3.21Å; E705-A708 VanDerWaalsContact O-N 3.16Å; E705-A709 PolarHBondContact O-N 3.12Å; E705-A709 VanDerWaalsContact O-N 3.13Å
706	P	91.5	Very high	95.2	Very high	82 Å²	82	58.5 Å²	58.5	53%	0.532	26%	0.264	S	S	.	.	H	α-helix	trans	-58.1	-32.3	-176.8	-28	35.9	0	0	0	115.4	A710	P706-A710 WeakPolarHBondContact O-CB 3.35Å; P706-A710 PolarHBondContact O-N 3.2Å
707	R	92.7	Very high	95.1	Very high	199 Å²	199	58 Å²	58	75%	0.751	26%	0.26	S	S	*	.	H	α-helix	trans	-69.7	-40.3	178	-63.4	177.3	175	171.3	-1.1	111.7	E705 A710 R711	E705-R707 VanDerWaalsContact C-N 3.28Å; E705-R707 PolarHBondContact O-N 3.23Å; E705-R707 VanDerWaalsContact OE1-CB 3.25Å; E705-R707 WeakPolarHBondContact OE1-CB 3.47Å; E705-R707 VanDerWaalsContact OE1-CD 3.28Å; E705-R707 WeakPolarHBondContact OE1-CD 3.31Å; E705-R707 WeakPolarHBondContact OE1-CG 3.15Å; R707-A710 PolarHBondContact O-N 3.26Å; R707-R711 WeakPolarHBondContact O-CB 3.46Å; R707-R711 PolarHBondContact O-N 3.41Å
708	A	93.2	Very high	95	Very high	16 Å²	16	62 Å²	62	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-50.3	174	0	0	0	0	0	111	E704 E705 A710 R711 H712	E704-A708 HydrophobicContact CG-CB 4.28Å; E705-A708 HydrophobicContact CB-CB 4.45Å; E705-A708 PolarHBondContact O-N 3.21Å; E705-A708 VanDerWaalsContact O-N 3.16Å; A708-A710 PolarHBondContact O-N 2.9Å; A708-R711 WeakPolarHBondContact O-CB 3.38Å; A708-R711 PolarHBondContact O-N 3.12Å; A708-R711 VanDerWaalsContact O-N 3.08Å; A708-H712 VanDerWaalsContact O-CG 3.29Å; A708-H712 PolarHBondContact O-N 3.45Å
709	A	93.3	Very high	94.9	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-55.6	-46.8	177.4	0	0	0	0	0	112.9	R655 E705 R711 H712 G713	R655-A709 HydrophobicContact CG-CB 3.48Å; R655-A709 VanDerWaalsContact CG-CB 3.48Å; E705-A709 PolarHBondContact O-N 3.12Å; E705-A709 VanDerWaalsContact O-N 3.13Å; A709-R711 VanDerWaalsContact C-N 3.33Å; A709-R711 PolarHBondContact O-N 3.15Å; A709-H712 PolarHBondContact O-N 3.28Å; A709-G713 PolarHBondContact O-N 2.93Å
710	A	94.4	Very high	94.7	Very high	21 Å²	21	60.1 Å²	60.1	17%	0.174	27%	0.272	C	S	.	.	H	α-helix	trans	-66.6	-32.7	178.4	0	0	0	0	0	113	P706 R707 A708 R714	P706-A710 WeakPolarHBondContact O-CB 3.35Å; P706-A710 PolarHBondContact O-N 3.2Å; R707-A710 PolarHBondContact O-N 3.26Å; A708-A710 PolarHBondContact O-N 2.9Å; A710-R714 WeakPolarHBondContact O-CB 3.28Å; A710-R714 WeakPolarHBondContact O-CG 3.42Å; A710-R714 PolarHBondContact O-N 2.92Å
711	R	95.5	Very high	94.5	Very high	145 Å²	145	57.5 Å²	57.5	55%	0.547	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-46.4	173	180	174.5	69	-146.1	-0.6	110.6	E679 R707 A708 A709 R715	E679-R711 IonicContact OE1-CZ 2.94Å; E679-R711 VanDerWaalsContact OE1-CZ 3.24Å; E679-R711 IonicContact OE1-NE 2.79Å; E679-R711 PolarHBondContact OE1-NE 2.9Å; E679-R711 IonicContact OE1-NH2 3.9Å; E679-R711 PolarHBondContact OE1-NH2 3.43Å; E679-R711 IonicContact OE2-NE 3.18Å; R707-R711 WeakPolarHBondContact O-CB 3.46Å; R707-R711 PolarHBondContact O-N 3.41Å; A708-R711 WeakPolarHBondContact O-CB 3.38Å; A708-R711 PolarHBondContact O-N 3.12Å; A708-R711 VanDerWaalsContact O-N 3.08Å; A709-R711 VanDerWaalsContact C-N 3.33Å; A709-R711 PolarHBondContact O-N 3.15Å; R711-R715 PolarHBondContact O-N 2.99Å
712	H	96.2	Very high	94.2	Very high	15 Å²	15	62.6 Å²	62.6	7%	0.069	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-52.2	-179.2	-63	163.5	0	0	0	112.4	E679 K680 Y681 E704 A708 A709 R714 R715 L716	E679-H712 IonicContact OE1-CD2 3.71Å; E679-H712 PolarHBondContact OE1-CD2 3.18Å; E679-H712 IonicContact OE1-CE1 3.32Å; E679-H712 IonicContact OE1-NE2 3.46Å; E679-H712 PolarHBondContact OE1-NE2 3.32Å; K680-H712 PolarHBondContact O-CE1 3.08Å; Y681-H712 HydrophobicContact CD1-CB 4.38Å; Y681-H712 WeakPolarHBondContact O-CB 3.3Å; E704-H712 IonicContact OE1-CE1 2.89Å; E704-H712 IonicContact OE1-ND1 2.76Å; A708-H712 VanDerWaalsContact O-CG 3.29Å; A708-H712 PolarHBondContact O-N 3.45Å; A709-H712 PolarHBondContact O-N 3.28Å; H712-R714 VanDerWaalsContact C-N 3.33Å; H712-R714 PolarHBondContact O-N 3.4Å; H712-R715 PolarHBondContact O-N 2.89Å; H712-R715 VanDerWaalsContact O-N 3.09Å; H712-L716 PolarHBondContact O-N 2.84Å
713	G	95.6	Very high	93.9	Very high	2 Å²	2	64.1 Å²	64.1	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-37.4	-178.2	0	0	0	0	0	112.9	P652 A709 R715 L716 Q717	P652-G713 CarbonylContact O-C 3.57Å; P652-G713 VanDerWaalsContact O-C 3.25Å; P652-G713 WeakPolarHBondContact O-CA 3.39Å; A709-G713 PolarHBondContact O-N 2.93Å; G713-R715 PolarHBondContact O-N 3.21Å; G713-L716 PolarHBondContact O-N 3.33Å; G713-Q717 WeakPolarHBondContact O-CB 3.46Å; G713-Q717 PolarHBondContact O-N 2.86Å
714	R	95.4	Very high	93.6	Very high	150 Å²	150	62.4 Å²	62.4	57%	0.566	29%	0.289	S	S	*	.	H	α-helix	trans	-60.7	-42.5	172.4	-78.7	177.9	-173.4	180	2.9	112.8	P652 A710 H712 Q717 Q718	P652-R714 HydrophobicContact CB-CG 4.19Å; P652-R714 PolarHBondContact O-N 3.45Å; A710-R714 WeakPolarHBondContact O-CB 3.28Å; A710-R714 WeakPolarHBondContact O-CG 3.42Å; A710-R714 PolarHBondContact O-N 2.92Å; H712-R714 VanDerWaalsContact C-N 3.33Å; H712-R714 PolarHBondContact O-N 3.4Å; R714-Q717 PolarHBondContact O-N 2.76Å; R714-Q718 WeakPolarHBondContact O-CG 3.46Å; R714-Q718 PolarHBondContact O-N 3.41Å
715	R	95.6	Very high	93.3	Very high	123 Å²	123	60.8 Å²	60.8	46%	0.464	28%	0.281	S	S	.	.	H	α-helix	trans	-66.6	-41.6	179.6	-171.1	74.2	177.8	144.2	-2.6	111.1	F673 Y681 R711 H712 G713 Q718 F719	F673-R715 HydrophobicContact CD1-CG 4.49Å; F673-R715 HydrophobicContact CE1-CG 3.63Å; F673-R715 HydrophobicContact CZ-CG 4.47Å; Y681-R715 HydrophobicContact CD1-CB 3.83Å; Y681-R715 HydrophobicContact CD1-CG 4Å; Y681-R715 HydrophobicContact CE1-CB 3.74Å; Y681-R715 HydrophobicContact CE1-CG 3.61Å; R711-R715 PolarHBondContact O-N 2.99Å; H712-R715 PolarHBondContact O-N 2.89Å; H712-R715 VanDerWaalsContact O-N 3.09Å; G713-R715 PolarHBondContact O-N 3.21Å; R715-Q718 VanDerWaalsContact NH1-OE1 3.16Å; R715-Q718 PolarHBondContact O-N 3.22Å; R715-F719 PolarHBondContact O-N 3.38Å
716	L	96.5	Very high	92.9	Very high	1 Å²	1	58 Å²	58	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-39.8	175	-65.5	177.2	0	0	0	111.9	L648 L668 F673 Y681 H712 G713 Q718 F719 I720	L648-L716 HydrophobicContact CD1-CB 3.6Å; L648-L716 HydrophobicContact CD1-CD1 3.56Å; L648-L716 HydrophobicContact CD1-CG 4.23Å; L668-L716 HydrophobicContact CD1-CD2 3.88Å; L668-L716 HydrophobicContact CD2-CD2 3.68Å; L668-L716 HydrophobicContact CG-CD2 4.38Å; F673-L716 HydrophobicContact CB-CD2 4.12Å; F673-L716 HydrophobicContact CD1-CD2 3.69Å; F673-L716 HydrophobicContact CD2-CD2 4.27Å; F673-L716 HydrophobicContact CE1-CD2 4.19Å; F673-L716 HydrophobicContact CG-CD2 3.74Å; Y681-L716 WeakPolarHBondContact O-CD1 3.45Å; H712-L716 PolarHBondContact O-N 2.84Å; G713-L716 PolarHBondContact O-N 3.33Å; L716-Q718 PolarHBondContact O-N 2.83Å; L716-F719 WeakPolarHBondContact O-CB 3.26Å; L716-F719 PolarHBondContact O-N 3.39Å; L716-F719 VanDerWaalsContact O-N 3.15Å; L716-I720 WeakPolarHBondContact O-CG1 3.31Å; L716-I720 PolarHBondContact O-N 3.49Å
717	Q	96.2	Very high	92.5	Very high	38 Å²	38	57.7 Å²	57.7	18%	0.178	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-45	174.5	-172.4	-169.4	43.5	0	0	111.4	L649 P652 G713 R714 F719 I720 V721	L649-Q717 PolarHBondContact O-NE2 2.96Å; P652-Q717 HydrophobicContact CB-CB 3.99Å; P652-Q717 HydrophobicContact CB-CG 4.31Å; G713-Q717 WeakPolarHBondContact O-CB 3.46Å; G713-Q717 PolarHBondContact O-N 2.86Å; R714-Q717 PolarHBondContact O-N 2.76Å; Q717-F719 PolarHBondContact O-N 3.26Å; Q717-I720 PolarHBondContact O-N 3.22Å; Q717-I720 VanDerWaalsContact O-N 3.11Å; Q717-V721 HydrophobicContact CG-CG2 4.36Å; Q717-V721 VanDerWaalsContact O-CG2 3.32Å; Q717-V721 WeakPolarHBondContact O-CG2 3.28Å; Q717-V721 PolarHBondContact O-N 2.93Å
718	Q	94.4	Very high	92.3	Very high	98 Å²	98	48.5 Å²	48.5	46%	0.458	22%	0.224	S	C	.	.	H	α-helix	trans	-56.7	-39.7	174.5	-73.7	173.3	-7.8	0	0	112.1	R714 R715 L716 N722	R714-Q718 WeakPolarHBondContact O-CG 3.46Å; R714-Q718 PolarHBondContact O-N 3.41Å; R715-Q718 VanDerWaalsContact NH1-OE1 3.16Å; R715-Q718 PolarHBondContact O-N 3.22Å; L716-Q718 PolarHBondContact O-N 2.83Å; Q718-N722 PolarHBondContact O-N 3.05Å; Q718-N722 VanDerWaalsContact O-N 3.17Å; Q718-N722 PolarHBondContact O-ND2 2.95Å
719	F	94.6	Very high	91.9	Very high	36 Å²	36	50 Å²	50	16%	0.158	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-43.5	175.7	177.4	-97.8	0	0	0	112.2	F664 Q667 L668 A671 F673 R715 L716 Q717 N722 N723	F664-F719 HydrophobicContact CE2-CD1 4.5Å; F664-F719 HydrophobicContact CE2-CE1 4.35Å; Q667-F719 HydrophobicContact CG-CE1 4.07Å; Q667-F719 HydrophobicContact CG-CZ 4.03Å; L668-F719 HydrophobicContact CD2-CD1 3.82Å; L668-F719 HydrophobicContact CD2-CE1 3.98Å; A671-F719 HydrophobicContact CB-CD2 4.46Å; A671-F719 HydrophobicContact CB-CE2 3.71Å; A671-F719 HydrophobicContact CB-CZ 3.93Å; F673-F719 HydrophobicContact CE2-CB 3.89Å; F673-F719 HydrophobicContact CE2-CD1 4.27Å; F673-F719 AromaticContact CE2-CD2 3.6Å; F673-F719 HydrophobicContact CE2-CD2 3.6Å; F673-F719 HydrophobicContact CE2-CE2 4.16Å; F673-F719 AromaticContact CE2-CG 3.65Å; F673-F719 HydrophobicContact CE2-CG 3.65Å; F673-F719 HydrophobicContact CZ-CB 3.77Å; F673-F719 HydrophobicContact CZ-CD2 4.09Å; F673-F719 HydrophobicContact CZ-CG 4.05Å; R715-F719 PolarHBondContact O-N 3.38Å; L716-F719 WeakPolarHBondContact O-CB 3.26Å; L716-F719 PolarHBondContact O-N 3.39Å; L716-F719 VanDerWaalsContact O-N 3.15Å; Q717-F719 PolarHBondContact O-N 3.26Å; F719-N722 PolarHBondContact O-N 3.29Å; F719-N723 WeakPolarHBondContact CE2-ND2 3.35Å; F719-N723 PolarHBondContact O-N 3.06Å; F719-N723 PolarHBondContact O-ND2 3.21Å
720	I	93.9	Very high	91.3	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-64.4	-43.4	177.2	-63.7	159.1	0	0	0	110.7	K645 L648 L649 F664 L716 Q717 N722 N723	K645-I720 HydrophobicContact CB-CD1 4.27Å; K645-I720 HydrophobicContact CB-CG1 4.46Å; K645-I720 HydrophobicContact CB-CG2 4.22Å; K645-I720 HydrophobicContact CG-CD1 4.49Å; K645-I720 HydrophobicContact CG-CG1 4.39Å; L648-I720 HydrophobicContact CB-CD1 3.76Å; L648-I720 HydrophobicContact CD1-CD1 4.28Å; L649-I720 HydrophobicContact CD1-CG2 4.44Å; F664-I720 HydrophobicContact CE1-CD1 4.39Å; F664-I720 HydrophobicContact CE2-CG1 4.39Å; F664-I720 HydrophobicContact CZ-CD1 3.89Å; F664-I720 HydrophobicContact CZ-CG1 3.81Å; L716-I720 WeakPolarHBondContact O-CG1 3.31Å; L716-I720 PolarHBondContact O-N 3.49Å; Q717-I720 PolarHBondContact O-N 3.22Å; Q717-I720 VanDerWaalsContact O-N 3.11Å; I720-N722 VanDerWaalsContact C-N 3.26Å; I720-N722 PolarHBondContact O-N 3.33Å; I720-N723 CarbonylContact O-C 3.55Å; I720-N723 PolarHBondContact O-N 3.03Å
721	V	91.6	Very high	90.7	Very high	65 Å²	65	57.8 Å²	57.8	39%	0.394	26%	0.261	S	S	.	.	H	α-helix	trans	-58	-39.4	178.3	169.8	0	0	0	0	111.6	N502 L649 Q717 N723	N502-V721 WeakPolarHBondContact ND2-CA 3.46Å; N502-V721 PolarHBondContact ND2-O 3.36Å; L649-V721 HydrophobicContact CD1-CG2 3.97Å; Q717-V721 HydrophobicContact CG-CG2 4.36Å; Q717-V721 VanDerWaalsContact O-CG2 3.32Å; Q717-V721 WeakPolarHBondContact O-CG2 3.28Å; Q717-V721 PolarHBondContact O-N 2.93Å; V721-N723 VanDerWaalsContact C-N 3.3Å; V721-N723 PolarHBondContact O-N 3Å
722	N	89.9	Confident	90.3	Very high	108 Å²	108	50.9 Å²	50.9	58%	0.578	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.5	179	-67.6	-24	0	0	0	114.5	Q718 F719 I720 K727	Q718-N722 PolarHBondContact O-N 3.05Å; Q718-N722 VanDerWaalsContact O-N 3.17Å; Q718-N722 PolarHBondContact O-ND2 2.95Å; F719-N722 PolarHBondContact O-N 3.29Å; I720-N722 VanDerWaalsContact C-N 3.26Å; I720-N722 PolarHBondContact O-N 3.33Å; N722-K727 WeakPolarHBondContact O-CD 3.33Å; N722-K727 PolarHBondContact O-NZ 2.85Å
723	N	89.5	Confident	89.7	Confident	35 Å²	35	52.6 Å²	52.6	19%	0.187	25%	0.245	C	C	.	.	S	Bend	trans	-137.6	64.1	-179.4	-63.6	-78.6	0	0	0	109.2	S499 F719 I720 V721 K727	S499-N723 WeakPolarHBondContact CB-O 3.49Å; S499-N723 PolarHBondContact OG-O 3.32Å; F719-N723 WeakPolarHBondContact CE2-ND2 3.35Å; F719-N723 PolarHBondContact O-N 3.06Å; F719-N723 PolarHBondContact O-ND2 3.21Å; I720-N723 CarbonylContact O-C 3.55Å; I720-N723 PolarHBondContact O-N 3.03Å; V721-N723 VanDerWaalsContact C-N 3.3Å; V721-N723 PolarHBondContact O-N 3Å; N723-K727 PolarHBondContact OD1-NZ 2.84Å
724	D	88.3	Confident	88.7	Confident	32 Å²	32	55.2 Å²	55.2	17%	0.171	26%	0.258	C	S	.	.			trans	-84.1	-177.7	179.7	77.2	-21.6	0	0	0	112.1	N502 E726 K727 W728	N502-D724 WeakPolarHBondContact ND2-CB 3.37Å; D724-E726 VanDerWaalsContact C-N 3.27Å; D724-E726 PolarHBondContact O-N 3.03Å; D724-E726 PolarHBondContact OD1-N 2.84Å; D724-E726 WeakPolarHBondContact OD2-CB 3.11Å; D724-K727 WeakPolarHBondContact OD1-CB 2.89Å; D724-K727 PolarHBondContact OD1-N 3.06Å; D724-W728 PolarHBondContact O-N 3.14Å
725	I	88.6	Confident	87.2	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-31	179.2	-168.8	65.5	0	0	0	112.8	T259 P263 V498 S499 V500 K501 W728 R729	T259-I725 WeakPolarHBondContact O-CG1 3.47Å; P263-I725 HydrophobicContact CG-CG1 4.4Å; P263-I725 HydrophobicContact CG-CG2 4.38Å; V498-I725 HydrophobicContact CG2-CD1 3.63Å; S499-I725 VanDerWaalsContact O-CD1 3.32Å; S499-I725 WeakPolarHBondContact O-CD1 3.24Å; V500-I725 PolarHBondContact O-N 2.82Å; K501-I725 HydrophobicContact CB-CG2 3.87Å; K501-I725 HydrophobicContact CG-CG2 4.25Å; I725-W728 HydrophobicContact CD1-CD2 4.15Å; I725-W728 HydrophobicContact CD1-CE3 3.5Å; I725-W728 VanDerWaalsContact CD1-CE3 3.5Å; I725-W728 HydrophobicContact CD1-CZ3 4.01Å; I725-W728 HydrophobicContact CG1-CE3 4.29Å; I725-W728 WeakPolarHBondContact O-CB 3.31Å; I725-W728 PolarHBondContact O-N 3.32Å; I725-R729 PolarHBondContact O-N 3.41Å
726	E	84.1	Confident	85.6	Confident	46 Å²	46	46.8 Å²	46.8	22%	0.215	24%	0.236	C	C	.	.	H	α-helix	trans	-68.3	-42.7	-178.9	-177.7	50.5	-143	0	0	111	D724 W728 R729 Q730	D724-E726 VanDerWaalsContact C-N 3.27Å; D724-E726 PolarHBondContact O-N 3.03Å; D724-E726 PolarHBondContact OD1-N 2.84Å; D724-E726 WeakPolarHBondContact OD2-CB 3.11Å; E726-W728 VanDerWaalsContact C-N 3.34Å; E726-W728 PolarHBondContact O-N 3.4Å; E726-R729 VanDerWaalsContact CD-NE 3.3Å; E726-R729 WeakPolarHBondContact O-CB 3.32Å; E726-R729 PolarHBondContact O-N 3.44Å; E726-R729 IonicContact OE1-CZ 3.17Å; E726-R729 IonicContact OE1-NE 3.81Å; E726-R729 PolarHBondContact OE1-NE 3.36Å; E726-R729 IonicContact OE1-NH2 3.24Å; E726-R729 PolarHBondContact OE1-NH2 2.96Å; E726-R729 IonicContact OE2-CZ 2.77Å; E726-R729 IonicContact OE2-NE 3.95Å; E726-R729 PolarHBondContact OE2-NE 3.18Å; E726-R729 IonicContact OE2-NH1 3.28Å; E726-R729 IonicContact OE2-NH2 2.99Å; E726-R729 PolarHBondContact OE2-NH2 3.43Å; E726-R729 VanDerWaalsContact OE2-NH2 3.15Å; E726-Q730 WeakPolarHBondContact O-CB 3.48Å; E726-Q730 VanDerWaalsContact O-CG 3.28Å; E726-Q730 WeakPolarHBondContact O-CG 3.45Å; E726-Q730 PolarHBondContact O-N 3.45Å; E726-Q730 WeakPolarHBondContact OE1-CG 3.42Å; E726-Q730 PolarHBondContact OE1-NE2 3.32Å
727	K	83.9	Confident	84.1	Confident	75 Å²	75	48.4 Å²	48.4	33%	0.326	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-41.2	173.1	-171.5	-178.4	-170.5	-179.5	0	112.4	N722 N723 D724 Q730 N731	N722-K727 WeakPolarHBondContact O-CD 3.33Å; N722-K727 PolarHBondContact O-NZ 2.85Å; N723-K727 PolarHBondContact OD1-NZ 2.84Å; D724-K727 WeakPolarHBondContact OD1-CB 2.89Å; D724-K727 PolarHBondContact OD1-N 3.06Å; K727-Q730 PolarHBondContact O-N 3.21Å; K727-N731 WeakPolarHBondContact O-CB 3.49Å; K727-N731 PolarHBondContact O-N 2.95Å; K727-N731 PolarHBondContact O-ND2 3.35Å
728	W	88.7	Confident	82.3	Confident	6 Å²	6	47.6 Å²	47.6	2%	0.023	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-47.8	174.3	169.1	83.9	0	0	0	111.2	C260 W392 F417 F496 V498 D724 I725 E726 N731 Y732	C260-W728 HydrophobicContact CB-CH2 3.68Å; C260-W728 HydrophobicContact CB-CZ3 3.81Å; C260-W728 WeakPolarHBondContact O-CZ3 3.24Å; W392-W728 AromaticContact CH2-CH2 3.32Å; W392-W728 HydrophobicContact CH2-CH2 3.32Å; W392-W728 HydrophobicContact CH2-CZ2 4.28Å; W392-W728 AromaticContact CH2-CZ3 3.58Å; W392-W728 HydrophobicContact CH2-CZ3 3.58Å; W392-W728 AromaticContact CZ2-CH2 3.33Å; W392-W728 HydrophobicContact CZ2-CH2 3.33Å; W392-W728 AromaticContact CZ2-CZ2 3.88Å; W392-W728 HydrophobicContact CZ2-CZ2 3.88Å; W392-W728 HydrophobicContact CZ2-CZ3 4.04Å; F417-W728 AromaticContact CD1-CZ2 4Å; F417-W728 HydrophobicContact CD1-CZ2 4Å; F417-W728 HydrophobicContact CD2-CZ2 4.07Å; F417-W728 AromaticContact CE1-CZ2 3.94Å; F417-W728 HydrophobicContact CE1-CZ2 3.94Å; F417-W728 HydrophobicContact CE2-CZ2 4.08Å; F417-W728 AromaticContact CE2-NE1 3.5Å; F417-W728 HydrophobicContact CG-CZ2 4.06Å; F417-W728 HydrophobicContact CZ-CZ2 4Å; F417-W728 AromaticContact CZ-NE1 3.37Å; F496-W728 PolarHBondContact O-NE1 3.46Å; V498-W728 HydrophobicContact CB-CD2 4.45Å; V498-W728 HydrophobicContact CB-CG 4.45Å; V498-W728 HydrophobicContact CG2-CD2 4.1Å; V498-W728 HydrophobicContact CG2-CE3 4.43Å; V498-W728 HydrophobicContact CG2-CG 4.43Å; V498-W728 HydrophobicContact CG2-CZ2 4.44Å; D724-W728 PolarHBondContact O-N 3.14Å; I725-W728 HydrophobicContact CD1-CD2 4.15Å; I725-W728 HydrophobicContact CD1-CE3 3.5Å; I725-W728 VanDerWaalsContact CD1-CE3 3.5Å; I725-W728 HydrophobicContact CD1-CZ3 4.01Å; I725-W728 HydrophobicContact CG1-CE3 4.29Å; I725-W728 WeakPolarHBondContact O-CB 3.31Å; I725-W728 PolarHBondContact O-N 3.32Å; E726-W728 VanDerWaalsContact C-N 3.34Å; E726-W728 PolarHBondContact O-N 3.4Å; W728-N731 PolarHBondContact O-N 3.48Å; W728-Y732 WeakPolarHBondContact O-CB 3.39Å; W728-Y732 PolarHBondContact O-N 2.96Å
729	R	84.2	Confident	80.5	Confident	46 Å²	46	44 Å²	44	17%	0.174	22%	0.223	C	C	.	.	H	α-helix	trans	-56	-53.4	176	175.3	-176.6	79.7	155.4	9.5	111	P263 A264 D267 I725 E726 N731 Y732 L733	P263-R729 PolarHBondContact O-NH1 2.99Å; A264-R729 VanDerWaalsContact CA-CD 3.41Å; A264-R729 HydrophobicContact CB-CG 3.92Å; D267-R729 IonicContact OD2-CZ 3.72Å; D267-R729 IonicContact OD2-NH1 3.32Å; D267-R729 PolarHBondContact OD2-NH1 3.32Å; D267-R729 IonicContact OD2-NH2 3.56Å; I725-R729 PolarHBondContact O-N 3.41Å; E726-R729 VanDerWaalsContact CD-NE 3.3Å; E726-R729 WeakPolarHBondContact O-CB 3.32Å; E726-R729 PolarHBondContact O-N 3.44Å; E726-R729 IonicContact OE1-CZ 3.17Å; E726-R729 IonicContact OE1-NE 3.81Å; E726-R729 PolarHBondContact OE1-NE 3.36Å; E726-R729 IonicContact OE1-NH2 3.24Å; E726-R729 PolarHBondContact OE1-NH2 2.96Å; E726-R729 IonicContact OE2-CZ 2.77Å; E726-R729 IonicContact OE2-NE 3.95Å; E726-R729 PolarHBondContact OE2-NE 3.18Å; E726-R729 IonicContact OE2-NH1 3.28Å; E726-R729 IonicContact OE2-NH2 2.99Å; E726-R729 PolarHBondContact OE2-NH2 3.43Å; E726-R729 VanDerWaalsContact OE2-NH2 3.15Å; R729-N731 PolarHBondContact O-N 2.85Å; R729-Y732 PolarHBondContact O-N 3.4Å; R729-L733 HydrophobicContact CG-CD1 3.81Å; R729-L733 HydrophobicContact CG-CG 4.49Å; R729-L733 WeakPolarHBondContact O-CB 3.3Å; R729-L733 PolarHBondContact O-N 3.33Å
730	Q	79.2	Confident	78.8	Confident	109 Å²	109	47.2 Å²	47.2	51%	0.509	24%	0.237	S	C	.	.	H	α-helix	trans	-59.5	-46.5	-177.6	-73	173.5	5.3	0	0	111.3	E726 K727 Y732 D734	E726-Q730 WeakPolarHBondContact O-CB 3.48Å; E726-Q730 VanDerWaalsContact O-CG 3.28Å; E726-Q730 WeakPolarHBondContact O-CG 3.45Å; E726-Q730 PolarHBondContact O-N 3.45Å; E726-Q730 WeakPolarHBondContact OE1-CG 3.42Å; E726-Q730 PolarHBondContact OE1-NE2 3.32Å; K727-Q730 PolarHBondContact O-N 3.21Å; Q730-Y732 PolarHBondContact O-N 3.45Å; Q730-D734 WeakPolarHBondContact O-CB 3.43Å; Q730-D734 PolarHBondContact O-N 3.45Å
731	N	83.2	Confident	76.9	Confident	77 Å²	77	52.4 Å²	52.4	41%	0.412	26%	0.256	S	S	.	.	H	α-helix	trans	-64.5	-42	179.6	-68.9	-16.6	0	0	0	112.1	F496 K727 W728 R729	F496-N731 HydrophobicContact CD1-CB 3.84Å; F496-N731 HydrophobicContact CE1-CB 4.2Å; F496-N731 VanDerWaalsContact CE1-O 3.31Å; F496-N731 WeakPolarHBondContact CE1-O 2.91Å; K727-N731 WeakPolarHBondContact O-CB 3.49Å; K727-N731 PolarHBondContact O-N 2.95Å; K727-N731 PolarHBondContact O-ND2 3.35Å; W728-N731 PolarHBondContact O-N 3.48Å; R729-N731 PolarHBondContact O-N 2.85Å
732	Y	86.8	Confident	75.1	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-75.3	-36.9	179.9	-175.6	-86.8	0	0	0	112.6	F390 W392 G415 F416 F417 K448 F496 W728 R729 Q730 D734	F390-Y732 HydrophobicContact CE1-CE1 4.36Å; F390-Y732 HydrophobicContact CZ-CE1 4.42Å; W392-Y732 AromaticContact CD1-CE1 3.45Å; W392-Y732 VanDerWaalsContact CD1-CE1 3.45Å; W392-Y732 AromaticContact CD1-CZ 3.87Å; W392-Y732 HydrophobicContact CD2-CE1 4.22Å; W392-Y732 AromaticContact CE2-CD1 3.62Å; W392-Y732 AromaticContact CE2-CE1 3.44Å; W392-Y732 VanDerWaalsContact CE2-CE1 3.44Å; W392-Y732 HydrophobicContact CG-CE1 4.18Å; W392-Y732 AromaticContact CZ2-CD1 3.6Å; W392-Y732 HydrophobicContact CZ2-CD1 3.6Å; W392-Y732 AromaticContact CZ2-CE1 3.93Å; W392-Y732 HydrophobicContact CZ2-CE1 3.93Å; W392-Y732 HydrophobicContact CZ2-CG 4.29Å; W392-Y732 AromaticContact NE1-CD1 3.6Å; W392-Y732 AromaticContact NE1-CE1 2.94Å; W392-Y732 AromaticContact NE1-CZ 3.37Å; G415-Y732 VanDerWaalsContact C-OH 3.3Å; G415-Y732 WeakPolarHBondContact CA-OH 3.43Å; F416-Y732 PolarHBondContact N-OH 2.93Å; F416-Y732 PolarHBondContact O-OH 3.44Å; F417-Y732 HydrophobicContact CB-CE2 4.34Å; F417-Y732 AromaticContact CD2-CD2 3.68Å; F417-Y732 HydrophobicContact CD2-CD2 3.68Å; F417-Y732 AromaticContact CD2-CE2 3.68Å; F417-Y732 HydrophobicContact CD2-CE2 3.68Å; F417-Y732 HydrophobicContact CD2-CG 4.43Å; F417-Y732 HydrophobicContact CE2-CD2 4.27Å; F417-Y732 HydrophobicContact CG-CE2 4.5Å; K448-Y732 HydrophobicContact CD-CD2 4.38Å; K448-Y732 HydrophobicContact CD-CE1 4.13Å; K448-Y732 HydrophobicContact CD-CE2 4Å; K448-Y732 WeakPolarHBondContact CD-O 3.05Å; K448-Y732 WeakPolarHBondContact CE-O 3.46Å; K448-Y732 HydrophobicContact CG-CE2 4.14Å; K448-Y732 PolarHBondContact NZ-O 2.97Å; F496-Y732 HydrophobicContact CD1-CD2 4.49Å; F496-Y732 AromaticContact CD2-CD2 3.68Å; F496-Y732 HydrophobicContact CD2-CD2 3.68Å; F496-Y732 HydrophobicContact CD2-CE2 4.42Å; F496-Y732 AromaticContact CE2-CD2 3.74Å; F496-Y732 HydrophobicContact CE2-CD2 3.74Å; F496-Y732 HydrophobicContact CE2-CE2 4.29Å; F496-Y732 HydrophobicContact CG-CD2 4.05Å; F496-Y732 HydrophobicContact CZ-CD2 4.16Å; W728-Y732 WeakPolarHBondContact O-CB 3.39Å; W728-Y732 PolarHBondContact O-N 2.96Å; R729-Y732 PolarHBondContact O-N 3.4Å; Q730-Y732 PolarHBondContact O-N 3.45Å; Y732-D734 VanDerWaalsContact C-N 3.29Å
733	L	84.1	Confident	73.7	Confident	52 Å²	52	46.3 Å²	46.3	27%	0.272	22%	0.219	S	C	.	.	H	α-helix	trans	-87.9	1.6	-180	-64.6	178.7	0	0	0	113.1	L229 A264 F390 W392 R729 P735	L229-L733 HydrophobicContact CD1-CD2 4.06Å; L229-L733 HydrophobicContact CD2-CD1 3.87Å; A264-L733 HydrophobicContact CB-CD1 4.06Å; F390-L733 HydrophobicContact CD1-CD2 4.18Å; F390-L733 HydrophobicContact CE1-CD2 3.83Å; W392-L733 HydrophobicContact CD2-CD2 4.35Å; W392-L733 HydrophobicContact CE3-CD2 4.31Å; W392-L733 HydrophobicContact CZ3-CD1 4.4Å; R729-L733 HydrophobicContact CG-CD1 3.81Å; R729-L733 HydrophobicContact CG-CG 4.49Å; R729-L733 WeakPolarHBondContact O-CB 3.3Å; R729-L733 PolarHBondContact O-N 3.33Å; L733-P735 WeakPolarHBondContact O-CD 3.28Å; L733-P735 VanDerWaalsContact O-N 3.15Å
734	D	74.3	Confident	72.3	Confident	57 Å²	57	46.9 Å²	46.9	31%	0.305	23%	0.226	S	C	.	.			trans	-60.9	113.8	174.4	-178.4	4.8	0	0	0	110.8	K448 Q730 Y732 L736 W737	K448-D734 PolarHBondContact NZ-O 3.33Å; Q730-D734 WeakPolarHBondContact O-CB 3.43Å; Q730-D734 PolarHBondContact O-N 3.45Å; Y732-D734 VanDerWaalsContact C-N 3.29Å; D734-L736 PolarHBondContact O-N 3.27Å; D734-L736 VanDerWaalsContact OD1-CB 3.25Å; D734-L736 WeakPolarHBondContact OD1-CB 3.28Å; D734-L736 PolarHBondContact OD1-N 3.46Å; D734-W737 HydrophobicContact CB-CB 4.35Å; D734-W737 VanDerWaalsContact O-CB 3.3Å; D734-W737 WeakPolarHBondContact O-CB 3.46Å; D734-W737 PolarHBondContact O-N 2.91Å
735	P	64.5	Low	71.3	Confident	49 Å²	49	48 Å²	48	32%	0.318	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-66.8	-19.8	179.3	27.9	-34.9	0	0	0	113	L733 W737 R780	L733-P735 WeakPolarHBondContact O-CD 3.28Å; L733-P735 VanDerWaalsContact O-N 3.15Å; P735-W737 PolarHBondContact O-N 3.34Å; P735-R780 HydrophobicContact CB-CB 4.03Å
736	L	60.1	Low	70.6	Confident	46 Å²	46	52.4 Å²	52.4	24%	0.241	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-70.4	-16.5	176.4	-69.5	176.7	0	0	0	113.1	D734 D738 A783 N787	D734-L736 PolarHBondContact O-N 3.27Å; D734-L736 VanDerWaalsContact OD1-CB 3.25Å; D734-L736 WeakPolarHBondContact OD1-CB 3.28Å; D734-L736 PolarHBondContact OD1-N 3.46Å; L736-D738 VanDerWaalsContact C-N 3.3Å; L736-D738 PolarHBondContact O-N 2.92Å; L736-A783 HydrophobicContact CD1-CB 4.39Å; L736-A783 VanDerWaalsContact CD2-C 3.47Å; L736-A783 HydrophobicContact CD2-CB 3.2Å; L736-A783 WeakPolarHBondContact CD2-O 3.29Å; L736-A783 HydrophobicContact CG-CB 3.77Å; L736-N787 WeakPolarHBondContact CD2-ND2 3.26Å
737	W	65	Low	70.4	Confident	36 Å²	36	50.3 Å²	50.3	14%	0.136	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-79.8	-11.4	-172.2	-161.4	96.6	0	0	0	112.6	K448 K481 S492 I493 F496 D734 P735	K448-W737 HydrophobicContact CD-CE3 4.21Å; K448-W737 HydrophobicContact CG-CE3 3.97Å; K448-W737 HydrophobicContact CG-CZ3 3.85Å; K481-W737 HydrophobicContact CB-CZ2 4.2Å; K481-W737 HydrophobicContact CD-CD2 4.38Å; K481-W737 HydrophobicContact CD-CH2 4.45Å; K481-W737 HydrophobicContact CD-CZ2 3.83Å; K481-W737 WeakPolarHBondContact CE-O 3.43Å; K481-W737 HydrophobicContact CG-CH2 4.05Å; K481-W737 HydrophobicContact CG-CZ2 3.63Å; K481-W737 PolarHBondContact NZ-O 3.16Å; S492-W737 VanDerWaalsContact CB-CZ3 3.49Å; S492-W737 VanDerWaalsContact OG-CZ3 3.3Å; S492-W737 WeakPolarHBondContact OG-CZ3 3.36Å; I493-W737 WeakPolarHBondContact O-CH2 3.35Å; F496-W737 HydrophobicContact CE1-CD2 4.29Å; F496-W737 AromaticContact CE1-CE2 3.95Å; F496-W737 HydrophobicContact CE1-CZ2 4.3Å; F496-W737 AromaticContact CE1-NE1 3.95Å; F496-W737 AromaticContact CE2-CH2 3.91Å; F496-W737 HydrophobicContact CE2-CH2 3.91Å; F496-W737 AromaticContact CE2-CZ2 3.96Å; F496-W737 HydrophobicContact CE2-CZ2 3.96Å; F496-W737 HydrophobicContact CE2-CZ3 4.27Å; F496-W737 AromaticContact CZ-CD2 3.67Å; F496-W737 HydrophobicContact CZ-CD2 3.67Å; F496-W737 AromaticContact CZ-CE2 3.37Å; F496-W737 AromaticContact CZ-CE3 3.94Å; F496-W737 HydrophobicContact CZ-CE3 3.94Å; F496-W737 HydrophobicContact CZ-CG 4.36Å; F496-W737 AromaticContact CZ-CH2 3.68Å; F496-W737 HydrophobicContact CZ-CH2 3.68Å; F496-W737 AromaticContact CZ-CZ2 3.42Å; F496-W737 HydrophobicContact CZ-CZ2 3.42Å; F496-W737 VanDerWaalsContact CZ-CZ2 3.42Å; F496-W737 AromaticContact CZ-CZ3 3.91Å; F496-W737 HydrophobicContact CZ-CZ3 3.91Å; F496-W737 AromaticContact CZ-NE1 3.86Å; D734-W737 HydrophobicContact CB-CB 4.35Å; D734-W737 VanDerWaalsContact O-CB 3.3Å; D734-W737 WeakPolarHBondContact O-CB 3.46Å; D734-W737 PolarHBondContact O-N 2.91Å; P735-W737 PolarHBondContact O-N 3.34Å
738	D	58.6	Low	70.4	Confident	21 Å²	21	50.4 Å²	50.4	11%	0.112	26%	0.257	C	S	.	.	S	Bend	trans	-90.6	-21.1	-165.2	-69.1	-5.9	0	0	0	116.7	Q447 K448 L736	Q447-D738 HydrophobicContact CG-CB 4.42Å; K448-D738 WeakPolarHBondContact CD-OD1 3.42Å; K448-D738 WeakPolarHBondContact CE-OD1 3.5Å; K448-D738 WeakPolarHBondContact CG-OD1 3.35Å; K448-D738 IonicContact NZ-OD1 2.78Å; K448-D738 PolarHBondContact NZ-OD1 3.32Å; L736-D738 VanDerWaalsContact C-N 3.3Å; L736-D738 PolarHBondContact O-N 2.92Å
739	D	58.4	Low	70.2	Confident	22 Å²	22	52.5 Å²	52.5	12%	0.118	27%	0.271	C	S	.	.			trans	-130.6	125.4	-174.2	-157.7	-36.3	0	0	0	111.9	R741 W742	D739-R741 PolarHBondContact O-N 3.26Å; D739-R741 VanDerWaalsContact O-N 3.15Å; D739-R741 WeakPolarHBondContact OD1-CB 3.21Å; D739-R741 VanDerWaalsContact OD1-CG 3.31Å; D739-R741 WeakPolarHBondContact OD1-CG 3.03Å; D739-R741 PolarHBondContact OD1-N 3.35Å; D739-R741 IonicContact OD1-NE 2.74Å; D739-R741 PolarHBondContact OD1-NE 2.83Å; D739-R741 VanDerWaalsContact OD1-NE 3.11Å; D739-R741 IonicContact OD2-CZ 3.95Å; D739-R741 VanDerWaalsContact OD2-CZ 3.26Å; D739-R741 IonicContact OD2-NE 3.16Å; D739-R741 PolarHBondContact OD2-NE 3.21Å; D739-R741 IonicContact OD2-NH2 3.15Å; D739-R741 PolarHBondContact OD2-NH2 2.78Å; D739-W742 HydrophobicContact CB-CD2 4.32Å; D739-W742 HydrophobicContact CB-CG 3.79Å; D739-W742 PolarHBondContact O-N 2.8Å; D739-W742 PolarHBondContact OD2-NE1 2.95Å
740	K	58	Low	70	Confident	104 Å²	104	51.6 Å²	51.6	45%	0.452	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-54.4	-32.7	171.6	-169.8	-178.4	178.1	-176.8	0	111.9	V474 Y483 W742 E743	V474-K740 VanDerWaalsContact CG1-NZ 3.26Å; Y483-K740 HydrophobicContact CD1-CB 3.97Å; Y483-K740 HydrophobicContact CD2-CB 3.94Å; Y483-K740 HydrophobicContact CD2-CD 4.09Å; Y483-K740 HydrophobicContact CD2-CG 4.12Å; Y483-K740 HydrophobicContact CE1-CB 3.76Å; Y483-K740 HydrophobicContact CE2-CB 3.72Å; Y483-K740 HydrophobicContact CE2-CD 4.28Å; Y483-K740 HydrophobicContact CE2-CG 3.84Å; Y483-K740 HydrophobicContact CG-CB 4.02Å; Y483-K740 WeakPolarHBondContact OH-CA 3.39Å; K740-W742 PolarHBondContact O-N 3.31Å; K740-E743 PolarHBondContact O-N 3.34Å
741	R	53.9	Low	70	Confident	110 Å²	110	50.2 Å²	50.2	42%	0.415	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-64.1	-21.3	179.8	-67.5	178.3	-71.3	-175.2	-0.5	112.7	D739 K759	D739-R741 PolarHBondContact O-N 3.26Å; D739-R741 VanDerWaalsContact O-N 3.15Å; D739-R741 WeakPolarHBondContact OD1-CB 3.21Å; D739-R741 VanDerWaalsContact OD1-CG 3.31Å; D739-R741 WeakPolarHBondContact OD1-CG 3.03Å; D739-R741 PolarHBondContact OD1-N 3.35Å; D739-R741 IonicContact OD1-NE 2.74Å; D739-R741 PolarHBondContact OD1-NE 2.83Å; D739-R741 VanDerWaalsContact OD1-NE 3.11Å; D739-R741 IonicContact OD2-CZ 3.95Å; D739-R741 VanDerWaalsContact OD2-CZ 3.26Å; D739-R741 IonicContact OD2-NE 3.16Å; D739-R741 PolarHBondContact OD2-NE 3.21Å; D739-R741 IonicContact OD2-NH2 3.15Å; D739-R741 PolarHBondContact OD2-NH2 2.78Å; R741-K759 PolarHBondContact O-NZ 3.09Å
742	W	53.1	Low	70	Confident	16 Å²	16	49.2 Å²	49.2	6%	0.061	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-96.7	-5.2	-179.2	-45.5	143.8	0	0	0	112.5	D739 K740 L763 S784 N787	D739-W742 HydrophobicContact CB-CD2 4.32Å; D739-W742 HydrophobicContact CB-CG 3.79Å; D739-W742 PolarHBondContact O-N 2.8Å; D739-W742 PolarHBondContact OD2-NE1 2.95Å; K740-W742 PolarHBondContact O-N 3.31Å; W742-L763 HydrophobicContact CE3-CD1 4.39Å; W742-L763 HydrophobicContact CH2-CD1 4.41Å; W742-L763 HydrophobicContact CH2-CD2 3.6Å; W742-L763 HydrophobicContact CH2-CG 4.13Å; W742-L763 HydrophobicContact CZ2-CD2 4.39Å; W742-L763 HydrophobicContact CZ3-CD1 3.74Å; W742-L763 HydrophobicContact CZ3-CD2 3.78Å; W742-L763 HydrophobicContact CZ3-CG 3.93Å; W742-S784 VanDerWaalsContact CE2-OG 3.24Å; W742-S784 PolarHBondContact NE1-OG 3.06Å; W742-N787 WeakPolarHBondContact O-CB 3.42Å; W742-N787 PolarHBondContact O-ND2 2.63Å
743	E	61.7	Low	69.9	Low	30 Å²	30	49.3 Å²	49.3	14%	0.14	26%	0.256	C	S	.	.	S	Bend	trans	-66.6	138.1	174.2	-65.3	-170.3	156.4	0	0	110.4	N476 K481 Y483 K740	N476-E743 PolarHBondContact ND2-OE2 3.3Å; N476-E743 VanDerWaalsContact ND2-OE2 3.12Å; K481-E743 IonicContact NZ-OE1 3.75Å; K481-E743 PolarHBondContact NZ-OE1 3.42Å; Y483-E743 PolarHBondContact OH-OE1 2.97Å; K740-E743 PolarHBondContact O-N 3.34Å
744	S	59.6	Low	69.7	Low	47 Å²	47	48.8 Å²	48.8	33%	0.329	25%	0.251	S	S	.	.			trans	-66.1	136.7	173.3	66.8	0	0	0	0	110	S791 Q794	S744-S791 VanDerWaalsContact CA-OG 3.24Å; S744-S791 WeakPolarHBondContact CA-OG 3.5Å; S744-Q794 PolarHBondContact OG-OE1 2.88Å
745	S	66.6	Low	70	Confident	55 Å²	55	52.4 Å²	52.4	39%	0.385	26%	0.26	S	S	.	.			trans	-139.6	137.6	179.7	60.3	0	0	0	0	109.5	V747 S791	S745-V747 PolarHBondContact O-N 3.37Å; S745-S791 PolarHBondContact N-OG 3.25Å; S745-S791 WeakPolarHBondContact O-CB 3.34Å
746	N	75	Confident	70.8	Confident	96 Å²	96	50.3 Å²	50.3	51%	0.513	25%	0.246	S	C	.	.			trans	-64.7	128.2	172.3	-70.6	-7.3	0	0	0	109.5	T748	N746-T748 HydrophobicContact CB-CG2 4.29Å
747	V	80.7	Confident	71.9	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.018	24%	0.235	C	C	.	.			trans	-87.9	105.5	174.9	179.7	0	0	0	0	107.1	S745 E752 F753 V756 S795 I804 V806	S745-V747 PolarHBondContact O-N 3.37Å; V747-E752 HydrophobicContact CG1-CB 4.03Å; V747-F753 HydrophobicContact CG1-CB 3.71Å; V747-V756 HydrophobicContact CG2-CG2 3.81Å; V747-S795 WeakPolarHBondContact CB-OG 3.5Å; V747-S795 PolarHBondContact N-OG 3.05Å; V747-I804 HydrophobicContact CB-CG2 4.4Å; V747-I804 HydrophobicContact CG1-CG2 4.37Å; V747-V806 HydrophobicContact CG1-CG1 4.05Å
748	T	82.7	Confident	72.5	Confident	76 Å²	76	52 Å²	52	47%	0.466	25%	0.249	S	C	.	.			trans	-113.4	-18.5	-177.2	62.5	0	0	0	0	112.5	N746 E752 V806 K807	N746-T748 HydrophobicContact CB-CG2 4.29Å; T748-E752 PolarHBondContact N-OE2 2.88Å; T748-E752 PolarHBondContact OG1-OE2 2.85Å; T748-V806 WeakPolarHBondContact O-CA 3.33Å; T748-K807 PolarHBondContact O-N 3.33Å
749	T	84.8	Confident	73.5	Confident	50 Å²	50	53 Å²	53	31%	0.307	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-122.2	156.5	-179.5	64.4	0	0	0	0	111.7	E751 E752 F753	T749-E751 VanDerWaalsContact C-N 3.27Å; T749-E751 PolarHBondContact O-N 3.48Å; T749-E752 PolarHBondContact N-OE2 2.8Å; T749-E752 PolarHBondContact O-N 3.26Å; T749-E752 VanDerWaalsContact OG1-CD 3.22Å; T749-E752 WeakPolarHBondContact OG1-CG 3.29Å; T749-E752 PolarHBondContact OG1-N 2.93Å; T749-E752 PolarHBondContact OG1-OE2 3.13Å; T749-E752 VanDerWaalsContact OG1-OE2 3.06Å; T749-F753 PolarHBondContact O-N 3.41Å; T749-F753 VanDerWaalsContact O-N 3.13Å
750	L	80.3	Confident	74.7	Confident	28 Å²	28	52 Å²	52	15%	0.147	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-33.9	177.4	-173.6	62	0	0	0	112.9	F753 Y754 V806 K807 I816 I1000	L750-F753 HydrophobicContact CD1-CD1 4.41Å; L750-F753 WeakPolarHBondContact O-CB 3.25Å; L750-F753 PolarHBondContact O-N 2.92Å; L750-Y754 HydrophobicContact CD1-CD1 4.46Å; L750-Y754 HydrophobicContact CD1-CE1 3.78Å; L750-Y754 HydrophobicContact CD1-CE2 4.37Å; L750-Y754 HydrophobicContact CD2-CE2 4.11Å; L750-Y754 HydrophobicContact CG-CD2 4.4Å; L750-Y754 HydrophobicContact CG-CE1 4.12Å; L750-Y754 HydrophobicContact CG-CE2 3.78Å; L750-Y754 PolarHBondContact O-N 3.41Å; L750-V806 HydrophobicContact CB-CG2 4.39Å; L750-V806 HydrophobicContact CD1-CG2 4.12Å; L750-K807 PolarHBondContact N-O 3.48Å; L750-I816 HydrophobicContact CD1-CD1 3.91Å; L750-I1000 HydrophobicContact CD1-CD1 3.52Å; L750-I1000 HydrophobicContact CD1-CG1 4.08Å; L750-I1000 HydrophobicContact CD2-CD1 3.93Å; L750-I1000 HydrophobicContact CD2-CG1 4.37Å; L750-I1000 HydrophobicContact CG-CD1 4.4Å
751	E	79.4	Confident	75.9	Confident	79 Å²	79	48.2 Å²	48.2	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-67.9	-36.2	177.4	-174	59.9	-145.9	0	0	112	T749 Y754 R755 R758	T749-E751 VanDerWaalsContact C-N 3.27Å; T749-E751 PolarHBondContact O-N 3.48Å; E751-Y754 PolarHBondContact O-N 2.84Å; E751-R755 WeakPolarHBondContact O-CB 3.36Å; E751-R755 PolarHBondContact O-N 2.79Å; E751-R758 IonicContact OE1-NH1 3.72Å
752	E	82.7	Confident	77.1	Confident	57 Å²	57	49.4 Å²	49.4	27%	0.266	24%	0.24	S	C	.	.	H	α-helix	trans	-65.5	-41.1	173.1	-73.3	165.6	161.8	0	0	111.3	V747 T748 T749 Y754 R755 V756	V747-E752 HydrophobicContact CG1-CB 4.03Å; T748-E752 PolarHBondContact N-OE2 2.88Å; T748-E752 PolarHBondContact OG1-OE2 2.85Å; T749-E752 PolarHBondContact N-OE2 2.8Å; T749-E752 PolarHBondContact O-N 3.26Å; T749-E752 VanDerWaalsContact OG1-CD 3.22Å; T749-E752 WeakPolarHBondContact OG1-CG 3.29Å; T749-E752 PolarHBondContact OG1-N 2.93Å; T749-E752 PolarHBondContact OG1-OE2 3.13Å; T749-E752 VanDerWaalsContact OG1-OE2 3.06Å; E752-Y754 PolarHBondContact O-N 3.07Å; E752-R755 WeakPolarHBondContact O-CB 3.32Å; E752-R755 PolarHBondContact O-N 3.3Å; E752-R755 VanDerWaalsContact O-N 3.13Å; E752-V756 WeakPolarHBondContact O-CG2 3.39Å; E752-V756 PolarHBondContact O-N 2.63Å
753	F	84.5	Confident	78.4	Confident	1 Å²	1	48.7 Å²	48.7	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-47.6	175.3	177.8	-104	0	0	0	111.1	V747 T749 L750 R755 V756 A757 V806 I816 V818 M899	V747-F753 HydrophobicContact CG1-CB 3.71Å; T749-F753 PolarHBondContact O-N 3.41Å; T749-F753 VanDerWaalsContact O-N 3.13Å; L750-F753 HydrophobicContact CD1-CD1 4.41Å; L750-F753 WeakPolarHBondContact O-CB 3.25Å; L750-F753 PolarHBondContact O-N 2.92Å; F753-R755 VanDerWaalsContact C-N 3.27Å; F753-R755 PolarHBondContact O-N 3.41Å; F753-V756 PolarHBondContact O-N 2.74Å; F753-A757 WeakPolarHBondContact O-CB 3.31Å; F753-A757 PolarHBondContact O-N 2.77Å; F753-V806 HydrophobicContact CB-CG1 4.27Å; F753-I816 HydrophobicContact CD1-CD1 3.76Å; F753-I816 HydrophobicContact CD2-CD1 4.48Å; F753-I816 HydrophobicContact CE1-CD1 3.88Å; F753-I816 HydrophobicContact CE1-CG2 4.17Å; F753-I816 HydrophobicContact CE2-CG2 4.21Å; F753-I816 HydrophobicContact CG-CD1 4.08Å; F753-I816 HydrophobicContact CZ-CD1 4.31Å; F753-I816 HydrophobicContact CZ-CG2 3.75Å; F753-V818 HydrophobicContact CE2-CG1 3.79Å; F753-V818 HydrophobicContact CZ-CG1 4.34Å; F753-M899 HydrophobicContact CE1-CE 4.37Å; F753-M899 HydrophobicContact CE2-CE 4.33Å; F753-M899 HydrophobicContact CZ-CE 3.88Å; F753-M899 HydrophobicContact CZ-CG 4.09Å; F753-M899 HydrophobicContact CZ-SD 4.33Å
754	Y	80.6	Confident	79.5	Confident	41 Å²	41	47.3 Å²	47.3	16%	0.161	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-34.6	175	-65.4	-19.5	0	0	0	113.1	L750 E751 E752 A757 R758 L898	L750-Y754 HydrophobicContact CD1-CD1 4.46Å; L750-Y754 HydrophobicContact CD1-CE1 3.78Å; L750-Y754 HydrophobicContact CD1-CE2 4.37Å; L750-Y754 HydrophobicContact CD2-CE2 4.11Å; L750-Y754 HydrophobicContact CG-CD2 4.4Å; L750-Y754 HydrophobicContact CG-CE1 4.12Å; L750-Y754 HydrophobicContact CG-CE2 3.78Å; L750-Y754 PolarHBondContact O-N 3.41Å; E751-Y754 PolarHBondContact O-N 2.84Å; E752-Y754 PolarHBondContact O-N 3.07Å; Y754-A757 WeakPolarHBondContact O-CB 3.46Å; Y754-R758 VanDerWaalsContact O-CG 3.31Å; Y754-R758 WeakPolarHBondContact O-CG 3.4Å; Y754-R758 PolarHBondContact O-N 3.24Å; Y754-R758 VanDerWaalsContact O-N 3.08Å; Y754-L898 HydrophobicContact CD1-CD1 3.5Å; Y754-L898 HydrophobicContact CE1-CD1 3.2Å
755	R	79.6	Confident	80.6	Confident	134 Å²	134	49.1 Å²	49.1	51%	0.506	23%	0.231	S	C	.	.	H	α-helix	trans	-67	-43.6	175.9	-168.5	-178	-63.6	161.7	0.5	111.7	E751 E752 F753 K759	E751-R755 WeakPolarHBondContact O-CB 3.36Å; E751-R755 PolarHBondContact O-N 2.79Å; E752-R755 WeakPolarHBondContact O-CB 3.32Å; E752-R755 PolarHBondContact O-N 3.3Å; E752-R755 VanDerWaalsContact O-N 3.13Å; F753-R755 VanDerWaalsContact C-N 3.27Å; F753-R755 PolarHBondContact O-N 3.41Å; R755-K759 WeakPolarHBondContact O-CG 3.34Å; R755-K759 PolarHBondContact O-N 3.17Å; R755-K759 VanDerWaalsContact O-N 3.1Å
756	V	82.3	Confident	81.1	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.03	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-45.2	175.9	174	0	0	0	0	110.5	V747 E752 F753 R758 K759 I760 M788 L792	V747-V756 HydrophobicContact CG2-CG2 3.81Å; E752-V756 WeakPolarHBondContact O-CG2 3.39Å; E752-V756 PolarHBondContact O-N 2.63Å; F753-V756 PolarHBondContact O-N 2.74Å; V756-R758 PolarHBondContact O-N 2.57Å; V756-K759 WeakPolarHBondContact O-CB 3.4Å; V756-K759 PolarHBondContact O-N 3.29Å; V756-K759 VanDerWaalsContact O-N 3.14Å; V756-I760 HydrophobicContact CG1-CD1 3.9Å; V756-I760 HydrophobicContact CG1-CG1 4.5Å; V756-I760 WeakPolarHBondContact O-CG1 3.42Å; V756-I760 PolarHBondContact O-N 3.31Å; V756-M788 HydrophobicContact CG1-SD 4.11Å; V756-L792 HydrophobicContact CG1-CD2 3.94Å; V756-L792 HydrophobicContact CG1-CG 4.22Å
757	A	81.7	Confident	81.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-50.7	-51.8	174.6	0	0	0	0	0	113.6	F753 Y754 I760 R761 M899	F753-A757 WeakPolarHBondContact O-CB 3.31Å; F753-A757 PolarHBondContact O-N 2.77Å; Y754-A757 WeakPolarHBondContact O-CB 3.46Å; A757-I760 PolarHBondContact O-N 2.72Å; A757-R761 PolarHBondContact O-N 3.06Å; A757-R761 VanDerWaalsContact O-N 3.12Å; A757-M899 HydrophobicContact CB-CE 2.97Å
758	R	79.3	Confident	81	Confident	116 Å²	116	45.5 Å²	45.5	44%	0.438	20%	0.201	S	C	.	.	H	α-helix	trans	-65.8	-38.4	-179.8	-70.8	176.1	-166.1	138.2	3.6	111.6	E751 Y754 V756 R761 H762	E751-R758 IonicContact OE1-NH1 3.72Å; Y754-R758 VanDerWaalsContact O-CG 3.31Å; Y754-R758 WeakPolarHBondContact O-CG 3.4Å; Y754-R758 PolarHBondContact O-N 3.24Å; Y754-R758 VanDerWaalsContact O-N 3.08Å; V756-R758 PolarHBondContact O-N 2.57Å; R758-R761 PolarHBondContact O-N 3.23Å; R758-H762 PolarHBondContact O-N 2.67Å
759	K	78.8	Confident	80.6	Confident	43 Å²	43	43.7 Å²	43.7	19%	0.187	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-47.8	176.9	-77.9	179.4	-179.9	-179.5	0	111.8	R741 R755 V756 R761 H762 L763 M788	R741-K759 PolarHBondContact O-NZ 3.09Å; R755-K759 WeakPolarHBondContact O-CG 3.34Å; R755-K759 PolarHBondContact O-N 3.17Å; R755-K759 VanDerWaalsContact O-N 3.1Å; V756-K759 WeakPolarHBondContact O-CB 3.4Å; V756-K759 PolarHBondContact O-N 3.29Å; V756-K759 VanDerWaalsContact O-N 3.14Å; K759-R761 VanDerWaalsContact C-N 3.31Å; K759-R761 PolarHBondContact O-N 3.27Å; K759-H762 PolarHBondContact O-N 3.48Å; K759-L763 WeakPolarHBondContact O-CB 3.27Å; K759-L763 WeakPolarHBondContact O-CG 3.44Å; K759-L763 PolarHBondContact O-N 3.45Å; K759-M788 HydrophobicContact CB-SD 4.18Å; K759-M788 HydrophobicContact CD-SD 3.85Å
760	I	83.4	Confident	79.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.7	-47.1	176.8	-67.1	165.2	0	0	0	110	V756 A757 H762 L763 R764 L785 M788 L792 E821 L825	V756-I760 HydrophobicContact CG1-CD1 3.9Å; V756-I760 HydrophobicContact CG1-CG1 4.5Å; V756-I760 WeakPolarHBondContact O-CG1 3.42Å; V756-I760 PolarHBondContact O-N 3.31Å; A757-I760 PolarHBondContact O-N 2.72Å; I760-H762 PolarHBondContact O-N 3.35Å; I760-L763 PolarHBondContact O-N 2.81Å; I760-R764 HydrophobicContact CG2-CG 4.41Å; I760-R764 PolarHBondContact O-N 3.35Å; I760-L785 HydrophobicContact CG2-CD1 4.33Å; I760-M788 HydrophobicContact CD1-CB 4.2Å; I760-M788 HydrophobicContact CG1-CB 3.86Å; I760-M788 HydrophobicContact CG1-CG 4.08Å; I760-L792 HydrophobicContact CD1-CD1 4.11Å; I760-E821 HydrophobicContact CD1-CG 4.48Å; I760-L825 HydrophobicContact CD1-CD1 4.07Å; I760-L825 HydrophobicContact CG2-CD2 4.01Å
761	R	83.1	Confident	79.3	Confident	26 Å²	26	43 Å²	43	10%	0.098	19%	0.186	C	C	.	.	H	α-helix	trans	-55.5	-49.8	177.5	-166	174.5	-97.4	101.6	-5.2	112.5	A757 R758 K759 R764 R765 T897 L898 Q901 D936 D937	A757-R761 PolarHBondContact O-N 3.06Å; A757-R761 VanDerWaalsContact O-N 3.12Å; R758-R761 PolarHBondContact O-N 3.23Å; K759-R761 VanDerWaalsContact C-N 3.31Å; K759-R761 PolarHBondContact O-N 3.27Å; R761-R764 PolarHBondContact O-N 3.3Å; R761-R765 PolarHBondContact O-N 2.87Å; R761-T897 PolarHBondContact NH2-O 2.9Å; R761-L898 PolarHBondContact NH1-O 3.2Å; R761-L898 PolarHBondContact NH2-O 2.98Å; R761-Q901 VanDerWaalsContact CA-OE1 3.28Å; R761-Q901 VanDerWaalsContact CB-NE2 3.34Å; R761-Q901 HydrophobicContact CG-CG 4.44Å; R761-Q901 VanDerWaalsContact CZ-NE2 3.27Å; R761-Q901 VanDerWaalsContact NH1-NE2 3.18Å; R761-D936 WeakPolarHBondContact CD-O 3.41Å; R761-D936 PolarHBondContact NE-O 3.28Å; R761-D937 IonicContact CZ-OD1 3.53Å; R761-D937 IonicContact NE-OD1 3.96Å; R761-D937 IonicContact NH2-OD1 3.31Å; R761-D937 PolarHBondContact NH2-OD1 3.25Å
762	H	79.1	Confident	78.7	Confident	134 Å²	134	41.1 Å²	41.1	62%	0.62	18%	0.181	S	C	*	.	H	α-helix	trans	-65.7	-36.9	179.2	-76.4	-17	0	0	0	112.8	R758 K759 I760 R766	R758-H762 PolarHBondContact O-N 2.67Å; K759-H762 PolarHBondContact O-N 3.48Å; I760-H762 PolarHBondContact O-N 3.35Å; H762-R766 VanDerWaalsContact O-CB 3.28Å; H762-R766 WeakPolarHBondContact O-CB 3.48Å; H762-R766 PolarHBondContact O-N 3.03Å
763	L	79.8	Confident	77.8	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-50.5	174.7	-78	170.9	0	0	0	111.2	W742 K759 I760 R765 R766 I767 L785 M788	W742-L763 HydrophobicContact CE3-CD1 4.39Å; W742-L763 HydrophobicContact CH2-CD1 4.41Å; W742-L763 HydrophobicContact CH2-CD2 3.6Å; W742-L763 HydrophobicContact CH2-CG 4.13Å; W742-L763 HydrophobicContact CZ2-CD2 4.39Å; W742-L763 HydrophobicContact CZ3-CD1 3.74Å; W742-L763 HydrophobicContact CZ3-CD2 3.78Å; W742-L763 HydrophobicContact CZ3-CG 3.93Å; K759-L763 WeakPolarHBondContact O-CB 3.27Å; K759-L763 WeakPolarHBondContact O-CG 3.44Å; K759-L763 PolarHBondContact O-N 3.45Å; I760-L763 PolarHBondContact O-N 2.81Å; L763-R765 PolarHBondContact O-N 2.62Å; L763-R766 VanDerWaalsContact CD2-NH2 3.32Å; L763-R766 PolarHBondContact O-N 3.49Å; L763-I767 VanDerWaalsContact O-CG1 3.31Å; L763-I767 WeakPolarHBondContact O-CG1 3.31Å; L763-I767 PolarHBondContact O-N 3.35Å; L763-L785 HydrophobicContact CD1-CD1 4.45Å; L763-M788 HydrophobicContact CD1-CG 4.41Å
764	R	85.8	Confident	76.5	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-55.3	-51.2	177	-72.6	-169.6	170.8	126.4	2.5	111.6	I760 R761 R766 I767 V768 E821 E828 M904 P939	I760-R764 HydrophobicContact CG2-CG 4.41Å; I760-R764 PolarHBondContact O-N 3.35Å; R761-R764 PolarHBondContact O-N 3.3Å; R764-R766 VanDerWaalsContact C-N 3.34Å; R764-R766 PolarHBondContact O-N 2.95Å; R764-I767 PolarHBondContact O-N 3.14Å; R764-V768 WeakPolarHBondContact O-CB 3.49Å; R764-V768 VanDerWaalsContact O-CG2 3.26Å; R764-V768 WeakPolarHBondContact O-CG2 3.44Å; R764-V768 PolarHBondContact O-N 3.02Å; R764-E821 IonicContact CZ-OE1 3.29Å; R764-E821 IonicContact NH1-OE1 2.59Å; R764-E821 PolarHBondContact NH1-OE1 3.42Å; R764-E821 IonicContact NH1-OE2 2.93Å; R764-E821 PolarHBondContact NH1-OE2 3.12Å; R764-E821 IonicContact NH2-OE1 3.21Å; R764-E821 PolarHBondContact NH2-OE1 3.42Å; R764-E828 IonicContact CZ-OE1 3.22Å; R764-E828 IonicContact CZ-OE2 2.9Å; R764-E828 VanDerWaalsContact NE-CD 3.34Å; R764-E828 IonicContact NE-OE1 3.11Å; R764-E828 PolarHBondContact NE-OE1 2.94Å; R764-E828 IonicContact NE-OE2 3.42Å; R764-E828 PolarHBondContact NE-OE2 3.42Å; R764-E828 IonicContact NH2-OE1 3.1Å; R764-E828 IonicContact NH2-OE2 3.11Å; R764-E828 PolarHBondContact NH2-OE2 3.12Å; R764-M904 HydrophobicContact CB-CG 3.87Å; R764-M904 HydrophobicContact CB-SD 4.28Å; R764-M904 HydrophobicContact CG-CE 4.42Å; R764-M904 HydrophobicContact CG-CG 3.73Å; R764-M904 HydrophobicContact CG-SD 4.13Å; R764-P939 HydrophobicContact CB-CB 4.22Å
765	R	83.4	Confident	75.3	Confident	85 Å²	85	47 Å²	47	32%	0.321	22%	0.221	S	C	.	.	H	α-helix	trans	-60.4	-42.2	179	-169.4	169.2	-177	156.3	-1.8	112.1	R761 L763 T769 P939 D941	R761-R765 PolarHBondContact O-N 2.87Å; L763-R765 PolarHBondContact O-N 2.62Å; R765-T769 WeakPolarHBondContact O-CB 3.39Å; R765-T769 PolarHBondContact O-N 3.5Å; R765-T769 PolarHBondContact O-OG1 2.89Å; R765-P939 HydrophobicContact CB-CB 4.17Å; R765-D941 IonicContact NH2-OD2 2.77Å; R765-D941 PolarHBondContact NH2-OD2 3.49Å
766	R	76.1	Confident	74.3	Confident	78 Å²	78	41.6 Å²	41.6	29%	0.294	21%	0.207	S	C	.	.	H	α-helix	trans	-64.1	-48.5	178.2	-176.4	171.1	76.4	-153.2	1.3	112.1	H762 L763 R764 T769 N770 D781	H762-R766 VanDerWaalsContact O-CB 3.28Å; H762-R766 WeakPolarHBondContact O-CB 3.48Å; H762-R766 PolarHBondContact O-N 3.03Å; L763-R766 VanDerWaalsContact CD2-NH2 3.32Å; L763-R766 PolarHBondContact O-N 3.49Å; R764-R766 VanDerWaalsContact C-N 3.34Å; R764-R766 PolarHBondContact O-N 2.95Å; R766-T769 PolarHBondContact O-N 3.34Å; R766-N770 WeakPolarHBondContact O-CB 3.3Å; R766-N770 PolarHBondContact O-N 3.3Å; R766-N770 PolarHBondContact O-ND2 3.21Å; R766-D781 IonicContact CZ-OD1 3.65Å; R766-D781 IonicContact CZ-OD2 2.81Å; R766-D781 IonicContact NE-OD1 2.85Å; R766-D781 PolarHBondContact NE-OD1 3.26Å; R766-D781 IonicContact NE-OD2 3.48Å; R766-D781 PolarHBondContact NE-OD2 3.46Å; R766-D781 IonicContact NH2-OD1 3.66Å; R766-D781 PolarHBondContact NH2-OD1 3.3Å; R766-D781 IonicContact NH2-OD2 3.45Å
