A0A087XN49_POEFO Loading...

Metabotropic glutamate receptor 5

G-protein coupled receptor for glutamate. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of down-stream effectors. Signaling activates a phosphatidylinositol-calcium second messenger system and generates a calcium-activated chloride current. Plays an important role in the regulation of synaptic plasticity and the modulation of the neural network activity.

AlphaFold DB , UniProt , Accession A0A087XN49, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,162 aa.

						>A0A087XN49_POEFO|A0A087XN49
QWTMMMLWLLLLLSVWAWCEGADSTERRVVAHMPGDIIIGALFSVHHQPPADKVHERKCGAVREQYGIQRVEAMMHTLDRINADQNILPNITLGCEIRDSCWHSAVALEQSIEFIRDSLVSSDEAEEWGGVTMKCADPSATPMRGKKPIVGLIGPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKSLYKYFMRVVPSDAQQARAMVDIVKRYNWSYVSAIHTEGNYGESGMEAFKDMAAKEGICIAHSGKIWSNAGEQSFDRLLLRLKAHLPKARVVACFCEGMTVRNILMAMKRKKVVGEFLLVGSDGWADRYDVTEGYSEEAAGGITIKLQSADVKWFDDYYLKLRPENNHRNPWFPEFWQHRFHCRLKGHPQESNKYNRTCERRDSLQTHYAQDTKMGFVINAIYSMAFGLHNMQRSLCPGYQGLCDAMRPIDGATLLDFLMKTNFTGVSGEGILFDENGDSPGRYEIMNFKKMGRDYYDYINVGSWDNSGLKIADDEIWSSKESIIKSVCSEPCDKGQIKVIRKGEVSCCWTCTLCKENEFVFDEYTCQACNLGSWPNDGLTGCDPIPVEYLRWRDPEPIAAVVFACLGLMATFFVTAVFIYFRDTPVVKSSSRELCYIILAGICLGYLCTFSLIAKPQVIHCYLQRLGIGLSPAMSYSALVTKTNRIARILAGSKKKICTKKPRFMSACAQLIIAFLLILLQLGIIVALFLMEPPNVINDYPSIRQVNLICNTTNLGVVAPLGYNGLLILSCTFYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITMCFSVSLSATVALCCMFVPKVYIILAKPERNVRSAFTTSTVVRMHVGDGKSSSAASRSSSLVNLFKRRGSTGETLSSNGKSVSWAQTERSSSRGNHLWQRLSFHIKKKENNQTAVIKPFSKTSEERSSLPTHPDCGTDKTLYELSEAEEHYSITYRPQTPSPISTVSQRIGASLGSVAAGSDGRLVAMDNRPPPRQNSLMDQISCVVNRFTANITELNSMMLSASPTHTHKHPLPHMEPSLGNRGGCPVHSIPRSPYPLQPPPHPHTSPSLSPIRGSLVACIPDSPLRRVELEEELIALTPPSPFRDSLGSSSGSQISETGLFVPPVPNHPPPSPPSPRYTRLTLRNYSQSSSSL
					

Structure Viewer

Loading PAE data...

(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	Q	50.3	Low	55.4	Low	208 Å²	208	137.5 Å²	137.5	97%	0.972	66%	0.658	S	S	*	*				0	-62.4	0	-82.7	171.3	-24.7	0	0	111.9	T3 M4 M5	Q1-T3 VanDerWaalsContact C-N 3.31Å; Q1-T3 PolarHBondContact O-N 3.13Å; Q1-M4 WeakPolarHBondContact O-CB 3.46Å; Q1-M4 PolarHBondContact O-N 2.97Å; Q1-M5 PolarHBondContact O-N 2.77Å
2	W	47.4	Very low	55	Low	213 Å²	213	134.4 Å²	134.4	81%	0.807	65%	0.647	S	S	*	*	H	α-helix	trans	-51.7	-40.4	-179.6	-84.5	90.9	0	0	0	115.6	M4 M5 M6	W2-M4 PolarHBondContact O-N 2.78Å; W2-M5 HydrophobicContact CD2-CE 4.24Å; W2-M5 HydrophobicContact CE3-CE 3.56Å; W2-M5 HydrophobicContact CH2-CE 3.81Å; W2-M5 HydrophobicContact CZ2-CE 4.45Å; W2-M5 HydrophobicContact CZ3-CE 3.32Å; W2-M5 WeakPolarHBondContact O-CB 3.35Å; W2-M5 PolarHBondContact O-N 3.24Å; W2-M5 VanDerWaalsContact O-N 3.16Å; W2-M6 PolarHBondContact O-N 3.29Å
3	T	52.6	Low	54.7	Low	122 Å²	122	133 Å²	133	75%	0.748	64%	0.644	S	S	*	*	H	α-helix	trans	-59.5	-30.2	174.2	43.2	0	0	0	0	114.3	Q1 L7	Q1-T3 VanDerWaalsContact C-N 3.31Å; Q1-T3 PolarHBondContact O-N 3.13Å; T3-L7 PolarHBondContact O-N 3.15Å
4	M	51.3	Low	54	Low	131 Å²	131	127.9 Å²	127.9	65%	0.645	63%	0.629	S	S	*	*	H	α-helix	trans	-76.7	-27	179.4	-154.2	173.4	89.3	0	0	112	Q1 W2 L7 W8	Q1-M4 WeakPolarHBondContact O-CB 3.46Å; Q1-M4 PolarHBondContact O-N 2.97Å; W2-M4 PolarHBondContact O-N 2.78Å; M4-L7 PolarHBondContact O-N 2.92Å; M4-W8 PolarHBondContact O-N 3.02Å
5	M	51.9	Low	53.3	Low	105 Å²	105	125.7 Å²	125.7	52%	0.517	63%	0.625	S	S	.	*	H	α-helix	trans	-74.9	-32.8	176.7	-163.8	164.6	72.3	0	0	111.9	Q1 W2 L7 W8 L9	Q1-M5 PolarHBondContact O-N 2.77Å; W2-M5 HydrophobicContact CD2-CE 4.24Å; W2-M5 HydrophobicContact CE3-CE 3.56Å; W2-M5 HydrophobicContact CH2-CE 3.81Å; W2-M5 HydrophobicContact CZ2-CE 4.45Å; W2-M5 HydrophobicContact CZ3-CE 3.32Å; W2-M5 WeakPolarHBondContact O-CB 3.35Å; W2-M5 PolarHBondContact O-N 3.24Å; W2-M5 VanDerWaalsContact O-N 3.16Å; M5-L7 VanDerWaalsContact C-N 3.34Å; M5-W8 PolarHBondContact O-N 3.35Å; M5-L9 PolarHBondContact O-N 2.96Å
6	M	55	Low	52.2	Low	133 Å²	133	132.4 Å²	132.4	66%	0.655	64%	0.641	S	S	*	*	H	α-helix	trans	-67.3	-34.1	172.8	-173.3	176	161.6	0	0	112.3	W2 W8 L9 L10	W2-M6 PolarHBondContact O-N 3.29Å; M6-W8 VanDerWaalsContact C-N 3.34Å; M6-L9 PolarHBondContact O-N 2.89Å; M6-L10 PolarHBondContact O-N 2.81Å
7	L	61.7	Low	51.3	Low	111 Å²	111	128.7 Å²	128.7	58%	0.581	64%	0.638	S	S	*	*	H	α-helix	trans	-66.5	-36	174.9	-146.4	78.7	0	0	0	112.2	T3 M4 M5 L9 L10 L11	T3-L7 PolarHBondContact O-N 3.15Å; M4-L7 PolarHBondContact O-N 2.92Å; M5-L7 VanDerWaalsContact C-N 3.34Å; L7-L9 VanDerWaalsContact C-N 3.35Å; L7-L10 PolarHBondContact O-N 2.74Å; L7-L11 PolarHBondContact O-N 3.08Å; L7-L11 VanDerWaalsContact O-N 3.13Å
8	W	60.5	Low	50.5	Low	172 Å²	172	134.4 Å²	134.4	65%	0.652	65%	0.651	S	S	*	*	H	α-helix	trans	-65.5	-34.6	173	-95	73.8	0	0	0	113.1	M4 M5 M6 L10 L11 L12	M4-W8 PolarHBondContact O-N 3.02Å; M5-W8 PolarHBondContact O-N 3.35Å; M6-W8 VanDerWaalsContact C-N 3.34Å; W8-L10 VanDerWaalsContact C-N 3.35Å; W8-L11 PolarHBondContact O-N 3.05Å; W8-L12 PolarHBondContact O-N 3.35Å
9	L	60.6	Low	49.3	Very low	114 Å²	114	133.4 Å²	133.4	60%	0.597	66%	0.657	S	S	*	*	H	α-helix	trans	-65.3	-38.6	175.3	-131	83.7	0	0	0	112.1	M5 M6 L7 L12 L13	M5-L9 PolarHBondContact O-N 2.96Å; M6-L9 PolarHBondContact O-N 2.89Å; L7-L9 VanDerWaalsContact C-N 3.35Å; L9-L12 PolarHBondContact O-N 3.19Å; L9-L13 PolarHBondContact O-N 3.26Å
10	L	58.9	Low	48.4	Very low	102 Å²	102	135.9 Å²	135.9	53%	0.534	67%	0.668	S	S	.	*	H	α-helix	trans	-68.7	-36.9	176.1	-71.6	165.6	0	0	0	112.2	M6 L7 W8 L13 S14	M6-L10 PolarHBondContact O-N 2.81Å; L7-L10 PolarHBondContact O-N 2.74Å; W8-L10 VanDerWaalsContact C-N 3.35Å; L10-L13 PolarHBondContact O-N 3.17Å; L10-S14 PolarHBondContact O-N 3.11Å
11	L	59	Low	47.4	Very low	102 Å²	102	132.8 Å²	132.8	53%	0.534	67%	0.671	S	S	.	*	H	α-helix	trans	-65.5	-40.1	172	-86.2	161.7	0	0	0	112.4	L7 W8 L13 S14 V15	L7-L11 PolarHBondContact O-N 3.08Å; L7-L11 VanDerWaalsContact O-N 3.13Å; W8-L11 PolarHBondContact O-N 3.05Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 2.86Å; L11-S14 PolarHBondContact O-N 3.22Å; L11-S14 VanDerWaalsContact O-N 3.08Å; L11-S14 PolarHBondContact O-OG 2.88Å; L11-V15 PolarHBondContact O-N 3.39Å; L11-V15 VanDerWaalsContact O-N 3.12Å
12	L	51.2	Low	46.4	Very low	100 Å²	100	127.6 Å²	127.6	52%	0.524	66%	0.663	S	S	.	*	H	α-helix	trans	-63.4	-37.2	174.4	-81.6	162	0	0	0	112.5	W8 L9 S14 V15 W16	W8-L12 PolarHBondContact O-N 3.35Å; L9-L12 PolarHBondContact O-N 3.19Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 2.71Å; L12-V15 PolarHBondContact O-N 3.47Å; L12-W16 PolarHBondContact O-N 3.22Å
13	L	50.8	Low	45.5	Very low	116 Å²	116	124.1 Å²	124.1	61%	0.607	66%	0.66	S	S	*	*	H	α-helix	trans	-64.4	-34.5	171	-76.7	164.2	0	0	0	112.4	L9 L10 L11 V15 W16 A17	L9-L13 PolarHBondContact O-N 3.26Å; L10-L13 PolarHBondContact O-N 3.17Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 2.86Å; L13-V15 VanDerWaalsContact C-N 3.32Å; L13-V15 PolarHBondContact O-N 3.17Å; L13-W16 PolarHBondContact O-N 3.41Å; L13-A17 PolarHBondContact O-N 3.24Å
14	S	45.5	Very low	44.4	Very low	61 Å²	61	123.1 Å²	123.1	43%	0.427	66%	0.658	S	S	.	*	H	α-helix	trans	-70.2	-26.7	175.4	76.1	0	0	0	0	113.5	L10 L11 L12 A17	L10-S14 PolarHBondContact O-N 3.11Å; L11-S14 PolarHBondContact O-N 3.22Å; L11-S14 VanDerWaalsContact O-N 3.08Å; L11-S14 PolarHBondContact O-OG 2.88Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 2.71Å; S14-A17 WeakPolarHBondContact O-CB 3.23Å; S14-A17 PolarHBondContact O-N 3.01Å
15	V	43.4	Very low	43.6	Very low	96 Å²	96	122.9 Å²	122.9	58%	0.582	67%	0.665	S	S	*	*	H	α-helix	trans	-76.6	-29.3	173.4	177.5	0	0	0	0	111.7	L11 L12 L13 A17 W18	L11-V15 PolarHBondContact O-N 3.39Å; L11-V15 VanDerWaalsContact O-N 3.12Å; L12-V15 PolarHBondContact O-N 3.47Å; L13-V15 VanDerWaalsContact C-N 3.32Å; L13-V15 PolarHBondContact O-N 3.17Å; V15-A17 PolarHBondContact O-N 3.31Å; V15-W18 PolarHBondContact O-N 3.46Å
16	W	35.1	Very low	43.2	Very low	232 Å²	232	126.5 Å²	126.5	88%	0.879	68%	0.68	S	S	*	*	H	α-helix	trans	-66.6	-16.1	169.9	-96.5	55.5	0	0	0	113.7	L12 L13 W18	L12-W16 PolarHBondContact O-N 3.22Å; L13-W16 PolarHBondContact O-N 3.41Å; W16-W18 VanDerWaalsContact C-N 3.31Å
17	A	36.3	Very low	43.1	Very low	70 Å²	70	131.3 Å²	131.3	58%	0.579	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-5.7	168.5	0	0	0	0	0	113.3	L13 S14 V15	L13-A17 PolarHBondContact O-N 3.24Å; S14-A17 WeakPolarHBondContact O-CB 3.23Å; S14-A17 PolarHBondContact O-N 3.01Å; V15-A17 PolarHBondContact O-N 3.31Å
18	W	36.8	Very low	43.6	Very low	231 Å²	231	130.4 Å²	130.4	88%	0.875	68%	0.68	S	S	*	*	S	Bend	trans	-116	35.3	-175.5	-93.5	43.1	0	0	0	113.2	V15 W16	V15-W18 PolarHBondContact O-N 3.46Å; W16-W18 VanDerWaalsContact C-N 3.31Å
19	C	27.6	Very low	44.8	Very low	115 Å²	115	125.4 Å²	125.4	78%	0.777	67%	0.668	S	S	*	*	S	Bend	trans	-134.8	92.4	140.4	-88	0	0	0	0	107.1	G21	C19-G21 PolarHBondContact O-N 3.47Å
20	E	31.9	Very low	46.2	Very low	184 Å²	184	122.4 Å²	122.4	86%	0.86	66%	0.655	S	S	*	*			trans	-48.4	125.4	158.3	-66	173.2	121.7	0	0	107.1	A22	E20-A22 PolarHBondContact O-N 3.04Å
21	G	27.5	Very low	47.8	Very low	71 Å²	71	117.6 Å²	117.6	73%	0.732	63%	0.63	S	S	*	*			trans	-57.1	118.2	171.5	0	0	0	0	0	106.8	C19 D23	C19-G21 PolarHBondContact O-N 3.47Å; G21-D23 PolarHBondContact O-N 3.05Å
22	A	29.4	Very low	49.4	Very low	99 Å²	99	117.1 Å²	117.1	82%	0.818	63%	0.625	S	S	*	*			trans	-54.5	101.8	-172.2	0	0	0	0	0	109	E20 S24	E20-A22 PolarHBondContact O-N 3.04Å; A22-S24 PolarHBondContact O-N 3.33Å
23	D	28	Very low	51.3	Low	139 Å²	139	112.9 Å²	112.9	74%	0.743	60%	0.602	S	S	*	*			trans	-68.5	100.6	-170.4	-171.3	27.1	0	0	0	106.4	G21 T25	G21-D23 PolarHBondContact O-N 3.05Å; D23-T25 PolarHBondContact O-N 3.14Å; D23-T25 PolarHBondContact O-OG1 3.23Å
24	S	30.5	Very low	53.2	Low	101 Å²	101	112.1 Å²	112.1	71%	0.706	60%	0.604	S	S	*	*			trans	-69.9	89	-167.3	55.1	0	0	0	0	107.2	A22 E26	A22-S24 PolarHBondContact O-N 3.33Å; S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 3.01Å
25	T	34.9	Very low	55.4	Low	127 Å²	127	110 Å²	110	78%	0.779	59%	0.591	S	S	*	*			trans	-68.1	91.6	-168.9	-18.5	0	0	0	0	106.6	D23 R27	D23-T25 PolarHBondContact O-N 3.14Å; D23-T25 PolarHBondContact O-OG1 3.23Å; T25-R27 WeakPolarHBondContact O-CA 3.48Å; T25-R27 PolarHBondContact O-N 3.14Å
26	E	42.3	Very low	57.6	Low	181 Å²	181	108.5 Å²	108.5	85%	0.846	58%	0.581	S	S	*	*			trans	-65.8	97.8	-160.6	-162.6	171.5	-141.9	0	0	108.4	S24 R28	S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 3.01Å; E26-R28 PolarHBondContact O-N 3.33Å
27	R	53.5	Low	60.3	Low	233 Å²	233	97.8 Å²	97.8	88%	0.879	54%	0.54	S	S	*	.			trans	-64	111.2	-155.3	-166.5	175.8	-172.9	173.7	1.7	108.5	T25 V29	T25-R27 WeakPolarHBondContact O-CA 3.48Å; T25-R27 PolarHBondContact O-N 3.14Å; R27-V29 PolarHBondContact O-N 2.96Å; R27-V29 VanDerWaalsContact O-N 3.11Å
28	R	73	Confident	63.1	Low	92 Å²	92	94.9 Å²	94.9	35%	0.347	52%	0.515	S	S	.	.			trans	-46.4	119.3	-167.9	-70.9	-69.1	-159.7	-174.8	0.2	110.4	E26 R57 E109	E26-R28 PolarHBondContact O-N 3.33Å; R28-R57 PolarHBondContact NH1-O 2.89Å; R28-R57 VanDerWaalsContact NH2-CB 3.34Å; R28-R57 PolarHBondContact NH2-O 2.87Å; R28-E109 IonicContact CZ-OE1 2.69Å; R28-E109 IonicContact NE-OE1 3.11Å; R28-E109 PolarHBondContact NE-OE1 2.72Å; R28-E109 IonicContact NH2-OE1 3.3Å; R28-E109 PolarHBondContact NH2-OE1 3.17Å; R28-E109 IonicContact NH2-OE2 2.77Å
29	V	85	Confident	65.9	Low	67 Å²	67	83.9 Å²	83.9	41%	0.406	47%	0.473	S	S	.	.			trans	-63.2	139.7	-174.8	178.4	0	0	0	0	109.6	R27 P359 W360	R27-V29 PolarHBondContact O-N 2.96Å; R27-V29 VanDerWaalsContact O-N 3.11Å; V29-P359 HydrophobicContact CG1-CB 3.51Å; V29-P359 HydrophobicContact CG1-CG 3.23Å; V29-W360 HydrophobicContact CB-CZ2 4Å; V29-W360 HydrophobicContact CG1-CD2 4.42Å; V29-W360 HydrophobicContact CG1-CZ2 3.87Å; V29-W360 VanDerWaalsContact O-CZ2 3.25Å; V29-W360 WeakPolarHBondContact O-CZ2 3.22Å
30	V	90.4	Very high	69.1	Low	52 Å²	52	78.4 Å²	78.4	32%	0.315	44%	0.436	S	S	.	.			trans	-135.6	138.7	-179.6	61	0	0	0	0	109.4	E96 R98	V30-E96 HydrophobicContact CG2-CG 3.32Å; V30-R98 HydrophobicContact CB-CG 4.42Å; V30-R98 HydrophobicContact CG2-CG 3.85Å
31	A	92.1	Very high	72.2	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.008	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.4	173.3	0	0	0	0	0	109.1	M75 I97 P359 W360	A31-M75 HydrophobicContact CB-CE 3.59Å; A31-I97 HydrophobicContact CB-CB 4.29Å; A31-I97 PolarHBondContact N-O 3.02Å; A31-I97 PolarHBondContact O-N 3.13Å; A31-P359 HydrophobicContact CB-CG 4.21Å; A31-W360 HydrophobicContact CB-CE3 4.47Å; A31-W360 HydrophobicContact CB-CH2 4.46Å; A31-W360 HydrophobicContact CB-CZ3 3.77Å
32	H	91.3	Very high	75.5	Confident	92 Å²	92	66.2 Å²	66.2	43%	0.426	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135	-170.1	170	-94.4	0	0	0	111.9	C95	H32-C95 CarbonylContact C-O 3.57Å; H32-C95 WeakPolarHBondContact CA-O 3.32Å
33	M	92.3	Very high	78.7	Confident	11 Å²	11	61.5 Å²	61.5	5%	0.054	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.3	170.1	-170.7	-170.7	-39.4	0	0	108.7	M75 L78 G94 C95 R357	M33-M75 HydrophobicContact CE-CB 4.09Å; M33-M75 HydrophobicContact CE-CG 4.14Å; M33-L78 HydrophobicContact CE-CB 3.85Å; M33-L78 HydrophobicContact CE-CD1 3.98Å; M33-L78 HydrophobicContact SD-CB 4.21Å; M33-G94 CarbonylContact O-C 3.52Å; M33-G94 WeakPolarHBondContact O-CA 3.45Å; M33-C95 PolarHBondContact N-O 3.28Å; M33-C95 PolarHBondContact O-N 3.31Å; M33-R357 PolarHBondContact SD-NH2 3.36Å
34	P	91.1	Very high	81.8	Confident	99 Å²	99	55 Å²	55	64%	0.643	29%	0.286	S	S	*	.			trans	-69.2	151.5	178	30.3	-35.2	0	0	0	111.5
35	G	90.3	Very high	84.8	Confident	16 Å²	16	50.1 Å²	50.1	17%	0.165	25%	0.253	C	S	.	.			trans	-172.4	-176.6	174.6	0	0	0	0	0	113.7	T92 K147	G35-T92 WeakPolarHBondContact CA-OG1 3.43Å; G35-K147 PolarHBondContact O-NZ 3.42Å
36	D	90.3	Very high	87.5	Confident	66 Å²	66	45 Å²	45	35%	0.353	22%	0.22	S	C	.	.	S	Bend	trans	-69.8	-44.9	173.5	-70.4	-61.3	0	0	0	111.6	I91 T92 K147 L431	D36-I91 HydrophobicContact CB-CG2 4.03Å; D36-T92 WeakPolarHBondContact CA-O 3.25Å; D36-T92 WeakPolarHBondContact CB-O 3.35Å; D36-T92 PolarHBondContact N-O 3.4Å; D36-T92 PolarHBondContact N-OG1 3.26Å; D36-T92 PolarHBondContact OD2-N 3.42Å; D36-T92 PolarHBondContact OD2-OG1 3.47Å; D36-K147 VanDerWaalsContact CA-NZ 3.25Å; D36-K147 WeakPolarHBondContact O-CD 3.35Å; D36-K147 PolarHBondContact O-NZ 2.84Å; D36-L431 HydrophobicContact CB-CD1 4.22Å
37	I	92.9	Very high	89.5	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.1	178.4	-58.1	177.5	0	0	0	108.2	I91 T92 L93 G94 V150 L417 L431 I438	I37-I91 HydrophobicContact CD1-CG2 3.67Å; I37-I91 HydrophobicContact CG1-CG2 3.97Å; I37-T92 PolarHBondContact N-O 2.75Å; I37-L93 HydrophobicContact CB-CD2 3.9Å; I37-L93 HydrophobicContact CD1-CD2 4.12Å; I37-L93 HydrophobicContact CG1-CD2 4.49Å; I37-L93 HydrophobicContact CG2-CD2 4.22Å; I37-G94 PolarHBondContact O-N 3.4Å; I37-V150 HydrophobicContact CG2-CB 4.22Å; I37-V150 HydrophobicContact CG2-CG1 3.82Å; I37-V150 HydrophobicContact CG2-CG2 3.35Å; I37-L417 HydrophobicContact CD1-CD1 4.18Å; I37-L417 HydrophobicContact CD1-CD2 4.28Å; I37-L417 HydrophobicContact CG2-CD1 4.17Å; I37-L431 HydrophobicContact CD1-CD2 4.18Å; I37-L431 HydrophobicContact CG1-CD1 4.03Å; I37-I438 HydrophobicContact CD1-CD1 3.96Å; I37-I438 HydrophobicContact CG1-CD1 4.34Å
38	I	93.6	Very high	90.9	Very high	9 Å²	9	34 Å²	34	5%	0.046	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.5	176.1	-51.4	-59	0	0	0	110.3	E96 K147 I149 V150	I38-E96 HydrophobicContact CG2-CB 4.15Å; I38-K147 HydrophobicContact CG1-CB 4.05Å; I38-I149 HydrophobicContact CG2-CG2 4.12Å; I38-I149 WeakPolarHBondContact O-CA 3.42Å; I38-V150 PolarHBondContact O-N 3.49Å; I38-V150 VanDerWaalsContact O-N 3.09Å