767	I	76.5	Confident	73.4	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-52.2	-179.7	-67	165.1	0	0	0	109.7	L763 R764 T769 N770 V771 D781 W782 M904	L763-I767 VanDerWaalsContact O-CG1 3.31Å; L763-I767 WeakPolarHBondContact O-CG1 3.31Å; L763-I767 PolarHBondContact O-N 3.35Å; R764-I767 PolarHBondContact O-N 3.14Å; I767-T769 VanDerWaalsContact C-N 3.33Å; I767-T769 PolarHBondContact O-N 2.68Å; I767-N770 PolarHBondContact O-N 2.94Å; I767-V771 HydrophobicContact CG2-CG2 4.32Å; I767-V771 VanDerWaalsContact O-CG2 3.29Å; I767-V771 WeakPolarHBondContact O-CG2 3.27Å; I767-V771 PolarHBondContact O-N 3.31Å; I767-D781 HydrophobicContact CD1-CB 3.85Å; I767-D781 HydrophobicContact CG1-CB 3.65Å; I767-W782 HydrophobicContact CD1-CD2 4.43Å; I767-W782 HydrophobicContact CD1-CE3 4.46Å; I767-W782 HydrophobicContact CG2-CH2 4.18Å; I767-W782 HydrophobicContact CG2-CZ2 3.74Å; I767-M904 HydrophobicContact CB-SD 3.66Å; I767-M904 HydrophobicContact CD1-CE 4.07Å; I767-M904 HydrophobicContact CD1-SD 3.63Å; I767-M904 HydrophobicContact CG1-SD 4.25Å; I767-M904 HydrophobicContact CG2-SD 3.64Å
768	V	77.8	Confident	72.5	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-41.8	-178.5	174.1	0	0	0	0	111.3	R764 V771 C772 M904 A907 L908 P939 V940	R764-V768 WeakPolarHBondContact O-CB 3.49Å; R764-V768 VanDerWaalsContact O-CG2 3.26Å; R764-V768 WeakPolarHBondContact O-CG2 3.44Å; R764-V768 PolarHBondContact O-N 3.02Å; V768-V771 PolarHBondContact O-N 2.81Å; V768-C772 VanDerWaalsContact O-CB 3.31Å; V768-C772 WeakPolarHBondContact O-CB 3.36Å; V768-C772 PolarHBondContact O-N 2.93Å; V768-C772 PolarHBondContact O-SG 3.38Å; V768-M904 HydrophobicContact CG2-CB 3.69Å; V768-M904 HydrophobicContact CG2-CG 3.62Å; V768-M904 HydrophobicContact CG2-SD 4.34Å; V768-A907 HydrophobicContact CG1-CB 4.27Å; V768-A907 HydrophobicContact CG2-CB 4.41Å; V768-L908 HydrophobicContact CG1-CD2 3.94Å; V768-L908 HydrophobicContact CG1-CG 4.3Å; V768-L908 HydrophobicContact CG2-CG 4.4Å; V768-P939 WeakPolarHBondContact CG1-O 3.33Å; V768-P939 HydrophobicContact CG2-CG 4.28Å; V768-V940 HydrophobicContact CG1-CG2 3.67Å
769	T	73.6	Confident	71.8	Confident	38 Å²	38	46.9 Å²	46.9	23%	0.233	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-46.6	176.3	-58.7	0	0	0	0	111.7	R765 R766 I767 C772 Q773	R765-T769 WeakPolarHBondContact O-CB 3.39Å; R765-T769 PolarHBondContact O-N 3.5Å; R765-T769 PolarHBondContact O-OG1 2.89Å; R766-T769 PolarHBondContact O-N 3.34Å; I767-T769 VanDerWaalsContact C-N 3.33Å; I767-T769 PolarHBondContact O-N 2.68Å; T769-C772 PolarHBondContact O-N 3.49Å; T769-Q773 HydrophobicContact CG2-CG 4.5Å; T769-Q773 WeakPolarHBondContact O-CB 3.34Å; T769-Q773 VanDerWaalsContact O-CG 3.27Å; T769-Q773 WeakPolarHBondContact O-CG 3.4Å; T769-Q773 PolarHBondContact O-N 3.1Å
770	N	68.1	Low	71	Confident	28 Å²	28	47.7 Å²	47.7	15%	0.15	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-43.7	179.5	-69	-16.8	0	0	0	111.7	R766 I767 Q773 G774 L775 G776	R766-N770 WeakPolarHBondContact O-CB 3.3Å; R766-N770 PolarHBondContact O-N 3.3Å; R766-N770 PolarHBondContact O-ND2 3.21Å; I767-N770 PolarHBondContact O-N 2.94Å; N770-Q773 CarbonylContact O-C 3.56Å; N770-Q773 PolarHBondContact O-N 3.41Å; N770-G774 PolarHBondContact O-N 3.5Å; N770-L775 HydrophobicContact CB-CB 4.24Å; N770-L775 PolarHBondContact O-N 3.16Å; N770-G776 VanDerWaalsContact CB-O 3.28Å; N770-G776 WeakPolarHBondContact CB-O 3.39Å
771	V	69.1	Low	70.5	Confident	36 Å²	36	47.7 Å²	47.7	22%	0.218	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-46	178	174.2	0	0	0	0	110.7	I767 V768 Q773 G774 L835 L908	I767-V771 HydrophobicContact CG2-CG2 4.32Å; I767-V771 VanDerWaalsContact O-CG2 3.29Å; I767-V771 WeakPolarHBondContact O-CG2 3.27Å; I767-V771 PolarHBondContact O-N 3.31Å; V768-V771 PolarHBondContact O-N 2.81Å; V771-Q773 PolarHBondContact O-N 2.92Å; V771-G774 PolarHBondContact O-N 2.82Å; V771-L835 HydrophobicContact CG2-CD2 4.01Å; V771-L908 HydrophobicContact CB-CD2 3.96Å; V771-L908 HydrophobicContact CG1-CD1 4.08Å; V771-L908 HydrophobicContact CG1-CD2 3.62Å
772	C	67.6	Low	70.1	Confident	39 Å²	39	47.4 Å²	47.4	26%	0.264	24%	0.235	S	C	.	.	H	α-helix	trans	-63.1	-25.7	175.9	-73.3	0	0	0	0	113.8	V768 T769 G774 N911	V768-C772 VanDerWaalsContact O-CB 3.31Å; V768-C772 WeakPolarHBondContact O-CB 3.36Å; V768-C772 PolarHBondContact O-N 2.93Å; V768-C772 PolarHBondContact O-SG 3.38Å; T769-C772 PolarHBondContact O-N 3.49Å; C772-G774 VanDerWaalsContact C-N 3.35Å; C772-N911 PolarHBondContact SG-ND2 3Å
773	Q	63.7	Low	69.7	Low	121 Å²	121	42 Å²	42	57%	0.565	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	0.2	176.3	-72.3	177.1	-2.7	0	0	113.3	T769 N770 V771 L775	T769-Q773 HydrophobicContact CG2-CG 4.5Å; T769-Q773 WeakPolarHBondContact O-CB 3.34Å; T769-Q773 VanDerWaalsContact O-CG 3.27Å; T769-Q773 WeakPolarHBondContact O-CG 3.4Å; T769-Q773 PolarHBondContact O-N 3.1Å; N770-Q773 CarbonylContact O-C 3.56Å; N770-Q773 PolarHBondContact O-N 3.41Å; V771-Q773 PolarHBondContact O-N 2.92Å; Q773-L775 VanDerWaalsContact C-N 3.25Å; Q773-L775 HydrophobicContact CB-CD1 4.13Å; Q773-L775 HydrophobicContact CB-CG 4.05Å; Q773-L775 PolarHBondContact O-N 2.73Å
774	G	57.5	Low	69.4	Low	36 Å²	36	41.9 Å²	41.9	37%	0.371	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	12.3	-177.1	0	0	0	0	0	114.4	N770 V771 C772 G776	N770-G774 PolarHBondContact O-N 3.5Å; V771-G774 PolarHBondContact O-N 2.82Å; C772-G774 VanDerWaalsContact C-N 3.35Å; G774-G776 PolarHBondContact O-N 3.37Å
775	L	54.6	Low	69.1	Low	65 Å²	65	41.9 Å²	41.9	34%	0.34	21%	0.213	S	C	.	.			trans	-84.7	7.1	179.5	-60.5	174.7	0	0	0	113.2	L388 N770 Q773	L388-L775 WeakPolarHBondContact CD1-O 3.17Å; N770-L775 HydrophobicContact CB-CB 4.24Å; N770-L775 PolarHBondContact O-N 3.16Å; Q773-L775 VanDerWaalsContact C-N 3.25Å; Q773-L775 HydrophobicContact CB-CD1 4.13Å; Q773-L775 HydrophobicContact CB-CG 4.05Å; Q773-L775 PolarHBondContact O-N 2.73Å
776	G	59.5	Low	68.9	Low	20 Å²	20	41 Å²	41	21%	0.206	21%	0.214	C	C	.	.			trans	62.8	-164.1	-174.2	0	0	0	0	0	113.9	N770 G774	N770-G776 VanDerWaalsContact CB-O 3.28Å; N770-G776 WeakPolarHBondContact CB-O 3.39Å; G774-G776 PolarHBondContact O-N 3.37Å
777	S	62.6	Low	68.8	Low	23 Å²	23	38.4 Å²	38.4	16%	0.161	21%	0.207	C	C	.	.			trans	-125.7	138.2	175.7	66.5	0	0	0	0	110.7	W782	S777-W782 VanDerWaalsContact CB-NE1 3.33Å; S777-W782 PolarHBondContact OG-NE1 2.92Å
778	R	62.9	Low	69	Low	54 Å²	54	38.4 Å²	38.4	20%	0.204	21%	0.207	C	C	.	.			trans	-81.5	132.9	-179.2	-59.7	-177.8	-173.5	-149.5	-1.6	109.6	L388 E413 R780 D781	L388-R778 HydrophobicContact CD2-CG 4.35Å; E413-R778 IonicContact OE1-CZ 3.33Å; E413-R778 IonicContact OE1-NH1 2.68Å; E413-R778 PolarHBondContact OE1-NH1 2.54Å; R778-R780 HydrophobicContact CB-CG 4.05Å; R778-R780 PolarHBondContact O-N 3.41Å; R778-R780 VanDerWaalsContact O-N 3.11Å; R778-D781 WeakPolarHBondContact O-CB 3.4Å; R778-D781 PolarHBondContact O-N 2.63Å
779	K	64.2	Low	69.3	Low	156 Å²	156	38.8 Å²	38.8	68%	0.678	21%	0.208	S	C	*	.	H	α-helix	trans	-50.3	-39	176.1	-75	-176	177	178.1	0	113	D781 W782 A783	K779-D781 VanDerWaalsContact C-N 3.29Å; K779-D781 PolarHBondContact O-N 3.09Å; K779-W782 PolarHBondContact O-N 3.31Å; K779-A783 WeakPolarHBondContact O-CB 3.49Å; K779-A783 PolarHBondContact O-N 3.04Å
780	R	63.2	Low	69.6	Low	60 Å²	60	38.8 Å²	38.8	23%	0.226	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-31.7	177.7	78.6	-173.2	-172.5	176.1	-4.4	113.6	E413 P735 R778 A783 S784	E413-R780 IonicContact OE1-CZ 3.02Å; E413-R780 IonicContact OE1-NE 3.52Å; E413-R780 PolarHBondContact OE1-NE 3.38Å; E413-R780 IonicContact OE1-NH1 2.8Å; E413-R780 PolarHBondContact OE1-NH1 2.94Å; E413-R780 IonicContact OE1-NH2 3.16Å; E413-R780 IonicContact OE2-NH1 3.32Å; P735-R780 HydrophobicContact CB-CB 4.03Å; R778-R780 HydrophobicContact CB-CG 4.05Å; R778-R780 PolarHBondContact O-N 3.41Å; R778-R780 VanDerWaalsContact O-N 3.11Å; R780-A783 PolarHBondContact O-N 2.97Å; R780-S784 VanDerWaalsContact O-CB 3.28Å; R780-S784 WeakPolarHBondContact O-CB 3.3Å; R780-S784 PolarHBondContact O-N 3.15Å; R780-S784 PolarHBondContact O-OG 3.3Å
781	D	72.3	Confident	70.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.2	-39.4	-176.7	-69.7	5.5	0	0	0	109.7	R766 I767 R778 K779 S784 L785	R766-D781 IonicContact CZ-OD1 3.65Å; R766-D781 IonicContact CZ-OD2 2.81Å; R766-D781 IonicContact NE-OD1 2.85Å; R766-D781 PolarHBondContact NE-OD1 3.26Å; R766-D781 IonicContact NE-OD2 3.48Å; R766-D781 PolarHBondContact NE-OD2 3.46Å; R766-D781 IonicContact NH2-OD1 3.66Å; R766-D781 PolarHBondContact NH2-OD1 3.3Å; R766-D781 IonicContact NH2-OD2 3.45Å; I767-D781 HydrophobicContact CD1-CB 3.85Å; I767-D781 HydrophobicContact CG1-CB 3.65Å; R778-D781 WeakPolarHBondContact O-CB 3.4Å; R778-D781 PolarHBondContact O-N 2.63Å; K779-D781 VanDerWaalsContact C-N 3.29Å; K779-D781 PolarHBondContact O-N 3.09Å; D781-S784 WeakPolarHBondContact O-CB 3.31Å; D781-L785 PolarHBondContact O-N 2.99Å; D781-L785 VanDerWaalsContact O-N 3.14Å
782	W	75.2	Confident	70.8	Confident	20 Å²	20	35.8 Å²	35.8	8%	0.076	19%	0.191	C	C	.	.	H	α-helix	trans	-67.9	-44.7	171.8	-64.4	112	0	0	0	112.7	I767 S777 K779 S784 L785 D786 E828 L829 F831 S832 L835 M904	I767-W782 HydrophobicContact CD1-CD2 4.43Å; I767-W782 HydrophobicContact CD1-CE3 4.46Å; I767-W782 HydrophobicContact CG2-CH2 4.18Å; I767-W782 HydrophobicContact CG2-CZ2 3.74Å; S777-W782 VanDerWaalsContact CB-NE1 3.33Å; S777-W782 PolarHBondContact OG-NE1 2.92Å; K779-W782 PolarHBondContact O-N 3.31Å; W782-S784 PolarHBondContact O-N 2.74Å; W782-L785 HydrophobicContact CE3-CD2 4.15Å; W782-L785 HydrophobicContact CZ3-CD2 4.25Å; W782-L785 WeakPolarHBondContact O-CA 3.33Å; W782-L785 VanDerWaalsContact O-CB 3.26Å; W782-L785 WeakPolarHBondContact O-CB 3.23Å; W782-L785 PolarHBondContact O-N 3.47Å; W782-D786 PolarHBondContact O-N 3.19Å; W782-E828 HydrophobicContact CZ3-CB 4.44Å; W782-E828 VanDerWaalsContact CZ3-O 3.25Å; W782-E828 WeakPolarHBondContact CZ3-O 3.47Å; W782-L829 WeakPolarHBondContact O-CD2 3.37Å; W782-F831 HydrophobicContact CH2-CD1 4.32Å; W782-S832 VanDerWaalsContact CE2-CB 3.46Å; W782-L835 HydrophobicContact CZ2-CD2 3.86Å; W782-M904 HydrophobicContact CE3-CE 4.11Å; W782-M904 HydrophobicContact CH2-CE 3.61Å; W782-M904 HydrophobicContact CH2-SD 4.15Å; W782-M904 HydrophobicContact CZ3-CE 3.24Å; W782-M904 HydrophobicContact CZ3-SD 4.31Å
783	A	69.4	Low	71.6	Confident	19 Å²	19	39.3 Å²	39.3	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-33	178.1	0	0	0	0	0	111.4	L736 K779 R780 L785 D786 N787	L736-A783 HydrophobicContact CD1-CB 4.39Å; L736-A783 VanDerWaalsContact CD2-C 3.47Å; L736-A783 HydrophobicContact CD2-CB 3.2Å; L736-A783 WeakPolarHBondContact CD2-O 3.29Å; L736-A783 HydrophobicContact CG-CB 3.77Å; K779-A783 WeakPolarHBondContact O-CB 3.49Å; K779-A783 PolarHBondContact O-N 3.04Å; R780-A783 PolarHBondContact O-N 2.97Å; A783-L785 VanDerWaalsContact C-N 3.34Å; A783-D786 WeakPolarHBondContact O-CB 3.48Å; A783-D786 PolarHBondContact O-N 3.3Å; A783-N787 PolarHBondContact O-N 3.05Å
784	S	73.9	Confident	72.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-40.3	170.3	-59.7	0	0	0	0	112.3	W742 R780 D781 W782 D786 N787 M788	W742-S784 VanDerWaalsContact CE2-OG 3.24Å; W742-S784 PolarHBondContact NE1-OG 3.06Å; R780-S784 VanDerWaalsContact O-CB 3.28Å; R780-S784 WeakPolarHBondContact O-CB 3.3Å; R780-S784 PolarHBondContact O-N 3.15Å; R780-S784 PolarHBondContact O-OG 3.3Å; D781-S784 WeakPolarHBondContact O-CB 3.31Å; W782-S784 PolarHBondContact O-N 2.74Å; S784-D786 VanDerWaalsContact C-N 3.33Å; S784-N787 PolarHBondContact O-N 3.08Å; S784-M788 WeakPolarHBondContact O-CG 3.34Å; S784-M788 PolarHBondContact O-N 3.49Å
785	L	78.8	Confident	73.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-40.7	176.5	-162.3	72.2	0	0	0	111	I760 L763 D781 W782 A783 N787 M788 L789 L825 E828 L829 M904	I760-L785 HydrophobicContact CG2-CD1 4.33Å; L763-L785 HydrophobicContact CD1-CD1 4.45Å; D781-L785 PolarHBondContact O-N 2.99Å; D781-L785 VanDerWaalsContact O-N 3.14Å; W782-L785 HydrophobicContact CE3-CD2 4.15Å; W782-L785 HydrophobicContact CZ3-CD2 4.25Å; W782-L785 WeakPolarHBondContact O-CA 3.33Å; W782-L785 VanDerWaalsContact O-CB 3.26Å; W782-L785 WeakPolarHBondContact O-CB 3.23Å; W782-L785 PolarHBondContact O-N 3.47Å; A783-L785 VanDerWaalsContact C-N 3.34Å; L785-N787 PolarHBondContact O-N 3.11Å; L785-M788 PolarHBondContact O-N 2.94Å; L785-L789 PolarHBondContact O-N 2.99Å; L785-L825 HydrophobicContact CD1-CD2 3.43Å; L785-L825 VanDerWaalsContact CD1-CD2 3.43Å; L785-L825 HydrophobicContact CD2-CD2 4.17Å; L785-L825 HydrophobicContact CG-CD2 3.65Å; L785-E828 HydrophobicContact CD2-CB 4.06Å; L785-L829 HydrophobicContact CB-CD2 4.29Å; L785-L829 HydrophobicContact CD2-CD2 4.39Å; L785-M904 HydrophobicContact CD2-CE 3.49Å; L785-M904 VanDerWaalsContact CD2-CE 3.49Å
786	D	79.2	Confident	75	Confident	66 Å²	66	35.1 Å²	35.1	35%	0.353	18%	0.178	S	C	.	.	H	α-helix	trans	-62.9	-39.2	175	-168.3	35.3	0	0	0	112.6	W782 A783 S784 M788 L789 T790 L829	W782-D786 PolarHBondContact O-N 3.19Å; A783-D786 WeakPolarHBondContact O-CB 3.48Å; A783-D786 PolarHBondContact O-N 3.3Å; S784-D786 VanDerWaalsContact C-N 3.33Å; D786-M788 VanDerWaalsContact C-N 3.34Å; D786-M788 PolarHBondContact O-N 3.48Å; D786-L789 WeakPolarHBondContact O-CB 3.43Å; D786-L789 PolarHBondContact O-N 3.49Å; D786-T790 WeakPolarHBondContact O-CB 3.3Å; D786-T790 PolarHBondContact O-N 3.48Å; D786-T790 PolarHBondContact O-OG1 2.83Å; D786-L829 HydrophobicContact CB-CD1 3.93Å; D786-L829 HydrophobicContact CB-CD2 3.86Å; D786-L829 WeakPolarHBondContact OD1-CD1 3.47Å
787	N	75.3	Confident	75.9	Confident	25 Å²	25	36.1 Å²	36.1	13%	0.134	18%	0.18	C	C	.	.	H	α-helix	trans	-69.2	-31.9	173.6	-74.1	-16.9	0	0	0	113.1	L736 W742 A783 S784 L785 T790 S791	L736-N787 WeakPolarHBondContact CD2-ND2 3.26Å; W742-N787 WeakPolarHBondContact O-CB 3.42Å; W742-N787 PolarHBondContact O-ND2 2.63Å; A783-N787 PolarHBondContact O-N 3.05Å; S784-N787 PolarHBondContact O-N 3.08Å; L785-N787 PolarHBondContact O-N 3.11Å; N787-T790 PolarHBondContact O-N 3.4Å; N787-S791 WeakPolarHBondContact O-CB 3.2Å; N787-S791 PolarHBondContact O-N 3.24Å; N787-S791 PolarHBondContact O-OG 2.87Å
788	M	81.2	Confident	76.4	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-40.1	173	-65.8	-59.9	88.9	0	0	110.7	V756 K759 I760 L763 S784 L785 D786 S791 L792	V756-M788 HydrophobicContact CG1-SD 4.11Å; K759-M788 HydrophobicContact CB-SD 4.18Å; K759-M788 HydrophobicContact CD-SD 3.85Å; I760-M788 HydrophobicContact CD1-CB 4.2Å; I760-M788 HydrophobicContact CG1-CB 3.86Å; I760-M788 HydrophobicContact CG1-CG 4.08Å; L763-M788 HydrophobicContact CD1-CG 4.41Å; S784-M788 WeakPolarHBondContact O-CG 3.34Å; S784-M788 PolarHBondContact O-N 3.49Å; L785-M788 PolarHBondContact O-N 2.94Å; D786-M788 VanDerWaalsContact C-N 3.34Å; D786-M788 PolarHBondContact O-N 3.48Å; M788-S791 WeakPolarHBondContact O-CB 3.18Å; M788-S791 PolarHBondContact O-N 3.33Å; M788-L792 WeakPolarHBondContact O-CG 3.26Å; M788-L792 PolarHBondContact O-N 2.97Å
789	L	83.2	Confident	76.9	Confident	7 Å²	7	44.3 Å²	44.3	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-50.8	170.6	173.2	61.9	0	0	0	110.8	L785 D786 S791 L792 M793 L822 L825 H826 L829	L785-L789 PolarHBondContact O-N 2.99Å; D786-L789 WeakPolarHBondContact O-CB 3.43Å; D786-L789 PolarHBondContact O-N 3.49Å; L789-S791 VanDerWaalsContact C-N 3.29Å; L789-S791 PolarHBondContact O-N 2.85Å; L789-L792 PolarHBondContact O-N 3.47Å; L789-L792 VanDerWaalsContact O-N 3.15Å; L789-M793 HydrophobicContact CD1-CG 4.11Å; L789-M793 HydrophobicContact CD1-SD 3.95Å; L789-M793 HydrophobicContact CD2-SD 4.48Å; L789-M793 HydrophobicContact CG-CG 4.46Å; L789-M793 HydrophobicContact CG-SD 3.9Å; L789-M793 WeakPolarHBondContact O-CG 3.28Å; L789-M793 PolarHBondContact O-N 3.35Å; L789-L822 HydrophobicContact CD1-CB 4.41Å; L789-L822 HydrophobicContact CD1-CD2 3.62Å; L789-L825 HydrophobicContact CB-CB 4.26Å; L789-L825 HydrophobicContact CB-CD1 4.2Å; L789-L825 HydrophobicContact CD1-CB 4.09Å; L789-L825 HydrophobicContact CD1-CD1 4.33Å; L789-H826 HydrophobicContact CD2-CB 4.32Å; L789-L829 HydrophobicContact CD2-CD1 3.55Å
790	T	79.7	Confident	77.3	Confident	39 Å²	39	39.8 Å²	39.8	24%	0.239	22%	0.22	C	C	.	.	H	α-helix	trans	-58.7	-40.3	177.3	-61	0	0	0	0	111.7	D786 N787 M793 Q794	D786-T790 WeakPolarHBondContact O-CB 3.3Å; D786-T790 PolarHBondContact O-N 3.48Å; D786-T790 PolarHBondContact O-OG1 2.83Å; N787-T790 PolarHBondContact O-N 3.4Å; T790-M793 PolarHBondContact O-N 3.26Å; T790-Q794 HydrophobicContact CG2-CG 4.12Å; T790-Q794 VanDerWaalsContact O-CB 3.29Å; T790-Q794 WeakPolarHBondContact O-CB 3.4Å; T790-Q794 VanDerWaalsContact O-CG 3.24Å; T790-Q794 WeakPolarHBondContact O-CG 3.27Å; T790-Q794 PolarHBondContact O-N 3.01Å
791	S	80.2	Confident	78	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-46.2	176.1	-58.8	0	0	0	0	111.4	S744 S745 N787 M788 L789 S795	S744-S791 VanDerWaalsContact CA-OG 3.24Å; S744-S791 WeakPolarHBondContact CA-OG 3.5Å; S745-S791 PolarHBondContact N-OG 3.25Å; S745-S791 WeakPolarHBondContact O-CB 3.34Å; N787-S791 WeakPolarHBondContact O-CB 3.2Å; N787-S791 PolarHBondContact O-N 3.24Å; N787-S791 PolarHBondContact O-OG 2.87Å; M788-S791 WeakPolarHBondContact O-CB 3.18Å; M788-S791 PolarHBondContact O-N 3.33Å; L789-S791 VanDerWaalsContact C-N 3.29Å; L789-S791 PolarHBondContact O-N 2.85Å; S791-S795 WeakPolarHBondContact O-CB 3.44Å; S791-S795 PolarHBondContact O-N 2.86Å; S791-S795 VanDerWaalsContact O-N 3.15Å; S791-S795 PolarHBondContact O-OG 3.4Å
792	L	83.2	Confident	78.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-46.1	177.4	-66.2	173.7	0	0	0	110.9	V756 I760 M788 L789 S795 C796 I804 E821 L822 L825	V756-L792 HydrophobicContact CG1-CD2 3.94Å; V756-L792 HydrophobicContact CG1-CG 4.22Å; I760-L792 HydrophobicContact CD1-CD1 4.11Å; M788-L792 WeakPolarHBondContact O-CG 3.26Å; M788-L792 PolarHBondContact O-N 2.97Å; L789-L792 PolarHBondContact O-N 3.47Å; L789-L792 VanDerWaalsContact O-N 3.15Å; L792-S795 WeakPolarHBondContact O-CB 3.17Å; L792-S795 PolarHBondContact O-N 3.47Å; L792-C796 PolarHBondContact O-N 2.89Å; L792-C796 PolarHBondContact O-SG 2.95Å; L792-C796 VanDerWaalsContact O-SG 3.41Å; L792-I804 HydrophobicContact CB-CD1 4.09Å; L792-I804 HydrophobicContact CD2-CD1 3.42Å; L792-I804 VanDerWaalsContact CD2-CD1 3.42Å; L792-I804 HydrophobicContact CG-CD1 4.36Å; L792-E821 HydrophobicContact CD1-CG 4.15Å; L792-L822 HydrophobicContact CB-CD2 3.64Å; L792-L822 HydrophobicContact CD1-CD2 4.3Å; L792-L825 HydrophobicContact CD1-CD1 3.82Å
793	M	82.8	Confident	78.8	Confident	112 Å²	112	48.2 Å²	48.2	55%	0.552	27%	0.269	S	S	*	.	H	α-helix	trans	-62.5	-44.6	179	-70.1	178.1	67.5	0	0	113	L789 T790 S795 C796 L822	L789-M793 HydrophobicContact CD1-CG 4.11Å; L789-M793 HydrophobicContact CD1-SD 3.95Å; L789-M793 HydrophobicContact CD2-SD 4.48Å; L789-M793 HydrophobicContact CG-CG 4.46Å; L789-M793 HydrophobicContact CG-SD 3.9Å; L789-M793 WeakPolarHBondContact O-CG 3.28Å; L789-M793 PolarHBondContact O-N 3.35Å; T790-M793 PolarHBondContact O-N 3.26Å; M793-S795 PolarHBondContact O-N 3.15Å; M793-C796 WeakPolarHBondContact O-CB 3.38Å; M793-C796 PolarHBondContact O-N 3.31Å; M793-L822 HydrophobicContact CG-CD2 3.87Å
794	Q	81.4	Confident	79.5	Confident	106 Å²	106	47.3 Å²	47.3	50%	0.495	26%	0.261	S	S	.	.	H	α-helix	trans	-67.1	-22.1	177.6	-73.3	175.8	-13.7	0	0	112.6	S744 T790	S744-Q794 PolarHBondContact OG-OE1 2.88Å; T790-Q794 HydrophobicContact CG2-CG 4.12Å; T790-Q794 VanDerWaalsContact O-CB 3.29Å; T790-Q794 WeakPolarHBondContact O-CB 3.4Å; T790-Q794 VanDerWaalsContact O-CG 3.24Å; T790-Q794 WeakPolarHBondContact O-CG 3.27Å; T790-Q794 PolarHBondContact O-N 3.01Å
795	S	85	Confident	80	Confident	15 Å²	15	52.8 Å²	52.8	11%	0.105	28%	0.282	C	S	.	.	H	α-helix	trans	-86.3	-11.9	177.5	-52.9	0	0	0	0	113.1	V747 S791 L792 M793	V747-S795 WeakPolarHBondContact CB-OG 3.5Å; V747-S795 PolarHBondContact N-OG 3.05Å; S791-S795 WeakPolarHBondContact O-CB 3.44Å; S791-S795 PolarHBondContact O-N 2.86Å; S791-S795 VanDerWaalsContact O-N 3.15Å; S791-S795 PolarHBondContact O-OG 3.4Å; L792-S795 WeakPolarHBondContact O-CB 3.17Å; L792-S795 PolarHBondContact O-N 3.47Å; M793-S795 PolarHBondContact O-N 3.15Å
796	C	82.7	Confident	80.3	Confident	14 Å²	14	52.8 Å²	52.8	10%	0.095	28%	0.282	C	S	.	.	S	Bend	trans	-75.5	127.4	172.7	-70.4	0	0	0	0	110	L792 M793 K803	L792-C796 PolarHBondContact O-N 2.89Å; L792-C796 PolarHBondContact O-SG 2.95Å; L792-C796 VanDerWaalsContact O-SG 3.41Å; M793-C796 WeakPolarHBondContact O-CB 3.38Å; M793-C796 PolarHBondContact O-N 3.31Å; C796-K803 PolarHBondContact SG-O 3.38Å
797	P	76.9	Confident	80.5	Confident	41 Å²	41	55.4 Å²	55.4	27%	0.266	29%	0.29	S	S	.	.			trans	-58.1	149.1	171.6	-20.3	32.1	0	0	0	111	N799 E800 K803 R805	P797-N799 PolarHBondContact O-N 2.67Å; P797-E800 CarbonylContact O-C 3.59Å; P797-E800 PolarHBondContact O-N 3.17Å; P797-K803 WeakPolarHBondContact CD-O 3.4Å; P797-R805 HydrophobicContact CG-CB 4.33Å
798	A	73.2	Confident	80.5	Confident	88 Å²	88	54.9 Å²	54.9	73%	0.727	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-28.8	-177.1	0	0	0	0	0	114.4
799	N	74.5	Confident	80	Confident	160 Å²	160	66.7 Å²	66.7	86%	0.856	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.8	-179.5	-60	-3.5	0	0	0	113.4	P797	P797-N799 PolarHBondContact O-N 2.67Å
800	E	72.6	Confident	79.4	Confident	61 Å²	61	69.2 Å²	69.2	29%	0.285	35%	0.354	S	S	.	.			trans	-135.3	70.4	-175	-69	-174.1	-148.9	0	0	110.2	P797 T802 K803 L815	P797-E800 CarbonylContact O-C 3.59Å; P797-E800 PolarHBondContact O-N 3.17Å; E800-T802 PolarHBondContact O-N 2.85Å; E800-K803 HydrophobicContact CB-CB 4.29Å; E800-K803 PolarHBondContact O-N 3.01Å; E800-K803 VanDerWaalsContact O-N 3.16Å; E800-K803 WeakPolarHBondContact OE2-CD 3.37Å; E800-L815 WeakPolarHBondContact OE2-CD2 3.45Å
801	L	77.4	Confident	79	Confident	129 Å²	129	69.6 Å²	69.6	68%	0.675	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-6.7	-173.4	-61.5	176.5	0	0	0	115.3
802	T	80.4	Confident	78.8	Confident	52 Å²	52	72.4 Å²	72.4	32%	0.319	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-4	-178.9	57.3	0	0	0	0	113.8	E800 V818 N819	E800-T802 PolarHBondContact O-N 2.85Å; T802-V818 WeakPolarHBondContact O-CG2 3.38Å; T802-V818 PolarHBondContact O-N 3.45Å; T802-N819 HydrophobicContact CG2-CB 3.97Å; T802-N819 WeakPolarHBondContact CG2-OD1 3.49Å
803	K	83.7	Confident	78.7	Confident	77 Å²	77	76 Å²	76	34%	0.335	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.7	-176.9	-61.5	-175.7	178.5	-177.5	0	110.5	C796 P797 E800 L815 I816 D817	C796-K803 PolarHBondContact SG-O 3.38Å; P797-K803 WeakPolarHBondContact CD-O 3.4Å; E800-K803 HydrophobicContact CB-CB 4.29Å; E800-K803 PolarHBondContact O-N 3.01Å; E800-K803 VanDerWaalsContact O-N 3.16Å; E800-K803 WeakPolarHBondContact OE2-CD 3.37Å; K803-L815 HydrophobicContact CB-CD2 4.44Å; K803-L815 HydrophobicContact CD-CB 4.42Å; K803-I816 CarbonylContact C-O 3.57Å; K803-I816 VanDerWaalsContact CA-O 3.31Å; K803-I816 WeakPolarHBondContact CA-O 3.4Å; K803-D817 HydrophobicContact CG-CB 4.45Å
804	I	84.3	Confident	78.4	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.5	174.2	-60.3	176.9	0	0	0	108.3	V747 L792 V806 L815 I816 V818	V747-I804 HydrophobicContact CB-CG2 4.4Å; V747-I804 HydrophobicContact CG1-CG2 4.37Å; L792-I804 HydrophobicContact CB-CD1 4.09Å; L792-I804 HydrophobicContact CD2-CD1 3.42Å; L792-I804 VanDerWaalsContact CD2-CD1 3.42Å; L792-I804 HydrophobicContact CG-CD1 4.36Å; I804-V806 HydrophobicContact CG2-CG1 3.82Å; I804-L815 WeakPolarHBondContact O-CA 3.26Å; I804-I816 PolarHBondContact N-O 3.17Å; I804-I816 PolarHBondContact O-N 3.46Å; I804-V818 HydrophobicContact CD1-CB 4.5Å; I804-V818 HydrophobicContact CD1-CG1 3.91Å; I804-V818 HydrophobicContact CD1-CG2 3.94Å; I804-V818 HydrophobicContact CG1-CG1 4.24Å; I804-V818 HydrophobicContact CG1-CG2 3.84Å
805	R	85.2	Confident	78.4	Confident	115 Å²	115	69.8 Å²	69.8	43%	0.434	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	114.8	172.9	-175.4	-179.3	-67.9	-134.1	4.4	109.5	P797 D813 L814 L815	P797-R805 HydrophobicContact CG-CB 4.33Å; R805-D813 WeakPolarHBondContact CD-OD2 3.45Å; R805-D813 HydrophobicContact CG-CB 4.17Å; R805-D813 IonicContact CZ-OD2 3.64Å; R805-D813 IonicContact NE-OD2 2.69Å; R805-D813 IonicContact NH1-OD2 3.61Å; R805-D813 PolarHBondContact NH1-OD2 2.88Å; R805-L814 WeakPolarHBondContact CA-O 3.38Å; R805-L815 HydrophobicContact CB-CD2 3.93Å; R805-L815 HydrophobicContact CG-CD2 4.36Å
806	V	84.7	Confident	78.1	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.8	177.4	-59.4	0	0	0	0	111.2	V747 T748 L750 F753 I804 L814 I816	V747-V806 HydrophobicContact CG1-CG1 4.05Å; T748-V806 WeakPolarHBondContact O-CA 3.33Å; L750-V806 HydrophobicContact CB-CG2 4.39Å; L750-V806 HydrophobicContact CD1-CG2 4.12Å; F753-V806 HydrophobicContact CB-CG1 4.27Å; I804-V806 HydrophobicContact CG2-CG1 3.82Å; V806-L814 HydrophobicContact CG2-CB 3.98Å; V806-L814 PolarHBondContact N-O 2.98Å; V806-L814 PolarHBondContact O-N 2.72Å; V806-I816 HydrophobicContact CG1-CD1 4.47Å; V806-I816 HydrophobicContact CG2-CD1 3.67Å; V806-I816 HydrophobicContact CG2-CG1 4.18Å
807	K	83.1	Confident	78	Confident	121 Å²	121	70.6 Å²	70.6	53%	0.526	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	132.5	172	-66.4	-167.3	174.7	-169.1	0	111.1	T748 L750 N812	T748-K807 PolarHBondContact O-N 3.33Å; L750-K807 PolarHBondContact N-O 3.48Å; K807-N812 WeakPolarHBondContact CA-O 3.32Å
808	T	76	Confident	78.3	Confident	14 Å²	14	68.8 Å²	68.8	9%	0.086	36%	0.362	C	S	.	.			trans	-76.8	169.9	170.3	72.2	0	0	0	0	110.9	A810 G811 N812 L814 E996	T808-A810 PolarHBondContact O-N 2.91Å; T808-A810 PolarHBondContact OG1-N 3.47Å; T808-G811 PolarHBondContact O-N 3.38Å; T808-G811 PolarHBondContact OG1-N 3.41Å; T808-N812 HydrophobicContact CG2-CB 4.44Å; T808-N812 PolarHBondContact N-O 3.1Å; T808-N812 PolarHBondContact OG1-N 2.93Å; T808-L814 HydrophobicContact CG2-CD1 3.24Å; T808-L814 HydrophobicContact CG2-CG 3.54Å; T808-E996 HydrophobicContact CG2-CB 3.99Å; T808-E996 HydrophobicContact CG2-CG 4.16Å; T808-E996 PolarHBondContact OG1-OE1 3.39Å
809	R	70.7	Confident	78.8	Confident	249 Å²	249	67.8 Å²	67.8	94%	0.94	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.1	172.4	-69.3	-175.9	-178.6	-178.4	0.8	112.6	G811	R809-G811 PolarHBondContact O-N 3.08Å
810	A	69.5	Low	79	Confident	60 Å²	60	61.3 Å²	61.3	50%	0.496	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-6.2	175.1	0	0	0	0	0	113.2	T808 P993	T808-A810 PolarHBondContact O-N 2.91Å; T808-A810 PolarHBondContact OG1-N 3.47Å; A810-P993 HydrophobicContact CB-CG 4.43Å
811	G	71.6	Confident	79.6	Confident	47 Å²	47	58.6 Å²	58.6	49%	0.485	30%	0.297	S	S	.	.	S	Bend	trans	88.2	3	-179.5	0	0	0	0	0	115	T808 R809	T808-G811 PolarHBondContact O-N 3.38Å; T808-G811 PolarHBondContact OG1-N 3.41Å; R809-G811 PolarHBondContact O-N 3.08Å
812	N	76.1	Confident	79.9	Confident	58 Å²	58	53.4 Å²	53.4	31%	0.31	27%	0.27	S	S	.	.			trans	-75.2	145.4	176.6	-63.5	-39.2	0	0	0	111.2	K807 T808 P993 E996	K807-N812 WeakPolarHBondContact CA-O 3.32Å; T808-N812 HydrophobicContact CG2-CB 4.44Å; T808-N812 PolarHBondContact N-O 3.1Å; T808-N812 PolarHBondContact OG1-N 2.93Å; N812-P993 WeakPolarHBondContact ND2-CB 3.44Å; N812-E996 PolarHBondContact ND2-OE1 3.35Å
813	D	80.3	Confident	80.2	Confident	78 Å²	78	52.8 Å²	52.8	42%	0.417	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126	172.9	-78.2	-6.9	0	0	0	109.7	R805	R805-D813 WeakPolarHBondContact CD-OD2 3.45Å; R805-D813 HydrophobicContact CG-CB 4.17Å; R805-D813 IonicContact CZ-OD2 3.64Å; R805-D813 IonicContact NE-OD2 2.69Å; R805-D813 IonicContact NH1-OD2 3.61Å; R805-D813 PolarHBondContact NH1-OD2 2.88Å
814	L	78.1	Confident	80.3	Confident	18 Å²	18	49.9 Å²	49.9	9%	0.094	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.2	169.9	-68.5	175	0	0	0	110	R805 V806 T808 E996 I997 I1000	R805-L814 WeakPolarHBondContact CA-O 3.38Å; V806-L814 HydrophobicContact CG2-CB 3.98Å; V806-L814 PolarHBondContact N-O 2.98Å; V806-L814 PolarHBondContact O-N 2.72Å; T808-L814 HydrophobicContact CG2-CD1 3.24Å; T808-L814 HydrophobicContact CG2-CG 3.54Å; L814-E996 HydrophobicContact CD1-CB 3.99Å; L814-I997 HydrophobicContact CD2-CB 4.13Å; L814-I997 HydrophobicContact CD2-CD1 4.4Å; L814-I1000 HydrophobicContact CD1-CD1 3.47Å; L814-I1000 VanDerWaalsContact CD1-CD1 3.47Å
815	L	79.9	Confident	80.4	Confident	69 Å²	69	49.9 Å²	49.9	36%	0.361	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.3	172.6	-69.9	170.9	0	0	0	109.4	E800 K803 I804 R805	E800-L815 WeakPolarHBondContact OE2-CD2 3.45Å; K803-L815 HydrophobicContact CB-CD2 4.44Å; K803-L815 HydrophobicContact CD-CB 4.42Å; I804-L815 WeakPolarHBondContact O-CA 3.26Å; R805-L815 HydrophobicContact CB-CD2 3.93Å; R805-L815 HydrophobicContact CG-CD2 4.36Å
816	I	80.1	Confident	80.5	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.7	178.1	-56.8	176.6	0	0	0	108.6	L750 F753 K803 I804 V806 V818 T896 I1000	L750-I816 HydrophobicContact CD1-CD1 3.91Å; F753-I816 HydrophobicContact CD1-CD1 3.76Å; F753-I816 HydrophobicContact CD2-CD1 4.48Å; F753-I816 HydrophobicContact CE1-CD1 3.88Å; F753-I816 HydrophobicContact CE1-CG2 4.17Å; F753-I816 HydrophobicContact CE2-CG2 4.21Å; F753-I816 HydrophobicContact CG-CD1 4.08Å; F753-I816 HydrophobicContact CZ-CD1 4.31Å; F753-I816 HydrophobicContact CZ-CG2 3.75Å; K803-I816 CarbonylContact C-O 3.57Å; K803-I816 VanDerWaalsContact CA-O 3.31Å; K803-I816 WeakPolarHBondContact CA-O 3.4Å; I804-I816 PolarHBondContact N-O 3.17Å; I804-I816 PolarHBondContact O-N 3.46Å; V806-I816 HydrophobicContact CG1-CD1 4.47Å; V806-I816 HydrophobicContact CG2-CD1 3.67Å; V806-I816 HydrophobicContact CG2-CG1 4.18Å; I816-V818 HydrophobicContact CG2-CG1 4.26Å; I816-V818 PolarHBondContact O-N 2.95Å; I816-T896 HydrophobicContact CG2-CG2 4.01Å; I816-I1000 HydrophobicContact CD1-CD1 4.34Å; I816-I1000 HydrophobicContact CD1-CG2 4.17Å; I816-I1000 HydrophobicContact CG1-CG2 4.47Å
817	D	79.6	Confident	80.5	Confident	43 Å²	43	48.7 Å²	48.7	23%	0.23	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	119.4	173.3	-167.5	-29.7	0	0	0	110.3	K803 N819 S895	K803-D817 HydrophobicContact CG-CB 4.45Å; D817-N819 WeakPolarHBondContact OD1-CB 3.29Å; D817-N819 PolarHBondContact OD1-N 2.86Å; D817-S895 PolarHBondContact O-OG 3.14Å
818	V	83.8	Confident	80.7	Confident	3 Å²	3	43 Å²	43	2%	0.018	23%	0.228	C	C	.	.			trans	-115.6	10.4	-179.7	-64	0	0	0	0	112.5	F753 T802 I804 I816 N820 E821 L822	F753-V818 HydrophobicContact CE2-CG1 3.79Å; F753-V818 HydrophobicContact CZ-CG1 4.34Å; T802-V818 WeakPolarHBondContact O-CG2 3.38Å; T802-V818 PolarHBondContact O-N 3.45Å; I804-V818 HydrophobicContact CD1-CB 4.5Å; I804-V818 HydrophobicContact CD1-CG1 3.91Å; I804-V818 HydrophobicContact CD1-CG2 3.94Å; I804-V818 HydrophobicContact CG1-CG1 4.24Å; I804-V818 HydrophobicContact CG1-CG2 3.84Å; I816-V818 HydrophobicContact CG2-CG1 4.26Å; I816-V818 PolarHBondContact O-N 2.95Å; V818-N820 VanDerWaalsContact C-N 3.32Å; V818-N820 PolarHBondContact O-N 3.05Å; V818-E821 PolarHBondContact O-N 2.86Å; V818-L822 HydrophobicContact CG2-CD1 3.92Å; V818-L822 HydrophobicContact CG2-CG 4.07Å; V818-L822 WeakPolarHBondContact O-CG 3.45Å; V818-L822 PolarHBondContact O-N 3.4Å
819	N	83.4	Confident	81.1	Confident	67 Å²	67	43.4 Å²	43.4	36%	0.358	23%	0.23	S	C	.	.	H	α-helix	trans	-52.8	-48.1	-173.6	-172.5	35.8	0	0	0	112.7	T802 D817 E821 L822 V823	T802-N819 HydrophobicContact CG2-CB 3.97Å; T802-N819 WeakPolarHBondContact CG2-OD1 3.49Å; D817-N819 WeakPolarHBondContact OD1-CB 3.29Å; D817-N819 PolarHBondContact OD1-N 2.86Å; N819-E821 VanDerWaalsContact C-N 3.3Å; N819-E821 PolarHBondContact O-N 3.46Å; N819-L822 PolarHBondContact O-N 3.07Å; N819-V823 WeakPolarHBondContact O-CG2 3.16Å; N819-V823 PolarHBondContact O-N 3.16Å
820	N	79.1	Confident	81.7	Confident	24 Å²	24	34.5 Å²	34.5	13%	0.128	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-42.4	178.9	-79.5	-12.1	0	0	0	112.1	V818 V823 Q824 R893 T894 Y1020	V818-N820 VanDerWaalsContact C-N 3.32Å; V818-N820 PolarHBondContact O-N 3.05Å; N820-V823 PolarHBondContact O-N 3.14Å; N820-Q824 WeakPolarHBondContact O-CB 3.12Å; N820-Q824 VanDerWaalsContact O-CG 3.25Å; N820-Q824 WeakPolarHBondContact O-CG 3.36Å; N820-Q824 PolarHBondContact O-N 3.05Å; N820-R893 PolarHBondContact ND2-O 2.91Å; N820-T894 HydrophobicContact CB-CG2 4.04Å; N820-Y1020 PolarHBondContact ND2-OH 2.76Å; N820-Y1020 PolarHBondContact OD1-OH 3.46Å
821	E	84.3	Confident	82.3	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-67.2	-43.8	-179.1	-170.7	62.7	-145.9	0	0	110.7	I760 R764 L792 V818 N819 V823 Q824 L825 M899	I760-E821 HydrophobicContact CD1-CG 4.48Å; R764-E821 IonicContact CZ-OE1 3.29Å; R764-E821 IonicContact NH1-OE1 2.59Å; R764-E821 PolarHBondContact NH1-OE1 3.42Å; R764-E821 IonicContact NH1-OE2 2.93Å; R764-E821 PolarHBondContact NH1-OE2 3.12Å; R764-E821 IonicContact NH2-OE1 3.21Å; R764-E821 PolarHBondContact NH2-OE1 3.42Å; L792-E821 HydrophobicContact CD1-CG 4.15Å; V818-E821 PolarHBondContact O-N 2.86Å; N819-E821 VanDerWaalsContact C-N 3.3Å; N819-E821 PolarHBondContact O-N 3.46Å; E821-V823 VanDerWaalsContact C-N 3.33Å; E821-V823 PolarHBondContact O-N 3.3Å; E821-Q824 PolarHBondContact O-N 3.25Å; E821-L825 HydrophobicContact CG-CD1 3.92Å; E821-L825 HydrophobicContact CG-CG 4.24Å; E821-L825 WeakPolarHBondContact O-CB 3.32Å; E821-L825 VanDerWaalsContact O-CG 3.25Å; E821-L825 WeakPolarHBondContact O-CG 3.21Å; E821-L825 PolarHBondContact O-N 2.75Å; E821-M899 HydrophobicContact CB-CB 4.41Å; E821-M899 HydrophobicContact CB-CG 4.4Å; E821-M899 HydrophobicContact CB-SD 4.09Å; E821-M899 HydrophobicContact CG-SD 3.63Å; E821-M899 VanDerWaalsContact OE2-O 3.08Å
822	L	85.2	Confident	82.5	Confident	19 Å²	19	31.1 Å²	31.1	10%	0.099	16%	0.163	C	C	.	.	H	α-helix	trans	-56.9	-47.5	175.3	-66.3	176.9	0	0	0	111.4	L789 L792 M793 V818 N819 H826	L789-L822 HydrophobicContact CD1-CB 4.41Å; L789-L822 HydrophobicContact CD1-CD2 3.62Å; L792-L822 HydrophobicContact CB-CD2 3.64Å; L792-L822 HydrophobicContact CD1-CD2 4.3Å; M793-L822 HydrophobicContact CG-CD2 3.87Å; V818-L822 HydrophobicContact CG2-CD1 3.92Å; V818-L822 HydrophobicContact CG2-CG 4.07Å; V818-L822 WeakPolarHBondContact O-CG 3.45Å; V818-L822 PolarHBondContact O-N 3.4Å; N819-L822 PolarHBondContact O-N 3.07Å; L822-H826 WeakPolarHBondContact O-CB 3.33Å; L822-H826 PolarHBondContact O-N 3.38Å
823	V	84.9	Confident	82.5	Confident	39 Å²	39	36 Å²	36	24%	0.236	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-43.9	178.2	169.6	0	0	0	0	111.4	N819 N820 E821 K827 Y854	N819-V823 WeakPolarHBondContact O-CG2 3.16Å; N819-V823 PolarHBondContact O-N 3.16Å; N820-V823 PolarHBondContact O-N 3.14Å; E821-V823 VanDerWaalsContact C-N 3.33Å; E821-V823 PolarHBondContact O-N 3.3Å; V823-K827 WeakPolarHBondContact O-CB 3.48Å; V823-K827 PolarHBondContact O-N 3.29Å; V823-Y854 HydrophobicContact CG1-CD1 3.7Å; V823-Y854 HydrophobicContact CG1-CE1 4.36Å; V823-Y854 HydrophobicContact CG1-CG 4.44Å
824	Q	85.6	Confident	81.9	Confident	16 Å²	16	34.4 Å²	34.4	8%	0.075	18%	0.175	C	C	.	.	H	α-helix	trans	-68.2	-44	179.7	-67.5	-61.5	-4.1	0	0	112	N820 E821 H826 K827 E828 P903 Y905	N820-Q824 WeakPolarHBondContact O-CB 3.12Å; N820-Q824 VanDerWaalsContact O-CG 3.25Å; N820-Q824 WeakPolarHBondContact O-CG 3.36Å; N820-Q824 PolarHBondContact O-N 3.05Å; E821-Q824 PolarHBondContact O-N 3.25Å; Q824-H826 VanDerWaalsContact C-N 3.34Å; Q824-H826 PolarHBondContact O-N 3.02Å; Q824-K827 PolarHBondContact O-N 3.22Å; Q824-E828 WeakPolarHBondContact O-CB 3.36Å; Q824-E828 VanDerWaalsContact O-CG 3.26Å; Q824-E828 WeakPolarHBondContact O-CG 3.27Å; Q824-E828 PolarHBondContact O-N 2.95Å; Q824-P903 HydrophobicContact CB-CG 4.46Å; Q824-P903 VanDerWaalsContact CD-CG 3.45Å; Q824-P903 HydrophobicContact CG-CG 4.02Å; Q824-P903 VanDerWaalsContact OE1-CG 3.29Å; Q824-Y905 PolarHBondContact OE1-OH 3.29Å
825	L	87.3	Confident	81.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-44.2	176.4	-70.4	171.5	0	0	0	111.3	I760 L785 L789 L792 E821 K827 E828 L829	I760-L825 HydrophobicContact CD1-CD1 4.07Å; I760-L825 HydrophobicContact CG2-CD2 4.01Å; L785-L825 HydrophobicContact CD1-CD2 3.43Å; L785-L825 VanDerWaalsContact CD1-CD2 3.43Å; L785-L825 HydrophobicContact CD2-CD2 4.17Å; L785-L825 HydrophobicContact CG-CD2 3.65Å; L789-L825 HydrophobicContact CB-CB 4.26Å; L789-L825 HydrophobicContact CB-CD1 4.2Å; L789-L825 HydrophobicContact CD1-CB 4.09Å; L789-L825 HydrophobicContact CD1-CD1 4.33Å; L792-L825 HydrophobicContact CD1-CD1 3.82Å; E821-L825 HydrophobicContact CG-CD1 3.92Å; E821-L825 HydrophobicContact CG-CG 4.24Å; E821-L825 WeakPolarHBondContact O-CB 3.32Å; E821-L825 VanDerWaalsContact O-CG 3.25Å; E821-L825 WeakPolarHBondContact O-CG 3.21Å; E821-L825 PolarHBondContact O-N 2.75Å; L825-K827 VanDerWaalsContact C-N 3.34Å; L825-K827 PolarHBondContact O-N 2.98Å; L825-E828 PolarHBondContact O-N 3.5Å; L825-L829 WeakPolarHBondContact O-CG 3.32Å; L825-L829 PolarHBondContact O-N 2.89Å
826	H	86.3	Confident	80.1	Confident	91 Å²	91	33.2 Å²	33.2	42%	0.421	17%	0.171	S	C	.	.	H	α-helix	trans	-63.1	-42	178	-166.5	65.3	0	0	0	111.9	L789 L822 Q824 L829 K830 Y854	L789-H826 HydrophobicContact CD2-CB 4.32Å; L822-H826 WeakPolarHBondContact O-CB 3.33Å; L822-H826 PolarHBondContact O-N 3.38Å; Q824-H826 VanDerWaalsContact C-N 3.34Å; Q824-H826 PolarHBondContact O-N 3.02Å; H826-L829 PolarHBondContact O-N 3.42Å; H826-K830 PolarHBondContact O-N 3.33Å; H826-K830 VanDerWaalsContact O-N 3.16Å; H826-Y854 PolarHBondContact CD2-OH 2.95Å
827	K	86.6	Confident	78.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-40.2	174.4	-174.6	-168.7	-66.9	169.2	0	112.1	V823 Q824 L825 K830 F831 L851 Y854 Y905 E1151	V823-K827 WeakPolarHBondContact O-CB 3.48Å; V823-K827 PolarHBondContact O-N 3.29Å; Q824-K827 PolarHBondContact O-N 3.22Å; L825-K827 VanDerWaalsContact C-N 3.34Å; L825-K827 PolarHBondContact O-N 2.98Å; K827-K830 PolarHBondContact O-N 2.98Å; K827-F831 WeakPolarHBondContact O-CB 3.27Å; K827-F831 PolarHBondContact O-N 2.85Å; K827-L851 HydrophobicContact CD-CD2 3.88Å; K827-Y854 HydrophobicContact CB-CD2 4.21Å; K827-Y854 HydrophobicContact CB-CE1 4.36Å; K827-Y854 HydrophobicContact CB-CE2 3.91Å; K827-Y854 HydrophobicContact CD-CD2 4.19Å; K827-Y854 VanDerWaalsContact CE-CB 3.47Å; K827-Y854 VanDerWaalsContact CE-CD2 3.46Å; K827-Y854 VanDerWaalsContact CE-CG 3.43Å; K827-Y854 HydrophobicContact CG-CD2 3.89Å; K827-Y854 HydrophobicContact CG-CE2 3.82Å; K827-Y905 HydrophobicContact CD-CD1 4.39Å; K827-Y905 HydrophobicContact CD-CE1 3.45Å; K827-Y905 VanDerWaalsContact CD-CE1 3.45Å; K827-Y905 HydrophobicContact CD-CE2 4.49Å; K827-Y905 WeakPolarHBondContact CD-OH 3.31Å; K827-Y905 HydrophobicContact CG-CE1 4.12Å; K827-Y905 PolarHBondContact NZ-OH 3.49Å; K827-Y905 VanDerWaalsContact NZ-OH 3.14Å; K827-E1151 IonicContact NZ-OE1 3.9Å; K827-E1151 PolarHBondContact NZ-OE1 3.09Å
828	E	87.4	Confident	76.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-38.1	176.7	-76.6	175.1	145.3	0	0	112.4	R764 W782 L785 Q824 L825 F831 S832 P903 M904 Y905	R764-E828 IonicContact CZ-OE1 3.22Å; R764-E828 IonicContact CZ-OE2 2.9Å; R764-E828 VanDerWaalsContact NE-CD 3.34Å; R764-E828 IonicContact NE-OE1 3.11Å; R764-E828 PolarHBondContact NE-OE1 2.94Å; R764-E828 IonicContact NE-OE2 3.42Å; R764-E828 PolarHBondContact NE-OE2 3.42Å; R764-E828 IonicContact NH2-OE1 3.1Å; R764-E828 IonicContact NH2-OE2 3.11Å; R764-E828 PolarHBondContact NH2-OE2 3.12Å; W782-E828 HydrophobicContact CZ3-CB 4.44Å; W782-E828 VanDerWaalsContact CZ3-O 3.25Å; W782-E828 WeakPolarHBondContact CZ3-O 3.47Å; L785-E828 HydrophobicContact CD2-CB 4.06Å; Q824-E828 WeakPolarHBondContact O-CB 3.36Å; Q824-E828 VanDerWaalsContact O-CG 3.26Å; Q824-E828 WeakPolarHBondContact O-CG 3.27Å; Q824-E828 PolarHBondContact O-N 2.95Å; L825-E828 PolarHBondContact O-N 3.5Å; E828-F831 CarbonylContact O-C 3.58Å; E828-F831 WeakPolarHBondContact O-CB 3.42Å; E828-F831 PolarHBondContact O-N 2.93Å; E828-S832 PolarHBondContact O-N 2.98Å; E828-P903 VanDerWaalsContact OE1-CA 3.29Å; E828-P903 WeakPolarHBondContact OE1-CA 3.39Å; E828-M904 HydrophobicContact CB-CE 3.86Å; E828-M904 HydrophobicContact CG-CE 3.97Å; E828-M904 WeakPolarHBondContact OE1-CG 3.5Å; E828-M904 PolarHBondContact OE1-N 3.38Å; E828-Y905 HydrophobicContact CG-CD1 4.25Å; E828-Y905 HydrophobicContact CG-CE1 4.42Å
829	L	83.6	Confident	74.4	Confident	23 Å²	23	47.4 Å²	47.4	12%	0.12	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-40.3	174.8	-70	168.3	0	0	0	111.8	W782 L785 D786 L789 L825 H826 S832	W782-L829 WeakPolarHBondContact O-CD2 3.37Å; L785-L829 HydrophobicContact CB-CD2 4.29Å; L785-L829 HydrophobicContact CD2-CD2 4.39Å; D786-L829 HydrophobicContact CB-CD1 3.93Å; D786-L829 HydrophobicContact CB-CD2 3.86Å; D786-L829 WeakPolarHBondContact OD1-CD1 3.47Å; L789-L829 HydrophobicContact CD2-CD1 3.55Å; L825-L829 WeakPolarHBondContact O-CG 3.32Å; L825-L829 PolarHBondContact O-N 2.89Å; H826-L829 PolarHBondContact O-N 3.42Å; L829-S832 WeakPolarHBondContact O-CB 3.37Å; L829-S832 PolarHBondContact O-N 3.46Å; L829-S832 PolarHBondContact O-OG 3.46Å
830	K	83.6	Confident	72.4	Confident	62 Å²	62	54.2 Å²	54.2	27%	0.27	28%	0.275	S	S	.	.	H	α-helix	trans	-65.6	-39.6	169.7	-72.2	-171.2	-179	172.5	0	112.2	H826 K827 S832 Q833 L850 E853 Y854	H826-K830 PolarHBondContact O-N 3.33Å; H826-K830 VanDerWaalsContact O-N 3.16Å; K827-K830 PolarHBondContact O-N 2.98Å; K830-S832 PolarHBondContact O-N 3.29Å; K830-Q833 WeakPolarHBondContact O-CB 3.31Å; K830-Q833 PolarHBondContact O-N 3.09Å; K830-Q833 VanDerWaalsContact O-N 3.07Å; K830-L850 HydrophobicContact CB-CD1 3.46Å; K830-L850 VanDerWaalsContact CB-CD1 3.46Å; K830-L850 HydrophobicContact CB-CD2 4.25Å; K830-L850 HydrophobicContact CD-CD1 3.58Å; K830-L850 HydrophobicContact CG-CD1 4.2Å; K830-E853 IonicContact NZ-OE2 3.01Å; K830-E853 PolarHBondContact NZ-OE2 3.25Å; K830-Y854 WeakPolarHBondContact CD-OH 3.34Å; K830-Y854 WeakPolarHBondContact CE-OH 3.31Å; K830-Y854 PolarHBondContact NZ-OH 3.4Å
831	F	81.8	Confident	71.1	Confident	5 Å²	5	58.5 Å²	58.5	2%	0.022	30%	0.298	C	S	.	.	H	α-helix	trans	-58.8	-36.1	175.3	178	-105.9	0	0	0	111.7	W782 K827 E828 Q833 I834 L835 L842 F847 L850 L908	W782-F831 HydrophobicContact CH2-CD1 4.32Å; K827-F831 WeakPolarHBondContact O-CB 3.27Å; K827-F831 PolarHBondContact O-N 2.85Å; E828-F831 CarbonylContact O-C 3.58Å; E828-F831 WeakPolarHBondContact O-CB 3.42Å; E828-F831 PolarHBondContact O-N 2.93Å; F831-Q833 PolarHBondContact O-N 3.24Å; F831-I834 HydrophobicContact CD2-CD1 3.95Å; F831-I834 HydrophobicContact CD2-CG1 4.02Å; F831-I834 WeakPolarHBondContact O-CG1 3.41Å; F831-I834 PolarHBondContact O-N 2.94Å; F831-I834 VanDerWaalsContact O-N 3.11Å; F831-L835 HydrophobicContact CE1-CB 4.41Å; F831-L835 HydrophobicContact CE1-CD1 3.74Å; F831-L835 HydrophobicContact CE1-CG 4.47Å; F831-L835 HydrophobicContact CZ-CD1 3.7Å; F831-L835 WeakPolarHBondContact O-CB 3.21Å; F831-L835 PolarHBondContact O-N 2.83Å; F831-L842 HydrophobicContact CE2-CD1 3.93Å; F831-L842 HydrophobicContact CE2-CD2 4.12Å; F831-L842 HydrophobicContact CZ-CD1 4.37Å; F831-F847 AromaticContact CD2-CD2 3.91Å; F831-F847 HydrophobicContact CD2-CD2 3.91Å; F831-F847 AromaticContact CD2-CE2 3.75Å; F831-F847 HydrophobicContact CD2-CE2 3.75Å; F831-F847 AromaticContact CE2-CD2 3.8Å; F831-F847 HydrophobicContact CE2-CD2 3.8Å; F831-F847 AromaticContact CE2-CE2 3.58Å; F831-F847 HydrophobicContact CE2-CE2 3.58Å; F831-L850 HydrophobicContact CB-CD2 3.91Å; F831-L850 HydrophobicContact CD2-CD2 4.42Å; F831-L908 HydrophobicContact CE1-CD1 3.9Å; F831-L908 HydrophobicContact CZ-CD1 4.17Å
832	S	76.5	Confident	69.9	Low	32 Å²	32	59.1 Å²	59.1	22%	0.224	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-28.5	176.3	83.1	0	0	0	0	114.2	W782 E828 L829 K830	W782-S832 VanDerWaalsContact CE2-CB 3.46Å; E828-S832 PolarHBondContact O-N 2.98Å; L829-S832 WeakPolarHBondContact O-CB 3.37Å; L829-S832 PolarHBondContact O-N 3.46Å; L829-S832 PolarHBondContact O-OG 3.46Å; K830-S832 PolarHBondContact O-N 3.29Å
833	Q	74.5	Confident	69.1	Low	159 Å²	159	62.3 Å²	62.3	74%	0.743	32%	0.319	S	S	*	.	H	α-helix	trans	-78	-24.6	-179.1	-60.2	174.9	-11.4	0	0	112.2	K830 F831	K830-Q833 WeakPolarHBondContact O-CB 3.31Å; K830-Q833 PolarHBondContact O-N 3.09Å; K830-Q833 VanDerWaalsContact O-N 3.07Å; F831-Q833 PolarHBondContact O-N 3.24Å
834	I	69.5	Low	68.7	Low	46 Å²	46	61.9 Å²	61.9	24%	0.236	31%	0.314	C	S	.	.	H	α-helix	trans	-101.6	-16.2	179	65	165.9	0	0	0	112.1	F831 L842 T846 F847 L850	F831-I834 HydrophobicContact CD2-CD1 3.95Å; F831-I834 HydrophobicContact CD2-CG1 4.02Å; F831-I834 WeakPolarHBondContact O-CG1 3.41Å; F831-I834 PolarHBondContact O-N 2.94Å; F831-I834 VanDerWaalsContact O-N 3.11Å; I834-L842 HydrophobicContact CD1-CD1 4.44Å; I834-L842 HydrophobicContact CG1-CD1 4.29Å; I834-L842 WeakPolarHBondContact O-CD1 3.28Å; I834-T846 HydrophobicContact CB-CG2 4.3Å; I834-T846 HydrophobicContact CD1-CG2 4.46Å; I834-T846 HydrophobicContact CG2-CG2 3.58Å; I834-F847 HydrophobicContact CD1-CB 4.26Å; I834-F847 HydrophobicContact CD1-CD2 4.05Å; I834-L850 HydrophobicContact CD1-CB 4.46Å; I834-L850 HydrophobicContact CD1-CD2 3.67Å; I834-L850 HydrophobicContact CG1-CD2 4.34Å
835	L	66.8	Low	68.2	Low	20 Å²	20	68.4 Å²	68.4	11%	0.105	34%	0.342	C	S	.	.	S	Bend	trans	-60.4	128.7	176.3	-173.6	71.1	0	0	0	109	V771 W782 F831 L837 L908	V771-L835 HydrophobicContact CG2-CD2 4.01Å; W782-L835 HydrophobicContact CZ2-CD2 3.86Å; F831-L835 HydrophobicContact CE1-CB 4.41Å; F831-L835 HydrophobicContact CE1-CD1 3.74Å; F831-L835 HydrophobicContact CE1-CG 4.47Å; F831-L835 HydrophobicContact CZ-CD1 3.7Å; F831-L835 WeakPolarHBondContact O-CB 3.21Å; F831-L835 PolarHBondContact O-N 2.83Å; L835-L837 PolarHBondContact O-N 2.8Å; L835-L908 HydrophobicContact CD1-CD1 4.27Å
836	P	51.8	Low	67.9	Low	42 Å²	42	71.4 Å²	71.4	27%	0.273	36%	0.36	S	S	.	.			trans	-64.3	128.5	-177.7	-15.9	30	0	0	0	110	A838 R840 L842	P836-A838 PolarHBondContact O-N 2.85Å; P836-R840 HydrophobicContact CB-CB 4.33Å; P836-R840 WeakPolarHBondContact CB-O 3.31Å; P836-R840 WeakPolarHBondContact CG-O 3.5Å; P836-L842 HydrophobicContact CG-CB 4.4Å; P836-L842 HydrophobicContact CG-CD1 4.46Å
837	L	44.8	Very low	67.7	Low	143 Å²	143	67 Å²	67	75%	0.749	34%	0.34	S	S	*	.	S	Bend	trans	-68.4	-22.6	177.5	-78.1	162.8	0	0	0	112.5	L835	L835-L837 PolarHBondContact O-N 2.8Å
838	A	40	Very low	67.6	Low	59 Å²	59	67.7 Å²	67.7	49%	0.488	34%	0.344	S	S	.	.	S	Bend	trans	-172.2	125.5	167.4	0	0	0	0	0	107.6	P836 R840	P836-A838 PolarHBondContact O-N 2.85Å; A838-R840 VanDerWaalsContact C-N 3.32Å; A838-R840 PolarHBondContact O-N 2.84Å
839	N	39.1	Very low	67.4	Low	145 Å²	145	70.2 Å²	70.2	78%	0.775	36%	0.362	S	S	*	.	S	Bend	trans	50.5	21.2	163.4	-72.4	-6.4	0	0	0	120.7
840	R	41.2	Very low	67.5	Low	209 Å²	209	69.8 Å²	69.8	79%	0.789	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-96.8	135.1	164	-68.8	-168.2	179.7	-165.4	-0.3	109.5	P836 A838 L842	P836-R840 HydrophobicContact CB-CB 4.33Å; P836-R840 WeakPolarHBondContact CB-O 3.31Å; P836-R840 WeakPolarHBondContact CG-O 3.5Å; A838-R840 VanDerWaalsContact C-N 3.32Å; A838-R840 PolarHBondContact O-N 2.84Å; R840-L842 PolarHBondContact O-N 2.71Å
841	D	52.3	Low	67.7	Low	115 Å²	115	66.8 Å²	66.8	62%	0.615	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-59.5	127	176.3	-58.9	-46.4	0	0	0	109.4	D843	D841-D843 PolarHBondContact O-N 3.38Å; D841-D843 VanDerWaalsContact O-N 3.12Å
842	L	59.7	Low	68	Low	17 Å²	17	66.8 Å²	66.8	9%	0.089	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-55.2	118.9	174.2	-169.3	95.6	0	0	0	107.3	F831 I834 P836 R840 F844 F847 L1162	F831-L842 HydrophobicContact CE2-CD1 3.93Å; F831-L842 HydrophobicContact CE2-CD2 4.12Å; F831-L842 HydrophobicContact CZ-CD1 4.37Å; I834-L842 HydrophobicContact CD1-CD1 4.44Å; I834-L842 HydrophobicContact CG1-CD1 4.29Å; I834-L842 WeakPolarHBondContact O-CD1 3.28Å; P836-L842 HydrophobicContact CG-CB 4.4Å; P836-L842 HydrophobicContact CG-CD1 4.46Å; R840-L842 PolarHBondContact O-N 2.71Å; L842-F844 PolarHBondContact O-N 3.41Å; L842-F847 HydrophobicContact CD2-CB 3.61Å; L842-F847 HydrophobicContact CD2-CD1 4.1Å; L842-F847 HydrophobicContact CD2-CD2 3.68Å; L842-F847 HydrophobicContact CD2-CE2 4.34Å; L842-F847 HydrophobicContact CD2-CG 3.52Å; L842-F847 HydrophobicContact CG-CB 4.3Å; L842-L1162 HydrophobicContact CB-CD1 3.97Å; L842-L1162 HydrophobicContact CB-CD2 3.48Å; L842-L1162 VanDerWaalsContact CB-CD2 3.48Å; L842-L1162 HydrophobicContact CB-CG 4.33Å; L842-L1162 HydrophobicContact CD2-CD1 3.73Å; L842-L1162 HydrophobicContact CG-CD1 4.36Å; L842-L1162 WeakPolarHBondContact O-CB 3.32Å; L842-L1162 WeakPolarHBondContact O-CD1 3.29Å; L842-L1162 WeakPolarHBondContact O-CD2 3.46Å
843	D	68.7	Low	68.4	Low	86 Å²	86	71 Å²	71	46%	0.46	36%	0.364	S	S	.	.			trans	-62.3	111.6	179.7	169.7	32.4	0	0	0	109.5	D841 K845 T846 F847	D841-D843 PolarHBondContact O-N 3.38Å; D841-D843 VanDerWaalsContact O-N 3.12Å; D843-K845 PolarHBondContact O-N 2.99Å; D843-K845 VanDerWaalsContact O-N 3.16Å; D843-K845 PolarHBondContact OD1-N 2.86Å; D843-K845 VanDerWaalsContact OD1-N 3.09Å; D843-T846 PolarHBondContact O-N 3.42Å; D843-T846 VanDerWaalsContact O-N 3.14Å; D843-T846 VanDerWaalsContact OD2-CB 3.31Å; D843-T846 WeakPolarHBondContact OD2-CB 3.31Å; D843-T846 PolarHBondContact OD2-N 3.11Å; D843-T846 PolarHBondContact OD2-OG1 3.01Å; D843-F847 PolarHBondContact O-N 3.01Å
844	F	75	Confident	68.8	Low	30 Å²	30	65.3 Å²	65.3	13%	0.132	34%	0.336	C	S	.	.	H	α-helix	trans	-53.6	-37.1	-179.1	177	-100.3	0	0	0	112	L842 S848 I866 A1155 E1159 L1162	L842-F844 PolarHBondContact O-N 3.41Å; F844-S848 WeakPolarHBondContact CE1-OG 3.42Å; F844-S848 VanDerWaalsContact CZ-OG 3.27Å; F844-S848 WeakPolarHBondContact CZ-OG 3.27Å; F844-S848 VanDerWaalsContact O-CB 3.23Å; F844-S848 WeakPolarHBondContact O-CB 3.39Å; F844-S848 PolarHBondContact O-N 2.9Å; F844-S848 PolarHBondContact O-OG 3.42Å; F844-I866 HydrophobicContact CZ-CG2 4.11Å; F844-A1155 VanDerWaalsContact CE2-O 3.31Å; F844-A1155 WeakPolarHBondContact CE2-O 3.43Å; F844-E1159 HydrophobicContact CD1-CG 4.42Å; F844-E1159 HydrophobicContact CD2-CB 3.79Å; F844-E1159 HydrophobicContact CD2-CG 4.01Å; F844-E1159 HydrophobicContact CE1-CG 4.4Å; F844-E1159 HydrophobicContact CE2-CB 3.49Å; F844-E1159 VanDerWaalsContact CE2-CB 3.49Å; F844-E1159 HydrophobicContact CE2-CG 3.99Å; F844-E1159 HydrophobicContact CG-CG 4.23Å; F844-E1159 HydrophobicContact CZ-CB 3.96Å; F844-E1159 HydrophobicContact CZ-CG 4.18Å; F844-L1162 HydrophobicContact CB-CB 4.07Å; F844-L1162 HydrophobicContact CB-CD1 4.34Å; F844-L1162 HydrophobicContact CD2-CD1 4.31Å
845	K	76.5	Confident	69.3	Low	153 Å²	153	64 Å²	64	67%	0.665	33%	0.33	S	S	*	.	H	α-helix	trans	-67.4	-50.5	180	-174.5	178.7	177.1	-176.6	0	110.5	D843 F847 S848 S849	D843-K845 PolarHBondContact O-N 2.99Å; D843-K845 VanDerWaalsContact O-N 3.16Å; D843-K845 PolarHBondContact OD1-N 2.86Å; D843-K845 VanDerWaalsContact OD1-N 3.09Å; K845-F847 VanDerWaalsContact C-N 3.33Å; K845-F847 PolarHBondContact O-N 3.39Å; K845-S848 PolarHBondContact O-N 2.95Å; K845-S849 WeakPolarHBondContact O-CB 3.26Å; K845-S849 PolarHBondContact O-N 2.94Å; K845-S849 PolarHBondContact O-OG 3.23Å
846	T	79.6	Confident	69.9	Low	62 Å²	62	67.7 Å²	67.7	38%	0.38	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-42.9	176.2	-60.3	0	0	0	0	111.8	I834 D843 S849 L850	I834-T846 HydrophobicContact CB-CG2 4.3Å; I834-T846 HydrophobicContact CD1-CG2 4.46Å; I834-T846 HydrophobicContact CG2-CG2 3.58Å; D843-T846 PolarHBondContact O-N 3.42Å; D843-T846 VanDerWaalsContact O-N 3.14Å; D843-T846 VanDerWaalsContact OD2-CB 3.31Å; D843-T846 WeakPolarHBondContact OD2-CB 3.31Å; D843-T846 PolarHBondContact OD2-N 3.11Å; D843-T846 PolarHBondContact OD2-OG1 3.01Å; T846-S849 PolarHBondContact O-N 3.25Å; T846-L850 WeakPolarHBondContact O-CB 3.39Å; T846-L850 PolarHBondContact O-N 2.91Å
847	F	83.3	Confident	71.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-62.8	-46.2	176.7	-179.7	-118.3	0	0	0	112.5	F831 I834 L842 D843 K845 S849 L850 L851 Y905 V909 I1154 A1158	F831-F847 AromaticContact CD2-CD2 3.91Å; F831-F847 HydrophobicContact CD2-CD2 3.91Å; F831-F847 AromaticContact CD2-CE2 3.75Å; F831-F847 HydrophobicContact CD2-CE2 3.75Å; F831-F847 AromaticContact CE2-CD2 3.8Å; F831-F847 HydrophobicContact CE2-CD2 3.8Å; F831-F847 AromaticContact CE2-CE2 3.58Å; F831-F847 HydrophobicContact CE2-CE2 3.58Å; I834-F847 HydrophobicContact CD1-CB 4.26Å; I834-F847 HydrophobicContact CD1-CD2 4.05Å; L842-F847 HydrophobicContact CD2-CB 3.61Å; L842-F847 HydrophobicContact CD2-CD1 4.1Å; L842-F847 HydrophobicContact CD2-CD2 3.68Å; L842-F847 HydrophobicContact CD2-CE2 4.34Å; L842-F847 HydrophobicContact CD2-CG 3.52Å; L842-F847 HydrophobicContact CG-CB 4.3Å; D843-F847 PolarHBondContact O-N 3.01Å; K845-F847 VanDerWaalsContact C-N 3.33Å; K845-F847 PolarHBondContact O-N 3.39Å; F847-S849 VanDerWaalsContact C-N 3.35Å; F847-S849 PolarHBondContact O-N 2.9Å; F847-L850 WeakPolarHBondContact O-CB 3.24Å; F847-L850 PolarHBondContact O-N 3.36Å; F847-L851 HydrophobicContact CD1-CD1 4.26Å; F847-L851 HydrophobicContact CE1-CD1 3.63Å; F847-L851 HydrophobicContact CE1-CG 4.45Å; F847-L851 HydrophobicContact CE2-CD1 4.08Å; F847-L851 HydrophobicContact CE2-CD2 4.33Å; F847-L851 HydrophobicContact CE2-CG 4.16Å; F847-L851 HydrophobicContact CZ-CD1 3.54Å; F847-L851 HydrophobicContact CZ-CD2 4.46Å; F847-L851 HydrophobicContact CZ-CG 4.14Å; F847-L851 WeakPolarHBondContact O-CG 3.4Å; F847-L851 PolarHBondContact O-N 3.21Å; F847-Y905 HydrophobicContact CE2-CD2 4.29Å; F847-Y905 HydrophobicContact CE2-CG 4.38Å; F847-Y905 HydrophobicContact CZ-CD2 4.11Å; F847-V909 HydrophobicContact CE1-CG2 4.23Å; F847-V909 HydrophobicContact CZ-CG2 4.11Å; F847-I1154 HydrophobicContact CE1-CG2 4.45Å; F847-I1154 HydrophobicContact CZ-CG2 4.16Å; F847-A1158 HydrophobicContact CD1-CB 4Å; F847-A1158 HydrophobicContact CE1-CB 3.69Å
848	S	83.3	Confident	73.3	Confident	14 Å²	14	63.4 Å²	63.4	10%	0.098	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-40.9	178.3	-61.8	0	0	0	0	111.6	F844 K845 L851 A852 F862	F844-S848 WeakPolarHBondContact CE1-OG 3.42Å; F844-S848 VanDerWaalsContact CZ-OG 3.27Å; F844-S848 WeakPolarHBondContact CZ-OG 3.27Å; F844-S848 VanDerWaalsContact O-CB 3.23Å; F844-S848 WeakPolarHBondContact O-CB 3.39Å; F844-S848 PolarHBondContact O-N 2.9Å; F844-S848 PolarHBondContact O-OG 3.42Å; K845-S848 PolarHBondContact O-N 2.95Å; S848-L851 PolarHBondContact O-N 3.42Å; S848-A852 WeakPolarHBondContact O-CB 3.47Å; S848-A852 PolarHBondContact O-N 3.47Å; S848-F862 WeakPolarHBondContact O-CE1 3.37Å
849	S	84.6	Confident	75.3	Confident	53 Å²	53	65 Å²	65	37%	0.371	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-44.5	174.6	-71.6	0	0	0	0	111.8	K845 T846 F847 L851 A852 E853	K845-S849 WeakPolarHBondContact O-CB 3.26Å; K845-S849 PolarHBondContact O-N 2.94Å; K845-S849 PolarHBondContact O-OG 3.23Å; T846-S849 PolarHBondContact O-N 3.25Å; F847-S849 VanDerWaalsContact C-N 3.35Å; F847-S849 PolarHBondContact O-N 2.9Å; S849-L851 VanDerWaalsContact C-N 3.32Å; S849-L851 PolarHBondContact O-N 3.2Å; S849-A852 PolarHBondContact O-N 3.2Å; S849-E853 PolarHBondContact O-N 3.35Å
850	L	85.3	Confident	77.5	Confident	13 Å²	13	63.4 Å²	63.4	7%	0.068	34%	0.342	C	S	.	.	H	α-helix	trans	-58.6	-43.5	175.6	173.6	63.6	0	0	0	111.9	K830 F831 I834 T846 F847 Y854	K830-L850 HydrophobicContact CB-CD1 3.46Å; K830-L850 VanDerWaalsContact CB-CD1 3.46Å; K830-L850 HydrophobicContact CB-CD2 4.25Å; K830-L850 HydrophobicContact CD-CD1 3.58Å; K830-L850 HydrophobicContact CG-CD1 4.2Å; F831-L850 HydrophobicContact CB-CD2 3.91Å; F831-L850 HydrophobicContact CD2-CD2 4.42Å; I834-L850 HydrophobicContact CD1-CB 4.46Å; I834-L850 HydrophobicContact CD1-CD2 3.67Å; I834-L850 HydrophobicContact CG1-CD2 4.34Å; T846-L850 WeakPolarHBondContact O-CB 3.39Å; T846-L850 PolarHBondContact O-N 2.91Å; F847-L850 WeakPolarHBondContact O-CB 3.24Å; F847-L850 PolarHBondContact O-N 3.36Å; L850-Y854 HydrophobicContact CD1-CE2 4.06Å; L850-Y854 VanDerWaalsContact O-CD2 3.27Å; L850-Y854 WeakPolarHBondContact O-CD2 3.45Å
851	L	87.7	Confident	79.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-69.3	-36.5	179.4	-67.8	-173.9	0	0	0	112.5	K827 F847 S848 S849 E853 Y854 F862 Y905 E1151 I1154 A1155	K827-L851 HydrophobicContact CD-CD2 3.88Å; F847-L851 HydrophobicContact CD1-CD1 4.26Å; F847-L851 HydrophobicContact CE1-CD1 3.63Å; F847-L851 HydrophobicContact CE1-CG 4.45Å; F847-L851 HydrophobicContact CE2-CD1 4.08Å; F847-L851 HydrophobicContact CE2-CD2 4.33Å; F847-L851 HydrophobicContact CE2-CG 4.16Å; F847-L851 HydrophobicContact CZ-CD1 3.54Å; F847-L851 HydrophobicContact CZ-CD2 4.46Å; F847-L851 HydrophobicContact CZ-CG 4.14Å; F847-L851 WeakPolarHBondContact O-CG 3.4Å; F847-L851 PolarHBondContact O-N 3.21Å; S848-L851 PolarHBondContact O-N 3.42Å; S849-L851 VanDerWaalsContact C-N 3.32Å; S849-L851 PolarHBondContact O-N 3.2Å; L851-E853 VanDerWaalsContact C-N 3.3Å; L851-E853 PolarHBondContact O-N 2.92Å; L851-Y854 PolarHBondContact O-N 2.91Å; L851-F862 HydrophobicContact CB-CE1 4.3Å; L851-F862 HydrophobicContact CB-CZ 3.75Å; L851-Y905 HydrophobicContact CD2-CD2 3.94Å; L851-Y905 HydrophobicContact CD2-CE2 3.64Å; L851-E1151 HydrophobicContact CB-CB 4.34Å; L851-E1151 HydrophobicContact CD2-CG 4.4Å; L851-I1154 HydrophobicContact CD1-CG2 4.37Å; L851-A1155 HydrophobicContact CD1-CB 4.01Å
852	A	87.1	Confident	81.4	Confident	5 Å²	5	52.1 Å²	52.1	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-36.5	179.3	0	0	0	0	0	112.6	S848 S849 Y854 T855 T859 F862	S848-A852 WeakPolarHBondContact O-CB 3.47Å; S848-A852 PolarHBondContact O-N 3.47Å; S849-A852 PolarHBondContact O-N 3.2Å; A852-Y854 PolarHBondContact O-N 2.97Å; A852-T855 PolarHBondContact O-N 2.76Å; A852-T855 VanDerWaalsContact O-N 3.09Å; A852-T855 PolarHBondContact O-OG1 3.15Å; A852-T859 HydrophobicContact CB-CG2 4.11Å; A852-F862 HydrophobicContact CB-CB 4.29Å; A852-F862 HydrophobicContact CB-CD1 3.59Å; A852-F862 HydrophobicContact CB-CD2 4.3Å; A852-F862 HydrophobicContact CB-CE1 3.9Å; A852-F862 HydrophobicContact CB-CG 3.82Å; A852-F862 HydrophobicContact CB-CZ 4.45Å
853	E	85.5	Confident	82.7	Confident	120 Å²	120	53.9 Å²	53.9	56%	0.561	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.6	179.3	-73.3	179.1	-167.8	0	0	114.1	K830 S849 L851	K830-E853 IonicContact NZ-OE2 3.01Å; K830-E853 PolarHBondContact NZ-OE2 3.25Å; S849-E853 PolarHBondContact O-N 3.35Å; L851-E853 VanDerWaalsContact C-N 3.3Å; L851-E853 PolarHBondContact O-N 2.92Å
854	Y	82.1	Confident	83.6	Confident	39 Å²	39	52.9 Å²	52.9	15%	0.153	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	18.9	-175.9	-60.3	-87.9	0	0	0	113.4	V823 H826 K827 K830 L850 L851 A852 R892	V823-Y854 HydrophobicContact CG1-CD1 3.7Å; V823-Y854 HydrophobicContact CG1-CE1 4.36Å; V823-Y854 HydrophobicContact CG1-CG 4.44Å; H826-Y854 PolarHBondContact CD2-OH 2.95Å; K827-Y854 HydrophobicContact CB-CD2 4.21Å; K827-Y854 HydrophobicContact CB-CE1 4.36Å; K827-Y854 HydrophobicContact CB-CE2 3.91Å; K827-Y854 HydrophobicContact CD-CD2 4.19Å; K827-Y854 VanDerWaalsContact CE-CB 3.47Å; K827-Y854 VanDerWaalsContact CE-CD2 3.46Å; K827-Y854 VanDerWaalsContact CE-CG 3.43Å; K827-Y854 HydrophobicContact CG-CD2 3.89Å; K827-Y854 HydrophobicContact CG-CE2 3.82Å; K830-Y854 WeakPolarHBondContact CD-OH 3.34Å; K830-Y854 WeakPolarHBondContact CE-OH 3.31Å; K830-Y854 PolarHBondContact NZ-OH 3.4Å; L850-Y854 HydrophobicContact CD1-CE2 4.06Å; L850-Y854 VanDerWaalsContact O-CD2 3.27Å; L850-Y854 WeakPolarHBondContact O-CD2 3.45Å; L851-Y854 PolarHBondContact O-N 2.91Å; A852-Y854 PolarHBondContact O-N 2.97Å; Y854-R892 PolarHBondContact O-NH2 3.23Å; Y854-R892 VanDerWaalsContact O-NH2 3.08Å
855	T	80.8	Confident	84.4	Confident	19 Å²	19	52.8 Å²	52.8	12%	0.117	31%	0.307	C	S	.	.	S	Bend	trans	-115.3	152	174.7	64.7	0	0	0	0	111	A852 I857 F862 F1149 E1151	A852-T855 PolarHBondContact O-N 2.76Å; A852-T855 VanDerWaalsContact O-N 3.09Å; A852-T855 PolarHBondContact O-OG1 3.15Å; T855-I857 PolarHBondContact O-N 3.06Å; T855-I857 WeakPolarHBondContact OG1-CG1 3.36Å; T855-F862 HydrophobicContact CG2-CD2 3.86Å; T855-F862 HydrophobicContact CG2-CE2 3.62Å; T855-F862 WeakPolarHBondContact OG1-CD2 3.26Å; T855-F1149 HydrophobicContact CG2-CB 4.18Å; T855-F1149 HydrophobicContact CG2-CD2 3.81Å; T855-F1149 HydrophobicContact CG2-CE2 4.44Å; T855-F1149 HydrophobicContact CG2-CG 4.01Å; T855-E1151 HydrophobicContact CG2-CB 4.2Å
856	A	79.6	Confident	84.9	Confident	98 Å²	98	45.7 Å²	45.7	81%	0.81	28%	0.276	S	S	*	.	S	Bend	trans	-80.8	-4.8	179.1	0	0	0	0	0	113.1	F1149	A856-F1149 HydrophobicContact CB-CZ 4.06Å
857	I	83.4	Confident	85.2	Confident	40 Å²	40	46 Å²	46	21%	0.205	27%	0.27	C	S	.	.	S	Bend	trans	-90.4	154.4	177.6	55.5	175.8	0	0	0	110.4	T855 D861 F862 F1149 V1152	T855-I857 PolarHBondContact O-N 3.06Å; T855-I857 WeakPolarHBondContact OG1-CG1 3.36Å; I857-D861 HydrophobicContact CB-CB 4.21Å; I857-F862 HydrophobicContact CD1-CB 3.89Å; I857-F862 HydrophobicContact CD1-CD2 3.91Å; I857-F862 HydrophobicContact CD1-CG 4.37Å; I857-F862 HydrophobicContact CG1-CB 4.08Å; I857-F862 HydrophobicContact CG1-CD2 4.18Å; I857-F1149 HydrophobicContact CB-CE2 4.36Å; I857-F1149 HydrophobicContact CD1-CD2 4.08Å; I857-F1149 HydrophobicContact CD1-CE2 4.18Å; I857-F1149 HydrophobicContact CG1-CD2 4.14Å; I857-F1149 HydrophobicContact CG1-CE2 3.88Å; I857-F1149 HydrophobicContact CG2-CE2 3.88Å; I857-V1152 HydrophobicContact CD1-CG2 4.29Å
858	S	84	Confident	85.5	Confident	54 Å²	54	50.6 Å²	50.6	38%	0.378	29%	0.29	S	S	.	.			trans	-62.8	153.1	176.9	77.8	0	0	0	0	110.7	V860 D861 F862	S858-V860 PolarHBondContact O-N 3.48Å; S858-V860 VanDerWaalsContact O-N 3.11Å; S858-D861 WeakPolarHBondContact CB-OD2 3.42Å; S858-D861 PolarHBondContact O-N 2.7Å; S858-D861 VanDerWaalsContact O-N 3.08Å; S858-D861 PolarHBondContact OG-N 3.26Å; S858-D861 PolarHBondContact OG-OD2 3.17Å; S858-F862 WeakPolarHBondContact O-CB 3.39Å; S858-F862 PolarHBondContact O-N 3.39Å
859	T	82.2	Confident	85.8	Confident	93 Å²	93	50 Å²	50	57%	0.571	29%	0.285	S	S	*	.	H	α-helix	trans	-56.7	-29.6	176	-42.5	0	0	0	0	112.2	A852 A863	A852-T859 HydrophobicContact CB-CG2 4.11Å; T859-A863 WeakPolarHBondContact O-CB 3.31Å; T859-A863 PolarHBondContact O-N 2.99Å
860	V	85.1	Confident	85.7	Confident	111 Å²	111	49.9 Å²	49.9	67%	0.673	28%	0.277	S	S	*	.	H	α-helix	trans	-70.3	-48.9	176.3	180	0	0	0	0	110.7	S858 F862 A863 E864	S858-V860 PolarHBondContact O-N 3.48Å; S858-V860 VanDerWaalsContact O-N 3.11Å; V860-F862 VanDerWaalsContact C-N 3.32Å; V860-F862 PolarHBondContact O-N 2.84Å; V860-A863 PolarHBondContact O-N 3.47Å; V860-E864 WeakPolarHBondContact O-CB 3.47Å; V860-E864 PolarHBondContact O-N 3.46Å
861	D	87.3	Confident	85.6	Confident	84 Å²	84	58.1 Å²	58.1	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-64.7	-39.2	177.5	-63.1	-45.4	0	0	0	111.3	I857 S858 A863 E864 E865	I857-D861 HydrophobicContact CB-CB 4.21Å; S858-D861 WeakPolarHBondContact CB-OD2 3.42Å; S858-D861 PolarHBondContact O-N 2.7Å; S858-D861 VanDerWaalsContact O-N 3.08Å; S858-D861 PolarHBondContact OG-N 3.26Å; S858-D861 PolarHBondContact OG-OD2 3.17Å; D861-A863 PolarHBondContact O-N 3.47Å; D861-E864 PolarHBondContact O-N 2.93Å; D861-E865 WeakPolarHBondContact O-CG 3.47Å; D861-E865 PolarHBondContact O-N 3.01Å
862	F	88.4	Confident	85.4	Confident	3 Å²	3	59.8 Å²	59.8	1%	0.013	32%	0.316	C	S	.	.	H	α-helix	trans	-57.6	-49.3	174.3	-172.3	-92.2	0	0	0	111	S848 L851 A852 T855 I857 S858 V860 E864 E865 I866 E1151 V1152 A1155	S848-F862 WeakPolarHBondContact O-CE1 3.37Å; L851-F862 HydrophobicContact CB-CE1 4.3Å; L851-F862 HydrophobicContact CB-CZ 3.75Å; A852-F862 HydrophobicContact CB-CB 4.29Å; A852-F862 HydrophobicContact CB-CD1 3.59Å; A852-F862 HydrophobicContact CB-CD2 4.3Å; A852-F862 HydrophobicContact CB-CE1 3.9Å; A852-F862 HydrophobicContact CB-CG 3.82Å; A852-F862 HydrophobicContact CB-CZ 4.45Å; T855-F862 HydrophobicContact CG2-CD2 3.86Å; T855-F862 HydrophobicContact CG2-CE2 3.62Å; T855-F862 WeakPolarHBondContact OG1-CD2 3.26Å; I857-F862 HydrophobicContact CD1-CB 3.89Å; I857-F862 HydrophobicContact CD1-CD2 3.91Å; I857-F862 HydrophobicContact CD1-CG 4.37Å; I857-F862 HydrophobicContact CG1-CB 4.08Å; I857-F862 HydrophobicContact CG1-CD2 4.18Å; S858-F862 WeakPolarHBondContact O-CB 3.39Å; S858-F862 PolarHBondContact O-N 3.39Å; V860-F862 VanDerWaalsContact C-N 3.32Å; V860-F862 PolarHBondContact O-N 2.84Å; F862-E864 VanDerWaalsContact C-N 3.32Å; F862-E864 PolarHBondContact O-N 2.83Å; F862-E865 PolarHBondContact O-N 3.42Å; F862-I866 HydrophobicContact CD1-CD1 3.48Å; F862-I866 VanDerWaalsContact CD1-CD1 3.48Å; F862-I866 HydrophobicContact CD1-CG1 4.34Å; F862-I866 HydrophobicContact CE1-CD1 3.25Å; F862-I866 HydrophobicContact CE1-CG1 4.21Å; F862-I866 HydrophobicContact CG-CD1 4.49Å; F862-I866 HydrophobicContact CZ-CD1 4.07Å; F862-I866 VanDerWaalsContact O-CG1 3.29Å; F862-I866 WeakPolarHBondContact O-CG1 3.43Å; F862-I866 PolarHBondContact O-N 3.29Å; F862-E1151 HydrophobicContact CE2-CB 4.21Å; F862-E1151 HydrophobicContact CZ-CB 4.4Å; F862-V1152 HydrophobicContact CD2-CG2 3.61Å; F862-V1152 HydrophobicContact CE2-CB 4.37Å; F862-V1152 HydrophobicContact CE2-CG2 3.44Å; F862-V1152 VanDerWaalsContact CE2-CG2 3.44Å; F862-V1152 HydrophobicContact CG-CG2 4.47Å; F862-V1152 HydrophobicContact CZ-CG2 4.23Å; F862-A1155 HydrophobicContact CZ-CB 4.46Å
863	A	86.7	Confident	85.3	Confident	54 Å²	54	59.7 Å²	59.7	45%	0.446	32%	0.315	S	S	.	.	H	α-helix	trans	-63.3	-37	176.3	0	0	0	0	0	112.5	T859 V860 D861 I866 R867	T859-A863 WeakPolarHBondContact O-CB 3.31Å; T859-A863 PolarHBondContact O-N 2.99Å; V860-A863 PolarHBondContact O-N 3.47Å; D861-A863 PolarHBondContact O-N 3.47Å; A863-I866 PolarHBondContact O-N 2.77Å; A863-R867 WeakPolarHBondContact O-CB 3.29Å; A863-R867 PolarHBondContact O-N 3.01Å
864	E	88.9	Confident	84.3	Confident	65 Å²	65	55.4 Å²	55.4	30%	0.304	30%	0.302	S	S	.	.	H	α-helix	trans	-69.8	-40.1	178.4	178.2	57.2	-160.3	0	0	112.4	V860 D861 F862 R867 K868	V860-E864 WeakPolarHBondContact O-CB 3.47Å; V860-E864 PolarHBondContact O-N 3.46Å; D861-E864 PolarHBondContact O-N 2.93Å; F862-E864 VanDerWaalsContact C-N 3.32Å; F862-E864 PolarHBondContact O-N 2.83Å; E864-R867 WeakPolarHBondContact O-CB 3.26Å; E864-R867 PolarHBondContact O-N 2.85Å; E864-R867 IonicContact OE1-CZ 3.39Å; E864-R867 IonicContact OE1-NE 2.83Å; E864-R867 PolarHBondContact OE1-NE 2.99Å; E864-R867 IonicContact OE1-NH2 2.65Å; E864-R867 PolarHBondContact OE1-NH2 2.83Å; E864-R867 IonicContact OE2-CZ 3.02Å; E864-R867 IonicContact OE2-NE 3.68Å; E864-R867 PolarHBondContact OE2-NE 3.28Å; E864-R867 IonicContact OE2-NH2 3.32Å; E864-R867 PolarHBondContact OE2-NH2 3.41Å; E864-K868 WeakPolarHBondContact O-CG 3.4Å; E864-K868 PolarHBondContact O-N 3.34Å; E864-K868 VanDerWaalsContact OE1-CE 3.31Å; E864-K868 WeakPolarHBondContact OE1-CE 3.27Å
865	E	90.5	Very high	83.1	Confident	29 Å²	29	60.3 Å²	60.3	14%	0.136	32%	0.321	C	S	.	.	H	α-helix	trans	-66.1	-42.1	172.7	-70	-165.4	167.7	0	0	111.6	D861 F862 R867 K868 A869 V1147 A1148 V1152	D861-E865 WeakPolarHBondContact O-CG 3.47Å; D861-E865 PolarHBondContact O-N 3.01Å; F862-E865 PolarHBondContact O-N 3.42Å; E865-R867 VanDerWaalsContact C-N 3.27Å; E865-R867 PolarHBondContact O-N 2.92Å; E865-K868 PolarHBondContact O-N 3.23Å; E865-K868 VanDerWaalsContact O-N 3.13Å; E865-A869 PolarHBondContact O-N 2.85Å; E865-V1147 HydrophobicContact CB-CG1 4.45Å; E865-V1147 WeakPolarHBondContact OE2-CA 3.29Å; E865-A1148 WeakPolarHBondContact OE2-CB 3.41Å; E865-A1148 PolarHBondContact OE2-N 3.38Å; E865-V1152 HydrophobicContact CB-CG1 3.64Å
866	I	87.7	Confident	81.7	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-55.1	-48.2	170.3	-70.2	167.4	0	0	0	109.4	F844 F862 A863 K868 A869 R870 V1152 A1155 A1156	F844-I866 HydrophobicContact CZ-CG2 4.11Å; F862-I866 HydrophobicContact CD1-CD1 3.48Å; F862-I866 VanDerWaalsContact CD1-CD1 3.48Å; F862-I866 HydrophobicContact CD1-CG1 4.34Å; F862-I866 HydrophobicContact CE1-CD1 3.25Å; F862-I866 HydrophobicContact CE1-CG1 4.21Å; F862-I866 HydrophobicContact CG-CD1 4.49Å; F862-I866 HydrophobicContact CZ-CD1 4.07Å; F862-I866 VanDerWaalsContact O-CG1 3.29Å; F862-I866 WeakPolarHBondContact O-CG1 3.43Å; F862-I866 PolarHBondContact O-N 3.29Å; A863-I866 PolarHBondContact O-N 2.77Å; I866-K868 VanDerWaalsContact C-N 3.27Å; I866-K868 PolarHBondContact O-N 2.78Å; I866-A869 PolarHBondContact O-N 3.4Å; I866-R870 HydrophobicContact CG2-CG 3.93Å; I866-R870 VanDerWaalsContact O-CB 3.28Å; I866-R870 WeakPolarHBondContact O-CB 3.25Å; I866-R870 VanDerWaalsContact O-CD 3.3Å; I866-R870 WeakPolarHBondContact O-CD 3.44Å; I866-R870 WeakPolarHBondContact O-CG 3.39Å; I866-R870 PolarHBondContact O-N 3.49Å; I866-V1152 HydrophobicContact CG1-CG1 3.86Å; I866-A1155 HydrophobicContact CD1-CB 3.59Å; I866-A1155 HydrophobicContact CG1-CB 3.92Å; I866-A1156 HydrophobicContact CG2-CB 4.45Å
867	R	86.2	Confident	80.7	Confident	68 Å²	68	66.9 Å²	66.9	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-59.5	-35.4	179.4	-161	-160.5	56.8	56.8	-12.6	112.5	A863 E864 E865 R871	A863-R867 WeakPolarHBondContact O-CB 3.29Å; A863-R867 PolarHBondContact O-N 3.01Å; E864-R867 WeakPolarHBondContact O-CB 3.26Å; E864-R867 PolarHBondContact O-N 2.85Å; E864-R867 IonicContact OE1-CZ 3.39Å; E864-R867 IonicContact OE1-NE 2.83Å; E864-R867 PolarHBondContact OE1-NE 2.99Å; E864-R867 IonicContact OE1-NH2 2.65Å; E864-R867 PolarHBondContact OE1-NH2 2.83Å; E864-R867 IonicContact OE2-CZ 3.02Å; E864-R867 IonicContact OE2-NE 3.68Å; E864-R867 PolarHBondContact OE2-NE 3.28Å; E864-R867 IonicContact OE2-NH2 3.32Å; E864-R867 PolarHBondContact OE2-NH2 3.41Å; E865-R867 VanDerWaalsContact C-N 3.27Å; E865-R867 PolarHBondContact O-N 2.92Å; R867-R871 VanDerWaalsContact NH1-NH2 3.13Å; R867-R871 PolarHBondContact O-N 3.47Å
868	K	88.1	Confident	80.3	Confident	97 Å²	97	70.5 Å²	70.5	42%	0.422	36%	0.355	S	S	.	.	H	α-helix	trans	-70.3	-49.4	175.5	-72	169.6	-174.5	167.3	0	111.6	E864 E865 I866 R870 R871	E864-K868 WeakPolarHBondContact O-CG 3.4Å; E864-K868 PolarHBondContact O-N 3.34Å; E864-K868 VanDerWaalsContact OE1-CE 3.31Å; E864-K868 WeakPolarHBondContact OE1-CE 3.27Å; E865-K868 PolarHBondContact O-N 3.23Å; E865-K868 VanDerWaalsContact O-N 3.13Å; I866-K868 VanDerWaalsContact C-N 3.27Å; I866-K868 PolarHBondContact O-N 2.78Å; K868-R870 VanDerWaalsContact C-N 3.28Å; K868-R870 PolarHBondContact O-N 3.07Å; K868-R871 PolarHBondContact O-N 2.74Å
869	A	89.5	Confident	80.5	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59	-41.4	176.5	0	0	0	0	0	111.7	E865 I866 R871 L872 I873 V1120 V1147 A1156	E865-A869 PolarHBondContact O-N 2.85Å; I866-A869 PolarHBondContact O-N 3.4Å; A869-R871 VanDerWaalsContact C-N 3.32Å; A869-R871 PolarHBondContact O-N 3.14Å; A869-L872 PolarHBondContact O-N 2.82Å; A869-L872 VanDerWaalsContact O-N 3.07Å; A869-I873 HydrophobicContact CB-CD1 4.46Å; A869-I873 WeakPolarHBondContact O-CG1 3.24Å; A869-I873 PolarHBondContact O-N 3.24Å; A869-V1120 HydrophobicContact CB-CG1 4.12Å; A869-V1120 HydrophobicContact CB-CG2 4.28Å; A869-V1147 HydrophobicContact CB-CG1 3.98Å; A869-A1156 HydrophobicContact CB-CB 3.75Å
870	R	83	Confident	80.8	Confident	52 Å²	52	66.9 Å²	66.9	20%	0.196	33%	0.327	C	S	.	.	H	α-helix	trans	-60.6	-34	176.9	-75.1	164.9	59.8	-175.6	12	114.4	I866 K868 L872 I873 G874 A1156 E1159	I866-R870 HydrophobicContact CG2-CG 3.93Å; I866-R870 VanDerWaalsContact O-CB 3.28Å; I866-R870 WeakPolarHBondContact O-CB 3.25Å; I866-R870 VanDerWaalsContact O-CD 3.3Å; I866-R870 WeakPolarHBondContact O-CD 3.44Å; I866-R870 WeakPolarHBondContact O-CG 3.39Å; I866-R870 PolarHBondContact O-N 3.49Å; K868-R870 VanDerWaalsContact C-N 3.28Å; K868-R870 PolarHBondContact O-N 3.07Å; R870-L872 PolarHBondContact O-N 3.08Å; R870-I873 PolarHBondContact O-N 3.34Å; R870-G874 PolarHBondContact O-N 3.27Å; R870-A1156 HydrophobicContact CG-CB 4.28Å; R870-E1159 IonicContact CZ-OE1 3.18Å; R870-E1159 IonicContact CZ-OE2 2.79Å; R870-E1159 IonicContact NE-OE1 3.43Å; R870-E1159 IonicContact NE-OE2 3.66Å; R870-E1159 PolarHBondContact NE-OE2 3.44Å; R870-E1159 IonicContact NH1-OE1 2.73Å; R870-E1159 IonicContact NH2-OE1 2.7Å; R870-E1159 PolarHBondContact NH2-OE1 3.46Å; R870-E1159 IonicContact NH2-OE2 2.61Å; R870-E1159 PolarHBondContact NH2-OE2 3.05Å
871	R	83.5	Confident	81.1	Confident	186 Å²	186	61.6 Å²	61.6	70%	0.702	30%	0.295	S	S	*	.	H	α-helix	trans	-61	-27.4	176.5	-79.2	-176	178.1	166.2	3.5	111.8	R867 K868 A869	R867-R871 VanDerWaalsContact NH1-NH2 3.13Å; R867-R871 PolarHBondContact O-N 3.47Å; K868-R871 PolarHBondContact O-N 2.74Å; A869-R871 VanDerWaalsContact C-N 3.32Å; A869-R871 PolarHBondContact O-N 3.14Å
872	L	84.7	Confident	81.3	Confident	34 Å²	34	57.6 Å²	57.6	18%	0.178	27%	0.274	C	S	.	.	H	α-helix	trans	-90.6	-43.1	177.4	-60.9	-178.5	0	0	0	112.8	A869 R870 G874 A1119 L1144 A1145	A869-L872 PolarHBondContact O-N 2.82Å; A869-L872 VanDerWaalsContact O-N 3.07Å; R870-L872 PolarHBondContact O-N 3.08Å; L872-G874 PolarHBondContact O-N 3.45Å; L872-A1119 VanDerWaalsContact CD1-O 3.26Å; L872-A1119 WeakPolarHBondContact CD1-O 3.38Å; L872-L1144 VanDerWaalsContact CD1-C 3.48Å; L872-A1145 HydrophobicContact CD1-CB 3.42Å; L872-A1145 VanDerWaalsContact CD1-CB 3.42Å; L872-A1145 HydrophobicContact CG-CB 4.27Å
873	I	83.2	Confident	81.6	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-27.5	-179.3	-63.7	165.7	0	0	0	110.8	A869 R870 F879 F913 L1094 V1120 A1156 L1157	A869-I873 HydrophobicContact CB-CD1 4.46Å; A869-I873 WeakPolarHBondContact O-CG1 3.24Å; A869-I873 PolarHBondContact O-N 3.24Å; R870-I873 PolarHBondContact O-N 3.34Å; I873-F879 HydrophobicContact CG2-CE2 4.27Å; I873-F879 WeakPolarHBondContact O-CE2 3.29Å; I873-F879 WeakPolarHBondContact O-CZ 3.49Å; I873-F913 HydrophobicContact CG2-CE2 3.8Å; I873-F913 HydrophobicContact CG2-CZ 4.07Å; I873-L1094 HydrophobicContact CG1-CD1 4.3Å; I873-L1094 HydrophobicContact CG1-CD2 4.14Å; I873-V1120 HydrophobicContact CD1-CG2 4.36Å; I873-V1120 HydrophobicContact CG1-CG2 4.35Å; I873-A1156 HydrophobicContact CD1-CB 3.73Å; I873-L1157 HydrophobicContact CD1-CD2 4.1Å
874	G	64.5	Low	82	Confident	29 Å²	29	54.9 Å²	54.9	30%	0.299	25%	0.252	S	S	.	.			trans	73	155.4	176.7	0	0	0	0	0	112.8	R870 L872	R870-G874 PolarHBondContact O-N 3.27Å; L872-G874 PolarHBondContact O-N 3.45Å
875	R	57.2	Low	82.2	Confident	143 Å²	143	52 Å²	52	54%	0.54	24%	0.239	S	C	.	.	S	Bend	trans	-94	-14	178.4	-76.5	-177.1	176.4	161	1	114.2
876	K	52.6	Low	82.1	Confident	210 Å²	210	50.6 Å²	50.6	91%	0.913	23%	0.233	S	C	*	.	S	Bend	trans	-142.9	-6.2	-168.2	-71.4	-168.2	173.7	-169.3	0	115.4
877	A	57.2	Low	81.9	Confident	44 Å²	44	51.6 Å²	51.6	36%	0.364	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-97	117.1	-177.1	0	0	0	0	0	109.4
878	M	75.3	Confident	81.7	Confident	116 Å²	116	49 Å²	49	57%	0.571	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-65.7	134.6	165.2	-64.7	-176.5	78.7	0	0	108.6	C917	M878-C917 WeakPolarHBondContact CA-O 3.43Å
879	F	88.1	Confident	81.8	Confident	10 Å²	10	44.4 Å²	44.4	4%	0.044	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.4	168.3	-69.9	-79.6	0	0	0	108.8	I873 F913 C917 T918 A919 K1092 L1094	I873-F879 HydrophobicContact CG2-CE2 4.27Å; I873-F879 WeakPolarHBondContact O-CE2 3.29Å; I873-F879 WeakPolarHBondContact O-CZ 3.49Å; F879-F913 HydrophobicContact CD2-CZ 4.04Å; F879-F913 HydrophobicContact CE2-CZ 4.25Å; F879-C917 PolarHBondContact N-O 3.47Å; F879-T918 CarbonylContact O-C 3.44Å; F879-T918 WeakPolarHBondContact O-CA 3.35Å; F879-A919 PolarHBondContact O-N 3.27Å; F879-K1092 HydrophobicContact CD1-CB 4.19Å; F879-L1094 HydrophobicContact CD1-CB 3.71Å; F879-L1094 HydrophobicContact CD2-CB 4.08Å; F879-L1094 HydrophobicContact CD2-CD2 4.3Å; F879-L1094 HydrophobicContact CE1-CB 3.77Å; F879-L1094 HydrophobicContact CE2-CB 4.12Å; F879-L1094 HydrophobicContact CE2-CD2 4.02Å; F879-L1094 HydrophobicContact CG-CB 3.88Å; F879-L1094 HydrophobicContact CZ-CB 3.98Å; F879-L1094 HydrophobicContact CZ-CD1 4.36Å; F879-L1094 HydrophobicContact CZ-CD2 4.38Å; F879-L1094 HydrophobicContact CZ-CG 4.48Å
880	D	89.5	Confident	81.8	Confident	61 Å²	61	44.6 Å²	44.6	33%	0.326	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-32.4	172.1	-57.3	-64.1	0	0	0	110	A919 R920 Q1091 K1092	D880-A919 WeakPolarHBondContact O-CB 3.36Å; D880-R920 PolarHBondContact O-N 3.34Å; D880-R920 VanDerWaalsContact O-N 3.14Å; D880-Q1091 HydrophobicContact CB-CB 3.83Å; D880-Q1091 HydrophobicContact CB-CG 3.92Å; D880-Q1091 WeakPolarHBondContact OD2-CA 3.42Å; D880-K1092 PolarHBondContact N-O 3.45Å; D880-K1092 PolarHBondContact OD2-N 3.4Å
881	F	90.1	Very high	81.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	123.2	-175.2	-162.9	-147.8	0	0	0	112.7	V883 R920 V922 L1077 Y1080 I1086 K1092 V1093 L1094	F881-V883 HydrophobicContact CD1-CG2 3.65Å; F881-V883 HydrophobicContact CD2-CG2 4.31Å; F881-V883 HydrophobicContact CE1-CG2 3.36Å; F881-V883 HydrophobicContact CE2-CG2 4.07Å; F881-V883 HydrophobicContact CG-CG2 4.11Å; F881-V883 HydrophobicContact CZ-CG2 3.59Å; F881-R920 WeakPolarHBondContact CA-O 3.48Å; F881-R920 HydrophobicContact CD2-CB 3.93Å; F881-R920 HydrophobicContact CE2-CB 4.37Å; F881-V922 HydrophobicContact CE2-CB 4.15Å; F881-V922 HydrophobicContact CE2-CG2 3.55Å; F881-V922 HydrophobicContact CZ-CB 4.38Å; F881-V922 HydrophobicContact CZ-CG2 3.91Å; F881-L1077 HydrophobicContact CE1-CD1 3.92Å; F881-L1077 HydrophobicContact CZ-CD1 3.82Å; F881-Y1080 HydrophobicContact CE2-CD1 4.2Å; F881-Y1080 AromaticContact CE2-CE1 3.59Å; F881-Y1080 HydrophobicContact CE2-CE1 3.59Å; F881-Y1080 AromaticContact CZ-CD1 3.78Å; F881-Y1080 HydrophobicContact CZ-CD1 3.78Å; F881-Y1080 AromaticContact CZ-CE1 3.66Å; F881-Y1080 HydrophobicContact CZ-CE1 3.66Å; F881-I1086 HydrophobicContact CE2-CD1 4.28Å; F881-I1086 HydrophobicContact CZ-CD1 4.4Å; F881-K1092 PolarHBondContact N-O 3.02Å; F881-V1093 HydrophobicContact CB-CG1 4.44Å; F881-V1093 HydrophobicContact CB-CG2 4.23Å; F881-V1093 HydrophobicContact CD1-CG1 4.27Å; F881-V1093 HydrophobicContact CD1-CG2 4.47Å; F881-V1093 CarbonylContact O-C 3.47Å; F881-V1093 VanDerWaalsContact O-CA 3.26Å; F881-V1093 WeakPolarHBondContact O-CA 3.29Å; F881-L1094 PolarHBondContact O-N 2.98Å
882	F	92.6	Very high	81.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.8	173.2	173.3	-136	0	0	0	110.1	F913 T918 R920 T921 V922 L1094 C1096 L1157	F882-F913 HydrophobicContact CD1-CD1 4.06Å; F882-F913 HydrophobicContact CD1-CE1 4.1Å; F882-F913 HydrophobicContact CD2-CE1 4.5Å; F882-F913 HydrophobicContact CE1-CD1 4.22Å; F882-F913 HydrophobicContact CE1-CE1 4.45Å; F882-F913 HydrophobicContact CG-CE1 4.16Å; F882-T918 HydrophobicContact CB-CG2 3.55Å; F882-T918 HydrophobicContact CD1-CG2 4.32Å; F882-T918 HydrophobicContact CG-CG2 4.23Å; F882-R920 PolarHBondContact N-O 3.36Å; F882-T921 HydrophobicContact CD1-CG2 3.46Å; F882-T921 VanDerWaalsContact CD1-CG2 3.46Å; F882-T921 HydrophobicContact CE1-CG2 4.05Å; F882-T921 HydrophobicContact CG-CG2 4.35Å; F882-T921 CarbonylContact O-C 3.53Å; F882-T921 WeakPolarHBondContact O-CA 3.34Å; F882-V922 PolarHBondContact O-N 2.98Å; F882-L1094 CarbonylContact C-O 3.57Å; F882-L1094 WeakPolarHBondContact CA-O 3.42Å; F882-L1094 HydrophobicContact CD2-CB 3.93Å; F882-L1094 HydrophobicContact CD2-CD2 3.77Å; F882-L1094 HydrophobicContact CD2-CG 3.8Å; F882-L1094 WeakPolarHBondContact CD2-O 3.38Å; F882-L1094 HydrophobicContact CE2-CD2 3.91Å; F882-L1094 HydrophobicContact CE2-CG 4.07Å; F882-C1096 HydrophobicContact CE2-CB 4.5Å; F882-L1157 HydrophobicContact CZ-CD1 4.45Å
883	V	94.4	Very high	81.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.3	-178.6	-176.9	0	0	0	0	109.3	F881 V922 I924 L1077 L1094 V1095 C1096 M1105	F881-V883 HydrophobicContact CD1-CG2 3.65Å; F881-V883 HydrophobicContact CD2-CG2 4.31Å; F881-V883 HydrophobicContact CE1-CG2 3.36Å; F881-V883 HydrophobicContact CE2-CG2 4.07Å; F881-V883 HydrophobicContact CG-CG2 4.11Å; F881-V883 HydrophobicContact CZ-CG2 3.59Å; V883-V922 CarbonylContact C-O 3.56Å; V883-V922 WeakPolarHBondContact CA-O 3.38Å; V883-V922 HydrophobicContact CG1-CG1 4.38Å; V883-V922 HydrophobicContact CG2-CB 4.48Å; V883-I924 HydrophobicContact CG1-CG2 4.43Å; V883-L1077 HydrophobicContact CG1-CD1 4.22Å; V883-L1077 HydrophobicContact CG1-CD2 4.21Å; V883-L1077 HydrophobicContact CG2-CD1 4.15Å; V883-L1077 HydrophobicContact CG2-CD2 4.47Å; V883-L1094 PolarHBondContact N-O 3.45Å; V883-V1095 HydrophobicContact CB-CG2 4.29Å; V883-V1095 HydrophobicContact CG1-CG2 4.45Å; V883-V1095 CarbonylContact O-C 3.5Å; V883-V1095 WeakPolarHBondContact O-CA 3.47Å; V883-C1096 PolarHBondContact O-N 2.85Å; V883-M1105 HydrophobicContact CG1-SD 4.06Å
884	S	94.8	Very high	80.8	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.9	178.8	-169.1	0	0	0	0	112.3	T889 V922 I923 I924	S884-T889 WeakPolarHBondContact OG-CG2 3.36Å; S884-V922 PolarHBondContact N-O 3.06Å; S884-I923 CarbonylContact O-C 3.43Å; S884-I923 WeakPolarHBondContact O-CA 3.39Å; S884-I924 PolarHBondContact O-N 2.84Å
885	S	92.7	Very high	80.9	Confident	5 Å²	5	40 Å²	40	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	160	154.9	-166.3	0	0	0	0	110	T889 I924 K1073 C1096 D1102	S885-T889 WeakPolarHBondContact O-CB 3.35Å; S885-I924 WeakPolarHBondContact CA-O 3.32Å; S885-K1073 PolarHBondContact OG-NZ 3.36Å; S885-C1096 PolarHBondContact N-O 3.24Å; S885-D1102 WeakPolarHBondContact CB-OD1 3.4Å; S885-D1102 PolarHBondContact OG-OD1 2.92Å
886	F	89.1	Confident	81.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-97.5	-75.8	-180	-175.2	-119.9	0	0	0	111.9	G888 T889 L890 T891 Q902 I923 L934 D937 F938	F886-G888 PolarHBondContact O-N 3.19Å; F886-T889 PolarHBondContact O-N 3.31Å; F886-T889 VanDerWaalsContact O-N 3.13Å; F886-L890 HydrophobicContact CD2-CB 4.21Å; F886-L890 HydrophobicContact CD2-CD1 4.31Å; F886-L890 PolarHBondContact O-N 3.28Å; F886-T891 HydrophobicContact CD1-CG2 4.26Å; F886-T891 HydrophobicContact CE1-CG2 3.83Å; F886-T891 HydrophobicContact CE2-CG2 4.06Å; F886-T891 HydrophobicContact CZ-CG2 3.73Å; F886-T891 PolarHBondContact O-N 2.89Å; F886-Q902 HydrophobicContact CE2-CB 4.05Å; F886-Q902 HydrophobicContact CE2-CG 4.5Å; F886-Q902 VanDerWaalsContact CE2-OE1 3.27Å; F886-Q902 HydrophobicContact CZ-CB 3.99Å; F886-I923 HydrophobicContact CB-CG2 3.82Å; F886-I923 HydrophobicContact CD2-CG2 4.24Å; F886-I923 HydrophobicContact CG-CG2 4.37Å; F886-L934 HydrophobicContact CB-CD1 3.6Å; F886-L934 HydrophobicContact CD1-CD1 3.22Å; F886-L934 HydrophobicContact CD2-CD1 3.85Å; F886-L934 HydrophobicContact CE1-CD1 3.77Å; F886-L934 HydrophobicContact CE2-CD1 4.36Å; F886-L934 HydrophobicContact CG-CD1 3.25Å; F886-L934 HydrophobicContact CZ-CD1 4.31Å; F886-D937 HydrophobicContact CE1-CB 3.79Å; F886-D937 HydrophobicContact CZ-CB 4.1Å; F886-F938 HydrophobicContact CD2-CD2 4.41Å; F886-F938 AromaticContact CE2-CD2 3.72Å; F886-F938 HydrophobicContact CE2-CD2 3.72Å; F886-F938 HydrophobicContact CE2-CE2 4.46Å; F886-F938 HydrophobicContact CZ-CD2 4.45Å
887	Y	83.6	Confident	82.3	Confident	25 Å²	25	24.2 Å²	24.2	10%	0.098	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-70.3	128.9	-177	-53.8	-79.8	0	0	0	112.3	T889 T891 S925 T927 D937 S1098	Y887-T889 VanDerWaalsContact C-N 3.27Å; Y887-T891 HydrophobicContact CD1-CG2 4.03Å; Y887-S925 WeakPolarHBondContact CE2-OG 3.44Å; Y887-T927 HydrophobicContact CD2-CG2 4.13Å; Y887-T927 HydrophobicContact CE2-CG2 3.53Å; Y887-T927 VanDerWaalsContact CE2-OG1 3.32Å; Y887-T927 WeakPolarHBondContact CE2-OG1 3.36Å; Y887-D937 PolarHBondContact OH-OD2 3.02Å; Y887-S1098 PolarHBondContact O-OG 2.65Å
888	G	82.6	Confident	82.8	Confident	14 Å²	14	23 Å²	23	14%	0.144	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-13.8	-173.5	0	0	0	0	0	113.5	F886 T891 S1098 V1122	F886-G888 PolarHBondContact O-N 3.19Å; G888-T891 CarbonylContact C-O 3.54Å; G888-T891 VanDerWaalsContact CA-O 3.32Å; G888-T891 WeakPolarHBondContact CA-O 3.37Å; G888-T891 PolarHBondContact N-O 3.24Å; G888-S1098 WeakPolarHBondContact O-CB 3.47Å; G888-V1122 WeakPolarHBondContact O-CB 3.08Å; G888-V1122 VanDerWaalsContact O-CG1 3.32Å; G888-V1122 WeakPolarHBondContact O-CG1 3.43Å
889	T	90	Very high	82.6	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-63.8	-177.2	-54.7	0	0	0	0	111.6	S884 S885 F886 Y887 C1096 S1098 V1122 P1150 L1153	S884-T889 WeakPolarHBondContact OG-CG2 3.36Å; S885-T889 WeakPolarHBondContact O-CB 3.35Å; F886-T889 PolarHBondContact O-N 3.31Å; F886-T889 VanDerWaalsContact O-N 3.13Å; Y887-T889 VanDerWaalsContact C-N 3.27Å; T889-C1096 HydrophobicContact CG2-CB 3.52Å; T889-S1098 PolarHBondContact OG1-OG 3.25Å; T889-V1122 HydrophobicContact CG2-CG2 4.1Å; T889-P1150 WeakPolarHBondContact O-CA 3.46Å; T889-P1150 VanDerWaalsContact O-CB 3.26Å; T889-P1150 WeakPolarHBondContact O-CB 3.49Å; T889-L1153 HydrophobicContact CG2-CD2 3.63Å
890	L	88.5	Confident	81.7	Confident	3 Å²	3	17.6 Å²	17.6	2%	0.016	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-28.8	179.3	-62	178.4	0	0	0	112.1	F886 Q902 V910 I923 L1153 I1154 L1157	F886-L890 HydrophobicContact CD2-CB 4.21Å; F886-L890 HydrophobicContact CD2-CD1 4.31Å; F886-L890 PolarHBondContact O-N 3.28Å; L890-Q902 VanDerWaalsContact C-OE1 3.23Å; L890-Q902 PolarHBondContact O-NE2 2.95Å; L890-Q902 PolarHBondContact O-OE1 3.46Å; L890-V910 HydrophobicContact CD1-CG1 4.3Å; L890-V910 HydrophobicContact CD1-CG2 4.26Å; L890-V910 HydrophobicContact CD2-CG2 3.77Å; L890-V910 HydrophobicContact CG-CG2 4.49Å; L890-I923 HydrophobicContact CD1-CD1 3.69Å; L890-I923 HydrophobicContact CD1-CG1 4.24Å; L890-L1153 HydrophobicContact CD2-CD2 4.18Å; L890-I1154 HydrophobicContact CD2-CD1 4.27Å; L890-L1157 HydrophobicContact CD2-CD1 4.46Å
891	T	85.1	Confident	81.1	Confident	6 Å²	6	15 Å²	15	4%	0.037	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-133.6	158.3	174.2	-170.1	0	0	0	0	111.1	F886 Y887 G888 Q901	F886-T891 HydrophobicContact CD1-CG2 4.26Å; F886-T891 HydrophobicContact CE1-CG2 3.83Å; F886-T891 HydrophobicContact CE2-CG2 4.06Å; F886-T891 HydrophobicContact CZ-CG2 3.73Å; F886-T891 PolarHBondContact O-N 2.89Å; Y887-T891 HydrophobicContact CD1-CG2 4.03Å; G888-T891 CarbonylContact C-O 3.54Å; G888-T891 VanDerWaalsContact CA-O 3.32Å; G888-T891 WeakPolarHBondContact CA-O 3.37Å; G888-T891 PolarHBondContact N-O 3.24Å; T891-Q901 PolarHBondContact OG1-O 3.33Å
892	R	80.7	Confident	80.7	Confident	58 Å²	58	15.1 Å²	15.1	22%	0.219	7%	0.071	C	C	.	.			trans	-74	151.3	173.1	-65.9	-173.7	-176.3	-171.9	1.7	110.2	Y854 P1150 E1151	Y854-R892 PolarHBondContact O-NH2 3.23Å; Y854-R892 VanDerWaalsContact O-NH2 3.08Å; R892-P1150 HydrophobicContact CG-CG 4.05Å; R892-E1151 IonicContact CZ-OE1 3.82Å; R892-E1151 IonicContact CZ-OE2 3.97Å; R892-E1151 IonicContact NE-OE1 2.94Å; R892-E1151 PolarHBondContact NE-OE1 3.33Å; R892-E1151 VanDerWaalsContact NE-OE1 3.1Å; R892-E1151 IonicContact NE-OE2 3.97Å; R892-E1151 PolarHBondContact NE-OE2 3.31Å; R892-E1151 VanDerWaalsContact NE-OE2 3.11Å; R892-E1151 VanDerWaalsContact NH2-CD 3.28Å; R892-E1151 IonicContact NH2-OE1 2.83Å; R892-E1151 PolarHBondContact NH2-OE1 3.39Å; R892-E1151 IonicContact NH2-OE2 3.82Å; R892-E1151 PolarHBondContact NH2-OE2 2.84Å
893	R	74.7	Confident	80.4	Confident	121 Å²	121	15.2 Å²	15.2	46%	0.457	7%	0.072	S	C	.	.			trans	-71.9	139.8	168.2	-65.5	-179.7	-175.3	-164.5	2.3	108.6	N820 C1019 Y1020	N820-R893 PolarHBondContact ND2-O 2.91Å; R893-C1019 HydrophobicContact CB-CB 3.99Å; R893-Y1020 PolarHBondContact O-OH 3.12Å
894	T	72.9	Confident	80	Confident	17 Å²	17	15.2 Å²	15.2	10%	0.104	7%	0.072	C	C	.	.			trans	-121.8	161.8	175.5	89.4	0	0	0	0	110.5	N820 T896 S900 C1019	N820-T894 HydrophobicContact CB-CG2 4.04Å; T894-T896 PolarHBondContact O-N 2.94Å; T894-T896 PolarHBondContact OG1-N 3.44Å; T894-T896 PolarHBondContact OG1-O 3.45Å; T894-S900 PolarHBondContact OG1-OG 3.33Å; T894-C1019 PolarHBondContact O-SG 3.08Å
895	S	67.8	Low	79.5	Confident	7 Å²	7	15.4 Å²	15.4	5%	0.049	7%	0.073	C	C	.	.	S	Bend	trans	-60.3	-27.1	178.4	51.8	0	0	0	0	112.7	D817 I1001 G1002 D1018	D817-S895 PolarHBondContact O-OG 3.14Å; S895-I1001 WeakPolarHBondContact O-CA 3.47Å; S895-G1002 PolarHBondContact O-N 3.48Å; S895-D1018 WeakPolarHBondContact CB-OD2 3.31Å
896	T	71.9	Confident	79.2	Confident	3 Å²	3	15.2 Å²	15.2	2%	0.018	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-136.6	126.1	-176.3	74.9	0	0	0	0	111.7	I816 T894 L898 M899 S900 I1000	I816-T896 HydrophobicContact CG2-CG2 4.01Å; T894-T896 PolarHBondContact O-N 2.94Å; T894-T896 PolarHBondContact OG1-N 3.44Å; T894-T896 PolarHBondContact OG1-O 3.45Å; T896-L898 PolarHBondContact O-N 2.79Å; T896-L898 VanDerWaalsContact O-N 3.13Å; T896-M899 PolarHBondContact O-N 3.07Å; T896-S900 PolarHBondContact O-N 3.19Å; T896-S900 PolarHBondContact O-OG 3.37Å; T896-I1000 HydrophobicContact CG2-CG2 3.79Å
897	T	66.7	Low	79.1	Confident	19 Å²	19	15.2 Å²	15.2	12%	0.117	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.6	178	40.2	0	0	0	0	113.9	R761 M899 S900 G1002 G1003	R761-T897 PolarHBondContact NH2-O 2.9Å; T897-M899 PolarHBondContact O-N 3.34Å; T897-M899 VanDerWaalsContact O-N 3.17Å; T897-S900 PolarHBondContact O-N 3.25Å; T897-S900 VanDerWaalsContact O-N 3.08Å; T897-G1002 VanDerWaalsContact CB-O 3.28Å; T897-G1002 WeakPolarHBondContact CB-O 3.33Å; T897-G1002 VanDerWaalsContact CG2-O 3.24Å; T897-G1002 WeakPolarHBondContact CG2-O 3.28Å; T897-G1002 PolarHBondContact N-O 2.91Å; T897-G1002 PolarHBondContact OG1-O 3.03Å; T897-G1003 WeakPolarHBondContact OG1-CA 3.29Å
898	L	67.2	Low	79	Confident	19 Å²	19	15.1 Å²	15.1	10%	0.099	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.9	175.1	-70.2	165.7	0	0	0	112.6	Y754 R761 T896 Q901	Y754-L898 HydrophobicContact CD1-CD1 3.5Å; Y754-L898 HydrophobicContact CE1-CD1 3.2Å; R761-L898 PolarHBondContact NH1-O 3.2Å; R761-L898 PolarHBondContact NH2-O 2.98Å; T896-L898 PolarHBondContact O-N 2.79Å; T896-L898 VanDerWaalsContact O-N 3.13Å; L898-Q901 PolarHBondContact O-NE2 3.27Å
899	M	72.4	Confident	79.1	Confident	7 Å²	7	15 Å²	15	3%	0.034	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-8.8	174.9	-60.8	-65.4	113.6	0	0	114	F753 A757 E821 T896 T897 Q901	F753-M899 HydrophobicContact CE1-CE 4.37Å; F753-M899 HydrophobicContact CE2-CE 4.33Å; F753-M899 HydrophobicContact CZ-CE 3.88Å; F753-M899 HydrophobicContact CZ-CG 4.09Å; F753-M899 HydrophobicContact CZ-SD 4.33Å; A757-M899 HydrophobicContact CB-CE 2.97Å; E821-M899 HydrophobicContact CB-CB 4.41Å; E821-M899 HydrophobicContact CB-CG 4.4Å; E821-M899 HydrophobicContact CB-SD 4.09Å; E821-M899 HydrophobicContact CG-SD 3.63Å; E821-M899 VanDerWaalsContact OE2-O 3.08Å; T896-M899 PolarHBondContact O-N 3.07Å; T897-M899 PolarHBondContact O-N 3.34Å; T897-M899 VanDerWaalsContact O-N 3.17Å; M899-Q901 PolarHBondContact O-N 2.85Å
900	S	67.8	Low	78.9	Confident	4 Å²	4	15 Å²	15	3%	0.028	7%	0.069	C	C	.	.			trans	-75	49.9	-176.7	-65.8	0	0	0	0	114.2	T894 T896 T897 D937	T894-S900 PolarHBondContact OG1-OG 3.33Å; T896-S900 PolarHBondContact O-N 3.19Å; T896-S900 PolarHBondContact O-OG 3.37Å; T897-S900 PolarHBondContact O-N 3.25Å; T897-S900 VanDerWaalsContact O-N 3.08Å; S900-D937 WeakPolarHBondContact O-CB 3.38Å
901	Q	77.2	Confident	78.6	Confident	8 Å²	8	15.2 Å²	15.2	4%	0.037	7%	0.07	C	C	.	.	P	Polyproline II helix	trans	-87.8	148.5	179.8	-63.9	163	26.1	0	0	110.9	R761 T891 L898 M899 P903	R761-Q901 VanDerWaalsContact CA-OE1 3.28Å; R761-Q901 VanDerWaalsContact CB-NE2 3.34Å; R761-Q901 HydrophobicContact CG-CG 4.44Å; R761-Q901 VanDerWaalsContact CZ-NE2 3.27Å; R761-Q901 VanDerWaalsContact NH1-NE2 3.18Å; T891-Q901 PolarHBondContact OG1-O 3.33Å; L898-Q901 PolarHBondContact O-NE2 3.27Å; M899-Q901 PolarHBondContact O-N 2.85Å; Q901-P903 WeakPolarHBondContact O-CD 3.44Å
902	Q	82.5	Confident	78.3	Confident	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-65	125.4	167.7	-177.1	68	38.5	0	0	108.7	F886 L890 A907 D937 F938	F886-Q902 HydrophobicContact CE2-CB 4.05Å; F886-Q902 HydrophobicContact CE2-CG 4.5Å; F886-Q902 VanDerWaalsContact CE2-OE1 3.27Å; F886-Q902 HydrophobicContact CZ-CB 3.99Å; L890-Q902 VanDerWaalsContact C-OE1 3.23Å; L890-Q902 PolarHBondContact O-NE2 2.95Å; L890-Q902 PolarHBondContact O-OE1 3.46Å; Q902-A907 HydrophobicContact CG-CB 3.93Å; Q902-D937 PolarHBondContact N-O 3.42Å; Q902-F938 HydrophobicContact CB-CD2 4.06Å; Q902-F938 HydrophobicContact CG-CD2 4.03Å; Q902-F938 HydrophobicContact CG-CE2 3.99Å
903	P	86.1	Confident	78.5	Confident	2 Å²	2	13.7 Å²	13.7	1%	0.013	7%	0.068	C	C	.	.	P	Polyproline II helix	trans	-60.3	146.8	173.5	-23.5	34.1	0	0	0	111.4	Q824 E828 Q901 Y905 G906 A907	Q824-P903 HydrophobicContact CB-CG 4.46Å; Q824-P903 VanDerWaalsContact CD-CG 3.45Å; Q824-P903 HydrophobicContact CG-CG 4.02Å; Q824-P903 VanDerWaalsContact OE1-CG 3.29Å; E828-P903 VanDerWaalsContact OE1-CA 3.29Å; E828-P903 WeakPolarHBondContact OE1-CA 3.39Å; Q901-P903 WeakPolarHBondContact O-CD 3.44Å; P903-Y905 VanDerWaalsContact C-N 3.31Å; P903-Y905 HydrophobicContact CB-CD1 3.73Å; P903-Y905 HydrophobicContact CB-CE1 3.17Å; P903-Y905 HydrophobicContact CB-CE2 4.33Å; P903-Y905 HydrophobicContact CB-CG 4.49Å; P903-Y905 HydrophobicContact CG-CE1 4.01Å; P903-Y905 PolarHBondContact O-N 2.87Å; P903-G906 PolarHBondContact O-N 2.99Å; P903-A907 PolarHBondContact O-N 3.42Å
904	M	84.7	Confident	79.1	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-55.4	-42.9	-173.5	-68	-173.3	-80.6	0	0	113	R764 I767 V768 W782 L785 E828 G906 A907 L908	R764-M904 HydrophobicContact CB-CG 3.87Å; R764-M904 HydrophobicContact CB-SD 4.28Å; R764-M904 HydrophobicContact CG-CE 4.42Å; R764-M904 HydrophobicContact CG-CG 3.73Å; R764-M904 HydrophobicContact CG-SD 4.13Å; I767-M904 HydrophobicContact CB-SD 3.66Å; I767-M904 HydrophobicContact CD1-CE 4.07Å; I767-M904 HydrophobicContact CD1-SD 3.63Å; I767-M904 HydrophobicContact CG1-SD 4.25Å; I767-M904 HydrophobicContact CG2-SD 3.64Å; V768-M904 HydrophobicContact CG2-CB 3.69Å; V768-M904 HydrophobicContact CG2-CG 3.62Å; V768-M904 HydrophobicContact CG2-SD 4.34Å; W782-M904 HydrophobicContact CE3-CE 4.11Å; W782-M904 HydrophobicContact CH2-CE 3.61Å; W782-M904 HydrophobicContact CH2-SD 4.15Å; W782-M904 HydrophobicContact CZ3-CE 3.24Å; W782-M904 HydrophobicContact CZ3-SD 4.31Å; L785-M904 HydrophobicContact CD2-CE 3.49Å; L785-M904 VanDerWaalsContact CD2-CE 3.49Å; E828-M904 HydrophobicContact CB-CE 3.86Å; E828-M904 HydrophobicContact CG-CE 3.97Å; E828-M904 WeakPolarHBondContact OE1-CG 3.5Å; E828-M904 PolarHBondContact OE1-N 3.38Å; M904-G906 VanDerWaalsContact C-N 3.32Å; M904-G906 PolarHBondContact O-N 3.13Å; M904-A907 PolarHBondContact O-N 3.25Å; M904-L908 WeakPolarHBondContact O-CB 3.12Å; M904-L908 VanDerWaalsContact O-CG 3.27Å; M904-L908 WeakPolarHBondContact O-CG 3.42Å; M904-L908 PolarHBondContact O-N 3.43Å
905	Y	84.4	Confident	79.4	Confident	5 Å²	5	15 Å²	15	2%	0.02	7%	0.072	C	C	.	.	H	α-helix	trans	-60.5	-42.3	178	61.4	-93.3	0	0	0	111.9	Q824 K827 E828 F847 L851 P903 L908 V909 I1154	Q824-Y905 PolarHBondContact OE1-OH 3.29Å; K827-Y905 HydrophobicContact CD-CD1 4.39Å; K827-Y905 HydrophobicContact CD-CE1 3.45Å; K827-Y905 VanDerWaalsContact CD-CE1 3.45Å; K827-Y905 HydrophobicContact CD-CE2 4.49Å; K827-Y905 WeakPolarHBondContact CD-OH 3.31Å; K827-Y905 HydrophobicContact CG-CE1 4.12Å; K827-Y905 PolarHBondContact NZ-OH 3.49Å; K827-Y905 VanDerWaalsContact NZ-OH 3.14Å; E828-Y905 HydrophobicContact CG-CD1 4.25Å; E828-Y905 HydrophobicContact CG-CE1 4.42Å; F847-Y905 HydrophobicContact CE2-CD2 4.29Å; F847-Y905 HydrophobicContact CE2-CG 4.38Å; F847-Y905 HydrophobicContact CZ-CD2 4.11Å; L851-Y905 HydrophobicContact CD2-CD2 3.94Å; L851-Y905 HydrophobicContact CD2-CE2 3.64Å; P903-Y905 VanDerWaalsContact C-N 3.31Å; P903-Y905 HydrophobicContact CB-CD1 3.73Å; P903-Y905 HydrophobicContact CB-CE1 3.17Å; P903-Y905 HydrophobicContact CB-CE2 4.33Å; P903-Y905 HydrophobicContact CB-CG 4.49Å; P903-Y905 HydrophobicContact CG-CE1 4.01Å; P903-Y905 PolarHBondContact O-N 2.87Å; Y905-L908 PolarHBondContact O-N 3.08Å; Y905-V909 WeakPolarHBondContact O-CB 3.4Å; Y905-V909 VanDerWaalsContact O-CG2 3.27Å; Y905-V909 WeakPolarHBondContact O-CG2 3.45Å; Y905-V909 PolarHBondContact O-N 2.61Å; Y905-I1154 HydrophobicContact CD2-CG2 3.97Å; Y905-I1154 HydrophobicContact CE2-CG2 4.24Å
906	G	87.6	Confident	79.8	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-71.1	-37.2	179.3	0	0	0	0	0	111.8	P903 M904 V909 V910	P903-G906 PolarHBondContact O-N 2.99Å; M904-G906 VanDerWaalsContact C-N 3.32Å; M904-G906 PolarHBondContact O-N 3.13Å; G906-V909 PolarHBondContact O-N 2.83Å; G906-V910 WeakPolarHBondContact O-CB 3.21Å; G906-V910 WeakPolarHBondContact O-CG2 3.47Å; G906-V910 PolarHBondContact O-N 3.19Å
907	A	86	Confident	80.4	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.1	-44.1	174.1	0	0	0	0	0	112.2	V768 Q902 P903 M904 N911 P939 V940	V768-A907 HydrophobicContact CG1-CB 4.27Å; V768-A907 HydrophobicContact CG2-CB 4.41Å; Q902-A907 HydrophobicContact CG-CB 3.93Å; P903-A907 PolarHBondContact O-N 3.42Å; M904-A907 PolarHBondContact O-N 3.25Å; A907-N911 WeakPolarHBondContact O-CB 3.41Å; A907-N911 PolarHBondContact O-N 3.09Å; A907-P939 HydrophobicContact CB-CG 3.58Å; A907-V940 HydrophobicContact CB-CG2 3.84Å