39	I	95.9	Very high	91.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.8	172	-60.7	168.1	0	0	0	108.6	M74 L78 L93 G94 C95 E96 V150 I153 M413	I39-M74 HydrophobicContact CB-CE 4.39Å; I39-M74 HydrophobicContact CG2-CE 4.01Å; I39-L78 HydrophobicContact CD1-CD2 4.47Å; I39-L93 HydrophobicContact CD1-CD1 4.09Å; I39-L93 HydrophobicContact CD1-CD2 4.36Å; I39-G94 PolarHBondContact N-O 2.93Å; I39-C95 WeakPolarHBondContact O-CA 3.42Å; I39-C95 VanDerWaalsContact O-CB 3.27Å; I39-C95 WeakPolarHBondContact O-CB 3.12Å; I39-E96 PolarHBondContact O-N 3.43Å; I39-E96 VanDerWaalsContact O-N 3.08Å; I39-V150 HydrophobicContact CG1-CG2 4.45Å; I39-I153 HydrophobicContact CG2-CD1 3.89Å; I39-I153 HydrophobicContact CG2-CG1 4.04Å; I39-M413 HydrophobicContact CD1-CB 4.35Å; I39-M413 HydrophobicContact CD1-CG 3.74Å; I39-M413 HydrophobicContact CG1-CG 4.15Å
40	G	95.6	Very high	90.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	151.4	175.4	0	0	0	0	0	111.6	E96 G151 L152 I153	G40-E96 CarbonylContact C-O 3.53Å; G40-E96 WeakPolarHBondContact CA-O 3.27Å; G40-G151 PolarHBondContact N-O 2.91Å; G40-L152 CarbonylContact O-C 3.57Å; G40-L152 WeakPolarHBondContact O-CA 3.39Å; G40-I153 PolarHBondContact O-N 2.89Å
41	A	96.9	Very high	89.9	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.3	169.8	0	0	0	0	0	113.9	F43 M74 E96 I97 R98 I153	A41-F43 HydrophobicContact CB-CE2 4.08Å; A41-F43 HydrophobicContact CB-CZ 4.14Å; A41-M74 HydrophobicContact CB-CE 3.83Å; A41-M74 HydrophobicContact CB-SD 3.39Å; A41-M74 WeakPolarHBondContact CB-SD 3.41Å; A41-E96 PolarHBondContact N-O 2.84Å; A41-I97 HydrophobicContact CB-CG1 4.37Å; A41-I97 HydrophobicContact CB-CG2 4.48Å; A41-R98 PolarHBondContact O-N 3.23Å; A41-I153 WeakPolarHBondContact CA-O 3.41Å; A41-I153 HydrophobicContact CB-CB 4.35Å
42	L	96.8	Very high	89	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	95.4	172	-70.1	-178.2	0	0	0	110	R98 A107 Q110 F114 L152 I153 P155 V164	L42-R98 HydrophobicContact CD2-CB 4.08Å; L42-A107 HydrophobicContact CD1-CB 4.21Å; L42-Q110 HydrophobicContact CD2-CB 3.91Å; L42-F114 HydrophobicContact CD2-CE2 3.84Å; L42-F114 HydrophobicContact CD2-CZ 4.43Å; L42-F114 HydrophobicContact CG-CE2 4.13Å; L42-L152 HydrophobicContact CD1-CD2 3.9Å; L42-L152 HydrophobicContact CG-CD1 4.37Å; L42-L152 HydrophobicContact CG-CD2 4.11Å; L42-I153 PolarHBondContact N-O 2.95Å; L42-P155 HydrophobicContact CB-CB 3.96Å; L42-P155 WeakPolarHBondContact O-CA 3.4Å; L42-V164 HydrophobicContact CD1-CG1 4.28Å; L42-V164 HydrophobicContact CD1-CG2 3.9Å
43	F	96.1	Very high	88.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	166.1	167.6	-60.9	-46.7	0	0	0	110.4	A41 R70 V71 M74 I97 R98 D99 S100 Y178 V406	A41-F43 HydrophobicContact CB-CE2 4.08Å; A41-F43 HydrophobicContact CB-CZ 4.14Å; F43-R70 HydrophobicContact CD1-CB 3.84Å; F43-R70 HydrophobicContact CD2-CB 4.08Å; F43-R70 HydrophobicContact CE1-CB 4.02Å; F43-R70 HydrophobicContact CE2-CB 4.25Å; F43-R70 WeakPolarHBondContact CE2-O 3.38Å; F43-R70 HydrophobicContact CG-CB 3.88Å; F43-R70 HydrophobicContact CZ-CB 4.23Å; F43-V71 HydrophobicContact CD2-CG2 3.99Å; F43-M74 HydrophobicContact CE2-CB 3.75Å; F43-M74 HydrophobicContact CE2-CG 4.34Å; F43-M74 HydrophobicContact CE2-SD 3.68Å; F43-M74 HydrophobicContact CZ-CB 3.95Å; F43-M74 HydrophobicContact CZ-CG 4.43Å; F43-M74 HydrophobicContact CZ-SD 3.8Å; F43-I97 HydrophobicContact CD2-CG2 3.63Å; F43-I97 HydrophobicContact CE2-CD1 4.41Å; F43-I97 HydrophobicContact CE2-CG2 4.12Å; F43-R98 PolarHBondContact N-O 3.5Å; F43-D99 VanDerWaalsContact O-OD1 3.09Å; F43-S100 VanDerWaalsContact C-OG 3.24Å; F43-S100 WeakPolarHBondContact O-CB 3.43Å; F43-S100 PolarHBondContact O-N 3.05Å; F43-S100 PolarHBondContact O-OG 3.48Å; F43-Y178 AromaticContact CD1-CE1 3.86Å; F43-Y178 HydrophobicContact CD1-CE1 3.86Å; F43-Y178 AromaticContact CD1-CZ 3.98Å; F43-Y178 HydrophobicContact CE1-CD1 4.39Å; F43-Y178 AromaticContact CE1-CE1 3.72Å; F43-Y178 HydrophobicContact CE1-CE1 3.72Å; F43-V406 HydrophobicContact CE1-CG1 3.81Å; F43-V406 HydrophobicContact CZ-CG1 3.8Å
44	S	92.8	Very high	87.3	Confident	1 Å²	1	40 Å²	40	1%	0.007	23%	0.227	C	C	.	.			trans	-106.4	77.3	178.1	-55.5	0	0	0	0	108.6	H46 G67 D99 S100	S44-H46 VanDerWaalsContact C-N 3.31Å; S44-G67 WeakPolarHBondContact O-CA 3.2Å; S44-D99 WeakPolarHBondContact CA-OD1 3.43Å; S44-S100 WeakPolarHBondContact CA-OG 3.26Å; S44-S100 PolarHBondContact OG-OG 3.19Å
45	V	93.7	Very high	86.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.			trans	-65	-38.8	-177.6	-172.9	0	0	0	0	109.9	V62 R63 I68 V71 D99 W360	V45-V62 HydrophobicContact CG1-CG1 4.41Å; V45-V62 CarbonylContact O-C 3.53Å; V45-V62 WeakPolarHBondContact O-CA 3.44Å; V45-R63 PolarHBondContact O-N 2.76Å; V45-I68 HydrophobicContact CG1-CD1 3.84Å; V45-V71 HydrophobicContact CG2-CG2 4Å; V45-D99 HydrophobicContact CB-CB 4.2Å; V45-D99 HydrophobicContact CG2-CB 4.15Å; V45-D99 PolarHBondContact N-OD1 3.06Å; V45-W360 HydrophobicContact CG1-CB 3.97Å; V45-W360 HydrophobicContact CG1-CD2 3.96Å; V45-W360 HydrophobicContact CG1-CE3 4.36Å; V45-W360 HydrophobicContact CG1-CG 3.79Å; V45-W360 HydrophobicContact CG2-CD2 4.38Å; V45-W360 HydrophobicContact CG2-CE3 4.16Å; V45-W360 HydrophobicContact CG2-CZ3 4.26Å
46	H	91.3	Very high	86.3	Confident	20 Å²	20	47.4 Å²	47.4	9%	0.093	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-108.1	161.8	175.4	-61.4	89.2	0	0	0	113.8	S44 C59 G60 A61 V62 R63 D99 W360 E363	S44-H46 VanDerWaalsContact C-N 3.31Å; H46-C59 HydrophobicContact CB-CB 3.54Å; H46-G60 PolarHBondContact CD2-O 2.72Å; H46-A61 CarbonylContact C-O 3.58Å; H46-A61 WeakPolarHBondContact CA-O 3.01Å; H46-V62 WeakPolarHBondContact NE2-CG2 3.49Å; H46-R63 WeakPolarHBondContact O-CD 3.18Å; H46-D99 WeakPolarHBondContact CB-OD2 3.45Å; H46-D99 IonicContact CE1-OD2 3.67Å; H46-D99 IonicContact CG-OD2 3.94Å; H46-D99 PolarHBondContact N-OD2 3.1Å; H46-D99 VanDerWaalsContact N-OD2 3.1Å; H46-D99 IonicContact ND1-OD2 3.45Å; H46-D99 PolarHBondContact ND1-OD2 3.49Å; H46-W360 AromaticContact CE1-CD1 3.75Å; H46-W360 AromaticContact CE1-NE1 3.88Å; H46-E363 IonicContact NE2-OE1 2.68Å; H46-E363 IonicContact NE2-OE2 2.99Å
47	H	84.6	Confident	85.9	Confident	93 Å²	93	49.7 Å²	49.7	43%	0.431	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-66.4	157.8	164.2	-79.5	-89.8	0	0	0	111.6	G60 A61 R63	H47-G60 PolarHBondContact O-N 3.22Å; H47-A61 PolarHBondContact CD2-O 3.02Å; H47-A61 VanDerWaalsContact CD2-O 3.31Å; H47-A61 PolarHBondContact N-O 3.4Å; H47-R63 VanDerWaalsContact CD2-CG 3.45Å; H47-R63 WeakPolarHBondContact CD2-CG 3.33Å
48	Q	82.1	Confident	85.5	Confident	90 Å²	90	55.1 Å²	55.1	42%	0.421	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-61.6	148.8	177	72.6	-170.5	23.5	0	0	112.8	C101 W102	Q48-C101 WeakPolarHBondContact CA-O 3.41Å; Q48-C101 PolarHBondContact N-O 3.36Å; Q48-W102 HydrophobicContact CB-CB 4.48Å
49	P	81.9	Confident	85.2	Confident	8 Å²	8	56.2 Å²	56.2	5%	0.052	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-58	138.3	174.1	23.8	-34	0	0	0	111	V54 K58 H103	P49-V54 HydrophobicContact CB-CG2 4.41Å; P49-V54 HydrophobicContact CG-CG2 4.24Å; P49-K58 WeakPolarHBondContact CB-O 3.49Å; P49-H103 HydrophobicContact CG-CB 4.44Å
50	P	75.8	Confident	84.8	Confident	67 Å²	67	57.4 Å²	57.4	44%	0.435	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-56.9	152	166.3	-23.3	33.8	0	0	0	111.4	D52 K53 V54	P50-D52 VanDerWaalsContact C-N 3.27Å; P50-D52 PolarHBondContact O-N 3.41Å; P50-K53 CarbonylContact O-C 3.41Å; P50-K53 WeakPolarHBondContact O-CA 3.41Å; P50-K53 PolarHBondContact O-N 3.01Å; P50-V54 PolarHBondContact O-N 3.21Å
51	A	70.9	Confident	84.4	Confident	71 Å²	71	59.4 Å²	59.4	59%	0.587	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-50.5	-45.8	-176.2	0	0	0	0	0	112.8	K53 V54	A51-K53 PolarHBondContact O-N 3.37Å; A51-K53 VanDerWaalsContact O-N 3.12Å; A51-V54 WeakPolarHBondContact O-CG2 3.3Å; A51-V54 PolarHBondContact O-N 3.35Å
52	D	72.7	Confident	84.1	Confident	146 Å²	146	59.8 Å²	59.8	78%	0.781	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-66.6	-14	-178.7	-34.7	-52.5	0	0	0	113.6	P50	P50-D52 VanDerWaalsContact C-N 3.27Å; P50-D52 PolarHBondContact O-N 3.41Å
53	K	72.1	Confident	83.7	Confident	100 Å²	100	61.4 Å²	61.4	44%	0.435	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-121.7	8	-172.8	-60.5	-164.5	175.3	-166.5	0	114.2	P50 A51 H55 E56 R57	P50-K53 CarbonylContact O-C 3.41Å; P50-K53 WeakPolarHBondContact O-CA 3.41Å; P50-K53 PolarHBondContact O-N 3.01Å; A51-K53 PolarHBondContact O-N 3.37Å; A51-K53 VanDerWaalsContact O-N 3.12Å; K53-H55 PolarHBondContact O-N 2.99Å; K53-E56 PolarHBondContact O-N 3.06Å; K53-R57 PolarHBondContact O-N 3.49Å
54	V	76.8	Confident	83.3	Confident	47 Å²	47	63.4 Å²	63.4	29%	0.285	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-39.9	176.5	177.5	0	0	0	0	111	P49 P50 A51 E56 R57	P49-V54 HydrophobicContact CB-CG2 4.41Å; P49-V54 HydrophobicContact CG-CG2 4.24Å; P50-V54 PolarHBondContact O-N 3.21Å; A51-V54 WeakPolarHBondContact O-CG2 3.3Å; A51-V54 PolarHBondContact O-N 3.35Å; V54-E56 PolarHBondContact O-N 3.07Å; V54-R57 PolarHBondContact O-N 2.9Å; V54-R57 VanDerWaalsContact O-N 3.09Å
55	H	78.6	Confident	83	Confident	176 Å²	176	67.1 Å²	67.1	82%	0.815	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-36.9	178.4	-56.5	-56.3	0	0	0	113.3	K53 R57	K53-H55 PolarHBondContact O-N 2.99Å; H55-R57 PolarHBondContact O-N 3.13Å
56	E	81.8	Confident	82.6	Confident	95 Å²	95	68.7 Å²	68.7	44%	0.444	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.7	174.5	-63.1	-176.1	-120.3	0	0	112.9	K53 V54 K58	K53-E56 PolarHBondContact O-N 3.06Å; V54-E56 PolarHBondContact O-N 3.07Å; E56-K58 HydrophobicContact CB-CB 4.43Å; E56-K58 HydrophobicContact CB-CD 4.17Å; E56-K58 HydrophobicContact CB-CG 4.1Å; E56-K58 PolarHBondContact O-N 2.86Å; E56-K58 VanDerWaalsContact OE2-CD 3.29Å; E56-K58 WeakPolarHBondContact OE2-CD 3.24Å; E56-K58 VanDerWaalsContact OE2-CE 3.29Å; E56-K58 WeakPolarHBondContact OE2-CE 3.43Å; E56-K58 IonicContact OE2-NZ 3.72Å; E56-K58 PolarHBondContact OE2-NZ 3.27Å
57	R	82.4	Confident	82.6	Confident	114 Å²	114	67.7 Å²	67.7	43%	0.43	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	24.9	-175.3	-49.9	-178	-166.2	170.2	5.5	113.9	R28 K53 V54 H55 V106 E109	R28-R57 PolarHBondContact NH1-O 2.89Å; R28-R57 VanDerWaalsContact NH2-CB 3.34Å; R28-R57 PolarHBondContact NH2-O 2.87Å; K53-R57 PolarHBondContact O-N 3.49Å; V54-R57 PolarHBondContact O-N 2.9Å; V54-R57 VanDerWaalsContact O-N 3.09Å; H55-R57 PolarHBondContact O-N 3.13Å; R57-V106 HydrophobicContact CB-CG2 4.3Å; R57-E109 WeakPolarHBondContact CD-OE2 3.46Å; R57-E109 IonicContact CZ-OE2 3.97Å; R57-E109 IonicContact NE-OE2 2.93Å; R57-E109 IonicContact NH1-OE2 3.44Å; R57-E109 PolarHBondContact NH1-OE2 2.97Å
58	K	83.4	Confident	83.1	Confident	120 Å²	120	63.3 Å²	63.3	52%	0.522	33%	0.328	S	S	.	.			trans	-84	113	176.8	-71.9	177.1	-168.9	158.5	0	109.1	P49 E56	P49-K58 WeakPolarHBondContact CB-O 3.49Å; E56-K58 HydrophobicContact CB-CB 4.43Å; E56-K58 HydrophobicContact CB-CD 4.17Å; E56-K58 HydrophobicContact CB-CG 4.1Å; E56-K58 PolarHBondContact O-N 2.86Å; E56-K58 VanDerWaalsContact OE2-CD 3.29Å; E56-K58 WeakPolarHBondContact OE2-CD 3.24Å; E56-K58 VanDerWaalsContact OE2-CE 3.29Å; E56-K58 WeakPolarHBondContact OE2-CE 3.43Å; E56-K58 IonicContact OE2-NZ 3.72Å; E56-K58 PolarHBondContact OE2-NZ 3.27Å
59	C	87.9	Confident	83.7	Confident	33 Å²	33	59 Å²	59	22%	0.223	31%	0.308	C	S	.	.			trans	-72.7	166.2	-175.9	-50.8	0	0	0	0	111.8	H46 C101	H46-C59 HydrophobicContact CB-CB 3.54Å; C59-C101 HydrophobicContact CB-CB 3.71Å; C59-C101 WeakPolarHBondContact CB-SG 3.28Å; C59-C101 WeakPolarHBondContact SG-CB 3.25Å; C59-C101 CovalentContact SG-SG 2.03Å; C59-C101 PolarHBondContact SG-SG 3.4Å
60	G	86.4	Confident	84.3	Confident	25 Å²	25	58.8 Å²	58.8	26%	0.258	31%	0.307	S	S	.	.			trans	-76.9	-160.9	176	0	0	0	0	0	112.9	H46 H47	H46-G60 PolarHBondContact CD2-O 2.72Å; H47-G60 PolarHBondContact O-N 3.22Å
61	A	87.9	Confident	85.3	Confident	42 Å²	42	55.6 Å²	55.6	35%	0.347	29%	0.286	S	S	.	.	S	Bend	trans	-67.6	163	178.2	0	0	0	0	0	113.5	H46 H47	H46-A61 CarbonylContact C-O 3.58Å; H46-A61 WeakPolarHBondContact CA-O 3.01Å; H47-A61 PolarHBondContact CD2-O 3.02Å; H47-A61 VanDerWaalsContact CD2-O 3.31Å; H47-A61 PolarHBondContact N-O 3.4Å
62	V	90.4	Very high	86.5	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.042	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-64.4	136.9	175.8	-178.7	0	0	0	0	111.7	V45 H46 I68 E363 F364	V45-V62 HydrophobicContact CG1-CG1 4.41Å; V45-V62 CarbonylContact O-C 3.53Å; V45-V62 WeakPolarHBondContact O-CA 3.44Å; H46-V62 WeakPolarHBondContact NE2-CG2 3.49Å; V62-I68 HydrophobicContact CG1-CD1 3.86Å; V62-I68 HydrophobicContact CG1-CG1 3.51Å; V62-E363 HydrophobicContact CG2-CB 4.43Å; V62-E363 HydrophobicContact CG2-CG 3.83Å; V62-F364 HydrophobicContact CG1-CB 4.09Å; V62-F364 HydrophobicContact CG1-CD2 4.38Å
63	R	88.3	Confident	87.6	Confident	35 Å²	35	45.2 Å²	45.2	13%	0.132	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-100.2	125	174.7	-59.3	176	85.8	177.6	7.4	109.5	V45 H46 H47 G67 I68	V45-R63 PolarHBondContact O-N 2.76Å; H46-R63 WeakPolarHBondContact O-CD 3.18Å; H47-R63 VanDerWaalsContact CD2-CG 3.45Å; H47-R63 WeakPolarHBondContact CD2-CG 3.33Å; R63-G67 WeakPolarHBondContact O-CA 3.26Å; R63-I68 PolarHBondContact O-N 3.32Å; R63-I68 VanDerWaalsContact O-N 3.08Å
64	E	87.9	Confident	88.8	Confident	41 Å²	41	40.5 Å²	40.5	19%	0.192	20%	0.2	C	C	.	.	I	π-helix	trans	-70.2	-70.3	178	-178.1	173.1	146.6	0	0	112	G67 I68 Q69 F364 R368	E64-G67 CarbonylContact O-C 3.52Å; E64-G67 PolarHBondContact O-N 2.96Å; E64-I68 PolarHBondContact O-N 3.28Å; E64-I68 VanDerWaalsContact O-N 3.08Å; E64-Q69 HydrophobicContact CG-CG 3.97Å; E64-Q69 PolarHBondContact O-N 3.35Å; E64-Q69 PolarHBondContact OE1-NE2 3.33Å; E64-F364 HydrophobicContact CB-CE2 3.79Å; E64-F364 HydrophobicContact CB-CZ 4.49Å; E64-F364 HydrophobicContact CG-CE2 3.64Å; E64-F364 HydrophobicContact CG-CZ 3.84Å; E64-F364 WeakPolarHBondContact OE2-CE2 3.33Å; E64-F364 WeakPolarHBondContact OE2-CZ 3.4Å; E64-R368 IonicContact OE1-CZ 2.64Å; E64-R368 IonicContact OE1-NH1 3.32Å; E64-R368 PolarHBondContact OE1-NH1 2.78Å; E64-R368 VanDerWaalsContact OE2-CD 3.3Å; E64-R368 WeakPolarHBondContact OE2-CD 3.49Å; E64-R368 IonicContact OE2-CZ 3.49Å; E64-R368 IonicContact OE2-NE 2.75Å; E64-R368 IonicContact OE2-NH1 3.58Å; E64-R368 PolarHBondContact OE2-NH1 2.83Å
65	Q	85.7	Confident	89.7	Confident	79 Å²	79	38.3 Å²	38.3	37%	0.369	19%	0.187	S	C	.	.	I	π-helix	trans	-62	-58.8	-169.4	-68.7	165.7	-37.7	0	0	111.7	G67 D400	Q65-G67 PolarHBondContact O-N 3.12Å; Q65-D400 HydrophobicContact CB-CB 4.1Å
66	Y	86.5	Confident	90.5	Very high	33 Å²	33	31.5 Å²	31.5	13%	0.129	16%	0.155	C	C	.	.	I	π-helix	trans	-80	-1.6	-176.2	-62.1	-25.7	0	0	0	115.2	R70 D400	Y66-R70 WeakPolarHBondContact O-CD 3.32Å; Y66-R70 PolarHBondContact O-NH1 3.45Å; Y66-D400 WeakPolarHBondContact CD1-OD1 3.47Å; Y66-D400 VanDerWaalsContact CE1-OD1 3.24Å; Y66-D400 WeakPolarHBondContact CE1-OD1 3.06Å
67	G	91.1	Very high	91.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	I	π-helix	trans	-121.2	-93.4	-178.1	0	0	0	0	0	111	S44 R63 E64 Q65 Q69 R70 V71	S44-G67 WeakPolarHBondContact O-CA 3.2Å; R63-G67 WeakPolarHBondContact O-CA 3.26Å; E64-G67 CarbonylContact O-C 3.52Å; E64-G67 PolarHBondContact O-N 2.96Å; Q65-G67 PolarHBondContact O-N 3.12Å; G67-Q69 PolarHBondContact O-N 3.37Å; G67-R70 WeakPolarHBondContact O-CB 3.39Å; G67-R70 PolarHBondContact O-N 2.99Å; G67-V71 PolarHBondContact O-N 2.87Å; G67-V71 VanDerWaalsContact O-N 3.16Å
68	I	94.2	Very high	91.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-56.4	-45.2	-171.9	-59.2	-70.6	0	0	0	112.9	V45 V62 R63 E64 R70 V71 E72 W360 F361 F364	V45-I68 HydrophobicContact CG1-CD1 3.84Å; V62-I68 HydrophobicContact CG1-CD1 3.86Å; V62-I68 HydrophobicContact CG1-CG1 3.51Å; R63-I68 PolarHBondContact O-N 3.32Å; R63-I68 VanDerWaalsContact O-N 3.08Å; E64-I68 PolarHBondContact O-N 3.28Å; E64-I68 VanDerWaalsContact O-N 3.08Å; I68-R70 PolarHBondContact O-N 3Å; I68-V71 PolarHBondContact O-N 3.33Å; I68-E72 HydrophobicContact CG2-CG 4.37Å; I68-E72 WeakPolarHBondContact O-CG 3.31Å; I68-E72 PolarHBondContact O-N 3.2Å; I68-W360 HydrophobicContact CD1-CB 3.63Å; I68-F361 HydrophobicContact CG2-CD2 4.24Å; I68-F364 HydrophobicContact CB-CD2 4.48Å; I68-F364 HydrophobicContact CB-CG 4.31Å; I68-F364 HydrophobicContact CD1-CB 3.93Å; I68-F364 HydrophobicContact CD1-CG 4.45Å; I68-F364 HydrophobicContact CG1-CB 3.82Å; I68-F364 HydrophobicContact CG1-CD2 4.05Å; I68-F364 HydrophobicContact CG1-CG 3.85Å; I68-F364 HydrophobicContact CG2-CD1 3.84Å; I68-F364 HydrophobicContact CG2-CE1 4.2Å; I68-F364 HydrophobicContact CG2-CG 4.05Å
69	Q	94.7	Very high	92.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.102	C	C	.	.	I	π-helix	trans	-60.1	-34.2	179.6	-65.8	-175.1	10.3	0	0	111.4	E64 G67 A73 F343 Y347 A398 M403	E64-Q69 HydrophobicContact CG-CG 3.97Å; E64-Q69 PolarHBondContact O-N 3.35Å; E64-Q69 PolarHBondContact OE1-NE2 3.33Å; G67-Q69 PolarHBondContact O-N 3.37Å; Q69-A73 VanDerWaalsContact O-CB 3.24Å; Q69-A73 WeakPolarHBondContact O-CB 3.28Å; Q69-A73 PolarHBondContact O-N 3.4Å; Q69-F343 HydrophobicContact CB-CE1 4.18Å; Q69-F343 HydrophobicContact CB-CZ 4.02Å; Q69-F343 VanDerWaalsContact O-CZ 3.27Å; Q69-F343 WeakPolarHBondContact O-CZ 3.35Å; Q69-Y347 HydrophobicContact CG-CE1 4.18Å; Q69-Y347 HydrophobicContact CG-CE2 3.94Å; Q69-A398 PolarHBondContact NE2-O 3.06Å; Q69-M403 HydrophobicContact CB-CE 3.5Å; Q69-M403 VanDerWaalsContact CB-CE 3.5Å; Q69-M403 VanDerWaalsContact O-CE 3.28Å; Q69-M403 WeakPolarHBondContact O-CE 3.12Å
70	R	95.3	Very high	92.9	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.011	11%	0.109	C	C	.	.	H	α-helix	trans	-72.7	-37.5	177	-62.4	-173.6	174.8	150.4	-5.5	113.3	F43 Y66 G67 I68 A73 M74 D400 M403 V406	F43-R70 HydrophobicContact CD1-CB 3.84Å; F43-R70 HydrophobicContact CD2-CB 4.08Å; F43-R70 HydrophobicContact CE1-CB 4.02Å; F43-R70 HydrophobicContact CE2-CB 4.25Å; F43-R70 WeakPolarHBondContact CE2-O 3.38Å; F43-R70 HydrophobicContact CG-CB 3.88Å; F43-R70 HydrophobicContact CZ-CB 4.23Å; Y66-R70 WeakPolarHBondContact O-CD 3.32Å; Y66-R70 PolarHBondContact O-NH1 3.45Å; G67-R70 WeakPolarHBondContact O-CB 3.39Å; G67-R70 PolarHBondContact O-N 2.99Å; I68-R70 PolarHBondContact O-N 3Å; R70-A73 PolarHBondContact O-N 3.17Å; R70-M74 WeakPolarHBondContact O-CB 3.38Å; R70-M74 PolarHBondContact O-N 3.26Å; R70-D400 IonicContact CZ-OD2 3.55Å; R70-D400 IonicContact NE-OD2 2.74Å; R70-D400 PolarHBondContact NE-OD2 3.48Å; R70-D400 IonicContact NH2-OD1 2.65Å; R70-D400 PolarHBondContact NH2-OD1 2.93Å; R70-D400 IonicContact NH2-OD2 3.44Å; R70-D400 PolarHBondContact NH2-OD2 3.42Å; R70-M403 HydrophobicContact CG-CE 4.26Å; R70-M403 HydrophobicContact CG-SD 4.28Å; R70-V406 HydrophobicContact CG-CG2 4.11Å
71	V	96.4	Very high	93.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.6	-51	173	179.7	0	0	0	0	109.6	F43 V45 G67 I68 M74 M75 I97 N358	F43-V71 HydrophobicContact CD2-CG2 3.99Å; V45-V71 HydrophobicContact CG2-CG2 4Å; G67-V71 PolarHBondContact O-N 2.87Å; G67-V71 VanDerWaalsContact O-N 3.16Å; I68-V71 PolarHBondContact O-N 3.33Å; V71-M74 PolarHBondContact O-N 2.95Å; V71-M75 HydrophobicContact CG1-CE 4Å; V71-M75 WeakPolarHBondContact O-CG 3.37Å; V71-M75 PolarHBondContact O-N 2.87Å; V71-I97 HydrophobicContact CG1-CD1 4.1Å; V71-I97 HydrophobicContact CG2-CG2 4.23Å; V71-N358 HydrophobicContact CG1-CB 4.43Å
72	E	96.1	Very high	93.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.4	-42.7	178	-66	-53.5	140.9	0	0	112.5	I68 M74 M75 H76 F343 Y346 Y347 L350 N355 N358	I68-E72 HydrophobicContact CG2-CG 4.37Å; I68-E72 WeakPolarHBondContact O-CG 3.31Å; I68-E72 PolarHBondContact O-N 3.2Å; E72-M74 VanDerWaalsContact C-N 3.35Å; E72-M74 PolarHBondContact O-N 3.45Å; E72-M75 PolarHBondContact O-N 3.43Å; E72-H76 WeakPolarHBondContact O-CB 3.44Å; E72-H76 PolarHBondContact O-N 3.19Å; E72-F343 HydrophobicContact CB-CE2 3.97Å; E72-F343 HydrophobicContact CB-CZ 4.29Å; E72-Y346 HydrophobicContact CB-CE1 4.2Å; E72-Y346 PolarHBondContact OE2-OH 2.79Å; E72-Y347 HydrophobicContact CB-CD2 4.14Å; E72-Y347 HydrophobicContact CB-CE2 4.45Å; E72-Y347 HydrophobicContact CG-CD2 4.12Å; E72-Y347 HydrophobicContact CG-CE2 4.07Å; E72-L350 HydrophobicContact CB-CD1 4.28Å; E72-L350 HydrophobicContact CG-CD1 3.72Å; E72-L350 VanDerWaalsContact OE2-CD1 3.29Å; E72-L350 WeakPolarHBondContact OE2-CD1 3.29Å; E72-N355 VanDerWaalsContact CD-ND2 3.27Å; E72-N355 PolarHBondContact OE1-ND2 2.95Å; E72-N355 PolarHBondContact OE2-ND2 2.83Å; E72-N358 WeakPolarHBondContact OE1-CB 3.47Å; E72-N358 PolarHBondContact OE1-ND2 2.89Å
73	A	96.1	Very high	94	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.7	-38.7	178.1	0	0	0	0	0	111.9	Q69 R70 T77 F343 M403	Q69-A73 VanDerWaalsContact O-CB 3.24Å; Q69-A73 WeakPolarHBondContact O-CB 3.28Å; Q69-A73 PolarHBondContact O-N 3.4Å; R70-A73 PolarHBondContact O-N 3.17Å; A73-T77 VanDerWaalsContact O-CB 3.23Å; A73-T77 WeakPolarHBondContact O-CB 3.33Å; A73-T77 PolarHBondContact O-N 3.32Å; A73-T77 PolarHBondContact O-OG1 3.48Å; A73-F343 HydrophobicContact CB-CD2 3.86Å; A73-F343 HydrophobicContact CB-CE2 3.67Å; A73-F343 HydrophobicContact CB-CZ 4.22Å; A73-M403 HydrophobicContact CB-CE 3.9Å; A73-M403 HydrophobicContact CB-CG 4.2Å; A73-M403 HydrophobicContact CB-SD 3.25Å; A73-M403 WeakPolarHBondContact CB-SD 3.48Å
74	M	97.1	Very high	94.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.2	-47.9	174.8	-176.9	173.9	-176.3	0	0	111.6	I39 A41 F43 R70 V71 E72 H76 T77 L78 C95 I97 I153 I410	I39-M74 HydrophobicContact CB-CE 4.39Å; I39-M74 HydrophobicContact CG2-CE 4.01Å; A41-M74 HydrophobicContact CB-CE 3.83Å; A41-M74 HydrophobicContact CB-SD 3.39Å; A41-M74 WeakPolarHBondContact CB-SD 3.41Å; F43-M74 HydrophobicContact CE2-CB 3.75Å; F43-M74 HydrophobicContact CE2-CG 4.34Å; F43-M74 HydrophobicContact CE2-SD 3.68Å; F43-M74 HydrophobicContact CZ-CB 3.95Å; F43-M74 HydrophobicContact CZ-CG 4.43Å; F43-M74 HydrophobicContact CZ-SD 3.8Å; R70-M74 WeakPolarHBondContact O-CB 3.38Å; R70-M74 PolarHBondContact O-N 3.26Å; V71-M74 PolarHBondContact O-N 2.95Å; E72-M74 VanDerWaalsContact C-N 3.35Å; E72-M74 PolarHBondContact O-N 3.45Å; M74-H76 PolarHBondContact O-N 2.98Å; M74-T77 PolarHBondContact O-N 2.93Å; M74-L78 HydrophobicContact CE-CD1 4.09Å; M74-L78 HydrophobicContact CG-CD1 4.1Å; M74-L78 WeakPolarHBondContact O-CG 3.13Å; M74-L78 PolarHBondContact O-N 2.88Å; M74-C95 HydrophobicContact CE-CB 3.69Å; M74-I97 HydrophobicContact CB-CD1 4.21Å; M74-I97 HydrophobicContact CG-CD1 4.19Å; M74-I97 HydrophobicContact SD-CD1 3.83Å; M74-I97 HydrophobicContact SD-CG1 3.9Å; M74-I153 HydrophobicContact CE-CD1 4.45Å; M74-I410 HydrophobicContact CB-CD1 3.88Å; M74-I410 HydrophobicContact CG-CD1 3.76Å; M74-I410 HydrophobicContact CG-CG1 4.37Å
75	M	95.6	Very high	94.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-48.7	177.5	-70.6	-169.9	-175.5	0	0	111.5	A31 M33 V71 E72 T77 L78 D79 I97 R357 N358	A31-M75 HydrophobicContact CB-CE 3.59Å; M33-M75 HydrophobicContact CE-CB 4.09Å; M33-M75 HydrophobicContact CE-CG 4.14Å; V71-M75 HydrophobicContact CG1-CE 4Å; V71-M75 WeakPolarHBondContact O-CG 3.37Å; V71-M75 PolarHBondContact O-N 2.87Å; E72-M75 PolarHBondContact O-N 3.43Å; M75-T77 PolarHBondContact O-N 3.17Å; M75-L78 PolarHBondContact O-N 2.85Å; M75-D79 VanDerWaalsContact O-CG 3.23Å; M75-D79 PolarHBondContact O-N 3.37Å; M75-I97 HydrophobicContact CE-CD1 4.23Å; M75-I97 HydrophobicContact CG-CD1 4.23Å; M75-R357 HydrophobicContact CE-CB 4.3Å; M75-R357 HydrophobicContact SD-CB 3.77Å; M75-N358 HydrophobicContact CE-CB 4.48Å
76	H	95.9	Very high	94.5	Very high	34 Å²	34	32.2 Å²	32.2	16%	0.157	17%	0.166	C	C	.	.	H	α-helix	trans	-71.6	-30.5	-179	-166.7	40.5	0	0	0	113.2	E72 M74 L78 D79 R80 W342 Y346	E72-H76 WeakPolarHBondContact O-CB 3.44Å; E72-H76 PolarHBondContact O-N 3.19Å; M74-H76 PolarHBondContact O-N 2.98Å; H76-L78 VanDerWaalsContact C-N 3.35Å; H76-D79 PolarHBondContact O-N 2.69Å; H76-R80 WeakPolarHBondContact O-CB 3.44Å; H76-R80 VanDerWaalsContact O-CG 3.24Å; H76-R80 WeakPolarHBondContact O-CG 3.43Å; H76-R80 PolarHBondContact O-N 2.9Å; H76-W342 AromaticContact CD2-CE3 3.63Å; H76-W342 AromaticContact CD2-CZ3 3.61Å; H76-Y346 HydrophobicContact CB-CD1 3.82Å; H76-Y346 HydrophobicContact CB-CD2 4.27Å; H76-Y346 HydrophobicContact CB-CE1 3.65Å; H76-Y346 HydrophobicContact CB-CE2 4.11Å; H76-Y346 HydrophobicContact CB-CG 4.12Å; H76-Y346 AromaticContact CD2-CD1 3.92Å; H76-Y346 AromaticContact CD2-CD2 3.7Å; H76-Y346 AromaticContact CD2-CG 3.43Å; H76-Y346 VanDerWaalsContact CD2-CG 3.43Å; H76-Y346 AromaticContact CE1-CD2 3.86Å; H76-Y346 AromaticContact CG-CD1 3.89Å; H76-Y346 AromaticContact CG-CD2 3.63Å; H76-Y346 AromaticContact CG-CE2 3.82Å; H76-Y346 AromaticContact CG-CG 3.65Å; H76-Y346 AromaticContact ND1-CD2 3.71Å; H76-Y346 AromaticContact ND1-CE2 3.79Å; H76-Y346 AromaticContact NE2-CD2 3.88Å; H76-Y346 AromaticContact NE2-CG 3.96Å
77	T	96.9	Very high	94.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-41.8	172.7	-57.9	0	0	0	0	111	A73 M74 M75 R80 I81 I407 I410 Y411	A73-T77 VanDerWaalsContact O-CB 3.23Å; A73-T77 WeakPolarHBondContact O-CB 3.33Å; A73-T77 PolarHBondContact O-N 3.32Å; A73-T77 PolarHBondContact O-OG1 3.48Å; M74-T77 PolarHBondContact O-N 2.93Å; M75-T77 PolarHBondContact O-N 3.17Å; T77-R80 PolarHBondContact O-N 3.5Å; T77-I81 HydrophobicContact CG2-CD1 3.9Å; T77-I81 WeakPolarHBondContact O-CG1 3.29Å; T77-I81 PolarHBondContact O-N 3.47Å; T77-I407 HydrophobicContact CG2-CG2 4.13Å; T77-I410 HydrophobicContact CG2-CB 4.02Å; T77-I410 HydrophobicContact CG2-CD1 4.18Å; T77-I410 HydrophobicContact CG2-CG2 3.67Å; T77-Y411 HydrophobicContact CG2-CD2 4.33Å; T77-Y411 HydrophobicContact CG2-CE2 3.93Å
78	L	96.6	Very high	94.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.1	-41	175.9	-67	171.8	0	0	0	111.8	M33 I39 M74 M75 H76 R80 I81 N82 L93 C95 I410	M33-L78 HydrophobicContact CE-CB 3.85Å; M33-L78 HydrophobicContact CE-CD1 3.98Å; M33-L78 HydrophobicContact SD-CB 4.21Å; I39-L78 HydrophobicContact CD1-CD2 4.47Å; M74-L78 HydrophobicContact CE-CD1 4.09Å; M74-L78 HydrophobicContact CG-CD1 4.1Å; M74-L78 WeakPolarHBondContact O-CG 3.13Å; M74-L78 PolarHBondContact O-N 2.88Å; M75-L78 PolarHBondContact O-N 2.85Å; H76-L78 VanDerWaalsContact C-N 3.35Å; L78-R80 PolarHBondContact O-N 2.85Å; L78-I81 PolarHBondContact O-N 3.27Å; L78-N82 VanDerWaalsContact O-CB 3.3Å; L78-N82 WeakPolarHBondContact O-CB 3.38Å; L78-N82 PolarHBondContact O-N 2.98Å; L78-N82 PolarHBondContact O-ND2 2.74Å; L78-L93 HydrophobicContact CD2-CB 3.82Å; L78-L93 HydrophobicContact CD2-CD1 4Å; L78-C95 HydrophobicContact CD1-CB 3.56Å; L78-I410 HydrophobicContact CD2-CG2 3.92Å; L78-I410 HydrophobicContact CG-CG2 4.41Å
79	D	95.7	Very high	94.6	Very high	50 Å²	50	32.8 Å²	32.8	27%	0.267	17%	0.173	S	C	.	.	H	α-helix	trans	-56.3	-38	171.4	-64.7	-23.9	0	0	0	111.9	M75 H76 A83 R357	M75-D79 VanDerWaalsContact O-CG 3.23Å; M75-D79 PolarHBondContact O-N 3.37Å; H76-D79 PolarHBondContact O-N 2.69Å; D79-A83 WeakPolarHBondContact O-CB 3.33Å; D79-A83 PolarHBondContact O-N 3.36Å; D79-R357 IonicContact OD1-CZ 3.31Å; D79-R357 IonicContact OD1-NH1 2.76Å; D79-R357 PolarHBondContact OD1-NH1 3.14Å; D79-R357 IonicContact OD1-NH2 3.15Å; D79-R357 PolarHBondContact OD1-NH2 3.27Å; D79-R357 IonicContact OD2-CZ 3.81Å; D79-R357 IonicContact OD2-NH1 3.61Å; D79-R357 PolarHBondContact OD2-NH1 2.91Å; D79-R357 IonicContact OD2-NH2 2.62Å
80	R	95.5	Very high	94.5	Very high	103 Å²	103	38.5 Å²	38.5	39%	0.389	20%	0.203	S	C	.	.	H	α-helix	trans	-72.7	-41	177.2	-71.5	175.9	69.9	90	9.7	113	H76 T77 L78 A83 D84	H76-R80 WeakPolarHBondContact O-CB 3.44Å; H76-R80 VanDerWaalsContact O-CG 3.24Å; H76-R80 WeakPolarHBondContact O-CG 3.43Å; H76-R80 PolarHBondContact O-N 2.9Å; T77-R80 PolarHBondContact O-N 3.5Å; L78-R80 PolarHBondContact O-N 2.85Å; R80-A83 PolarHBondContact O-N 3.15Å; R80-D84 PolarHBondContact O-N 3.11Å
81	I	96.1	Very high	94.4	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-44.6	176.7	-68.6	163.5	0	0	0	110.1	T77 L78 A83 D84 I87 L93 I410 Y411 A414	T77-I81 HydrophobicContact CG2-CD1 3.9Å; T77-I81 WeakPolarHBondContact O-CG1 3.29Å; T77-I81 PolarHBondContact O-N 3.47Å; L78-I81 PolarHBondContact O-N 3.27Å; I81-A83 PolarHBondContact O-N 2.97Å; I81-A83 VanDerWaalsContact O-N 3.11Å; I81-D84 PolarHBondContact O-N 2.66Å; I81-I87 HydrophobicContact CG2-CG2 4.42Å; I81-L93 HydrophobicContact CG2-CD1 3.94Å; I81-I410 HydrophobicContact CD1-CG2 3.84Å; I81-Y411 HydrophobicContact CD1-CD1 4.04Å; I81-Y411 HydrophobicContact CD1-CE1 3.96Å; I81-Y411 HydrophobicContact CG1-CD1 4.17Å; I81-Y411 HydrophobicContact CG1-CE1 3.64Å; I81-A414 HydrophobicContact CD1-CB 4Å; I81-A414 HydrophobicContact CG2-CB 4.29Å
82	N	95.9	Very high	94.3	Very high	56 Å²	56	41.7 Å²	41.7	30%	0.299	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.8	176.5	-68.7	-27.1	0	0	0	113.6	L78 L93	L78-N82 VanDerWaalsContact O-CB 3.3Å; L78-N82 WeakPolarHBondContact O-CB 3.38Å; L78-N82 PolarHBondContact O-N 2.98Å; L78-N82 PolarHBondContact O-ND2 2.74Å; N82-L93 PolarHBondContact ND2-O 2.97Å; N82-L93 PolarHBondContact OD1-N 3.41Å
83	A	95.5	Very high	94.2	Very high	73 Å²	73	41.7 Å²	41.7	60%	0.603	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-15	174.2	0	0	0	0	0	113.7	D79 R80 I81	D79-A83 WeakPolarHBondContact O-CB 3.33Å; D79-A83 PolarHBondContact O-N 3.36Å; R80-A83 PolarHBondContact O-N 3.15Å; I81-A83 PolarHBondContact O-N 2.97Å; I81-A83 VanDerWaalsContact O-N 3.11Å
84	D	93.3	Very high	94.2	Very high	57 Å²	57	41.7 Å²	41.7	31%	0.305	22%	0.223	S	C	.	.			trans	-85.8	125.1	-179.8	-169.3	-5	0	0	0	111	R80 I81 N86	R80-D84 PolarHBondContact O-N 3.11Å; I81-D84 PolarHBondContact O-N 2.66Å; D84-N86 VanDerWaalsContact C-N 3.3Å; D84-N86 WeakPolarHBondContact OD1-CB 3.28Å; D84-N86 PolarHBondContact OD1-N 2.8Å; D84-N86 PolarHBondContact OD1-ND2 2.92Å
85	Q	89.8	Confident	94.1	Very high	144 Å²	144	41.7 Å²	41.7	67%	0.673	22%	0.223	S	C	*	.	S	Bend	trans	-81.1	-10.2	178.1	-61.1	-61.3	-58	0	0	113.1
86	N	90.6	Very high	94	Very high	118 Å²	118	42.1 Å²	42.1	63%	0.631	23%	0.225	S	C	*	.	S	Bend	trans	-83.5	-23.1	-177.7	-61.5	-78.9	0	0	0	113.3	D84 H418	D84-N86 VanDerWaalsContact C-N 3.3Å; D84-N86 WeakPolarHBondContact OD1-CB 3.28Å; D84-N86 PolarHBondContact OD1-N 2.8Å; D84-N86 PolarHBondContact OD1-ND2 2.92Å; N86-H418 PolarHBondContact O-NE2 3.31Å
87	I	91.4	Very high	94	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.062	22%	0.218	C	C	.	.	S	Bend	trans	-123.6	126.7	-174.2	-55.7	173.5	0	0	0	107.7	I81 Y411 A414 F415 H418	I81-I87 HydrophobicContact CG2-CG2 4.42Å; I87-Y411 HydrophobicContact CD1-CE1 4.45Å; I87-A414 HydrophobicContact CG2-CB 4.31Å; I87-F415 HydrophobicContact CD1-CE1 3.74Å; I87-F415 HydrophobicContact CD1-CE2 4.1Å; I87-F415 HydrophobicContact CD1-CZ 3.46Å; I87-F415 VanDerWaalsContact CD1-CZ 3.46Å; I87-F415 HydrophobicContact CG1-CE1 3.96Å; I87-F415 HydrophobicContact CG1-CZ 4.19Å; I87-H418 HydrophobicContact CG2-CB 4.32Å
88	L	92	Very high	93.9	Very high	6 Å²	6	41 Å²	41	3%	0.031	22%	0.219	C	C	.	.	S	Bend	trans	50	48.1	177.5	-65.4	169.4	0	0	0	115.8	N90 I91 L93 A414 L417 H418	L88-N90 PolarHBondContact O-N 3.14Å; L88-I91 HydrophobicContact CB-CB 4.28Å; L88-I91 HydrophobicContact CD2-CD1 4Å; L88-I91 PolarHBondContact O-N 3.18Å; L88-I91 VanDerWaalsContact O-N 3.11Å; L88-L93 HydrophobicContact CD1-CD1 3.77Å; L88-L93 HydrophobicContact CD1-CD2 3.89Å; L88-L93 HydrophobicContact CD1-CG 3.94Å; L88-A414 HydrophobicContact CD1-CB 4.2Å; L88-L417 HydrophobicContact CD1-CB 4.23Å; L88-L417 HydrophobicContact CD2-CB 4.01Å; L88-H418 WeakPolarHBondContact CA-CE1 3.46Å; L88-H418 HydrophobicContact CD2-CB 4.13Å; L88-H418 HydrophobicContact CG-CB 4.13Å; L88-H418 PolarHBondContact N-CE1 3.46Å; L88-H418 PolarHBondContact N-ND1 2.95Å; L88-H418 VanDerWaalsContact N-ND1 3.13Å