908	L	81.3	Confident	81.4	Confident	24 Å²	24	20.2 Å²	20.2	13%	0.126	10%	0.097	C	C	.	.	H	α-helix	trans	-63.4	-47.5	176.4	-71.7	169.8	0	0	0	111.8	V768 V771 F831 L835 M904 Y905 N911 S912	V768-L908 HydrophobicContact CG1-CD2 3.94Å; V768-L908 HydrophobicContact CG1-CG 4.3Å; V768-L908 HydrophobicContact CG2-CG 4.4Å; V771-L908 HydrophobicContact CB-CD2 3.96Å; V771-L908 HydrophobicContact CG1-CD1 4.08Å; V771-L908 HydrophobicContact CG1-CD2 3.62Å; F831-L908 HydrophobicContact CE1-CD1 3.9Å; F831-L908 HydrophobicContact CZ-CD1 4.17Å; L835-L908 HydrophobicContact CD1-CD1 4.27Å; M904-L908 WeakPolarHBondContact O-CB 3.12Å; M904-L908 VanDerWaalsContact O-CG 3.27Å; M904-L908 WeakPolarHBondContact O-CG 3.42Å; M904-L908 PolarHBondContact O-N 3.43Å; Y905-L908 PolarHBondContact O-N 3.08Å; L908-N911 PolarHBondContact O-N 2.95Å; L908-S912 VanDerWaalsContact O-CB 3.26Å; L908-S912 WeakPolarHBondContact O-CB 3.48Å; L908-S912 PolarHBondContact O-N 3.18Å
909	V	84.7	Confident	82.3	Confident	11 Å²	11	22.7 Å²	22.7	7%	0.067	12%	0.12	C	C	.	.	H	α-helix	trans	-62.9	-50.1	179.1	168.7	0	0	0	0	111.3	F847 Y905 G906 N911 S912 F913 I1154 L1157 A1158	F847-V909 HydrophobicContact CE1-CG2 4.23Å; F847-V909 HydrophobicContact CZ-CG2 4.11Å; Y905-V909 WeakPolarHBondContact O-CB 3.4Å; Y905-V909 VanDerWaalsContact O-CG2 3.27Å; Y905-V909 WeakPolarHBondContact O-CG2 3.45Å; Y905-V909 PolarHBondContact O-N 2.61Å; G906-V909 PolarHBondContact O-N 2.83Å; V909-N911 VanDerWaalsContact C-N 3.32Å; V909-N911 PolarHBondContact O-N 3.46Å; V909-S912 PolarHBondContact O-N 2.98Å; V909-F913 VanDerWaalsContact O-CB 3.31Å; V909-F913 WeakPolarHBondContact O-CB 3.35Å; V909-F913 PolarHBondContact O-N 3.4Å; V909-I1154 HydrophobicContact CB-CG2 4.17Å; V909-I1154 HydrophobicContact CG1-CG2 4.26Å; V909-I1154 WeakPolarHBondContact CG1-O 3.06Å; V909-I1154 HydrophobicContact CG2-CG2 4.23Å; V909-L1157 HydrophobicContact CG1-CB 3.7Å; V909-A1158 HydrophobicContact CG1-CB 3.9Å; V909-A1158 HydrophobicContact CG2-CB 3.78Å
910	V	87.5	Confident	83.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-42	-179.5	171.5	0	0	0	0	110.8	L890 G906 A914 I923 F938 I945 I1154 L1157	L890-V910 HydrophobicContact CD1-CG1 4.3Å; L890-V910 HydrophobicContact CD1-CG2 4.26Å; L890-V910 HydrophobicContact CD2-CG2 3.77Å; L890-V910 HydrophobicContact CG-CG2 4.49Å; G906-V910 WeakPolarHBondContact O-CB 3.21Å; G906-V910 WeakPolarHBondContact O-CG2 3.47Å; G906-V910 PolarHBondContact O-N 3.19Å; V910-A914 VanDerWaalsContact O-CB 3.23Å; V910-A914 WeakPolarHBondContact O-CB 3.28Å; V910-A914 PolarHBondContact O-N 3.15Å; V910-I923 HydrophobicContact CG1-CD1 4.23Å; V910-F938 HydrophobicContact CB-CE2 4.4Å; V910-F938 HydrophobicContact CB-CZ 4.02Å; V910-F938 HydrophobicContact CG1-CE2 4.18Å; V910-F938 HydrophobicContact CG1-CZ 3.78Å; V910-I945 HydrophobicContact CG1-CD1 4.08Å; V910-I1154 HydrophobicContact CG2-CD1 3.79Å; V910-L1157 HydrophobicContact CG2-CD1 4.33Å
911	N	82.3	Confident	84.2	Confident	7 Å²	7	26.6 Å²	26.6	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-41.9	177.1	179.9	51.4	0	0	0	112.6	C772 A907 L908 V909 A914 R915 V940 T942 S944	C772-N911 PolarHBondContact SG-ND2 3Å; A907-N911 WeakPolarHBondContact O-CB 3.41Å; A907-N911 PolarHBondContact O-N 3.09Å; L908-N911 PolarHBondContact O-N 2.95Å; V909-N911 VanDerWaalsContact C-N 3.32Å; V909-N911 PolarHBondContact O-N 3.46Å; N911-A914 PolarHBondContact O-N 2.81Å; N911-R915 WeakPolarHBondContact O-CG 3.44Å; N911-R915 PolarHBondContact O-N 3.11Å; N911-R915 VanDerWaalsContact O-N 3.08Å; N911-V940 HydrophobicContact CB-CG1 4.2Å; N911-V940 HydrophobicContact CB-CG2 4.43Å; N911-T942 WeakPolarHBondContact OD1-CB 3.39Å; N911-T942 WeakPolarHBondContact OD1-CG2 3.36Å; N911-T942 PolarHBondContact OD1-OG1 2.85Å; N911-S944 PolarHBondContact OD1-OG 3.32Å; N911-S944 VanDerWaalsContact OD1-OG 3.12Å
912	S	78.9	Confident	85	Confident	31 Å²	31	26.2 Å²	26.2	22%	0.217	13%	0.132	C	C	.	.	H	α-helix	trans	-68.3	-42.7	178.8	-168.8	0	0	0	0	111.4	L908 V909 R915 Q916 L1161	L908-S912 VanDerWaalsContact O-CB 3.26Å; L908-S912 WeakPolarHBondContact O-CB 3.48Å; L908-S912 PolarHBondContact O-N 3.18Å; V909-S912 PolarHBondContact O-N 2.98Å; S912-R915 PolarHBondContact O-N 3.41Å; S912-Q916 WeakPolarHBondContact O-CB 3.32Å; S912-Q916 WeakPolarHBondContact O-CG 3.24Å; S912-Q916 PolarHBondContact O-N 2.83Å; S912-Q916 PolarHBondContact OG-NE2 3Å; S912-L1161 VanDerWaalsContact CB-CD1 3.43Å; S912-L1161 WeakPolarHBondContact OG-CD1 3.46Å; S912-L1161 WeakPolarHBondContact OG-CD2 3.43Å
913	F	84.7	Confident	85.5	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.009	13%	0.132	C	C	.	.	H	α-helix	trans	-60.4	-46.1	173.2	-175	-93.4	0	0	0	111.6	I873 F879 F882 V909 R915 Q916 C917 T918 L1094 L1157 P1160	I873-F913 HydrophobicContact CG2-CE2 3.8Å; I873-F913 HydrophobicContact CG2-CZ 4.07Å; F879-F913 HydrophobicContact CD2-CZ 4.04Å; F879-F913 HydrophobicContact CE2-CZ 4.25Å; F882-F913 HydrophobicContact CD1-CD1 4.06Å; F882-F913 HydrophobicContact CD1-CE1 4.1Å; F882-F913 HydrophobicContact CD2-CE1 4.5Å; F882-F913 HydrophobicContact CE1-CD1 4.22Å; F882-F913 HydrophobicContact CE1-CE1 4.45Å; F882-F913 HydrophobicContact CG-CE1 4.16Å; V909-F913 VanDerWaalsContact O-CB 3.31Å; V909-F913 WeakPolarHBondContact O-CB 3.35Å; V909-F913 PolarHBondContact O-N 3.4Å; F913-R915 PolarHBondContact O-N 3.18Å; F913-Q916 PolarHBondContact O-N 3.31Å; F913-C917 HydrophobicContact CD1-CB 4.38Å; F913-C917 HydrophobicContact CD2-CB 3.61Å; F913-C917 HydrophobicContact CE1-CB 4.28Å; F913-C917 HydrophobicContact CE2-CB 3.48Å; F913-C917 VanDerWaalsContact CE2-CB 3.48Å; F913-C917 HydrophobicContact CG-CB 4.07Å; F913-C917 HydrophobicContact CZ-CB 3.84Å; F913-C917 WeakPolarHBondContact O-CA 3.46Å; F913-C917 WeakPolarHBondContact O-CB 3.4Å; F913-C917 PolarHBondContact O-N 3.31Å; F913-T918 HydrophobicContact CD1-CG2 3.75Å; F913-T918 HydrophobicContact CE1-CG2 3.46Å; F913-T918 VanDerWaalsContact CE1-CG2 3.46Å; F913-T918 HydrophobicContact CZ-CG2 4.3Å; F913-L1094 HydrophobicContact CE1-CD2 3.99Å; F913-L1094 HydrophobicContact CZ-CD2 3.86Å; F913-L1157 HydrophobicContact CD1-CD2 3.88Å; F913-L1157 HydrophobicContact CD2-CB 4.35Å; F913-L1157 HydrophobicContact CD2-CD2 3.88Å; F913-L1157 HydrophobicContact CE1-CD2 3.78Å; F913-L1157 HydrophobicContact CE2-CD2 3.79Å; F913-L1157 HydrophobicContact CG-CB 4.45Å; F913-L1157 HydrophobicContact CG-CD2 3.92Å; F913-L1157 HydrophobicContact CZ-CD2 3.75Å; F913-P1160 HydrophobicContact CE2-CG 4.44Å
914	A	85.8	Confident	85.8	Confident	4 Å²	4	26.1 Å²	26.1	3%	0.033	13%	0.131	C	C	.	.	H	α-helix	trans	-57.6	-37.5	176.5	0	0	0	0	0	112.3	V910 N911 T918 T921 I945	V910-A914 VanDerWaalsContact O-CB 3.23Å; V910-A914 WeakPolarHBondContact O-CB 3.28Å; V910-A914 PolarHBondContact O-N 3.15Å; N911-A914 PolarHBondContact O-N 2.81Å; A914-T918 WeakPolarHBondContact CA-OG1 3.4Å; A914-T918 VanDerWaalsContact O-O 3.13Å; A914-T918 PolarHBondContact O-OG1 3.4Å; A914-T921 WeakPolarHBondContact CA-OG1 3.34Å; A914-T921 HydrophobicContact CB-CG2 4.01Å; A914-T921 VanDerWaalsContact CB-OG1 3.26Å; A914-T921 WeakPolarHBondContact CB-OG1 3.38Å; A914-I945 HydrophobicContact CB-CD1 4.08Å; A914-I945 HydrophobicContact CB-CG1 3.75Å
915	R	79	Confident	85.9	Confident	161 Å²	161	26.3 Å²	26.3	61%	0.608	13%	0.133	S	C	*	.	H	α-helix	trans	-78.8	-37.6	179.9	-75.1	-179.7	62.9	146.3	1	114.2	N911 S912 F913	N911-R915 WeakPolarHBondContact O-CG 3.44Å; N911-R915 PolarHBondContact O-N 3.11Å; N911-R915 VanDerWaalsContact O-N 3.08Å; S912-R915 PolarHBondContact O-N 3.41Å; F913-R915 PolarHBondContact O-N 3.18Å
916	Q	77.9	Confident	85.6	Confident	112 Å²	112	27.7 Å²	27.7	52%	0.523	15%	0.145	S	C	.	.	H	α-helix	trans	-102.4	-28	-168.6	-63.2	-175.8	13	0	0	113.4	S912 F913 L1161	S912-Q916 WeakPolarHBondContact O-CB 3.32Å; S912-Q916 WeakPolarHBondContact O-CG 3.24Å; S912-Q916 PolarHBondContact O-N 2.83Å; S912-Q916 PolarHBondContact OG-NE2 3Å; F913-Q916 PolarHBondContact O-N 3.31Å; Q916-L1161 HydrophobicContact CB-CD2 3.99Å; Q916-L1161 HydrophobicContact CG-CD2 4.22Å
917	C	84.3	Confident	85.1	Confident	18 Å²	18	29.7 Å²	29.7	12%	0.122	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-3.8	-170.5	-61.7	0	0	0	0	113.3	M878 F879 F913	M878-C917 WeakPolarHBondContact CA-O 3.43Å; F879-C917 PolarHBondContact N-O 3.47Å; F913-C917 HydrophobicContact CD1-CB 4.38Å; F913-C917 HydrophobicContact CD2-CB 3.61Å; F913-C917 HydrophobicContact CE1-CB 4.28Å; F913-C917 HydrophobicContact CE2-CB 3.48Å; F913-C917 VanDerWaalsContact CE2-CB 3.48Å; F913-C917 HydrophobicContact CG-CB 4.07Å; F913-C917 HydrophobicContact CZ-CB 3.84Å; F913-C917 WeakPolarHBondContact O-CA 3.46Å; F913-C917 WeakPolarHBondContact O-CB 3.4Å; F913-C917 PolarHBondContact O-N 3.31Å
918	T	86.8	Confident	84.5	Confident	8 Å²	8	30 Å²	30	5%	0.049	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141	-176.3	82	0	0	0	0	112	F879 F882 F913 A914 T921	F879-T918 CarbonylContact O-C 3.44Å; F879-T918 WeakPolarHBondContact O-CA 3.35Å; F882-T918 HydrophobicContact CB-CG2 3.55Å; F882-T918 HydrophobicContact CD1-CG2 4.32Å; F882-T918 HydrophobicContact CG-CG2 4.23Å; F913-T918 HydrophobicContact CD1-CG2 3.75Å; F913-T918 HydrophobicContact CE1-CG2 3.46Å; F913-T918 VanDerWaalsContact CE1-CG2 3.46Å; F913-T918 HydrophobicContact CZ-CG2 4.3Å; A914-T918 WeakPolarHBondContact CA-OG1 3.4Å; A914-T918 VanDerWaalsContact O-O 3.13Å; A914-T918 PolarHBondContact O-OG1 3.4Å; T918-T921 PolarHBondContact OG1-OG1 2.88Å
919	A	87	Confident	84.3	Confident	72 Å²	72	28.8 Å²	28.8	60%	0.595	15%	0.154	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	-35.9	169.7	0	0	0	0	0	111.7	F879 D880	F879-A919 PolarHBondContact O-N 3.27Å; D880-A919 WeakPolarHBondContact O-CB 3.36Å
920	R	88.5	Confident	83.5	Confident	91 Å²	91	35.1 Å²	35.1	34%	0.343	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	136.6	174.2	-65.8	-174.1	-178.9	-176.4	0.1	111	D880 F881 F882 M1084 I1086	D880-R920 PolarHBondContact O-N 3.34Å; D880-R920 VanDerWaalsContact O-N 3.14Å; F881-R920 WeakPolarHBondContact CA-O 3.48Å; F881-R920 HydrophobicContact CD2-CB 3.93Å; F881-R920 HydrophobicContact CE2-CB 4.37Å; F882-R920 PolarHBondContact N-O 3.36Å; R920-M1084 PolarHBondContact NH1-O 3.5Å; R920-I1086 VanDerWaalsContact NH1-CD1 3.33Å
921	T	92.1	Very high	82.2	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133	175.2	-70.3	0	0	0	0	111.4	F882 A914 T918 I945 D946	F882-T921 HydrophobicContact CD1-CG2 3.46Å; F882-T921 VanDerWaalsContact CD1-CG2 3.46Å; F882-T921 HydrophobicContact CE1-CG2 4.05Å; F882-T921 HydrophobicContact CG-CG2 4.35Å; F882-T921 CarbonylContact O-C 3.53Å; F882-T921 WeakPolarHBondContact O-CA 3.34Å; A914-T921 WeakPolarHBondContact CA-OG1 3.34Å; A914-T921 HydrophobicContact CB-CG2 4.01Å; A914-T921 VanDerWaalsContact CB-OG1 3.26Å; A914-T921 WeakPolarHBondContact CB-OG1 3.38Å; T918-T921 PolarHBondContact OG1-OG1 2.88Å; T921-I945 HydrophobicContact CG2-CB 4.41Å; T921-I945 HydrophobicContact CG2-CG1 3.91Å; T921-I945 HydrophobicContact CG2-CG2 4.06Å; T921-D946 PolarHBondContact O-N 3.31Å
922	V	92.6	Very high	81.2	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128	179.3	164.4	0	0	0	0	110.2	F881 F882 V883 S884 I924 D946 W955 Y1080	F881-V922 HydrophobicContact CE2-CB 4.15Å; F881-V922 HydrophobicContact CE2-CG2 3.55Å; F881-V922 HydrophobicContact CZ-CB 4.38Å; F881-V922 HydrophobicContact CZ-CG2 3.91Å; F882-V922 PolarHBondContact O-N 2.98Å; V883-V922 CarbonylContact C-O 3.56Å; V883-V922 WeakPolarHBondContact CA-O 3.38Å; V883-V922 HydrophobicContact CG1-CG1 4.38Å; V883-V922 HydrophobicContact CG2-CB 4.48Å; S884-V922 PolarHBondContact N-O 3.06Å; V922-I924 HydrophobicContact CG1-CB 4.47Å; V922-D946 WeakPolarHBondContact CA-O 3.49Å; V922-D946 HydrophobicContact CG2-CB 4.39Å; V922-W955 HydrophobicContact CG1-CH2 3.5Å; V922-W955 VanDerWaalsContact CG1-CH2 3.5Å; V922-W955 HydrophobicContact CG1-CZ3 3.67Å; V922-W955 HydrophobicContact CG2-CZ3 4.41Å; V922-Y1080 HydrophobicContact CG2-CD1 3.89Å; V922-Y1080 HydrophobicContact CG2-CD2 4.02Å; V922-Y1080 HydrophobicContact CG2-CE1 3.37Å; V922-Y1080 HydrophobicContact CG2-CE2 3.56Å; V922-Y1080 HydrophobicContact CG2-CG 4.2Å
923	I	93.3	Very high	80.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.4	169.7	-59.5	-179.4	0	0	0	109	S884 F886 L890 V910 L934 F938 I945 D946 F947 G948	S884-I923 CarbonylContact O-C 3.43Å; S884-I923 WeakPolarHBondContact O-CA 3.39Å; F886-I923 HydrophobicContact CB-CG2 3.82Å; F886-I923 HydrophobicContact CD2-CG2 4.24Å; F886-I923 HydrophobicContact CG-CG2 4.37Å; L890-I923 HydrophobicContact CD1-CD1 3.69Å; L890-I923 HydrophobicContact CD1-CG1 4.24Å; V910-I923 HydrophobicContact CG1-CD1 4.23Å; I923-L934 HydrophobicContact CG2-CD1 4.25Å; I923-L934 HydrophobicContact CG2-CD2 4.16Å; I923-F938 HydrophobicContact CD1-CD2 4.4Å; I923-F938 HydrophobicContact CD1-CE2 4.05Å; I923-F938 HydrophobicContact CD1-CZ 4.31Å; I923-I945 HydrophobicContact CB-CG2 4.37Å; I923-I945 HydrophobicContact CD1-CD1 4.49Å; I923-I945 HydrophobicContact CD1-CG2 3.76Å; I923-I945 HydrophobicContact CG1-CG2 3.78Å; I923-D946 PolarHBondContact N-O 3.18Å; I923-F947 HydrophobicContact CB-CD1 3.88Å; I923-F947 HydrophobicContact CB-CE1 4.01Å; I923-F947 HydrophobicContact CD1-CE1 3.83Å; I923-F947 HydrophobicContact CD1-CZ 4.39Å; I923-F947 HydrophobicContact CG1-CE1 4.37Å; I923-F947 HydrophobicContact CG2-CD1 4.28Å; I923-F947 HydrophobicContact CG2-CE1 4.37Å; I923-F947 WeakPolarHBondContact O-CA 3.47Å; I923-G948 PolarHBondContact O-N 3.12Å
924	I	92	Very high	80.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.2	-175.1	-167.8	172.1	0	0	0	111.8	V883 S884 S885 V922 G948 W955 K1073 M1105	V883-I924 HydrophobicContact CG1-CG2 4.43Å; S884-I924 PolarHBondContact O-N 2.84Å; S885-I924 WeakPolarHBondContact CA-O 3.32Å; V922-I924 HydrophobicContact CG1-CB 4.47Å; I924-G948 WeakPolarHBondContact CA-O 3.47Å; I924-W955 HydrophobicContact CB-CH2 4.39Å; I924-W955 HydrophobicContact CD1-CH2 4.14Å; I924-W955 HydrophobicContact CD1-CZ2 3.98Å; I924-W955 HydrophobicContact CG1-CH2 4.36Å; I924-W955 HydrophobicContact CG1-CZ2 4.49Å; I924-K1073 HydrophobicContact CD1-CB 4.14Å; I924-K1073 HydrophobicContact CD1-CG 4.2Å; I924-K1073 HydrophobicContact CG1-CG 4.33Å; I924-K1073 HydrophobicContact CG2-CD 4.14Å; I924-K1073 PolarHBondContact O-NZ 3.3Å; I924-M1105 HydrophobicContact CG2-SD 3.73Å
925	S	87.7	Confident	80.3	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.028	23%	0.225	C	C	.	.			trans	-119.3	154.8	-177.8	-174.1	0	0	0	0	112.1	Y887 T927 G948 F950 M951	Y887-S925 WeakPolarHBondContact CE2-OG 3.44Å; S925-T927 VanDerWaalsContact C-N 3.27Å; S925-T927 PolarHBondContact OG-N 2.93Å; S925-T927 VanDerWaalsContact OG-N 3.1Å; S925-T927 PolarHBondContact OG-OG1 3.29Å; S925-G948 PolarHBondContact N-O 3.2Å; S925-F950 PolarHBondContact O-N 2.66Å; S925-M951 WeakPolarHBondContact O-CA 3.5Å; S925-M951 PolarHBondContact O-N 2.79Å
926	A	78.2	Confident	80.2	Confident	34 Å²	34	40.3 Å²	40.3	28%	0.281	21%	0.211	S	C	.	.	S	Bend	trans	-77.8	-15.5	168	0	0	0	0	0	112.6	M951 K1013	A926-M951 HydrophobicContact CB-CE 4.31Å; A926-M951 HydrophobicContact CB-CG 4.2Å; A926-K1013 PolarHBondContact O-NZ 2.96Å
927	T	75.7	Confident	80.4	Confident	42 Å²	42	35 Å²	35	26%	0.258	19%	0.186	S	C	.	.	S	Bend	trans	-81.6	164.3	170.2	65.5	0	0	0	0	110.6	Y887 S925 G949 F950	Y887-T927 HydrophobicContact CD2-CG2 4.13Å; Y887-T927 HydrophobicContact CE2-CG2 3.53Å; Y887-T927 VanDerWaalsContact CE2-OG1 3.32Å; Y887-T927 WeakPolarHBondContact CE2-OG1 3.36Å; S925-T927 VanDerWaalsContact C-N 3.27Å; S925-T927 PolarHBondContact OG-N 2.93Å; S925-T927 VanDerWaalsContact OG-N 3.1Å; S925-T927 PolarHBondContact OG-OG1 3.29Å; T927-G949 CarbonylContact O-C 3.55Å; T927-G949 VanDerWaalsContact O-CA 3.24Å; T927-G949 WeakPolarHBondContact O-CA 3.49Å; T927-F950 PolarHBondContact O-N 3.13Å
928	G	75	Confident	80.4	Confident	6 Å²	6	34.2 Å²	34.2	6%	0.062	18%	0.181	C	C	.	.			trans	-75.6	172.5	174.7	0	0	0	0	0	113.7	G933 L934 E954	G928-G933 CarbonylContact O-C 3.42Å; G928-G933 WeakPolarHBondContact O-CA 3.4Å; G928-L934 PolarHBondContact O-N 3.13Å; G928-E954 WeakPolarHBondContact CA-OE1 3.35Å
929	L	76.5	Confident	79.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-82.5	-33.5	175.6	-66.6	177.3	0	0	0	112.5	L934 L935 F947 E954 K956 M964	L929-L934 HydrophobicContact CD2-CB 4.21Å; L929-L934 HydrophobicContact CD2-CD2 4.21Å; L929-L935 HydrophobicContact CB-CD1 4.03Å; L929-L935 HydrophobicContact CB-CG 4.18Å; L929-L935 HydrophobicContact CD2-CG 4.23Å; L929-L935 WeakPolarHBondContact O-CB 3.42Å; L929-L935 PolarHBondContact O-N 3.21Å; L929-F947 HydrophobicContact CD2-CB 3.68Å; L929-E954 HydrophobicContact CD1-CB 4.21Å; L929-E954 HydrophobicContact CD1-CG 3.73Å; L929-E954 HydrophobicContact CG-CG 3.84Å; L929-E954 PolarHBondContact N-OE1 2.89Å; L929-K956 HydrophobicContact CD1-CB 4.22Å; L929-M964 HydrophobicContact CD1-CE 3.98Å; L929-M964 HydrophobicContact CD1-SD 4.43Å
930	R	68.2	Low	79.2	Confident	144 Å²	144	31.3 Å²	31.3	54%	0.543	16%	0.156	S	C	.	.	S	Bend	trans	-118.9	171.6	-170.3	-64.7	178.1	173.1	-169.9	-8.1	112.7	M964	R930-M964 VanDerWaalsContact NH2-CG 3.31Å
931	N	59.4	Low	77.9	Confident	126 Å²	126	31.1 Å²	31.1	67%	0.674	16%	0.162	S	C	*	.	S	Bend	trans	59.2	54.3	178.2	-61.8	-27.6	0	0	0	112.9
932	H	62	Low	76.6	Confident	88 Å²	88	32.1 Å²	32.1	41%	0.407	17%	0.168	S	C	.	.	S	Bend	trans	66.6	68.5	-163.2	-61.8	-66.2	0	0	0	111.4	D936	H932-D936 WeakPolarHBondContact CA-OD2 3.23Å; H932-D936 PolarHBondContact N-OD2 2.81Å
933	G	72	Confident	75.4	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.01	19%	0.194	C	C	.	.			trans	-127.2	-169.1	-177.9	0	0	0	0	0	113.8	G928 L935 D936 D937	G928-G933 CarbonylContact O-C 3.42Å; G928-G933 WeakPolarHBondContact O-CA 3.4Å; G933-L935 PolarHBondContact O-N 3.35Å; G933-L935 VanDerWaalsContact O-N 3.12Å; G933-D936 PolarHBondContact N-OD2 2.7Å; G933-D936 WeakPolarHBondContact O-CB 3.38Å; G933-D936 PolarHBondContact O-N 3Å; G933-D937 PolarHBondContact O-N 2.73Å
934	L	79.5	Confident	74.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-54.4	-34.6	-176.2	-175.6	59.8	0	0	0	113.6	F886 I923 G928 L929 D936 D937 F938 F947	F886-L934 HydrophobicContact CB-CD1 3.6Å; F886-L934 HydrophobicContact CD1-CD1 3.22Å; F886-L934 HydrophobicContact CD2-CD1 3.85Å; F886-L934 HydrophobicContact CE1-CD1 3.77Å; F886-L934 HydrophobicContact CE2-CD1 4.36Å; F886-L934 HydrophobicContact CG-CD1 3.25Å; F886-L934 HydrophobicContact CZ-CD1 4.31Å; I923-L934 HydrophobicContact CG2-CD1 4.25Å; I923-L934 HydrophobicContact CG2-CD2 4.16Å; G928-L934 PolarHBondContact O-N 3.13Å; L929-L934 HydrophobicContact CD2-CB 4.21Å; L929-L934 HydrophobicContact CD2-CD2 4.21Å; L934-D936 VanDerWaalsContact C-N 3.3Å; L934-D936 PolarHBondContact O-N 3.34Å; L934-D937 PolarHBondContact O-N 3.43Å; L934-F938 PolarHBondContact O-N 3.03Å; L934-F938 VanDerWaalsContact O-N 3.12Å; L934-F947 HydrophobicContact CD1-CD1 4.47Å; L934-F947 HydrophobicContact CD2-CB 4.15Å; L934-F947 HydrophobicContact CD2-CD1 3.68Å; L934-F947 HydrophobicContact CD2-CG 4.4Å; L934-F947 HydrophobicContact CG-CD1 3.71Å; L934-F947 HydrophobicContact CG-CE1 4.34Å
935	L	79.8	Confident	74.4	Confident	40 Å²	40	39.7 Å²	39.7	21%	0.209	21%	0.205	C	C	.	.	H	α-helix	trans	-73.2	-20.8	178.1	-62.3	176.9	0	0	0	113.5	L929 G933 F947 K956 F958	L929-L935 HydrophobicContact CB-CD1 4.03Å; L929-L935 HydrophobicContact CB-CG 4.18Å; L929-L935 HydrophobicContact CD2-CG 4.23Å; L929-L935 WeakPolarHBondContact O-CB 3.42Å; L929-L935 PolarHBondContact O-N 3.21Å; G933-L935 PolarHBondContact O-N 3.35Å; G933-L935 VanDerWaalsContact O-N 3.12Å; L935-F947 HydrophobicContact CD2-CB 3.9Å; L935-F947 HydrophobicContact CD2-CD2 3.76Å; L935-F947 HydrophobicContact CD2-CE2 4.42Å; L935-F947 HydrophobicContact CD2-CG 3.84Å; L935-K956 HydrophobicContact CD1-CB 4.39Å; L935-K956 HydrophobicContact CD1-CG 4.47Å; L935-K956 HydrophobicContact CD2-CB 4.46Å; L935-F958 HydrophobicContact CD2-CE2 4.05Å; L935-F958 HydrophobicContact CD2-CZ 4.48Å
936	D	76.1	Confident	74.6	Confident	58 Å²	58	39.7 Å²	39.7	31%	0.31	20%	0.204	S	C	.	.	H	α-helix	trans	-87.9	-24.9	174.7	-65.4	-51.6	0	0	0	112	R761 H932 G933 L934	R761-D936 WeakPolarHBondContact CD-O 3.41Å; R761-D936 PolarHBondContact NE-O 3.28Å; H932-D936 WeakPolarHBondContact CA-OD2 3.23Å; H932-D936 PolarHBondContact N-OD2 2.81Å; G933-D936 PolarHBondContact N-OD2 2.7Å; G933-D936 WeakPolarHBondContact O-CB 3.38Å; G933-D936 PolarHBondContact O-N 3Å; L934-D936 VanDerWaalsContact C-N 3.3Å; L934-D936 PolarHBondContact O-N 3.34Å
937	D	81.1	Confident	75.2	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-92.9	-22	-174.8	-71	-14.1	0	0	0	113.1	R761 F886 Y887 S900 Q902 G933 L934 P939	R761-D937 IonicContact CZ-OD1 3.53Å; R761-D937 IonicContact NE-OD1 3.96Å; R761-D937 IonicContact NH2-OD1 3.31Å; R761-D937 PolarHBondContact NH2-OD1 3.25Å; F886-D937 HydrophobicContact CE1-CB 3.79Å; F886-D937 HydrophobicContact CZ-CB 4.1Å; Y887-D937 PolarHBondContact OH-OD2 3.02Å; S900-D937 WeakPolarHBondContact O-CB 3.38Å; Q902-D937 PolarHBondContact N-O 3.42Å; G933-D937 PolarHBondContact O-N 2.73Å; L934-D937 PolarHBondContact O-N 3.43Å; D937-P939 WeakPolarHBondContact O-CD 3.41Å
938	F	85.4	Confident	75.9	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.009	18%	0.18	C	C	.	.	S	Bend	trans	-95.8	110.5	171.7	-158.1	-96.3	0	0	0	110.4	F886 Q902 V910 I923 L934 V940 I945 F947	F886-F938 HydrophobicContact CD2-CD2 4.41Å; F886-F938 AromaticContact CE2-CD2 3.72Å; F886-F938 HydrophobicContact CE2-CD2 3.72Å; F886-F938 HydrophobicContact CE2-CE2 4.46Å; F886-F938 HydrophobicContact CZ-CD2 4.45Å; Q902-F938 HydrophobicContact CB-CD2 4.06Å; Q902-F938 HydrophobicContact CG-CD2 4.03Å; Q902-F938 HydrophobicContact CG-CE2 3.99Å; V910-F938 HydrophobicContact CB-CE2 4.4Å; V910-F938 HydrophobicContact CB-CZ 4.02Å; V910-F938 HydrophobicContact CG1-CE2 4.18Å; V910-F938 HydrophobicContact CG1-CZ 3.78Å; I923-F938 HydrophobicContact CD1-CD2 4.4Å; I923-F938 HydrophobicContact CD1-CE2 4.05Å; I923-F938 HydrophobicContact CD1-CZ 4.31Å; L934-F938 PolarHBondContact O-N 3.03Å; L934-F938 VanDerWaalsContact O-N 3.12Å; F938-V940 HydrophobicContact CD1-CB 3.63Å; F938-V940 HydrophobicContact CD1-CG2 3.73Å; F938-V940 HydrophobicContact CE1-CB 3.53Å; F938-V940 HydrophobicContact CE1-CG1 4.43Å; F938-V940 HydrophobicContact CE1-CG2 3.36Å; F938-V940 HydrophobicContact CZ-CG2 4.2Å; F938-V940 PolarHBondContact O-N 3.27Å; F938-I945 HydrophobicContact CE1-CD1 3.89Å; F938-I945 HydrophobicContact CZ-CD1 4.04Å; F938-F947 HydrophobicContact CB-CE1 4.03Å; F938-F947 HydrophobicContact CB-CZ 4.16Å; F938-F947 HydrophobicContact CD1-CE1 4.16Å; F938-F947 AromaticContact CD1-CZ 3.63Å; F938-F947 HydrophobicContact CD1-CZ 3.63Å; F938-F947 HydrophobicContact CE1-CZ 4.19Å; F938-F947 AromaticContact CG-CE1 4Å; F938-F947 HydrophobicContact CG-CE1 4Å; F938-F947 AromaticContact CG-CZ 3.94Å; F938-F947 HydrophobicContact CG-CZ 3.94Å
939	P	77.1	Confident	76.4	Confident	8 Å²	8	36 Å²	36	5%	0.052	18%	0.177	C	C	.	.			trans	-80.5	39.7	-170	34.9	-37.5	0	0	0	113.2	R764 R765 V768 A907 D937	R764-P939 HydrophobicContact CB-CB 4.22Å; R765-P939 HydrophobicContact CB-CB 4.17Å; V768-P939 WeakPolarHBondContact CG1-O 3.33Å; V768-P939 HydrophobicContact CG2-CG 4.28Å; A907-P939 HydrophobicContact CB-CG 3.58Å; D937-P939 WeakPolarHBondContact O-CD 3.41Å
940	V	70.7	Confident	76.6	Confident	11 Å²	11	36.5 Å²	36.5	7%	0.067	18%	0.179	C	C	.	.			trans	-133	137.1	-178.1	-170.7	0	0	0	0	109.8	V768 A907 N911 F938 T942	V768-V940 HydrophobicContact CG1-CG2 3.67Å; A907-V940 HydrophobicContact CB-CG2 3.84Å; N911-V940 HydrophobicContact CB-CG1 4.2Å; N911-V940 HydrophobicContact CB-CG2 4.43Å; F938-V940 HydrophobicContact CD1-CB 3.63Å; F938-V940 HydrophobicContact CD1-CG2 3.73Å; F938-V940 HydrophobicContact CE1-CB 3.53Å; F938-V940 HydrophobicContact CE1-CG1 4.43Å; F938-V940 HydrophobicContact CE1-CG2 3.36Å; F938-V940 HydrophobicContact CZ-CG2 4.2Å; F938-V940 PolarHBondContact O-N 3.27Å; V940-T942 HydrophobicContact CG1-CG2 3.26Å; V940-T942 WeakPolarHBondContact CG1-OG1 3.38Å
941	D	62.4	Low	77.5	Confident	87 Å²	87	31.7 Å²	31.7	47%	0.465	16%	0.163	S	C	.	.			trans	-117.2	52.9	177.7	-155.1	-17.3	0	0	0	110.3	R765	R765-D941 IonicContact NH2-OD2 2.77Å; R765-D941 PolarHBondContact NH2-OD2 3.49Å
942	T	63.4	Low	78.8	Confident	23 Å²	23	25.7 Å²	25.7	14%	0.141	13%	0.131	C	C	.	.			trans	-100.9	145.2	-172.7	52.1	0	0	0	0	111.8	N911 V940 S944	N911-T942 WeakPolarHBondContact OD1-CB 3.39Å; N911-T942 WeakPolarHBondContact OD1-CG2 3.36Å; N911-T942 PolarHBondContact OD1-OG1 2.85Å; V940-T942 HydrophobicContact CG1-CG2 3.26Å; V940-T942 WeakPolarHBondContact CG1-OG1 3.38Å; T942-S944 WeakPolarHBondContact CB-OG 3.21Å; T942-S944 PolarHBondContact O-N 3.39Å; T942-S944 PolarHBondContact OG1-OG 2.97Å; T942-S944 VanDerWaalsContact OG1-OG 3.06Å
943	K	68.8	Low	79.7	Confident	127 Å²	127	22.4 Å²	22.4	55%	0.552	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-0.5	174.7	-68.9	-162.2	175.6	-159.2	0	114.4	D961	K943-D961 IonicContact NZ-OD1 2.65Å; K943-D961 PolarHBondContact NZ-OD1 3.16Å
944	S	76	Confident	80.3	Confident	32 Å²	32	23.3 Å²	23.3	22%	0.224	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-14.9	-168.3	49.3	0	0	0	0	115.1	N911 T942	N911-S944 PolarHBondContact OD1-OG 3.32Å; N911-S944 VanDerWaalsContact OD1-OG 3.12Å; T942-S944 WeakPolarHBondContact CB-OG 3.21Å; T942-S944 PolarHBondContact O-N 3.39Å; T942-S944 PolarHBondContact OG1-OG 2.97Å; T942-S944 VanDerWaalsContact OG1-OG 3.06Å
945	I	88.4	Confident	80.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.1	-173.8	-58.6	173.1	0	0	0	109.7	V910 A914 T921 I923 F938 F947 F958	V910-I945 HydrophobicContact CG1-CD1 4.08Å; A914-I945 HydrophobicContact CB-CD1 4.08Å; A914-I945 HydrophobicContact CB-CG1 3.75Å; T921-I945 HydrophobicContact CG2-CB 4.41Å; T921-I945 HydrophobicContact CG2-CG1 3.91Å; T921-I945 HydrophobicContact CG2-CG2 4.06Å; I923-I945 HydrophobicContact CB-CG2 4.37Å; I923-I945 HydrophobicContact CD1-CD1 4.49Å; I923-I945 HydrophobicContact CD1-CG2 3.76Å; I923-I945 HydrophobicContact CG1-CG2 3.78Å; F938-I945 HydrophobicContact CE1-CD1 3.89Å; F938-I945 HydrophobicContact CZ-CD1 4.04Å; I945-F947 HydrophobicContact CB-CE2 3.93Å; I945-F947 HydrophobicContact CB-CZ 4.08Å; I945-F947 HydrophobicContact CG2-CD1 4.41Å; I945-F947 HydrophobicContact CG2-CD2 4.15Å; I945-F947 HydrophobicContact CG2-CE1 3.94Å; I945-F947 HydrophobicContact CG2-CE2 3.64Å; I945-F947 HydrophobicContact CG2-CZ 3.52Å; I945-F947 WeakPolarHBondContact O-CD2 3.19Å; I945-F947 WeakPolarHBondContact O-CE2 3.18Å; I945-F958 VanDerWaalsContact O-CD2 3.23Å; I945-F958 WeakPolarHBondContact O-CD2 3.49Å
946	D	91.3	Very high	81	Confident	4 Å²	4	22.7 Å²	22.7	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	140.2	171.5	-64.7	-33.2	0	0	0	110.4	T921 V922 I923 F957 F958 S959 Y1080	T921-D946 PolarHBondContact O-N 3.31Å; V922-D946 WeakPolarHBondContact CA-O 3.49Å; V922-D946 HydrophobicContact CG2-CB 4.39Å; I923-D946 PolarHBondContact N-O 3.18Å; D946-F957 WeakPolarHBondContact OD1-CA 3.25Å; D946-F958 PolarHBondContact OD1-N 2.86Å; D946-S959 PolarHBondContact OD1-N 3.48Å; D946-S959 PolarHBondContact OD1-OG 2.86Å; D946-S959 PolarHBondContact OD2-OG 3.04Å; D946-Y1080 HydrophobicContact CB-CE2 3.64Å; D946-Y1080 WeakPolarHBondContact OD2-CE2 3.39Å; D946-Y1080 PolarHBondContact OD2-OH 3.03Å
947	F	91.1	Very high	81.5	Confident	5 Å²	5	20.1 Å²	20.1	2%	0.022	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.7	-173.9	-67.9	-87.3	0	0	0	111.6	I923 L929 L934 L935 F938 I945 W955 K956 F958	I923-F947 HydrophobicContact CB-CD1 3.88Å; I923-F947 HydrophobicContact CB-CE1 4.01Å; I923-F947 HydrophobicContact CD1-CE1 3.83Å; I923-F947 HydrophobicContact CD1-CZ 4.39Å; I923-F947 HydrophobicContact CG1-CE1 4.37Å; I923-F947 HydrophobicContact CG2-CD1 4.28Å; I923-F947 HydrophobicContact CG2-CE1 4.37Å; I923-F947 WeakPolarHBondContact O-CA 3.47Å; L929-F947 HydrophobicContact CD2-CB 3.68Å; L934-F947 HydrophobicContact CD1-CD1 4.47Å; L934-F947 HydrophobicContact CD2-CB 4.15Å; L934-F947 HydrophobicContact CD2-CD1 3.68Å; L934-F947 HydrophobicContact CD2-CG 4.4Å; L934-F947 HydrophobicContact CG-CD1 3.71Å; L934-F947 HydrophobicContact CG-CE1 4.34Å; L935-F947 HydrophobicContact CD2-CB 3.9Å; L935-F947 HydrophobicContact CD2-CD2 3.76Å; L935-F947 HydrophobicContact CD2-CE2 4.42Å; L935-F947 HydrophobicContact CD2-CG 3.84Å; F938-F947 HydrophobicContact CB-CE1 4.03Å; F938-F947 HydrophobicContact CB-CZ 4.16Å; F938-F947 HydrophobicContact CD1-CE1 4.16Å; F938-F947 AromaticContact CD1-CZ 3.63Å; F938-F947 HydrophobicContact CD1-CZ 3.63Å; F938-F947 HydrophobicContact CE1-CZ 4.19Å; F938-F947 AromaticContact CG-CE1 4Å; F938-F947 HydrophobicContact CG-CE1 4Å; F938-F947 AromaticContact CG-CZ 3.94Å; F938-F947 HydrophobicContact CG-CZ 3.94Å; I945-F947 HydrophobicContact CB-CE2 3.93Å; I945-F947 HydrophobicContact CB-CZ 4.08Å; I945-F947 HydrophobicContact CG2-CD1 4.41Å; I945-F947 HydrophobicContact CG2-CD2 4.15Å; I945-F947 HydrophobicContact CG2-CE1 3.94Å; I945-F947 HydrophobicContact CG2-CE2 3.64Å; I945-F947 HydrophobicContact CG2-CZ 3.52Å; I945-F947 WeakPolarHBondContact O-CD2 3.19Å; I945-F947 WeakPolarHBondContact O-CE2 3.18Å; F947-W955 VanDerWaalsContact C-CE3 3.47Å; F947-W955 CarbonylContact O-C 3.47Å; F947-W955 WeakPolarHBondContact O-CA 3.36Å; F947-K956 PolarHBondContact N-O 3.12Å; F947-K956 VanDerWaalsContact N-O 3.16Å; F947-K956 PolarHBondContact O-N 3.06Å; F947-F958 AromaticContact CD2-CD2 4Å; F947-F958 HydrophobicContact CD2-CD2 4Å; F947-F958 AromaticContact CD2-CE2 3.74Å; F947-F958 HydrophobicContact CD2-CE2 3.74Å; F947-F958 HydrophobicContact CE2-CD2 4.38Å; F947-F958 HydrophobicContact CE2-CE2 4.11Å
948	G	90.2	Very high	81.2	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.8	177.9	0	0	0	0	0	112.4	I923 I924 S925 E954 W955	I923-G948 PolarHBondContact O-N 3.12Å; I924-G948 WeakPolarHBondContact CA-O 3.47Å; S925-G948 PolarHBondContact N-O 3.2Å; G948-E954 CarbonylContact C-O 3.58Å; G948-E954 VanDerWaalsContact CA-O 3.31Å; G948-E954 WeakPolarHBondContact CA-O 3.22Å; G948-W955 VanDerWaalsContact CA-CE3 3.47Å
949	G	86.1	Confident	80.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	161.9	174.5	0	0	0	0	0	112.6	T927 M951 G952 Q953 E954	T927-G949 CarbonylContact O-C 3.55Å; T927-G949 VanDerWaalsContact O-CA 3.24Å; T927-G949 WeakPolarHBondContact O-CA 3.49Å; G949-M951 VanDerWaalsContact C-N 3.31Å; G949-M951 PolarHBondContact O-N 2.94Å; G949-G952 CarbonylContact O-C 3.57Å; G949-G952 WeakPolarHBondContact O-CA 3.26Å; G949-G952 PolarHBondContact O-N 3.4Å; G949-Q953 PolarHBondContact O-N 2.9Å; G949-E954 PolarHBondContact N-O 3.21Å; G949-E954 PolarHBondContact O-N 3.27Å
950	F	80.9	Confident	80.1	Confident	10 Å²	10	27.8 Å²	27.8	4%	0.044	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	48.9	-177.1	-59.4	-63.3	0	0	0	113.8	S925 T927 G952 Q953 E954 L968 H1008	S925-F950 PolarHBondContact O-N 2.66Å; T927-F950 PolarHBondContact O-N 3.13Å; F950-G952 PolarHBondContact O-N 3.18Å; F950-Q953 HydrophobicContact CB-CB 4.25Å; F950-Q953 WeakPolarHBondContact O-CG 3.47Å; F950-Q953 PolarHBondContact O-N 3Å; F950-Q953 PolarHBondContact O-NE2 2.97Å; F950-E954 HydrophobicContact CD2-CG 3.84Å; F950-E954 VanDerWaalsContact CD2-OE1 3.24Å; F950-E954 WeakPolarHBondContact CD2-OE1 3.49Å; F950-E954 HydrophobicContact CE2-CG 4.37Å; F950-E954 WeakPolarHBondContact CE2-OE1 3.17Å; F950-L968 HydrophobicContact CB-CD2 4.38Å; F950-L968 HydrophobicContact CD2-CD1 3.74Å; F950-L968 HydrophobicContact CE2-CD1 4.26Å; F950-H1008 HydrophobicContact CE1-CB 4.31Å; F950-H1008 AromaticContact CE1-CD2 3.29Å; F950-H1008 WeakPolarHBondContact CE1-CD2 3.18Å; F950-H1008 AromaticContact CE1-CE1 3.64Å; F950-H1008 AromaticContact CE1-CG 3.55Å; F950-H1008 AromaticContact CE1-ND1 3.78Å; F950-H1008 AromaticContact CE1-NE2 3.33Å; F950-H1008 VanDerWaalsContact CE1-NE2 3.33Å; F950-H1008 WeakPolarHBondContact CE1-NE2 3.46Å; F950-H1008 HydrophobicContact CE2-CB 4.43Å; F950-H1008 HydrophobicContact CZ-CB 3.97Å; F950-H1008 AromaticContact CZ-CD2 3.51Å; F950-H1008 AromaticContact CZ-CE1 3.24Å; F950-H1008 WeakPolarHBondContact CZ-CE1 3.42Å; F950-H1008 AromaticContact CZ-CG 3.26Å; F950-H1008 AromaticContact CZ-ND1 3.12Å; F950-H1008 WeakPolarHBondContact CZ-ND1 3.48Å; F950-H1008 AromaticContact CZ-NE2 3.47Å; F950-H1008 WeakPolarHBondContact CZ-NE2 3.41Å
951	M	85.4	Confident	79.5	Confident	43 Å²	43	32.8 Å²	32.8	21%	0.212	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	24.5	-176.2	-53.2	173.2	150.1	0	0	113.1	S925 A926 G949 F1071 K1073 G1076	S925-M951 WeakPolarHBondContact O-CA 3.5Å; S925-M951 PolarHBondContact O-N 2.79Å; A926-M951 HydrophobicContact CB-CE 4.31Å; A926-M951 HydrophobicContact CB-CG 4.2Å; G949-M951 VanDerWaalsContact C-N 3.31Å; G949-M951 PolarHBondContact O-N 2.94Å; M951-F1071 HydrophobicContact CB-CD1 4.33Å; M951-F1071 WeakPolarHBondContact O-CE1 3.23Å; M951-F1071 VanDerWaalsContact SD-O 3.38Å; M951-K1073 HydrophobicContact CB-CG 3.84Å; M951-K1073 HydrophobicContact CG-CG 4.06Å; M951-G1076 WeakPolarHBondContact O-CA 3.38Å
952	G	86.9	Confident	79.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	24.7	178.3	0	0	0	0	0	114.4	G949 F950 W955 G1076	G949-G952 CarbonylContact O-C 3.57Å; G949-G952 WeakPolarHBondContact O-CA 3.26Å; G949-G952 PolarHBondContact O-N 3.4Å; F950-G952 PolarHBondContact O-N 3.18Å; G952-W955 PolarHBondContact O-NE1 2.74Å; G952-G1076 WeakPolarHBondContact O-CA 3.41Å
953	Q	82.1	Confident	79.2	Confident	19 Å²	19	38.8 Å²	38.8	9%	0.089	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-18.5	169	-64.8	172.8	83.1	0	0	112.5	G949 F950 S966 C967 L968 F1071	G949-Q953 PolarHBondContact O-N 2.9Å; F950-Q953 HydrophobicContact CB-CB 4.25Å; F950-Q953 WeakPolarHBondContact O-CG 3.47Å; F950-Q953 PolarHBondContact O-N 3Å; F950-Q953 PolarHBondContact O-NE2 2.97Å; Q953-S966 CarbonylContact O-C 3.59Å; Q953-S966 VanDerWaalsContact O-CA 3.28Å; Q953-S966 WeakPolarHBondContact O-CA 3.34Å; Q953-C967 PolarHBondContact O-N 3.39Å; Q953-C967 PolarHBondContact O-SG 3.29Å; Q953-L968 HydrophobicContact CB-CD2 3.24Å; Q953-L968 HydrophobicContact CB-CG 3.72Å; Q953-L968 HydrophobicContact CG-CD2 3.87Å; Q953-F1071 HydrophobicContact CB-CE1 4.4Å; Q953-F1071 HydrophobicContact CB-CZ 4.47Å; Q953-F1071 HydrophobicContact CG-CD1 3.44Å; Q953-F1071 VanDerWaalsContact CG-CD1 3.44Å; Q953-F1071 HydrophobicContact CG-CD2 4.06Å; Q953-F1071 HydrophobicContact CG-CE1 3.19Å; Q953-F1071 HydrophobicContact CG-CE2 3.83Å; Q953-F1071 HydrophobicContact CG-CG 3.89Å; Q953-F1071 HydrophobicContact CG-CZ 3.39Å
954	E	84.4	Confident	79.5	Confident	19 Å²	19	35.6 Å²	35.6	9%	0.089	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.5	167.1	62.6	175.3	175.2	0	0	110.3	G928 L929 G948 G949 F950 Y965	G928-E954 WeakPolarHBondContact CA-OE1 3.35Å; L929-E954 HydrophobicContact CD1-CB 4.21Å; L929-E954 HydrophobicContact CD1-CG 3.73Å; L929-E954 HydrophobicContact CG-CG 3.84Å; L929-E954 PolarHBondContact N-OE1 2.89Å; G948-E954 CarbonylContact C-O 3.58Å; G948-E954 VanDerWaalsContact CA-O 3.31Å; G948-E954 WeakPolarHBondContact CA-O 3.22Å; G949-E954 PolarHBondContact N-O 3.21Å; G949-E954 PolarHBondContact O-N 3.27Å; F950-E954 HydrophobicContact CD2-CG 3.84Å; F950-E954 VanDerWaalsContact CD2-OE1 3.24Å; F950-E954 WeakPolarHBondContact CD2-OE1 3.49Å; F950-E954 HydrophobicContact CE2-CG 4.37Å; F950-E954 WeakPolarHBondContact CE2-OE1 3.17Å; E954-Y965 CarbonylContact C-O 3.54Å; E954-Y965 WeakPolarHBondContact CA-O 3.33Å
955	W	88.4	Confident	79.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.4	-176.2	-73.1	95	0	0	0	111.2	V922 I924 F947 G948 G952 F957 M964 Y965 G1076 Y1080	V922-W955 HydrophobicContact CG1-CH2 3.5Å; V922-W955 VanDerWaalsContact CG1-CH2 3.5Å; V922-W955 HydrophobicContact CG1-CZ3 3.67Å; V922-W955 HydrophobicContact CG2-CZ3 4.41Å; I924-W955 HydrophobicContact CB-CH2 4.39Å; I924-W955 HydrophobicContact CD1-CH2 4.14Å; I924-W955 HydrophobicContact CD1-CZ2 3.98Å; I924-W955 HydrophobicContact CG1-CH2 4.36Å; I924-W955 HydrophobicContact CG1-CZ2 4.49Å; F947-W955 VanDerWaalsContact C-CE3 3.47Å; F947-W955 CarbonylContact O-C 3.47Å; F947-W955 WeakPolarHBondContact O-CA 3.36Å; G948-W955 VanDerWaalsContact CA-CE3 3.47Å; G952-W955 PolarHBondContact O-NE1 2.74Å; W955-F957 HydrophobicContact CB-CD1 4.31Å; W955-F957 HydrophobicContact CB-CD2 4.32Å; W955-F957 HydrophobicContact CB-CE1 3.73Å; W955-F957 HydrophobicContact CB-CE2 3.75Å; W955-F957 HydrophobicContact CB-CZ 3.4Å; W955-F957 VanDerWaalsContact CB-CZ 3.4Å; W955-F957 HydrophobicContact CD2-CE1 4.19Å; W955-F957 HydrophobicContact CD2-CZ 4.45Å; W955-F957 HydrophobicContact CE3-CE1 4.33Å; W955-F957 AromaticContact CG-CE1 3.94Å; W955-F957 HydrophobicContact CG-CE1 3.94Å; W955-F957 AromaticContact CG-CZ 3.75Å; W955-F957 HydrophobicContact CG-CZ 3.75Å; W955-M964 WeakPolarHBondContact O-CA 3.4Å; W955-Y965 PolarHBondContact N-O 3.47Å; W955-Y965 PolarHBondContact O-N 3.08Å; W955-G1076 WeakPolarHBondContact CZ2-O 3.37Å; W955-G1076 PolarHBondContact NE1-O 2.88Å; W955-Y1080 AromaticContact CD2-CD2 3.91Å; W955-Y1080 HydrophobicContact CD2-CD2 3.91Å; W955-Y1080 AromaticContact CE3-CD2 3.53Å; W955-Y1080 HydrophobicContact CE3-CD2 3.53Å; W955-Y1080 HydrophobicContact CE3-CE2 4.15Å; W955-Y1080 HydrophobicContact CE3-CG 4.5Å; W955-Y1080 AromaticContact CH2-CD2 3.79Å; W955-Y1080 HydrophobicContact CH2-CD2 3.79Å; W955-Y1080 HydrophobicContact CH2-CG 4.04Å; W955-Y1080 HydrophobicContact CZ2-CD2 4.14Å; W955-Y1080 HydrophobicContact CZ2-CG 4.22Å; W955-Y1080 AromaticContact CZ3-CD2 3.46Å; W955-Y1080 HydrophobicContact CZ3-CD2 3.46Å; W955-Y1080 VanDerWaalsContact CZ3-CD2 3.46Å; W955-Y1080 HydrophobicContact CZ3-CE2 4.06Å; W955-Y1080 HydrophobicContact CZ3-CG 4.18Å
956	K	85.5	Confident	79.2	Confident	28 Å²	28	40.8 Å²	40.8	12%	0.122	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	108.3	161.3	-175.1	68.3	-177.9	179	0	108.3	L929 L935 F947 F958 F962 M964	L929-K956 HydrophobicContact CD1-CB 4.22Å; L935-K956 HydrophobicContact CD1-CB 4.39Å; L935-K956 HydrophobicContact CD1-CG 4.47Å; L935-K956 HydrophobicContact CD2-CB 4.46Å; F947-K956 PolarHBondContact N-O 3.12Å; F947-K956 VanDerWaalsContact N-O 3.16Å; F947-K956 PolarHBondContact O-N 3.06Å; K956-F958 HydrophobicContact CB-CD2 4.47Å; K956-F958 HydrophobicContact CB-CE2 4.18Å; K956-F958 HydrophobicContact CG-CD2 3.76Å; K956-F958 HydrophobicContact CG-CE2 3.37Å; K956-F958 HydrophobicContact CG-CZ 3.88Å; K956-F962 PolarHBondContact NZ-O 3.44Å; K956-M964 HydrophobicContact CB-SD 4.09Å; K956-M964 HydrophobicContact CD-CG 4.02Å; K956-M964 HydrophobicContact CD-SD 3.6Å; K956-M964 VanDerWaalsContact CD-SD 3.6Å; K956-M964 HydrophobicContact CG-SD 4.39Å
957	F	85.2	Confident	78.3	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.018	22%	0.219	C	C	.	.			trans	-90.9	100.5	177.5	-53.7	-69.1	0	0	0	109.7	D946 W955 S959 F962 Y965 Y1080 K1083 M1084	D946-F957 WeakPolarHBondContact OD1-CA 3.25Å; W955-F957 HydrophobicContact CB-CD1 4.31Å; W955-F957 HydrophobicContact CB-CD2 4.32Å; W955-F957 HydrophobicContact CB-CE1 3.73Å; W955-F957 HydrophobicContact CB-CE2 3.75Å; W955-F957 HydrophobicContact CB-CZ 3.4Å; W955-F957 VanDerWaalsContact CB-CZ 3.4Å; W955-F957 HydrophobicContact CD2-CE1 4.19Å; W955-F957 HydrophobicContact CD2-CZ 4.45Å; W955-F957 HydrophobicContact CE3-CE1 4.33Å; W955-F957 AromaticContact CG-CE1 3.94Å; W955-F957 HydrophobicContact CG-CE1 3.94Å; W955-F957 AromaticContact CG-CZ 3.75Å; W955-F957 HydrophobicContact CG-CZ 3.75Å; F957-S959 VanDerWaalsContact C-N 3.3Å; F957-F962 PolarHBondContact O-N 2.89Å; F957-Y965 VanDerWaalsContact CE2-CB 3.48Å; F957-Y965 HydrophobicContact CE2-CG 4.13Å; F957-Y1080 HydrophobicContact CD1-CD2 4.16Å; F957-Y1080 AromaticContact CD1-CE2 3.86Å; F957-Y1080 HydrophobicContact CD1-CE2 3.86Å; F957-Y1080 AromaticContact CE1-CD2 3.54Å; F957-Y1080 HydrophobicContact CE1-CD2 3.54Å; F957-Y1080 AromaticContact CE1-CE2 3.72Å; F957-Y1080 HydrophobicContact CE1-CE2 3.72Å; F957-K1083 HydrophobicContact CE2-CG 3.98Å; F957-K1083 HydrophobicContact CZ-CB 4.26Å; F957-K1083 HydrophobicContact CZ-CG 3.85Å; F957-M1084 HydrophobicContact CD1-CG 4.41Å; F957-M1084 HydrophobicContact CD1-SD 3.86Å; F957-M1084 HydrophobicContact CE1-CG 4.21Å; F957-M1084 HydrophobicContact CE1-SD 4.16Å; F957-M1084 HydrophobicContact CG-SD 4.43Å
958	F	75.8	Confident	77.1	Confident	14 Å²	14	43.1 Å²	43.1	6%	0.061	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-20.9	175.7	-82	-81.6	0	0	0	112	L935 I945 D946 F947 K956 F962	L935-F958 HydrophobicContact CD2-CE2 4.05Å; L935-F958 HydrophobicContact CD2-CZ 4.48Å; I945-F958 VanDerWaalsContact O-CD2 3.23Å; I945-F958 WeakPolarHBondContact O-CD2 3.49Å; D946-F958 PolarHBondContact OD1-N 2.86Å; F947-F958 AromaticContact CD2-CD2 4Å; F947-F958 HydrophobicContact CD2-CD2 4Å; F947-F958 AromaticContact CD2-CE2 3.74Å; F947-F958 HydrophobicContact CD2-CE2 3.74Å; F947-F958 HydrophobicContact CE2-CD2 4.38Å; F947-F958 HydrophobicContact CE2-CE2 4.11Å; K956-F958 HydrophobicContact CB-CD2 4.47Å; K956-F958 HydrophobicContact CB-CE2 4.18Å; K956-F958 HydrophobicContact CG-CD2 3.76Å; K956-F958 HydrophobicContact CG-CE2 3.37Å; K956-F958 HydrophobicContact CG-CZ 3.88Å; F958-F962 HydrophobicContact CD1-CD1 4.26Å; F958-F962 AromaticContact CD1-CE1 3.75Å; F958-F962 HydrophobicContact CD1-CE1 3.75Å; F958-F962 HydrophobicContact CD1-CZ 4.34Å; F958-F962 HydrophobicContact CE1-CD1 4.16Å; F958-F962 AromaticContact CE1-CE1 3.56Å; F958-F962 HydrophobicContact CE1-CE1 3.56Å; F958-F962 HydrophobicContact CE1-CZ 4.41Å
959	S	70.4	Confident	75.8	Confident	61 Å²	61	45.9 Å²	45.9	43%	0.427	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.6	176	54.5	0	0	0	0	115	D946 F957 M1084	D946-S959 PolarHBondContact OD1-N 3.48Å; D946-S959 PolarHBondContact OD1-OG 2.86Å; D946-S959 PolarHBondContact OD2-OG 3.04Å; F957-S959 VanDerWaalsContact C-N 3.3Å; S959-M1084 WeakPolarHBondContact OG-CE 3.47Å
960	Q	68.1	Low	74.8	Confident	97 Å²	97	50.4 Å²	50.4	45%	0.453	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	40.4	-175.6	-64.6	-172.1	-4.9	0	0	113.8	M1084	Q960-M1084 HydrophobicContact CG-CE 4.14Å; Q960-M1084 HydrophobicContact CG-SD 4.23Å; Q960-M1084 PolarHBondContact NE2-SD 3.46Å; Q960-M1084 VanDerWaalsContact NE2-SD 3.41Å
961	D	59.6	Low	74.2	Confident	115 Å²	115	50.3 Å²	50.3	62%	0.615	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	59.9	175.4	-71.6	-33.2	0	0	0	116.1	K943 E963	K943-D961 IonicContact NZ-OD1 2.65Å; K943-D961 PolarHBondContact NZ-OD1 3.16Å; D961-E963 PolarHBondContact O-N 3.12Å
962	F	57.8	Low	73.7	Confident	99 Å²	99	51.2 Å²	51.2	43%	0.434	27%	0.274	S	S	.	.	S	Bend	trans	67.4	21.1	156.3	-64.5	-82.6	0	0	0	118.8	K956 F957 F958 M964	K956-F962 PolarHBondContact NZ-O 3.44Å; F957-F962 PolarHBondContact O-N 2.89Å; F958-F962 HydrophobicContact CD1-CD1 4.26Å; F958-F962 AromaticContact CD1-CE1 3.75Å; F958-F962 HydrophobicContact CD1-CE1 3.75Å; F958-F962 HydrophobicContact CD1-CZ 4.34Å; F958-F962 HydrophobicContact CE1-CD1 4.16Å; F958-F962 AromaticContact CE1-CE1 3.56Å; F958-F962 HydrophobicContact CE1-CE1 3.56Å; F958-F962 HydrophobicContact CE1-CZ 4.41Å; F962-M964 PolarHBondContact O-N 3.39Å
963	E	61.7	Low	73.1	Confident	137 Å²	137	55.1 Å²	55.1	64%	0.64	31%	0.307	S	S	*	.			trans	-71.7	132.2	168.1	-70.5	-164.1	160.9	0	0	112.1	D961	D961-E963 PolarHBondContact O-N 3.12Å
964	M	74.4	Confident	72.8	Confident	61 Å²	61	58 Å²	58	30%	0.3	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.8	164	-76.6	-82.3	-46.7	0	0	107.6	L929 R930 W955 K956 F962	L929-M964 HydrophobicContact CD1-CE 3.98Å; L929-M964 HydrophobicContact CD1-SD 4.43Å; R930-M964 VanDerWaalsContact NH2-CG 3.31Å; W955-M964 WeakPolarHBondContact O-CA 3.4Å; K956-M964 HydrophobicContact CB-SD 4.09Å; K956-M964 HydrophobicContact CD-CG 4.02Å; K956-M964 HydrophobicContact CD-SD 3.6Å; K956-M964 VanDerWaalsContact CD-SD 3.6Å; K956-M964 HydrophobicContact CG-SD 4.39Å; F962-M964 PolarHBondContact O-N 3.39Å
965	Y	80.6	Confident	72.5	Confident	76 Å²	76	57.8 Å²	57.8	30%	0.298	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	140	174.6	175	-93.7	0	0	0	109.4	E954 W955 F957 C967 V1079	E954-Y965 CarbonylContact C-O 3.54Å; E954-Y965 WeakPolarHBondContact CA-O 3.33Å; W955-Y965 PolarHBondContact N-O 3.47Å; W955-Y965 PolarHBondContact O-N 3.08Å; F957-Y965 VanDerWaalsContact CE2-CB 3.48Å; F957-Y965 HydrophobicContact CE2-CG 4.13Å; Y965-C967 HydrophobicContact CE1-CB 4.09Å; Y965-V1079 HydrophobicContact CD1-CG1 4.3Å; Y965-V1079 HydrophobicContact CE1-CG1 3.48Å; Y965-V1079 VanDerWaalsContact CE1-CG1 3.48Å
966	S	77.7	Confident	72.2	Confident	64 Å²	64	62.3 Å²	62.3	45%	0.448	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	123.9	174.9	168.3	0	0	0	0	109.4	Q953 L968	Q953-S966 CarbonylContact O-C 3.59Å; Q953-S966 VanDerWaalsContact O-CA 3.28Å; Q953-S966 WeakPolarHBondContact O-CA 3.34Å; S966-L968 WeakPolarHBondContact OG-CB 3.5Å; S966-L968 PolarHBondContact OG-N 3Å
967	C	71.6	Confident	72.1	Confident	48 Å²	48	67 Å²	67	32%	0.324	37%	0.372	S	S	.	.			trans	-100.2	12.3	168.6	66.3	0	0	0	0	112.2	Q953 Y965	Q953-C967 PolarHBondContact O-N 3.39Å; Q953-C967 PolarHBondContact O-SG 3.29Å; Y965-C967 HydrophobicContact CE1-CB 4.09Å
968	L	66.5	Low	72	Confident	11 Å²	11	69.4 Å²	69.4	6%	0.058	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-60.2	129.4	177.2	-68.3	172.5	0	0	0	110.6	F950 Q953 S966 V970 T1009 H1010	F950-L968 HydrophobicContact CB-CD2 4.38Å; F950-L968 HydrophobicContact CD2-CD1 3.74Å; F950-L968 HydrophobicContact CE2-CD1 4.26Å; Q953-L968 HydrophobicContact CB-CD2 3.24Å; Q953-L968 HydrophobicContact CB-CG 3.72Å; Q953-L968 HydrophobicContact CG-CD2 3.87Å; S966-L968 WeakPolarHBondContact OG-CB 3.5Å; S966-L968 PolarHBondContact OG-N 3Å; L968-V970 PolarHBondContact O-N 3.14Å; L968-T1009 WeakPolarHBondContact CB-OG1 3.47Å; L968-T1009 VanDerWaalsContact CD1-OG1 3.22Å; L968-T1009 WeakPolarHBondContact CD1-OG1 3.48Å; L968-H1010 WeakPolarHBondContact CD2-CE1 3.26Å; L968-H1010 WeakPolarHBondContact CD2-ND1 3.44Å
969	P	63.7	Low	72.5	Confident	58 Å²	58	68.8 Å²	68.8	38%	0.377	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-62	123.9	171.1	24.8	-30.5	0	0	0	108.6	H1010	P969-H1010 HydrophobicContact CG-CB 4.18Å; P969-H1010 VanDerWaalsContact O-CB 3.27Å; P969-H1010 WeakPolarHBondContact O-CB 3.43Å
970	V	64.7	Low	73.2	Confident	94 Å²	94	68.5 Å²	68.5	57%	0.57	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-80.7	133.6	177.1	-172.8	0	0	0	0	107.9	L968	L968-V970 PolarHBondContact O-N 3.14Å
971	F	68.4	Low	74.1	Confident	8 Å²	8	70.2 Å²	70.2	4%	0.035	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-50.3	131	167.9	-69.9	-66.6	0	0	0	109.6	A973 I975 Q976 M979 T1009 H1010 M1062	F971-A973 PolarHBondContact O-N 2.87Å; F971-I975 HydrophobicContact CB-CB 4.27Å; F971-I975 HydrophobicContact CB-CG2 4.22Å; F971-I975 HydrophobicContact CD1-CB 4.36Å; F971-I975 HydrophobicContact CD1-CG2 3.49Å; F971-I975 VanDerWaalsContact CD1-CG2 3.49Å; F971-I975 HydrophobicContact CE1-CG2 4.13Å; F971-I975 HydrophobicContact CG-CG2 4.13Å; F971-Q976 HydrophobicContact CB-CB 3.91Å; F971-Q976 HydrophobicContact CB-CG 4.49Å; F971-M979 HydrophobicContact CD1-CG 3.98Å; F971-M979 HydrophobicContact CD2-CB 4.24Å; F971-M979 HydrophobicContact CD2-CG 3.94Å; F971-M979 HydrophobicContact CE1-CE 4.13Å; F971-M979 HydrophobicContact CE1-CG 3.69Å; F971-M979 HydrophobicContact CE1-SD 4.06Å; F971-M979 HydrophobicContact CE2-CB 4.1Å; F971-M979 HydrophobicContact CE2-CE 3.78Å; F971-M979 HydrophobicContact CE2-CG 3.69Å; F971-M979 HydrophobicContact CE2-SD 4.41Å; F971-M979 HydrophobicContact CG-CG 4.1Å; F971-M979 HydrophobicContact CZ-CB 4.43Å; F971-M979 HydrophobicContact CZ-CE 3.32Å; F971-M979 HydrophobicContact CZ-CG 3.56Å; F971-M979 HydrophobicContact CZ-SD 3.82Å; F971-T1009 WeakPolarHBondContact CD2-O 3.43Å; F971-T1009 WeakPolarHBondContact CE2-O 3.42Å; F971-T1009 PolarHBondContact N-O 3.06Å; F971-T1009 VanDerWaalsContact N-O 3.14Å; F971-H1010 VanDerWaalsContact CE2-CA 3.41Å; F971-H1010 WeakPolarHBondContact CZ-O 3.19Å; F971-M1062 HydrophobicContact CD1-CG 3.44Å; F971-M1062 VanDerWaalsContact CD1-CG 3.44Å; F971-M1062 HydrophobicContact CD1-SD 3.69Å; F971-M1062 HydrophobicContact CE1-CB 4.49Å; F971-M1062 HydrophobicContact CE1-CG 3.27Å; F971-M1062 HydrophobicContact CE1-SD 4.17Å