89	P	90.7	Very high	93.9	Very high	27 Å²	27	41.7 Å²	41.7	18%	0.175	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	135.1	179.8	27.2	-35.6	0	0	0	111.9	I91 H418 G430	P89-I91 VanDerWaalsContact C-N 3.29Å; P89-I91 PolarHBondContact O-N 3.32Å; P89-H418 WeakPolarHBondContact CD-NE2 3.02Å; P89-G430 PolarHBondContact O-N 3.48Å
90	N	91.2	Very high	93.7	Very high	120 Å²	120	39.4 Å²	39.4	64%	0.642	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	29.3	-174.9	-161.7	46.3	0	0	0	114.5	L88 Q429 G430	L88-N90 PolarHBondContact O-N 3.14Å; N90-Q429 HydrophobicContact CB-CB 4.17Å; N90-Q429 PolarHBondContact ND2-O 2.73Å; N90-G430 VanDerWaalsContact O-CA 3.28Å; N90-G430 WeakPolarHBondContact O-CA 3.34Å
91	I	93.1	Very high	93.4	Very high	9 Å²	9	34.6 Å²	34.6	5%	0.046	19%	0.193	C	C	.	.			trans	-132	127	169	-57.3	178.4	0	0	0	108.4	D36 I37 L88 P89 Q421 L431	D36-I91 HydrophobicContact CB-CG2 4.03Å; I37-I91 HydrophobicContact CD1-CG2 3.67Å; I37-I91 HydrophobicContact CG1-CG2 3.97Å; L88-I91 HydrophobicContact CB-CB 4.28Å; L88-I91 HydrophobicContact CD2-CD1 4Å; L88-I91 PolarHBondContact O-N 3.18Å; L88-I91 VanDerWaalsContact O-N 3.11Å; P89-I91 VanDerWaalsContact C-N 3.29Å; P89-I91 PolarHBondContact O-N 3.32Å; I91-Q421 HydrophobicContact CD1-CG 3.92Å; I91-L431 HydrophobicContact CD1-CD2 4.07Å; I91-L431 HydrophobicContact CD1-CG 4.02Å; I91-L431 HydrophobicContact CG1-CG 4.31Å
92	T	94.6	Very high	92.9	Very high	62 Å²	62	37.1 Å²	37.1	38%	0.38	20%	0.202	S	C	.	.			trans	-93.2	126.6	172.2	57.8	0	0	0	0	111.6	G35 D36 I37	G35-T92 WeakPolarHBondContact CA-OG1 3.43Å; D36-T92 WeakPolarHBondContact CA-O 3.25Å; D36-T92 WeakPolarHBondContact CB-O 3.35Å; D36-T92 PolarHBondContact N-O 3.4Å; D36-T92 PolarHBondContact N-OG1 3.26Å; D36-T92 PolarHBondContact OD2-N 3.42Å; D36-T92 PolarHBondContact OD2-OG1 3.47Å; I37-T92 PolarHBondContact N-O 2.75Å
93	L	95.6	Very high	92.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.7	168.8	-63.2	-173.9	0	0	0	110	I37 I39 L78 I81 N82 L88 A414 L417	I37-L93 HydrophobicContact CB-CD2 3.9Å; I37-L93 HydrophobicContact CD1-CD2 4.12Å; I37-L93 HydrophobicContact CG1-CD2 4.49Å; I37-L93 HydrophobicContact CG2-CD2 4.22Å; I39-L93 HydrophobicContact CD1-CD1 4.09Å; I39-L93 HydrophobicContact CD1-CD2 4.36Å; L78-L93 HydrophobicContact CD2-CB 3.82Å; L78-L93 HydrophobicContact CD2-CD1 4Å; I81-L93 HydrophobicContact CG2-CD1 3.94Å; N82-L93 PolarHBondContact ND2-O 2.97Å; N82-L93 PolarHBondContact OD1-N 3.41Å; L88-L93 HydrophobicContact CD1-CD1 3.77Å; L88-L93 HydrophobicContact CD1-CD2 3.89Å; L88-L93 HydrophobicContact CD1-CG 3.94Å; L93-A414 HydrophobicContact CD1-CB 4.03Å; L93-L417 HydrophobicContact CD2-CD1 4.02Å
94	G	95.1	Very high	92.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	177.2	166.1	0	0	0	0	0	111.7	M33 I37 I39	M33-G94 CarbonylContact O-C 3.52Å; M33-G94 WeakPolarHBondContact O-CA 3.45Å; I37-G94 PolarHBondContact O-N 3.4Å; I39-G94 PolarHBondContact N-O 2.93Å
95	C	95.2	Very high	92.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	155.2	178.5	66.8	0	0	0	0	113.8	H32 M33 I39 M74 L78 I97	H32-C95 CarbonylContact C-O 3.57Å; H32-C95 WeakPolarHBondContact CA-O 3.32Å; M33-C95 PolarHBondContact N-O 3.28Å; M33-C95 PolarHBondContact O-N 3.31Å; I39-C95 WeakPolarHBondContact O-CA 3.42Å; I39-C95 VanDerWaalsContact O-CB 3.27Å; I39-C95 WeakPolarHBondContact O-CB 3.12Å; M74-C95 HydrophobicContact CE-CB 3.69Å; L78-C95 HydrophobicContact CD1-CB 3.56Å; C95-I97 HydrophobicContact CB-CG1 4.47Å
96	E	94.1	Very high	92.1	Very high	10 Å²	10	28 Å²	28	5%	0.047	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	110.4	167.6	-165.5	177.7	123.1	0	0	109.2	V30 I38 I39 G40 A41 R98 F114 K146	V30-E96 HydrophobicContact CG2-CG 3.32Å; I38-E96 HydrophobicContact CG2-CB 4.15Å; I39-E96 PolarHBondContact O-N 3.43Å; I39-E96 VanDerWaalsContact O-N 3.08Å; G40-E96 CarbonylContact C-O 3.53Å; G40-E96 WeakPolarHBondContact CA-O 3.27Å; A41-E96 PolarHBondContact N-O 2.84Å; E96-R98 IonicContact OE1-CZ 2.75Å; E96-R98 IonicContact OE1-NE 2.71Å; E96-R98 PolarHBondContact OE1-NE 3.48Å; E96-R98 IonicContact OE1-NH2 3.7Å; E96-R98 PolarHBondContact OE1-NH2 3.14Å; E96-F114 HydrophobicContact CB-CE1 3.91Å; E96-F114 HydrophobicContact CG-CE1 3.93Å; E96-F114 WeakPolarHBondContact O-CE1 3.3Å; E96-F114 WeakPolarHBondContact O-CZ 3.31Å; E96-K146 IonicContact OE1-NZ 2.91Å; E96-K146 IonicContact OE2-NZ 3.85Å; E96-K146 PolarHBondContact OE2-NZ 2.85Å
97	I	95.9	Very high	92.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.3	-174.9	-51.8	176.8	0	0	0	108.8	A31 A41 F43 V71 M74 M75 C95	A31-I97 HydrophobicContact CB-CB 4.29Å; A31-I97 PolarHBondContact N-O 3.02Å; A31-I97 PolarHBondContact O-N 3.13Å; A41-I97 HydrophobicContact CB-CG1 4.37Å; A41-I97 HydrophobicContact CB-CG2 4.48Å; F43-I97 HydrophobicContact CD2-CG2 3.63Å; F43-I97 HydrophobicContact CE2-CD1 4.41Å; F43-I97 HydrophobicContact CE2-CG2 4.12Å; V71-I97 HydrophobicContact CG1-CD1 4.1Å; V71-I97 HydrophobicContact CG2-CG2 4.23Å; M74-I97 HydrophobicContact CB-CD1 4.21Å; M74-I97 HydrophobicContact CG-CD1 4.19Å; M74-I97 HydrophobicContact SD-CD1 3.83Å; M74-I97 HydrophobicContact SD-CG1 3.9Å; M75-I97 HydrophobicContact CE-CD1 4.23Å; M75-I97 HydrophobicContact CG-CD1 4.23Å; C95-I97 HydrophobicContact CB-CG1 4.47Å
98	R	94.8	Very high	92.3	Very high	10 Å²	10	24.5 Å²	24.5	4%	0.038	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	156.8	179.7	-66.9	-178.8	175.5	-123.3	13.2	110.9	V30 A41 L42 F43 E96 Q110 E113 F114 D117	V30-R98 HydrophobicContact CB-CG 4.42Å; V30-R98 HydrophobicContact CG2-CG 3.85Å; A41-R98 PolarHBondContact O-N 3.23Å; L42-R98 HydrophobicContact CD2-CB 4.08Å; F43-R98 PolarHBondContact N-O 3.5Å; E96-R98 IonicContact OE1-CZ 2.75Å; E96-R98 IonicContact OE1-NE 2.71Å; E96-R98 PolarHBondContact OE1-NE 3.48Å; E96-R98 IonicContact OE1-NH2 3.7Å; E96-R98 PolarHBondContact OE1-NH2 3.14Å; R98-Q110 HydrophobicContact CB-CB 3.97Å; R98-Q110 HydrophobicContact CB-CG 4.05Å; R98-E113 IonicContact NH1-OE2 3.62Å; R98-F114 HydrophobicContact CB-CE2 4.46Å; R98-F114 HydrophobicContact CB-CZ 3.89Å; R98-F114 HydrophobicContact CG-CE1 3.85Å; R98-F114 HydrophobicContact CG-CZ 3.73Å; R98-D117 IonicContact NH2-OD2 3.86Å
99	D	94.9	Very high	92.3	Very high	15 Å²	15	26.2 Å²	26.2	8%	0.08	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	134.5	180	-168.3	11.1	0	0	0	112.5	F43 S44 V45 H46 C101 Q110 W360	F43-D99 VanDerWaalsContact O-OD1 3.09Å; S44-D99 WeakPolarHBondContact CA-OD1 3.43Å; V45-D99 HydrophobicContact CB-CB 4.2Å; V45-D99 HydrophobicContact CG2-CB 4.15Å; V45-D99 PolarHBondContact N-OD1 3.06Å; H46-D99 WeakPolarHBondContact CB-OD2 3.45Å; H46-D99 IonicContact CE1-OD2 3.67Å; H46-D99 IonicContact CG-OD2 3.94Å; H46-D99 PolarHBondContact N-OD2 3.1Å; H46-D99 VanDerWaalsContact N-OD2 3.1Å; H46-D99 IonicContact ND1-OD2 3.45Å; H46-D99 PolarHBondContact ND1-OD2 3.49Å; D99-C101 PolarHBondContact OD1-N 3.46Å; D99-C101 PolarHBondContact OD2-SG 3.2Å; D99-Q110 VanDerWaalsContact O-CG 3.31Å; D99-Q110 WeakPolarHBondContact O-CG 3.27Å; D99-W360 HydrophobicContact CB-CZ2 4.4Å
100	S	92	Very high	92.3	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	14%	0.138	C	C	.	.			trans	-93.6	-16.6	173.8	56.6	0	0	0	0	113.8	F43 S44 W102 H103	F43-S100 VanDerWaalsContact C-OG 3.24Å; F43-S100 WeakPolarHBondContact O-CB 3.43Å; F43-S100 PolarHBondContact O-N 3.05Å; F43-S100 PolarHBondContact O-OG 3.48Å; S44-S100 WeakPolarHBondContact CA-OG 3.26Å; S44-S100 PolarHBondContact OG-OG 3.19Å; S100-W102 PolarHBondContact O-N 3.32Å; S100-H103 PolarHBondContact O-N 2.96Å
101	C	90.5	Very high	92.4	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.014	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	25.2	-172.8	-55.7	0	0	0	0	115	Q48 C59 D99 H103 V106	Q48-C101 WeakPolarHBondContact CA-O 3.41Å; Q48-C101 PolarHBondContact N-O 3.36Å; C59-C101 HydrophobicContact CB-CB 3.71Å; C59-C101 WeakPolarHBondContact CB-SG 3.28Å; C59-C101 WeakPolarHBondContact SG-CB 3.25Å; C59-C101 CovalentContact SG-SG 2.03Å; C59-C101 PolarHBondContact SG-SG 3.4Å; D99-C101 PolarHBondContact OD1-N 3.46Å; D99-C101 PolarHBondContact OD2-SG 3.2Å; C101-H103 PolarHBondContact O-N 2.86Å; C101-H103 VanDerWaalsContact O-N 3.14Å; C101-V106 HydrophobicContact CB-CB 4.46Å; C101-V106 HydrophobicContact CB-CG1 4.23Å
102	W	85.5	Confident	92.3	Very high	57 Å²	57	23.4 Å²	23.4	22%	0.216	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	22.4	-172.1	-156.2	-95.6	0	0	0	114.6	Q48 S100 G156	Q48-W102 HydrophobicContact CB-CB 4.48Å; S100-W102 PolarHBondContact O-N 3.32Å; W102-G156 VanDerWaalsContact CH2-O 3.26Å; W102-G156 WeakPolarHBondContact CH2-O 3.4Å
103	H	87.8	Confident	92.1	Very high	44 Å²	44	23.1 Å²	23.1	20%	0.204	12%	0.122	C	C	.	.			trans	-133.3	134.8	-172.6	-171.1	69.8	0	0	0	113.1	P49 S100 C101 A105 V106 A107	P49-H103 HydrophobicContact CG-CB 4.44Å; S100-H103 PolarHBondContact O-N 2.96Å; C101-H103 PolarHBondContact O-N 2.86Å; C101-H103 VanDerWaalsContact O-N 3.14Å; H103-A105 PolarHBondContact O-N 3.07Å; H103-V106 PolarHBondContact O-N 2.82Å; H103-A107 PolarHBondContact O-N 3.03Å
104	S	88.9	Confident	91.8	Very high	50 Å²	50	23.2 Å²	23.2	35%	0.35	12%	0.123	S	C	.	.	H	α-helix	trans	-58.1	-47.9	-172	50.2	0	0	0	0	113.6	V106 A107 L108	S104-V106 VanDerWaalsContact C-N 3.33Å; S104-V106 PolarHBondContact O-N 3.45Å; S104-A107 PolarHBondContact O-N 3.02Å; S104-L108 VanDerWaalsContact O-CB 3.3Å; S104-L108 WeakPolarHBondContact O-CB 3.39Å; S104-L108 PolarHBondContact O-N 3.2Å
105	A	89.6	Confident	91.4	Very high	42 Å²	42	23.6 Å²	23.6	35%	0.347	13%	0.125	S	C	.	.	H	α-helix	trans	-64.6	-35.2	-178.1	0	0	0	0	0	113.2	H103 E109	H103-A105 PolarHBondContact O-N 3.07Å; A105-E109 WeakPolarHBondContact O-CB 3.38Å; A105-E109 PolarHBondContact O-N 3.45Å
106	V	91	Very high	90.9	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-75.4	-44.1	178.7	179.9	0	0	0	0	110.7	R57 C101 H103 S104 L108 E109 Q110	R57-V106 HydrophobicContact CB-CG2 4.3Å; C101-V106 HydrophobicContact CB-CB 4.46Å; C101-V106 HydrophobicContact CB-CG1 4.23Å; H103-V106 PolarHBondContact O-N 2.82Å; S104-V106 VanDerWaalsContact C-N 3.33Å; S104-V106 PolarHBondContact O-N 3.45Å; V106-L108 VanDerWaalsContact C-N 3.29Å; V106-L108 PolarHBondContact O-N 3.48Å; V106-E109 WeakPolarHBondContact O-CB 3.37Å; V106-E109 PolarHBondContact O-N 3.49Å; V106-Q110 WeakPolarHBondContact O-CG 2.99Å; V106-Q110 PolarHBondContact O-N 2.99Å
107	A	93.4	Very high	89.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-38.5	174.7	0	0	0	0	0	112.4	L42 H103 S104 Q110 S111 V160 V164	L42-A107 HydrophobicContact CD1-CB 4.21Å; H103-A107 PolarHBondContact O-N 3.03Å; S104-A107 PolarHBondContact O-N 3.02Å; A107-Q110 PolarHBondContact O-N 3.37Å; A107-S111 WeakPolarHBondContact O-CB 3.29Å; A107-S111 PolarHBondContact O-N 3.08Å; A107-S111 PolarHBondContact O-OG 2.7Å; A107-V160 HydrophobicContact CB-CG1 3.3Å; A107-V164 HydrophobicContact CB-CG2 4.06Å
108	L	92.3	Very high	88.3	Confident	58 Å²	58	32.6 Å²	32.6	30%	0.304	16%	0.163	S	C	.	.	H	α-helix	trans	-69.8	-40.7	176.7	-167.7	67.8	0	0	0	111.9	S104 V106 Q110 S111 I112 L167	S104-L108 VanDerWaalsContact O-CB 3.3Å; S104-L108 WeakPolarHBondContact O-CB 3.39Å; S104-L108 PolarHBondContact O-N 3.2Å; V106-L108 VanDerWaalsContact C-N 3.29Å; V106-L108 PolarHBondContact O-N 3.48Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-Q110 PolarHBondContact O-N 3.48Å; L108-S111 PolarHBondContact O-N 2.87Å; L108-S111 VanDerWaalsContact O-N 3.13Å; L108-I112 HydrophobicContact CG-CD1 4.44Å; L108-I112 WeakPolarHBondContact O-CG1 3.45Å; L108-I112 PolarHBondContact O-N 2.92Å; L108-L167 HydrophobicContact CD1-CB 4.08Å; L108-L167 HydrophobicContact CD1-CD2 3.72Å
109	E	91.4	Very high	87.2	Confident	42 Å²	42	36.4 Å²	36.4	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	-54.9	-46.4	171.4	-179.3	-173.3	118.4	0	0	111.4	R28 R57 A105 V106 E113	R28-E109 IonicContact CZ-OE1 2.69Å; R28-E109 IonicContact NE-OE1 3.11Å; R28-E109 PolarHBondContact NE-OE1 2.72Å; R28-E109 IonicContact NH2-OE1 3.3Å; R28-E109 PolarHBondContact NH2-OE1 3.17Å; R28-E109 IonicContact NH2-OE2 2.77Å; R57-E109 WeakPolarHBondContact CD-OE2 3.46Å; R57-E109 IonicContact CZ-OE2 3.97Å; R57-E109 IonicContact NE-OE2 2.93Å; R57-E109 IonicContact NH1-OE2 3.44Å; R57-E109 PolarHBondContact NH1-OE2 2.97Å; A105-E109 WeakPolarHBondContact O-CB 3.38Å; A105-E109 PolarHBondContact O-N 3.45Å; V106-E109 WeakPolarHBondContact O-CB 3.37Å; V106-E109 PolarHBondContact O-N 3.49Å; E109-E113 PolarHBondContact O-N 3.44Å
110	Q	92.2	Very high	85.8	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-71.5	-29	176.6	-61.1	-41.7	-61.5	0	0	113.4	L42 R98 D99 V106 A107 L108 E113 F114	L42-Q110 HydrophobicContact CD2-CB 3.91Å; R98-Q110 HydrophobicContact CB-CB 3.97Å; R98-Q110 HydrophobicContact CB-CG 4.05Å; D99-Q110 VanDerWaalsContact O-CG 3.31Å; D99-Q110 WeakPolarHBondContact O-CG 3.27Å; V106-Q110 WeakPolarHBondContact O-CG 2.99Å; V106-Q110 PolarHBondContact O-N 2.99Å; A107-Q110 PolarHBondContact O-N 3.37Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-Q110 PolarHBondContact O-N 3.48Å; Q110-E113 PolarHBondContact O-N 3.47Å; Q110-F114 WeakPolarHBondContact O-CD2 3.45Å; Q110-F114 PolarHBondContact O-N 3.33Å
111	S	93.6	Very high	84.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.2	-38.8	175.8	-57.8	0	0	0	0	112.2	A107 L108 E113 F114 I115	A107-S111 WeakPolarHBondContact O-CB 3.29Å; A107-S111 PolarHBondContact O-N 3.08Å; A107-S111 PolarHBondContact O-OG 2.7Å; L108-S111 PolarHBondContact O-N 2.87Å; L108-S111 VanDerWaalsContact O-N 3.13Å; S111-E113 VanDerWaalsContact C-N 3.29Å; S111-E113 PolarHBondContact O-N 3.26Å; S111-F114 PolarHBondContact O-N 3.01Å; S111-I115 PolarHBondContact O-N 3.16Å
112	I	91.1	Very high	82.4	Confident	92 Å²	92	44.1 Å²	44.1	47%	0.472	24%	0.235	S	C	.	.	H	α-helix	trans	-60.7	-40.5	172.9	-69.1	164.5	0	0	0	110.4	L108 I115 R116 L167	L108-I112 HydrophobicContact CG-CD1 4.44Å; L108-I112 WeakPolarHBondContact O-CG1 3.45Å; L108-I112 PolarHBondContact O-N 2.92Å; I112-I115 PolarHBondContact O-N 3.1Å; I112-R116 WeakPolarHBondContact O-CB 3.46Å; I112-R116 PolarHBondContact O-N 3.38Å; I112-L167 HydrophobicContact CG1-CD2 3.73Å
113	E	89.1	Confident	80.6	Confident	57 Å²	57	47.4 Å²	47.4	27%	0.266	26%	0.257	S	S	.	.	H	α-helix	trans	-67.9	-39.1	179	-74.9	-83.1	115.4	0	0	113.3	R98 E109 Q110 S111 I115 R116 D117	R98-E113 IonicContact NH1-OE2 3.62Å; E109-E113 PolarHBondContact O-N 3.44Å; Q110-E113 PolarHBondContact O-N 3.47Å; S111-E113 VanDerWaalsContact C-N 3.29Å; S111-E113 PolarHBondContact O-N 3.26Å; E113-I115 VanDerWaalsContact C-N 3.27Å; E113-I115 PolarHBondContact O-N 3.47Å; E113-R116 WeakPolarHBondContact O-CB 3.03Å; E113-R116 PolarHBondContact O-N 2.96Å; E113-R116 WeakPolarHBondContact OE1-CD 3.4Å; E113-R116 IonicContact OE1-CZ 2.84Å; E113-R116 IonicContact OE1-NE 3.74Å; E113-R116 IonicContact OE1-NH1 3.76Å; E113-R116 PolarHBondContact OE1-NH1 3.02Å; E113-D117 PolarHBondContact O-N 2.99Å; E113-D117 VanDerWaalsContact O-N 3.12Å
114	F	89.6	Confident	78.8	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-39.5	171.2	-69.7	-49.9	0	0	0	112.6	L42 E96 R98 Q110 S111 S118 I149 L152	L42-F114 HydrophobicContact CD2-CE2 3.84Å; L42-F114 HydrophobicContact CD2-CZ 4.43Å; L42-F114 HydrophobicContact CG-CE2 4.13Å; E96-F114 HydrophobicContact CB-CE1 3.91Å; E96-F114 HydrophobicContact CG-CE1 3.93Å; E96-F114 WeakPolarHBondContact O-CE1 3.3Å; E96-F114 WeakPolarHBondContact O-CZ 3.31Å; R98-F114 HydrophobicContact CB-CE2 4.46Å; R98-F114 HydrophobicContact CB-CZ 3.89Å; R98-F114 HydrophobicContact CG-CE1 3.85Å; R98-F114 HydrophobicContact CG-CZ 3.73Å; Q110-F114 WeakPolarHBondContact O-CD2 3.45Å; Q110-F114 PolarHBondContact O-N 3.33Å; S111-F114 PolarHBondContact O-N 3.01Å; F114-S118 PolarHBondContact O-N 3.39Å; F114-S118 PolarHBondContact O-OG 2.96Å; F114-I149 HydrophobicContact CB-CD1 3.7Å; F114-I149 HydrophobicContact CB-CG1 4.16Å; F114-I149 HydrophobicContact CD1-CG2 4.21Å; F114-I149 HydrophobicContact CD2-CD1 4.37Å; F114-I149 HydrophobicContact CG-CD1 4.02Å; F114-L152 HydrophobicContact CD2-CD1 3.8Å; F114-L152 HydrophobicContact CE2-CD1 3.44Å; F114-L152 VanDerWaalsContact CE2-CD1 3.44Å; F114-L152 HydrophobicContact CZ-CD1 4.14Å
115	I	87.4	Confident	76.7	Confident	9 Å²	9	52.6 Å²	52.6	5%	0.046	29%	0.29	C	S	.	.	H	α-helix	trans	-74.1	-35.5	178.4	-69.6	159.8	0	0	0	110.9	S111 I112 E113 D117 S118 L119 L167 L168 F171 I173	S111-I115 PolarHBondContact O-N 3.16Å; I112-I115 PolarHBondContact O-N 3.1Å; E113-I115 VanDerWaalsContact C-N 3.27Å; E113-I115 PolarHBondContact O-N 3.47Å; I115-D117 PolarHBondContact O-N 3.16Å; I115-S118 CarbonylContact O-C 3.58Å; I115-S118 WeakPolarHBondContact O-CA 3.34Å; I115-S118 WeakPolarHBondContact O-CB 3.49Å; I115-S118 PolarHBondContact O-N 3.27Å; I115-S118 VanDerWaalsContact O-N 3.08Å; I115-L119 HydrophobicContact CG2-CD1 3.99Å; I115-L119 HydrophobicContact CG2-CG 4.22Å; I115-L119 WeakPolarHBondContact O-CG 3.36Å; I115-L119 PolarHBondContact O-N 2.97Å; I115-L167 HydrophobicContact CD1-CD1 4.11Å; I115-L167 HydrophobicContact CD1-CD2 3.76Å; I115-L167 HydrophobicContact CD1-CG 3.56Å; I115-L168 HydrophobicContact CD1-CD2 4.39Å; I115-F171 HydrophobicContact CD1-CD2 3.62Å; I115-F171 HydrophobicContact CD1-CE2 3.88Å; I115-F171 HydrophobicContact CD1-CG 4.41Å; I115-F171 HydrophobicContact CG1-CD2 4.08Å; I115-F171 HydrophobicContact CG1-CE2 4.48Å; I115-F171 HydrophobicContact CG1-CG 4.4Å; I115-F171 HydrophobicContact CG2-CD1 3.94Å; I115-F171 HydrophobicContact CG2-CD2 3.92Å; I115-F171 HydrophobicContact CG2-CE1 3.73Å; I115-F171 HydrophobicContact CG2-CE2 3.73Å; I115-F171 HydrophobicContact CG2-CG 4.04Å; I115-F171 HydrophobicContact CG2-CZ 3.63Å; I115-I173 HydrophobicContact CG1-CD1 4.1Å
116	R	83.6	Confident	74.3	Confident	149 Å²	149	59.2 Å²	59.2	56%	0.562	31%	0.313	S	S	*	.	H	α-helix	trans	-59.3	-46.6	176.3	-175.5	-174.1	-170.3	167.9	5.3	111.9	I112 E113 S118 L119 V120	I112-R116 WeakPolarHBondContact O-CB 3.46Å; I112-R116 PolarHBondContact O-N 3.38Å; E113-R116 WeakPolarHBondContact O-CB 3.03Å; E113-R116 PolarHBondContact O-N 2.96Å; E113-R116 WeakPolarHBondContact OE1-CD 3.4Å; E113-R116 IonicContact OE1-CZ 2.84Å; E113-R116 IonicContact OE1-NE 3.74Å; E113-R116 IonicContact OE1-NH1 3.76Å; E113-R116 PolarHBondContact OE1-NH1 3.02Å; R116-S118 PolarHBondContact O-N 2.86Å; R116-L119 PolarHBondContact O-N 3.23Å; R116-V120 WeakPolarHBondContact O-CG2 3.41Å; R116-V120 PolarHBondContact O-N 3.2Å
117	D	67.1	Low	71.8	Confident	33 Å²	33	64.4 Å²	64.4	18%	0.176	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-35.6	174.9	-68.6	-44.7	0	0	0	111.3	R98 E113 I115 S121 K146	R98-D117 IonicContact NH2-OD2 3.86Å; E113-D117 PolarHBondContact O-N 2.99Å; E113-D117 VanDerWaalsContact O-N 3.12Å; I115-D117 PolarHBondContact O-N 3.16Å; D117-S121 WeakPolarHBondContact O-CB 3.39Å; D117-S121 PolarHBondContact O-N 2.74Å; D117-S121 PolarHBondContact O-OG 3.35Å; D117-K146 HydrophobicContact CB-CD 3.95Å; D117-K146 VanDerWaalsContact CG-NZ 3.31Å; D117-K146 WeakPolarHBondContact OD1-CD 3.46Å; D117-K146 IonicContact OD1-NZ 2.62Å; D117-K146 PolarHBondContact OD1-NZ 2.77Å; D117-K146 IonicContact OD2-NZ 4Å; D117-K146 PolarHBondContact OD2-NZ 2.86Å
118	S	67.9	Low	69	Low	17 Å²	17	76.9 Å²	76.9	12%	0.119	39%	0.385	C	S	.	.	H	α-helix	trans	-70	-42	177.7	-53.8	0	0	0	0	112.8	F114 I115 R116 S121 S122 P148 I149	F114-S118 PolarHBondContact O-N 3.39Å; F114-S118 PolarHBondContact O-OG 2.96Å; I115-S118 CarbonylContact O-C 3.58Å; I115-S118 WeakPolarHBondContact O-CA 3.34Å; I115-S118 WeakPolarHBondContact O-CB 3.49Å; I115-S118 PolarHBondContact O-N 3.27Å; I115-S118 VanDerWaalsContact O-N 3.08Å; R116-S118 PolarHBondContact O-N 2.86Å; S118-S121 PolarHBondContact O-N 2.92Å; S118-S121 PolarHBondContact O-OG 3.49Å; S118-S122 PolarHBondContact O-N 3.21Å; S118-S122 PolarHBondContact O-OG 2.9Å; S118-P148 WeakPolarHBondContact OG-CA 3.38Å; S118-I149 PolarHBondContact OG-N 3.05Å
119	L	72.2	Confident	66.2	Low	90 Å²	90	78 Å²	78	47%	0.471	41%	0.41	S	S	.	.	H	α-helix	trans	-62.8	-50.6	174.7	-72.7	169.5	0	0	0	111.4	I115 R116 S121 S122 D123 F171	I115-L119 HydrophobicContact CG2-CD1 3.99Å; I115-L119 HydrophobicContact CG2-CG 4.22Å; I115-L119 WeakPolarHBondContact O-CG 3.36Å; I115-L119 PolarHBondContact O-N 2.97Å; R116-L119 PolarHBondContact O-N 3.23Å; L119-S121 VanDerWaalsContact C-N 3.26Å; L119-S121 PolarHBondContact O-N 3.27Å; L119-S122 VanDerWaalsContact O-CB 3.3Å; L119-S122 WeakPolarHBondContact O-CB 3.47Å; L119-S122 PolarHBondContact O-N 3.11Å; L119-D123 PolarHBondContact O-N 2.83Å; L119-F171 HydrophobicContact CD2-CE1 4.22Å
120	V	66.8	Low	63.3	Low	79 Å²	79	78 Å²	78	48%	0.479	42%	0.422	S	S	.	.	H	α-helix	trans	-62	-35.3	179.4	174.4	0	0	0	0	111.6	R116 S122 D123 E124	R116-V120 WeakPolarHBondContact O-CG2 3.41Å; R116-V120 PolarHBondContact O-N 3.2Å; V120-S122 PolarHBondContact O-N 3.25Å; V120-D123 PolarHBondContact O-N 3.23Å; V120-E124 PolarHBondContact O-N 3.29Å
121	S	56.8	Low	60.8	Low	29 Å²	29	84.9 Å²	84.9	20%	0.203	46%	0.464	C	S	.	.	H	α-helix	trans	-68.3	-15.4	174.8	75.3	0	0	0	0	114.5	D117 S118 L119 P148	D117-S121 WeakPolarHBondContact O-CB 3.39Å; D117-S121 PolarHBondContact O-N 2.74Å; D117-S121 PolarHBondContact O-OG 3.35Å; S118-S121 PolarHBondContact O-N 2.92Å; S118-S121 PolarHBondContact O-OG 3.49Å; L119-S121 VanDerWaalsContact C-N 3.26Å; L119-S121 PolarHBondContact O-N 3.27Å; S121-P148 WeakPolarHBondContact OG-CD 3.26Å
122	S	53.1	Low	57.9	Low	71 Å²	71	89 Å²	89	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-85.5	-42.2	175.7	-53.7	0	0	0	0	111	S118 L119 V120 E124 A125	S118-S122 PolarHBondContact O-N 3.21Å; S118-S122 PolarHBondContact O-OG 2.9Å; L119-S122 VanDerWaalsContact O-CB 3.3Å; L119-S122 WeakPolarHBondContact O-CB 3.47Å; L119-S122 PolarHBondContact O-N 3.11Å; V120-S122 PolarHBondContact O-N 3.25Å; S122-E124 PolarHBondContact O-N 3.48Å; S122-A125 WeakPolarHBondContact O-CB 3.42Å; S122-A125 PolarHBondContact O-N 3.16Å; S122-A125 VanDerWaalsContact O-N 3.16Å
123	D	48.9	Very low	55.5	Low	127 Å²	127	93.5 Å²	93.5	68%	0.679	51%	0.51	S	S	*	.	H	α-helix	trans	-64.5	-37.6	178.3	-66.5	-16.6	0	0	0	112.5	L119 V120 A125 E126	L119-D123 PolarHBondContact O-N 2.83Å; V120-D123 PolarHBondContact O-N 3.23Å; D123-A125 PolarHBondContact O-N 3.24Å; D123-A125 VanDerWaalsContact O-N 3.12Å; D123-E126 PolarHBondContact O-N 2.89Å
124	E	49.3	Very low	52.9	Low	122 Å²	122	99.4 Å²	99.4	57%	0.57	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.7	176.1	-73.1	-160.5	144.6	0	0	113.5	V120 S122	V120-E124 PolarHBondContact O-N 3.29Å; S122-E124 PolarHBondContact O-N 3.48Å
125	A	45	Very low	50.2	Low	80 Å²	80	105.9 Å²	105.9	66%	0.661	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-21.1	-179.4	0	0	0	0	0	114.3	S122 D123	S122-A125 WeakPolarHBondContact O-CB 3.42Å; S122-A125 PolarHBondContact O-N 3.16Å; S122-A125 VanDerWaalsContact O-N 3.16Å; D123-A125 PolarHBondContact O-N 3.24Å; D123-A125 VanDerWaalsContact O-N 3.12Å
126	E	39.8	Very low	47.7	Very low	181 Å²	181	109.6 Å²	109.6	85%	0.846	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-24.6	179.7	-65.2	-157.7	149.6	0	0	113.8	D123 W128	D123-E126 PolarHBondContact O-N 2.89Å; E126-W128 VanDerWaalsContact C-N 3.26Å; E126-W128 PolarHBondContact O-N 3.49Å
127	E	36.9	Very low	45.3	Very low	112 Å²	112	107.6 Å²	107.6	52%	0.523	61%	0.612	S	S	.	*			trans	-82.2	34.4	-171.9	-148.1	-176.3	-175.7	0	0	115.3	G129 T132	E127-G129 PolarHBondContact O-N 2.92Å; E127-T132 WeakPolarHBondContact OE1-CB 3.3Å; E127-T132 PolarHBondContact OE1-OG1 3.34Å
128	W	34.5	Very low	43.9	Very low	261 Å²	261	112.6 Å²	112.6	99%	0.989	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	44.4	164.5	-150.3	57.3	0	0	0	112.4	E126	E126-W128 VanDerWaalsContact C-N 3.26Å; E126-W128 PolarHBondContact O-N 3.49Å
129	G	33	Very low	42.6	Very low	81 Å²	81	116.6 Å²	116.6	84%	0.835	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.5	9.7	-171.6	0	0	0	0	0	116.4	E127	E127-G129 PolarHBondContact O-N 2.92Å
130	G	31.4	Very low	40.8	Very low	43 Å²	43	115.5 Å²	115.5	44%	0.443	68%	0.678	S	S	.	*			trans	-143.2	147.2	-177.6	0	0	0	0	0	113.4
131	V	40.5	Very low	39.2	Very low	148 Å²	148	118 Å²	118	90%	0.897	69%	0.694	S	S	*	*			trans	-108.8	92.2	171.7	178.2	0	0	0	0	108.8
132	T	31.7	Very low	38.1	Very low	87 Å²	87	121.7 Å²	121.7	53%	0.534	72%	0.717	S	S	.	*			trans	-109.6	87	179.2	-47.5	0	0	0	0	110.8	E127 K134	E127-T132 WeakPolarHBondContact OE1-CB 3.3Å; E127-T132 PolarHBondContact OE1-OG1 3.34Å; T132-K134 PolarHBondContact O-N 2.83Å; T132-K134 VanDerWaalsContact O-N 3.16Å
133	M	40.6	Very low	37.4	Very low	186 Å²	186	125.6 Å²	125.6	92%	0.916	73%	0.729	S	S	*	*			trans	-72.7	105.3	-178.2	-171.3	173.7	-174.9	0	0	111.6
134	K	34.6	Very low	36.8	Very low	181 Å²	181	130 Å²	130	79%	0.787	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-100.4	136.2	170.4	-72.3	174.9	-179.2	164.6	0	110.5	T132 A136	T132-K134 PolarHBondContact O-N 2.83Å; T132-K134 VanDerWaalsContact O-N 3.16Å; K134-A136 PolarHBondContact O-N 3.25Å
135	C	33.3	Very low	36.8	Very low	138 Å²	138	126.9 Å²	126.9	93%	0.932	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-65.9	126.7	-179.1	-58.1	0	0	0	0	111.2
136	A	34.9	Very low	37.6	Very low	87 Å²	87	126 Å²	126	72%	0.719	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-99.5	134.2	173.8	0	0	0	0	0	110.7	K134	K134-A136 PolarHBondContact O-N 3.25Å
137	D	32.2	Very low	39	Very low	106 Å²	106	121.7 Å²	121.7	57%	0.567	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-71.9	127.2	166.1	-169.4	-51	0	0	0	108.7	S139 A140	D137-S139 PolarHBondContact O-N 3.43Å; D137-S139 PolarHBondContact OD1-N 3.15Å; D137-S139 PolarHBondContact OD1-OG 2.98Å; D137-A140 PolarHBondContact O-N 3.28Å
138	P	38	Very low	41.1	Very low	138 Å²	138	118.9 Å²	118.9	90%	0.896	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-10.2	-173.9	-24.4	34.6	0	0	0	115.7
139	S	40.5	Very low	43.8	Very low	101 Å²	101	107 Å²	107	71%	0.706	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-15.7	-175.6	63.7	0	0	0	0	114.9	D137	D137-S139 PolarHBondContact O-N 3.43Å; D137-S139 PolarHBondContact OD1-N 3.15Å; D137-S139 PolarHBondContact OD1-OG 2.98Å
140	A	35.8	Very low	46.6	Very low	68 Å²	68	104.1 Å²	104.1	56%	0.562	61%	0.611	S	S	*	*			trans	-101.8	105.4	-175.3	0	0	0	0	0	112	D137 P142	D137-A140 PolarHBondContact O-N 3.28Å; A140-P142 WeakPolarHBondContact O-CD 3.45Å
141	T	31.5	Very low	49.6	Very low	131 Å²	131	102.1 Å²	102.1	80%	0.804	59%	0.589	S	S	*	*			trans	-61.9	117.4	169.6	42.7	0	0	0	0	110.7	M143	T141-M143 PolarHBondContact O-N 2.68Å
142	P	34.7	Very low	52.3	Low	107 Å²	107	95 Å²	95	70%	0.695	55%	0.547	S	S	*	.			trans	-72.4	120.9	178.4	-15.4	31	0	0	0	110.4	A140 R144	A140-P142 WeakPolarHBondContact O-CD 3.45Å; P142-R144 PolarHBondContact O-N 3.39Å
143	M	37.4	Very low	55.5	Low	153 Å²	153	90.9 Å²	90.9	75%	0.754	52%	0.521	S	S	*	.			trans	-76.4	72.7	170	-70.2	-166.8	75.6	0	0	110.6	T141	T141-M143 PolarHBondContact O-N 2.68Å
144	R	38	Very low	58	Low	218 Å²	218	82 Å²	82	82%	0.823	48%	0.478	S	S	*	.			trans	-61.7	141.8	167.1	-86.7	-177.9	161.1	174.3	-5.5	110.6	P142	P142-R144 PolarHBondContact O-N 3.39Å
145	G	49.3	Very low	60.8	Low	58 Å²	58	73.5 Å²	73.5	60%	0.598	44%	0.44	S	S	*	.			trans	80.2	36.6	164.6	0	0	0	0	0	116.5
146	K	60.3	Low	63.3	Low	60 Å²	60	67 Å²	67	26%	0.261	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-66.8	140.9	155.6	-84.8	-165.7	170.7	-147	0	109.6	E96 D117	E96-K146 IonicContact OE1-NZ 2.91Å; E96-K146 IonicContact OE2-NZ 3.85Å; E96-K146 PolarHBondContact OE2-NZ 2.85Å; D117-K146 HydrophobicContact CB-CD 3.95Å; D117-K146 VanDerWaalsContact CG-NZ 3.31Å; D117-K146 WeakPolarHBondContact OD1-CD 3.46Å; D117-K146 IonicContact OD1-NZ 2.62Å; D117-K146 PolarHBondContact OD1-NZ 2.77Å; D117-K146 IonicContact OD2-NZ 4Å; D117-K146 PolarHBondContact OD2-NZ 2.86Å
147	K	69.4	Low	65.8	Low	91 Å²	91	63.4 Å²	63.4	40%	0.396	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-99.5	151.2	175.8	-67.6	178	-180	175.7	0	110.2	G35 D36 I38	G35-K147 PolarHBondContact O-NZ 3.42Å; D36-K147 VanDerWaalsContact CA-NZ 3.25Å; D36-K147 WeakPolarHBondContact O-CD 3.35Å; D36-K147 PolarHBondContact O-NZ 2.84Å; I38-K147 HydrophobicContact CG1-CB 4.05Å
148	P	81.5	Confident	68.5	Low	53 Å²	53	58.7 Å²	58.7	34%	0.344	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-63.8	150.9	174	28.6	-34.5	0	0	0	111	S118 S121	S118-P148 WeakPolarHBondContact OG-CA 3.38Å; S121-P148 WeakPolarHBondContact OG-CD 3.26Å
149	I	90.8	Very high	70.9	Confident	13 Å²	13	54.8 Å²	54.8	7%	0.067	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	138.7	171.5	60.5	154	0	0	0	110.3	I38 F114 S118 L152 I173	I38-I149 HydrophobicContact CG2-CG2 4.12Å; I38-I149 WeakPolarHBondContact O-CA 3.42Å; F114-I149 HydrophobicContact CB-CD1 3.7Å; F114-I149 HydrophobicContact CB-CG1 4.16Å; F114-I149 HydrophobicContact CD1-CG2 4.21Å; F114-I149 HydrophobicContact CD2-CD1 4.37Å; F114-I149 HydrophobicContact CG-CD1 4.02Å; S118-I149 PolarHBondContact OG-N 3.05Å; I149-L152 HydrophobicContact CD1-CD1 4.43Å; I149-I173 HydrophobicContact CD1-CD1 4.26Å; I149-I173 HydrophobicContact CD1-CG2 4.24Å; I149-I173 HydrophobicContact CG1-CD1 4.19Å
150	V	92.6	Very high	73.2	Confident	20 Å²	20	50.2 Å²	50.2	12%	0.121	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-9.2	-179.5	-55.3	0	0	0	0	114	I37 I38 I39 P174 L417 I438 L443	I37-V150 HydrophobicContact CG2-CB 4.22Å; I37-V150 HydrophobicContact CG2-CG1 3.82Å; I37-V150 HydrophobicContact CG2-CG2 3.35Å; I38-V150 PolarHBondContact O-N 3.49Å; I38-V150 VanDerWaalsContact O-N 3.09Å; I39-V150 HydrophobicContact CG1-CG2 4.45Å; V150-P174 WeakPolarHBondContact O-CD 3.46Å; V150-L417 HydrophobicContact CG2-CD1 4.46Å; V150-L417 HydrophobicContact CG2-CD2 4.46Å; V150-I438 HydrophobicContact CG1-CB 4.2Å; V150-I438 HydrophobicContact CG1-CD1 4.26Å; V150-L443 WeakPolarHBondContact O-CD2 3.29Å
151	G	94.8	Very high	76	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.5	159.4	-176.9	0	0	0	0	0	111.2	G40 P174	G40-G151 PolarHBondContact N-O 2.91Å; G151-P174 CarbonylContact C-O 3.56Å; G151-P174 VanDerWaalsContact CA-O 3.23Å; G151-P174 WeakPolarHBondContact CA-O 3.33Å
152	L	96.9	Very high	78.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.5	-179.7	-166.1	80.2	0	0	0	111.9	G40 L42 F114 I149 V164 L168 P174 Q175 I176	G40-L152 CarbonylContact O-C 3.57Å; G40-L152 WeakPolarHBondContact O-CA 3.39Å; L42-L152 HydrophobicContact CD1-CD2 3.9Å; L42-L152 HydrophobicContact CG-CD1 4.37Å; L42-L152 HydrophobicContact CG-CD2 4.11Å; F114-L152 HydrophobicContact CD2-CD1 3.8Å; F114-L152 HydrophobicContact CE2-CD1 3.44Å; F114-L152 VanDerWaalsContact CE2-CD1 3.44Å; F114-L152 HydrophobicContact CZ-CD1 4.14Å; I149-L152 HydrophobicContact CD1-CD1 4.43Å; L152-V164 HydrophobicContact CD2-CG1 3.58Å; L152-L168 HydrophobicContact CB-CD1 3.86Å; L152-L168 HydrophobicContact CD2-CD1 3.81Å; L152-L168 HydrophobicContact CG-CD1 4.44Å; L152-P174 PolarHBondContact N-O 3.12Å; L152-Q175 HydrophobicContact CB-CG 4.47Å; L152-Q175 CarbonylContact O-C 3.28Å; L152-Q175 WeakPolarHBondContact O-CA 3.35Å; L152-I176 PolarHBondContact O-N 3.35Å
153	I	97.9	Very high	81.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.7	170.3	-61.1	-179.8	0	0	0	110.7	I39 G40 A41 L42 M74 I176 Y178 A409 I410	I39-I153 HydrophobicContact CG2-CD1 3.89Å; I39-I153 HydrophobicContact CG2-CG1 4.04Å; G40-I153 PolarHBondContact O-N 2.89Å; A41-I153 WeakPolarHBondContact CA-O 3.41Å; A41-I153 HydrophobicContact CB-CB 4.35Å; L42-I153 PolarHBondContact N-O 2.95Å; M74-I153 HydrophobicContact CE-CD1 4.45Å; I153-I176 WeakPolarHBondContact CA-O 3.39Å; I153-Y178 HydrophobicContact CG2-CD1 4.08Å; I153-A409 HydrophobicContact CG2-CB 4.14Å; I153-I410 HydrophobicContact CD1-CB 4.18Å; I153-I410 HydrophobicContact CD1-CG1 3.53Å
154	G	94.2	Very high	84.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.			trans	87.8	-162.6	-173.7	0	0	0	0	0	113.6	Q175 I176	G154-Q175 WeakPolarHBondContact O-CG 3.45Å; G154-Q175 PolarHBondContact O-NE2 3.4Å; G154-I176 PolarHBondContact N-O 2.85Å