972	P	73.3	Confident	75.6	Confident	62 Å²	62	64.8 Å²	64.8	40%	0.403	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-48.3	144	166.8	-25.9	32.6	0	0	0	110	S974 I975 Q976	P972-S974 PolarHBondContact O-N 2.87Å; P972-I975 HydrophobicContact CB-CD1 4.46Å; P972-I975 HydrophobicContact CB-CG1 4.38Å; P972-I975 HydrophobicContact CG-CD1 3.97Å; P972-I975 HydrophobicContact CG-CG1 4.4Å; P972-I975 CarbonylContact O-C 3.6Å; P972-I975 WeakPolarHBondContact O-CA 3.19Å; P972-I975 PolarHBondContact O-N 3.36Å; P972-Q976 PolarHBondContact O-N 2.92Å
973	A	76.2	Confident	77.2	Confident	82 Å²	82	62.4 Å²	62.4	68%	0.678	34%	0.337	S	S	*	.	H	α-helix	trans	-50.5	-37.8	-173.3	0	0	0	0	0	113.2	F971 Q976 E977	F971-A973 PolarHBondContact O-N 2.87Å; A973-Q976 PolarHBondContact O-N 2.73Å; A973-E977 PolarHBondContact O-N 2.91Å
974	S	75.3	Confident	78.5	Confident	79 Å²	79	60.8 Å²	60.8	55%	0.552	33%	0.33	S	S	*	.	H	α-helix	trans	-63.2	-39.1	174.5	55.4	0	0	0	0	113.6	P972 H978	P972-S974 PolarHBondContact O-N 2.87Å; S974-H978 PolarHBondContact O-ND1 2.74Å
975	I	78.4	Confident	79.4	Confident	16 Å²	16	61.9 Å²	61.9	8%	0.082	33%	0.331	C	S	.	.	H	α-helix	trans	-78.4	-34.7	177.7	-59.5	-178.2	0	0	0	110.4	F971 P972 E977 H978 M979 L1045 L1048 M1062	F971-I975 HydrophobicContact CB-CB 4.27Å; F971-I975 HydrophobicContact CB-CG2 4.22Å; F971-I975 HydrophobicContact CD1-CB 4.36Å; F971-I975 HydrophobicContact CD1-CG2 3.49Å; F971-I975 VanDerWaalsContact CD1-CG2 3.49Å; F971-I975 HydrophobicContact CE1-CG2 4.13Å; F971-I975 HydrophobicContact CG-CG2 4.13Å; P972-I975 HydrophobicContact CB-CD1 4.46Å; P972-I975 HydrophobicContact CB-CG1 4.38Å; P972-I975 HydrophobicContact CG-CD1 3.97Å; P972-I975 HydrophobicContact CG-CG1 4.4Å; P972-I975 CarbonylContact O-C 3.6Å; P972-I975 WeakPolarHBondContact O-CA 3.19Å; P972-I975 PolarHBondContact O-N 3.36Å; I975-E977 VanDerWaalsContact C-N 3.3Å; I975-E977 PolarHBondContact O-N 2.97Å; I975-H978 CarbonylContact O-C 3.59Å; I975-H978 WeakPolarHBondContact O-CB 3.14Å; I975-H978 PolarHBondContact O-N 2.99Å; I975-H978 VanDerWaalsContact O-N 3.11Å; I975-M979 HydrophobicContact CG2-CG 4.03Å; I975-M979 WeakPolarHBondContact O-CG 3.26Å; I975-M979 PolarHBondContact O-N 3.48Å; I975-L1045 HydrophobicContact CG2-CD2 4.05Å; I975-L1048 HydrophobicContact CD1-CD1 3.88Å; I975-L1048 HydrophobicContact CG1-CD1 4.17Å; I975-M1062 HydrophobicContact CD1-SD 3.57Å; I975-M1062 VanDerWaalsContact CD1-SD 3.57Å; I975-M1062 HydrophobicContact CG2-SD 4.22Å
976	Q	80.4	Confident	80	Confident	94 Å²	94	58.2 Å²	58.2	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-41.5	179.8	-168.3	175.2	0.9	0	0	111.5	F971 P972 A973 M979 V980	F971-Q976 HydrophobicContact CB-CB 3.91Å; F971-Q976 HydrophobicContact CB-CG 4.49Å; P972-Q976 PolarHBondContact O-N 2.92Å; A973-Q976 PolarHBondContact O-N 2.73Å; Q976-M979 PolarHBondContact O-N 2.81Å; Q976-V980 WeakPolarHBondContact O-CG2 3.48Å; Q976-V980 PolarHBondContact O-N 2.6Å
977	E	83.3	Confident	80.6	Confident	128 Å²	128	60.6 Å²	60.6	60%	0.598	32%	0.316	S	S	*	.	H	α-helix	trans	-60.5	-44.9	174.1	-168.9	-177.9	170.4	0	0	111.7	A973 I975 M979 V980 R981	A973-E977 PolarHBondContact O-N 2.91Å; I975-E977 VanDerWaalsContact C-N 3.3Å; I975-E977 PolarHBondContact O-N 2.97Å; E977-M979 VanDerWaalsContact C-N 3.35Å; E977-M979 PolarHBondContact O-N 3.15Å; E977-V980 PolarHBondContact O-N 2.8Å; E977-R981 WeakPolarHBondContact O-CB 3.41Å; E977-R981 PolarHBondContact O-N 3.16Å
978	H	84.8	Confident	81.4	Confident	54 Å²	54	63.9 Å²	63.9	25%	0.25	33%	0.326	C	S	.	.	H	α-helix	trans	-63.7	-38.5	175.7	-68.8	100.2	0	0	0	112.3	S974 I975 R981 L982 V1042 L1045	S974-H978 PolarHBondContact O-ND1 2.74Å; I975-H978 CarbonylContact O-C 3.59Å; I975-H978 WeakPolarHBondContact O-CB 3.14Å; I975-H978 PolarHBondContact O-N 2.99Å; I975-H978 VanDerWaalsContact O-N 3.11Å; H978-R981 PolarHBondContact O-N 3.34Å; H978-L982 WeakPolarHBondContact O-CB 3.37Å; H978-L982 PolarHBondContact O-N 3.41Å; H978-V1042 HydrophobicContact CB-CG1 4.29Å; H978-L1045 HydrophobicContact CB-CD1 3.82Å; H978-L1045 HydrophobicContact CB-CD2 3.96Å; H978-L1045 HydrophobicContact CB-CG 3.8Å
979	M	85.2	Confident	82.6	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-69.7	-36.4	177.5	-72.2	-63.8	-65	0	0	112.6	F971 I975 Q976 E977 L982 Y983 L1007 L1012 L1045	F971-M979 HydrophobicContact CD1-CG 3.98Å; F971-M979 HydrophobicContact CD2-CB 4.24Å; F971-M979 HydrophobicContact CD2-CG 3.94Å; F971-M979 HydrophobicContact CE1-CE 4.13Å; F971-M979 HydrophobicContact CE1-CG 3.69Å; F971-M979 HydrophobicContact CE1-SD 4.06Å; F971-M979 HydrophobicContact CE2-CB 4.1Å; F971-M979 HydrophobicContact CE2-CE 3.78Å; F971-M979 HydrophobicContact CE2-CG 3.69Å; F971-M979 HydrophobicContact CE2-SD 4.41Å; F971-M979 HydrophobicContact CG-CG 4.1Å; F971-M979 HydrophobicContact CZ-CB 4.43Å; F971-M979 HydrophobicContact CZ-CE 3.32Å; F971-M979 HydrophobicContact CZ-CG 3.56Å; F971-M979 HydrophobicContact CZ-SD 3.82Å; I975-M979 HydrophobicContact CG2-CG 4.03Å; I975-M979 WeakPolarHBondContact O-CG 3.26Å; I975-M979 PolarHBondContact O-N 3.48Å; Q976-M979 PolarHBondContact O-N 2.81Å; E977-M979 VanDerWaalsContact C-N 3.35Å; E977-M979 PolarHBondContact O-N 3.15Å; M979-L982 HydrophobicContact CE-CD2 4.23Å; M979-L982 PolarHBondContact O-N 3.38Å; M979-L982 HydrophobicContact SD-CD2 3.96Å; M979-Y983 WeakPolarHBondContact O-CB 3.38Å; M979-Y983 PolarHBondContact O-N 3.15Å; M979-L1007 HydrophobicContact CB-CD1 4.22Å; M979-L1007 HydrophobicContact CE-CD1 4.28Å; M979-L1012 HydrophobicContact CE-CB 3.72Å; M979-L1045 HydrophobicContact CG-CD2 4.23Å; M979-L1045 HydrophobicContact SD-CD1 4.34Å; M979-L1045 HydrophobicContact SD-CD2 3.84Å
980	V	85.6	Confident	83.8	Confident	55 Å²	55	60.9 Å²	60.9	33%	0.333	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-43.6	171.2	170.5	0	0	0	0	110.2	Q976 E977 Y983 Q984 L1007	Q976-V980 WeakPolarHBondContact O-CG2 3.48Å; Q976-V980 PolarHBondContact O-N 2.6Å; E977-V980 PolarHBondContact O-N 2.8Å; V980-Y983 WeakPolarHBondContact O-CB 3.39Å; V980-Y983 PolarHBondContact O-N 3.35Å; V980-Q984 WeakPolarHBondContact O-CG 3.43Å; V980-Q984 PolarHBondContact O-N 2.82Å; V980-L1007 HydrophobicContact CG2-CD2 3.89Å
981	R	87.7	Confident	84.7	Confident	133 Å²	133	61.1 Å²	61.1	50%	0.502	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-42.3	174.3	-174	179.7	-73.4	-174.5	0.4	111.7	E977 H978 Q984 R985 V1042	E977-R981 WeakPolarHBondContact O-CB 3.41Å; E977-R981 PolarHBondContact O-N 3.16Å; H978-R981 PolarHBondContact O-N 3.34Å; R981-Q984 PolarHBondContact O-N 3.24Å; R981-R985 WeakPolarHBondContact O-CG 3.45Å; R981-R985 PolarHBondContact O-N 2.98Å; R981-V1042 HydrophobicContact CB-CG1 4.42Å; R981-V1042 HydrophobicContact CG-CG1 4.39Å
982	L	90.3	Very high	85.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-49.3	175	177.3	67.6	0	0	0	110.8	H978 M979 Q984 R985 V986 L1012 I1038 V1039 V1042 L1045 V1060	H978-L982 WeakPolarHBondContact O-CB 3.37Å; H978-L982 PolarHBondContact O-N 3.41Å; M979-L982 HydrophobicContact CE-CD2 4.23Å; M979-L982 PolarHBondContact O-N 3.38Å; M979-L982 HydrophobicContact SD-CD2 3.96Å; L982-Q984 VanDerWaalsContact C-N 3.31Å; L982-Q984 PolarHBondContact O-N 3.41Å; L982-R985 PolarHBondContact O-N 2.91Å; L982-V986 HydrophobicContact CD1-CG2 4.11Å; L982-V986 HydrophobicContact CG-CG2 4.35Å; L982-V986 WeakPolarHBondContact O-CB 3.47Å; L982-V986 VanDerWaalsContact O-CG2 3.3Å; L982-V986 WeakPolarHBondContact O-CG2 3.41Å; L982-V986 PolarHBondContact O-N 3.11Å; L982-L1012 HydrophobicContact CD2-CD2 3.62Å; L982-L1012 HydrophobicContact CG-CD2 3.62Å; L982-I1038 HydrophobicContact CD1-CG2 3.79Å; L982-V1039 HydrophobicContact CD1-CB 4.35Å; L982-V1039 HydrophobicContact CD1-CG2 3.72Å; L982-V1039 HydrophobicContact CD2-CG2 4.07Å; L982-V1042 HydrophobicContact CD1-CG2 4.23Å; L982-L1045 HydrophobicContact CB-CD1 4.02Å; L982-L1045 HydrophobicContact CD2-CD1 4.18Å; L982-V1060 HydrophobicContact CD2-CB 4.34Å; L982-V1060 HydrophobicContact CD2-CG1 3.87Å; L982-V1060 HydrophobicContact CD2-CG2 4.48Å
983	Y	90.4	Very high	85.5	Confident	49 Å²	49	65.9 Å²	65.9	19%	0.192	33%	0.333	C	S	.	.	H	α-helix	trans	-57	-43.8	176.4	170	-108.8	0	0	0	112.4	M979 V980 R987 I1005 L1007 L1012	M979-Y983 WeakPolarHBondContact O-CB 3.38Å; M979-Y983 PolarHBondContact O-N 3.15Å; V980-Y983 WeakPolarHBondContact O-CB 3.39Å; V980-Y983 PolarHBondContact O-N 3.35Å; Y983-R987 HydrophobicContact CD2-CG 4.48Å; Y983-R987 HydrophobicContact CE2-CG 4.13Å; Y983-R987 WeakPolarHBondContact O-CB 3.43Å; Y983-R987 WeakPolarHBondContact O-CG 3.38Å; Y983-R987 PolarHBondContact O-N 3.1Å; Y983-R987 PolarHBondContact OH-NE 3Å; Y983-R987 PolarHBondContact OH-NH1 3.43Å; Y983-R987 VanDerWaalsContact OH-NH1 3.08Å; Y983-I1005 HydrophobicContact CD2-CG2 3.85Å; Y983-I1005 HydrophobicContact CE2-CG2 3.86Å; Y983-L1007 HydrophobicContact CD1-CB 4.33Å; Y983-L1007 HydrophobicContact CD1-CD2 4.23Å; Y983-L1007 HydrophobicContact CD2-CB 3.62Å; Y983-L1007 HydrophobicContact CE2-CB 4.02Å; Y983-L1007 HydrophobicContact CG-CB 3.76Å; Y983-L1007 HydrophobicContact CG-CD2 4.06Å; Y983-L1007 HydrophobicContact CG-CG 4.43Å; Y983-L1012 HydrophobicContact CD2-CD1 3.69Å; Y983-L1012 HydrophobicContact CG-CD1 4.47Å
984	Q	90.2	Very high	85.6	Confident	103 Å²	103	64.5 Å²	64.5	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-61.6	-49.1	175.7	-74.3	171.6	-11	0	0	111.3	V980 R981 L982 V986 R987 E988	V980-Q984 WeakPolarHBondContact O-CG 3.43Å; V980-Q984 PolarHBondContact O-N 2.82Å; R981-Q984 PolarHBondContact O-N 3.24Å; L982-Q984 VanDerWaalsContact C-N 3.31Å; L982-Q984 PolarHBondContact O-N 3.41Å; Q984-V986 PolarHBondContact O-N 3.24Å; Q984-R987 WeakPolarHBondContact O-CB 3.48Å; Q984-R987 PolarHBondContact O-N 3.17Å; Q984-R987 VanDerWaalsContact O-N 3.16Å; Q984-E988 WeakPolarHBondContact O-CG 3.49Å; Q984-E988 PolarHBondContact O-N 3.05Å
985	R	92.8	Very high	86.1	Confident	84 Å²	84	61.8 Å²	61.8	32%	0.317	31%	0.306	S	S	.	.	H	α-helix	trans	-63.5	-41.2	178.7	-73.5	-165.3	69.8	-170.7	-4	113.3	R981 L982 R987 E988 A989 I1038 D1041	R981-R985 WeakPolarHBondContact O-CG 3.45Å; R981-R985 PolarHBondContact O-N 2.98Å; L982-R985 PolarHBondContact O-N 2.91Å; R985-R987 VanDerWaalsContact C-N 3.29Å; R985-R987 PolarHBondContact O-N 3.18Å; R985-E988 PolarHBondContact O-N 2.86Å; R985-A989 WeakPolarHBondContact O-CB 3.33Å; R985-A989 PolarHBondContact O-N 3.16Å; R985-I1038 HydrophobicContact CB-CG2 3.64Å; R985-D1041 IonicContact CZ-OD2 3.22Å; R985-D1041 IonicContact NH1-OD2 2.68Å; R985-D1041 PolarHBondContact NH1-OD2 3.1Å; R985-D1041 IonicContact NH2-OD2 3.04Å; R985-D1041 PolarHBondContact NH2-OD2 2.9Å
986	V	92.8	Very high	86.2	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-36.9	175.9	175	0	0	0	0	110.5	L982 Q984 A990 I1005 L1012 V1014 W1031 V1035 I1038	L982-V986 HydrophobicContact CD1-CG2 4.11Å; L982-V986 HydrophobicContact CG-CG2 4.35Å; L982-V986 WeakPolarHBondContact O-CB 3.47Å; L982-V986 VanDerWaalsContact O-CG2 3.3Å; L982-V986 WeakPolarHBondContact O-CG2 3.41Å; L982-V986 PolarHBondContact O-N 3.11Å; Q984-V986 PolarHBondContact O-N 3.24Å; V986-A990 VanDerWaalsContact O-CB 3.32Å; V986-A990 WeakPolarHBondContact O-CB 3.43Å; V986-A990 PolarHBondContact O-N 3.22Å; V986-I1005 HydrophobicContact CG1-CD1 4Å; V986-I1005 HydrophobicContact CG1-CG1 4.48Å; V986-I1005 HydrophobicContact CG1-CG2 4.12Å; V986-L1012 HydrophobicContact CB-CD2 4.48Å; V986-L1012 HydrophobicContact CG2-CD2 4.08Å; V986-V1014 HydrophobicContact CG1-CB 4.48Å; V986-V1014 HydrophobicContact CG1-CG1 3.79Å; V986-V1014 HydrophobicContact CG1-CG2 3.82Å; V986-W1031 HydrophobicContact CG1-CH2 4.23Å; V986-W1031 HydrophobicContact CG1-CZ2 4.14Å; V986-V1035 HydrophobicContact CG1-CG2 4.41Å; V986-V1035 HydrophobicContact CG2-CG1 4.47Å; V986-I1038 HydrophobicContact CG2-CD1 4.43Å; V986-I1038 HydrophobicContact CG2-CG2 3.95Å
987	R	89.9	Confident	86.3	Confident	114 Å²	114	58.2 Å²	58.2	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-67.3	-41.4	173	-85	-164.9	140.9	-175.5	-1.3	113.2	Y983 Q984 R985 A990 N991 I1005	Y983-R987 HydrophobicContact CD2-CG 4.48Å; Y983-R987 HydrophobicContact CE2-CG 4.13Å; Y983-R987 WeakPolarHBondContact O-CB 3.43Å; Y983-R987 WeakPolarHBondContact O-CG 3.38Å; Y983-R987 PolarHBondContact O-N 3.1Å; Y983-R987 PolarHBondContact OH-NE 3Å; Y983-R987 PolarHBondContact OH-NH1 3.43Å; Y983-R987 VanDerWaalsContact OH-NH1 3.08Å; Q984-R987 WeakPolarHBondContact O-CB 3.48Å; Q984-R987 PolarHBondContact O-N 3.17Å; Q984-R987 VanDerWaalsContact O-N 3.16Å; R985-R987 VanDerWaalsContact C-N 3.29Å; R985-R987 PolarHBondContact O-N 3.18Å; R987-A990 PolarHBondContact O-N 3.46Å; R987-N991 PolarHBondContact O-N 3.01Å; R987-N991 VanDerWaalsContact O-N 3.07Å; R987-N991 PolarHBondContact O-ND2 2.61Å; R987-I1005 HydrophobicContact CG-CB 4.43Å; R987-I1005 HydrophobicContact CG-CD1 4.14Å; R987-I1005 HydrophobicContact CG-CG2 4.32Å
988	E	89.7	Confident	86.4	Confident	117 Å²	117	52.1 Å²	52.1	55%	0.547	26%	0.261	S	S	.	.	H	α-helix	trans	-59.3	-49.1	174	-73.8	166.1	-175.8	0	0	110.2	Q984 R985 A990 N991 D992	Q984-E988 WeakPolarHBondContact O-CG 3.49Å; Q984-E988 PolarHBondContact O-N 3.05Å; R985-E988 PolarHBondContact O-N 2.86Å; E988-A990 VanDerWaalsContact C-N 3.28Å; E988-A990 PolarHBondContact O-N 2.91Å; E988-N991 WeakPolarHBondContact O-CA 3.31Å; E988-N991 WeakPolarHBondContact O-CB 3.39Å; E988-N991 PolarHBondContact O-N 3.06Å; E988-D992 PolarHBondContact O-N 2.95Å
989	A	91.2	Very high	86.2	Confident	5 Å²	5	51.2 Å²	51.2	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-32.5	176.2	0	0	0	0	0	113.5	R985 N991 D992 N995 W1031 I1038	R985-A989 WeakPolarHBondContact O-CB 3.33Å; R985-A989 PolarHBondContact O-N 3.16Å; A989-N991 PolarHBondContact O-N 2.77Å; A989-D992 WeakPolarHBondContact O-CB 3.41Å; A989-D992 PolarHBondContact O-N 2.88Å; A989-N995 VanDerWaalsContact O-CB 3.3Å; A989-N995 WeakPolarHBondContact O-CB 3.21Å; A989-N995 PolarHBondContact O-ND2 3.28Å; A989-W1031 HydrophobicContact CB-CH2 4.39Å; A989-W1031 HydrophobicContact CB-CZ3 4.21Å; A989-I1038 HydrophobicContact CB-CD1 3.48Å; A989-I1038 VanDerWaalsContact CB-CD1 3.48Å
990	A	89	Confident	85.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-74.1	-14.2	172.6	0	0	0	0	0	113	V986 R987 E988 N995 E996 N999 I1005 W1031	V986-A990 VanDerWaalsContact O-CB 3.32Å; V986-A990 WeakPolarHBondContact O-CB 3.43Å; V986-A990 PolarHBondContact O-N 3.22Å; R987-A990 PolarHBondContact O-N 3.46Å; E988-A990 VanDerWaalsContact C-N 3.28Å; E988-A990 PolarHBondContact O-N 2.91Å; A990-N995 CarbonylContact O-C 3.58Å; A990-E996 WeakPolarHBondContact O-CA 3.39Å; A990-E996 PolarHBondContact O-N 3.42Å; A990-N999 VanDerWaalsContact C-ND2 3.32Å; A990-N999 WeakPolarHBondContact CB-ND2 3.42Å; A990-N999 PolarHBondContact O-ND2 3.23Å; A990-I1005 HydrophobicContact CB-CD1 3.43Å; A990-I1005 VanDerWaalsContact CB-CD1 3.43Å; A990-W1031 HydrophobicContact CB-CH2 3.72Å; A990-W1031 HydrophobicContact CB-CZ2 4.26Å; A990-W1031 HydrophobicContact CB-CZ3 4.49Å
991	N	83.8	Confident	85.3	Confident	99 Å²	99	48.9 Å²	48.9	53%	0.529	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-9.7	171.7	-62.7	-36.9	0	0	0	112.3	R987 E988 A989 N999	R987-N991 PolarHBondContact O-N 3.01Å; R987-N991 VanDerWaalsContact O-N 3.07Å; R987-N991 PolarHBondContact O-ND2 2.61Å; E988-N991 WeakPolarHBondContact O-CA 3.31Å; E988-N991 WeakPolarHBondContact O-CB 3.39Å; E988-N991 PolarHBondContact O-N 3.06Å; A989-N991 PolarHBondContact O-N 2.77Å; N991-N999 PolarHBondContact OD1-ND2 3.46Å; N991-N999 VanDerWaalsContact OD1-ND2 3.13Å
992	D	83.6	Confident	84.5	Confident	76 Å²	76	43.1 Å²	43.1	41%	0.406	23%	0.226	S	C	.	.	S	Bend	trans	-65.3	142.1	176.4	-68.3	-26.9	0	0	0	110.8	E988 A989 G994 N995	E988-D992 PolarHBondContact O-N 2.95Å; A989-D992 WeakPolarHBondContact O-CB 3.41Å; A989-D992 PolarHBondContact O-N 2.88Å; D992-G994 PolarHBondContact O-N 2.95Å; D992-N995 PolarHBondContact O-N 3.3Å
993	P	75.6	Confident	83.4	Confident	95 Å²	95	44.1 Å²	44.1	62%	0.617	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	120.2	174.4	-29.4	36.8	0	0	0	112.8	A810 N812	A810-P993 HydrophobicContact CB-CG 4.43Å; N812-P993 WeakPolarHBondContact ND2-CB 3.44Å
994	G	77.7	Confident	82.7	Confident	52 Å²	52	42.2 Å²	42.2	54%	0.536	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.2	-16.6	-177.6	0	0	0	0	0	114.6	D992 E996	D992-G994 PolarHBondContact O-N 2.95Å; G994-E996 PolarHBondContact N-OE2 2.58Å
995	N	86.1	Confident	82.4	Confident	22 Å²	22	37.7 Å²	37.7	12%	0.118	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-3.3	179.1	-62.8	-27.8	0	0	0	113	A989 A990 D992 I997 F998 W1031	A989-N995 VanDerWaalsContact O-CB 3.3Å; A989-N995 WeakPolarHBondContact O-CB 3.21Å; A989-N995 PolarHBondContact O-ND2 3.28Å; A990-N995 CarbonylContact O-C 3.58Å; D992-N995 PolarHBondContact O-N 3.3Å; N995-I997 PolarHBondContact O-N 3.11Å; N995-F998 HydrophobicContact CB-CD2 4.14Å; N995-F998 WeakPolarHBondContact O-CB 3.45Å; N995-F998 VanDerWaalsContact O-CD2 3.28Å; N995-F998 WeakPolarHBondContact O-CD2 3.47Å; N995-F998 PolarHBondContact O-N 3.02Å; N995-W1031 HydrophobicContact CB-CE3 4.09Å; N995-W1031 HydrophobicContact CB-CZ3 3.94Å
996	E	81	Confident	81.6	Confident	14 Å²	14	34.8 Å²	34.8	7%	0.065	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-61.5	-24.1	-172	-56.7	104.3	122.7	0	0	113.6	T808 N812 L814 A990 G994 F998 N999	T808-E996 HydrophobicContact CG2-CB 3.99Å; T808-E996 HydrophobicContact CG2-CG 4.16Å; T808-E996 PolarHBondContact OG1-OE1 3.39Å; N812-E996 PolarHBondContact ND2-OE1 3.35Å; L814-E996 HydrophobicContact CD1-CB 3.99Å; A990-E996 WeakPolarHBondContact O-CA 3.39Å; A990-E996 PolarHBondContact O-N 3.42Å; G994-E996 PolarHBondContact N-OE2 2.58Å; E996-F998 PolarHBondContact O-N 3.34Å; E996-N999 WeakPolarHBondContact O-CB 3.24Å; E996-N999 PolarHBondContact O-N 2.81Å; E996-N999 VanDerWaalsContact O-N 3.13Å
997	I	81.6	Confident	81	Confident	21 Å²	21	36.8 Å²	36.8	11%	0.108	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-61	-32.1	175.9	-165.4	57.9	0	0	0	112.4	L814 N995 N999 I1000 I1001 I1023	L814-I997 HydrophobicContact CD2-CB 4.13Å; L814-I997 HydrophobicContact CD2-CD1 4.4Å; N995-I997 PolarHBondContact O-N 3.11Å; I997-N999 PolarHBondContact O-N 3.42Å; I997-I1000 PolarHBondContact O-N 3.28Å; I997-I1001 HydrophobicContact CD1-CG2 3.91Å; I997-I1001 HydrophobicContact CG1-CG2 3.8Å; I997-I1001 WeakPolarHBondContact O-CG1 3.49Å; I997-I1001 PolarHBondContact O-N 3.01Å; I997-I1023 HydrophobicContact CG1-CD1 3.6Å; I997-I1023 HydrophobicContact CG2-CD1 4.28Å
998	F	86	Confident	80	Confident	1 Å²	1	32.6 Å²	32.6	0%	0.004	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-73.2	-10.7	178.9	-57.2	-69.6	0	0	0	113.1	N995 E996 I1000 I1001 P1015 I1023 W1031	N995-F998 HydrophobicContact CB-CD2 4.14Å; N995-F998 WeakPolarHBondContact O-CB 3.45Å; N995-F998 VanDerWaalsContact O-CD2 3.28Å; N995-F998 WeakPolarHBondContact O-CD2 3.47Å; N995-F998 PolarHBondContact O-N 3.02Å; E996-F998 PolarHBondContact O-N 3.34Å; F998-I1000 VanDerWaalsContact C-N 3.29Å; F998-I1001 HydrophobicContact CD1-CD1 3.93Å; F998-I1001 HydrophobicContact CD1-CG1 4.33Å; F998-I1001 HydrophobicContact CE1-CD1 4.29Å; F998-P1015 HydrophobicContact CB-CG 4.49Å; F998-P1015 WeakPolarHBondContact CD1-O 3.49Å; F998-P1015 WeakPolarHBondContact O-CG 3.32Å; F998-I1023 HydrophobicContact CE1-CG2 4.22Å; F998-I1023 HydrophobicContact CZ-CG2 4.1Å; F998-W1031 HydrophobicContact CB-CD2 4.28Å; F998-W1031 HydrophobicContact CB-CZ2 3.9Å; F998-W1031 AromaticContact CD1-CD1 3.4Å; F998-W1031 VanDerWaalsContact CD1-CD1 3.4Å; F998-W1031 HydrophobicContact CD1-CD2 4.36Å; F998-W1031 AromaticContact CD1-CG 3.89Å; F998-W1031 HydrophobicContact CD1-CG 3.89Å; F998-W1031 AromaticContact CD1-NE1 3.57Å; F998-W1031 HydrophobicContact CD2-CB 4.08Å; F998-W1031 AromaticContact CD2-CD1 3.9Å; F998-W1031 AromaticContact CD2-CD2 3.5Å; F998-W1031 HydrophobicContact CD2-CD2 3.5Å; F998-W1031 VanDerWaalsContact CD2-CD2 3.5Å; F998-W1031 AromaticContact CD2-CE2 3.86Å; F998-W1031 AromaticContact CD2-CE3 3.9Å; F998-W1031 HydrophobicContact CD2-CE3 3.9Å; F998-W1031 AromaticContact CD2-CG 3.57Å; F998-W1031 HydrophobicContact CD2-CG 3.57Å; F998-W1031 HydrophobicContact CE1-CB 4.04Å; F998-W1031 AromaticContact CE1-CD1 3.54Å; F998-W1031 AromaticContact CE1-CG 3.83Å; F998-W1031 HydrophobicContact CE1-CG 3.83Å; F998-W1031 HydrophobicContact CE2-CB 3.49Å; F998-W1031 VanDerWaalsContact CE2-CB 3.49Å; F998-W1031 AromaticContact CE2-CD2 3.89Å; F998-W1031 HydrophobicContact CE2-CD2 3.89Å; F998-W1031 HydrophobicContact CE2-CE3 4.31Å; F998-W1031 AromaticContact CE2-CG 3.52Å; F998-W1031 HydrophobicContact CE2-CG 3.52Å; F998-W1031 AromaticContact CG-CD1 3.62Å; F998-W1031 AromaticContact CG-CD2 3.79Å; F998-W1031 HydrophobicContact CG-CD2 3.79Å; F998-W1031 AromaticContact CG-CE2 3.66Å; F998-W1031 AromaticContact CG-CG 3.78Å; F998-W1031 HydrophobicContact CG-CG 3.78Å; F998-W1031 HydrophobicContact CG-CZ2 4.32Å; F998-W1031 AromaticContact CG-NE1 3.49Å; F998-W1031 HydrophobicContact CZ-CB 3.48Å; F998-W1031 VanDerWaalsContact CZ-CB 3.48Å; F998-W1031 AromaticContact CZ-CD1 3.87Å; F998-W1031 HydrophobicContact CZ-CD2 4.46Å; F998-W1031 AromaticContact CZ-CG 3.66Å; F998-W1031 HydrophobicContact CZ-CG 3.66Å
999	N	79.8	Confident	78.8	Confident	35 Å²	35	30 Å²	30	19%	0.187	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-77.3	-17.3	166.3	-85.7	-51.7	0	0	0	112.8	A990 N991 E996 I997	A990-N999 VanDerWaalsContact C-ND2 3.32Å; A990-N999 WeakPolarHBondContact CB-ND2 3.42Å; A990-N999 PolarHBondContact O-ND2 3.23Å; N991-N999 PolarHBondContact OD1-ND2 3.46Å; N991-N999 VanDerWaalsContact OD1-ND2 3.13Å; E996-N999 WeakPolarHBondContact O-CB 3.24Å; E996-N999 PolarHBondContact O-N 2.81Å; E996-N999 VanDerWaalsContact O-N 3.13Å; I997-N999 PolarHBondContact O-N 3.42Å
1000	I	74.1	Confident	77.7	Confident	2 Å²	2	31 Å²	31	1%	0.01	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-40.7	-165.9	-59.1	162.7	0	0	0	111.9	L750 L814 I816 T896 I997 F998	L750-I1000 HydrophobicContact CD1-CD1 3.52Å; L750-I1000 HydrophobicContact CD1-CG1 4.08Å; L750-I1000 HydrophobicContact CD2-CD1 3.93Å; L750-I1000 HydrophobicContact CD2-CG1 4.37Å; L750-I1000 HydrophobicContact CG-CD1 4.4Å; L814-I1000 HydrophobicContact CD1-CD1 3.47Å; L814-I1000 VanDerWaalsContact CD1-CD1 3.47Å; I816-I1000 HydrophobicContact CD1-CD1 4.34Å; I816-I1000 HydrophobicContact CD1-CG2 4.17Å; I816-I1000 HydrophobicContact CG1-CG2 4.47Å; T896-I1000 HydrophobicContact CG2-CG2 3.79Å; I997-I1000 PolarHBondContact O-N 3.28Å; F998-I1000 VanDerWaalsContact C-N 3.29Å
1001	I	78.9	Confident	77.3	Confident	5 Å²	5	31 Å²	31	3%	0.026	19%	0.194	C	C	.	.	S	Bend	trans	-71.3	152.1	-175.2	57.5	146.6	0	0	0	112.8	S895 I997 F998 G1003 G1004 P1015 D1018 I1023	S895-I1001 WeakPolarHBondContact O-CA 3.47Å; I997-I1001 HydrophobicContact CD1-CG2 3.91Å; I997-I1001 HydrophobicContact CG1-CG2 3.8Å; I997-I1001 WeakPolarHBondContact O-CG1 3.49Å; I997-I1001 PolarHBondContact O-N 3.01Å; F998-I1001 HydrophobicContact CD1-CD1 3.93Å; F998-I1001 HydrophobicContact CD1-CG1 4.33Å; F998-I1001 HydrophobicContact CE1-CD1 4.29Å; I1001-G1003 PolarHBondContact O-N 3.4Å; I1001-G1004 PolarHBondContact O-N 3.21Å; I1001-G1004 VanDerWaalsContact O-N 3.1Å; I1001-P1015 HydrophobicContact CD1-CB 4.1Å; I1001-P1015 HydrophobicContact CG1-CB 4.01Å; I1001-P1015 HydrophobicContact CG1-CG 4.3Å; I1001-P1015 WeakPolarHBondContact O-CB 3.26Å; I1001-D1018 HydrophobicContact CB-CB 4.29Å; I1001-D1018 HydrophobicContact CG2-CB 4.34Å; I1001-I1023 HydrophobicContact CD1-CG1 4Å; I1001-I1023 HydrophobicContact CG2-CD1 4.27Å
1002	G	70.5	Confident	77.4	Confident	12 Å²	12	26.3 Å²	26.3	12%	0.124	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	56.7	-135.4	178.3	0	0	0	0	0	111.6	S895 T897 G1004	S895-G1002 PolarHBondContact O-N 3.48Å; T897-G1002 VanDerWaalsContact CB-O 3.28Å; T897-G1002 WeakPolarHBondContact CB-O 3.33Å; T897-G1002 VanDerWaalsContact CG2-O 3.24Å; T897-G1002 WeakPolarHBondContact CG2-O 3.28Å; T897-G1002 PolarHBondContact N-O 2.91Å; T897-G1002 PolarHBondContact OG1-O 3.03Å; G1002-G1004 VanDerWaalsContact C-N 3.25Å; G1002-G1004 PolarHBondContact O-N 3.13Å
1003	G	66.8	Low	77.4	Confident	20 Å²	20	24.5 Å²	24.5	21%	0.206	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-3.4	177.2	0	0	0	0	0	115.8	T897 I1001 C1006	T897-G1003 WeakPolarHBondContact OG1-CA 3.29Å; I1001-G1003 PolarHBondContact O-N 3.4Å; G1003-C1006 PolarHBondContact O-SG 2.9Å
1004	G	75.7	Confident	78	Confident	10 Å²	10	20 Å²	20	10%	0.103	13%	0.128	C	C	.	.			trans	62.3	-179.8	-162.1	0	0	0	0	0	112.2	I1001 G1002 C1006	I1001-G1004 PolarHBondContact O-N 3.21Å; I1001-G1004 VanDerWaalsContact O-N 3.1Å; G1002-G1004 VanDerWaalsContact C-N 3.25Å; G1002-G1004 PolarHBondContact O-N 3.13Å; G1004-C1006 PolarHBondContact O-N 3.43Å
1005	I	83.1	Confident	78.5	Confident	8 Å²	8	17.5 Å²	17.5	4%	0.041	10%	0.103	C	C	.	.	S	Bend	trans	-76.7	113.6	179.1	-56.1	166.3	0	0	0	109	Y983 V986 R987 A990 L1012 K1013 V1014	Y983-I1005 HydrophobicContact CD2-CG2 3.85Å; Y983-I1005 HydrophobicContact CE2-CG2 3.86Å; V986-I1005 HydrophobicContact CG1-CD1 4Å; V986-I1005 HydrophobicContact CG1-CG1 4.48Å; V986-I1005 HydrophobicContact CG1-CG2 4.12Å; R987-I1005 HydrophobicContact CG-CB 4.43Å; R987-I1005 HydrophobicContact CG-CD1 4.14Å; R987-I1005 HydrophobicContact CG-CG2 4.32Å; A990-I1005 HydrophobicContact CB-CD1 3.43Å; A990-I1005 VanDerWaalsContact CB-CD1 3.43Å; I1005-L1012 HydrophobicContact CG2-CD1 3.84Å; I1005-K1013 WeakPolarHBondContact CA-O 3.45Å; I1005-V1014 HydrophobicContact CG1-CG1 4.22Å
1006	C	77.5	Confident	78.6	Confident	22 Å²	22	16.8 Å²	16.8	15%	0.149	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.3	-174	-72.3	0	0	0	0	111.6	G1003 G1004 H1008 K1013	G1003-C1006 PolarHBondContact O-SG 2.9Å; G1004-C1006 PolarHBondContact O-N 3.43Å; C1006-H1008 VanDerWaalsContact CB-CE1 3.46Å; C1006-H1008 WeakPolarHBondContact CB-CE1 3.39Å; C1006-H1008 WeakPolarHBondContact CB-NE2 3.47Å; C1006-K1013 PolarHBondContact N-O 3.05Å; C1006-K1013 PolarHBondContact O-N 3.14Å
1007	L	78.6	Confident	78.9	Confident	43 Å²	43	16.5 Å²	16.5	23%	0.225	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	121.4	168	-178.5	64.7	0	0	0	109.7	M979 V980 Y983 L1012	M979-L1007 HydrophobicContact CB-CD1 4.22Å; M979-L1007 HydrophobicContact CE-CD1 4.28Å; V980-L1007 HydrophobicContact CG2-CD2 3.89Å; Y983-L1007 HydrophobicContact CD1-CB 4.33Å; Y983-L1007 HydrophobicContact CD1-CD2 4.23Å; Y983-L1007 HydrophobicContact CD2-CB 3.62Å; Y983-L1007 HydrophobicContact CE2-CB 4.02Å; Y983-L1007 HydrophobicContact CG-CB 3.76Å; Y983-L1007 HydrophobicContact CG-CD2 4.06Å; Y983-L1007 HydrophobicContact CG-CG 4.43Å; L1007-L1012 HydrophobicContact CB-CD1 4.35Å; L1007-L1012 HydrophobicContact CD1-CB 4.32Å
1008	H	69.6	Low	78.7	Confident	25 Å²	25	15.7 Å²	15.7	12%	0.116	9%	0.093	C	C	.	.			trans	-112.4	168	174.5	-54	-51.1	0	0	0	109.9	F950 C1006 H1010 C1011	F950-H1008 HydrophobicContact CE1-CB 4.31Å; F950-H1008 AromaticContact CE1-CD2 3.29Å; F950-H1008 WeakPolarHBondContact CE1-CD2 3.18Å; F950-H1008 AromaticContact CE1-CE1 3.64Å; F950-H1008 AromaticContact CE1-CG 3.55Å; F950-H1008 AromaticContact CE1-ND1 3.78Å; F950-H1008 AromaticContact CE1-NE2 3.33Å; F950-H1008 VanDerWaalsContact CE1-NE2 3.33Å; F950-H1008 WeakPolarHBondContact CE1-NE2 3.46Å; F950-H1008 HydrophobicContact CE2-CB 4.43Å; F950-H1008 HydrophobicContact CZ-CB 3.97Å; F950-H1008 AromaticContact CZ-CD2 3.51Å; F950-H1008 AromaticContact CZ-CE1 3.24Å; F950-H1008 WeakPolarHBondContact CZ-CE1 3.42Å; F950-H1008 AromaticContact CZ-CG 3.26Å; F950-H1008 AromaticContact CZ-ND1 3.12Å; F950-H1008 WeakPolarHBondContact CZ-ND1 3.48Å; F950-H1008 AromaticContact CZ-NE2 3.47Å; F950-H1008 WeakPolarHBondContact CZ-NE2 3.41Å; C1006-H1008 VanDerWaalsContact CB-CE1 3.46Å; C1006-H1008 WeakPolarHBondContact CB-CE1 3.39Å; C1006-H1008 WeakPolarHBondContact CB-NE2 3.47Å; H1008-H1010 PolarHBondContact O-N 3.3Å; H1008-C1011 WeakPolarHBondContact CA-O 3.43Å; H1008-C1011 WeakPolarHBondContact CB-O 3.44Å; H1008-C1011 PolarHBondContact N-O 2.88Å
1009	T	64.5	Low	78.1	Confident	63 Å²	63	18.1 Å²	18.1	39%	0.387	11%	0.11	S	C	.	.	S	Bend	trans	-60.2	-16.8	-175.6	48.6	0	0	0	0	115	L968 F971	L968-T1009 WeakPolarHBondContact CB-OG1 3.47Å; L968-T1009 VanDerWaalsContact CD1-OG1 3.22Å; L968-T1009 WeakPolarHBondContact CD1-OG1 3.48Å; F971-T1009 WeakPolarHBondContact CD2-O 3.43Å; F971-T1009 WeakPolarHBondContact CE2-O 3.42Å; F971-T1009 PolarHBondContact N-O 3.06Å; F971-T1009 VanDerWaalsContact N-O 3.14Å
1010	H	68.1	Low	77.9	Confident	25 Å²	25	22 Å²	22	12%	0.116	12%	0.123	C	C	.	.	S	Bend	trans	-137.1	-8.5	-173.4	66.2	-72.9	0	0	0	114.1	L968 P969 F971 H1008	L968-H1010 WeakPolarHBondContact CD2-CE1 3.26Å; L968-H1010 WeakPolarHBondContact CD2-ND1 3.44Å; P969-H1010 HydrophobicContact CG-CB 4.18Å; P969-H1010 VanDerWaalsContact O-CB 3.27Å; P969-H1010 WeakPolarHBondContact O-CB 3.43Å; F971-H1010 VanDerWaalsContact CE2-CA 3.41Å; F971-H1010 WeakPolarHBondContact CZ-O 3.19Å; H1008-H1010 PolarHBondContact O-N 3.3Å
1011	C	80.5	Confident	78.1	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	156.5	178.6	66.5	0	0	0	0	112.5	H1008 I1059 V1060 Q1061	H1008-C1011 WeakPolarHBondContact CA-O 3.43Å; H1008-C1011 WeakPolarHBondContact CB-O 3.44Å; H1008-C1011 PolarHBondContact N-O 2.88Å; C1011-I1059 HydrophobicContact CB-CG2 4.3Å; C1011-V1060 CarbonylContact C-O 3.58Å; C1011-V1060 WeakPolarHBondContact CA-O 3.34Å; C1011-V1060 VanDerWaalsContact CB-O 3.28Å; C1011-V1060 WeakPolarHBondContact CB-O 3.43Å; C1011-Q1061 HydrophobicContact CB-CB 3.79Å
1012	L	85.4	Confident	78	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.8	165.8	171.1	66	0	0	0	108.2	M979 L982 Y983 V986 I1005 L1007 V1014 V1060	M979-L1012 HydrophobicContact CE-CB 3.72Å; L982-L1012 HydrophobicContact CD2-CD2 3.62Å; L982-L1012 HydrophobicContact CG-CD2 3.62Å; Y983-L1012 HydrophobicContact CD2-CD1 3.69Å; Y983-L1012 HydrophobicContact CG-CD1 4.47Å; V986-L1012 HydrophobicContact CB-CD2 4.48Å; V986-L1012 HydrophobicContact CG2-CD2 4.08Å; I1005-L1012 HydrophobicContact CG2-CD1 3.84Å; L1007-L1012 HydrophobicContact CB-CD1 4.35Å; L1007-L1012 HydrophobicContact CD1-CB 4.32Å; L1012-V1014 HydrophobicContact CD1-CG2 4.44Å; L1012-V1014 HydrophobicContact CD2-CG2 4.11Å; L1012-V1014 HydrophobicContact CG-CG2 3.87Å; L1012-V1060 HydrophobicContact CB-CB 4.23Å; L1012-V1060 PolarHBondContact N-O 2.92Å; L1012-V1060 PolarHBondContact O-N 3.04Å
1013	K	84.5	Confident	78.6	Confident	39 Å²	39	29.2 Å²	29.2	17%	0.17	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.5	172.7	-67.9	-174.4	178.1	178.3	0	109.2	A926 I1005 C1006 I1059	A926-K1013 PolarHBondContact O-NZ 2.96Å; I1005-K1013 WeakPolarHBondContact CA-O 3.45Å; C1006-K1013 PolarHBondContact N-O 3.05Å; C1006-K1013 PolarHBondContact O-N 3.14Å; K1013-I1059 HydrophobicContact CG-CG1 4.36Å
1014	V	89.2	Confident	79.4	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.1	178.3	-170.3	0	0	0	0	107.3	V986 I1005 L1012 W1031 V1035 H1057 I1058	V986-V1014 HydrophobicContact CG1-CB 4.48Å; V986-V1014 HydrophobicContact CG1-CG1 3.79Å; V986-V1014 HydrophobicContact CG1-CG2 3.82Å; I1005-V1014 HydrophobicContact CG1-CG1 4.22Å; L1012-V1014 HydrophobicContact CD1-CG2 4.44Å; L1012-V1014 HydrophobicContact CD2-CG2 4.11Å; L1012-V1014 HydrophobicContact CG-CG2 3.87Å; V1014-W1031 HydrophobicContact CG1-CZ2 3.5Å; V1014-V1035 HydrophobicContact CG1-CG2 4.05Å; V1014-V1035 HydrophobicContact CG2-CG1 4.22Å; V1014-H1057 CarbonylContact O-C 3.6Å; V1014-H1057 WeakPolarHBondContact O-CA 3.32Å; V1014-I1058 HydrophobicContact CB-CB 4.11Å; V1014-I1058 HydrophobicContact CB-CD1 4.44Å; V1014-I1058 HydrophobicContact CB-CG1 4.49Å; V1014-I1058 HydrophobicContact CG1-CD1 4.45Å; V1014-I1058 PolarHBondContact N-O 3.24Å; V1014-I1058 PolarHBondContact O-N 3.12Å
1015	P	87.6	Confident	80	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	146.2	178.8	32.4	-35.4	0	0	0	109.8	F998 I1001 W1031	F998-P1015 HydrophobicContact CB-CG 4.49Å; F998-P1015 WeakPolarHBondContact CD1-O 3.49Å; F998-P1015 WeakPolarHBondContact O-CG 3.32Å; I1001-P1015 HydrophobicContact CD1-CB 4.1Å; I1001-P1015 HydrophobicContact CG1-CB 4.01Å; I1001-P1015 HydrophobicContact CG1-CG 4.3Å; I1001-P1015 WeakPolarHBondContact O-CB 3.26Å; P1015-W1031 PolarHBondContact O-NE1 3.01Å
1016	Q	88.7	Confident	80.2	Confident	7 Å²	7	40.3 Å²	40.3	3%	0.033	23%	0.229	C	C	.	.			trans	-128.3	-30.2	179.6	-179.8	-179.2	-1.6	0	0	111.2	A1028 D1053 T1056 I1058	Q1016-A1028 HydrophobicContact CG-CB 4.1Å; Q1016-D1053 PolarHBondContact NE2-OD2 2.83Å; Q1016-D1053 PolarHBondContact OE1-OD1 2.9Å; Q1016-D1053 VanDerWaalsContact OE1-OD1 3.07Å; Q1016-D1053 PolarHBondContact OE1-OD2 2.79Å; Q1016-T1056 PolarHBondContact N-O 3.48Å; Q1016-I1058 HydrophobicContact CB-CD1 4.45Å; Q1016-I1058 HydrophobicContact CB-CG1 3.97Å; Q1016-I1058 HydrophobicContact CG-CG1 4.46Å
1017	Q	85.9	Confident	80.7	Confident	7 Å²	7	43.2 Å²	43.2	3%	0.033	24%	0.241	C	C	.	.			trans	-148.2	149.7	179.3	-169.5	54.8	-92.8	0	0	110.4	S1021 S1022 I1023 G1055 T1056	Q1017-S1021 VanDerWaalsContact OE1-C 3.29Å; Q1017-S1022 VanDerWaalsContact OE1-N 3.14Å; Q1017-I1023 PolarHBondContact NE2-O 3.48Å; Q1017-I1023 VanDerWaalsContact OE1-CB 3.26Å; Q1017-G1055 WeakPolarHBondContact CB-O 3.41Å; Q1017-T1056 PolarHBondContact N-O 3.09Å
1018	D	78.8	Confident	81.1	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.027	23%	0.23	C	C	.	.			trans	-82.7	178.9	172.1	86.9	-17.7	0	0	0	111.5	S895 I1001 Y1020 S1021 S1022	S895-D1018 WeakPolarHBondContact CB-OD2 3.31Å; I1001-D1018 HydrophobicContact CB-CB 4.29Å; I1001-D1018 HydrophobicContact CG2-CB 4.34Å; D1018-Y1020 PolarHBondContact O-N 2.92Å; D1018-Y1020 WeakPolarHBondContact OD1-CA 3.45Å; D1018-Y1020 PolarHBondContact OD1-N 3.22Å; D1018-S1021 PolarHBondContact O-N 2.95Å; D1018-S1021 PolarHBondContact OD1-N 3.33Å; D1018-S1022 PolarHBondContact OD1-N 3.01Å; D1018-S1022 PolarHBondContact OD1-OG 3.13Å; D1018-S1022 PolarHBondContact OD2-OG 3.1Å
1019	C	72.4	Confident	82.1	Confident	51 Å²	51	43.7 Å²	43.7	35%	0.345	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-5.6	-179.2	62.3	0	0	0	0	114.5	R893 T894	R893-C1019 HydrophobicContact CB-CB 3.99Å; T894-C1019 PolarHBondContact O-SG 3.08Å
1020	Y	75.6	Confident	83.4	Confident	117 Å²	117	48.8 Å²	48.8	46%	0.459	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	1.1	-178.2	-60.3	-61.6	0	0	0	113	N820 R893 D1018 S1022	N820-Y1020 PolarHBondContact ND2-OH 2.76Å; N820-Y1020 PolarHBondContact OD1-OH 3.46Å; R893-Y1020 PolarHBondContact O-OH 3.12Å; D1018-Y1020 PolarHBondContact O-N 2.92Å; D1018-Y1020 WeakPolarHBondContact OD1-CA 3.45Å; D1018-Y1020 PolarHBondContact OD1-N 3.22Å; Y1020-S1022 PolarHBondContact O-N 2.97Å
1021	S	79.3	Confident	84.6	Confident	92 Å²	92	47.6 Å²	47.6	64%	0.643	25%	0.251	S	S	*	.			trans	56.2	37.6	-171.5	-58.9	0	0	0	0	112.8	Q1017 D1018	Q1017-S1021 VanDerWaalsContact OE1-C 3.29Å; D1018-S1021 PolarHBondContact O-N 2.95Å; D1018-S1021 PolarHBondContact OD1-N 3.33Å
1022	S	76.4	Confident	85.1	Confident	66 Å²	66	49.5 Å²	49.5	46%	0.462	26%	0.259	S	S	.	.			trans	-74.8	-24.8	-173.3	76	0	0	0	0	113.8	Q1017 D1018 Y1020	Q1017-S1022 VanDerWaalsContact OE1-N 3.14Å; D1018-S1022 PolarHBondContact OD1-N 3.01Å; D1018-S1022 PolarHBondContact OD1-OG 3.13Å; D1018-S1022 PolarHBondContact OD2-OG 3.1Å; Y1020-S1022 PolarHBondContact O-N 2.97Å
1023	I	83.2	Confident	85.4	Confident	13 Å²	13	52.5 Å²	52.5	7%	0.067	28%	0.279	C	S	.	.	S	Bend	trans	-76.3	125.8	178.7	-52.9	-54.1	0	0	0	108.6	I997 F998 I1001 Q1017 M1025 E1027 A1028	I997-I1023 HydrophobicContact CG1-CD1 3.6Å; I997-I1023 HydrophobicContact CG2-CD1 4.28Å; F998-I1023 HydrophobicContact CE1-CG2 4.22Å; F998-I1023 HydrophobicContact CZ-CG2 4.1Å; I1001-I1023 HydrophobicContact CD1-CG1 4Å; I1001-I1023 HydrophobicContact CG2-CD1 4.27Å; Q1017-I1023 PolarHBondContact NE2-O 3.48Å; Q1017-I1023 VanDerWaalsContact OE1-CB 3.26Å; I1023-M1025 PolarHBondContact O-N 3.06Å; I1023-E1027 HydrophobicContact CG2-CB 4.11Å; I1023-A1028 HydrophobicContact CG2-CB 4.29Å
1024	P	83.9	Confident	85.8	Confident	66 Å²	66	53.6 Å²	53.6	43%	0.429	29%	0.285	S	S	.	.			trans	-52.8	129.4	175.6	-26.8	35.2	0	0	0	111.7	P1026 E1027 A1028	P1024-P1026 VanDerWaalsContact C-N 3.28Å; P1024-P1026 VanDerWaalsContact O-N 3.12Å; P1024-E1027 HydrophobicContact CB-CG 4.36Å; P1024-E1027 WeakPolarHBondContact O-CB 3.38Å; P1024-E1027 PolarHBondContact O-N 2.98Å; P1024-A1028 PolarHBondContact O-N 2.99Å; P1024-A1028 VanDerWaalsContact O-N 3.11Å
1025	M	87.1	Confident	85.9	Confident	113 Å²	113	53.6 Å²	53.6	56%	0.557	29%	0.285	S	S	*	.	H	α-helix	trans	-50.9	-37.4	-178.7	-74.3	-60.6	-65.1	0	0	114.7	I1023 E1027 A1028 N1029	I1023-M1025 PolarHBondContact O-N 3.06Å; M1025-E1027 VanDerWaalsContact C-N 3.3Å; M1025-E1027 PolarHBondContact O-N 2.84Å; M1025-A1028 PolarHBondContact O-N 3.21Å; M1025-N1029 VanDerWaalsContact O-CB 3.3Å; M1025-N1029 WeakPolarHBondContact O-CB 3.16Å; M1025-N1029 PolarHBondContact O-N 2.96Å; M1025-N1029 PolarHBondContact O-ND2 2.78Å
1026	P	87.5	Confident	86	Confident	92 Å²	92	57.7 Å²	57.7	60%	0.597	30%	0.303	S	S	*	.	H	α-helix	trans	-60.4	-36.3	174.5	-25.5	36	0	0	0	114	P1024 R1030	P1024-P1026 VanDerWaalsContact C-N 3.28Å; P1024-P1026 VanDerWaalsContact O-N 3.12Å; P1026-R1030 WeakPolarHBondContact O-CB 3.47Å; P1026-R1030 PolarHBondContact O-N 2.81Å
1027	E	87.5	Confident	86.1	Confident	82 Å²	82	61.9 Å²	61.9	38%	0.383	33%	0.325	S	S	.	.	H	α-helix	trans	-73.7	-44.9	177.9	-66.6	174.5	-166.1	0	0	110.9	I1023 P1024 M1025 N1029 R1030 W1031	I1023-E1027 HydrophobicContact CG2-CB 4.11Å; P1024-E1027 HydrophobicContact CB-CG 4.36Å; P1024-E1027 WeakPolarHBondContact O-CB 3.38Å; P1024-E1027 PolarHBondContact O-N 2.98Å; M1025-E1027 VanDerWaalsContact C-N 3.3Å; M1025-E1027 PolarHBondContact O-N 2.84Å; E1027-N1029 VanDerWaalsContact C-N 3.31Å; E1027-N1029 PolarHBondContact O-N 2.86Å; E1027-R1030 PolarHBondContact O-N 2.77Å; E1027-W1031 WeakPolarHBondContact O-CB 3.47Å; E1027-W1031 PolarHBondContact O-N 3.17Å
1028	A	88.7	Confident	86.4	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-59.6	-41.4	175.2	0	0	0	0	0	112.1	Q1016 I1023 P1024 M1025 W1031 Y1032	Q1016-A1028 HydrophobicContact CG-CB 4.1Å; I1023-A1028 HydrophobicContact CG2-CB 4.29Å; P1024-A1028 PolarHBondContact O-N 2.99Å; P1024-A1028 VanDerWaalsContact O-N 3.11Å; M1025-A1028 PolarHBondContact O-N 3.21Å; A1028-W1031 PolarHBondContact O-N 3.04Å; A1028-Y1032 WeakPolarHBondContact O-CB 3.42Å; A1028-Y1032 PolarHBondContact O-N 3.3Å
1029	N	90.6	Very high	86.9	Confident	77 Å²	77	61.7 Å²	61.7	41%	0.412	33%	0.325	S	S	.	.	H	α-helix	trans	-69	-40.6	176.6	-71.5	-17	0	0	0	112.1	M1025 E1027 W1031 Y1032 S1033	M1025-N1029 VanDerWaalsContact O-CB 3.3Å; M1025-N1029 WeakPolarHBondContact O-CB 3.16Å; M1025-N1029 PolarHBondContact O-N 2.96Å; M1025-N1029 PolarHBondContact O-ND2 2.78Å; E1027-N1029 VanDerWaalsContact C-N 3.31Å; E1027-N1029 PolarHBondContact O-N 2.86Å; N1029-W1031 VanDerWaalsContact C-N 3.34Å; N1029-Y1032 PolarHBondContact O-N 3.13Å; N1029-S1033 PolarHBondContact O-N 3.26Å; N1029-S1033 PolarHBondContact O-OG 2.95Å
1030	R	91.2	Very high	87.6	Confident	171 Å²	171	62 Å²	62	65%	0.645	33%	0.33	S	S	*	.	H	α-helix	trans	-61	-45.4	174.8	-174.6	-169.9	-58.8	163.4	2.8	110.8	P1026 E1027 S1033 H1034	P1026-R1030 WeakPolarHBondContact O-CB 3.47Å; P1026-R1030 PolarHBondContact O-N 2.81Å; E1027-R1030 PolarHBondContact O-N 2.77Å; R1030-S1033 PolarHBondContact O-N 3.27Å; R1030-H1034 WeakPolarHBondContact O-CB 3.41Å; R1030-H1034 PolarHBondContact O-N 2.84Å
1031	W	92.1	Very high	88.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.1	-44	176.3	177	-119.7	0	0	0	112	V986 A989 A990 N995 F998 V1014 P1015 E1027 A1028 N1029 S1033 H1034 V1035	V986-W1031 HydrophobicContact CG1-CH2 4.23Å; V986-W1031 HydrophobicContact CG1-CZ2 4.14Å; A989-W1031 HydrophobicContact CB-CH2 4.39Å; A989-W1031 HydrophobicContact CB-CZ3 4.21Å; A990-W1031 HydrophobicContact CB-CH2 3.72Å; A990-W1031 HydrophobicContact CB-CZ2 4.26Å; A990-W1031 HydrophobicContact CB-CZ3 4.49Å; N995-W1031 HydrophobicContact CB-CE3 4.09Å; N995-W1031 HydrophobicContact CB-CZ3 3.94Å; F998-W1031 HydrophobicContact CB-CD2 4.28Å; F998-W1031 HydrophobicContact CB-CZ2 3.9Å; F998-W1031 AromaticContact CD1-CD1 3.4Å; F998-W1031 VanDerWaalsContact CD1-CD1 3.4Å; F998-W1031 HydrophobicContact CD1-CD2 4.36Å; F998-W1031 AromaticContact CD1-CG 3.89Å; F998-W1031 HydrophobicContact CD1-CG 3.89Å; F998-W1031 AromaticContact CD1-NE1 3.57Å; F998-W1031 HydrophobicContact CD2-CB 4.08Å; F998-W1031 AromaticContact CD2-CD1 3.9Å; F998-W1031 AromaticContact CD2-CD2 3.5Å; F998-W1031 HydrophobicContact CD2-CD2 3.5Å; F998-W1031 VanDerWaalsContact CD2-CD2 3.5Å; F998-W1031 AromaticContact CD2-CE2 3.86Å; F998-W1031 AromaticContact CD2-CE3 3.9Å; F998-W1031 HydrophobicContact CD2-CE3 3.9Å; F998-W1031 AromaticContact CD2-CG 3.57Å; F998-W1031 HydrophobicContact CD2-CG 3.57Å; F998-W1031 HydrophobicContact CE1-CB 4.04Å; F998-W1031 AromaticContact CE1-CD1 3.54Å; F998-W1031 AromaticContact CE1-CG 3.83Å; F998-W1031 HydrophobicContact CE1-CG 3.83Å; F998-W1031 HydrophobicContact CE2-CB 3.49Å; F998-W1031 VanDerWaalsContact CE2-CB 3.49Å; F998-W1031 AromaticContact CE2-CD2 3.89Å; F998-W1031 HydrophobicContact CE2-CD2 3.89Å; F998-W1031 HydrophobicContact CE2-CE3 4.31Å; F998-W1031 AromaticContact CE2-CG 3.52Å; F998-W1031 HydrophobicContact CE2-CG 3.52Å; F998-W1031 AromaticContact CG-CD1 3.62Å; F998-W1031 AromaticContact CG-CD2 3.79Å; F998-W1031 HydrophobicContact CG-CD2 3.79Å; F998-W1031 AromaticContact CG-CE2 3.66Å; F998-W1031 AromaticContact CG-CG 3.78Å; F998-W1031 HydrophobicContact CG-CG 3.78Å; F998-W1031 HydrophobicContact CG-CZ2 4.32Å; F998-W1031 AromaticContact CG-NE1 3.49Å; F998-W1031 HydrophobicContact CZ-CB 3.48Å; F998-W1031 VanDerWaalsContact CZ-CB 3.48Å; F998-W1031 AromaticContact CZ-CD1 3.87Å; F998-W1031 HydrophobicContact CZ-CD2 4.46Å; F998-W1031 AromaticContact CZ-CG 3.66Å; F998-W1031 HydrophobicContact CZ-CG 3.66Å; V1014-W1031 HydrophobicContact CG1-CZ2 3.5Å; P1015-W1031 PolarHBondContact O-NE1 3.01Å; E1027-W1031 WeakPolarHBondContact O-CB 3.47Å; E1027-W1031 PolarHBondContact O-N 3.17Å; A1028-W1031 PolarHBondContact O-N 3.04Å; N1029-W1031 VanDerWaalsContact C-N 3.34Å; W1031-S1033 PolarHBondContact O-N 3.25Å; W1031-H1034 PolarHBondContact O-N 2.94Å; W1031-V1035 HydrophobicContact CD2-CG2 3.92Å; W1031-V1035 HydrophobicContact CE3-CG2 4.28Å; W1031-V1035 HydrophobicContact CH2-CG2 3.98Å; W1031-V1035 HydrophobicContact CZ2-CG2 3.63Å; W1031-V1035 HydrophobicContact CZ3-CG2 4.3Å; W1031-V1035 WeakPolarHBondContact O-CG2 3.32Å; W1031-V1035 PolarHBondContact O-N 3.46Å
1032	Y	92.3	Very high	88.3	Confident	41 Å²	41	57.1 Å²	57.1	16%	0.161	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-46	175.3	177.7	-113.3	0	0	0	113.2	A1028 N1029 V1035 K1036 V1051 D1053 I1058	A1028-Y1032 WeakPolarHBondContact O-CB 3.42Å; A1028-Y1032 PolarHBondContact O-N 3.3Å; N1029-Y1032 PolarHBondContact O-N 3.13Å; Y1032-V1035 PolarHBondContact O-N 3.2Å; Y1032-K1036 HydrophobicContact CD1-CD 4.35Å; Y1032-K1036 HydrophobicContact CE1-CD 3.87Å; Y1032-K1036 VanDerWaalsContact CE1-CE 3.42Å; Y1032-K1036 PolarHBondContact O-N 3.33Å; Y1032-K1036 WeakPolarHBondContact OH-CE 3.45Å; Y1032-K1036 PolarHBondContact OH-NZ 2.78Å; Y1032-V1051 HydrophobicContact CE2-CG1 4.33Å; Y1032-D1053 HydrophobicContact CE2-CB 3.78Å; Y1032-I1058 HydrophobicContact CD2-CB 4.43Å; Y1032-I1058 HydrophobicContact CD2-CD1 3.75Å; Y1032-I1058 HydrophobicContact CD2-CG1 3.77Å; Y1032-I1058 HydrophobicContact CD2-CG2 3.96Å; Y1032-I1058 HydrophobicContact CE2-CG1 4.44Å; Y1032-I1058 HydrophobicContact CE2-CG2 3.92Å; Y1032-I1058 HydrophobicContact CG-CD1 4.46Å
1033	S	91.3	Very high	88	Confident	62 Å²	62	56.3 Å²	56.3	43%	0.434	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-45.1	174.4	-63	0	0	0	0	111.5	N1029 R1030 W1031 V1035 K1036 D1037	N1029-S1033 PolarHBondContact O-N 3.26Å; N1029-S1033 PolarHBondContact O-OG 2.95Å; R1030-S1033 PolarHBondContact O-N 3.27Å; W1031-S1033 PolarHBondContact O-N 3.25Å; S1033-V1035 PolarHBondContact O-N 2.95Å; S1033-K1036 WeakPolarHBondContact O-CB 3.42Å; S1033-K1036 PolarHBondContact O-N 2.81Å; S1033-K1036 VanDerWaalsContact O-N 3.12Å; S1033-D1037 VanDerWaalsContact O-CG 3.25Å; S1033-D1037 PolarHBondContact O-N 2.95Å
1034	H	92.6	Very high	87.3	Confident	62 Å²	62	59.6 Å²	59.6	29%	0.287	33%	0.328	S	S	.	.	H	α-helix	trans	-60.9	-43.6	179.1	-168.9	-169	0	0	0	112.2	R1030 W1031 K1036 D1037 I1038	R1030-H1034 WeakPolarHBondContact O-CB 3.41Å; R1030-H1034 PolarHBondContact O-N 2.84Å; W1031-H1034 PolarHBondContact O-N 2.94Å; H1034-K1036 VanDerWaalsContact C-N 3.33Å; H1034-K1036 PolarHBondContact O-N 3.13Å; H1034-D1037 PolarHBondContact O-N 3.45Å; H1034-I1038 WeakPolarHBondContact O-CD1 3.5Å; H1034-I1038 VanDerWaalsContact O-CG1 3.29Å; H1034-I1038 WeakPolarHBondContact O-CG1 3.46Å; H1034-I1038 PolarHBondContact O-N 3.46Å
1035	V	91.2	Very high	86.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-38.2	175.9	173.3	0	0	0	0	111.2	V986 V1014 W1031 Y1032 S1033 I1038 V1039 I1058	V986-V1035 HydrophobicContact CG1-CG2 4.41Å; V986-V1035 HydrophobicContact CG2-CG1 4.47Å; V1014-V1035 HydrophobicContact CG1-CG2 4.05Å; V1014-V1035 HydrophobicContact CG2-CG1 4.22Å; W1031-V1035 HydrophobicContact CD2-CG2 3.92Å; W1031-V1035 HydrophobicContact CE3-CG2 4.28Å; W1031-V1035 HydrophobicContact CH2-CG2 3.98Å; W1031-V1035 HydrophobicContact CZ2-CG2 3.63Å; W1031-V1035 HydrophobicContact CZ3-CG2 4.3Å; W1031-V1035 WeakPolarHBondContact O-CG2 3.32Å; W1031-V1035 PolarHBondContact O-N 3.46Å; Y1032-V1035 PolarHBondContact O-N 3.2Å; S1033-V1035 PolarHBondContact O-N 2.95Å; V1035-I1038 PolarHBondContact O-N 3.04Å; V1035-V1039 VanDerWaalsContact O-CG2 3.27Å; V1035-V1039 WeakPolarHBondContact O-CG2 3.19Å; V1035-V1039 PolarHBondContact O-N 3.5Å; V1035-I1058 HydrophobicContact CB-CD1 3.82Å; V1035-I1058 HydrophobicContact CG1-CD1 4.02Å; V1035-I1058 HydrophobicContact CG1-CG2 4.15Å; V1035-I1058 HydrophobicContact CG2-CD1 3.88Å
1036	K	90.2	Very high	86.2	Confident	86 Å²	86	54.1 Å²	54.1	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-43.2	173.5	-85.5	-176.9	165.4	172.9	0	112.6	Y1032 S1033 H1034 I1038 V1039 A1040 V1051	Y1032-K1036 HydrophobicContact CD1-CD 4.35Å; Y1032-K1036 HydrophobicContact CE1-CD 3.87Å; Y1032-K1036 VanDerWaalsContact CE1-CE 3.42Å; Y1032-K1036 PolarHBondContact O-N 3.33Å; Y1032-K1036 WeakPolarHBondContact OH-CE 3.45Å; Y1032-K1036 PolarHBondContact OH-NZ 2.78Å; S1033-K1036 WeakPolarHBondContact O-CB 3.42Å; S1033-K1036 PolarHBondContact O-N 2.81Å; S1033-K1036 VanDerWaalsContact O-N 3.12Å; H1034-K1036 VanDerWaalsContact C-N 3.33Å; H1034-K1036 PolarHBondContact O-N 3.13Å; K1036-I1038 VanDerWaalsContact C-N 3.33Å; K1036-V1039 PolarHBondContact O-N 2.76Å; K1036-A1040 PolarHBondContact O-N 3Å; K1036-V1051 HydrophobicContact CG-CG1 4.13Å
1037	D	90.7	Very high	85.7	Confident	96 Å²	96	53.2 Å²	53.2	51%	0.513	30%	0.298	S	S	.	.	H	α-helix	trans	-63	-43.2	177.9	-62.8	-23.7	0	0	0	110.3	S1033 H1034 V1039 A1040 D1041	S1033-D1037 VanDerWaalsContact O-CG 3.25Å; S1033-D1037 PolarHBondContact O-N 2.95Å; H1034-D1037 PolarHBondContact O-N 3.45Å; D1037-V1039 VanDerWaalsContact C-N 3.33Å; D1037-V1039 PolarHBondContact O-N 3.37Å; D1037-A1040 WeakPolarHBondContact O-CB 3.49Å; D1037-A1040 PolarHBondContact O-N 3.28Å; D1037-A1040 VanDerWaalsContact O-N 3.13Å; D1037-D1041 PolarHBondContact O-N 2.83Å
1038	I	91.5	Very high	85.2	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-60.6	-42.3	174.4	-64.6	158.7	0	0	0	111.2	L982 R985 V986 A989 H1034 V1035 K1036 A1040 D1041 V1042	L982-I1038 HydrophobicContact CD1-CG2 3.79Å; R985-I1038 HydrophobicContact CB-CG2 3.64Å; V986-I1038 HydrophobicContact CG2-CD1 4.43Å; V986-I1038 HydrophobicContact CG2-CG2 3.95Å; A989-I1038 HydrophobicContact CB-CD1 3.48Å; A989-I1038 VanDerWaalsContact CB-CD1 3.48Å; H1034-I1038 WeakPolarHBondContact O-CD1 3.5Å; H1034-I1038 VanDerWaalsContact O-CG1 3.29Å; H1034-I1038 WeakPolarHBondContact O-CG1 3.46Å; H1034-I1038 PolarHBondContact O-N 3.46Å; V1035-I1038 PolarHBondContact O-N 3.04Å; K1036-I1038 VanDerWaalsContact C-N 3.33Å; I1038-A1040 VanDerWaalsContact C-N 3.31Å; I1038-A1040 PolarHBondContact O-N 2.73Å; I1038-D1041 PolarHBondContact O-N 3.11Å; I1038-V1042 VanDerWaalsContact O-CG2 3.32Å; I1038-V1042 WeakPolarHBondContact O-CG2 3.41Å; I1038-V1042 PolarHBondContact O-N 2.9Å
1039	V	89.1	Confident	84.8	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-38	176.2	174.4	0	0	0	0	111.5	L982 V1035 K1036 D1037 V1051 V1060	L982-V1039 HydrophobicContact CD1-CB 4.35Å; L982-V1039 HydrophobicContact CD1-CG2 3.72Å; L982-V1039 HydrophobicContact CD2-CG2 4.07Å; V1035-V1039 VanDerWaalsContact O-CG2 3.27Å; V1035-V1039 WeakPolarHBondContact O-CG2 3.19Å; V1035-V1039 PolarHBondContact O-N 3.5Å; K1036-V1039 PolarHBondContact O-N 2.76Å; D1037-V1039 VanDerWaalsContact C-N 3.33Å; D1037-V1039 PolarHBondContact O-N 3.37Å; V1039-V1051 HydrophobicContact CB-CG2 4.22Å; V1039-V1051 HydrophobicContact CG1-CG2 3.75Å; V1039-V1051 HydrophobicContact CG2-CG2 4.16Å; V1039-V1060 HydrophobicContact CG1-CG1 4.32Å; V1039-V1060 HydrophobicContact CG2-CG1 4.19Å; V1039-V1060 HydrophobicContact CG2-CG2 3.8Å
1040	A	87.3	Confident	84.4	Confident	56 Å²	56	52.2 Å²	52.2	46%	0.463	30%	0.295	S	S	.	.	H	α-helix	trans	-68.6	-36.5	177.4	0	0	0	0	0	112.5	K1036 D1037 I1038	K1036-A1040 PolarHBondContact O-N 3Å; D1037-A1040 WeakPolarHBondContact O-CB 3.49Å; D1037-A1040 PolarHBondContact O-N 3.28Å; D1037-A1040 VanDerWaalsContact O-N 3.13Å; I1038-A1040 VanDerWaalsContact C-N 3.31Å; I1038-A1040 PolarHBondContact O-N 2.73Å
1041	D	86.7	Confident	84.1	Confident	102 Å²	102	45.9 Å²	45.9	55%	0.545	28%	0.275	S	S	.	.	H	α-helix	trans	-72.6	-29.3	-179.4	-76.8	-5.9	0	0	0	114	R985 D1037 I1038 G1043	R985-D1041 IonicContact CZ-OD2 3.22Å; R985-D1041 IonicContact NH1-OD2 2.68Å; R985-D1041 PolarHBondContact NH1-OD2 3.1Å; R985-D1041 IonicContact NH2-OD2 3.04Å; R985-D1041 PolarHBondContact NH2-OD2 2.9Å; D1037-D1041 PolarHBondContact O-N 2.83Å; I1038-D1041 PolarHBondContact O-N 3.11Å; D1041-G1043 PolarHBondContact O-N 3.41Å
1042	V	83.7	Confident	83.7	Confident	6 Å²	6	49.2 Å²	49.2	4%	0.036	29%	0.291	C	S	.	.	S	Bend	trans	-80	67.4	-176.7	-176.1	0	0	0	0	109.9	H978 R981 L982 I1038 L1045	H978-V1042 HydrophobicContact CB-CG1 4.29Å; R981-V1042 HydrophobicContact CB-CG1 4.42Å; R981-V1042 HydrophobicContact CG-CG1 4.39Å; L982-V1042 HydrophobicContact CD1-CG2 4.23Å; I1038-V1042 VanDerWaalsContact O-CG2 3.32Å; I1038-V1042 WeakPolarHBondContact O-CG2 3.41Å; I1038-V1042 PolarHBondContact O-N 2.9Å; V1042-L1045 HydrophobicContact CB-CD1 3.87Å; V1042-L1045 HydrophobicContact CG1-CD1 3.54Å; V1042-L1045 HydrophobicContact CG1-CG 4.44Å; V1042-L1045 WeakPolarHBondContact O-CB 3.28Å; V1042-L1045 WeakPolarHBondContact O-CG 3.06Å; V1042-L1045 PolarHBondContact O-N 2.75Å
1043	G	69.5	Low	83.2	Confident	48 Å²	48	50.6 Å²	50.6	50%	0.495	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	-131.2	169.3	0	0	0	0	0	114.5	D1041 L1045	D1041-G1043 PolarHBondContact O-N 3.41Å; G1043-L1045 PolarHBondContact O-N 2.74Å
1044	T	69.9	Low	82.4	Confident	82 Å²	82	51.8 Å²	51.8	50%	0.503	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	7.2	-176	47.2	0	0	0	0	114.2	S1046 S1047 L1048	T1044-S1046 VanDerWaalsContact C-N 3.32Å; T1044-S1046 PolarHBondContact O-N 2.99Å; T1044-S1047 PolarHBondContact O-N 2.92Å; T1044-S1047 PolarHBondContact O-OG 3.27Å; T1044-L1048 WeakPolarHBondContact O-CG 3.32Å; T1044-L1048 PolarHBondContact O-N 2.85Å
1045	L	73.5	Confident	81.5	Confident	1 Å²	1	51 Å²	51	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-35.1	-178.8	-79.6	175.3	0	0	0	113.1	I975 H978 M979 L982 V1042 G1043 S1047 L1048 C1049	I975-L1045 HydrophobicContact CG2-CD2 4.05Å; H978-L1045 HydrophobicContact CB-CD1 3.82Å; H978-L1045 HydrophobicContact CB-CD2 3.96Å; H978-L1045 HydrophobicContact CB-CG 3.8Å; M979-L1045 HydrophobicContact CG-CD2 4.23Å; M979-L1045 HydrophobicContact SD-CD1 4.34Å; M979-L1045 HydrophobicContact SD-CD2 3.84Å; L982-L1045 HydrophobicContact CB-CD1 4.02Å; L982-L1045 HydrophobicContact CD2-CD1 4.18Å; V1042-L1045 HydrophobicContact CB-CD1 3.87Å; V1042-L1045 HydrophobicContact CG1-CD1 3.54Å; V1042-L1045 HydrophobicContact CG1-CG 4.44Å; V1042-L1045 WeakPolarHBondContact O-CB 3.28Å; V1042-L1045 WeakPolarHBondContact O-CG 3.06Å; V1042-L1045 PolarHBondContact O-N 2.75Å; G1043-L1045 PolarHBondContact O-N 2.74Å; L1045-S1047 VanDerWaalsContact C-N 3.25Å; L1045-S1047 PolarHBondContact O-N 2.84Å; L1045-L1048 PolarHBondContact O-N 2.94Å; L1045-L1048 VanDerWaalsContact O-N 3.1Å; L1045-C1049 WeakPolarHBondContact O-CB 3.4Å; L1045-C1049 PolarHBondContact O-N 3.41Å
1046	S	73	Confident	80.9	Confident	64 Å²	64	53.5 Å²	53.5	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-32.3	-179.8	59.4	0	0	0	0	113.3	T1044 K1063	T1044-S1046 VanDerWaalsContact C-N 3.32Å; T1044-S1046 PolarHBondContact O-N 2.99Å; S1046-K1063 PolarHBondContact O-NZ 2.91Å
1047	S	77.1	Confident	80.7	Confident	73 Å²	73	51.3 Å²	51.3	51%	0.51	32%	0.318	S	S	.	.	H	α-helix	trans	-79.5	-30.5	175.7	65.2	0	0	0	0	112.1	T1044 L1045 K1063	T1044-S1047 PolarHBondContact O-N 2.92Å; T1044-S1047 PolarHBondContact O-OG 3.27Å; L1045-S1047 VanDerWaalsContact C-N 3.25Å; L1045-S1047 PolarHBondContact O-N 2.84Å; S1047-K1063 WeakPolarHBondContact O-CD 3.21Å; S1047-K1063 PolarHBondContact O-NZ 2.84Å
1048	L	76.9	Confident	80.6	Confident	69 Å²	69	46.7 Å²	46.7	36%	0.361	29%	0.293	S	S	.	.	H	α-helix	trans	-94.6	-22.3	-174	-64.7	170.2	0	0	0	115	I975 T1044 L1045 K1063	I975-L1048 HydrophobicContact CD1-CD1 3.88Å; I975-L1048 HydrophobicContact CG1-CD1 4.17Å; T1044-L1048 WeakPolarHBondContact O-CG 3.32Å; T1044-L1048 PolarHBondContact O-N 2.85Å; L1045-L1048 PolarHBondContact O-N 2.94Å; L1045-L1048 VanDerWaalsContact O-N 3.1Å; L1048-K1063 WeakPolarHBondContact O-CB 3.23Å; L1048-K1063 PolarHBondContact O-N 2.92Å
1049	C	80.5	Confident	80.3	Confident	4 Å²	4	47.7 Å²	47.7	3%	0.027	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.5	-175.2	-63.3	0	0	0	0	112.1	L1045 V1060 Q1061 K1063	L1045-C1049 WeakPolarHBondContact O-CB 3.4Å; L1045-C1049 PolarHBondContact O-N 3.41Å; C1049-V1060 HydrophobicContact CB-CG1 4.05Å; C1049-Q1061 CarbonylContact C-O 3.52Å; C1049-Q1061 WeakPolarHBondContact CA-O 3.39Å; C1049-Q1061 VanDerWaalsContact CB-O 3.28Å; C1049-Q1061 WeakPolarHBondContact CB-O 3.5Å; C1049-K1063 WeakPolarHBondContact O-CE 3.41Å
1050	D	81.9	Confident	80.2	Confident	65 Å²	65	47.5 Å²	47.5	35%	0.348	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.2	167.7	-77.8	-27.4	0	0	0	110.1	Q1052 V1060 Q1061 K1063	D1050-Q1052 HydrophobicContact CB-CG 4.48Å; D1050-V1060 WeakPolarHBondContact O-CA 3.28Å; D1050-Q1061 PolarHBondContact N-O 3.16Å; D1050-Q1061 PolarHBondContact O-N 2.62Å; D1050-K1063 HydrophobicContact CB-CG 4.41Å; D1050-K1063 VanDerWaalsContact CG-CG 3.5Å; D1050-K1063 WeakPolarHBondContact OD1-CE 3.42Å; D1050-K1063 WeakPolarHBondContact OD1-CG 3.39Å
1051	V	85.8	Confident	80	Confident	38 Å²	38	47.5 Å²	47.5	23%	0.23	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	108.9	171.4	-174.6	0	0	0	0	108.4	Y1032 K1036 V1039 I1058 I1059 V1060	Y1032-V1051 HydrophobicContact CE2-CG1 4.33Å; K1036-V1051 HydrophobicContact CG-CG1 4.13Å; V1039-V1051 HydrophobicContact CB-CG2 4.22Å; V1039-V1051 HydrophobicContact CG1-CG2 3.75Å; V1039-V1051 HydrophobicContact CG2-CG2 4.16Å; V1051-I1058 HydrophobicContact CG1-CG2 3.53Å; V1051-I1059 WeakPolarHBondContact CA-O 3.41Å; V1051-V1060 HydrophobicContact CG1-CG2 4.45Å; V1051-V1060 HydrophobicContact CG2-CG1 4.4Å; V1051-V1060 HydrophobicContact CG2-CG2 4.27Å
1052	Q	82.9	Confident	79.5	Confident	71 Å²	71	45.2 Å²	45.2	33%	0.332	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.2	-179.4	-60.6	-174.8	0.9	0	0	110.4	D1050 I1058 I1059 Q1061	D1050-Q1052 HydrophobicContact CB-CG 4.48Å; Q1052-I1058 CarbonylContact O-C 3.43Å; Q1052-I1058 WeakPolarHBondContact O-CA 3.32Å; Q1052-I1059 PolarHBondContact N-O 2.87Å; Q1052-I1059 PolarHBondContact O-N 2.74Å; Q1052-Q1061 VanDerWaalsContact NE2-NE2 3.17Å
1053	D	81.5	Confident	78.9	Confident	70 Å²	70	49.1 Å²	49.1	37%	0.374	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125	168.9	-176.3	-14.1	0	0	0	108.1	Q1016 Y1032 G1055	Q1016-D1053 PolarHBondContact NE2-OD2 2.83Å; Q1016-D1053 PolarHBondContact OE1-OD1 2.9Å; Q1016-D1053 VanDerWaalsContact OE1-OD1 3.07Å; Q1016-D1053 PolarHBondContact OE1-OD2 2.79Å; Y1032-D1053 HydrophobicContact CE2-CB 3.78Å; D1053-G1055 WeakPolarHBondContact OD1-CA 3.44Å; D1053-G1055 PolarHBondContact OD1-N 3.36Å
1054	N	74.2	Confident	78.4	Confident	86 Å²	86	51.7 Å²	51.7	46%	0.46	29%	0.29	S	S	.	.			trans	-108	11.3	176.4	74.6	17.9	0	0	0	113.8	T1056 H1057 I1059	N1054-T1056 VanDerWaalsContact C-N 3.32Å; N1054-T1056 PolarHBondContact O-N 3.45Å; N1054-T1056 PolarHBondContact OD1-N 3.3Å; N1054-T1056 PolarHBondContact OD1-OG1 3.4Å; N1054-H1057 PolarHBondContact N-O 3.26Å; N1054-H1057 PolarHBondContact OD1-N 2.91Å; N1054-H1057 PolarHBondContact OD1-O 3.25Å; N1054-I1059 WeakPolarHBondContact ND2-CD1 3.42Å
1055	G	74.7	Confident	77.1	Confident	46 Å²	46	54 Å²	54	47%	0.474	31%	0.31	S	S	.	.	S	Bend	trans	89.6	-23.8	-176.6	0	0	0	0	0	114.5	Q1017 D1053	Q1017-G1055 WeakPolarHBondContact CB-O 3.41Å; D1053-G1055 WeakPolarHBondContact OD1-CA 3.44Å; D1053-G1055 PolarHBondContact OD1-N 3.36Å
1056	T	79	Confident	75.7	Confident	53 Å²	53	57.3 Å²	57.3	33%	0.325	34%	0.343	S	S	.	.	S	Bend	trans	-118.7	-31.4	-179.9	58.7	0	0	0	0	113.4	Q1016 Q1017 N1054	Q1016-T1056 PolarHBondContact N-O 3.48Å; Q1017-T1056 PolarHBondContact N-O 3.09Å; N1054-T1056 VanDerWaalsContact C-N 3.32Å; N1054-T1056 PolarHBondContact O-N 3.45Å; N1054-T1056 PolarHBondContact OD1-N 3.3Å; N1054-T1056 PolarHBondContact OD1-OG1 3.4Å
1057	H	85.4	Confident	74.4	Confident	39 Å²	39	60.1 Å²	60.1	18%	0.181	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	144.5	-178.3	-59.7	73	0	0	0	110.2	V1014 N1054 I1059	V1014-H1057 CarbonylContact O-C 3.6Å; V1014-H1057 WeakPolarHBondContact O-CA 3.32Å; N1054-H1057 PolarHBondContact N-O 3.26Å; N1054-H1057 PolarHBondContact OD1-N 2.91Å; N1054-H1057 PolarHBondContact OD1-O 3.25Å; H1057-I1059 HydrophobicContact CB-CG1 4.44Å
1058	I	89.5	Confident	73	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.7	163.7	-39.7	173.8	0	0	0	106.6	V1014 Q1016 Y1032 V1035 V1051 Q1052	V1014-I1058 HydrophobicContact CB-CB 4.11Å; V1014-I1058 HydrophobicContact CB-CD1 4.44Å; V1014-I1058 HydrophobicContact CB-CG1 4.49Å; V1014-I1058 HydrophobicContact CG1-CD1 4.45Å; V1014-I1058 PolarHBondContact N-O 3.24Å; V1014-I1058 PolarHBondContact O-N 3.12Å; Q1016-I1058 HydrophobicContact CB-CD1 4.45Å; Q1016-I1058 HydrophobicContact CB-CG1 3.97Å; Q1016-I1058 HydrophobicContact CG-CG1 4.46Å; Y1032-I1058 HydrophobicContact CD2-CB 4.43Å; Y1032-I1058 HydrophobicContact CD2-CD1 3.75Å; Y1032-I1058 HydrophobicContact CD2-CG1 3.77Å; Y1032-I1058 HydrophobicContact CD2-CG2 3.96Å; Y1032-I1058 HydrophobicContact CE2-CG1 4.44Å; Y1032-I1058 HydrophobicContact CE2-CG2 3.92Å; Y1032-I1058 HydrophobicContact CG-CD1 4.46Å; V1035-I1058 HydrophobicContact CB-CD1 3.82Å; V1035-I1058 HydrophobicContact CG1-CD1 4.02Å; V1035-I1058 HydrophobicContact CG1-CG2 4.15Å; V1035-I1058 HydrophobicContact CG2-CD1 3.88Å; V1051-I1058 HydrophobicContact CG1-CG2 3.53Å; Q1052-I1058 CarbonylContact O-C 3.43Å; Q1052-I1058 WeakPolarHBondContact O-CA 3.32Å
1059	I	85.2	Confident	72.1	Confident	24 Å²	24	64.5 Å²	64.5	12%	0.123	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.7	180	-55.8	-178.2	0	0	0	108	C1011 K1013 V1051 Q1052 N1054 H1057 Q1061	C1011-I1059 HydrophobicContact CB-CG2 4.3Å; K1013-I1059 HydrophobicContact CG-CG1 4.36Å; V1051-I1059 WeakPolarHBondContact CA-O 3.41Å; Q1052-I1059 PolarHBondContact N-O 2.87Å; Q1052-I1059 PolarHBondContact O-N 2.74Å; N1054-I1059 WeakPolarHBondContact ND2-CD1 3.42Å; H1057-I1059 HydrophobicContact CB-CG1 4.44Å; I1059-Q1061 HydrophobicContact CG2-CB 4.41Å
1060	V	87	Confident	71.5	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.1	172.3	-171.3	0	0	0	0	108.2	L982 C1011 L1012 V1039 C1049 D1050 V1051	L982-V1060 HydrophobicContact CD2-CB 4.34Å; L982-V1060 HydrophobicContact CD2-CG1 3.87Å; L982-V1060 HydrophobicContact CD2-CG2 4.48Å; C1011-V1060 CarbonylContact C-O 3.58Å; C1011-V1060 WeakPolarHBondContact CA-O 3.34Å; C1011-V1060 VanDerWaalsContact CB-O 3.28Å; C1011-V1060 WeakPolarHBondContact CB-O 3.43Å; L1012-V1060 HydrophobicContact CB-CB 4.23Å; L1012-V1060 PolarHBondContact N-O 2.92Å; L1012-V1060 PolarHBondContact O-N 3.04Å; V1039-V1060 HydrophobicContact CG1-CG1 4.32Å; V1039-V1060 HydrophobicContact CG2-CG1 4.19Å; V1039-V1060 HydrophobicContact CG2-CG2 3.8Å; C1049-V1060 HydrophobicContact CB-CG1 4.05Å; D1050-V1060 WeakPolarHBondContact O-CA 3.28Å; V1051-V1060 HydrophobicContact CG1-CG2 4.45Å; V1051-V1060 HydrophobicContact CG2-CG1 4.4Å; V1051-V1060 HydrophobicContact CG2-CG2 4.27Å
1061	Q	82.1	Confident	71.2	Confident	56 Å²	56	71.8 Å²	71.8	26%	0.262	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	157.2	-174.8	65.7	-176.8	11.6	0	0	111.4	C1011 C1049 D1050 Q1052 I1059	C1011-Q1061 HydrophobicContact CB-CB 3.79Å; C1049-Q1061 CarbonylContact C-O 3.52Å; C1049-Q1061 WeakPolarHBondContact CA-O 3.39Å; C1049-Q1061 VanDerWaalsContact CB-O 3.28Å; C1049-Q1061 WeakPolarHBondContact CB-O 3.5Å; D1050-Q1061 PolarHBondContact N-O 3.16Å; D1050-Q1061 PolarHBondContact O-N 2.62Å; Q1052-Q1061 VanDerWaalsContact NE2-NE2 3.17Å; I1059-Q1061 HydrophobicContact CG2-CB 4.41Å
1062	M	75.5	Confident	71.2	Confident	55 Å²	55	71.6 Å²	71.6	27%	0.271	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	142.3	176.1	-65	-145.1	-48.7	0	0	112.3	F971 I975 Q1064	F971-M1062 HydrophobicContact CD1-CG 3.44Å; F971-M1062 VanDerWaalsContact CD1-CG 3.44Å; F971-M1062 HydrophobicContact CD1-SD 3.69Å; F971-M1062 HydrophobicContact CE1-CB 4.49Å; F971-M1062 HydrophobicContact CE1-CG 3.27Å; F971-M1062 HydrophobicContact CE1-SD 4.17Å; I975-M1062 HydrophobicContact CD1-SD 3.57Å; I975-M1062 VanDerWaalsContact CD1-SD 3.57Å; I975-M1062 HydrophobicContact CG2-SD 4.22Å; M1062-Q1064 PolarHBondContact O-N 3.17Å; M1062-Q1064 VanDerWaalsContact O-N 3.16Å
1063	K	72.7	Confident	71.5	Confident	88 Å²	88	68.4 Å²	68.4	38%	0.383	40%	0.395	S	S	.	.			trans	-65.5	109.8	166.1	-72.7	173.8	-174.4	161.7	0	108.6	S1046 S1047 L1048 C1049 D1050 S1065	S1046-K1063 PolarHBondContact O-NZ 2.91Å; S1047-K1063 WeakPolarHBondContact O-CD 3.21Å; S1047-K1063 PolarHBondContact O-NZ 2.84Å; L1048-K1063 WeakPolarHBondContact O-CB 3.23Å; L1048-K1063 PolarHBondContact O-N 2.92Å; C1049-K1063 WeakPolarHBondContact O-CE 3.41Å; D1050-K1063 HydrophobicContact CB-CG 4.41Å; D1050-K1063 VanDerWaalsContact CG-CG 3.5Å; D1050-K1063 WeakPolarHBondContact OD1-CE 3.42Å; D1050-K1063 WeakPolarHBondContact OD1-CG 3.39Å; K1063-S1065 PolarHBondContact O-N 3.38Å
1064	Q	58.8	Low	72	Confident	102 Å²	102	65.7 Å²	65.7	48%	0.477	38%	0.383	S	S	.	.			trans	-76.6	107.6	177.5	-70.1	-174	-16.6	0	0	109.9	M1062 G1066	M1062-Q1064 PolarHBondContact O-N 3.17Å; M1062-Q1064 VanDerWaalsContact O-N 3.16Å; Q1064-G1066 PolarHBondContact O-N 3.47Å
1065	S	42	Very low	72.7	Confident	131 Å²	131	64.8 Å²	64.8	92%	0.916	38%	0.378	S	S	*	.	S	Bend	trans	-82.3	87.7	165.3	41.2	0	0	0	0	109.6	K1063	K1063-S1065 PolarHBondContact O-N 3.38Å
1066	G	44.2	Very low	73.4	Confident	69 Å²	69	62.6 Å²	62.6	71%	0.711	36%	0.355	S	S	*	.	S	Bend	trans	134.3	-4.8	162.3	0	0	0	0	0	118.6	Q1064	Q1064-G1066 PolarHBondContact O-N 3.47Å
1067	L	44.7	Very low	74.1	Confident	123 Å²	123	60.1 Å²	60.1	64%	0.644	34%	0.34	S	S	*	.			trans	-93.4	105.9	169.4	-80.1	157.6	0	0	0	108.6	G1069	L1067-G1069 PolarHBondContact O-N 2.9Å
1068	N	48.1	Very low	74.3	Confident	185 Å²	185	59.6 Å²	59.6	99%	0.989	34%	0.343	S	S	*	.			trans	-69	28.5	-178.3	-83.6	-14.7	0	0	0	114.5
1069	G	57.7	Low	74.3	Confident	50 Å²	50	60.8 Å²	60.8	52%	0.515	35%	0.35	S	S	.	.	S	Bend	trans	-171.6	152.7	178.6	0	0	0	0	0	114.1	L1067	L1067-G1069 PolarHBondContact O-N 2.9Å
1070	K	68.9	Low	74.5	Confident	164 Å²	164	59.7 Å²	59.7	71%	0.713	34%	0.344	S	S	*	.			trans	-74.1	124.8	175.1	-175.3	177.4	-175.3	172.1	0	109.5	T1072	K1070-T1072 VanDerWaalsContact O-CG2 3.24Å; K1070-T1072 WeakPolarHBondContact O-CG2 3.42Å; K1070-T1072 PolarHBondContact O-N 3.12Å
1071	F	74.9	Confident	74.7	Confident	57 Å²	57	59.8 Å²	59.8	25%	0.25	35%	0.345	C	S	.	.			trans	-59	131.1	175.9	-163.9	-78.7	0	0	0	110.8	M951 Q953 D1075	M951-F1071 HydrophobicContact CB-CD1 4.33Å; M951-F1071 WeakPolarHBondContact O-CE1 3.23Å; M951-F1071 VanDerWaalsContact SD-O 3.38Å; Q953-F1071 HydrophobicContact CB-CE1 4.4Å; Q953-F1071 HydrophobicContact CB-CZ 4.47Å; Q953-F1071 HydrophobicContact CG-CD1 3.44Å; Q953-F1071 VanDerWaalsContact CG-CD1 3.44Å; Q953-F1071 HydrophobicContact CG-CD2 4.06Å; Q953-F1071 HydrophobicContact CG-CE1 3.19Å; Q953-F1071 HydrophobicContact CG-CE2 3.83Å; Q953-F1071 HydrophobicContact CG-CG 3.89Å; Q953-F1071 HydrophobicContact CG-CZ 3.39Å; F1071-D1075 HydrophobicContact CD1-CB 4.14Å; F1071-D1075 HydrophobicContact CD2-CB 3.87Å; F1071-D1075 HydrophobicContact CE1-CB 3.85Å; F1071-D1075 HydrophobicContact CE2-CB 3.6Å; F1071-D1075 HydrophobicContact CG-CB 4.14Å; F1071-D1075 HydrophobicContact CZ-CB 3.59Å
1072	T	85.7	Confident	75	Confident	35 Å²	35	64.8 Å²	64.8	22%	0.215	37%	0.368	C	S	.	.			trans	-125.3	173.5	-175.7	70.2	0	0	0	0	111.6	K1070 A1074 D1075 G1076 P1104	K1070-T1072 VanDerWaalsContact O-CG2 3.24Å; K1070-T1072 WeakPolarHBondContact O-CG2 3.42Å; K1070-T1072 PolarHBondContact O-N 3.12Å; T1072-A1074 PolarHBondContact O-N 3.46Å; T1072-A1074 WeakPolarHBondContact OG1-CB 3.49Å; T1072-A1074 PolarHBondContact OG1-N 3.02Å; T1072-D1075 WeakPolarHBondContact CA-OD2 3.4Å; T1072-D1075 PolarHBondContact N-OD2 3.36Å; T1072-D1075 PolarHBondContact O-N 3.22Å; T1072-D1075 VanDerWaalsContact O-N 3.13Å; T1072-D1075 PolarHBondContact OG1-OD2 2.9Å; T1072-G1076 PolarHBondContact O-N 2.85Å; T1072-P1104 HydrophobicContact CG2-CB 4.32Å; T1072-P1104 HydrophobicContact CG2-CG 4.21Å
1073	K	90.4	Very high	75.4	Confident	3 Å²	3	66.7 Å²	66.7	1%	0.013	38%	0.375	C	S	.	.	H	α-helix	trans	-62.2	-21.7	172.3	-71.2	-175.7	172.5	-166.1	0	113.2	S885 I924 M951 L1077 D1102 M1105	S885-K1073 PolarHBondContact OG-NZ 3.36Å; I924-K1073 HydrophobicContact CD1-CB 4.14Å; I924-K1073 HydrophobicContact CD1-CG 4.2Å; I924-K1073 HydrophobicContact CG1-CG 4.33Å; I924-K1073 HydrophobicContact CG2-CD 4.14Å; I924-K1073 PolarHBondContact O-NZ 3.3Å; M951-K1073 HydrophobicContact CB-CG 3.84Å; M951-K1073 HydrophobicContact CG-CG 4.06Å; K1073-L1077 VanDerWaalsContact O-CB 3.24Å; K1073-L1077 WeakPolarHBondContact O-CB 3.33Å; K1073-L1077 PolarHBondContact O-N 2.91Å; K1073-D1102 WeakPolarHBondContact CE-OD1 3.45Å; K1073-D1102 IonicContact NZ-OD1 3.26Å; K1073-D1102 PolarHBondContact NZ-OD1 3.26Å; K1073-M1105 HydrophobicContact CB-CB 3.9Å; K1073-M1105 HydrophobicContact CB-CG 4.15Å; K1073-M1105 HydrophobicContact CB-SD 4.43Å; K1073-M1105 HydrophobicContact CD-SD 4.16Å
1074	A	91.1	Very high	76	Confident	14 Å²	14	63.1 Å²	63.1	12%	0.116	36%	0.36	C	S	.	.	H	α-helix	trans	-63.9	-47.3	172.5	0	0	0	0	0	111	T1072 L1077 A1078 P1104 Y1108	T1072-A1074 PolarHBondContact O-N 3.46Å; T1072-A1074 WeakPolarHBondContact OG1-CB 3.49Å; T1072-A1074 PolarHBondContact OG1-N 3.02Å; A1074-L1077 PolarHBondContact O-N 2.56Å; A1074-A1078 WeakPolarHBondContact O-CB 3.28Å; A1074-A1078 PolarHBondContact O-N 3.36Å; A1074-P1104 HydrophobicContact CB-CB 3.9Å; A1074-P1104 WeakPolarHBondContact CB-O 3.46Å; A1074-Y1108 HydrophobicContact CB-CD2 4.47Å; A1074-Y1108 HydrophobicContact CB-CG 4.38Å
1075	D	89.6	Confident	77.3	Confident	67 Å²	67	61.6 Å²	61.6	36%	0.358	37%	0.372	S	S	.	.	H	α-helix	trans	-65.3	-43.5	-178.7	-51.8	-64.1	0	0	0	110.4	F1071 T1072 L1077 A1078 V1079	F1071-D1075 HydrophobicContact CD1-CB 4.14Å; F1071-D1075 HydrophobicContact CD2-CB 3.87Å; F1071-D1075 HydrophobicContact CE1-CB 3.85Å; F1071-D1075 HydrophobicContact CE2-CB 3.6Å; F1071-D1075 HydrophobicContact CG-CB 4.14Å; F1071-D1075 HydrophobicContact CZ-CB 3.59Å; T1072-D1075 WeakPolarHBondContact CA-OD2 3.4Å; T1072-D1075 PolarHBondContact N-OD2 3.36Å; T1072-D1075 PolarHBondContact O-N 3.22Å; T1072-D1075 VanDerWaalsContact O-N 3.13Å; T1072-D1075 PolarHBondContact OG1-OD2 2.9Å; D1075-L1077 PolarHBondContact O-N 3.36Å; D1075-A1078 WeakPolarHBondContact O-CB 3.19Å; D1075-A1078 PolarHBondContact O-N 3.34Å; D1075-V1079 WeakPolarHBondContact O-CG2 3.25Å; D1075-V1079 PolarHBondContact O-N 3.08Å
1076	G	89.6	Confident	79.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65	-37.9	175.7	0	0	0	0	0	113.8	M951 G952 W955 T1072 A1078 V1079 Y1080	M951-G1076 WeakPolarHBondContact O-CA 3.38Å; G952-G1076 WeakPolarHBondContact O-CA 3.41Å; W955-G1076 WeakPolarHBondContact CZ2-O 3.37Å; W955-G1076 PolarHBondContact NE1-O 2.88Å; T1072-G1076 PolarHBondContact O-N 2.85Å; G1076-A1078 VanDerWaalsContact C-N 3.32Å; G1076-V1079 PolarHBondContact O-N 3.19Å; G1076-Y1080 PolarHBondContact O-N 2.83Å
1077	L	92.2	Very high	81.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.5	-34.6	173.8	-172.2	59.2	0	0	0	111.6	F881 V883 K1073 A1074 D1075 Y1080 C1081 M1105 Y1108 L1109	F881-L1077 HydrophobicContact CE1-CD1 3.92Å; F881-L1077 HydrophobicContact CZ-CD1 3.82Å; V883-L1077 HydrophobicContact CG1-CD1 4.22Å; V883-L1077 HydrophobicContact CG1-CD2 4.21Å; V883-L1077 HydrophobicContact CG2-CD1 4.15Å; V883-L1077 HydrophobicContact CG2-CD2 4.47Å; K1073-L1077 VanDerWaalsContact O-CB 3.24Å; K1073-L1077 WeakPolarHBondContact O-CB 3.33Å; K1073-L1077 PolarHBondContact O-N 2.91Å; A1074-L1077 PolarHBondContact O-N 2.56Å; D1075-L1077 PolarHBondContact O-N 3.36Å; L1077-Y1080 WeakPolarHBondContact O-CB 3.42Å; L1077-Y1080 PolarHBondContact O-N 2.83Å; L1077-C1081 PolarHBondContact O-N 2.85Å; L1077-C1081 PolarHBondContact O-SG 3.22Å; L1077-C1081 VanDerWaalsContact O-SG 3.33Å; L1077-M1105 HydrophobicContact CD2-CB 4.2Å; L1077-Y1108 HydrophobicContact CB-CD1 4.35Å; L1077-Y1108 HydrophobicContact CB-CE1 4.45Å; L1077-Y1108 HydrophobicContact CD2-CD1 3.82Å; L1077-Y1108 HydrophobicContact CD2-CE1 4.25Å; L1077-Y1108 HydrophobicContact CG-CD1 4.07Å; L1077-Y1108 HydrophobicContact CG-CE1 4.06Å; L1077-L1109 HydrophobicContact CD2-CD1 4.06Å; L1077-L1109 HydrophobicContact CD2-CD2 3.95Å; L1077-L1109 HydrophobicContact CD2-CG 3.87Å
1078	A	91.4	Very high	83.1	Confident	29 Å²	29	52 Å²	52	24%	0.24	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-45.6	173.8	0	0	0	0	0	112	A1074 D1075 G1076 Y1080 C1081 E1082 Y1108	A1074-A1078 WeakPolarHBondContact O-CB 3.28Å; A1074-A1078 PolarHBondContact O-N 3.36Å; D1075-A1078 WeakPolarHBondContact O-CB 3.19Å; D1075-A1078 PolarHBondContact O-N 3.34Å; G1076-A1078 VanDerWaalsContact C-N 3.32Å; A1078-Y1080 VanDerWaalsContact C-N 3.3Å; A1078-Y1080 PolarHBondContact O-N 3.13Å; A1078-C1081 PolarHBondContact O-N 2.91Å; A1078-E1082 WeakPolarHBondContact O-CB 3.22Å; A1078-E1082 PolarHBondContact O-N 2.66Å; A1078-Y1108 WeakPolarHBondContact CA-OH 3.5Å; A1078-Y1108 HydrophobicContact CB-CD2 4.37Å; A1078-Y1108 HydrophobicContact CB-CE2 3.49Å; A1078-Y1108 VanDerWaalsContact CB-CE2 3.49Å
1079	V	88.4	Confident	84.6	Confident	25 Å²	25	45 Å²	45	15%	0.152	27%	0.273	C	S	.	.	H	α-helix	trans	-57.8	-43.7	174.1	168.3	0	0	0	0	111.1	Y965 D1075 G1076 K1083	Y965-V1079 HydrophobicContact CD1-CG1 4.3Å; Y965-V1079 HydrophobicContact CE1-CG1 3.48Å; Y965-V1079 VanDerWaalsContact CE1-CG1 3.48Å; D1075-V1079 WeakPolarHBondContact O-CG2 3.25Å; D1075-V1079 PolarHBondContact O-N 3.08Å; G1076-V1079 PolarHBondContact O-N 3.19Å; V1079-K1083 VanDerWaalsContact O-CB 3.3Å; V1079-K1083 WeakPolarHBondContact O-CB 3.42Å; V1079-K1083 PolarHBondContact O-N 2.86Å
1080	Y	90	Very high	85.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-52	175.2	179.7	-88.6	0	0	0	111.6	F881 V922 D946 W955 F957 G1076 L1077 A1078 E1082 K1083 M1084 I1086	F881-Y1080 HydrophobicContact CE2-CD1 4.2Å; F881-Y1080 AromaticContact CE2-CE1 3.59Å; F881-Y1080 HydrophobicContact CE2-CE1 3.59Å; F881-Y1080 AromaticContact CZ-CD1 3.78Å; F881-Y1080 HydrophobicContact CZ-CD1 3.78Å; F881-Y1080 AromaticContact CZ-CE1 3.66Å; F881-Y1080 HydrophobicContact CZ-CE1 3.66Å; V922-Y1080 HydrophobicContact CG2-CD1 3.89Å; V922-Y1080 HydrophobicContact CG2-CD2 4.02Å; V922-Y1080 HydrophobicContact CG2-CE1 3.37Å; V922-Y1080 HydrophobicContact CG2-CE2 3.56Å; V922-Y1080 HydrophobicContact CG2-CG 4.2Å; D946-Y1080 HydrophobicContact CB-CE2 3.64Å; D946-Y1080 WeakPolarHBondContact OD2-CE2 3.39Å; D946-Y1080 PolarHBondContact OD2-OH 3.03Å; W955-Y1080 AromaticContact CD2-CD2 3.91Å; W955-Y1080 HydrophobicContact CD2-CD2 3.91Å; W955-Y1080 AromaticContact CE3-CD2 3.53Å; W955-Y1080 HydrophobicContact CE3-CD2 3.53Å; W955-Y1080 HydrophobicContact CE3-CE2 4.15Å; W955-Y1080 HydrophobicContact CE3-CG 4.5Å; W955-Y1080 AromaticContact CH2-CD2 3.79Å; W955-Y1080 HydrophobicContact CH2-CD2 3.79Å; W955-Y1080 HydrophobicContact CH2-CG 4.04Å; W955-Y1080 HydrophobicContact CZ2-CD2 4.14Å; W955-Y1080 HydrophobicContact CZ2-CG 4.22Å; W955-Y1080 AromaticContact CZ3-CD2 3.46Å; W955-Y1080 HydrophobicContact CZ3-CD2 3.46Å; W955-Y1080 VanDerWaalsContact CZ3-CD2 3.46Å; W955-Y1080 HydrophobicContact CZ3-CE2 4.06Å; W955-Y1080 HydrophobicContact CZ3-CG 4.18Å; F957-Y1080 HydrophobicContact CD1-CD2 4.16Å; F957-Y1080 AromaticContact CD1-CE2 3.86Å; F957-Y1080 HydrophobicContact CD1-CE2 3.86Å; F957-Y1080 AromaticContact CE1-CD2 3.54Å; F957-Y1080 HydrophobicContact CE1-CD2 3.54Å; F957-Y1080 AromaticContact CE1-CE2 3.72Å; F957-Y1080 HydrophobicContact CE1-CE2 3.72Å; G1076-Y1080 PolarHBondContact O-N 2.83Å; L1077-Y1080 WeakPolarHBondContact O-CB 3.42Å; L1077-Y1080 PolarHBondContact O-N 2.83Å; A1078-Y1080 VanDerWaalsContact C-N 3.3Å; A1078-Y1080 PolarHBondContact O-N 3.13Å; Y1080-E1082 VanDerWaalsContact C-N 3.33Å; Y1080-E1082 PolarHBondContact O-N 2.92Å; Y1080-K1083 PolarHBondContact O-N 2.84Å; Y1080-M1084 HydrophobicContact CD1-CG 4.22Å; Y1080-M1084 HydrophobicContact CD2-CG 4.16Å; Y1080-M1084 HydrophobicContact CE1-CB 4.28Å; Y1080-M1084 HydrophobicContact CE1-CG 3.88Å; Y1080-M1084 HydrophobicContact CE2-CG 3.79Å; Y1080-M1084 HydrophobicContact CG-CG 4.33Å; Y1080-M1084 VanDerWaalsContact O-CB 3.23Å; Y1080-M1084 WeakPolarHBondContact O-CB 3.41Å; Y1080-M1084 VanDerWaalsContact O-CG 3.22Å; Y1080-M1084 WeakPolarHBondContact O-CG 3.46Å; Y1080-M1084 PolarHBondContact O-N 2.81Å; Y1080-I1086 HydrophobicContact CD1-CD1 4.04Å; Y1080-I1086 HydrophobicContact CE1-CD1 3.51Å
1081	C	90.2	Very high	86.2	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.02	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-42.4	-178.8	-70.8	0	0	0	0	112.1	L1077 A1078 M1084 G1085 I1086	L1077-C1081 PolarHBondContact O-N 2.85Å; L1077-C1081 PolarHBondContact O-SG 3.22Å; L1077-C1081 VanDerWaalsContact O-SG 3.33Å; A1078-C1081 PolarHBondContact O-N 2.91Å; C1081-M1084 PolarHBondContact O-N 3.35Å; C1081-G1085 PolarHBondContact O-N 2.89Å; C1081-I1086 HydrophobicContact CB-CB 4.12Å; C1081-I1086 PolarHBondContact O-N 3.13Å
1082	E	88.2	Confident	86.9	Confident	160 Å²	160	47.6 Å²	47.6	75%	0.748	27%	0.273	S	S	*	.	H	α-helix	trans	-61.1	-52	176.1	-176.7	-177.7	178.5	0	0	111.3	A1078 Y1080 M1084 G1085	A1078-E1082 WeakPolarHBondContact O-CB 3.22Å; A1078-E1082 PolarHBondContact O-N 2.66Å; Y1080-E1082 VanDerWaalsContact C-N 3.33Å; Y1080-E1082 PolarHBondContact O-N 2.92Å; E1082-M1084 PolarHBondContact O-N 3.27Å; E1082-G1085 PolarHBondContact O-N 2.84Å; E1082-G1085 VanDerWaalsContact O-N 3.16Å
1083	K	85	Confident	87.2	Confident	96 Å²	96	45.9 Å²	45.9	42%	0.417	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-34.9	-177.8	-170.2	63.7	174.1	179.3	0	112.5	F957 V1079 Y1080	F957-K1083 HydrophobicContact CE2-CG 3.98Å; F957-K1083 HydrophobicContact CZ-CB 4.26Å; F957-K1083 HydrophobicContact CZ-CG 3.85Å; V1079-K1083 VanDerWaalsContact O-CB 3.3Å; V1079-K1083 WeakPolarHBondContact O-CB 3.42Å; V1079-K1083 PolarHBondContact O-N 2.86Å; Y1080-K1083 PolarHBondContact O-N 2.84Å
1084	M	85.6	Confident	87.4	Confident	12 Å²	12	45.8 Å²	45.8	6%	0.059	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.3	-177.8	-63.6	-60.7	-71.3	0	0	113.5	R920 F957 S959 Q960 Y1080 C1081 E1082 I1086	R920-M1084 PolarHBondContact NH1-O 3.5Å; F957-M1084 HydrophobicContact CD1-CG 4.41Å; F957-M1084 HydrophobicContact CD1-SD 3.86Å; F957-M1084 HydrophobicContact CE1-CG 4.21Å; F957-M1084 HydrophobicContact CE1-SD 4.16Å; F957-M1084 HydrophobicContact CG-SD 4.43Å; S959-M1084 WeakPolarHBondContact OG-CE 3.47Å; Q960-M1084 HydrophobicContact CG-CE 4.14Å; Q960-M1084 HydrophobicContact CG-SD 4.23Å; Q960-M1084 PolarHBondContact NE2-SD 3.46Å; Q960-M1084 VanDerWaalsContact NE2-SD 3.41Å; Y1080-M1084 HydrophobicContact CD1-CG 4.22Å; Y1080-M1084 HydrophobicContact CD2-CG 4.16Å; Y1080-M1084 HydrophobicContact CE1-CB 4.28Å; Y1080-M1084 HydrophobicContact CE1-CG 3.88Å; Y1080-M1084 HydrophobicContact CE2-CG 3.79Å; Y1080-M1084 HydrophobicContact CG-CG 4.33Å; Y1080-M1084 VanDerWaalsContact O-CB 3.23Å; Y1080-M1084 WeakPolarHBondContact O-CB 3.41Å; Y1080-M1084 VanDerWaalsContact O-CG 3.22Å; Y1080-M1084 WeakPolarHBondContact O-CG 3.46Å; Y1080-M1084 PolarHBondContact O-N 2.81Å; C1081-M1084 PolarHBondContact O-N 3.35Å; E1082-M1084 PolarHBondContact O-N 3.27Å; M1084-I1086 HydrophobicContact CB-CD1 3.75Å; M1084-I1086 HydrophobicContact CB-CG1 3.82Å; M1084-I1086 PolarHBondContact O-N 3.23Å
1085	G	85.2	Confident	87.5	Confident	71 Å²	71	45.1 Å²	45.1	73%	0.732	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	34.8	-179.7	0	0	0	0	0	114.1	C1081 E1082	C1081-G1085 PolarHBondContact O-N 2.89Å; E1082-G1085 PolarHBondContact O-N 2.84Å; E1082-G1085 VanDerWaalsContact O-N 3.16Å
1086	I	84.4	Confident	87.8	Confident	20 Å²	20	41.9 Å²	41.9	10%	0.103	24%	0.24	C	C	.	.			trans	-93.7	122.7	-174.6	-58.7	174.1	0	0	0	110.6	F881 R920 Y1080 C1081 M1084 I1088	F881-I1086 HydrophobicContact CE2-CD1 4.28Å; F881-I1086 HydrophobicContact CZ-CD1 4.4Å; R920-I1086 VanDerWaalsContact NH1-CD1 3.33Å; Y1080-I1086 HydrophobicContact CD1-CD1 4.04Å; Y1080-I1086 HydrophobicContact CE1-CD1 3.51Å; C1081-I1086 HydrophobicContact CB-CB 4.12Å; C1081-I1086 PolarHBondContact O-N 3.13Å; M1084-I1086 HydrophobicContact CB-CD1 3.75Å; M1084-I1086 HydrophobicContact CB-CG1 3.82Å; M1084-I1086 PolarHBondContact O-N 3.23Å; I1086-I1088 HydrophobicContact CG2-CG1 4.45Å
1087	S	84.9	Confident	87.9	Confident	96 Å²	96	41.9 Å²	41.9	67%	0.671	24%	0.24	S	C	*	.			trans	-100.7	115.5	165.9	-174	0	0	0	0	110.2	G1089	S1087-G1089 VanDerWaalsContact C-N 3.27Å; S1087-G1089 PolarHBondContact O-N 3.49Å
1088	I	84.5	Confident	87.8	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.031	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-73.2	-19.5	-172.8	-60.5	168.8	0	0	0	112.4	I1086 Q1090 Q1091 V1093 Y1108 L1109 R1112 S1113	I1086-I1088 HydrophobicContact CG2-CG1 4.45Å; I1088-Q1090 PolarHBondContact O-N 2.85Å; I1088-Q1091 PolarHBondContact O-N 2.93Å; I1088-V1093 HydrophobicContact CG2-CG2 4.34Å; I1088-Y1108 HydrophobicContact CD1-CD1 4.14Å; I1088-Y1108 HydrophobicContact CD1-CE1 3.34Å; I1088-L1109 HydrophobicContact CD1-CD2 3.86Å; I1088-L1109 HydrophobicContact CG2-CD2 4.14Å; I1088-R1112 HydrophobicContact CB-CB 4.04Å; I1088-R1112 HydrophobicContact CG2-CB 4.01Å; I1088-S1113 WeakPolarHBondContact O-CB 3.29Å
1089	G	78.9	Confident	87.6	Confident	36 Å²	36	41.5 Å²	41.5	37%	0.371	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-49.6	-34.8	-163.6	0	0	0	0	0	116	S1087 S1113	S1087-G1089 VanDerWaalsContact C-N 3.27Å; S1087-G1089 PolarHBondContact O-N 3.49Å; G1089-S1113 PolarHBondContact O-OG 3.43Å
1090	Q	76	Confident	87.4	Confident	179 Å²	179	45.1 Å²	45.1	84%	0.836	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-122	8.9	-178.4	-65	-174.6	-24.1	0	0	114.2	I1088	I1088-Q1090 PolarHBondContact O-N 2.85Å
1091	Q	84.1	Confident	87	Confident	45 Å²	45	47.6 Å²	47.6	21%	0.21	27%	0.271	C	S	.	.			trans	-83.1	133.7	-176.8	-71.2	-164.4	-17.8	0	0	111.2	D880 I1088 V1093 N1116	D880-Q1091 HydrophobicContact CB-CB 3.83Å; D880-Q1091 HydrophobicContact CB-CG 3.92Å; D880-Q1091 WeakPolarHBondContact OD2-CA 3.42Å; I1088-Q1091 PolarHBondContact O-N 2.93Å; Q1091-V1093 HydrophobicContact CB-CG2 4.27Å; Q1091-V1093 WeakPolarHBondContact O-CG2 3.35Å; Q1091-V1093 PolarHBondContact O-N 2.98Å; Q1091-N1116 VanDerWaalsContact O-CB 3.24Å; Q1091-N1116 WeakPolarHBondContact O-CB 3.46Å
1092	K	89.6	Confident	87	Confident	102 Å²	102	47.5 Å²	47.5	44%	0.443	27%	0.27	S	S	.	.			trans	-71.8	111.9	167.3	-71.4	-179.5	-176.8	171.7	0	108.6	F879 D880 F881	F879-K1092 HydrophobicContact CD1-CB 4.19Å; D880-K1092 PolarHBondContact N-O 3.45Å; D880-K1092 PolarHBondContact OD2-N 3.4Å; F881-K1092 PolarHBondContact N-O 3.02Å
1093	V	92.4	Very high	87.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.5	-175.9	-171.5	0	0	0	0	110.6	F881 I1088 Q1091 L1109 N1116 V1117 S1118	F881-V1093 HydrophobicContact CB-CG1 4.44Å; F881-V1093 HydrophobicContact CB-CG2 4.23Å; F881-V1093 HydrophobicContact CD1-CG1 4.27Å; F881-V1093 HydrophobicContact CD1-CG2 4.47Å; F881-V1093 CarbonylContact O-C 3.47Å; F881-V1093 VanDerWaalsContact O-CA 3.26Å; F881-V1093 WeakPolarHBondContact O-CA 3.29Å; I1088-V1093 HydrophobicContact CG2-CG2 4.34Å; Q1091-V1093 HydrophobicContact CB-CG2 4.27Å; Q1091-V1093 WeakPolarHBondContact O-CG2 3.35Å; Q1091-V1093 PolarHBondContact O-N 2.98Å; V1093-L1109 HydrophobicContact CG1-CD1 3.87Å; V1093-L1109 HydrophobicContact CG1-CD2 4.12Å; V1093-L1109 HydrophobicContact CG2-CD2 4.49Å; V1093-N1116 PolarHBondContact N-O 3.42Å; V1093-V1117 HydrophobicContact CB-CG2 4.13Å; V1093-V1117 HydrophobicContact CG2-CG2 4.44Å; V1093-S1118 PolarHBondContact O-N 2.81Å
1094	L	93.4	Very high	87.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.3	163.5	179.3	62.9	0	0	0	108.6	I873 F879 F881 F882 V883 F913 S1118 V1120 L1157	I873-L1094 HydrophobicContact CG1-CD1 4.3Å; I873-L1094 HydrophobicContact CG1-CD2 4.14Å; F879-L1094 HydrophobicContact CD1-CB 3.71Å; F879-L1094 HydrophobicContact CD2-CB 4.08Å; F879-L1094 HydrophobicContact CD2-CD2 4.3Å; F879-L1094 HydrophobicContact CE1-CB 3.77Å; F879-L1094 HydrophobicContact CE2-CB 4.12Å; F879-L1094 HydrophobicContact CE2-CD2 4.02Å; F879-L1094 HydrophobicContact CG-CB 3.88Å; F879-L1094 HydrophobicContact CZ-CB 3.98Å; F879-L1094 HydrophobicContact CZ-CD1 4.36Å; F879-L1094 HydrophobicContact CZ-CD2 4.38Å; F879-L1094 HydrophobicContact CZ-CG 4.48Å; F881-L1094 PolarHBondContact O-N 2.98Å; F882-L1094 CarbonylContact C-O 3.57Å; F882-L1094 WeakPolarHBondContact CA-O 3.42Å; F882-L1094 HydrophobicContact CD2-CB 3.93Å; F882-L1094 HydrophobicContact CD2-CD2 3.77Å; F882-L1094 HydrophobicContact CD2-CG 3.8Å; F882-L1094 WeakPolarHBondContact CD2-O 3.38Å; F882-L1094 HydrophobicContact CE2-CD2 3.91Å; F882-L1094 HydrophobicContact CE2-CG 4.07Å; V883-L1094 PolarHBondContact N-O 3.45Å; F913-L1094 HydrophobicContact CE1-CD2 3.99Å; F913-L1094 HydrophobicContact CZ-CD2 3.86Å; L1094-S1118 CarbonylContact C-O 3.5Å; L1094-S1118 WeakPolarHBondContact CA-O 3.33Å; L1094-V1120 HydrophobicContact CD1-CG2 4.31Å; L1094-L1157 HydrophobicContact CD2-CD2 4.24Å
1095	V	94.6	Very high	87.8	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.4	176.9	65.8	0	0	0	0	112.3	V883 M1105 V1106 L1109 V1117 S1118 A1119 V1120	V883-V1095 HydrophobicContact CB-CG2 4.29Å; V883-V1095 HydrophobicContact CG1-CG2 4.45Å; V883-V1095 CarbonylContact O-C 3.5Å; V883-V1095 WeakPolarHBondContact O-CA 3.47Å; V1095-M1105 HydrophobicContact CG2-CE 3.93Å; V1095-M1105 HydrophobicContact CG2-SD 4.49Å; V1095-V1106 HydrophobicContact CG1-CG1 4.45Å; V1095-V1106 HydrophobicContact CG1-CG2 4.09Å; V1095-V1106 HydrophobicContact CG2-CG2 3.98Å; V1095-L1109 HydrophobicContact CB-CD1 3.83Å; V1095-L1109 HydrophobicContact CG1-CD1 4.3Å; V1095-L1109 HydrophobicContact CG2-CD1 3.86Å; V1095-V1117 HydrophobicContact CG1-CG1 3.85Å; V1095-S1118 PolarHBondContact N-O 3.16Å; V1095-A1119 HydrophobicContact CG1-CB 3.75Å; V1095-A1119 WeakPolarHBondContact O-CA 3.44Å; V1095-V1120 PolarHBondContact O-N 3.02Å; V1095-V1120 VanDerWaalsContact O-N 3.11Å
1096	C	95	Very high	88.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.2	179.3	-62.8	0	0	0	0	111.5	F882 V883 S885 T889 M1105 V1120 L1153	F882-C1096 HydrophobicContact CE2-CB 4.5Å; V883-C1096 PolarHBondContact O-N 2.85Å; S885-C1096 PolarHBondContact N-O 3.24Å; T889-C1096 HydrophobicContact CG2-CB 3.52Å; C1096-M1105 VanDerWaalsContact O-CE 3.25Å; C1096-M1105 WeakPolarHBondContact O-CE 3.44Å; C1096-V1120 WeakPolarHBondContact CA-O 3.22Å; C1096-L1153 HydrophobicContact CB-CD2 4.12Å
1097	G	93	Very high	88.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	173.7	179.6	0	0	0	0	0	112	V1120 W1121 V1122	G1097-V1120 PolarHBondContact N-O 2.94Å; G1097-W1121 CarbonylContact O-C 3.59Å; G1097-W1121 WeakPolarHBondContact O-CA 2.96Å; G1097-V1122 PolarHBondContact O-N 3.29Å
1098	S	89.9	Confident	89	Confident	4 Å²	4	33.5 Å²	33.5	3%	0.028	18%	0.179	C	C	.	.			trans	-137.2	-28.4	-177.4	55	0	0	0	0	112.9	Y887 G888 T889 D1102 W1121 V1122	Y887-S1098 PolarHBondContact O-OG 2.65Å; G888-S1098 WeakPolarHBondContact O-CB 3.47Å; T889-S1098 PolarHBondContact OG1-OG 3.25Å; S1098-D1102 PolarHBondContact N-OD2 3.07Å; S1098-D1102 PolarHBondContact OG-OD2 3.03Å; S1098-W1121 PolarHBondContact O-NE1 2.93Å; S1098-V1122 WeakPolarHBondContact CA-O 3.4Å; S1098-V1122 WeakPolarHBondContact CB-O 3.46Å
1099	S	86.2	Confident	89.5	Confident	17 Å²	17	33.2 Å²	33.2	12%	0.119	18%	0.177	C	C	.	.	S	Bend	trans	-128.9	161.8	-166.9	65.4	0	0	0	0	112.7	S1101 D1102 W1121	S1099-S1101 PolarHBondContact O-N 2.91Å; S1099-S1101 VanDerWaalsContact O-N 3.07Å; S1099-S1101 PolarHBondContact OG-OG 3.21Å; S1099-D1102 PolarHBondContact N-OD2 3.25Å; S1099-D1102 WeakPolarHBondContact O-CA 3.23Å; S1099-D1102 VanDerWaalsContact O-CB 3.24Å; S1099-D1102 WeakPolarHBondContact O-CB 3.35Å; S1099-D1102 PolarHBondContact O-N 3.31Å; S1099-D1102 PolarHBondContact OG-OD2 3.46Å; S1099-W1121 VanDerWaalsContact O-CZ2 3.22Å; S1099-W1121 WeakPolarHBondContact O-CZ2 3.47Å
1100	L	84.8	Confident	90.1	Very high	101 Å²	101	31.6 Å²	31.6	53%	0.529	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-57.6	-26	176.6	-66.5	174.1	0	0	0	113.2	D1102 L1103 V1128 A1131	L1100-D1102 PolarHBondContact O-N 3.29Å; L1100-L1103 HydrophobicContact CD2-CD2 4.48Å; L1100-L1103 WeakPolarHBondContact O-CB 3.21Å; L1100-L1103 PolarHBondContact O-N 2.95Å; L1100-L1103 VanDerWaalsContact O-N 3.13Å; L1100-V1128 HydrophobicContact CD2-CG1 4.15Å; L1100-V1128 HydrophobicContact CD2-CG2 4.42Å; L1100-V1128 HydrophobicContact CG-CG1 4.43Å; L1100-V1128 HydrophobicContact CG-CG2 4.18Å; L1100-A1131 HydrophobicContact CD2-CB 3.81Å
1101	S	82.5	Confident	90.9	Very high	52 Å²	52	25.8 Å²	25.8	36%	0.364	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-68.9	-16.4	173.6	56.5	0	0	0	0	114.3	S1099	S1099-S1101 PolarHBondContact O-N 2.91Å; S1099-S1101 VanDerWaalsContact O-N 3.07Å; S1099-S1101 PolarHBondContact OG-OG 3.21Å
1102	D	90.2	Very high	91.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-87.9	-14.4	174	-57.1	-43.4	0	0	0	111.7	S885 K1073 S1098 S1099 L1100 M1105 W1121	S885-D1102 WeakPolarHBondContact CB-OD1 3.4Å; S885-D1102 PolarHBondContact OG-OD1 2.92Å; K1073-D1102 WeakPolarHBondContact CE-OD1 3.45Å; K1073-D1102 IonicContact NZ-OD1 3.26Å; K1073-D1102 PolarHBondContact NZ-OD1 3.26Å; S1098-D1102 PolarHBondContact N-OD2 3.07Å; S1098-D1102 PolarHBondContact OG-OD2 3.03Å; S1099-D1102 PolarHBondContact N-OD2 3.25Å; S1099-D1102 WeakPolarHBondContact O-CA 3.23Å; S1099-D1102 VanDerWaalsContact O-CB 3.24Å; S1099-D1102 WeakPolarHBondContact O-CB 3.35Å; S1099-D1102 PolarHBondContact O-N 3.31Å; S1099-D1102 PolarHBondContact OG-OD2 3.46Å; L1100-D1102 PolarHBondContact O-N 3.29Å; D1102-M1105 HydrophobicContact CB-CE 3.87Å; D1102-M1105 WeakPolarHBondContact O-CG 3.36Å; D1102-M1105 PolarHBondContact O-N 3.2Å; D1102-W1121 HydrophobicContact CB-CH2 3.48Å; D1102-W1121 VanDerWaalsContact CB-CH2 3.48Å; D1102-W1121 HydrophobicContact CB-CZ2 4.09Å; D1102-W1121 HydrophobicContact CB-CZ3 4.19Å
1103	L	91.1	Very high	91.1	Very high	31 Å²	31	25.2 Å²	25.2	16%	0.162	13%	0.133	C	C	.	.	H	α-helix	trans	-62.1	-39.9	-175.9	-163.3	69.4	0	0	0	113.4	L1100 M1105 V1106 E1107 A1131 V1132 L1135	L1100-L1103 HydrophobicContact CD2-CD2 4.48Å; L1100-L1103 WeakPolarHBondContact O-CB 3.21Å; L1100-L1103 PolarHBondContact O-N 2.95Å; L1100-L1103 VanDerWaalsContact O-N 3.13Å; L1103-M1105 VanDerWaalsContact C-N 3.34Å; L1103-M1105 PolarHBondContact O-N 3.33Å; L1103-V1106 WeakPolarHBondContact O-CB 3.24Å; L1103-V1106 PolarHBondContact O-N 3.01Å; L1103-V1106 VanDerWaalsContact O-N 3.13Å; L1103-E1107 PolarHBondContact O-N 2.92Å; L1103-E1107 VanDerWaalsContact O-N 3.07Å; L1103-A1131 HydrophobicContact CD2-CB 4.36Å; L1103-V1132 HydrophobicContact CD1-CB 4.3Å; L1103-V1132 HydrophobicContact CD1-CG2 3.76Å; L1103-L1135 HydrophobicContact CD1-CB 4.34Å; L1103-L1135 HydrophobicContact CD1-CD2 3.55Å; L1103-L1135 HydrophobicContact CG-CD2 3.82Å
1104	P	91.8	Very high	90.7	Very high	36 Å²	36	26.7 Å²	26.7	23%	0.234	15%	0.146	C	C	.	.	H	α-helix	trans	-58.9	-38.8	178.4	-27.6	36.9	0	0	0	114.1	T1072 A1074 V1106 E1107 Y1108	T1072-P1104 HydrophobicContact CG2-CB 4.32Å; T1072-P1104 HydrophobicContact CG2-CG 4.21Å; A1074-P1104 HydrophobicContact CB-CB 3.9Å; A1074-P1104 WeakPolarHBondContact CB-O 3.46Å; P1104-V1106 VanDerWaalsContact C-N 3.27Å; P1104-V1106 PolarHBondContact O-N 3.29Å; P1104-E1107 PolarHBondContact O-N 3.42Å; P1104-Y1108 WeakPolarHBondContact O-CB 3.44Å; P1104-Y1108 PolarHBondContact O-N 3.4Å
1105	M	92.7	Very high	90.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-30.2	179.2	59.4	167	-163.6	0	0	112.3	V883 I924 K1073 L1077 V1095 C1096 D1102 L1103 L1109	V883-M1105 HydrophobicContact CG1-SD 4.06Å; I924-M1105 HydrophobicContact CG2-SD 3.73Å; K1073-M1105 HydrophobicContact CB-CB 3.9Å; K1073-M1105 HydrophobicContact CB-CG 4.15Å; K1073-M1105 HydrophobicContact CB-SD 4.43Å; K1073-M1105 HydrophobicContact CD-SD 4.16Å; L1077-M1105 HydrophobicContact CD2-CB 4.2Å; V1095-M1105 HydrophobicContact CG2-CE 3.93Å; V1095-M1105 HydrophobicContact CG2-SD 4.49Å; C1096-M1105 VanDerWaalsContact O-CE 3.25Å; C1096-M1105 WeakPolarHBondContact O-CE 3.44Å; D1102-M1105 HydrophobicContact CB-CE 3.87Å; D1102-M1105 WeakPolarHBondContact O-CG 3.36Å; D1102-M1105 PolarHBondContact O-N 3.2Å; L1103-M1105 VanDerWaalsContact C-N 3.34Å; L1103-M1105 PolarHBondContact O-N 3.33Å; M1105-L1109 VanDerWaalsContact O-CG 3.31Å; M1105-L1109 WeakPolarHBondContact O-CG 3.46Å; M1105-L1109 PolarHBondContact O-N 3.35Å
1106	V	91.8	Very high	90	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.9	-44.6	173.3	-179.9	0	0	0	0	110.7	V1095 L1103 P1104 Y1108 L1109 L1110 W1121 L1135 F1136	V1095-V1106 HydrophobicContact CG1-CG1 4.45Å; V1095-V1106 HydrophobicContact CG1-CG2 4.09Å; V1095-V1106 HydrophobicContact CG2-CG2 3.98Å; L1103-V1106 WeakPolarHBondContact O-CB 3.24Å; L1103-V1106 PolarHBondContact O-N 3.01Å; L1103-V1106 VanDerWaalsContact O-N 3.13Å; P1104-V1106 VanDerWaalsContact C-N 3.27Å; P1104-V1106 PolarHBondContact O-N 3.29Å; V1106-Y1108 VanDerWaalsContact C-N 3.29Å; V1106-Y1108 PolarHBondContact O-N 3.05Å; V1106-L1109 PolarHBondContact O-N 2.89Å; V1106-L1110 HydrophobicContact CG1-CD1 3.77Å; V1106-L1110 HydrophobicContact CG1-CG 4.21Å; V1106-L1110 WeakPolarHBondContact O-CB 3.32Å; V1106-L1110 WeakPolarHBondContact O-CG 3.39Å; V1106-L1110 PolarHBondContact O-N 2.7Å; V1106-W1121 HydrophobicContact CG2-CH2 4.3Å; V1106-W1121 HydrophobicContact CG2-CZ3 3.6Å; V1106-L1135 HydrophobicContact CB-CD2 4.14Å; V1106-L1135 HydrophobicContact CG1-CD2 4Å; V1106-F1136 HydrophobicContact CG1-CD2 4.42Å; V1106-F1136 HydrophobicContact CG1-CE2 3.5Å; V1106-F1136 HydrophobicContact CG1-CZ 3.79Å
1107	E	93.7	Very high	89.9	Confident	65 Å²	65	37.8 Å²	37.8	30%	0.304	20%	0.199	S	C	.	.	H	α-helix	trans	-61.5	-39.9	177.2	-176.8	159.7	-145.8	0	0	111.8	L1103 P1104 L1109 L1110 S1111 L1135 K1138 Y1139	L1103-E1107 PolarHBondContact O-N 2.92Å; L1103-E1107 VanDerWaalsContact O-N 3.07Å; P1104-E1107 PolarHBondContact O-N 3.42Å; E1107-L1109 VanDerWaalsContact C-N 3.3Å; E1107-L1109 PolarHBondContact O-N 2.85Å; E1107-L1110 PolarHBondContact O-N 2.88Å; E1107-S1111 WeakPolarHBondContact O-CB 3.24Å; E1107-S1111 PolarHBondContact O-N 3.34Å; E1107-S1111 PolarHBondContact O-OG 3.21Å; E1107-L1135 HydrophobicContact CB-CD1 3.89Å; E1107-L1135 HydrophobicContact CB-CD2 3.94Å; E1107-L1135 HydrophobicContact CG-CD1 3.89Å; E1107-K1138 IonicContact OE1-NZ 2.95Å; E1107-K1138 PolarHBondContact OE1-NZ 3.43Å; E1107-Y1139 HydrophobicContact CG-CE2 4.04Å; E1107-Y1139 PolarHBondContact OE1-OH 3.17Å
1108	Y	93.8	Very high	89.8	Confident	29 Å²	29	38.6 Å²	38.6	11%	0.114	21%	0.205	C	C	.	.	H	α-helix	trans	-57.7	-42	174.5	175.5	-94.3	0	0	0	112.8	A1074 L1077 A1078 I1088 P1104 V1106 S1111 R1112	A1074-Y1108 HydrophobicContact CB-CD2 4.47Å; A1074-Y1108 HydrophobicContact CB-CG 4.38Å; L1077-Y1108 HydrophobicContact CB-CD1 4.35Å; L1077-Y1108 HydrophobicContact CB-CE1 4.45Å; L1077-Y1108 HydrophobicContact CD2-CD1 3.82Å; L1077-Y1108 HydrophobicContact CD2-CE1 4.25Å; L1077-Y1108 HydrophobicContact CG-CD1 4.07Å; L1077-Y1108 HydrophobicContact CG-CE1 4.06Å; A1078-Y1108 WeakPolarHBondContact CA-OH 3.5Å; A1078-Y1108 HydrophobicContact CB-CD2 4.37Å; A1078-Y1108 HydrophobicContact CB-CE2 3.49Å; A1078-Y1108 VanDerWaalsContact CB-CE2 3.49Å; I1088-Y1108 HydrophobicContact CD1-CD1 4.14Å; I1088-Y1108 HydrophobicContact CD1-CE1 3.34Å; P1104-Y1108 WeakPolarHBondContact O-CB 3.44Å; P1104-Y1108 PolarHBondContact O-N 3.4Å; V1106-Y1108 VanDerWaalsContact C-N 3.29Å; V1106-Y1108 PolarHBondContact O-N 3.05Å; Y1108-S1111 PolarHBondContact O-OG 2.97Å; Y1108-R1112 VanDerWaalsContact CD2-NH1 3.26Å; Y1108-R1112 PolarHBondContact O-NH1 3.2Å; Y1108-R1112 PolarHBondContact OH-NE 3.11Å
1109	L	93.5	Very high	90	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-72.6	-47.7	177.9	-69.4	168.8	0	0	0	111.7	L1077 I1088 V1093 V1095 M1105 V1106 E1107 S1111 R1112 S1113 V1117	L1077-L1109 HydrophobicContact CD2-CD1 4.06Å; L1077-L1109 HydrophobicContact CD2-CD2 3.95Å; L1077-L1109 HydrophobicContact CD2-CG 3.87Å; I1088-L1109 HydrophobicContact CD1-CD2 3.86Å; I1088-L1109 HydrophobicContact CG2-CD2 4.14Å; V1093-L1109 HydrophobicContact CG1-CD1 3.87Å; V1093-L1109 HydrophobicContact CG1-CD2 4.12Å; V1093-L1109 HydrophobicContact CG2-CD2 4.49Å; V1095-L1109 HydrophobicContact CB-CD1 3.83Å; V1095-L1109 HydrophobicContact CG1-CD1 4.3Å; V1095-L1109 HydrophobicContact CG2-CD1 3.86Å; M1105-L1109 VanDerWaalsContact O-CG 3.31Å; M1105-L1109 WeakPolarHBondContact O-CG 3.46Å; M1105-L1109 PolarHBondContact O-N 3.35Å; V1106-L1109 PolarHBondContact O-N 2.89Å; E1107-L1109 VanDerWaalsContact C-N 3.3Å; E1107-L1109 PolarHBondContact O-N 2.85Å; L1109-S1111 VanDerWaalsContact C-N 3.33Å; L1109-S1111 PolarHBondContact O-N 3.27Å; L1109-R1112 PolarHBondContact O-N 2.9Å; L1109-R1112 VanDerWaalsContact O-N 3.09Å; L1109-S1113 PolarHBondContact O-N 3.39Å; L1109-V1117 HydrophobicContact CB-CG1 4.42Å; L1109-V1117 HydrophobicContact CB-CG2 3.87Å
1110	L	92.8	Very high	90.3	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-39.6	179.9	-76.2	172.3	0	0	0	112.6	V1106 E1107 R1112 A1114 V1117 L1135 F1136 Y1139 N1141	V1106-L1110 HydrophobicContact CG1-CD1 3.77Å; V1106-L1110 HydrophobicContact CG1-CG 4.21Å; V1106-L1110 WeakPolarHBondContact O-CB 3.32Å; V1106-L1110 WeakPolarHBondContact O-CG 3.39Å; V1106-L1110 PolarHBondContact O-N 2.7Å; E1107-L1110 PolarHBondContact O-N 2.88Å; L1110-R1112 PolarHBondContact O-N 3.3Å; L1110-A1114 VanDerWaalsContact O-CA 3.28Å; L1110-A1114 WeakPolarHBondContact O-CA 3.35Å; L1110-A1114 WeakPolarHBondContact O-CB 3.45Å; L1110-A1114 PolarHBondContact O-N 3.47Å; L1110-A1114 VanDerWaalsContact O-N 3.13Å; L1110-V1117 HydrophobicContact CD2-CB 3.97Å; L1110-V1117 HydrophobicContact CD2-CG1 4.08Å; L1110-V1117 HydrophobicContact CG-CG1 4.37Å; L1110-L1135 HydrophobicContact CD1-CD2 4.29Å; L1110-L1135 HydrophobicContact CD1-CG 4.03Å; L1110-F1136 HydrophobicContact CD1-CD1 4.27Å; L1110-F1136 HydrophobicContact CD1-CD2 4.23Å; L1110-F1136 HydrophobicContact CD1-CE1 4.23Å; L1110-F1136 HydrophobicContact CD1-CE2 4.22Å; L1110-F1136 HydrophobicContact CD1-CG 4.24Å; L1110-F1136 HydrophobicContact CD1-CZ 4.16Å; L1110-F1136 HydrophobicContact CD2-CD1 4.16Å; L1110-F1136 HydrophobicContact CD2-CE1 3.87Å; L1110-F1136 HydrophobicContact CD2-CZ 4.36Å; L1110-F1136 HydrophobicContact CG-CE1 4.49Å; L1110-Y1139 HydrophobicContact CB-CD1 4.33Å; L1110-Y1139 HydrophobicContact CB-CD2 3.79Å; L1110-Y1139 HydrophobicContact CB-CE2 4.25Å; L1110-Y1139 HydrophobicContact CB-CG 3.84Å; L1110-Y1139 HydrophobicContact CD1-CD2 4.03Å; L1110-N1141 HydrophobicContact CD2-CB 3.99Å; L1110-N1141 WeakPolarHBondContact CD2-ND2 3.38Å