155	P	93.8	Very high	87.2	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.006	13%	0.134	C	C	.	.			cis	-74.9	178	-3.8	32.2	-34.1	0	0	0	113.3	L42 S157 V160 A161 V164	L42-P155 HydrophobicContact CB-CB 3.96Å; L42-P155 WeakPolarHBondContact O-CA 3.4Å; P155-S157 PolarHBondContact O-N 3.42Å; P155-V160 HydrophobicContact CB-CG1 4.19Å; P155-V160 HydrophobicContact CG-CB 4.04Å; P155-V160 HydrophobicContact CG-CG1 3.67Å; P155-A161 HydrophobicContact CG-CB 4.18Å; P155-V164 HydrophobicContact CG-CG2 4.28Å
156	G	86.1	Confident	89.3	Confident	2 Å²	2	22.8 Å²	22.8	2%	0.021	12%	0.122	C	C	.	.	S	Bend	trans	-83.5	0.9	-174.1	0	0	0	0	0	117.1	W102 Y178 S179	W102-G156 VanDerWaalsContact CH2-O 3.26Å; W102-G156 WeakPolarHBondContact CH2-O 3.4Å; G156-Y178 WeakPolarHBondContact CA-OH 3.44Å; G156-Y178 PolarHBondContact N-OH 2.91Å; G156-S179 WeakPolarHBondContact O-CB 3.1Å
157	S	86.1	Confident	90.9	Very high	11 Å²	11	21.5 Å²	21.5	8%	0.077	12%	0.117	C	C	.	.	S	Bend	trans	-124.7	133.4	-178.2	170.8	0	0	0	0	111	P155 S159 V160 A161	P155-S157 PolarHBondContact O-N 3.42Å; S157-S159 PolarHBondContact O-N 3.34Å; S157-S159 PolarHBondContact OG-OG 3.15Å; S157-V160 PolarHBondContact O-N 2.87Å; S157-A161 WeakPolarHBondContact O-CB 3.48Å; S157-A161 PolarHBondContact O-N 3.31Å
158	S	89.3	Confident	92.1	Very high	7 Å²	7	17.1 Å²	17.1	5%	0.049	10%	0.099	C	C	.	.	H	α-helix	trans	-57.4	-46.7	-177.3	-55.4	0	0	0	0	113.4	V160 A161 I162 A180 T181 S182	S158-V160 VanDerWaalsContact C-N 3.31Å; S158-V160 PolarHBondContact O-N 2.98Å; S158-A161 PolarHBondContact O-N 3.18Å; S158-I162 WeakPolarHBondContact O-CG1 3.33Å; S158-I162 PolarHBondContact O-N 3.32Å; S158-A180 WeakPolarHBondContact OG-CA 3.4Å; S158-T181 PolarHBondContact OG-N 3.19Å; S158-S182 PolarHBondContact OG-N 2.86Å
159	S	87.2	Confident	92.7	Very high	57 Å²	57	16.8 Å²	16.8	40%	0.399	9%	0.092	S	C	.	.	H	α-helix	trans	-68.2	-31.3	-178.9	56.5	0	0	0	0	112.7	S157 Q163	S157-S159 PolarHBondContact O-N 3.34Å; S157-S159 PolarHBondContact OG-OG 3.15Å; S159-Q163 WeakPolarHBondContact O-CG 3.5Å
160	V	90.4	Very high	92.8	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.024	12%	0.12	C	C	.	.	H	α-helix	trans	-74.7	-41.4	173.8	-173.4	0	0	0	0	110.3	A107 P155 S157 S158 I162 Q163 V164	A107-V160 HydrophobicContact CB-CG1 3.3Å; P155-V160 HydrophobicContact CB-CG1 4.19Å; P155-V160 HydrophobicContact CG-CB 4.04Å; P155-V160 HydrophobicContact CG-CG1 3.67Å; S157-V160 PolarHBondContact O-N 2.87Å; S158-V160 VanDerWaalsContact C-N 3.31Å; S158-V160 PolarHBondContact O-N 2.98Å; V160-I162 PolarHBondContact O-N 3.06Å; V160-Q163 PolarHBondContact O-N 3.4Å; V160-V164 WeakPolarHBondContact O-CG2 3.44Å; V160-V164 PolarHBondContact O-N 3.29Å; V160-V164 VanDerWaalsContact O-N 3.1Å
161	A	94	Very high	92.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-40.7	179.3	0	0	0	0	0	112.6	P155 S157 S158 Q163 V164 Q165 A180 F194	P155-A161 HydrophobicContact CG-CB 4.18Å; S157-A161 WeakPolarHBondContact O-CB 3.48Å; S157-A161 PolarHBondContact O-N 3.31Å; S158-A161 PolarHBondContact O-N 3.18Å; A161-Q163 VanDerWaalsContact C-N 3.32Å; A161-Q163 PolarHBondContact O-N 3.2Å; A161-V164 PolarHBondContact O-N 3.36Å; A161-Q165 VanDerWaalsContact O-CB 3.28Å; A161-Q165 WeakPolarHBondContact O-CB 3.24Å; A161-Q165 PolarHBondContact O-N 3.25Å; A161-A180 HydrophobicContact CB-CB 3.73Å; A161-F194 HydrophobicContact CB-CE2 4.29Å
162	I	92.9	Very high	92.6	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-55.3	-46.1	173.3	-71.4	165.3	0	0	0	111.4	S158 V160 Q165 N166 L185 Y191 N228	S158-I162 WeakPolarHBondContact O-CG1 3.33Å; S158-I162 PolarHBondContact O-N 3.32Å; V160-I162 PolarHBondContact O-N 3.06Å; I162-Q165 PolarHBondContact O-N 2.99Å; I162-N166 VanDerWaalsContact O-CG 3.25Å; I162-N166 PolarHBondContact O-N 2.71Å; I162-N166 VanDerWaalsContact O-N 3.09Å; I162-N166 PolarHBondContact O-ND2 3.45Å; I162-L185 HydrophobicContact CD1-CG 4.46Å; I162-L185 HydrophobicContact CG1-CD1 4.22Å; I162-L185 HydrophobicContact CG1-CD2 3.61Å; I162-L185 HydrophobicContact CG1-CG 3.87Å; I162-Y191 HydrophobicContact CG2-CE1 4.15Å; I162-Y191 WeakPolarHBondContact CG2-OH 3.37Å; I162-N228 HydrophobicContact CD1-CB 4.2Å
163	Q	92.6	Very high	92.6	Very high	88 Å²	88	29.1 Å²	29.1	41%	0.411	15%	0.153	S	C	.	.	H	α-helix	trans	-70.3	-34.3	-178.2	-60.6	-57.3	-40	0	0	112.8	S159 V160 A161	S159-Q163 WeakPolarHBondContact O-CG 3.5Å; V160-Q163 PolarHBondContact O-N 3.4Å; A161-Q163 VanDerWaalsContact C-N 3.32Å; A161-Q163 PolarHBondContact O-N 3.2Å
164	V	95.3	Very high	92.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.1	-46.8	174	171.9	0	0	0	0	110.8	L42 A107 L152 P155 V160 A161 N166 L167 L168	L42-V164 HydrophobicContact CD1-CG1 4.28Å; L42-V164 HydrophobicContact CD1-CG2 3.9Å; A107-V164 HydrophobicContact CB-CG2 4.06Å; L152-V164 HydrophobicContact CD2-CG1 3.58Å; P155-V164 HydrophobicContact CG-CG2 4.28Å; V160-V164 WeakPolarHBondContact O-CG2 3.44Å; V160-V164 PolarHBondContact O-N 3.29Å; V160-V164 VanDerWaalsContact O-N 3.1Å; A161-V164 PolarHBondContact O-N 3.36Å; V164-N166 VanDerWaalsContact C-N 3.32Å; V164-N166 PolarHBondContact O-N 3.37Å; V164-L167 PolarHBondContact O-N 2.89Å; V164-L168 HydrophobicContact CG1-CD1 3.7Å; V164-L168 HydrophobicContact CG1-CG 3.99Å; V164-L168 WeakPolarHBondContact O-CG 3.3Å; V164-L168 PolarHBondContact O-N 2.93Å
165	Q	95.2	Very high	92.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.5	-42.7	178.8	174.3	57.6	33.1	0	0	112.2	A161 I162 L167 L168 Q169 Y191 F194	A161-Q165 VanDerWaalsContact O-CB 3.28Å; A161-Q165 WeakPolarHBondContact O-CB 3.24Å; A161-Q165 PolarHBondContact O-N 3.25Å; I162-Q165 PolarHBondContact O-N 2.99Å; Q165-L167 PolarHBondContact O-N 3.01Å; Q165-L167 VanDerWaalsContact O-N 3.16Å; Q165-L168 PolarHBondContact O-N 3.17Å; Q165-Q169 VanDerWaalsContact O-CG 3.23Å; Q165-Q169 WeakPolarHBondContact O-CG 3.38Å; Q165-Q169 PolarHBondContact O-N 3.38Å; Q165-Q169 VanDerWaalsContact O-N 3.08Å; Q165-Y191 HydrophobicContact CB-CD1 4.47Å; Q165-Y191 HydrophobicContact CG-CD1 3.66Å; Q165-Y191 HydrophobicContact CG-CG 4.28Å; Q165-F194 HydrophobicContact CG-CB 4.06Å
166	N	94.4	Very high	92.8	Very high	63 Å²	63	29.2 Å²	29.2	34%	0.337	15%	0.153	S	C	.	.	H	α-helix	trans	-56.5	-28.8	176.8	-77.4	-24.3	0	0	0	113.4	I162 V164	I162-N166 VanDerWaalsContact O-CG 3.25Å; I162-N166 PolarHBondContact O-N 2.71Å; I162-N166 VanDerWaalsContact O-N 3.09Å; I162-N166 PolarHBondContact O-ND2 3.45Å; V164-N166 VanDerWaalsContact C-N 3.32Å; V164-N166 PolarHBondContact O-N 3.37Å
167	L	94.4	Very high	93.3	Very high	33 Å²	33	29.1 Å²	29.1	17%	0.173	15%	0.152	C	C	.	.	H	α-helix	trans	-88.1	-48.6	175.4	179.1	62.6	0	0	0	111.7	L108 I112 I115 V164 Q165 Q169 L170 F171	L108-L167 HydrophobicContact CD1-CB 4.08Å; L108-L167 HydrophobicContact CD1-CD2 3.72Å; I112-L167 HydrophobicContact CG1-CD2 3.73Å; I115-L167 HydrophobicContact CD1-CD1 4.11Å; I115-L167 HydrophobicContact CD1-CD2 3.76Å; I115-L167 HydrophobicContact CD1-CG 3.56Å; V164-L167 PolarHBondContact O-N 2.89Å; Q165-L167 PolarHBondContact O-N 3.01Å; Q165-L167 VanDerWaalsContact O-N 3.16Å; L167-Q169 VanDerWaalsContact C-N 3.28Å; L167-Q169 PolarHBondContact O-N 3.19Å; L167-L170 WeakPolarHBondContact O-CB 3.35Å; L167-L170 PolarHBondContact O-N 3.38Å; L167-F171 HydrophobicContact CD1-CE2 4.04Å; L167-F171 WeakPolarHBondContact O-CD2 3.49Å
168	L	93.8	Very high	93.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.1	-36.5	-176.2	-69.3	-179.1	0	0	0	113.4	I115 L152 V164 Q165 L170 F171 N172 I173 Q175	I115-L168 HydrophobicContact CD1-CD2 4.39Å; L152-L168 HydrophobicContact CB-CD1 3.86Å; L152-L168 HydrophobicContact CD2-CD1 3.81Å; L152-L168 HydrophobicContact CG-CD1 4.44Å; V164-L168 HydrophobicContact CG1-CD1 3.7Å; V164-L168 HydrophobicContact CG1-CG 3.99Å; V164-L168 WeakPolarHBondContact O-CG 3.3Å; V164-L168 PolarHBondContact O-N 2.93Å; Q165-L168 PolarHBondContact O-N 3.17Å; L168-L170 PolarHBondContact O-N 3.26Å; L168-F171 CarbonylContact O-C 3.5Å; L168-F171 PolarHBondContact O-N 3.48Å; L168-N172 PolarHBondContact O-N 2.71Å; L168-I173 HydrophobicContact CB-CB 4.25Å; L168-I173 HydrophobicContact CD2-CB 4.11Å; L168-I173 HydrophobicContact CD2-CD1 4.09Å; L168-I173 HydrophobicContact CD2-CG2 4.1Å; L168-I173 PolarHBondContact O-N 3.16Å; L168-I173 VanDerWaalsContact O-N 3.16Å; L168-Q175 HydrophobicContact CD1-CB 3.86Å; L168-Q175 HydrophobicContact CD1-CG 4.1Å
169	Q	93.3	Very high	93.6	Very high	45 Å²	45	28.8 Å²	28.8	21%	0.21	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-66.8	-20.1	-178.9	66.3	-165.1	14.1	0	0	114.6	Q165 L167 F171 N172 L190 Y193	Q165-Q169 VanDerWaalsContact O-CG 3.23Å; Q165-Q169 WeakPolarHBondContact O-CG 3.38Å; Q165-Q169 PolarHBondContact O-N 3.38Å; Q165-Q169 VanDerWaalsContact O-N 3.08Å; L167-Q169 VanDerWaalsContact C-N 3.28Å; L167-Q169 PolarHBondContact O-N 3.19Å; Q169-F171 PolarHBondContact O-N 3.27Å; Q169-N172 PolarHBondContact O-N 2.91Å; Q169-L190 PolarHBondContact NE2-O 2.94Å; Q169-L190 PolarHBondContact OE1-O 3.48Å; Q169-Y193 HydrophobicContact CB-CD2 3.78Å
170	L	93	Very high	93.8	Very high	125 Å²	125	26.1 Å²	26.1	65%	0.654	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	-71	-20.8	172.9	-55.5	177.6	0	0	0	112.2	L167 L168	L167-L170 WeakPolarHBondContact O-CB 3.35Å; L167-L170 PolarHBondContact O-N 3.38Å; L168-L170 PolarHBondContact O-N 3.26Å
171	F	91.8	Very high	93.8	Very high	86 Å²	86	26.1 Å²	26.1	38%	0.377	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-112.5	12.6	-179.7	-59.2	-83.1	0	0	0	112.3	I115 L119 L167 L168 Q169 I173	I115-F171 HydrophobicContact CD1-CD2 3.62Å; I115-F171 HydrophobicContact CD1-CE2 3.88Å; I115-F171 HydrophobicContact CD1-CG 4.41Å; I115-F171 HydrophobicContact CG1-CD2 4.08Å; I115-F171 HydrophobicContact CG1-CE2 4.48Å; I115-F171 HydrophobicContact CG1-CG 4.4Å; I115-F171 HydrophobicContact CG2-CD1 3.94Å; I115-F171 HydrophobicContact CG2-CD2 3.92Å; I115-F171 HydrophobicContact CG2-CE1 3.73Å; I115-F171 HydrophobicContact CG2-CE2 3.73Å; I115-F171 HydrophobicContact CG2-CG 4.04Å; I115-F171 HydrophobicContact CG2-CZ 3.63Å; L119-F171 HydrophobicContact CD2-CE1 4.22Å; L167-F171 HydrophobicContact CD1-CE2 4.04Å; L167-F171 WeakPolarHBondContact O-CD2 3.49Å; L168-F171 CarbonylContact O-C 3.5Å; L168-F171 PolarHBondContact O-N 3.48Å; Q169-F171 PolarHBondContact O-N 3.27Å; F171-I173 HydrophobicContact CB-CD1 3.98Å; F171-I173 HydrophobicContact CB-CG1 4.05Å; F171-I173 PolarHBondContact O-N 3.41Å
172	N	93.1	Very high	93.7	Very high	70 Å²	70	26.1 Å²	26.1	37%	0.374	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	19.8	-176.5	-58.6	-53.2	0	0	0	115.6	L168 Q169 P174 Y193 G440	L168-N172 PolarHBondContact O-N 2.71Å; Q169-N172 PolarHBondContact O-N 2.91Å; N172-P174 WeakPolarHBondContact O-CD 3.17Å; N172-Y193 HydrophobicContact CB-CE1 4.16Å; N172-Y193 HydrophobicContact CB-CE2 4.25Å; N172-Y193 WeakPolarHBondContact O-CE1 3.16Å; N172-Y193 WeakPolarHBondContact OD1-CE2 3.35Å; N172-Y193 VanDerWaalsContact OD1-CZ 3.28Å; N172-Y193 PolarHBondContact OD1-OH 3.38Å; N172-G440 CarbonylContact O-C 3.57Å; N172-G440 WeakPolarHBondContact O-CA 3.39Å
173	I	95.1	Very high	93.6	Very high	12 Å²	12	29 Å²	29	6%	0.062	15%	0.146	C	C	.	.			trans	-80.2	119	-175.6	-58.9	171.3	0	0	0	109.9	I115 I149 L168 F171	I115-I173 HydrophobicContact CG1-CD1 4.1Å; I149-I173 HydrophobicContact CD1-CD1 4.26Å; I149-I173 HydrophobicContact CD1-CG2 4.24Å; I149-I173 HydrophobicContact CG1-CD1 4.19Å; L168-I173 HydrophobicContact CB-CB 4.25Å; L168-I173 HydrophobicContact CD2-CB 4.11Å; L168-I173 HydrophobicContact CD2-CD1 4.09Å; L168-I173 HydrophobicContact CD2-CG2 4.1Å; L168-I173 PolarHBondContact O-N 3.16Å; L168-I173 VanDerWaalsContact O-N 3.16Å; F171-I173 HydrophobicContact CB-CD1 3.98Å; F171-I173 HydrophobicContact CB-CG1 4.05Å; F171-I173 PolarHBondContact O-N 3.41Å
174	P	96.7	Very high	93.4	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.138	C	C	.	.			trans	-70.9	138.9	176.4	28.2	-33.8	0	0	0	112.4	V150 G151 L152 N172 L443 L447	V150-P174 WeakPolarHBondContact O-CD 3.46Å; G151-P174 CarbonylContact C-O 3.56Å; G151-P174 VanDerWaalsContact CA-O 3.23Å; G151-P174 WeakPolarHBondContact CA-O 3.33Å; L152-P174 PolarHBondContact N-O 3.12Å; N172-P174 WeakPolarHBondContact O-CD 3.17Å; P174-L443 HydrophobicContact CG-CD2 3.95Å; P174-L443 HydrophobicContact CG-CG 4.27Å; P174-L447 HydrophobicContact CB-CD1 3.86Å; P174-L447 HydrophobicContact CG-CD1 4.05Å
175	Q	96.8	Very high	93.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.3	-179.9	-174.5	-176.5	-18	0	0	110.6	L152 G154 L168 Y193 F194 M195	L152-Q175 HydrophobicContact CB-CG 4.47Å; L152-Q175 CarbonylContact O-C 3.28Å; L152-Q175 WeakPolarHBondContact O-CA 3.35Å; G154-Q175 WeakPolarHBondContact O-CG 3.45Å; G154-Q175 PolarHBondContact O-NE2 3.4Å; L168-Q175 HydrophobicContact CD1-CB 3.86Å; L168-Q175 HydrophobicContact CD1-CG 4.1Å; Q175-Y193 PolarHBondContact N-O 2.94Å; Q175-F194 HydrophobicContact CG-CD2 4.44Å; Q175-M195 PolarHBondContact O-N 3.01Å
176	I	97.7	Very high	93.2	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.8	174.3	-49.5	-178.4	0	0	0	109.9	L152 I153 G154 M195 V197 A409 M413 L447	L152-I176 PolarHBondContact O-N 3.35Å; I153-I176 WeakPolarHBondContact CA-O 3.39Å; G154-I176 PolarHBondContact N-O 2.85Å; I176-M195 CarbonylContact C-O 3.51Å; I176-M195 WeakPolarHBondContact CA-O 3.45Å; I176-V197 HydrophobicContact CG2-CG1 4.19Å; I176-A409 HydrophobicContact CG2-CB 3.78Å; I176-M413 HydrophobicContact CD1-CB 4.2Å; I176-M413 HydrophobicContact CD1-CE 3.7Å; I176-M413 HydrophobicContact CD1-SD 4.28Å; I176-M413 HydrophobicContact CG1-CE 3.9Å; I176-L447 HydrophobicContact CD1-CD1 4.46Å; I176-L447 HydrophobicContact CD1-CD2 4Å
177	A	96.3	Very high	93.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	147.5	177.3	0	0	0	0	0	113	A180 F194 M195 R196 V197	A177-A180 HydrophobicContact CB-CB 3.77Å; A177-F194 HydrophobicContact CB-CE2 3.63Å; A177-F194 HydrophobicContact CB-CZ 3.6Å; A177-M195 PolarHBondContact N-O 3.03Å; A177-R196 HydrophobicContact CB-CB 4.26Å; A177-R196 VanDerWaalsContact O-CA 3.29Å; A177-R196 WeakPolarHBondContact O-CA 3.39Å; A177-R196 WeakPolarHBondContact O-CB 3.4Å; A177-V197 PolarHBondContact O-N 3.43Å
178	Y	92.7	Very high	93.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-111.7	-3.3	-179.7	60.2	-100.1	0	0	0	113.1	F43 I153 G156 V198 V406	F43-Y178 AromaticContact CD1-CE1 3.86Å; F43-Y178 HydrophobicContact CD1-CE1 3.86Å; F43-Y178 AromaticContact CD1-CZ 3.98Å; F43-Y178 HydrophobicContact CE1-CD1 4.39Å; F43-Y178 AromaticContact CE1-CE1 3.72Å; F43-Y178 HydrophobicContact CE1-CE1 3.72Å; I153-Y178 HydrophobicContact CG2-CD1 4.08Å; G156-Y178 WeakPolarHBondContact CA-OH 3.44Å; G156-Y178 PolarHBondContact N-OH 2.91Å; Y178-V198 WeakPolarHBondContact O-CG1 3.5Å; Y178-V406 HydrophobicContact CD1-CG2 4.24Å; Y178-V406 HydrophobicContact CD2-CG2 3.76Å; Y178-V406 HydrophobicContact CE2-CG2 4.26Å; Y178-V406 HydrophobicContact CG-CG2 3.79Å
179	S	89.6	Confident	93	Very high	12 Å²	12	33.7 Å²	33.7	8%	0.084	18%	0.181	C	C	.	.	S	Bend	trans	-157	6.3	-179.8	-70.1	0	0	0	0	115.2	G156 T181 K402	G156-S179 WeakPolarHBondContact O-CB 3.1Å; S179-T181 PolarHBondContact O-N 3.46Å; S179-K402 VanDerWaalsContact OG-CD 3.3Å; S179-K402 WeakPolarHBondContact OG-CD 3.41Å
180	A	90.8	Very high	93.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.			trans	-86.8	88.1	175.9	0	0	0	0	0	109.9	S158 A161 A177 L185 F194 R196	S158-A180 WeakPolarHBondContact OG-CA 3.4Å; A161-A180 HydrophobicContact CB-CB 3.73Å; A177-A180 HydrophobicContact CB-CB 3.77Å; A180-L185 HydrophobicContact CB-CD1 3.95Å; A180-F194 HydrophobicContact CB-CE2 4.4Å; A180-F194 HydrophobicContact CB-CZ 4.05Å; A180-R196 WeakPolarHBondContact O-CD 3.32Å; A180-R196 PolarHBondContact O-NH1 3.01Å
181	T	90.8	Very high	93.2	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.031	17%	0.171	C	C	.	.			trans	-92.9	-7.9	-168.7	54.7	0	0	0	0	115	S158 S179 M183 R196 V198 S200 D201	S158-T181 PolarHBondContact OG-N 3.19Å; S179-T181 PolarHBondContact O-N 3.46Å; T181-M183 PolarHBondContact O-N 3.49Å; T181-R196 PolarHBondContact O-NH1 3.31Å; T181-R196 VanDerWaalsContact O-NH1 3.15Å; T181-V198 HydrophobicContact CG2-CB 4.42Å; T181-V198 HydrophobicContact CG2-CG2 3.94Å; T181-S200 CarbonylContact O-C 3.57Å; T181-S200 WeakPolarHBondContact O-CA 3.38Å; T181-D201 VanDerWaalsContact C-CG 3.48Å; T181-D201 WeakPolarHBondContact CB-OD1 3.47Å; T181-D201 VanDerWaalsContact O-CG 3.28Å; T181-D201 PolarHBondContact O-N 3.32Å; T181-D201 VanDerWaalsContact OG1-CG 3.25Å; T181-D201 PolarHBondContact OG1-OD1 3.25Å; T181-D201 PolarHBondContact OG1-OD2 2.97Å
182	S	90.6	Very high	93.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.			trans	-55.6	133.1	-178.2	175.9	0	0	0	0	112.5	S158 D184 L185 R196 D201 N228	S158-S182 PolarHBondContact OG-N 2.86Å; S182-D184 PolarHBondContact O-N 3.37Å; S182-L185 PolarHBondContact O-N 3.15Å; S182-R196 PolarHBondContact O-NH1 3.46Å; S182-D201 WeakPolarHBondContact CA-OD2 3.4Å; S182-D201 PolarHBondContact N-OD2 3.35Å; S182-D201 VanDerWaalsContact N-OD2 3.12Å; S182-N228 WeakPolarHBondContact CB-O 3.04Å; S182-N228 PolarHBondContact OG-O 3.41Å
183	M	91.1	Very high	93.5	Very high	69 Å²	69	29.9 Å²	29.9	34%	0.34	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-65.7	-20.8	-177.3	66.3	-173.4	-68.4	0	0	114.1	T181 L185 S186 S200 A202 A236	T181-M183 PolarHBondContact O-N 3.49Å; M183-L185 PolarHBondContact O-N 3.25Å; M183-S186 VanDerWaalsContact O-CB 3.27Å; M183-S186 WeakPolarHBondContact O-CB 3.34Å; M183-S186 PolarHBondContact O-N 3.43Å; M183-S186 PolarHBondContact O-OG 3.44Å; M183-S200 WeakPolarHBondContact CA-OG 3.49Å; M183-S200 WeakPolarHBondContact CB-OG 3.38Å; M183-A202 HydrophobicContact CB-CB 4.31Å; M183-A202 HydrophobicContact CE-CB 4.31Å; M183-A202 HydrophobicContact SD-CB 4.4Å; M183-A236 HydrophobicContact SD-CB 3.85Å
184	D	89.9	Confident	93.6	Very high	46 Å²	46	29.3 Å²	29.3	25%	0.246	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-56.3	-33.7	176.7	-54.3	8.4	0	0	0	111.6	S182 S186 D187 Y191 N228 S232	S182-D184 PolarHBondContact O-N 3.37Å; D184-S186 PolarHBondContact O-N 2.84Å; D184-D187 PolarHBondContact O-N 2.94Å; D184-Y191 WeakPolarHBondContact O-CD2 3.4Å; D184-Y191 WeakPolarHBondContact O-CE2 3.33Å; D184-N228 WeakPolarHBondContact OD2-CB 3.06Å; D184-N228 PolarHBondContact OD2-ND2 2.9Å; D184-S232 WeakPolarHBondContact OD1-CB 3.43Å; D184-S232 PolarHBondContact OD1-OG 2.95Å; D184-S232 PolarHBondContact OD2-OG 3.33Å
185	L	92.1	Very high	93.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-74	-10.5	-179.6	-73	161.1	0	0	0	113.9	I162 A180 S182 M183 D187 Y191 F194	I162-L185 HydrophobicContact CD1-CG 4.46Å; I162-L185 HydrophobicContact CG1-CD1 4.22Å; I162-L185 HydrophobicContact CG1-CD2 3.61Å; I162-L185 HydrophobicContact CG1-CG 3.87Å; A180-L185 HydrophobicContact CB-CD1 3.95Å; S182-L185 PolarHBondContact O-N 3.15Å; M183-L185 PolarHBondContact O-N 3.25Å; L185-D187 VanDerWaalsContact C-N 3.28Å; L185-Y191 HydrophobicContact CD2-CD2 4.29Å; L185-Y191 HydrophobicContact CD2-CG 4.3Å; L185-F194 HydrophobicContact CB-CD1 3.83Å; L185-F194 HydrophobicContact CB-CE1 3.62Å; L185-F194 HydrophobicContact CB-CZ 4.12Å; L185-F194 HydrophobicContact CD1-CE1 4.15Å; L185-F194 HydrophobicContact CD1-CE2 4.14Å; L185-F194 HydrophobicContact CD1-CZ 3.77Å; L185-F194 HydrophobicContact CD2-CD1 4.16Å; L185-F194 HydrophobicContact CD2-CD2 3.96Å; L185-F194 HydrophobicContact CD2-CE1 4.28Å; L185-F194 HydrophobicContact CD2-CE2 4.05Å; L185-F194 HydrophobicContact CD2-CG 4.01Å; L185-F194 HydrophobicContact CD2-CZ 4.21Å; L185-F194 HydrophobicContact CG-CD1 4.49Å; L185-F194 HydrophobicContact CG-CE1 4.23Å; L185-F194 HydrophobicContact CG-CZ 4.26Å
186	S	92.7	Very high	93.5	Very high	20 Å²	20	29.3 Å²	29.3	14%	0.14	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-71.9	-21.8	172.5	-55.6	0	0	0	0	111.9	M183 D184 K188 R196 D467	M183-S186 VanDerWaalsContact O-CB 3.27Å; M183-S186 WeakPolarHBondContact O-CB 3.34Å; M183-S186 PolarHBondContact O-N 3.43Å; M183-S186 PolarHBondContact O-OG 3.44Å; D184-S186 PolarHBondContact O-N 2.84Å; S186-K188 PolarHBondContact O-N 3.19Å; S186-R196 PolarHBondContact OG-NH2 3.24Å; S186-D467 PolarHBondContact OG-OD2 2.98Å
187	D	93.9	Very high	93.3	Very high	68 Å²	68	29.3 Å²	29.3	36%	0.364	16%	0.156	S	C	.	.			trans	-71.1	97.3	-179.4	-173.3	-10.3	0	0	0	111.9	D184 L185 S189 L190 Y191	D184-D187 PolarHBondContact O-N 2.94Å; L185-D187 VanDerWaalsContact C-N 3.28Å; D187-S189 PolarHBondContact O-N 2.68Å; D187-S189 WeakPolarHBondContact OD1-CA 3.44Å; D187-S189 VanDerWaalsContact OD1-CB 3.25Å; D187-S189 WeakPolarHBondContact OD1-CB 3.49Å; D187-S189 PolarHBondContact OD1-N 3.35Å; D187-S189 PolarHBondContact OD1-OG 3.29Å; D187-S189 PolarHBondContact OD2-OG 3.31Å; D187-L190 PolarHBondContact O-N 2.95Å; D187-Y191 PolarHBondContact O-N 2.96Å
188	K	92.8	Very high	93.1	Very high	45 Å²	45	29.3 Å²	29.3	20%	0.196	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-9.2	177.9	-73.1	-74.5	164.6	-66.8	0	114.7	S186 F194 N465	S186-K188 PolarHBondContact O-N 3.19Å; K188-F194 WeakPolarHBondContact CE-O 3.4Å; K188-F194 PolarHBondContact NZ-O 3.39Å; K188-N465 WeakPolarHBondContact CE-O 3.44Å; K188-N465 PolarHBondContact NZ-O 3.31Å
189	S	93.2	Very high	93.1	Very high	103 Å²	103	29.5 Å²	29.5	72%	0.72	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-29.2	170.5	78.5	0	0	0	0	112.2	D187	D187-S189 PolarHBondContact O-N 2.68Å; D187-S189 WeakPolarHBondContact OD1-CA 3.44Å; D187-S189 VanDerWaalsContact OD1-CB 3.25Å; D187-S189 WeakPolarHBondContact OD1-CB 3.49Å; D187-S189 PolarHBondContact OD1-N 3.35Å; D187-S189 PolarHBondContact OD1-OG 3.29Å; D187-S189 PolarHBondContact OD2-OG 3.31Å
190	L	93.6	Very high	93.2	Very high	101 Å²	101	29.2 Å²	29.2	53%	0.529	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-42.8	175.7	-65.5	175.3	0	0	0	112.6	Q169 D187	Q169-L190 PolarHBondContact NE2-O 2.94Å; Q169-L190 PolarHBondContact OE1-O 3.48Å; D187-L190 PolarHBondContact O-N 2.95Å
191	Y	95.3	Very high	93.2	Very high	29 Å²	29	29.2 Å²	29.2	11%	0.114	16%	0.155	C	C	.	.			trans	-117.2	54.2	-169.9	-55.1	-61.1	0	0	0	112.2	I162 Q165 D184 L185 D187 Y193 F194	I162-Y191 HydrophobicContact CG2-CE1 4.15Å; I162-Y191 WeakPolarHBondContact CG2-OH 3.37Å; Q165-Y191 HydrophobicContact CB-CD1 4.47Å; Q165-Y191 HydrophobicContact CG-CD1 3.66Å; Q165-Y191 HydrophobicContact CG-CG 4.28Å; D184-Y191 WeakPolarHBondContact O-CD2 3.4Å; D184-Y191 WeakPolarHBondContact O-CE2 3.33Å; L185-Y191 HydrophobicContact CD2-CD2 4.29Å; L185-Y191 HydrophobicContact CD2-CG 4.3Å; D187-Y191 PolarHBondContact O-N 2.96Å; Y191-Y193 VanDerWaalsContact C-N 3.3Å; Y191-Y193 PolarHBondContact O-N 3.45Å; Y191-F194 PolarHBondContact O-N 3.03Å; Y191-F194 VanDerWaalsContact O-N 3.17Å
192	K	95.6	Very high	93.2	Very high	105 Å²	105	30.3 Å²	30.3	46%	0.457	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-45	-174.2	-173.5	-166.3	172.3	-158.6	0	113.7	L444	K192-L444 HydrophobicContact CG-CD2 4.13Å
193	Y	96.5	Very high	93.2	Very high	10 Å²	10	33 Å²	33	4%	0.039	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	3.5	-172.8	-71.2	-76.4	0	0	0	114.7	Q169 N172 Q175 Y191 L444	Q169-Y193 HydrophobicContact CB-CD2 3.78Å; N172-Y193 HydrophobicContact CB-CE1 4.16Å; N172-Y193 HydrophobicContact CB-CE2 4.25Å; N172-Y193 WeakPolarHBondContact O-CE1 3.16Å; N172-Y193 WeakPolarHBondContact OD1-CE2 3.35Å; N172-Y193 VanDerWaalsContact OD1-CZ 3.28Å; N172-Y193 PolarHBondContact OD1-OH 3.38Å; Q175-Y193 PolarHBondContact N-O 2.94Å; Y191-Y193 VanDerWaalsContact C-N 3.3Å; Y191-Y193 PolarHBondContact O-N 3.45Å; Y193-L444 HydrophobicContact CD1-CB 4.26Å; Y193-L444 HydrophobicContact CD1-CD2 3.76Å; Y193-L444 HydrophobicContact CD1-CG 4.41Å; Y193-L444 HydrophobicContact CE1-CB 4.27Å; Y193-L444 HydrophobicContact CE1-CD2 3.89Å; Y193-L444 HydrophobicContact CG-CD2 4.48Å
194	F	97.1	Very high	93.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.3	-180	-179.1	-90.8	0	0	0	112.3	A161 Q165 Q175 A177 A180 L185 K188 Y191 R196	A161-F194 HydrophobicContact CB-CE2 4.29Å; Q165-F194 HydrophobicContact CG-CB 4.06Å; Q175-F194 HydrophobicContact CG-CD2 4.44Å; A177-F194 HydrophobicContact CB-CE2 3.63Å; A177-F194 HydrophobicContact CB-CZ 3.6Å; A180-F194 HydrophobicContact CB-CE2 4.4Å; A180-F194 HydrophobicContact CB-CZ 4.05Å; L185-F194 HydrophobicContact CB-CD1 3.83Å; L185-F194 HydrophobicContact CB-CE1 3.62Å; L185-F194 HydrophobicContact CB-CZ 4.12Å; L185-F194 HydrophobicContact CD1-CE1 4.15Å; L185-F194 HydrophobicContact CD1-CE2 4.14Å; L185-F194 HydrophobicContact CD1-CZ 3.77Å; L185-F194 HydrophobicContact CD2-CD1 4.16Å; L185-F194 HydrophobicContact CD2-CD2 3.96Å; L185-F194 HydrophobicContact CD2-CE1 4.28Å; L185-F194 HydrophobicContact CD2-CE2 4.05Å; L185-F194 HydrophobicContact CD2-CG 4.01Å; L185-F194 HydrophobicContact CD2-CZ 4.21Å; L185-F194 HydrophobicContact CG-CD1 4.49Å; L185-F194 HydrophobicContact CG-CE1 4.23Å; L185-F194 HydrophobicContact CG-CZ 4.26Å; K188-F194 WeakPolarHBondContact CE-O 3.4Å; K188-F194 PolarHBondContact NZ-O 3.39Å; Y191-F194 PolarHBondContact O-N 3.03Å; Y191-F194 VanDerWaalsContact O-N 3.17Å; F194-R196 HydrophobicContact CE1-CB 4.12Å; F194-R196 HydrophobicContact CE1-CG 3.96Å; F194-R196 HydrophobicContact CZ-CB 4.21Å; F194-R196 HydrophobicContact CZ-CG 4.46Å
195	M	96.4	Very high	93.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	160.8	173.1	-62.5	179.9	64.1	0	0	110.7	Q175 I176 A177 L444 L447 M448 F462	Q175-M195 PolarHBondContact O-N 3.01Å; I176-M195 CarbonylContact C-O 3.51Å; I176-M195 WeakPolarHBondContact CA-O 3.45Å; A177-M195 PolarHBondContact N-O 3.03Å; M195-L444 HydrophobicContact CG-CD1 4.23Å; M195-L444 HydrophobicContact SD-CD1 3.81Å; M195-L447 HydrophobicContact CE-CB 4.02Å; M195-L447 HydrophobicContact SD-CB 3.61Å; M195-L447 HydrophobicContact SD-CD1 4.42Å; M195-M448 HydrophobicContact CE-CG 4.28Å; M195-M448 HydrophobicContact CE-SD 3.71Å; M195-M448 HydrophobicContact CG-SD 4.03Å; M195-M448 HydrophobicContact SD-CG 4.18Å; M195-M448 HydrophobicContact SD-SD 3.84Å; M195-F462 HydrophobicContact CE-CB 4.25Å; M195-F462 HydrophobicContact CE-CD1 3.89Å; M195-F462 HydrophobicContact CE-CD2 3.29Å; M195-F462 HydrophobicContact CE-CE1 4.02Å; M195-F462 HydrophobicContact CE-CE2 3.44Å; M195-F462 VanDerWaalsContact CE-CE2 3.44Å; M195-F462 HydrophobicContact CE-CG 3.53Å; M195-F462 HydrophobicContact CE-CZ 3.82Å
196	R	95.4	Very high	93.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	137.9	174.7	54.8	176.4	173.4	-146.1	-9.1	114.4	A177 A180 T181 S182 S186 F194 V198 F462 G466 D467 S468	A177-R196 HydrophobicContact CB-CB 4.26Å; A177-R196 VanDerWaalsContact O-CA 3.29Å; A177-R196 WeakPolarHBondContact O-CA 3.39Å; A177-R196 WeakPolarHBondContact O-CB 3.4Å; A180-R196 WeakPolarHBondContact O-CD 3.32Å; A180-R196 PolarHBondContact O-NH1 3.01Å; T181-R196 PolarHBondContact O-NH1 3.31Å; T181-R196 VanDerWaalsContact O-NH1 3.15Å; S182-R196 PolarHBondContact O-NH1 3.46Å; S186-R196 PolarHBondContact OG-NH2 3.24Å; F194-R196 HydrophobicContact CE1-CB 4.12Å; F194-R196 HydrophobicContact CE1-CG 3.96Å; F194-R196 HydrophobicContact CZ-CB 4.21Å; F194-R196 HydrophobicContact CZ-CG 4.46Å; R196-V198 HydrophobicContact CB-CG2 4.18Å; R196-V198 WeakPolarHBondContact CD-O 3.36Å; R196-V198 VanDerWaalsContact CG-O 3.32Å; R196-V198 WeakPolarHBondContact CG-O 3.49Å; R196-V198 PolarHBondContact O-N 2.92Å; R196-F462 WeakPolarHBondContact O-CE1 3.39Å; R196-G466 PolarHBondContact N-O 3.21Å; R196-D467 WeakPolarHBondContact CG-OD1 3.47Å; R196-D467 IonicContact CZ-OD1 3.03Å; R196-D467 IonicContact CZ-OD2 3.58Å; R196-D467 IonicContact NE-OD1 2.83Å; R196-D467 PolarHBondContact NE-OD1 2.84Å; R196-D467 IonicContact NE-OD2 3.62Å; R196-D467 VanDerWaalsContact NH2-CG 3.29Å; R196-D467 IonicContact NH2-OD1 2.65Å; R196-D467 PolarHBondContact NH2-OD1 3.5Å; R196-D467 IonicContact NH2-OD2 3.48Å; R196-D467 PolarHBondContact NH2-OD2 2.94Å; R196-S468 PolarHBondContact O-N 3.35Å
197	V	93.7	Very high	93.6	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.156	C	C	.	.	S	Bend	trans	-82.1	3.1	176.4	-63.3	0	0	0	0	113.6	I176 A177 F405 N408 A409 I460 F462 S468	I176-V197 HydrophobicContact CG2-CG1 4.19Å; A177-V197 PolarHBondContact O-N 3.43Å; V197-F405 HydrophobicContact CG2-CB 4.14Å; V197-F405 VanDerWaalsContact CG2-O 3.27Å; V197-F405 WeakPolarHBondContact CG2-O 3.43Å; V197-N408 HydrophobicContact CB-CB 4.46Å; V197-N408 HydrophobicContact CG2-CB 4.41Å; V197-A409 HydrophobicContact CG1-CB 4.42Å; V197-A409 HydrophobicContact CG2-CB 3.99Å; V197-I460 HydrophobicContact CG1-CG2 4.34Å; V197-F462 HydrophobicContact CG1-CE1 4.03Å; V197-F462 HydrophobicContact CG1-CZ 3.88Å; V197-S468 VanDerWaalsContact O-CB 3.28Å; V197-S468 WeakPolarHBondContact O-CB 3.22Å; V197-S468 PolarHBondContact O-OG 2.94Å
198	V	92	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-113.1	150.6	174	-69.8	0	0	0	0	110.5	Y178 T181 R196 L335 F405	Y178-V198 WeakPolarHBondContact O-CG1 3.5Å; T181-V198 HydrophobicContact CG2-CB 4.42Å; T181-V198 HydrophobicContact CG2-CG2 3.94Å; R196-V198 HydrophobicContact CB-CG2 4.18Å; R196-V198 WeakPolarHBondContact CD-O 3.36Å; R196-V198 VanDerWaalsContact CG-O 3.32Å; R196-V198 WeakPolarHBondContact CG-O 3.49Å; R196-V198 PolarHBondContact O-N 2.92Å; V198-L335 HydrophobicContact CB-CD1 4.4Å; V198-L335 HydrophobicContact CG1-CD1 4.07Å; V198-F405 HydrophobicContact CG1-CB 3.89Å; V198-F405 HydrophobicContact CG1-CD1 3.49Å; V198-F405 VanDerWaalsContact CG1-CD1 3.49Å; V198-F405 HydrophobicContact CG1-CD2 3.82Å; V198-F405 HydrophobicContact CG1-CE1 3.92Å; V198-F405 HydrophobicContact CG1-CE2 4.22Å; V198-F405 HydrophobicContact CG1-CG 3.43Å; V198-F405 VanDerWaalsContact CG1-CG 3.43Å; V198-F405 HydrophobicContact CG1-CZ 4.27Å
199	P	92.2	Very high	93.9	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.032	13%	0.129	C	C	.	.			trans	-70.1	163.5	177.6	31	-39.3	0	0	0	113.9	L335 S468 G470 Y472	P199-L335 HydrophobicContact CG-CD2 3.52Å; P199-S468 VanDerWaalsContact CA-O 3.3Å; P199-S468 WeakPolarHBondContact CA-O 3.31Å; P199-S468 WeakPolarHBondContact CB-O 3.34Å; P199-G470 VanDerWaalsContact CB-CA 3.47Å; P199-Y472 HydrophobicContact CG-CE1 4.16Å; P199-Y472 WeakPolarHBondContact CG-OH 3.32Å
200	S	92.5	Very high	94	Very high	5 Å²	5	21.2 Å²	21.2	4%	0.035	10%	0.102	C	C	.	.			trans	-72.3	144.8	172.8	-178.5	0	0	0	0	112.9	T181 M183 A202 Q203 Y472	T181-S200 CarbonylContact O-C 3.57Å; T181-S200 WeakPolarHBondContact O-CA 3.38Å; M183-S200 WeakPolarHBondContact CA-OG 3.49Å; M183-S200 WeakPolarHBondContact CB-OG 3.38Å; S200-A202 PolarHBondContact O-N 3.14Å; S200-A202 PolarHBondContact OG-N 2.98Å; S200-Q203 PolarHBondContact O-N 3.25Å; S200-Y472 PolarHBondContact O-OH 2.84Å
201	D	90.3	Very high	94	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-56.3	-20.6	172.9	-67.8	-32.1	0	0	0	112.5	T181 S182 Q203 Q204 A205 Y229	T181-D201 VanDerWaalsContact C-CG 3.48Å; T181-D201 WeakPolarHBondContact CB-OD1 3.47Å; T181-D201 VanDerWaalsContact O-CG 3.28Å; T181-D201 PolarHBondContact O-N 3.32Å; T181-D201 VanDerWaalsContact OG1-CG 3.25Å; T181-D201 PolarHBondContact OG1-OD1 3.25Å; T181-D201 PolarHBondContact OG1-OD2 2.97Å; S182-D201 WeakPolarHBondContact CA-OD2 3.4Å; S182-D201 PolarHBondContact N-OD2 3.35Å; S182-D201 VanDerWaalsContact N-OD2 3.12Å; D201-Q203 VanDerWaalsContact C-N 3.3Å; D201-Q203 PolarHBondContact O-N 3.48Å; D201-Q204 WeakPolarHBondContact O-CB 3.42Å; D201-Q204 PolarHBondContact O-N 3.41Å; D201-A205 WeakPolarHBondContact O-CB 3.41Å; D201-A205 PolarHBondContact O-N 3.06Å; D201-Y229 VanDerWaalsContact OD2-CD2 3.29Å; D201-Y229 WeakPolarHBondContact OD2-CD2 3.4Å