1111	S	91.8	Very high	90.8	Very high	58 Å²	58	32.8 Å²	32.8	41%	0.406	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.1	177.5	60.9	0	0	0	0	114	E1107 Y1108 L1109	E1107-S1111 WeakPolarHBondContact O-CB 3.24Å; E1107-S1111 PolarHBondContact O-N 3.34Å; E1107-S1111 PolarHBondContact O-OG 3.21Å; Y1108-S1111 PolarHBondContact O-OG 2.97Å; L1109-S1111 VanDerWaalsContact C-N 3.33Å; L1109-S1111 PolarHBondContact O-N 3.27Å
1112	R	90.6	Very high	91.2	Very high	127 Å²	127	30.7 Å²	30.7	48%	0.479	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-31.2	-178.5	-73	169.8	170.1	67.4	2.8	113.6	I1088 Y1108 L1109 L1110	I1088-R1112 HydrophobicContact CB-CB 4.04Å; I1088-R1112 HydrophobicContact CG2-CB 4.01Å; Y1108-R1112 VanDerWaalsContact CD2-NH1 3.26Å; Y1108-R1112 PolarHBondContact O-NH1 3.2Å; Y1108-R1112 PolarHBondContact OH-NE 3.11Å; L1109-R1112 PolarHBondContact O-N 2.9Å; L1109-R1112 VanDerWaalsContact O-N 3.09Å; L1110-R1112 PolarHBondContact O-N 3.3Å
1113	S	86.9	Confident	90.8	Very high	7 Å²	7	33.1 Å²	33.1	5%	0.049	17%	0.169	C	C	.	.			trans	-147.3	72.8	177.5	-156.5	0	0	0	0	110.7	I1088 G1089 L1109 E1115 N1116 V1117	I1088-S1113 WeakPolarHBondContact O-CB 3.29Å; G1089-S1113 PolarHBondContact O-OG 3.43Å; L1109-S1113 PolarHBondContact O-N 3.39Å; S1113-E1115 VanDerWaalsContact C-N 3.26Å; S1113-E1115 PolarHBondContact O-N 3.34Å; S1113-N1116 PolarHBondContact O-N 2.77Å; S1113-N1116 WeakPolarHBondContact OG-CB 3.41Å; S1113-N1116 PolarHBondContact OG-ND2 3.41Å; S1113-V1117 WeakPolarHBondContact O-CG2 3.24Å; S1113-V1117 PolarHBondContact O-N 2.97Å
1114	A	84.7	Confident	89.9	Confident	32 Å²	32	35.5 Å²	35.5	26%	0.264	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-39.2	-174.5	0	0	0	0	0	112.7	L1110 N1141	L1110-A1114 VanDerWaalsContact O-CA 3.28Å; L1110-A1114 WeakPolarHBondContact O-CA 3.35Å; L1110-A1114 WeakPolarHBondContact O-CB 3.45Å; L1110-A1114 PolarHBondContact O-N 3.47Å; L1110-A1114 VanDerWaalsContact O-N 3.13Å; A1114-N1141 WeakPolarHBondContact O-CB 3.34Å; A1114-N1141 PolarHBondContact O-ND2 3.39Å
1115	E	85.4	Confident	89.4	Confident	176 Å²	176	37.4 Å²	37.4	82%	0.822	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-24.5	-174.9	-62.8	-178	175.3	0	0	114.1	S1113	S1113-E1115 VanDerWaalsContact C-N 3.26Å; S1113-E1115 PolarHBondContact O-N 3.34Å
1116	N	88.8	Confident	89	Confident	57 Å²	57	42.8 Å²	42.8	31%	0.305	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	2	-171	-60.5	-54	0	0	0	114.5	Q1091 V1093 S1113	Q1091-N1116 VanDerWaalsContact O-CB 3.24Å; Q1091-N1116 WeakPolarHBondContact O-CB 3.46Å; V1093-N1116 PolarHBondContact N-O 3.42Å; S1113-N1116 PolarHBondContact O-N 2.77Å; S1113-N1116 WeakPolarHBondContact OG-CB 3.41Å; S1113-N1116 PolarHBondContact OG-ND2 3.41Å
1117	V	91.7	Very high	88.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.3	178.8	174.3	0	0	0	0	109.8	V1093 V1095 L1109 L1110 S1113 F1136 N1141 S1143	V1093-V1117 HydrophobicContact CB-CG2 4.13Å; V1093-V1117 HydrophobicContact CG2-CG2 4.44Å; V1095-V1117 HydrophobicContact CG1-CG1 3.85Å; L1109-V1117 HydrophobicContact CB-CG1 4.42Å; L1109-V1117 HydrophobicContact CB-CG2 3.87Å; L1110-V1117 HydrophobicContact CD2-CB 3.97Å; L1110-V1117 HydrophobicContact CD2-CG1 4.08Å; L1110-V1117 HydrophobicContact CG-CG1 4.37Å; S1113-V1117 WeakPolarHBondContact O-CG2 3.24Å; S1113-V1117 PolarHBondContact O-N 2.97Å; V1117-F1136 HydrophobicContact CG1-CZ 4.44Å; V1117-N1141 PolarHBondContact O-ND2 3.46Å; V1117-S1143 WeakPolarHBondContact O-CB 3.46Å
1118	S	92.2	Very high	88.2	Confident	17 Å²	17	46.8 Å²	46.8	12%	0.119	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.5	169.5	-66	0	0	0	0	109.8	V1093 L1094 V1095 S1143	V1093-S1118 PolarHBondContact O-N 2.81Å; L1094-S1118 CarbonylContact C-O 3.5Å; L1094-S1118 WeakPolarHBondContact CA-O 3.33Å; V1095-S1118 PolarHBondContact N-O 3.16Å; S1118-S1143 CarbonylContact C-O 3.52Å; S1118-S1143 WeakPolarHBondContact CA-O 3.31Å
1119	A	93	Very high	88	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.6	178.1	0	0	0	0	0	114.4	L872 V1095 F1136 S1143 L1144 A1145	L872-A1119 VanDerWaalsContact CD1-O 3.26Å; L872-A1119 WeakPolarHBondContact CD1-O 3.38Å; V1095-A1119 HydrophobicContact CG1-CB 3.75Å; V1095-A1119 WeakPolarHBondContact O-CA 3.44Å; A1119-F1136 HydrophobicContact CB-CE1 4.22Å; A1119-F1136 HydrophobicContact CB-CE2 3.72Å; A1119-F1136 HydrophobicContact CB-CZ 3.29Å; A1119-S1143 PolarHBondContact N-O 3.25Å; A1119-L1144 HydrophobicContact CB-CD1 3.92Å; A1119-L1144 WeakPolarHBondContact O-CA 3.48Å; A1119-A1145 PolarHBondContact O-N 3.41Å
1120	V	93.2	Very high	87.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.9	165.7	-175.1	0	0	0	0	108.5	A869 I873 L1094 V1095 C1096 G1097 A1145 V1147 L1153	A869-V1120 HydrophobicContact CB-CG1 4.12Å; A869-V1120 HydrophobicContact CB-CG2 4.28Å; I873-V1120 HydrophobicContact CD1-CG2 4.36Å; I873-V1120 HydrophobicContact CG1-CG2 4.35Å; L1094-V1120 HydrophobicContact CD1-CG2 4.31Å; V1095-V1120 PolarHBondContact O-N 3.02Å; V1095-V1120 VanDerWaalsContact O-N 3.11Å; C1096-V1120 WeakPolarHBondContact CA-O 3.22Å; G1097-V1120 PolarHBondContact N-O 2.94Å; V1120-A1145 WeakPolarHBondContact CA-O 3.44Å; V1120-V1147 HydrophobicContact CG1-CG1 3.94Å; V1120-V1147 HydrophobicContact CG1-CG2 3.99Å; V1120-L1153 HydrophobicContact CB-CD1 4.06Å; V1120-L1153 HydrophobicContact CG1-CD1 3.83Å
1121	W	94	Very high	87.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.9	-174.5	-156.5	-89.7	0	0	0	111.5	G1097 S1098 S1099 D1102 V1106 E1123 V1132 L1144 A1145 F1146 V1147	G1097-W1121 CarbonylContact O-C 3.59Å; G1097-W1121 WeakPolarHBondContact O-CA 2.96Å; S1098-W1121 PolarHBondContact O-NE1 2.93Å; S1099-W1121 VanDerWaalsContact O-CZ2 3.22Å; S1099-W1121 WeakPolarHBondContact O-CZ2 3.47Å; D1102-W1121 HydrophobicContact CB-CH2 3.48Å; D1102-W1121 VanDerWaalsContact CB-CH2 3.48Å; D1102-W1121 HydrophobicContact CB-CZ2 4.09Å; D1102-W1121 HydrophobicContact CB-CZ3 4.19Å; V1106-W1121 HydrophobicContact CG2-CH2 4.3Å; V1106-W1121 HydrophobicContact CG2-CZ3 3.6Å; W1121-E1123 PolarHBondContact O-N 3.03Å; W1121-V1132 HydrophobicContact CD2-CG1 4.24Å; W1121-V1132 HydrophobicContact CD2-CG2 3.77Å; W1121-V1132 VanDerWaalsContact CE2-CG2 3.47Å; W1121-V1132 HydrophobicContact CE3-CG1 4.35Å; W1121-V1132 HydrophobicContact CE3-CG2 4.35Å; W1121-V1132 HydrophobicContact CG-CG1 4.4Å; W1121-V1132 HydrophobicContact CG-CG2 4.13Å; W1121-V1132 HydrophobicContact CH2-CG2 4.23Å; W1121-V1132 HydrophobicContact CZ2-CG2 3.69Å; W1121-L1144 HydrophobicContact CB-CD1 4.32Å; W1121-A1145 PolarHBondContact N-O 2.92Å; W1121-F1146 HydrophobicContact CB-CD1 3.78Å; W1121-F1146 HydrophobicContact CB-CE1 3.84Å; W1121-F1146 HydrophobicContact CG-CD1 4.36Å; W1121-F1146 HydrophobicContact CG-CE1 4.14Å; W1121-F1146 WeakPolarHBondContact O-CA 3.24Å; W1121-V1147 PolarHBondContact O-N 3.5Å
1122	V	91	Very high	87.7	Confident	7 Å²	7	53.6 Å²	53.6	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	86.6	-176.3	-170.5	0	0	0	0	109.5	G888 T889 G1097 S1098 V1147 F1149 P1150 L1153	G888-V1122 WeakPolarHBondContact O-CB 3.08Å; G888-V1122 VanDerWaalsContact O-CG1 3.32Å; G888-V1122 WeakPolarHBondContact O-CG1 3.43Å; T889-V1122 HydrophobicContact CG2-CG2 4.1Å; G1097-V1122 PolarHBondContact O-N 3.29Å; S1098-V1122 WeakPolarHBondContact CA-O 3.4Å; S1098-V1122 WeakPolarHBondContact CB-O 3.46Å; V1122-V1147 CarbonylContact C-O 3.54Å; V1122-V1147 WeakPolarHBondContact CA-O 3.33Å; V1122-V1147 HydrophobicContact CB-CG2 4.11Å; V1122-V1147 HydrophobicContact CG1-CG2 4.24Å; V1122-V1147 HydrophobicContact CG2-CG2 3.65Å; V1122-F1149 VanDerWaalsContact CG1-C 3.49Å; V1122-P1150 HydrophobicContact CG1-CG 4.04Å; V1122-L1153 HydrophobicContact CG2-CB 4.24Å; V1122-L1153 HydrophobicContact CG2-CD2 3.89Å
1123	E	82.2	Confident	87.8	Confident	52 Å²	52	49.3 Å²	49.3	24%	0.243	27%	0.269	C	S	.	.			trans	-162.2	141.5	-179.9	-172.8	48.2	-93.9	0	0	111.1	W1121 N1125 V1128 R1129 V1147	W1121-E1123 PolarHBondContact O-N 3.03Å; E1123-N1125 HydrophobicContact CG-CB 3.94Å; E1123-N1125 WeakPolarHBondContact OE1-CB 3.22Å; E1123-N1125 PolarHBondContact OE1-N 3.4Å; E1123-V1128 HydrophobicContact CG-CB 3.78Å; E1123-V1128 HydrophobicContact CG-CG1 3.93Å; E1123-V1128 HydrophobicContact CG-CG2 4.21Å; E1123-R1129 VanDerWaalsContact O-CZ 3.22Å; E1123-R1129 PolarHBondContact O-NE 2.88Å; E1123-R1129 PolarHBondContact O-NH2 3.21Å; E1123-V1147 PolarHBondContact N-O 3Å
1124	S	73.5	Confident	88.1	Confident	82 Å²	82	51.5 Å²	51.5	57%	0.573	28%	0.284	S	S	*	.			trans	-100	-20.5	174.2	60.5	0	0	0	0	112.5	V1126	S1124-V1126 PolarHBondContact O-N 3.31Å
1125	N	81.1	Confident	88.5	Confident	75 Å²	75	50.6 Å²	50.6	40%	0.401	28%	0.275	S	S	.	.			trans	-64.6	120.3	-179.5	-169.6	-52	0	0	0	112.9	E1123 L1127 V1128 R1129	E1123-N1125 HydrophobicContact CG-CB 3.94Å; E1123-N1125 WeakPolarHBondContact OE1-CB 3.22Å; E1123-N1125 PolarHBondContact OE1-N 3.4Å; N1125-L1127 VanDerWaalsContact C-N 3.31Å; N1125-L1127 PolarHBondContact O-N 2.89Å; N1125-L1127 WeakPolarHBondContact OD1-CB 3.37Å; N1125-L1127 PolarHBondContact OD1-N 2.69Å; N1125-V1128 HydrophobicContact CB-CB 4.45Å; N1125-V1128 HydrophobicContact CB-CG2 4.08Å; N1125-V1128 PolarHBondContact O-N 3.33Å; N1125-R1129 WeakPolarHBondContact O-CG 3.45Å; N1125-R1129 PolarHBondContact O-N 2.87Å
1126	V	82.9	Confident	88.9	Confident	113 Å²	113	42.4 Å²	42.4	69%	0.685	24%	0.237	S	C	*	.	H	α-helix	trans	-59.4	-37	-177.1	179.6	0	0	0	0	112.9	S1124 R1129 H1130	S1124-V1126 PolarHBondContact O-N 3.31Å; V1126-R1129 PolarHBondContact O-N 2.75Å; V1126-H1130 WeakPolarHBondContact O-CB 3.34Å; V1126-H1130 PolarHBondContact O-N 2.69Å
1127	L	83.4	Confident	89.1	Confident	136 Å²	136	46.6 Å²	46.6	71%	0.712	25%	0.252	S	S	*	.	H	α-helix	trans	-67.7	-42.1	-178.7	-63.4	175.8	0	0	0	111.5	N1125 H1130 A1131	N1125-L1127 VanDerWaalsContact C-N 3.31Å; N1125-L1127 PolarHBondContact O-N 2.89Å; N1125-L1127 WeakPolarHBondContact OD1-CB 3.37Å; N1125-L1127 PolarHBondContact OD1-N 2.69Å; L1127-H1130 PolarHBondContact O-N 3.18Å; L1127-A1131 PolarHBondContact O-N 3.31Å
1128	V	85.3	Confident	89.2	Confident	13 Å²	13	53 Å²	53	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-66.5	-43.9	176.4	-175.9	0	0	0	0	109.9	L1100 E1123 N1125 H1130 A1131 V1132	L1100-V1128 HydrophobicContact CD2-CG1 4.15Å; L1100-V1128 HydrophobicContact CD2-CG2 4.42Å; L1100-V1128 HydrophobicContact CG-CG1 4.43Å; L1100-V1128 HydrophobicContact CG-CG2 4.18Å; E1123-V1128 HydrophobicContact CG-CB 3.78Å; E1123-V1128 HydrophobicContact CG-CG1 3.93Å; E1123-V1128 HydrophobicContact CG-CG2 4.21Å; N1125-V1128 HydrophobicContact CB-CB 4.45Å; N1125-V1128 HydrophobicContact CB-CG2 4.08Å; N1125-V1128 PolarHBondContact O-N 3.33Å; V1128-H1130 VanDerWaalsContact C-N 3.28Å; V1128-H1130 PolarHBondContact O-N 3.24Å; V1128-A1131 PolarHBondContact O-N 2.93Å; V1128-V1132 HydrophobicContact CG1-CG2 4.36Å; V1128-V1132 VanDerWaalsContact O-CG2 3.29Å; V1128-V1132 WeakPolarHBondContact O-CG2 3.43Å; V1128-V1132 PolarHBondContact O-N 3.32Å
1129	R	89.6	Confident	89.3	Confident	72 Å²	72	55.3 Å²	55.3	27%	0.272	29%	0.287	S	S	.	.	H	α-helix	trans	-57.4	-41.9	174.6	-68.5	-172.4	172.5	-170.4	-4.2	112	E1123 N1125 V1126 T1133 F1146	E1123-R1129 VanDerWaalsContact O-CZ 3.22Å; E1123-R1129 PolarHBondContact O-NE 2.88Å; E1123-R1129 PolarHBondContact O-NH2 3.21Å; N1125-R1129 WeakPolarHBondContact O-CG 3.45Å; N1125-R1129 PolarHBondContact O-N 2.87Å; V1126-R1129 PolarHBondContact O-N 2.75Å; R1129-T1133 VanDerWaalsContact O-CB 3.29Å; R1129-T1133 WeakPolarHBondContact O-CB 3.2Å; R1129-T1133 PolarHBondContact O-N 3Å; R1129-T1133 PolarHBondContact O-OG1 2.86Å; R1129-F1146 HydrophobicContact CB-CD1 4.33Å; R1129-F1146 HydrophobicContact CB-CE1 3.86Å; R1129-F1146 HydrophobicContact CB-CE2 4.41Å; R1129-F1146 HydrophobicContact CB-CZ 3.89Å; R1129-F1146 HydrophobicContact CG-CD1 3.64Å; R1129-F1146 HydrophobicContact CG-CE1 3.63Å; R1129-F1146 HydrophobicContact CG-CG 4.17Å; R1129-F1146 HydrophobicContact CG-CZ 4.13Å; R1129-F1146 WeakPolarHBondContact O-CZ 3.47Å
1130	H	90.3	Very high	89.1	Confident	128 Å²	128	58.5 Å²	58.5	59%	0.593	32%	0.319	S	S	*	.	H	α-helix	trans	-63.6	-46.9	176.6	-173.1	80.4	0	0	0	111.5	V1126 L1127 V1128 V1132 T1133 S1134	V1126-H1130 WeakPolarHBondContact O-CB 3.34Å; V1126-H1130 PolarHBondContact O-N 2.69Å; L1127-H1130 PolarHBondContact O-N 3.18Å; V1128-H1130 VanDerWaalsContact C-N 3.28Å; V1128-H1130 PolarHBondContact O-N 3.24Å; H1130-V1132 PolarHBondContact O-N 3.47Å; H1130-T1133 PolarHBondContact O-N 3.3Å; H1130-S1134 PolarHBondContact NE2-OG 2.8Å; H1130-S1134 WeakPolarHBondContact O-CB 3.31Å; H1130-S1134 PolarHBondContact O-N 2.67Å; H1130-S1134 PolarHBondContact O-OG 2.85Å; H1130-S1134 VanDerWaalsContact O-OG 3.05Å
1131	A	90.3	Very high	88.9	Confident	31 Å²	31	58.9 Å²	58.9	26%	0.256	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-45.7	178.1	0	0	0	0	0	112.4	L1100 L1103 L1127 V1128 S1134 L1135	L1100-A1131 HydrophobicContact CD2-CB 3.81Å; L1103-A1131 HydrophobicContact CD2-CB 4.36Å; L1127-A1131 PolarHBondContact O-N 3.31Å; V1128-A1131 PolarHBondContact O-N 2.93Å; A1131-S1134 PolarHBondContact O-N 3.22Å; A1131-L1135 PolarHBondContact O-N 3.1Å
1132	V	91.9	Very high	88.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-64.4	-45.6	177.3	179.8	0	0	0	0	110.7	L1103 W1121 V1128 H1130 S1134 L1135 F1136 L1144 F1146	L1103-V1132 HydrophobicContact CD1-CB 4.3Å; L1103-V1132 HydrophobicContact CD1-CG2 3.76Å; W1121-V1132 HydrophobicContact CD2-CG1 4.24Å; W1121-V1132 HydrophobicContact CD2-CG2 3.77Å; W1121-V1132 VanDerWaalsContact CE2-CG2 3.47Å; W1121-V1132 HydrophobicContact CE3-CG1 4.35Å; W1121-V1132 HydrophobicContact CE3-CG2 4.35Å; W1121-V1132 HydrophobicContact CG-CG1 4.4Å; W1121-V1132 HydrophobicContact CG-CG2 4.13Å; W1121-V1132 HydrophobicContact CH2-CG2 4.23Å; W1121-V1132 HydrophobicContact CZ2-CG2 3.69Å; V1128-V1132 HydrophobicContact CG1-CG2 4.36Å; V1128-V1132 VanDerWaalsContact O-CG2 3.29Å; V1128-V1132 WeakPolarHBondContact O-CG2 3.43Å; V1128-V1132 PolarHBondContact O-N 3.32Å; H1130-V1132 PolarHBondContact O-N 3.47Å; V1132-S1134 VanDerWaalsContact C-N 3.34Å; V1132-S1134 PolarHBondContact O-N 2.88Å; V1132-L1135 WeakPolarHBondContact O-CB 3.3Å; V1132-L1135 PolarHBondContact O-N 3.49Å; V1132-F1136 HydrophobicContact CG1-CD2 3.97Å; V1132-F1136 HydrophobicContact CG1-CE2 4.11Å; V1132-F1136 WeakPolarHBondContact O-CD2 3.28Å; V1132-F1136 PolarHBondContact O-N 3.1Å; V1132-L1144 HydrophobicContact CG1-CD1 3.74Å; V1132-L1144 HydrophobicContact CG1-CD2 3.85Å; V1132-L1144 HydrophobicContact CG1-CG 4.46Å; V1132-F1146 HydrophobicContact CB-CE1 4.27Å; V1132-F1146 HydrophobicContact CB-CZ 4.22Å; V1132-F1146 HydrophobicContact CG1-CE1 4.35Å; V1132-F1146 HydrophobicContact CG1-CZ 4.3Å
1133	T	92.7	Very high	88.6	Confident	38 Å²	38	66.9 Å²	66.9	23%	0.233	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-43.5	178.8	-57.3	0	0	0	0	111.6	R1129 H1130 L1135 F1136 K1137 F1146	R1129-T1133 VanDerWaalsContact O-CB 3.29Å; R1129-T1133 WeakPolarHBondContact O-CB 3.2Å; R1129-T1133 PolarHBondContact O-N 3Å; R1129-T1133 PolarHBondContact O-OG1 2.86Å; H1130-T1133 PolarHBondContact O-N 3.3Å; T1133-L1135 VanDerWaalsContact C-N 3.31Å; T1133-L1135 PolarHBondContact O-N 3.4Å; T1133-F1136 PolarHBondContact O-N 3.43Å; T1133-K1137 HydrophobicContact CG2-CD 4.22Å; T1133-K1137 HydrophobicContact CG2-CG 4.49Å; T1133-K1137 WeakPolarHBondContact O-CB 3.24Å; T1133-K1137 WeakPolarHBondContact O-CG 3.03Å; T1133-K1137 PolarHBondContact O-N 2.95Å; T1133-F1146 WeakPolarHBondContact OG1-CZ 3.24Å
1134	S	93.1	Very high	89	Confident	53 Å²	53	66 Å²	66	37%	0.371	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-36.9	177.6	-67.4	0	0	0	0	111.8	H1130 A1131 V1132 K1138	H1130-S1134 PolarHBondContact NE2-OG 2.8Å; H1130-S1134 WeakPolarHBondContact O-CB 3.31Å; H1130-S1134 PolarHBondContact O-N 2.67Å; H1130-S1134 PolarHBondContact O-OG 2.85Å; H1130-S1134 VanDerWaalsContact O-OG 3.05Å; A1131-S1134 PolarHBondContact O-N 3.22Å; V1132-S1134 VanDerWaalsContact C-N 3.34Å; V1132-S1134 PolarHBondContact O-N 2.88Å; S1134-K1138 WeakPolarHBondContact O-CB 3.15Å; S1134-K1138 PolarHBondContact O-N 3.13Å
1135	L	93.2	Very high	89.9	Confident	13 Å²	13	62.5 Å²	62.5	7%	0.068	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-47.7	173.6	-178.9	66.9	0	0	0	111.9	L1103 V1106 E1107 L1110 A1131 V1132 T1133 K1137 K1138 Y1139	L1103-L1135 HydrophobicContact CD1-CB 4.34Å; L1103-L1135 HydrophobicContact CD1-CD2 3.55Å; L1103-L1135 HydrophobicContact CG-CD2 3.82Å; V1106-L1135 HydrophobicContact CB-CD2 4.14Å; V1106-L1135 HydrophobicContact CG1-CD2 4Å; E1107-L1135 HydrophobicContact CB-CD1 3.89Å; E1107-L1135 HydrophobicContact CB-CD2 3.94Å; E1107-L1135 HydrophobicContact CG-CD1 3.89Å; L1110-L1135 HydrophobicContact CD1-CD2 4.29Å; L1110-L1135 HydrophobicContact CD1-CG 4.03Å; A1131-L1135 PolarHBondContact O-N 3.1Å; V1132-L1135 WeakPolarHBondContact O-CB 3.3Å; V1132-L1135 PolarHBondContact O-N 3.49Å; T1133-L1135 VanDerWaalsContact C-N 3.31Å; T1133-L1135 PolarHBondContact O-N 3.4Å; L1135-K1137 PolarHBondContact O-N 3.28Å; L1135-K1138 WeakPolarHBondContact O-CB 3.35Å; L1135-K1138 PolarHBondContact O-N 3.31Å; L1135-Y1139 HydrophobicContact CD1-CD2 4.22Å; L1135-Y1139 HydrophobicContact CD1-CE2 3.79Å; L1135-Y1139 WeakPolarHBondContact O-CD2 3.32Å; L1135-Y1139 PolarHBondContact O-N 2.92Å
1136	F	93.9	Very high	90.5	Very high	4 Å²	4	61 Å²	61	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-43.2	177.9	-93.4	-90.5	0	0	0	112.2	V1106 L1110 V1117 A1119 V1132 T1133 K1138 Y1139 G1140 N1141 L1144	V1106-F1136 HydrophobicContact CG1-CD2 4.42Å; V1106-F1136 HydrophobicContact CG1-CE2 3.5Å; V1106-F1136 HydrophobicContact CG1-CZ 3.79Å; L1110-F1136 HydrophobicContact CD1-CD1 4.27Å; L1110-F1136 HydrophobicContact CD1-CD2 4.23Å; L1110-F1136 HydrophobicContact CD1-CE1 4.23Å; L1110-F1136 HydrophobicContact CD1-CE2 4.22Å; L1110-F1136 HydrophobicContact CD1-CG 4.24Å; L1110-F1136 HydrophobicContact CD1-CZ 4.16Å; L1110-F1136 HydrophobicContact CD2-CD1 4.16Å; L1110-F1136 HydrophobicContact CD2-CE1 3.87Å; L1110-F1136 HydrophobicContact CD2-CZ 4.36Å; L1110-F1136 HydrophobicContact CG-CE1 4.49Å; V1117-F1136 HydrophobicContact CG1-CZ 4.44Å; A1119-F1136 HydrophobicContact CB-CE1 4.22Å; A1119-F1136 HydrophobicContact CB-CE2 3.72Å; A1119-F1136 HydrophobicContact CB-CZ 3.29Å; V1132-F1136 HydrophobicContact CG1-CD2 3.97Å; V1132-F1136 HydrophobicContact CG1-CE2 4.11Å; V1132-F1136 WeakPolarHBondContact O-CD2 3.28Å; V1132-F1136 PolarHBondContact O-N 3.1Å; T1133-F1136 PolarHBondContact O-N 3.43Å; F1136-K1138 VanDerWaalsContact C-N 3.34Å; F1136-K1138 PolarHBondContact O-N 2.87Å; F1136-Y1139 PolarHBondContact O-N 3Å; F1136-G1140 PolarHBondContact O-N 3.4Å; F1136-N1141 CarbonylContact C-O 3.54Å; F1136-N1141 WeakPolarHBondContact CB-O 3.38Å; F1136-N1141 HydrophobicContact CD1-CB 3.96Å; F1136-N1141 PolarHBondContact O-N 3.42Å; F1136-N1141 VanDerWaalsContact O-N 3.07Å; F1136-L1144 HydrophobicContact CB-CD2 4.26Å; F1136-L1144 HydrophobicContact CD1-CB 4.21Å; F1136-L1144 HydrophobicContact CD2-CB 4.35Å; F1136-L1144 HydrophobicContact CD2-CD1 4.21Å; F1136-L1144 HydrophobicContact CD2-CD2 3.86Å; F1136-L1144 HydrophobicContact CD2-CG 4.37Å; F1136-L1144 HydrophobicContact CE1-CB 4.48Å; F1136-L1144 HydrophobicContact CE2-CD1 4.03Å; F1136-L1144 HydrophobicContact CG-CB 4.17Å; F1136-L1144 HydrophobicContact CG-CD2 4.1Å
1137	K	92.7	Very high	90.9	Very high	145 Å²	145	55.6 Å²	55.6	63%	0.63	30%	0.297	S	S	*	.	H	α-helix	trans	-60.8	-39.4	174.6	-75.2	-179.7	177.6	-176.9	0	113.1	T1133 L1135 Y1139 G1140	T1133-K1137 HydrophobicContact CG2-CD 4.22Å; T1133-K1137 HydrophobicContact CG2-CG 4.49Å; T1133-K1137 WeakPolarHBondContact O-CB 3.24Å; T1133-K1137 WeakPolarHBondContact O-CG 3.03Å; T1133-K1137 PolarHBondContact O-N 2.95Å; L1135-K1137 PolarHBondContact O-N 3.28Å; K1137-Y1139 PolarHBondContact O-N 3.09Å; K1137-G1140 PolarHBondContact O-N 2.92Å
1138	K	94	Very high	91.1	Very high	135 Å²	135	50 Å²	50	59%	0.587	27%	0.27	S	S	*	.	H	α-helix	trans	-56.1	-33.7	177.1	175.1	-173.8	169.5	-171.7	0	112.2	E1107 S1134 L1135 F1136	E1107-K1138 IonicContact OE1-NZ 2.95Å; E1107-K1138 PolarHBondContact OE1-NZ 3.43Å; S1134-K1138 WeakPolarHBondContact O-CB 3.15Å; S1134-K1138 PolarHBondContact O-N 3.13Å; L1135-K1138 WeakPolarHBondContact O-CB 3.35Å; L1135-K1138 PolarHBondContact O-N 3.31Å; F1136-K1138 VanDerWaalsContact C-N 3.34Å; F1136-K1138 PolarHBondContact O-N 2.87Å
1139	Y	93.2	Very high	91.3	Very high	65 Å²	65	51.5 Å²	51.5	26%	0.255	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	9.8	178.8	-68.6	-84.1	0	0	0	113.5	E1107 L1110 L1135 F1136 K1137 N1141	E1107-Y1139 HydrophobicContact CG-CE2 4.04Å; E1107-Y1139 PolarHBondContact OE1-OH 3.17Å; L1110-Y1139 HydrophobicContact CB-CD1 4.33Å; L1110-Y1139 HydrophobicContact CB-CD2 3.79Å; L1110-Y1139 HydrophobicContact CB-CE2 4.25Å; L1110-Y1139 HydrophobicContact CB-CG 3.84Å; L1110-Y1139 HydrophobicContact CD1-CD2 4.03Å; L1135-Y1139 HydrophobicContact CD1-CD2 4.22Å; L1135-Y1139 HydrophobicContact CD1-CE2 3.79Å; L1135-Y1139 WeakPolarHBondContact O-CD2 3.32Å; L1135-Y1139 PolarHBondContact O-N 2.92Å; F1136-Y1139 PolarHBondContact O-N 3Å; K1137-Y1139 PolarHBondContact O-N 3.09Å; Y1139-N1141 PolarHBondContact O-N 2.88Å
1140	G	90.1	Very high	91.3	Very high	67 Å²	67	48.7 Å²	48.7	69%	0.691	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	19.5	178.5	0	0	0	0	0	114.9	F1136 K1137	F1136-G1140 PolarHBondContact O-N 3.4Å; K1137-G1140 PolarHBondContact O-N 2.92Å
1141	N	89.1	Confident	91.3	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.043	24%	0.239	C	C	.	.			trans	-105	130.9	-177.8	-177.4	-14.6	0	0	0	110.9	L1110 A1114 V1117 F1136 Y1139 S1143	L1110-N1141 HydrophobicContact CD2-CB 3.99Å; L1110-N1141 WeakPolarHBondContact CD2-ND2 3.38Å; A1114-N1141 WeakPolarHBondContact O-CB 3.34Å; A1114-N1141 PolarHBondContact O-ND2 3.39Å; V1117-N1141 PolarHBondContact O-ND2 3.46Å; F1136-N1141 CarbonylContact C-O 3.54Å; F1136-N1141 WeakPolarHBondContact CB-O 3.38Å; F1136-N1141 HydrophobicContact CD1-CB 3.96Å; F1136-N1141 PolarHBondContact O-N 3.42Å; F1136-N1141 VanDerWaalsContact O-N 3.07Å; Y1139-N1141 PolarHBondContact O-N 2.88Å; N1141-S1143 WeakPolarHBondContact OD1-CA 3.35Å; N1141-S1143 WeakPolarHBondContact OD1-CB 3.12Å; N1141-S1143 PolarHBondContact OD1-N 3.18Å; N1141-S1143 PolarHBondContact OD1-OG 3.4Å
1142	N	87.5	Confident	91.3	Very high	139 Å²	139	41.3 Å²	41.3	74%	0.743	23%	0.227	S	C	*	.			trans	-108.9	4.6	179.8	-65.2	-41.8	0	0	0	113.9	L1144	N1142-L1144 PolarHBondContact O-N 2.93Å
1143	S	90.1	Very high	91.4	Very high	35 Å²	35	41.3 Å²	41.3	25%	0.245	23%	0.227	C	C	.	.			trans	-78	60.4	-177.5	-58.5	0	0	0	0	112	V1117 S1118 A1119 N1141	V1117-S1143 WeakPolarHBondContact O-CB 3.46Å; S1118-S1143 CarbonylContact C-O 3.52Å; S1118-S1143 WeakPolarHBondContact CA-O 3.31Å; A1119-S1143 PolarHBondContact N-O 3.25Å; N1141-S1143 WeakPolarHBondContact OD1-CA 3.35Å; N1141-S1143 WeakPolarHBondContact OD1-CB 3.12Å; N1141-S1143 PolarHBondContact OD1-N 3.18Å; N1141-S1143 PolarHBondContact OD1-OG 3.4Å
1144	L	92.2	Very high	91.2	Very high	35 Å²	35	39.5 Å²	39.5	18%	0.183	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.5	-176.2	173.5	63.4	0	0	0	111.3	L872 A1119 W1121 V1132 F1136 N1142 F1146	L872-L1144 VanDerWaalsContact CD1-C 3.48Å; A1119-L1144 HydrophobicContact CB-CD1 3.92Å; A1119-L1144 WeakPolarHBondContact O-CA 3.48Å; W1121-L1144 HydrophobicContact CB-CD1 4.32Å; V1132-L1144 HydrophobicContact CG1-CD1 3.74Å; V1132-L1144 HydrophobicContact CG1-CD2 3.85Å; V1132-L1144 HydrophobicContact CG1-CG 4.46Å; F1136-L1144 HydrophobicContact CB-CD2 4.26Å; F1136-L1144 HydrophobicContact CD1-CB 4.21Å; F1136-L1144 HydrophobicContact CD2-CB 4.35Å; F1136-L1144 HydrophobicContact CD2-CD1 4.21Å; F1136-L1144 HydrophobicContact CD2-CD2 3.86Å; F1136-L1144 HydrophobicContact CD2-CG 4.37Å; F1136-L1144 HydrophobicContact CE1-CB 4.48Å; F1136-L1144 HydrophobicContact CE2-CD1 4.03Å; F1136-L1144 HydrophobicContact CG-CB 4.17Å; F1136-L1144 HydrophobicContact CG-CD2 4.1Å; N1142-L1144 PolarHBondContact O-N 2.93Å; L1144-F1146 HydrophobicContact CD1-CE1 4.48Å; L1144-F1146 HydrophobicContact CD1-CZ 4.28Å; L1144-F1146 HydrophobicContact CD2-CE2 3.77Å; L1144-F1146 HydrophobicContact CD2-CZ 3.66Å; L1144-F1146 HydrophobicContact CG-CE2 4.01Å; L1144-F1146 HydrophobicContact CG-CZ 4.08Å
1145	A	92.4	Very high	91	Very high	8 Å²	8	37 Å²	37	7%	0.066	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.9	173.8	0	0	0	0	0	110.3	L872 A1119 V1120 W1121	L872-A1145 HydrophobicContact CD1-CB 3.42Å; L872-A1145 VanDerWaalsContact CD1-CB 3.42Å; L872-A1145 HydrophobicContact CG-CB 4.27Å; A1119-A1145 PolarHBondContact O-N 3.41Å; V1120-A1145 WeakPolarHBondContact CA-O 3.44Å; W1121-A1145 PolarHBondContact N-O 2.92Å
1146	F	93	Very high	90.8	Very high	42 Å²	42	36.4 Å²	36.4	18%	0.184	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.4	172.8	-67.3	-74.1	0	0	0	110.1	W1121 R1129 V1132 T1133 L1144	W1121-F1146 HydrophobicContact CB-CD1 3.78Å; W1121-F1146 HydrophobicContact CB-CE1 3.84Å; W1121-F1146 HydrophobicContact CG-CD1 4.36Å; W1121-F1146 HydrophobicContact CG-CE1 4.14Å; W1121-F1146 WeakPolarHBondContact O-CA 3.24Å; R1129-F1146 HydrophobicContact CB-CD1 4.33Å; R1129-F1146 HydrophobicContact CB-CE1 3.86Å; R1129-F1146 HydrophobicContact CB-CE2 4.41Å; R1129-F1146 HydrophobicContact CB-CZ 3.89Å; R1129-F1146 HydrophobicContact CG-CD1 3.64Å; R1129-F1146 HydrophobicContact CG-CE1 3.63Å; R1129-F1146 HydrophobicContact CG-CG 4.17Å; R1129-F1146 HydrophobicContact CG-CZ 4.13Å; R1129-F1146 WeakPolarHBondContact O-CZ 3.47Å; V1132-F1146 HydrophobicContact CB-CE1 4.27Å; V1132-F1146 HydrophobicContact CB-CZ 4.22Å; V1132-F1146 HydrophobicContact CG1-CE1 4.35Å; V1132-F1146 HydrophobicContact CG1-CZ 4.3Å; T1133-F1146 WeakPolarHBondContact OG1-CZ 3.24Å; L1144-F1146 HydrophobicContact CD1-CE1 4.48Å; L1144-F1146 HydrophobicContact CD1-CZ 4.28Å; L1144-F1146 HydrophobicContact CD2-CE2 3.77Å; L1144-F1146 HydrophobicContact CD2-CZ 3.66Å; L1144-F1146 HydrophobicContact CG-CE2 4.01Å; L1144-F1146 HydrophobicContact CG-CZ 4.08Å
1147	V	91.9	Very high	90.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.3	171.5	-58.8	0	0	0	0	109.4	E865 A869 V1120 W1121 V1122 E1123 V1152 L1153	E865-V1147 HydrophobicContact CB-CG1 4.45Å; E865-V1147 WeakPolarHBondContact OE2-CA 3.29Å; A869-V1147 HydrophobicContact CB-CG1 3.98Å; V1120-V1147 HydrophobicContact CG1-CG1 3.94Å; V1120-V1147 HydrophobicContact CG1-CG2 3.99Å; W1121-V1147 PolarHBondContact O-N 3.5Å; V1122-V1147 CarbonylContact C-O 3.54Å; V1122-V1147 WeakPolarHBondContact CA-O 3.33Å; V1122-V1147 HydrophobicContact CB-CG2 4.11Å; V1122-V1147 HydrophobicContact CG1-CG2 4.24Å; V1122-V1147 HydrophobicContact CG2-CG2 3.65Å; E1123-V1147 PolarHBondContact N-O 3Å; V1147-V1152 HydrophobicContact CB-CB 3.93Å; V1147-V1152 HydrophobicContact CB-CG1 3.7Å; V1147-V1152 HydrophobicContact CG1-CB 4.25Å; V1147-V1152 HydrophobicContact CG1-CG1 3.52Å; V1147-V1152 HydrophobicContact CG2-CB 4.49Å; V1147-L1153 HydrophobicContact CG2-CB 4.39Å
1148	A	87.6	Confident	89.9	Confident	18 Å²	18	29.3 Å²	29.3	15%	0.149	17%	0.165	C	C	.	.	S	Bend	trans	-79.2	-30.6	-175.4	0	0	0	0	0	112.8	E865	E865-A1148 WeakPolarHBondContact OE2-CB 3.41Å; E865-A1148 PolarHBondContact OE2-N 3.38Å
1149	F	88.3	Confident	88.7	Confident	46 Å²	46	23.6 Å²	23.6	20%	0.202	14%	0.14	C	C	.	.	S	Bend	trans	-137.2	149	-172.3	-57.3	-77.4	0	0	0	112.8	T855 A856 I857 V1122 E1151 V1152	T855-F1149 HydrophobicContact CG2-CB 4.18Å; T855-F1149 HydrophobicContact CG2-CD2 3.81Å; T855-F1149 HydrophobicContact CG2-CE2 4.44Å; T855-F1149 HydrophobicContact CG2-CG 4.01Å; A856-F1149 HydrophobicContact CB-CZ 4.06Å; I857-F1149 HydrophobicContact CB-CE2 4.36Å; I857-F1149 HydrophobicContact CD1-CD2 4.08Å; I857-F1149 HydrophobicContact CD1-CE2 4.18Å; I857-F1149 HydrophobicContact CG1-CD2 4.14Å; I857-F1149 HydrophobicContact CG1-CE2 3.88Å; I857-F1149 HydrophobicContact CG2-CE2 3.88Å; V1122-F1149 VanDerWaalsContact CG1-C 3.49Å; F1149-E1151 PolarHBondContact O-N 3.13Å; F1149-V1152 HydrophobicContact CB-CG2 4.32Å; F1149-V1152 WeakPolarHBondContact O-CB 3.43Å; F1149-V1152 PolarHBondContact O-N 2.85Å
1150	P	90	Very high	87.1	Confident	13 Å²	13	22.7 Å²	22.7	8%	0.084	14%	0.142	C	C	.	.	H	α-helix	trans	-51.3	-37	170.9	-31	38.2	0	0	0	113.2	T889 R892 V1122 V1152 L1153 I1154	T889-P1150 WeakPolarHBondContact O-CA 3.46Å; T889-P1150 VanDerWaalsContact O-CB 3.26Å; T889-P1150 WeakPolarHBondContact O-CB 3.49Å; R892-P1150 HydrophobicContact CG-CG 4.05Å; V1122-P1150 HydrophobicContact CG1-CG 4.04Å; P1150-V1152 PolarHBondContact O-N 3.07Å; P1150-L1153 WeakPolarHBondContact O-CB 3.38Å; P1150-L1153 PolarHBondContact O-N 3.07Å; P1150-L1153 VanDerWaalsContact O-N 3.1Å; P1150-I1154 WeakPolarHBondContact O-CG1 3.48Å; P1150-I1154 PolarHBondContact O-N 3.47Å
1151	E	90.3	Very high	85.7	Confident	3 Å²	3	20.9 Å²	20.9	1%	0.014	12%	0.116	C	C	.	.	H	α-helix	trans	-57.8	-34.5	178.3	-72.8	84.5	177.7	0	0	113.3	K827 L851 T855 F862 R892 F1149 A1155	K827-E1151 IonicContact NZ-OE1 3.9Å; K827-E1151 PolarHBondContact NZ-OE1 3.09Å; L851-E1151 HydrophobicContact CB-CB 4.34Å; L851-E1151 HydrophobicContact CD2-CG 4.4Å; T855-E1151 HydrophobicContact CG2-CB 4.2Å; F862-E1151 HydrophobicContact CE2-CB 4.21Å; F862-E1151 HydrophobicContact CZ-CB 4.4Å; R892-E1151 IonicContact CZ-OE1 3.82Å; R892-E1151 IonicContact CZ-OE2 3.97Å; R892-E1151 IonicContact NE-OE1 2.94Å; R892-E1151 PolarHBondContact NE-OE1 3.33Å; R892-E1151 VanDerWaalsContact NE-OE1 3.1Å; R892-E1151 IonicContact NE-OE2 3.97Å; R892-E1151 PolarHBondContact NE-OE2 3.31Å; R892-E1151 VanDerWaalsContact NE-OE2 3.11Å; R892-E1151 VanDerWaalsContact NH2-CD 3.28Å; R892-E1151 IonicContact NH2-OE1 2.83Å; R892-E1151 PolarHBondContact NH2-OE1 3.39Å; R892-E1151 IonicContact NH2-OE2 3.82Å; R892-E1151 PolarHBondContact NH2-OE2 2.84Å; F1149-E1151 PolarHBondContact O-N 3.13Å; E1151-A1155 WeakPolarHBondContact O-CB 3.49Å; E1151-A1155 PolarHBondContact O-N 3.28Å
1152	V	91.1	Very high	84	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.2	-42.7	177	179.9	0	0	0	0	110.4	I857 F862 E865 I866 V1147 F1149 P1150 A1155 A1156	I857-V1152 HydrophobicContact CD1-CG2 4.29Å; F862-V1152 HydrophobicContact CD2-CG2 3.61Å; F862-V1152 HydrophobicContact CE2-CB 4.37Å; F862-V1152 HydrophobicContact CE2-CG2 3.44Å; F862-V1152 VanDerWaalsContact CE2-CG2 3.44Å; F862-V1152 HydrophobicContact CG-CG2 4.47Å; F862-V1152 HydrophobicContact CZ-CG2 4.23Å; E865-V1152 HydrophobicContact CB-CG1 3.64Å; I866-V1152 HydrophobicContact CG1-CG1 3.86Å; V1147-V1152 HydrophobicContact CB-CB 3.93Å; V1147-V1152 HydrophobicContact CB-CG1 3.7Å; V1147-V1152 HydrophobicContact CG1-CB 4.25Å; V1147-V1152 HydrophobicContact CG1-CG1 3.52Å; V1147-V1152 HydrophobicContact CG2-CB 4.49Å; F1149-V1152 HydrophobicContact CB-CG2 4.32Å; F1149-V1152 WeakPolarHBondContact O-CB 3.43Å; F1149-V1152 PolarHBondContact O-N 2.85Å; P1150-V1152 PolarHBondContact O-N 3.07Å; V1152-A1155 PolarHBondContact O-N 3.13Å; V1152-A1156 WeakPolarHBondContact O-CB 2.93Å; V1152-A1156 PolarHBondContact O-N 3.39Å
1153	L	92.1	Very high	81.8	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.9	-46.9	175.7	173.1	61.5	0	0	0	110.8	T889 L890 C1096 V1120 V1122 V1147 P1150 A1155 A1156 L1157	T889-L1153 HydrophobicContact CG2-CD2 3.63Å; L890-L1153 HydrophobicContact CD2-CD2 4.18Å; C1096-L1153 HydrophobicContact CB-CD2 4.12Å; V1120-L1153 HydrophobicContact CB-CD1 4.06Å; V1120-L1153 HydrophobicContact CG1-CD1 3.83Å; V1122-L1153 HydrophobicContact CG2-CB 4.24Å; V1122-L1153 HydrophobicContact CG2-CD2 3.89Å; V1147-L1153 HydrophobicContact CG2-CB 4.39Å; P1150-L1153 WeakPolarHBondContact O-CB 3.38Å; P1150-L1153 PolarHBondContact O-N 3.07Å; P1150-L1153 VanDerWaalsContact O-N 3.1Å; L1153-A1155 VanDerWaalsContact C-N 3.33Å; L1153-A1155 PolarHBondContact O-N 2.89Å; L1153-A1156 PolarHBondContact O-N 3.23Å; L1153-A1156 VanDerWaalsContact O-N 3.12Å; L1153-L1157 HydrophobicContact CD1-CD1 4.14Å; L1153-L1157 HydrophobicContact CD1-CG 4.08Å; L1153-L1157 HydrophobicContact CG-CD1 4.1Å; L1153-L1157 HydrophobicContact CG-CG 4.45Å; L1153-L1157 WeakPolarHBondContact O-CG 3.48Å; L1153-L1157 PolarHBondContact O-N 3.49Å
1154	I	90.3	Very high	79.5	Confident	1 Å²	1	19 Å²	19	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-43.8	177.4	-65.4	-61.5	0	0	0	110.9	F847 L851 L890 Y905 V909 V910 P1150 A1156 L1157 A1158	F847-I1154 HydrophobicContact CE1-CG2 4.45Å; F847-I1154 HydrophobicContact CZ-CG2 4.16Å; L851-I1154 HydrophobicContact CD1-CG2 4.37Å; L890-I1154 HydrophobicContact CD2-CD1 4.27Å; Y905-I1154 HydrophobicContact CD2-CG2 3.97Å; Y905-I1154 HydrophobicContact CE2-CG2 4.24Å; V909-I1154 HydrophobicContact CB-CG2 4.17Å; V909-I1154 HydrophobicContact CG1-CG2 4.26Å; V909-I1154 WeakPolarHBondContact CG1-O 3.06Å; V909-I1154 HydrophobicContact CG2-CG2 4.23Å; V910-I1154 HydrophobicContact CG2-CD1 3.79Å; P1150-I1154 WeakPolarHBondContact O-CG1 3.48Å; P1150-I1154 PolarHBondContact O-N 3.47Å; I1154-A1156 VanDerWaalsContact C-N 3.35Å; I1154-A1156 PolarHBondContact O-N 2.86Å; I1154-L1157 PolarHBondContact O-N 2.79Å; I1154-A1158 PolarHBondContact O-N 3Å; I1154-A1158 VanDerWaalsContact O-N 3.08Å
1155	A	88.4	Confident	76.6	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-47.2	173.4	0	0	0	0	0	111	F844 L851 F862 I866 E1151 V1152 L1153 L1157 A1158 E1159	F844-A1155 VanDerWaalsContact CE2-O 3.31Å; F844-A1155 WeakPolarHBondContact CE2-O 3.43Å; L851-A1155 HydrophobicContact CD1-CB 4.01Å; F862-A1155 HydrophobicContact CZ-CB 4.46Å; I866-A1155 HydrophobicContact CD1-CB 3.59Å; I866-A1155 HydrophobicContact CG1-CB 3.92Å; E1151-A1155 WeakPolarHBondContact O-CB 3.49Å; E1151-A1155 PolarHBondContact O-N 3.28Å; V1152-A1155 PolarHBondContact O-N 3.13Å; L1153-A1155 VanDerWaalsContact C-N 3.33Å; L1153-A1155 PolarHBondContact O-N 2.89Å; A1155-L1157 VanDerWaalsContact C-N 3.31Å; A1155-L1157 PolarHBondContact O-N 3.24Å; A1155-A1158 WeakPolarHBondContact O-CB 3.19Å; A1155-A1158 PolarHBondContact O-N 3.03Å; A1155-A1158 VanDerWaalsContact O-N 3.07Å; A1155-E1159 PolarHBondContact O-N 3.46Å
1156	A	88.8	Confident	73.6	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-35.9	179.9	0	0	0	0	0	113.4	I866 A869 R870 I873 V1152 L1153 I1154 A1158	I866-A1156 HydrophobicContact CG2-CB 4.45Å; A869-A1156 HydrophobicContact CB-CB 3.75Å; R870-A1156 HydrophobicContact CG-CB 4.28Å; I873-A1156 HydrophobicContact CD1-CB 3.73Å; V1152-A1156 WeakPolarHBondContact O-CB 2.93Å; V1152-A1156 PolarHBondContact O-N 3.39Å; L1153-A1156 PolarHBondContact O-N 3.23Å; L1153-A1156 VanDerWaalsContact O-N 3.12Å; I1154-A1156 VanDerWaalsContact C-N 3.35Å; I1154-A1156 PolarHBondContact O-N 2.86Å; A1156-A1158 VanDerWaalsContact C-N 3.33Å
1157	L	87.3	Confident	70.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-72	-23.8	174.9	-67.8	173.8	0	0	0	113.3	I873 F882 L890 V909 V910 F913 L1094 L1153 I1154 A1155 P1160	I873-L1157 HydrophobicContact CD1-CD2 4.1Å; F882-L1157 HydrophobicContact CZ-CD1 4.45Å; L890-L1157 HydrophobicContact CD2-CD1 4.46Å; V909-L1157 HydrophobicContact CG1-CB 3.7Å; V910-L1157 HydrophobicContact CG2-CD1 4.33Å; F913-L1157 HydrophobicContact CD1-CD2 3.88Å; F913-L1157 HydrophobicContact CD2-CB 4.35Å; F913-L1157 HydrophobicContact CD2-CD2 3.88Å; F913-L1157 HydrophobicContact CE1-CD2 3.78Å; F913-L1157 HydrophobicContact CE2-CD2 3.79Å; F913-L1157 HydrophobicContact CG-CB 4.45Å; F913-L1157 HydrophobicContact CG-CD2 3.92Å; F913-L1157 HydrophobicContact CZ-CD2 3.75Å; L1094-L1157 HydrophobicContact CD2-CD2 4.24Å; L1153-L1157 HydrophobicContact CD1-CD1 4.14Å; L1153-L1157 HydrophobicContact CD1-CG 4.08Å; L1153-L1157 HydrophobicContact CG-CD1 4.1Å; L1153-L1157 HydrophobicContact CG-CG 4.45Å; L1153-L1157 WeakPolarHBondContact O-CG 3.48Å; L1153-L1157 PolarHBondContact O-N 3.49Å; I1154-L1157 PolarHBondContact O-N 2.79Å; A1155-L1157 VanDerWaalsContact C-N 3.31Å; A1155-L1157 PolarHBondContact O-N 3.24Å; L1157-P1160 WeakPolarHBondContact O-CD 3.28Å
1158	A	80.1	Confident	67.7	Low	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-75.9	-30.9	-179	0	0	0	0	0	112.8	F847 V909 I1154 A1155 A1156 L1161 L1162	F847-A1158 HydrophobicContact CD1-CB 4Å; F847-A1158 HydrophobicContact CE1-CB 3.69Å; V909-A1158 HydrophobicContact CG1-CB 3.9Å; V909-A1158 HydrophobicContact CG2-CB 3.78Å; I1154-A1158 PolarHBondContact O-N 3Å; I1154-A1158 VanDerWaalsContact O-N 3.08Å; A1155-A1158 WeakPolarHBondContact O-CB 3.19Å; A1155-A1158 PolarHBondContact O-N 3.03Å; A1155-A1158 VanDerWaalsContact O-N 3.07Å; A1156-A1158 VanDerWaalsContact C-N 3.33Å; A1158-L1161 VanDerWaalsContact O-CB 3.29Å; A1158-L1161 WeakPolarHBondContact O-CB 3.48Å; A1158-L1161 PolarHBondContact O-N 3.46Å; A1158-L1161 VanDerWaalsContact O-N 3.1Å; A1158-L1162 HydrophobicContact CB-CD1 3.97Å; A1158-L1162 VanDerWaalsContact O-CG 3.31Å; A1158-L1162 WeakPolarHBondContact O-CG 3.47Å; A1158-L1162 PolarHBondContact O-N 3.09Å
1159	E	68	Low	65.1	Low	15 Å²	15	54 Å²	54	7%	0.07	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-58.8	-45.2	-170.8	-166.8	-176.9	-140.8	0	0	115.3	F844 R870 A1155 L1161 L1162 V1163	F844-E1159 HydrophobicContact CD1-CG 4.42Å; F844-E1159 HydrophobicContact CD2-CB 3.79Å; F844-E1159 HydrophobicContact CD2-CG 4.01Å; F844-E1159 HydrophobicContact CE1-CG 4.4Å; F844-E1159 HydrophobicContact CE2-CB 3.49Å; F844-E1159 VanDerWaalsContact CE2-CB 3.49Å; F844-E1159 HydrophobicContact CE2-CG 3.99Å; F844-E1159 HydrophobicContact CG-CG 4.23Å; F844-E1159 HydrophobicContact CZ-CB 3.96Å; F844-E1159 HydrophobicContact CZ-CG 4.18Å; R870-E1159 IonicContact CZ-OE1 3.18Å; R870-E1159 IonicContact CZ-OE2 2.79Å; R870-E1159 IonicContact NE-OE1 3.43Å; R870-E1159 IonicContact NE-OE2 3.66Å; R870-E1159 PolarHBondContact NE-OE2 3.44Å; R870-E1159 IonicContact NH1-OE1 2.73Å; R870-E1159 IonicContact NH2-OE1 2.7Å; R870-E1159 PolarHBondContact NH2-OE1 3.46Å; R870-E1159 IonicContact NH2-OE2 2.61Å; R870-E1159 PolarHBondContact NH2-OE2 3.05Å; A1155-E1159 PolarHBondContact O-N 3.46Å; E1159-L1161 PolarHBondContact O-N 2.99Å; E1159-L1162 PolarHBondContact O-N 2.99Å; E1159-V1163 HydrophobicContact CG-CB 4.5Å; E1159-V1163 HydrophobicContact CG-CG2 3.27Å; E1159-V1163 PolarHBondContact O-N 2.8Å; E1159-V1163 VanDerWaalsContact O-N 3.11Å
1160	P	59.5	Low	62.3	Low	45 Å²	45	58.8 Å²	58.8	29%	0.292	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-56.6	-23.9	179.3	-24.2	34.6	0	0	0	113.1	F913 L1157	F913-P1160 HydrophobicContact CE2-CG 4.44Å; L1157-P1160 WeakPolarHBondContact O-CD 3.28Å
1161	L	60.7	Low	59.3	Low	29 Å²	29	61.6 Å²	61.6	15%	0.152	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-86.1	-17.3	-179	-46.3	170.7	0	0	0	112.7	S912 Q916 A1158 E1159	S912-L1161 VanDerWaalsContact CB-CD1 3.43Å; S912-L1161 WeakPolarHBondContact OG-CD1 3.46Å; S912-L1161 WeakPolarHBondContact OG-CD2 3.43Å; Q916-L1161 HydrophobicContact CB-CD2 3.99Å; Q916-L1161 HydrophobicContact CG-CD2 4.22Å; A1158-L1161 VanDerWaalsContact O-CB 3.29Å; A1158-L1161 WeakPolarHBondContact O-CB 3.48Å; A1158-L1161 PolarHBondContact O-N 3.46Å; A1158-L1161 VanDerWaalsContact O-N 3.1Å; E1159-L1161 PolarHBondContact O-N 2.99Å
1162	L	54.7	Low	56.2	Low	27 Å²	27	68 Å²	68	14%	0.141	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-8	-164.1	-59.5	178.9	0	0	0	114.2	L842 F844 A1158 E1159 D1164	L842-L1162 HydrophobicContact CB-CD1 3.97Å; L842-L1162 HydrophobicContact CB-CD2 3.48Å; L842-L1162 VanDerWaalsContact CB-CD2 3.48Å; L842-L1162 HydrophobicContact CB-CG 4.33Å; L842-L1162 HydrophobicContact CD2-CD1 3.73Å; L842-L1162 HydrophobicContact CG-CD1 4.36Å; L842-L1162 WeakPolarHBondContact O-CB 3.32Å; L842-L1162 WeakPolarHBondContact O-CD1 3.29Å; L842-L1162 WeakPolarHBondContact O-CD2 3.46Å; F844-L1162 HydrophobicContact CB-CB 4.07Å; F844-L1162 HydrophobicContact CB-CD1 4.34Å; F844-L1162 HydrophobicContact CD2-CD1 4.31Å; A1158-L1162 HydrophobicContact CB-CD1 3.97Å; A1158-L1162 VanDerWaalsContact O-CG 3.31Å; A1158-L1162 WeakPolarHBondContact O-CG 3.47Å; A1158-L1162 PolarHBondContact O-N 3.09Å; E1159-L1162 PolarHBondContact O-N 2.99Å; L1162-D1164 PolarHBondContact O-N 2.84Å
1163	V	40.8	Very low	53.5	Low	52 Å²	52	73.3 Å²	73.3	32%	0.315	36%	0.364	S	S	.	.	S	Bend	trans	-88.3	92.1	178.8	174.9	0	0	0	0	110.9	E1159 E1165	E1159-V1163 HydrophobicContact CG-CB 4.5Å; E1159-V1163 HydrophobicContact CG-CG2 3.27Å; E1159-V1163 PolarHBondContact O-N 2.8Å; E1159-V1163 VanDerWaalsContact O-N 3.11Å; V1163-E1165 PolarHBondContact O-N 3.27Å
1164	D	41	Very low	50.8	Low	65 Å²	65	77.7 Å²	77.7	35%	0.348	39%	0.394	S	S	.	.				39.5	50.8	120.5	-110.6	-16.4	0	0	0	116.9	L1162 M1166 R1167	L1162-D1164 PolarHBondContact O-N 2.84Å; D1164-M1166 PolarHBondContact O-N 2.86Å; D1164-M1166 VanDerWaalsContact O-N 3.12Å; D1164-R1167 HydrophobicContact CB-CB 4.21Å; D1164-R1167 PolarHBondContact O-N 3.47Å; D1164-R1167 VanDerWaalsContact O-N 3.16Å; D1164-R1167 WeakPolarHBondContact OD2-CD 3.39Å; D1164-R1167 IonicContact OD2-NH1 3.69Å
1165	E	31.2	Very low	48.2	Very low	188 Å²	188	82 Å²	82	88%	0.879	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.2	167.5	-106.4	-172.3	166.7	0	0	112.3	V1163	V1163-E1165 PolarHBondContact O-N 3.27Å
1166	M	30.3	Very low	45.4	Very low	163 Å²	163	86.5 Å²	86.5	80%	0.803	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-26	174	-82.2	-152	-91.1	0	0	115.5	D1164	D1164-M1166 PolarHBondContact O-N 2.86Å; D1164-M1166 VanDerWaalsContact O-N 3.12Å
1167	R	32	Very low	42.8	Very low	178 Å²	178	95.2 Å²	95.2	67%	0.672	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-18.6	-175	-82	-165.5	179.4	145.5	-6.6	115.4	D1164 F1170	D1164-R1167 HydrophobicContact CB-CB 4.21Å; D1164-R1167 PolarHBondContact O-N 3.47Å; D1164-R1167 VanDerWaalsContact O-N 3.16Å; D1164-R1167 WeakPolarHBondContact OD2-CD 3.39Å; D1164-R1167 IonicContact OD2-NH1 3.69Å; R1167-F1170 PolarHBondContact O-N 3.08Å
1168	R	28.5	Very low	40.2	Very low	145 Å²	145	100.9 Å²	100.9	55%	0.547	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-80.9	-13	179.5	-93.2	-168.8	-176.2	127.7	18.4	115.8	F1170	R1168-F1170 PolarHBondContact O-N 3.19Å
1169	M	33.3	Very low	37.7	Very low	163 Å²	163	104.2 Å²	104.2	80%	0.803	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-63.8	-17.1	163.7	-82.7	-171.6	-165.4	0	0	112.6
1170	F	29.6	Very low	36	Very low	146 Å²	146	109 Å²	109	64%	0.64	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-112.3	5.6	-170.9	-67	-72.7	0	0	0	115.8	R1167 R1168	R1167-F1170 PolarHBondContact O-N 3.08Å; R1168-F1170 PolarHBondContact O-N 3.19Å
1171	A	27.1	Very low	34.8	Very low	73 Å²	73	112.7 Å²	112.7	60%	0.603	58%	0.581	S	S	*	*			trans	-117.3	12.8	-170.2	0	0	0	0	0	115.9
1172	E	25.4	Very low	33.3	Very low	137 Å²	137	116.6 Å²	116.6	64%	0.64	61%	0.611	S	S	*	*			trans	-91.3	118.1	161.9	-78.1	-161.5	167.4	0	0	110.1	S1174 L1175	E1172-S1174 PolarHBondContact O-N 2.9Å; E1172-L1175 PolarHBondContact O-N 3.42Å
1173	P	34.3	Very low	32.1	Very low	112 Å²	112	118.6 Å²	118.6	73%	0.727	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-61.8	-11.7	-175.4	-22.3	32.3	0	0	0	115	L1175	P1173-L1175 PolarHBondContact O-N 3.03Å
1174	S	36	Very low	31.5	Very low	91 Å²	91	122.3 Å²	122.3	64%	0.636	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-69.8	-14.3	172.9	47.1	0	0	0	0	113.3	E1172	E1172-S1174 PolarHBondContact O-N 2.9Å
1175	L	34.6	Very low	30.8	Very low	91 Å²	91	130.6 Å²	130.6	48%	0.476	68%	0.681	S	S	.	*	G	3₁₀ helix	trans	-114.7	6.9	178.6	-80.1	160.3	0	0	0	114.3	E1172 P1173 F1177 L1178	E1172-L1175 PolarHBondContact O-N 3.42Å; P1173-L1175 PolarHBondContact O-N 3.03Å; L1175-F1177 PolarHBondContact O-N 3.42Å; L1175-F1177 VanDerWaalsContact O-N 3.12Å; L1175-L1178 HydrophobicContact CD2-CB 4.1Å; L1175-L1178 HydrophobicContact CD2-CD1 3.3Å; L1175-L1178 HydrophobicContact CD2-CG 4.29Å; L1175-L1178 WeakPolarHBondContact O-CB 3.36Å; L1175-L1178 PolarHBondContact O-N 2.99Å
1176	V	30.3	Very low	30.6	Very low	96 Å²	96	129.3 Å²	129.3	58%	0.582	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-18.6	169.2	172.4	0	0	0	0	111.6	L1178	V1176-L1178 PolarHBondContact O-N 3.5Å
1177	F	34.9	Very low	30.6	Very low	184 Å²	184	129.4 Å²	129.4	81%	0.807	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-15.5	171.2	-139.8	-95.4	0	0	0	113.8	L1175	L1175-F1177 PolarHBondContact O-N 3.42Å; L1175-F1177 VanDerWaalsContact O-N 3.12Å
1178	L	31.7	Very low	30.7	Very low	118 Å²	118	123 Å²	123	62%	0.618	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-20.3	-175.1	-112.1	140.5	0	0	0	114.3	L1175 V1176 V1180 L1181	L1175-L1178 HydrophobicContact CD2-CB 4.1Å; L1175-L1178 HydrophobicContact CD2-CD1 3.3Å; L1175-L1178 HydrophobicContact CD2-CG 4.29Å; L1175-L1178 WeakPolarHBondContact O-CB 3.36Å; L1175-L1178 PolarHBondContact O-N 2.99Å; V1176-L1178 PolarHBondContact O-N 3.5Å; L1178-V1180 VanDerWaalsContact C-N 3.35Å; L1178-V1180 PolarHBondContact O-N 3.19Å; L1178-L1181 PolarHBondContact O-N 3.47Å
1179	C	28.4	Very low	31.2	Very low	70 Å²	70	122.1 Å²	122.1	47%	0.473	69%	0.686	S	S	.	*	G	3₁₀ helix	trans	-79.7	-11.4	176.9	-81.5	0	0	0	0	114.8	L1181	C1179-L1181 PolarHBondContact O-N 2.78Å
1180	V	32.8	Very low	31.4	Very low	117 Å²	117	120.9 Å²	120.9	71%	0.709	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-80.4	-6.3	173.8	-177.5	0	0	0	0	111.6	L1178	L1178-V1180 VanDerWaalsContact C-N 3.35Å; L1178-V1180 PolarHBondContact O-N 3.19Å
1181	L	32.7	Very low	31.7	Very low	121 Å²	121	121.1 Å²	121.1	63%	0.634	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-112.9	20.3	-174.6	-71.1	172.8	0	0	0	115.6	L1178 C1179	L1178-L1181 PolarHBondContact O-N 3.47Å; C1179-L1181 PolarHBondContact O-N 2.78Å
1182	S	30.9	Very low	32.3	Very low	112 Å²	112	124.1 Å²	124.1	78%	0.783	69%	0.691	S	S	*	*	S	Bend	trans	-95	22.1	170	56	0	0	0	0	114.5
1183	G	28.2	Very low	33.2	Very low	69 Å²	69	122.2 Å²	122.2	71%	0.711	69%	0.689	S	S	*	*	S	Bend	trans	-164	-0.6	177.9	0	0	0	0	0	120
1184	I	28.5	Very low	33.4	Very low	129 Å²	129	123.5 Å²	123.5	66%	0.662	68%	0.683	S	S	*	*			trans	-127	104.6	172.4	-54.8	-179.8	0	0	0	109.1	L1186	I1184-L1186 PolarHBondContact O-N 3.45Å
1185	R	26.5	Very low	33.6	Very low	239 Å²	239	121.4 Å²	121.4	90%	0.902	67%	0.668	S	S	*	*			trans	-60.8	113.1	178.5	-69	176.8	178.9	178.7	-2.2	111
1186	L	27.6	Very low	33.8	Very low	161 Å²	161	123.5 Å²	123.5	84%	0.843	67%	0.673	S	S	*	*			trans	-136.1	108.2	161.1	-81.2	166.9	0	0	0	109.2	I1184	I1184-L1186 PolarHBondContact O-N 3.45Å
1187	N	28.8	Very low	34.3	Very low	165 Å²	165	126 Å²	126	88%	0.882	68%	0.683	S	S	*	*			trans	-64.6	128.8	179.1	-68.7	-19.6	0	0	0	110.6
1188	G	33.9	Very low	34.8	Very low	44 Å²	44	125 Å²	125	45%	0.454	69%	0.685	S	S	.	*			trans	-155.6	159.6	177.1	0	0	0	0	0	113.9	L1190	G1188-L1190 VanDerWaalsContact C-N 3.32Å; G1188-L1190 PolarHBondContact O-N 3.05Å
1189	P	39.5	Very low	35.7	Very low	127 Å²	127	121.2 Å²	121.2	83%	0.825	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-2.9	-155.2	-9.3	26.6	0	0	0	115.5	Q1191	P1189-Q1191 PolarHBondContact O-N 3.29Å
1190	L	37.6	Very low	36.9	Very low	136 Å²	136	121 Å²	121	71%	0.712	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	2.8	-175.6	-75.5	165.6	0	0	0	113.8	G1188 D1192	G1188-L1190 VanDerWaalsContact C-N 3.32Å; G1188-L1190 PolarHBondContact O-N 3.05Å; L1190-D1192 VanDerWaalsContact C-N 3.35Å
1191	Q	37	Very low	37.5	Very low	152 Å²	152	117.9 Å²	117.9	71%	0.71	64%	0.638	S	S	*	*	H	α-helix	trans	-70.6	-28.8	178.8	-140	168.7	3.8	0	0	112.8	P1189 V1193 F1194 S1195	P1189-Q1191 PolarHBondContact O-N 3.29Å; Q1191-V1193 PolarHBondContact O-N 2.84Å; Q1191-F1194 PolarHBondContact O-N 2.97Å; Q1191-S1195 PolarHBondContact O-N 3.42Å
1192	D	38.6	Very low	38.7	Very low	136 Å²	136	115.5 Å²	115.5	73%	0.727	64%	0.642	S	S	*	*	H	α-helix	trans	-69.9	-16.8	-177.3	-77	-15.7	0	0	0	114	L1190	L1190-D1192 VanDerWaalsContact C-N 3.35Å
1193	V	45.5	Very low	40.3	Very low	97 Å²	97	112.4 Å²	112.4	59%	0.588	62%	0.618	S	S	*	*	H	α-helix	trans	-86.7	-32.5	-179.4	-177.8	0	0	0	0	111.8	Q1191	Q1191-V1193 PolarHBondContact O-N 2.84Å
1194	F	37.9	Very low	42	Very low	139 Å²	139	114.8 Å²	114.8	61%	0.61	62%	0.621	S	S	*	*	H	α-helix	trans	-101.5	-13.2	-171.1	-72.6	-75.8	0	0	0	114.8	Q1191 K1196 L1197	Q1191-F1194 PolarHBondContact O-N 2.97Å; F1194-K1196 VanDerWaalsContact C-N 3.26Å; F1194-K1196 PolarHBondContact O-N 3.29Å; F1194-L1197 PolarHBondContact O-N 2.89Å
1195	S	40.5	Very low	43.9	Very low	47 Å²	47	109.3 Å²	109.3	33%	0.329	59%	0.594	S	S	.	*	H	α-helix	trans	-60.4	-37.3	173.5	59.3	0	0	0	0	111.9	Q1191 L1197 L1198 T1199	Q1191-S1195 PolarHBondContact O-N 3.42Å; S1195-L1197 PolarHBondContact O-N 3.31Å; S1195-L1197 VanDerWaalsContact O-N 3.17Å; S1195-L1198 PolarHBondContact O-N 3.13Å; S1195-T1199 WeakPolarHBondContact O-CB 3.43Å; S1195-T1199 WeakPolarHBondContact O-CG2 3.22Å; S1195-T1199 PolarHBondContact O-N 2.95Å; S1195-T1199 VanDerWaalsContact O-N 3.14Å; S1195-T1199 PolarHBondContact O-OG1 3.44Å
1196	K	37.8	Very low	45.9	Very low	134 Å²	134	100.7 Å²	100.7	58%	0.583	56%	0.564	S	S	*	*	H	α-helix	trans	-64.6	-18.4	180	-75.2	-171.7	173.7	-175.7	0	115.4	F1194 T1199 Q1201	F1194-K1196 VanDerWaalsContact C-N 3.26Å; F1194-K1196 PolarHBondContact O-N 3.29Å; K1196-T1199 VanDerWaalsContact O-O 3.12Å; K1196-Q1201 HydrophobicContact CG-CB 4.11Å
1197	L	42.1	Very low	48.2	Very low	149 Å²	149	98.5 Å²	98.5	78%	0.78	55%	0.553	S	S	*	*	H	α-helix	trans	-91	-15.8	-177.3	-130.7	139	0	0	0	112.8	F1194 S1195	F1194-L1197 PolarHBondContact O-N 2.89Å; S1195-L1197 PolarHBondContact O-N 3.31Å; S1195-L1197 VanDerWaalsContact O-N 3.17Å
1198	L	43.9	Very low	50.5	Low	162 Å²	162	94.2 Å²	94.2	85%	0.848	53%	0.527	S	S	*	.	H	α-helix	trans	-114	0.2	177.8	-70.5	166.2	0	0	0	112.8	S1195	S1195-L1198 PolarHBondContact O-N 3.13Å
1199	T	51	Low	52.4	Low	40 Å²	40	93.3 Å²	93.3	25%	0.245	51%	0.511	C	S	.	.	S	Bend	trans	-125.5	154.9	178	61.1	0	0	0	0	109.2	S1195 K1196 Q1201	S1195-T1199 WeakPolarHBondContact O-CB 3.43Å; S1195-T1199 WeakPolarHBondContact O-CG2 3.22Å; S1195-T1199 PolarHBondContact O-N 2.95Å; S1195-T1199 VanDerWaalsContact O-N 3.14Å; S1195-T1199 PolarHBondContact O-OG1 3.44Å; K1196-T1199 VanDerWaalsContact O-O 3.12Å; T1199-Q1201 PolarHBondContact O-N 3.31Å; T1199-Q1201 WeakPolarHBondContact OG1-CG 3.41Å
1200	M	54.8	Low	54.1	Low	65 Å²	65	89.4 Å²	89.4	32%	0.32	48%	0.483	S	S	.	.			trans	-76.9	19.1	179.7	-66.2	-103.8	64	0	0	113.3	G1202 T1203 E1209 Y1239	M1200-G1202 PolarHBondContact O-N 2.89Å; M1200-T1203 HydrophobicContact CE-CG2 3.48Å; M1200-T1203 VanDerWaalsContact CE-CG2 3.48Å; M1200-T1203 PolarHBondContact O-N 2.98Å; M1200-T1203 PolarHBondContact O-OG1 3.2Å; M1200-T1203 HydrophobicContact SD-CG2 4.47Å; M1200-E1209 VanDerWaalsContact CA-OE2 3.32Å; M1200-E1209 WeakPolarHBondContact CA-OE2 3.28Å; M1200-E1209 VanDerWaalsContact CB-OE2 3.24Å; M1200-E1209 WeakPolarHBondContact CB-OE2 3.38Å; M1200-E1209 PolarHBondContact N-OE1 2.8Å; M1200-E1209 PolarHBondContact N-OE2 2.91Å; M1200-Y1239 HydrophobicContact SD-CD2 4.28Å; M1200-Y1239 HydrophobicContact SD-CE2 4.03Å
1201	Q	43.4	Very low	56	Low	52 Å²	52	86 Å²	86	24%	0.243	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	115.5	178.3	-68.8	-176.9	0.5	0	0	110.9	K1196 T1199 E1206	K1196-Q1201 HydrophobicContact CG-CB 4.11Å; T1199-Q1201 PolarHBondContact O-N 3.31Å; T1199-Q1201 WeakPolarHBondContact OG1-CG 3.41Å; Q1201-E1206 HydrophobicContact CB-CG 4.29Å; Q1201-E1206 WeakPolarHBondContact CB-OE1 3.28Å; Q1201-E1206 HydrophobicContact CG-CG 4.09Å
1202	G	58.4	Low	58.1	Low	70 Å²	70	81.6 Å²	81.6	72%	0.722	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.8	-5.4	-169.6	0	0	0	0	0	114.7	M1200 E1206	M1200-G1202 PolarHBondContact O-N 2.89Å; G1202-E1206 PolarHBondContact N-OE2 3.39Å
1203	T	65.9	Low	59.9	Low	47 Å²	47	80 Å²	80	29%	0.288	43%	0.432	S	S	.	.	S	Bend	trans	-101.9	160.7	172.1	68.7	0	0	0	0	111.4	M1200 C1205 E1206	M1200-T1203 HydrophobicContact CE-CG2 3.48Å; M1200-T1203 VanDerWaalsContact CE-CG2 3.48Å; M1200-T1203 PolarHBondContact O-N 2.98Å; M1200-T1203 PolarHBondContact O-OG1 3.2Å; M1200-T1203 HydrophobicContact SD-CG2 4.47Å; T1203-C1205 PolarHBondContact O-N 3.22Å; T1203-C1205 PolarHBondContact OG1-N 3.22Å; T1203-E1206 WeakPolarHBondContact O-CB 3.39Å; T1203-E1206 PolarHBondContact O-N 3.03Å
1204	P	62.8	Low	61.3	Low	119 Å²	119	83.2 Å²	83.2	77%	0.773	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-25.4	174.2	-24.2	34	0	0	0	113.4	E1206	P1204-E1206 VanDerWaalsContact C-N 3.31Å; P1204-E1206 PolarHBondContact O-N 3.13Å
1205	C	68.9	Low	63.1	Low	14 Å²	14	77.5 Å²	77.5	10%	0.095	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.3	179.9	-46.4	0	0	0	0	113.7	T1203 N1207 F1208 E1209 F1235 C1238	T1203-C1205 PolarHBondContact O-N 3.22Å; T1203-C1205 PolarHBondContact OG1-N 3.22Å; C1205-N1207 VanDerWaalsContact C-N 3.3Å; C1205-N1207 PolarHBondContact O-N 2.97Å; C1205-F1208 PolarHBondContact O-N 2.73Å; C1205-E1209 PolarHBondContact O-N 3.17Å; C1205-F1235 HydrophobicContact CB-CE2 4.29Å; C1205-C1238 PolarHBondContact SG-SG 3.47Å
1206	E	68.8	Low	64.6	Low	59 Å²	59	76 Å²	76	28%	0.276	40%	0.4	S	S	.	.	H	α-helix	trans	-51.1	-45.1	-174.5	169.5	170.4	-163.8	0	0	112.9	Q1201 G1202 T1203 P1204 F1208 E1209 L1210	Q1201-E1206 HydrophobicContact CB-CG 4.29Å; Q1201-E1206 WeakPolarHBondContact CB-OE1 3.28Å; Q1201-E1206 HydrophobicContact CG-CG 4.09Å; G1202-E1206 PolarHBondContact N-OE2 3.39Å; T1203-E1206 WeakPolarHBondContact O-CB 3.39Å; T1203-E1206 PolarHBondContact O-N 3.03Å; P1204-E1206 VanDerWaalsContact C-N 3.31Å; P1204-E1206 PolarHBondContact O-N 3.13Å; E1206-F1208 VanDerWaalsContact C-N 3.34Å; E1206-F1208 PolarHBondContact O-N 2.78Å; E1206-E1209 PolarHBondContact O-N 2.99Å; E1206-L1210 HydrophobicContact CG-CD1 3.83Å; E1206-L1210 WeakPolarHBondContact O-CB 3.32Å; E1206-L1210 WeakPolarHBondContact O-CG 3.4Å; E1206-L1210 PolarHBondContact O-N 3.04Å
1207	N	75	Confident	66.4	Low	114 Å²	114	77.7 Å²	77.7	61%	0.61	41%	0.41	S	S	*	.	H	α-helix	trans	-66.1	-36.4	-178.8	-84.9	-28.3	0	0	0	112.6	C1205 N1211	C1205-N1207 VanDerWaalsContact C-N 3.3Å; C1205-N1207 PolarHBondContact O-N 2.97Å; N1207-N1211 WeakPolarHBondContact O-CB 3.48Å; N1207-N1211 VanDerWaalsContact O-CG 3.22Å; N1207-N1211 PolarHBondContact O-N 2.95Å; N1207-N1211 PolarHBondContact O-ND2 2.77Å
1208	F	77.1	Confident	67.8	Low	75 Å²	75	74.4 Å²	74.4	33%	0.329	41%	0.405	S	S	.	.	H	α-helix	trans	-72.8	-40.5	179	-66.4	-74.4	0	0	0	111.5	C1205 E1206 N1211 Y1212 D1234 F1235 C1238	C1205-F1208 PolarHBondContact O-N 2.73Å; E1206-F1208 VanDerWaalsContact C-N 3.34Å; E1206-F1208 PolarHBondContact O-N 2.78Å; F1208-N1211 PolarHBondContact O-N 3.03Å; F1208-Y1212 WeakPolarHBondContact O-CB 3.42Å; F1208-Y1212 PolarHBondContact O-N 3.47Å; F1208-D1234 HydrophobicContact CD1-CB 3.79Å; F1208-D1234 HydrophobicContact CE1-CB 3.97Å; F1208-F1235 HydrophobicContact CB-CB 4.02Å; F1208-F1235 HydrophobicContact CB-CD2 4.13Å; F1208-C1238 HydrophobicContact CD2-CB 3.8Å; F1208-C1238 HydrophobicContact CE2-CB 4.09Å; F1208-C1238 HydrophobicContact CG-CB 4.45Å
1209	E	73	Confident	69.3	Low	26 Å²	26	72.2 Å²	72.2	12%	0.121	39%	0.386	C	S	.	.	H	α-helix	trans	-60.6	-47	174.1	-170.7	-170.6	-151	0	0	110.9	M1200 C1205 E1206 N1211 Y1212 M1213 F1235	M1200-E1209 VanDerWaalsContact CA-OE2 3.32Å; M1200-E1209 WeakPolarHBondContact CA-OE2 3.28Å; M1200-E1209 VanDerWaalsContact CB-OE2 3.24Å; M1200-E1209 WeakPolarHBondContact CB-OE2 3.38Å; M1200-E1209 PolarHBondContact N-OE1 2.8Å; M1200-E1209 PolarHBondContact N-OE2 2.91Å; C1205-E1209 PolarHBondContact O-N 3.17Å; E1206-E1209 PolarHBondContact O-N 2.99Å; E1209-N1211 PolarHBondContact O-N 2.84Å; E1209-Y1212 PolarHBondContact O-N 2.73Å; E1209-M1213 WeakPolarHBondContact O-CB 3.22Å; E1209-M1213 VanDerWaalsContact O-CG 3.31Å; E1209-M1213 WeakPolarHBondContact O-CG 3.35Å; E1209-M1213 PolarHBondContact O-N 3.26Å; E1209-F1235 HydrophobicContact CB-CD2 3.92Å; E1209-F1235 HydrophobicContact CB-CE2 3.69Å; E1209-F1235 HydrophobicContact CB-CZ 4.49Å; E1209-F1235 HydrophobicContact CG-CE2 4.14Å; E1209-F1235 HydrophobicContact CG-CZ 4.47Å
1210	L	76.2	Confident	69.8	Low	44 Å²	44	71.8 Å²	71.8	23%	0.23	39%	0.39	C	S	.	.	H	α-helix	trans	-61.4	-41.9	178.3	-82.2	169.5	0	0	0	112.5	E1206 R1214	E1206-L1210 HydrophobicContact CG-CD1 3.83Å; E1206-L1210 WeakPolarHBondContact O-CB 3.32Å; E1206-L1210 WeakPolarHBondContact O-CG 3.4Å; E1206-L1210 PolarHBondContact O-N 3.04Å; L1210-R1214 WeakPolarHBondContact O-CB 3.3Å; L1210-R1214 VanDerWaalsContact O-CG 3.26Å; L1210-R1214 WeakPolarHBondContact O-CG 3.36Å; L1210-R1214 PolarHBondContact O-N 3.2Å
1211	N	78.3	Confident	70.2	Confident	66 Å²	66	76.7 Å²	76.7	35%	0.353	41%	0.411	S	S	.	.	H	α-helix	trans	-67.7	-42.5	177.8	-72.9	-15.4	0	0	0	112	N1207 F1208 E1209 R1214 C1215 E1231	N1207-N1211 WeakPolarHBondContact O-CB 3.48Å; N1207-N1211 VanDerWaalsContact O-CG 3.22Å; N1207-N1211 PolarHBondContact O-N 2.95Å; N1207-N1211 PolarHBondContact O-ND2 2.77Å; F1208-N1211 PolarHBondContact O-N 3.03Å; E1209-N1211 PolarHBondContact O-N 2.84Å; N1211-R1214 PolarHBondContact O-N 2.86Å; N1211-C1215 WeakPolarHBondContact O-CB 3.32Å; N1211-C1215 PolarHBondContact O-N 3.23Å; N1211-E1231 VanDerWaalsContact CB-OE2 3.24Å; N1211-E1231 WeakPolarHBondContact CB-OE2 3.4Å
1212	Y	79.2	Confident	71.2	Confident	58 Å²	58	81.9 Å²	81.9	23%	0.227	44%	0.439	C	S	.	.	H	α-helix	trans	-59.1	-49.8	174.1	172.4	-112.2	0	0	0	111.1	F1208 E1209 R1214 C1215 V1216 C1228 E1231 L1232	F1208-Y1212 WeakPolarHBondContact O-CB 3.42Å; F1208-Y1212 PolarHBondContact O-N 3.47Å; E1209-Y1212 PolarHBondContact O-N 2.73Å; Y1212-R1214 PolarHBondContact O-N 3.11Å; Y1212-C1215 WeakPolarHBondContact O-CB 3.24Å; Y1212-C1215 PolarHBondContact O-N 2.89Å; Y1212-C1215 VanDerWaalsContact O-N 3.08Å; Y1212-V1216 HydrophobicContact CD1-CG2 4.33Å; Y1212-V1216 HydrophobicContact CD2-CG2 3.98Å; Y1212-V1216 HydrophobicContact CE1-CG2 3.88Å; Y1212-V1216 HydrophobicContact CE2-CG2 3.45Å; Y1212-V1216 VanDerWaalsContact CE2-CG2 3.45Å; Y1212-V1216 HydrophobicContact CG-CG2 4.39Å; Y1212-V1216 VanDerWaalsContact CZ-CG2 3.4Å; Y1212-V1216 WeakPolarHBondContact O-CG2 3.5Å; Y1212-V1216 PolarHBondContact O-N 3.02Å; Y1212-C1228 HydrophobicContact CD2-CB 4.25Å; Y1212-C1228 HydrophobicContact CE2-CB 4.16Å; Y1212-E1231 HydrophobicContact CD2-CB 4.23Å; Y1212-L1232 HydrophobicContact CD1-CD1 4.32Å; Y1212-L1232 HydrophobicContact CD2-CB 3.88Å; Y1212-L1232 HydrophobicContact CD2-CD1 4.07Å; Y1212-L1232 HydrophobicContact CE1-CD1 3.96Å; Y1212-L1232 HydrophobicContact CE2-CB 3.76Å; Y1212-L1232 HydrophobicContact CE2-CD1 3.7Å; Y1212-L1232 HydrophobicContact CE2-CD2 4.4Å; Y1212-L1232 HydrophobicContact CE2-CG 4.16Å; Y1212-L1232 HydrophobicContact CG-CD1 4.37Å
1213	M	76.8	Confident	71.7	Confident	104 Å²	104	83.1 Å²	83.1	51%	0.512	43%	0.429	S	S	.	.	H	α-helix	trans	-61.5	-42	180	-70	-62	-124.6	0	0	112.3	E1209 C1215 V1216 E1217	E1209-M1213 WeakPolarHBondContact O-CB 3.22Å; E1209-M1213 VanDerWaalsContact O-CG 3.31Å; E1209-M1213 WeakPolarHBondContact O-CG 3.35Å; E1209-M1213 PolarHBondContact O-N 3.26Å; M1213-C1215 VanDerWaalsContact C-N 3.3Å; M1213-C1215 PolarHBondContact O-N 3.39Å; M1213-V1216 PolarHBondContact O-N 2.81Å; M1213-E1217 WeakPolarHBondContact O-CB 3.44Å; M1213-E1217 PolarHBondContact O-N 3.42Å
1214	R	76.5	Confident	71.8	Confident	163 Å²	163	81.1 Å²	81.1	62%	0.615	42%	0.417	S	S	*	.	H	α-helix	trans	-59.9	-39.7	173.5	-76.6	173.6	176.3	177.9	0.4	112.2	L1210 N1211 Y1212 A1218	L1210-R1214 WeakPolarHBondContact O-CB 3.3Å; L1210-R1214 VanDerWaalsContact O-CG 3.26Å; L1210-R1214 WeakPolarHBondContact O-CG 3.36Å; L1210-R1214 PolarHBondContact O-N 3.2Å; N1211-R1214 PolarHBondContact O-N 2.86Å; Y1212-R1214 PolarHBondContact O-N 3.11Å; R1214-A1218 WeakPolarHBondContact O-CB 3.33Å; R1214-A1218 PolarHBondContact O-N 3.05Å
1215	C	73.9	Confident	71.7	Confident	20 Å²	20	84.6 Å²	84.6	14%	0.135	42%	0.42	C	S	.	.	H	α-helix	trans	-65.7	-46.9	175.4	-174.5	0	0	0	0	111.5	N1211 Y1212 M1213 E1217 A1218 Y1219 C1228 E1231	N1211-C1215 WeakPolarHBondContact O-CB 3.32Å; N1211-C1215 PolarHBondContact O-N 3.23Å; Y1212-C1215 WeakPolarHBondContact O-CB 3.24Å; Y1212-C1215 PolarHBondContact O-N 2.89Å; Y1212-C1215 VanDerWaalsContact O-N 3.08Å; M1213-C1215 VanDerWaalsContact C-N 3.3Å; M1213-C1215 PolarHBondContact O-N 3.39Å; C1215-E1217 VanDerWaalsContact C-N 3.27Å; C1215-E1217 PolarHBondContact O-N 3.28Å; C1215-A1218 PolarHBondContact O-N 2.89Å; C1215-Y1219 VanDerWaalsContact O-CD2 3.3Å; C1215-Y1219 WeakPolarHBondContact O-CD2 3.3Å; C1215-Y1219 PolarHBondContact O-N 2.97Å; C1215-C1228 HydrophobicContact CB-CB 3.82Å; C1215-C1228 WeakPolarHBondContact CB-SG 3.33Å; C1215-C1228 PolarHBondContact O-SG 2.78Å; C1215-C1228 VanDerWaalsContact O-SG 3.35Å; C1215-C1228 WeakPolarHBondContact SG-CA 2.94Å; C1215-C1228 WeakPolarHBondContact SG-CB 3.41Å; C1215-C1228 CovalentContact SG-SG 2.05Å; C1215-C1228 PolarHBondContact SG-SG 2.74Å; C1215-E1231 HydrophobicContact CB-CG 4.35Å
1216	V	73.6	Confident	71.8	Confident	16 Å²	16	93.6 Å²	93.6	10%	0.097	45%	0.452	C	S	.	.	H	α-helix	trans	-61.2	-39.1	178.1	179.1	0	0	0	0	111.2	Y1212 M1213 G1220 A1224	Y1212-V1216 HydrophobicContact CD1-CG2 4.33Å; Y1212-V1216 HydrophobicContact CD2-CG2 3.98Å; Y1212-V1216 HydrophobicContact CE1-CG2 3.88Å; Y1212-V1216 HydrophobicContact CE2-CG2 3.45Å; Y1212-V1216 VanDerWaalsContact CE2-CG2 3.45Å; Y1212-V1216 HydrophobicContact CG-CG2 4.39Å; Y1212-V1216 VanDerWaalsContact CZ-CG2 3.4Å; Y1212-V1216 WeakPolarHBondContact O-CG2 3.5Å; Y1212-V1216 PolarHBondContact O-N 3.02Å; M1213-V1216 PolarHBondContact O-N 2.81Å; V1216-G1220 VanDerWaalsContact O-CA 3.23Å; V1216-G1220 WeakPolarHBondContact O-CA 3.39Å; V1216-G1220 PolarHBondContact O-N 3.47Å; V1216-A1224 HydrophobicContact CB-CB 4.19Å; V1216-A1224 HydrophobicContact CG1-CB 3.95Å; V1216-A1224 HydrophobicContact CG2-CB 3.97Å
1217	E	73.9	Confident	72	Confident	168 Å²	168	97 Å²	97	79%	0.785	46%	0.463	S	S	*	.	H	α-helix	trans	-66.4	-40.5	177.3	-165.2	172.5	-159.8	0	0	111.9	M1213 C1215	M1213-E1217 WeakPolarHBondContact O-CB 3.44Å; M1213-E1217 PolarHBondContact O-N 3.42Å; C1215-E1217 VanDerWaalsContact C-N 3.27Å; C1215-E1217 PolarHBondContact O-N 3.28Å
1218	A	72.8	Confident	72.2	Confident	81 Å²	81	91.6 Å²	91.6	67%	0.669	43%	0.434	S	S	*	.	H	α-helix	trans	-66.4	-40.1	177.9	0	0	0	0	0	113.4	R1214 C1215	R1214-A1218 WeakPolarHBondContact O-CB 3.33Å; R1214-A1218 PolarHBondContact O-N 3.05Å; C1215-A1218 PolarHBondContact O-N 2.89Å
1219	Y	73.9	Confident	72.2	Confident	115 Å²	115	90.7 Å²	90.7	45%	0.451	43%	0.433	S	S	.	.	H	α-helix	trans	-97.2	-16.5	-176.5	-68.3	-73.5	0	0	0	114.4	C1215 Y1227	C1215-Y1219 VanDerWaalsContact O-CD2 3.3Å; C1215-Y1219 WeakPolarHBondContact O-CD2 3.3Å; C1215-Y1219 PolarHBondContact O-N 2.97Å; Y1219-Y1227 AromaticContact CD1-CD2 3.93Å; Y1219-Y1227 HydrophobicContact CD1-CD2 3.93Å; Y1219-Y1227 HydrophobicContact CD1-CG 4.25Å; Y1219-Y1227 HydrophobicContact CE1-CD2 4.25Å; Y1219-Y1227 HydrophobicContact CE1-CG 4.2Å; Y1219-Y1227 HydrophobicContact CG-CD2 4.34Å
1220	G	63	Low	72.4	Confident	32 Å²	32	92.9 Å²	92.9	33%	0.33	45%	0.445	S	S	.	.			trans	73.5	156.5	-171.5	0	0	0	0	0	113.6	V1216 I1222 L1223 A1224	V1216-G1220 VanDerWaalsContact O-CA 3.23Å; V1216-G1220 WeakPolarHBondContact O-CA 3.39Å; V1216-G1220 PolarHBondContact O-N 3.47Å; G1220-I1222 VanDerWaalsContact C-N 3.28Å; G1220-I1222 PolarHBondContact O-N 2.9Å; G1220-I1222 VanDerWaalsContact O-N 3.07Å; G1220-L1223 PolarHBondContact O-N 2.89Å; G1220-A1224 VanDerWaalsContact O-CB 3.29Å; G1220-A1224 WeakPolarHBondContact O-CB 3.34Å; G1220-A1224 PolarHBondContact O-N 3.3Å
1221	H	63.4	Low	72.6	Confident	167 Å²	167	93.5 Å²	93.5	77%	0.773	45%	0.447	S	S	*	.	H	α-helix	trans	-55.3	-33.5	-167	-115	-71.5	0	0	0	115.9
1222	I	64.4	Low	72.5	Confident	162 Å²	162	92.6 Å²	92.6	83%	0.831	44%	0.442	S	S	*	.	H	α-helix	trans	-78.5	-41.3	-175.7	-62.6	173.2	0	0	0	111	G1220	G1220-I1222 VanDerWaalsContact C-N 3.28Å; G1220-I1222 PolarHBondContact O-N 2.9Å; G1220-I1222 VanDerWaalsContact O-N 3.07Å
1223	L	67.3	Low	72.3	Confident	96 Å²	96	96.9 Å²	96.9	50%	0.503	46%	0.458	S	S	.	.	H	α-helix	trans	-85.7	-23.8	-178.3	-67.6	170.7	0	0	0	112.4	G1220 K1225 R1226 Y1227	G1220-L1223 PolarHBondContact O-N 2.89Å; L1223-K1225 PolarHBondContact O-N 3.07Å; L1223-K1225 VanDerWaalsContact O-N 3.16Å; L1223-R1226 PolarHBondContact O-N 3.47Å; L1223-Y1227 HydrophobicContact CB-CD2 4.21Å; L1223-Y1227 HydrophobicContact CB-CE2 4.36Å; L1223-Y1227 HydrophobicContact CD2-CE2 4.4Å; L1223-Y1227 WeakPolarHBondContact O-CD2 3.43Å; L1223-Y1227 PolarHBondContact O-N 3.32Å
1224	A	67.9	Low	72.3	Confident	5 Å²	5	95.1 Å²	95.1	4%	0.041	45%	0.45	C	S	.	.	H	α-helix	trans	-52.5	-36.8	178.7	0	0	0	0	0	113.4	V1216 G1220 R1226 Y1227 C1228	V1216-A1224 HydrophobicContact CB-CB 4.19Å; V1216-A1224 HydrophobicContact CG1-CB 3.95Å; V1216-A1224 HydrophobicContact CG2-CB 3.97Å; G1220-A1224 VanDerWaalsContact O-CB 3.29Å; G1220-A1224 WeakPolarHBondContact O-CB 3.34Å; G1220-A1224 PolarHBondContact O-N 3.3Å; A1224-R1226 PolarHBondContact O-N 2.87Å; A1224-R1226 VanDerWaalsContact O-N 3.09Å; A1224-Y1227 PolarHBondContact O-N 3.36Å; A1224-C1228 WeakPolarHBondContact O-CA 3.49Å; A1224-C1228 VanDerWaalsContact O-CB 3.27Å; A1224-C1228 WeakPolarHBondContact O-CB 3.27Å; A1224-C1228 PolarHBondContact O-N 3.31Å
1225	K	62.7	Low	72.4	Confident	191 Å²	191	88.9 Å²	88.9	83%	0.83	43%	0.427	S	S	*	.	H	α-helix	trans	-60.3	-23.7	179.3	-161.4	174.3	-174.5	176.2	0	113.4	L1223	L1223-K1225 PolarHBondContact O-N 3.07Å; L1223-K1225 VanDerWaalsContact O-N 3.16Å
1226	R	70.8	Confident	72.3	Confident	204 Å²	204	93.4 Å²	93.4	77%	0.77	44%	0.442	S	S	*	.	H	α-helix	trans	-95.9	-39	179.9	-162.5	176.5	-173.8	176.4	0.5	112.7	L1223 A1224	L1223-R1226 PolarHBondContact O-N 3.47Å; A1224-R1226 PolarHBondContact O-N 2.87Å; A1224-R1226 VanDerWaalsContact O-N 3.09Å
1227	Y	73	Confident	72.4	Confident	129 Å²	129	94.1 Å²	94.1	51%	0.506	45%	0.445	S	S	.	.	H	α-helix	trans	-98.2	-25.2	-172.6	-62.6	-68	0	0	0	114.2	Y1219 L1223 A1224	Y1219-Y1227 AromaticContact CD1-CD2 3.93Å; Y1219-Y1227 HydrophobicContact CD1-CD2 3.93Å; Y1219-Y1227 HydrophobicContact CD1-CG 4.25Å; Y1219-Y1227 HydrophobicContact CE1-CD2 4.25Å; Y1219-Y1227 HydrophobicContact CE1-CG 4.2Å; Y1219-Y1227 HydrophobicContact CG-CD2 4.34Å; L1223-Y1227 HydrophobicContact CB-CD2 4.21Å; L1223-Y1227 HydrophobicContact CB-CE2 4.36Å; L1223-Y1227 HydrophobicContact CD2-CE2 4.4Å; L1223-Y1227 WeakPolarHBondContact O-CD2 3.43Å; L1223-Y1227 PolarHBondContact O-N 3.32Å; A1224-Y1227 PolarHBondContact O-N 3.36Å
1228	C	78.4	Confident	72.4	Confident	1 Å²	1	87.4 Å²	87.4	1%	0.007	42%	0.416	C	S	.	.	S	Bend	trans	-101.3	8.7	-176.5	-54.8	0	0	0	0	113.8	Y1212 C1215 A1224 L1230 E1231 L1232	Y1212-C1228 HydrophobicContact CD2-CB 4.25Å; Y1212-C1228 HydrophobicContact CE2-CB 4.16Å; C1215-C1228 HydrophobicContact CB-CB 3.82Å; C1215-C1228 WeakPolarHBondContact CB-SG 3.33Å; C1215-C1228 PolarHBondContact O-SG 2.78Å; C1215-C1228 VanDerWaalsContact O-SG 3.35Å; C1215-C1228 WeakPolarHBondContact SG-CA 2.94Å; C1215-C1228 WeakPolarHBondContact SG-CB 3.41Å; C1215-C1228 CovalentContact SG-SG 2.05Å; C1215-C1228 PolarHBondContact SG-SG 2.74Å; A1224-C1228 WeakPolarHBondContact O-CA 3.49Å; A1224-C1228 VanDerWaalsContact O-CB 3.27Å; A1224-C1228 WeakPolarHBondContact O-CB 3.27Å; A1224-C1228 PolarHBondContact O-N 3.31Å; C1228-L1230 PolarHBondContact O-N 2.85Å; C1228-E1231 PolarHBondContact O-N 2.8Å; C1228-L1232 PolarHBondContact O-N 3.29Å
1229	D	76.9	Confident	72.3	Confident	57 Å²	57	89.1 Å²	89.1	31%	0.305	41%	0.406	S	S	.	.	H	α-helix	trans	-60.2	-33.2	-177.9	-177.4	40.1	0	0	0	112.4	L1232 R1233	D1229-L1232 PolarHBondContact O-N 3.41Å; D1229-R1233 WeakPolarHBondContact O-CB 3.44Å; D1229-R1233 VanDerWaalsContact O-CG 3.24Å; D1229-R1233 WeakPolarHBondContact O-CG 3.34Å; D1229-R1233 PolarHBondContact O-N 2.83Å; D1229-R1233 IonicContact OD1-CZ 2.77Å; D1229-R1233 IonicContact OD1-NE 2.67Å; D1229-R1233 PolarHBondContact OD1-NE 3.34Å; D1229-R1233 VanDerWaalsContact OD1-NE 3.13Å; D1229-R1233 IonicContact OD1-NH2 3.99Å; D1229-R1233 IonicContact OD2-CZ 3.33Å; D1229-R1233 IonicContact OD2-NE 3.24Å; D1229-R1233 PolarHBondContact OD2-NE 2.94Å; D1229-R1233 IonicContact OD2-NH2 3.59Å; D1229-R1233 PolarHBondContact OD2-NH2 3.49Å
1230	L	77.9	Confident	72.2	Confident	71 Å²	71	89.2 Å²	89.2	37%	0.372	41%	0.406	S	S	.	.	H	α-helix	trans	-64	-51.6	174.9	-75.6	163.7	0	0	0	111.9	C1228 L1232 R1233 D1234 Y1282	C1228-L1230 PolarHBondContact O-N 2.85Å; L1230-L1232 VanDerWaalsContact C-N 3.26Å; L1230-L1232 PolarHBondContact O-N 2.74Å; L1230-R1233 PolarHBondContact O-N 2.98Å; L1230-D1234 PolarHBondContact O-N 2.87Å; L1230-Y1282 HydrophobicContact CD2-CE1 4Å
1231	E	78.9	Confident	72.4	Confident	57 Å²	57	92.7 Å²	92.7	27%	0.266	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-37.8	177.9	-63.1	-61.6	156.3	0	0	111.6	N1211 Y1212 C1215 C1228 D1234 F1235	N1211-E1231 VanDerWaalsContact CB-OE2 3.24Å; N1211-E1231 WeakPolarHBondContact CB-OE2 3.4Å; Y1212-E1231 HydrophobicContact CD2-CB 4.23Å; C1215-E1231 HydrophobicContact CB-CG 4.35Å; C1228-E1231 PolarHBondContact O-N 2.8Å; E1231-D1234 PolarHBondContact O-N 3.07Å; E1231-F1235 WeakPolarHBondContact O-CB 3.49Å; E1231-F1235 PolarHBondContact O-N 3.02Å
1232	L	76.7	Confident	72.3	Confident	48 Å²	48	88 Å²	88	25%	0.251	40%	0.397	S	S	.	.	H	α-helix	trans	-63.2	-48.1	175.4	-171.7	59.8	0	0	0	111.2	Y1212 C1228 D1229 L1230 D1234 F1235 Y1236	Y1212-L1232 HydrophobicContact CD1-CD1 4.32Å; Y1212-L1232 HydrophobicContact CD2-CB 3.88Å; Y1212-L1232 HydrophobicContact CD2-CD1 4.07Å; Y1212-L1232 HydrophobicContact CE1-CD1 3.96Å; Y1212-L1232 HydrophobicContact CE2-CB 3.76Å; Y1212-L1232 HydrophobicContact CE2-CD1 3.7Å; Y1212-L1232 HydrophobicContact CE2-CD2 4.4Å; Y1212-L1232 HydrophobicContact CE2-CG 4.16Å; Y1212-L1232 HydrophobicContact CG-CD1 4.37Å; C1228-L1232 PolarHBondContact O-N 3.29Å; D1229-L1232 PolarHBondContact O-N 3.41Å; L1230-L1232 VanDerWaalsContact C-N 3.26Å; L1230-L1232 PolarHBondContact O-N 2.74Å; L1232-D1234 VanDerWaalsContact C-N 3.33Å; L1232-D1234 PolarHBondContact O-N 3.25Å; L1232-F1235 PolarHBondContact O-N 2.89Å; L1232-Y1236 HydrophobicContact CD1-CD2 3.73Å; L1232-Y1236 HydrophobicContact CD1-CE2 3.52Å; L1232-Y1236 HydrophobicContact CG-CD2 3.88Å; L1232-Y1236 HydrophobicContact CG-CE2 3.92Å; L1232-Y1236 VanDerWaalsContact O-CD2 3.3Å; L1232-Y1236 WeakPolarHBondContact O-CD2 3.35Å; L1232-Y1236 PolarHBondContact O-N 3.19Å
1233	R	74.9	Confident	72.1	Confident	148 Å²	148	86.8 Å²	86.8	56%	0.558	39%	0.386	S	S	*	.	H	α-helix	trans	-64.2	-37.6	179.9	-73.2	176.1	-163.7	-158.9	8.1	112.4	D1229 L1230 Y1236 E1237	D1229-R1233 WeakPolarHBondContact O-CB 3.44Å; D1229-R1233 VanDerWaalsContact O-CG 3.24Å; D1229-R1233 WeakPolarHBondContact O-CG 3.34Å; D1229-R1233 PolarHBondContact O-N 2.83Å; D1229-R1233 IonicContact OD1-CZ 2.77Å; D1229-R1233 IonicContact OD1-NE 2.67Å; D1229-R1233 PolarHBondContact OD1-NE 3.34Å; D1229-R1233 VanDerWaalsContact OD1-NE 3.13Å; D1229-R1233 IonicContact OD1-NH2 3.99Å; D1229-R1233 IonicContact OD2-CZ 3.33Å; D1229-R1233 IonicContact OD2-NE 3.24Å; D1229-R1233 PolarHBondContact OD2-NE 2.94Å; D1229-R1233 IonicContact OD2-NH2 3.59Å; D1229-R1233 PolarHBondContact OD2-NH2 3.49Å; L1230-R1233 PolarHBondContact O-N 2.98Å; R1233-Y1236 PolarHBondContact O-N 3.32Å; R1233-E1237 WeakPolarHBondContact O-CB 3.49Å; R1233-E1237 PolarHBondContact O-N 3.41Å
1234	D	77.6	Confident	71.9	Confident	66 Å²	66	85.4 Å²	85.4	35%	0.353	38%	0.384	S	S	.	.	H	α-helix	trans	-67.5	-40.3	177	-74.1	-11.6	0	0	0	111.2	F1208 L1230 E1231 L1232 E1237 C1238	F1208-D1234 HydrophobicContact CD1-CB 3.79Å; F1208-D1234 HydrophobicContact CE1-CB 3.97Å; L1230-D1234 PolarHBondContact O-N 2.87Å; E1231-D1234 PolarHBondContact O-N 3.07Å; L1232-D1234 VanDerWaalsContact C-N 3.33Å; L1232-D1234 PolarHBondContact O-N 3.25Å; D1234-E1237 PolarHBondContact O-N 2.95Å; D1234-C1238 WeakPolarHBondContact O-CB 3.42Å; D1234-C1238 PolarHBondContact O-N 3.24Å
1235	F	77.9	Confident	71.4	Confident	32 Å²	32	90.9 Å²	90.9	14%	0.14	41%	0.409	C	S	.	.	H	α-helix	trans	-60.4	-47.3	171.1	174.4	-109	0	0	0	112.2	C1205 F1208 E1209 E1231 L1232 E1237 C1238 Y1239	C1205-F1235 HydrophobicContact CB-CE2 4.29Å; F1208-F1235 HydrophobicContact CB-CB 4.02Å; F1208-F1235 HydrophobicContact CB-CD2 4.13Å; E1209-F1235 HydrophobicContact CB-CD2 3.92Å; E1209-F1235 HydrophobicContact CB-CE2 3.69Å; E1209-F1235 HydrophobicContact CB-CZ 4.49Å; E1209-F1235 HydrophobicContact CG-CE2 4.14Å; E1209-F1235 HydrophobicContact CG-CZ 4.47Å; E1231-F1235 WeakPolarHBondContact O-CB 3.49Å; E1231-F1235 PolarHBondContact O-N 3.02Å; L1232-F1235 PolarHBondContact O-N 2.89Å; F1235-E1237 PolarHBondContact O-N 2.76Å; F1235-C1238 PolarHBondContact O-N 2.9Å; F1235-Y1239 WeakPolarHBondContact O-CB 3.11Å; F1235-Y1239 PolarHBondContact O-N 3.4Å
1236	Y	72.8	Confident	71.4	Confident	115 Å²	115	88.1 Å²	88.1	45%	0.451	40%	0.399	S	S	.	.	H	α-helix	trans	-63.2	-41.2	177.9	-92.9	-95.9	0	0	0	112.3	L1232 R1233 Y1239 Y1240	L1232-Y1236 HydrophobicContact CD1-CD2 3.73Å; L1232-Y1236 HydrophobicContact CD1-CE2 3.52Å; L1232-Y1236 HydrophobicContact CG-CD2 3.88Å; L1232-Y1236 HydrophobicContact CG-CE2 3.92Å; L1232-Y1236 VanDerWaalsContact O-CD2 3.3Å; L1232-Y1236 WeakPolarHBondContact O-CD2 3.35Å; L1232-Y1236 PolarHBondContact O-N 3.19Å; R1233-Y1236 PolarHBondContact O-N 3.32Å; Y1236-Y1239 PolarHBondContact O-N 3.22Å; Y1236-Y1240 AromaticContact CD1-CD2 3.34Å; Y1236-Y1240 HydrophobicContact CD1-CD2 3.34Å; Y1236-Y1240 AromaticContact CD1-CE2 3.18Å; Y1236-Y1240 HydrophobicContact CD1-CE2 3.18Å; Y1236-Y1240 AromaticContact CE1-CD2 3.98Å; Y1236-Y1240 HydrophobicContact CE1-CD2 3.98Å; Y1236-Y1240 AromaticContact CE1-CE2 3.33Å; Y1236-Y1240 HydrophobicContact CE1-CE2 3.33Å; Y1236-Y1240 HydrophobicContact CG-CD2 4.13Å; Y1236-Y1240 HydrophobicContact CG-CE2 4.14Å; Y1236-Y1240 WeakPolarHBondContact O-CB 3.09Å; Y1236-Y1240 WeakPolarHBondContact O-CD2 3.3Å; Y1236-Y1240 PolarHBondContact O-N 3.14Å
1237	E	74.5	Confident	71	Confident	31 Å²	31	87 Å²	87	15%	0.145	39%	0.394	C	S	.	.	H	α-helix	trans	-67.3	-37.3	177.2	-178.9	56.9	-156.9	0	0	111.8	R1233 D1234 F1235 Y1239 H1241 T1242 K1243 S1244	R1233-E1237 WeakPolarHBondContact O-CB 3.49Å; R1233-E1237 PolarHBondContact O-N 3.41Å; D1234-E1237 PolarHBondContact O-N 2.95Å; F1235-E1237 PolarHBondContact O-N 2.76Å; E1237-Y1239 VanDerWaalsContact C-N 3.29Å; E1237-Y1239 PolarHBondContact O-N 3.33Å; E1237-H1241 VanDerWaalsContact O-CA 3.25Å; E1237-H1241 WeakPolarHBondContact O-CA 3.37Å; E1237-H1241 PolarHBondContact O-N 2.92Å; E1237-T1242 PolarHBondContact OE2-N 2.94Å; E1237-T1242 VanDerWaalsContact OE2-N 3.15Å; E1237-T1242 PolarHBondContact OE2-OG1 3.36Å; E1237-K1243 VanDerWaalsContact CD-N 3.32Å; E1237-K1243 HydrophobicContact CG-CD 4.35Å; E1237-K1243 WeakPolarHBondContact OE1-CB 3.29Å; E1237-K1243 PolarHBondContact OE1-N 3.34Å; E1237-K1243 WeakPolarHBondContact OE2-CG 3.33Å; E1237-K1243 PolarHBondContact OE2-N 3.31Å; E1237-S1244 PolarHBondContact OE1-N 2.85Å; E1237-S1244 PolarHBondContact OE1-OG 3.03Å
1238	C	74.8	Confident	70.5	Confident	27 Å²	27	86.6 Å²	86.6	18%	0.182	40%	0.396	C	S	.	.	H	α-helix	trans	-64.3	-36	174.3	-169.3	0	0	0	0	111.9	C1205 F1208 D1234 F1235 H1241	C1205-C1238 PolarHBondContact SG-SG 3.47Å; F1208-C1238 HydrophobicContact CD2-CB 3.8Å; F1208-C1238 HydrophobicContact CE2-CB 4.09Å; F1208-C1238 HydrophobicContact CG-CB 4.45Å; D1234-C1238 WeakPolarHBondContact O-CB 3.42Å; D1234-C1238 PolarHBondContact O-N 3.24Å; F1235-C1238 PolarHBondContact O-N 2.9Å; C1238-H1241 PolarHBondContact O-CE1 2.86Å
1239	Y	69.6	Low	69.7	Low	118 Å²	118	91.4 Å²	91.4	46%	0.463	42%	0.418	S	S	.	.	H	α-helix	trans	-83.7	-44.7	-177.3	-174.6	-89	0	0	0	113.4	M1200 F1235 Y1236 E1237	M1200-Y1239 HydrophobicContact SD-CD2 4.28Å; M1200-Y1239 HydrophobicContact SD-CE2 4.03Å; F1235-Y1239 WeakPolarHBondContact O-CB 3.11Å; F1235-Y1239 PolarHBondContact O-N 3.4Å; Y1236-Y1239 PolarHBondContact O-N 3.22Å; E1237-Y1239 VanDerWaalsContact C-N 3.29Å; E1237-Y1239 PolarHBondContact O-N 3.33Å
1240	Y	72.3	Confident	69.3	Low	116 Å²	116	96 Å²	96	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-102.1	-9.6	-172.4	-64.3	-77.7	0	0	0	113.8	Y1236 T1242	Y1236-Y1240 AromaticContact CD1-CD2 3.34Å; Y1236-Y1240 HydrophobicContact CD1-CD2 3.34Å; Y1236-Y1240 AromaticContact CD1-CE2 3.18Å; Y1236-Y1240 HydrophobicContact CD1-CE2 3.18Å; Y1236-Y1240 AromaticContact CE1-CD2 3.98Å; Y1236-Y1240 HydrophobicContact CE1-CD2 3.98Å; Y1236-Y1240 AromaticContact CE1-CE2 3.33Å; Y1236-Y1240 HydrophobicContact CE1-CE2 3.33Å; Y1236-Y1240 HydrophobicContact CG-CD2 4.13Å; Y1236-Y1240 HydrophobicContact CG-CE2 4.14Å; Y1236-Y1240 WeakPolarHBondContact O-CB 3.09Å; Y1236-Y1240 WeakPolarHBondContact O-CD2 3.3Å; Y1236-Y1240 PolarHBondContact O-N 3.14Å; Y1240-T1242 PolarHBondContact O-N 3.16Å
1241	H	68.2	Low	68.9	Low	106 Å²	106	95.4 Å²	95.4	49%	0.491	43%	0.432	S	S	.	.			trans	51.2	29.2	180	-61	-51.2	0	0	0	114.7	E1237 C1238 K1243 S1244 E1245	E1237-H1241 VanDerWaalsContact O-CA 3.25Å; E1237-H1241 WeakPolarHBondContact O-CA 3.37Å; E1237-H1241 PolarHBondContact O-N 2.92Å; C1238-H1241 PolarHBondContact O-CE1 2.86Å; H1241-K1243 PolarHBondContact O-N 3.39Å; H1241-S1244 WeakPolarHBondContact O-CA 3.27Å; H1241-S1244 VanDerWaalsContact O-CB 3.27Å; H1241-S1244 WeakPolarHBondContact O-CB 3.47Å; H1241-S1244 PolarHBondContact O-N 3.24Å; H1241-E1245 PolarHBondContact O-N 3.37Å
1242	T	61.6	Low	68.4	Low	68 Å²	68	100.3 Å²	100.3	42%	0.417	45%	0.448	S	S	.	.	H	α-helix	trans	-60.6	-39.9	-168.3	50.6	0	0	0	0	114	E1237 Y1240 S1244 Q1246	E1237-T1242 PolarHBondContact OE2-N 2.94Å; E1237-T1242 VanDerWaalsContact OE2-N 3.15Å; E1237-T1242 PolarHBondContact OE2-OG1 3.36Å; Y1240-T1242 PolarHBondContact O-N 3.16Å; T1242-S1244 VanDerWaalsContact C-N 3.35Å; T1242-Q1246 WeakPolarHBondContact O-CG 3.46Å; T1242-Q1246 PolarHBondContact O-N 2.83Å
1243	K	60.2	Low	68.1	Low	137 Å²	137	104.1 Å²	104.1	60%	0.596	46%	0.464	S	S	*	.	H	α-helix	trans	-71.7	-34.6	176.5	-65.1	173.5	-178.8	169.5	0	111	E1237 H1241 Q1246 R1247	E1237-K1243 VanDerWaalsContact CD-N 3.32Å; E1237-K1243 HydrophobicContact CG-CD 4.35Å; E1237-K1243 WeakPolarHBondContact OE1-CB 3.29Å; E1237-K1243 PolarHBondContact OE1-N 3.34Å; E1237-K1243 WeakPolarHBondContact OE2-CG 3.33Å; E1237-K1243 PolarHBondContact OE2-N 3.31Å; H1241-K1243 PolarHBondContact O-N 3.39Å; K1243-Q1246 PolarHBondContact O-N 2.92Å; K1243-R1247 WeakPolarHBondContact O-CB 3.35Å; K1243-R1247 PolarHBondContact O-N 2.8Å
1244	S	62.8	Low	68	Low	67 Å²	67	100.4 Å²	100.4	47%	0.469	45%	0.453	S	S	.	.	H	α-helix	trans	-62.9	-44.8	176.4	-50.5	0	0	0	0	110.9	E1237 H1241 T1242 R1247 F1248	E1237-S1244 PolarHBondContact OE1-N 2.85Å; E1237-S1244 PolarHBondContact OE1-OG 3.03Å; H1241-S1244 WeakPolarHBondContact O-CA 3.27Å; H1241-S1244 VanDerWaalsContact O-CB 3.27Å; H1241-S1244 WeakPolarHBondContact O-CB 3.47Å; H1241-S1244 PolarHBondContact O-N 3.24Å; T1242-S1244 VanDerWaalsContact C-N 3.35Å; S1244-R1247 PolarHBondContact O-N 2.82Å; S1244-F1248 WeakPolarHBondContact O-CB 3.01Å; S1244-F1248 PolarHBondContact O-N 3.44Å
1245	E	57.8	Low	67.6	Low	119 Å²	119	105 Å²	105	56%	0.556	47%	0.466	S	S	*	.	H	α-helix	trans	-63.8	-46	174.1	-75.3	-166.5	152.6	0	0	112.2	H1241 R1247 F1248 H1249	H1241-E1245 PolarHBondContact O-N 3.37Å; E1245-R1247 VanDerWaalsContact C-N 3.26Å; E1245-R1247 PolarHBondContact O-N 2.85Å; E1245-F1248 WeakPolarHBondContact O-CB 3.43Å; E1245-F1248 PolarHBondContact O-N 2.89Å; E1245-F1248 VanDerWaalsContact O-N 3.16Å; E1245-H1249 PolarHBondContact O-CD2 2.99Å; E1245-H1249 PolarHBondContact O-N 2.95Å
1246	Q	62.1	Low	67.1	Low	133 Å²	133	109.2 Å²	109.2	62%	0.621	49%	0.487	S	S	*	.	H	α-helix	trans	-60	-38.1	176.6	-74.9	179.5	5.2	0	0	112.2	T1242 K1243 H1249 K1250	T1242-Q1246 WeakPolarHBondContact O-CG 3.46Å; T1242-Q1246 PolarHBondContact O-N 2.83Å; K1243-Q1246 PolarHBondContact O-N 2.92Å; Q1246-H1249 PolarHBondContact O-N 3.26Å; Q1246-K1250 PolarHBondContact O-N 3.46Å
1247	R	61.5	Low	67.2	Low	180 Å²	180	110.9 Å²	110.9	68%	0.679	49%	0.493	S	S	*	.	H	α-helix	trans	-67.4	-42.8	175.9	-154.9	175.9	-171	-175.9	0.5	110.9	K1243 S1244 E1245 H1249 K1250 I1251	K1243-R1247 WeakPolarHBondContact O-CB 3.35Å; K1243-R1247 PolarHBondContact O-N 2.8Å; S1244-R1247 PolarHBondContact O-N 2.82Å; E1245-R1247 VanDerWaalsContact C-N 3.26Å; E1245-R1247 PolarHBondContact O-N 2.85Å; R1247-H1249 VanDerWaalsContact C-N 3.35Å; R1247-H1249 PolarHBondContact O-N 3.12Å; R1247-K1250 PolarHBondContact O-N 3Å; R1247-I1251 VanDerWaalsContact O-CG1 3.28Å; R1247-I1251 WeakPolarHBondContact O-CG1 3.45Å; R1247-I1251 PolarHBondContact O-N 3.4Å
1248	F	63.3	Low	67.1	Low	122 Å²	122	111.3 Å²	111.3	54%	0.535	50%	0.495	S	S	.	.	H	α-helix	trans	-58.7	-45.4	173.5	-179.2	-97.8	0	0	0	111.8	S1244 E1245 I1251 R1252	S1244-F1248 WeakPolarHBondContact O-CB 3.01Å; S1244-F1248 PolarHBondContact O-N 3.44Å; E1245-F1248 WeakPolarHBondContact O-CB 3.43Å; E1245-F1248 PolarHBondContact O-N 2.89Å; E1245-F1248 VanDerWaalsContact O-N 3.16Å; F1248-I1251 PolarHBondContact O-N 3.47Å; F1248-R1252 WeakPolarHBondContact O-CB 3.39Å; F1248-R1252 PolarHBondContact O-N 2.99Å
1249	H	61.6	Low	66.9	Low	101 Å²	101	116.1 Å²	116.1	47%	0.468	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-44.6	177.2	-83.8	-72	0	0	0	112.4	E1245 Q1246 R1247 I1251 R1252 E1253	E1245-H1249 PolarHBondContact O-CD2 2.99Å; E1245-H1249 PolarHBondContact O-N 2.95Å; Q1246-H1249 PolarHBondContact O-N 3.26Å; R1247-H1249 VanDerWaalsContact C-N 3.35Å; R1247-H1249 PolarHBondContact O-N 3.12Å; H1249-I1251 PolarHBondContact O-N 3.36Å; H1249-R1252 WeakPolarHBondContact O-CB 3.48Å; H1249-R1252 PolarHBondContact O-N 3.49Å; H1249-R1252 VanDerWaalsContact O-N 3.12Å; H1249-E1253 WeakPolarHBondContact O-CG 3.45Å; H1249-E1253 PolarHBondContact O-N 3.22Å
1250	K	68.2	Low	67	Low	153 Å²	153	117 Å²	117	67%	0.665	53%	0.525	S	S	*	.	H	α-helix	trans	-61.6	-41.4	174.7	-84	-172.4	174.5	-179.5	0	112.9	Q1246 R1247 R1252 E1253 E1254	Q1246-K1250 PolarHBondContact O-N 3.46Å; R1247-K1250 PolarHBondContact O-N 3Å; K1250-R1252 VanDerWaalsContact C-N 3.26Å; K1250-R1252 PolarHBondContact O-N 3.28Å; K1250-E1253 PolarHBondContact O-N 2.92Å; K1250-E1254 WeakPolarHBondContact O-CB 3.39Å; K1250-E1254 PolarHBondContact O-N 2.93Å
1251	I	70.3	Confident	67.3	Low	60 Å²	60	117.2 Å²	117.2	31%	0.308	53%	0.534	S	S	.	.	H	α-helix	trans	-60.7	-41.2	174.6	-69.6	165.3	0	0	0	110	R1247 F1248 H1249 E1254 R1255 F1268	R1247-I1251 VanDerWaalsContact O-CG1 3.28Å; R1247-I1251 WeakPolarHBondContact O-CG1 3.45Å; R1247-I1251 PolarHBondContact O-N 3.4Å; F1248-I1251 PolarHBondContact O-N 3.47Å; H1249-I1251 PolarHBondContact O-N 3.36Å; I1251-E1254 PolarHBondContact O-N 2.87Å; I1251-R1255 WeakPolarHBondContact O-CB 3.33Å; I1251-R1255 WeakPolarHBondContact O-CG 3.5Å; I1251-R1255 PolarHBondContact O-N 3.25Å; I1251-F1268 HydrophobicContact CG1-CE1 4.18Å; I1251-F1268 HydrophobicContact CG1-CE2 4.35Å; I1251-F1268 HydrophobicContact CG1-CZ 3.82Å; I1251-F1268 HydrophobicContact CG2-CE2 4.41Å
1252	R	67.7	Low	67.4	Low	159 Å²	159	114.6 Å²	114.6	60%	0.6	54%	0.535	S	S	*	.	H	α-helix	trans	-68.5	-41	-179.6	-158.6	176.2	173.4	179.4	-1.8	112.2	F1248 H1249 K1250 M1256	F1248-R1252 WeakPolarHBondContact O-CB 3.39Å; F1248-R1252 PolarHBondContact O-N 2.99Å; H1249-R1252 WeakPolarHBondContact O-CB 3.48Å; H1249-R1252 PolarHBondContact O-N 3.49Å; H1249-R1252 VanDerWaalsContact O-N 3.12Å; K1250-R1252 VanDerWaalsContact C-N 3.26Å; K1250-R1252 PolarHBondContact O-N 3.28Å; R1252-M1256 WeakPolarHBondContact O-CB 3.44Å; R1252-M1256 PolarHBondContact O-N 2.86Å
1253	E	71.2	Confident	67.7	Low	128 Å²	128	115.3 Å²	115.3	60%	0.598	54%	0.537	S	S	*	.	H	α-helix	trans	-61.4	-44.8	173	-76.2	-179	167	0	0	111.6	H1249 K1250 M1256 R1257	H1249-E1253 WeakPolarHBondContact O-CG 3.45Å; H1249-E1253 PolarHBondContact O-N 3.22Å; K1250-E1253 PolarHBondContact O-N 2.92Å; E1253-M1256 WeakPolarHBondContact O-CB 3.32Å; E1253-M1256 PolarHBondContact O-N 3.27Å; E1253-R1257 PolarHBondContact O-N 2.83Å
1254	E	71.7	Confident	68	Low	70 Å²	70	117.3 Å²	117.3	33%	0.327	54%	0.541	S	S	.	.	H	α-helix	trans	-72	-36.8	-178.9	-164.7	59.9	-161	0	0	112.2	K1250 I1251 M1256 R1257 Q1258 F1268	K1250-E1254 WeakPolarHBondContact O-CB 3.39Å; K1250-E1254 PolarHBondContact O-N 2.93Å; I1251-E1254 PolarHBondContact O-N 2.87Å; E1254-M1256 VanDerWaalsContact C-N 3.26Å; E1254-M1256 PolarHBondContact O-N 3.37Å; E1254-R1257 WeakPolarHBondContact O-CB 3.28Å; E1254-R1257 PolarHBondContact O-N 3.41Å; E1254-R1257 VanDerWaalsContact O-N 3.16Å; E1254-R1257 WeakPolarHBondContact OE2-CD 3.12Å; E1254-R1257 IonicContact OE2-NH1 3.13Å; E1254-R1257 PolarHBondContact OE2-NH1 3.11Å; E1254-Q1258 WeakPolarHBondContact O-CG 3.5Å; E1254-Q1258 PolarHBondContact O-N 2.78Å; E1254-F1268 HydrophobicContact CB-CE2 4.08Å; E1254-F1268 HydrophobicContact CG-CE2 4.16Å
1255	R	69.5	Low	68.1	Low	164 Å²	164	121.8 Å²	121.8	62%	0.619	56%	0.559	S	S	*	*	H	α-helix	trans	-56.9	-42	167.4	-88.9	-89.9	-165.4	168.8	1.3	111.5	I1251 R1257 Q1258 F1259	I1251-R1255 WeakPolarHBondContact O-CB 3.33Å; I1251-R1255 WeakPolarHBondContact O-CG 3.5Å; I1251-R1255 PolarHBondContact O-N 3.25Å; R1255-R1257 VanDerWaalsContact C-N 3.34Å; R1255-Q1258 PolarHBondContact O-N 3.31Å; R1255-F1259 WeakPolarHBondContact O-CB 3.35Å; R1255-F1259 PolarHBondContact O-N 3.16Å
1256	M	67.6	Low	67.9	Low	120 Å²	120	123 Å²	123	59%	0.591	56%	0.559	S	S	*	*	H	α-helix	trans	-67.4	-37.6	177.9	-163.7	138.8	68	0	0	111.1	R1252 E1253 E1254 F1259 L1260	R1252-M1256 WeakPolarHBondContact O-CB 3.44Å; R1252-M1256 PolarHBondContact O-N 2.86Å; E1253-M1256 WeakPolarHBondContact O-CB 3.32Å; E1253-M1256 PolarHBondContact O-N 3.27Å; E1254-M1256 VanDerWaalsContact C-N 3.26Å; E1254-M1256 PolarHBondContact O-N 3.37Å; M1256-F1259 WeakPolarHBondContact O-CB 3.34Å; M1256-F1259 PolarHBondContact O-N 3.26Å; M1256-L1260 VanDerWaalsContact O-CG 3.28Å; M1256-L1260 WeakPolarHBondContact O-CG 3.49Å; M1256-L1260 PolarHBondContact O-N 2.79Å
1257	R	74	Confident	67.7	Low	150 Å²	150	121.7 Å²	121.7	57%	0.566	56%	0.561	S	S	*	*	H	α-helix	trans	-63.8	-45.4	173	-162.7	-169.6	-134.8	126.2	4.1	112.5	E1253 E1254 R1255 F1259 L1260 N1261	E1253-R1257 PolarHBondContact O-N 2.83Å; E1254-R1257 WeakPolarHBondContact O-CB 3.28Å; E1254-R1257 PolarHBondContact O-N 3.41Å; E1254-R1257 VanDerWaalsContact O-N 3.16Å; E1254-R1257 WeakPolarHBondContact OE2-CD 3.12Å; E1254-R1257 IonicContact OE2-NH1 3.13Å; E1254-R1257 PolarHBondContact OE2-NH1 3.11Å; R1255-R1257 VanDerWaalsContact C-N 3.34Å; R1257-F1259 VanDerWaalsContact C-N 3.33Å; R1257-F1259 PolarHBondContact O-N 2.84Å; R1257-L1260 PolarHBondContact O-N 2.76Å; R1257-N1261 PolarHBondContact O-N 3.46Å
1258	Q	73.9	Confident	67.2	Low	39 Å²	39	116.9 Å²	116.9	18%	0.182	55%	0.546	C	S	.	.	H	α-helix	trans	-62.2	-40.8	175.5	-71.8	174.4	-6.8	0	0	111.5	E1254 R1255 L1260 N1261 G1262 D1263	E1254-Q1258 WeakPolarHBondContact O-CG 3.5Å; E1254-Q1258 PolarHBondContact O-N 2.78Å; R1255-Q1258 PolarHBondContact O-N 3.31Å; Q1258-L1260 VanDerWaalsContact C-N 3.34Å; Q1258-L1260 PolarHBondContact O-N 2.91Å; Q1258-N1261 PolarHBondContact O-N 2.95Å; Q1258-G1262 PolarHBondContact O-N 3.27Å; Q1258-G1262 VanDerWaalsContact O-N 3.13Å; Q1258-D1263 PolarHBondContact O-N 3.2Å
1259	F	69.9	Low	66.5	Low	128 Å²	128	116.1 Å²	116.1	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-60.5	-43.1	175.3	-177.1	-92.8	0	0	0	112.1	R1255 M1256 R1257 N1261 G1262	R1255-F1259 WeakPolarHBondContact O-CB 3.35Å; R1255-F1259 PolarHBondContact O-N 3.16Å; M1256-F1259 WeakPolarHBondContact O-CB 3.34Å; M1256-F1259 PolarHBondContact O-N 3.26Å; R1257-F1259 VanDerWaalsContact C-N 3.33Å; R1257-F1259 PolarHBondContact O-N 2.84Å; F1259-N1261 VanDerWaalsContact C-N 3.31Å; F1259-N1261 PolarHBondContact O-N 3.48Å; F1259-G1262 PolarHBondContact O-N 3.13Å
1260	L	72.6	Confident	65.7	Low	136 Å²	136	118.8 Å²	118.8	71%	0.712	56%	0.556	S	S	*	*	H	α-helix	trans	-67.6	-30.1	177.3	-71.5	168.8	0	0	0	112.8	M1256 R1257 Q1258	M1256-L1260 VanDerWaalsContact O-CG 3.28Å; M1256-L1260 WeakPolarHBondContact O-CG 3.49Å; M1256-L1260 PolarHBondContact O-N 2.79Å; R1257-L1260 PolarHBondContact O-N 2.76Å; Q1258-L1260 VanDerWaalsContact C-N 3.34Å; Q1258-L1260 PolarHBondContact O-N 2.91Å
1261	N	76.7	Confident	64.1	Low	121 Å²	121	119.2 Å²	119.2	65%	0.647	56%	0.561	S	S	*	*	H	α-helix	trans	-90.1	-1.3	-179.7	-71.5	-10.4	0	0	0	114.3	R1257 Q1258 F1259	R1257-N1261 PolarHBondContact O-N 3.46Å; Q1258-N1261 PolarHBondContact O-N 2.95Å; F1259-N1261 VanDerWaalsContact C-N 3.31Å; F1259-N1261 PolarHBondContact O-N 3.48Å
1262	G	71.9	Confident	62.4	Low	51 Å²	51	124 Å²	124	53%	0.526	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	84.8	0.5	175.5	0	0	0	0	0	115.8	Q1258 F1259 R1264	Q1258-G1262 PolarHBondContact O-N 3.27Å; Q1258-G1262 VanDerWaalsContact O-N 3.13Å; F1259-G1262 PolarHBondContact O-N 3.13Å; G1262-R1264 VanDerWaalsContact C-N 3.3Å; G1262-R1264 PolarHBondContact O-N 3.39Å
1263	D	66.9	Low	60.7	Low	84 Å²	84	122.1 Å²	122.1	45%	0.449	59%	0.585	S	S	.	*			trans	-85.5	64.9	-179.3	-78.7	-22.4	0	0	0	111.3	Q1258 D1265	Q1258-D1263 PolarHBondContact O-N 3.2Å; D1263-D1265 PolarHBondContact O-N 3.37Å
1264	R	66.3	Low	58.8	Low	179 Å²	179	120 Å²	120	68%	0.675	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-27.7	-171	-66.3	-176.8	179	-177.2	0.9	114.9	G1262	G1262-R1264 VanDerWaalsContact C-N 3.3Å; G1262-R1264 PolarHBondContact O-N 3.39Å
1265	D	65.4	Low	57.2	Low	160 Å²	160	122.3 Å²	122.3	86%	0.856	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	7.6	-171.1	-62.5	-36.3	0	0	0	113.7	D1263 P1267	D1263-D1265 PolarHBondContact O-N 3.37Å; D1265-P1267 WeakPolarHBondContact O-CD 2.87Å
1266	R	54.1	Low	55.5	Low	146 Å²	146	122.5 Å²	122.5	55%	0.551	61%	0.605	S	S	*	*			trans	-81.6	117.6	-179.5	-150.2	176.2	-175.4	179.3	-0.1	109.8
1267	P	56.4	Low	53.9	Low	104 Å²	104	120.5 Å²	120.5	68%	0.675	61%	0.607	S	S	*	*			trans	-61.5	142.8	176	24	-31.6	0	0	0	110.1	D1265 E1269	D1265-P1267 WeakPolarHBondContact O-CD 2.87Å; P1267-E1269 PolarHBondContact O-N 2.91Å
1268	F	51.6	Low	52	Low	80 Å²	80	117.2 Å²	117.2	35%	0.351	61%	0.607	S	S	.	*			trans	-62.9	105.9	176.4	-168.3	-92.4	0	0	0	107.7	I1251 E1254 E1270	I1251-F1268 HydrophobicContact CG1-CE1 4.18Å; I1251-F1268 HydrophobicContact CG1-CE2 4.35Å; I1251-F1268 HydrophobicContact CG1-CZ 3.82Å; I1251-F1268 HydrophobicContact CG2-CE2 4.41Å; E1254-F1268 HydrophobicContact CB-CE2 4.08Å; E1254-F1268 HydrophobicContact CG-CE2 4.16Å; F1268-E1270 VanDerWaalsContact C-N 3.29Å; F1268-E1270 HydrophobicContact CD1-CG 3.97Å; F1268-E1270 HydrophobicContact CE1-CG 4.36Å; F1268-E1270 PolarHBondContact O-N 3Å
1269	E	48.1	Very low	49.8	Very low	105 Å²	105	119.5 Å²	119.5	49%	0.491	63%	0.627	S	S	.	*			trans	-65.2	92.3	175.8	-73.9	-178.3	-171.4	0	0	107.5	P1267 E1271 K1272	P1267-E1269 PolarHBondContact O-N 2.91Å; E1269-E1271 PolarHBondContact O-N 2.73Å; E1269-K1272 IonicContact OE1-NZ 3.86Å; E1269-K1272 WeakPolarHBondContact OE2-CE 3.47Å; E1269-K1272 IonicContact OE2-NZ 2.66Å; E1269-K1272 PolarHBondContact OE2-NZ 3.31Å
1270	E	44.8	Very low	48	Very low	157 Å²	157	120.9 Å²	120.9	73%	0.734	64%	0.635	S	S	*	*			trans	-62	-9.6	-173.1	-111.5	176.3	175.5	0	0	114.1	F1268	F1268-E1270 VanDerWaalsContact C-N 3.29Å; F1268-E1270 HydrophobicContact CD1-CG 3.97Å; F1268-E1270 HydrophobicContact CE1-CG 4.36Å; F1268-E1270 PolarHBondContact O-N 3Å
1271	E	35.5	Very low	46.1	Very low	163 Å²	163	119.1 Å²	119.1	76%	0.762	63%	0.627	S	S	*	*			trans	-141	75.5	-171.1	-69.6	-176.1	151.8	0	0	112.6	E1269	E1269-E1271 PolarHBondContact O-N 2.73Å
1272	K	33.7	Very low	44	Very low	159 Å²	159	120 Å²	120	69%	0.691	62%	0.622	S	S	*	*			trans	-131.7	25.4	156.9	-80	-169.9	-179.5	146.3	0	113.9	E1269 P1274	E1269-K1272 IonicContact OE1-NZ 3.86Å; E1269-K1272 WeakPolarHBondContact OE2-CE 3.47Å; E1269-K1272 IonicContact OE2-NZ 2.66Å; E1269-K1272 PolarHBondContact OE2-NZ 3.31Å; K1272-P1274 WeakPolarHBondContact O-CD 3.38Å
1273	V	33.6	Very low	42	Very low	120 Å²	120	126.1 Å²	126.1	73%	0.727	63%	0.634	S	S	*	*	S	Bend	trans	-85.3	113.4	151.8	-173.8	0	0	0	0	104.9	L1275	V1273-L1275 PolarHBondContact O-N 3.35Å; V1273-L1275 VanDerWaalsContact O-N 3.09Å
1274	P	31.2	Very low	40.4	Very low	85 Å²	85	125.2 Å²	125.2	55%	0.552	64%	0.635	S	S	*	*			trans	-54.5	123.5	-179.8	-18.7	29.2	0	0	0	108.2	K1272 H1276 A1277	K1272-P1274 WeakPolarHBondContact O-CD 3.38Å; P1274-H1276 PolarHBondContact O-N 2.94Å; P1274-A1277 PolarHBondContact O-N 3.4Å
1275	L	38	Very low	38.7	Very low	118 Å²	118	123.1 Å²	123.1	62%	0.618	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-52.2	-20.1	175.6	-96.4	132.6	0	0	0	112.4	V1273	V1273-L1275 PolarHBondContact O-N 3.35Å; V1273-L1275 VanDerWaalsContact O-N 3.09Å
1276	H	33	Very low	37.1	Very low	168 Å²	168	121.2 Å²	121.2	78%	0.778	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-88.7	4.5	176.8	-56.2	-51.7	0	0	0	115.5	P1274	P1274-H1276 PolarHBondContact O-N 2.94Å
1277	A	34.4	Very low	35.9	Very low	77 Å²	77	124.3 Å²	124.3	64%	0.636	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-94.8	-10.9	174.3	0	0	0	0	0	113.8	P1274	P1274-A1277 PolarHBondContact O-N 3.4Å
1278	S	32.9	Very low	34.8	Very low	82 Å²	82	125.5 Å²	125.5	57%	0.573	64%	0.639	S	S	*	*	S	Bend	trans	-101.7	111.8	162.2	52.5	0	0	0	0	107.3	E1280	S1278-E1280 PolarHBondContact O-N 3.37Å
1279	S	29.2	Very low	33.7	Very low	86 Å²	86	136.2 Å²	136.2	60%	0.601	68%	0.677	S	S	*	*			trans	-45.5	116.1	173.7	59.1	0	0	0	0	109.5	D1281 Y1282	S1279-D1281 PolarHBondContact O-N 2.84Å; S1279-Y1282 PolarHBondContact O-N 3.34Å
1280	E	31.9	Very low	33	Very low	157 Å²	157	137.8 Å²	137.8	73%	0.734	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-3.4	172.7	-79.6	-177.8	145.6	0	0	112.5	S1278	S1278-E1280 PolarHBondContact O-N 3.37Å
1281	D	31.5	Very low	32.4	Very low	100 Å²	100	136.7 Å²	136.7	54%	0.535	68%	0.684	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.9	5.1	-177.3	-97.9	-27.6	0	0	0	116.9	S1279 S1284 H1285	S1279-D1281 PolarHBondContact O-N 2.84Å; D1281-S1284 PolarHBondContact OD1-OG 3.25Å; D1281-H1285 IonicContact OD1-CE1 2.81Å; D1281-H1285 PolarHBondContact OD1-CE1 3.1Å; D1281-H1285 VanDerWaalsContact OD1-CE1 3.24Å; D1281-H1285 IonicContact OD1-ND1 3.75Å; D1281-H1285 PolarHBondContact OD1-ND1 2.93Å
1282	Y	32.9	Very low	32.2	Very low	138 Å²	138	135.3 Å²	135.3	54%	0.541	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.5	-26.5	176.2	-157.7	-95.5	0	0	0	113.4	L1230 S1279	L1230-Y1282 HydrophobicContact CD2-CE1 4Å; S1279-Y1282 PolarHBondContact O-N 3.34Å
1283	F	31.3	Very low	32.2	Very low	180 Å²	180	133.9 Å²	133.9	79%	0.789	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-13.4	-178.2	-72.1	-72.4	0	0	0	114.7
1284	S	33.2	Very low	32.1	Very low	65 Å²	65	134.8 Å²	134.8	46%	0.455	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.8	-34.3	-175	54.7	0	0	0	0	113.9	D1281	D1281-S1284 PolarHBondContact OD1-OG 3.25Å
1285	H	30.3	Very low	32.1	Very low	135 Å²	135	138.1 Å²	138.1	63%	0.625	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-1.3	-163	-83.5	88.3	0	0	0	117.6	D1281	D1281-H1285 IonicContact OD1-CE1 2.81Å; D1281-H1285 PolarHBondContact OD1-CE1 3.1Å; D1281-H1285 VanDerWaalsContact OD1-CE1 3.24Å; D1281-H1285 IonicContact OD1-ND1 3.75Å; D1281-H1285 PolarHBondContact OD1-ND1 2.93Å
1286	N	32.3	Very low	31.7	Very low	121 Å²	121	139.5 Å²	139.5	65%	0.647	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	8.2	178.2	-82.3	-26.8	0	0	0	115.6	V1288	N1286-V1288 PolarHBondContact O-N 3.29Å; N1286-V1288 VanDerWaalsContact O-N 3.13Å
1287	R	28.6	Very low	31.6	Very low	211 Å²	211	137.3 Å²	137.3	80%	0.796	68%	0.682	S	S	*	*			trans	-85.4	63.9	161.8	-69.2	-170.7	-175.9	-170.4	1.5	109.6	W1289	R1287-W1289 PolarHBondContact O-N 3.27Å
1288	V	32.3	Very low	31.4	Very low	128 Å²	128	142.3 Å²	142.3	78%	0.776	69%	0.686	S	S	*	*			trans	-70.8	108.9	157.4	-177.6	0	0	0	0	104.9	N1286	N1286-V1288 PolarHBondContact O-N 3.29Å; N1286-V1288 VanDerWaalsContact O-N 3.13Å
1289	W	29.9	Very low	31.2	Very low	305 Å²	305	147.8 Å²	147.8	100%	1.155	70%	0.696	S	S	*	*			trans	-51.7	0	178.9	-87.6	76.5	0	0	0	113.2	R1287	R1287-W1289 PolarHBondContact O-N 3.27Å

Retrieved 1,289 of 1,289 residues in 1951.6 ms (Link to these results)

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