202	A	90.3	Very high	94	Very high	27 Å²	27	15 Å²	15	22%	0.223	7%	0.072	C	C	.	.	H	α-helix	trans	-60.4	-37	171.4	0	0	0	0	0	112.6	M183 S200 R206 M240	M183-A202 HydrophobicContact CB-CB 4.31Å; M183-A202 HydrophobicContact CE-CB 4.31Å; M183-A202 HydrophobicContact SD-CB 4.4Å; S200-A202 PolarHBondContact O-N 3.14Å; S200-A202 PolarHBondContact OG-N 2.98Å; A202-R206 PolarHBondContact O-N 3.14Å; A202-R206 VanDerWaalsContact O-N 3.11Å; A202-M240 WeakPolarHBondContact O-CE 3.46Å
203	Q	90.7	Very high	94	Very high	56 Å²	56	14.5 Å²	14.5	26%	0.262	7%	0.07	S	C	.	.	H	α-helix	trans	-74.9	-33.5	175.7	-62	-179.2	14.8	0	0	111.1	S200 D201 R206 A207 Y472 W493	S200-Q203 PolarHBondContact O-N 3.25Å; D201-Q203 VanDerWaalsContact C-N 3.3Å; D201-Q203 PolarHBondContact O-N 3.48Å; Q203-R206 WeakPolarHBondContact O-CB 3.14Å; Q203-R206 PolarHBondContact O-N 2.88Å; Q203-A207 PolarHBondContact O-N 3.04Å; Q203-Y472 HydrophobicContact CB-CE2 4.19Å; Q203-W493 HydrophobicContact CB-CH2 4.26Å; Q203-W493 HydrophobicContact CB-CZ3 4.38Å
204	Q	92.3	Very high	93.8	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-63.7	-42.2	172.3	-169.5	-176.5	80.3	0	0	111.7	D201 A207 M208 F283 D311 I333 Y472	D201-Q204 WeakPolarHBondContact O-CB 3.42Å; D201-Q204 PolarHBondContact O-N 3.41Å; Q204-A207 PolarHBondContact O-N 3.33Å; Q204-M208 PolarHBondContact O-N 2.89Å; Q204-F283 HydrophobicContact CG-CE1 4.37Å; Q204-F283 HydrophobicContact CG-CZ 4.45Å; Q204-D311 PolarHBondContact NE2-OD1 2.91Å; Q204-I333 HydrophobicContact CG-CD1 3.35Å; Q204-I333 HydrophobicContact CG-CG1 3.87Å; Q204-Y472 HydrophobicContact CB-CE1 4.21Å; Q204-Y472 HydrophobicContact CG-CE1 4.36Å; Q204-Y472 PolarHBondContact N-OH 2.66Å
205	A	94.6	Very high	93.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.1	-40.4	173.9	0	0	0	0	0	112.2	D201 M208 V209 A236 F237 M240 F283	D201-A205 WeakPolarHBondContact O-CB 3.41Å; D201-A205 PolarHBondContact O-N 3.06Å; A205-M208 PolarHBondContact O-N 2.94Å; A205-V209 WeakPolarHBondContact O-CG2 3.47Å; A205-V209 PolarHBondContact O-N 3.4Å; A205-A236 HydrophobicContact CB-CB 3.86Å; A205-F237 HydrophobicContact CB-CB 4.16Å; A205-M240 HydrophobicContact CB-CE 3.9Å; A205-F283 HydrophobicContact CB-CE2 4.32Å; A205-F283 HydrophobicContact CB-CZ 3.81Å
206	R	93.9	Very high	93.3	Very high	73 Å²	73	25.9 Å²	25.9	28%	0.275	12%	0.122	S	C	.	.	H	α-helix	trans	-59.8	-47.3	172.2	-176.4	68.3	-144.6	-178.2	8.7	111.5	A202 Q203 M208 V209 D210 M240 E244 W493	A202-R206 PolarHBondContact O-N 3.14Å; A202-R206 VanDerWaalsContact O-N 3.11Å; Q203-R206 WeakPolarHBondContact O-CB 3.14Å; Q203-R206 PolarHBondContact O-N 2.88Å; R206-M208 VanDerWaalsContact C-N 3.34Å; R206-M208 PolarHBondContact O-N 3.05Å; R206-V209 PolarHBondContact O-N 3.15Å; R206-D210 IonicContact CZ-OD1 2.71Å; R206-D210 VanDerWaalsContact CZ-OD1 3.31Å; R206-D210 IonicContact NE-OD1 3.39Å; R206-D210 PolarHBondContact NE-OD1 3.17Å; R206-D210 VanDerWaalsContact NE-OD1 3.15Å; R206-D210 IonicContact NE-OD2 3.2Å; R206-D210 PolarHBondContact NE-OD2 2.89Å; R206-D210 IonicContact NH2-OD1 3.19Å; R206-D210 PolarHBondContact NH2-OD1 3.27Å; R206-D210 PolarHBondContact O-N 3.18Å; R206-M240 HydrophobicContact CB-CE 4.46Å; R206-M240 HydrophobicContact CB-SD 3.87Å; R206-M240 HydrophobicContact CG-SD 4.38Å; R206-E244 IonicContact CZ-OE1 2.82Å; R206-E244 IonicContact NH1-OE1 2.67Å; R206-E244 PolarHBondContact NH1-OE1 3.46Å; R206-E244 IonicContact NH2-OE1 2.64Å; R206-E244 PolarHBondContact NH2-OE1 3.17Å; R206-W493 HydrophobicContact CB-CZ2 4.13Å; R206-W493 HydrophobicContact CG-CZ2 3.76Å
207	A	94.3	Very high	93.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.4	-41.8	177.1	0	0	0	0	0	112.5	Q203 Q204 D210 I211 Y472 W493	Q203-A207 PolarHBondContact O-N 3.04Å; Q204-A207 PolarHBondContact O-N 3.33Å; A207-D210 PolarHBondContact O-N 2.95Å; A207-I211 VanDerWaalsContact O-CG1 3.29Å; A207-I211 WeakPolarHBondContact O-CG1 3.42Å; A207-I211 PolarHBondContact O-N 3.38Å; A207-Y472 HydrophobicContact CB-CD2 4.41Å; A207-W493 HydrophobicContact CB-CB 4.3Å; A207-W493 HydrophobicContact CB-CD2 3.8Å; A207-W493 HydrophobicContact CB-CE3 4.45Å; A207-W493 HydrophobicContact CB-CG 3.73Å
208	M	95.6	Very high	93.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-41.5	174.8	-72.9	-179.4	56	0	0	112.7	Q204 A205 R206 I211 V212 F237 A281 F283 V308 I333	Q204-M208 PolarHBondContact O-N 2.89Å; A205-M208 PolarHBondContact O-N 2.94Å; R206-M208 VanDerWaalsContact C-N 3.34Å; R206-M208 PolarHBondContact O-N 3.05Å; M208-I211 PolarHBondContact O-N 3.31Å; M208-V212 VanDerWaalsContact O-CG2 3.25Å; M208-V212 WeakPolarHBondContact O-CG2 3.47Å; M208-V212 PolarHBondContact O-N 2.86Å; M208-F237 HydrophobicContact CB-CD2 3.93Å; M208-F237 HydrophobicContact CB-CE2 3.88Å; M208-A281 HydrophobicContact CE-CB 3.95Å; M208-F283 HydrophobicContact CE-CD2 4.04Å; M208-F283 HydrophobicContact CE-CE2 3.72Å; M208-F283 HydrophobicContact SD-CD2 4.04Å; M208-F283 HydrophobicContact SD-CE1 4.45Å; M208-F283 HydrophobicContact SD-CE2 3.32Å; M208-F283 WeakPolarHBondContact SD-CE2 3.26Å; M208-F283 HydrophobicContact SD-CZ 3.55Å; M208-F283 VanDerWaalsContact SD-CZ 3.55Å; M208-V308 HydrophobicContact CE-CG1 4.39Å; M208-V308 VanDerWaalsContact CE-O 3.3Å; M208-V308 WeakPolarHBondContact CE-O 3.42Å; M208-I333 HydrophobicContact CG-CD1 3.34Å; M208-I333 HydrophobicContact SD-CD1 3.72Å
209	V	96.1	Very high	93.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.3	-40.6	174.9	170.7	0	0	0	0	111.4	A205 R206 I211 V212 K213 F237 M240 A241 E244 I246	A205-V209 WeakPolarHBondContact O-CG2 3.47Å; A205-V209 PolarHBondContact O-N 3.4Å; R206-V209 PolarHBondContact O-N 3.15Å; V209-I211 VanDerWaalsContact C-N 3.34Å; V209-I211 PolarHBondContact O-N 3.36Å; V209-V212 PolarHBondContact O-N 2.79Å; V209-K213 WeakPolarHBondContact O-CB 3.5Å; V209-K213 PolarHBondContact O-N 3.33Å; V209-F237 HydrophobicContact CG2-CD2 3.61Å; V209-F237 HydrophobicContact CG2-CE2 3.68Å; V209-F237 HydrophobicContact CG2-CG 4.41Å; V209-M240 HydrophobicContact CB-CB 4.48Å; V209-M240 HydrophobicContact CG1-CB 4.49Å; V209-M240 HydrophobicContact CG2-CB 3.9Å; V209-A241 HydrophobicContact CG2-CB 4.34Å; V209-E244 HydrophobicContact CG1-CB 4.27Å; V209-E244 HydrophobicContact CG1-CG 3.83Å; V209-I246 HydrophobicContact CG1-CD1 4.17Å
210	D	95.3	Very high	93.6	Very high	30 Å²	30	28.1 Å²	28.1	16%	0.16	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-36.5	177	-69.4	-33.7	0	0	0	112.5	R206 A207 R214 W493 L498	R206-D210 IonicContact CZ-OD1 2.71Å; R206-D210 VanDerWaalsContact CZ-OD1 3.31Å; R206-D210 IonicContact NE-OD1 3.39Å; R206-D210 PolarHBondContact NE-OD1 3.17Å; R206-D210 VanDerWaalsContact NE-OD1 3.15Å; R206-D210 IonicContact NE-OD2 3.2Å; R206-D210 PolarHBondContact NE-OD2 2.89Å; R206-D210 IonicContact NH2-OD1 3.19Å; R206-D210 PolarHBondContact NH2-OD1 3.27Å; R206-D210 PolarHBondContact O-N 3.18Å; A207-D210 PolarHBondContact O-N 2.95Å; D210-R214 WeakPolarHBondContact O-CB 3.13Å; D210-R214 PolarHBondContact O-N 2.99Å; D210-W493 PolarHBondContact OD2-NE1 2.85Å; D210-L498 HydrophobicContact CB-CB 4.42Å; D210-L498 HydrophobicContact CB-CD2 4.48Å
211	I	94.9	Very high	93.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.7	-49.8	173.1	-66.8	162.6	0	0	0	110.7	A207 M208 V209 K213 R214 Y215 W217 I333 I474 L498	A207-I211 VanDerWaalsContact O-CG1 3.29Å; A207-I211 WeakPolarHBondContact O-CG1 3.42Å; A207-I211 PolarHBondContact O-N 3.38Å; M208-I211 PolarHBondContact O-N 3.31Å; V209-I211 VanDerWaalsContact C-N 3.34Å; V209-I211 PolarHBondContact O-N 3.36Å; I211-K213 VanDerWaalsContact C-N 3.29Å; I211-K213 PolarHBondContact O-N 3.22Å; I211-R214 PolarHBondContact O-N 3.17Å; I211-Y215 HydrophobicContact CG2-CD2 4.22Å; I211-Y215 HydrophobicContact CG2-CE2 4.15Å; I211-Y215 WeakPolarHBondContact O-CD2 3.17Å; I211-Y215 PolarHBondContact O-N 3.15Å; I211-W217 HydrophobicContact CG2-CZ3 4.48Å; I211-I333 HydrophobicContact CD1-CG2 3.86Å; I211-I474 HydrophobicContact CD1-CD1 4.2Å; I211-I474 HydrophobicContact CD1-CG2 4.32Å; I211-L498 HydrophobicContact CB-CD2 4.27Å; I211-L498 HydrophobicContact CG1-CD1 4.03Å; I211-L498 HydrophobicContact CG1-CD2 3.68Å
212	V	95.4	Very high	94	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.5	-39.9	-179.4	173.1	0	0	0	0	111	M208 V209 N216 W217 V220 I246	M208-V212 VanDerWaalsContact O-CG2 3.25Å; M208-V212 WeakPolarHBondContact O-CG2 3.47Å; M208-V212 PolarHBondContact O-N 2.86Å; V209-V212 PolarHBondContact O-N 2.79Å; V212-N216 PolarHBondContact O-N 3.24Å; V212-W217 HydrophobicContact CB-CE3 4.29Å; V212-W217 HydrophobicContact CG1-CB 3.86Å; V212-W217 HydrophobicContact CG1-CE3 4.37Å; V212-W217 WeakPolarHBondContact CG1-O 3.12Å; V212-W217 HydrophobicContact CG2-CE3 4.12Å; V212-W217 PolarHBondContact O-N 3.2Å; V212-W217 VanDerWaalsContact O-N 3.15Å; V212-V220 HydrophobicContact CG1-CG1 3.95Å; V212-I246 HydrophobicContact CB-CD1 4.35Å; V212-I246 HydrophobicContact CG1-CD1 3.81Å; V212-I246 HydrophobicContact CG1-CG1 4.38Å; V212-I246 HydrophobicContact CG1-CG2 3.97Å
213	K	94.1	Very high	94.3	Very high	95 Å²	95	26.6 Å²	26.6	41%	0.413	12%	0.122	S	C	.	.	H	α-helix	trans	-64.5	-43.1	174.2	179	168.5	170.2	171.3	0	112.6	V209 I211 Y215 N216 E244	V209-K213 WeakPolarHBondContact O-CB 3.5Å; V209-K213 PolarHBondContact O-N 3.33Å; I211-K213 VanDerWaalsContact C-N 3.29Å; I211-K213 PolarHBondContact O-N 3.22Å; K213-Y215 VanDerWaalsContact C-N 3.29Å; K213-Y215 PolarHBondContact O-N 3.13Å; K213-N216 PolarHBondContact O-N 3.39Å; K213-N216 VanDerWaalsContact O-N 3.09Å; K213-E244 HydrophobicContact CD-CG 4.34Å; K213-E244 IonicContact NZ-OE1 3.49Å; K213-E244 PolarHBondContact NZ-OE1 3.01Å; K213-E244 IonicContact NZ-OE2 2.68Å; K213-E244 PolarHBondContact NZ-OE2 3.4Å
214	R	92.5	Very high	94.5	Very high	100 Å²	100	24.5 Å²	24.5	38%	0.377	11%	0.112	S	C	.	.	H	α-helix	trans	-59.6	-37.1	179.5	-175.3	176.5	178.4	127.7	-6.1	112.9	D210 I211 N216 L498 I500 D502	D210-R214 WeakPolarHBondContact O-CB 3.13Å; D210-R214 PolarHBondContact O-N 2.99Å; I211-R214 PolarHBondContact O-N 3.17Å; R214-N216 VanDerWaalsContact C-N 3.33Å; R214-L498 HydrophobicContact CB-CD2 4.23Å; R214-L498 PolarHBondContact NH1-O 2.61Å; R214-I500 PolarHBondContact NH2-O 2.95Å; R214-I500 VanDerWaalsContact NH2-O 3.1Å; R214-D502 IonicContact CZ-OD1 2.88Å; R214-D502 IonicContact CZ-OD2 3.43Å; R214-D502 IonicContact NE-OD1 3.82Å; R214-D502 PolarHBondContact NE-OD1 3.2Å; R214-D502 IonicContact NE-OD2 3.82Å; R214-D502 PolarHBondContact NE-OD2 2.92Å; R214-D502 IonicContact NH2-OD1 2.73Å; R214-D502 IonicContact NH2-OD2 2.72Å; R214-D502 PolarHBondContact NH2-OD2 2.88Å
215	Y	91.9	Very high	94.4	Very high	18 Å²	18	24.7 Å²	24.7	7%	0.071	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	8.8	178.3	-63.4	-59.2	0	0	0	114.6	I211 K213 W217 D502 I505 W506 I512	I211-Y215 HydrophobicContact CG2-CD2 4.22Å; I211-Y215 HydrophobicContact CG2-CE2 4.15Å; I211-Y215 WeakPolarHBondContact O-CD2 3.17Å; I211-Y215 PolarHBondContact O-N 3.15Å; K213-Y215 VanDerWaalsContact C-N 3.29Å; K213-Y215 PolarHBondContact O-N 3.13Å; Y215-W217 VanDerWaalsContact C-N 3.26Å; Y215-W217 HydrophobicContact CD2-CE3 4.5Å; Y215-W217 AromaticContact CD2-CH2 3.49Å; Y215-W217 HydrophobicContact CD2-CH2 3.49Å; Y215-W217 VanDerWaalsContact CD2-CH2 3.49Å; Y215-W217 AromaticContact CD2-CZ2 3.81Å; Y215-W217 HydrophobicContact CD2-CZ2 3.81Å; Y215-W217 AromaticContact CD2-CZ3 3.88Å; Y215-W217 HydrophobicContact CD2-CZ3 3.88Å; Y215-W217 HydrophobicContact CE2-CH2 4.32Å; Y215-W217 AromaticContact CG-CH2 3.99Å; Y215-W217 HydrophobicContact CG-CH2 3.99Å; Y215-W217 AromaticContact CG-CZ2 3.79Å; Y215-W217 HydrophobicContact CG-CZ2 3.79Å; Y215-W217 PolarHBondContact O-N 2.94Å; Y215-D502 WeakPolarHBondContact CE1-OD1 3.36Å; Y215-D502 VanDerWaalsContact CZ-OD1 3.25Å; Y215-D502 PolarHBondContact OH-OD1 3.44Å; Y215-I505 WeakPolarHBondContact OH-CD1 3.4Å; Y215-W506 AromaticContact CE1-NE1 3.59Å; Y215-W506 AromaticContact CZ-NE1 3.83Å; Y215-I512 HydrophobicContact CD1-CG2 4.37Å
216	N	92.2	Very high	94	Very high	132 Å²	132	27 Å²	27	71%	0.706	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	34.5	179.9	-55.9	-79	0	0	0	113.8	V212 K213 R214 S218	V212-N216 PolarHBondContact O-N 3.24Å; K213-N216 PolarHBondContact O-N 3.39Å; K213-N216 VanDerWaalsContact O-N 3.09Å; R214-N216 VanDerWaalsContact C-N 3.33Å; N216-S218 PolarHBondContact O-N 3.22Å
217	W	94.4	Very high	93.4	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.015	12%	0.124	C	C	.	.			trans	-83.6	110.2	177.5	-62.1	-27.1	0	0	0	110.5	I211 V212 Y215 V220 V279 L306 V308 I331 W506 I513	I211-W217 HydrophobicContact CG2-CZ3 4.48Å; V212-W217 HydrophobicContact CB-CE3 4.29Å; V212-W217 HydrophobicContact CG1-CB 3.86Å; V212-W217 HydrophobicContact CG1-CE3 4.37Å; V212-W217 WeakPolarHBondContact CG1-O 3.12Å; V212-W217 HydrophobicContact CG2-CE3 4.12Å; V212-W217 PolarHBondContact O-N 3.2Å; V212-W217 VanDerWaalsContact O-N 3.15Å; Y215-W217 VanDerWaalsContact C-N 3.26Å; Y215-W217 HydrophobicContact CD2-CE3 4.5Å; Y215-W217 AromaticContact CD2-CH2 3.49Å; Y215-W217 HydrophobicContact CD2-CH2 3.49Å; Y215-W217 VanDerWaalsContact CD2-CH2 3.49Å; Y215-W217 AromaticContact CD2-CZ2 3.81Å; Y215-W217 HydrophobicContact CD2-CZ2 3.81Å; Y215-W217 AromaticContact CD2-CZ3 3.88Å; Y215-W217 HydrophobicContact CD2-CZ3 3.88Å; Y215-W217 HydrophobicContact CE2-CH2 4.32Å; Y215-W217 AromaticContact CG-CH2 3.99Å; Y215-W217 HydrophobicContact CG-CH2 3.99Å; Y215-W217 AromaticContact CG-CZ2 3.79Å; Y215-W217 HydrophobicContact CG-CZ2 3.79Å; Y215-W217 PolarHBondContact O-N 2.94Å; W217-V220 HydrophobicContact CB-CG1 4.12Å; W217-V279 HydrophobicContact CD2-CB 4.46Å; W217-V279 HydrophobicContact CD2-CG1 4.43Å; W217-V279 HydrophobicContact CD2-CG2 3.63Å; W217-V279 HydrophobicContact CE3-CB 4.29Å; W217-V279 HydrophobicContact CE3-CG1 3.78Å; W217-V279 HydrophobicContact CE3-CG2 3.77Å; W217-V279 HydrophobicContact CG-CG2 4.14Å; W217-V279 HydrophobicContact CH2-CG2 4.21Å; W217-V279 HydrophobicContact CZ2-CG2 4.04Å; W217-V279 HydrophobicContact CZ3-CG1 3.98Å; W217-V279 HydrophobicContact CZ3-CG2 4.08Å; W217-L306 HydrophobicContact CH2-CD2 3.47Å; W217-L306 VanDerWaalsContact CH2-CD2 3.47Å; W217-L306 HydrophobicContact CZ2-CD2 3.76Å; W217-L306 HydrophobicContact CZ3-CD2 4.34Å; W217-V308 HydrophobicContact CZ3-CG2 3.99Å; W217-I331 HydrophobicContact CH2-CD1 4.44Å; W217-W506 HydrophobicContact CZ2-CZ2 4.27Å; W217-I513 PolarHBondContact NE1-O 3.09Å
218	S	93.1	Very high	92.9	Very high	27 Å²	27	27.7 Å²	27.7	19%	0.189	14%	0.14	C	C	.	.			trans	-102.7	-8.5	-177.2	64.5	0	0	0	0	114.4	N216 C247 S515 C536	N216-S218 PolarHBondContact O-N 3.22Å; S218-C247 PolarHBondContact O-N 3.45Å; S218-S515 PolarHBondContact N-O 2.94Å; S218-S515 VanDerWaalsContact N-O 3.12Å; S218-C536 PolarHBondContact O-SG 3.47Å; S218-C536 VanDerWaalsContact O-SG 3.37Å
219	Y	94.8	Very high	92.4	Very high	22 Å²	22	29.3 Å²	29.3	9%	0.086	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	103.7	178.8	-167.9	-119.4	0	0	0	110.4	C247 A249 H273 K276 A277 S515 C517 V534	Y219-C247 WeakPolarHBondContact CA-O 3.47Å; Y219-C247 HydrophobicContact CD2-CB 4.05Å; Y219-A249 HydrophobicContact CD1-CB 4.19Å; Y219-A249 HydrophobicContact CD2-CB 4.18Å; Y219-A249 HydrophobicContact CE1-CB 3.61Å; Y219-A249 HydrophobicContact CE2-CB 3.61Å; Y219-A249 HydrophobicContact CG-CB 4.45Å; Y219-A249 WeakPolarHBondContact OH-CB 3.49Å; Y219-H273 PolarHBondContact OH-ND1 3.34Å; Y219-K276 HydrophobicContact CD1-CB 3.82Å; Y219-K276 HydrophobicContact CE1-CB 3.79Å; Y219-A277 HydrophobicContact CD1-CB 3.78Å; Y219-A277 HydrophobicContact CE1-CB 3.89Å; Y219-S515 PolarHBondContact N-O 2.85Å; Y219-S515 CarbonylContact O-C 3.59Å; Y219-S515 WeakPolarHBondContact O-CB 3.48Å; Y219-S515 PolarHBondContact O-OG 2.83Å; Y219-C517 HydrophobicContact CD1-CB 3.8Å; Y219-C517 HydrophobicContact CD2-CB 3.95Å; Y219-C517 HydrophobicContact CE1-CB 4.2Å; Y219-C517 HydrophobicContact CE2-CB 4.33Å; Y219-C517 HydrophobicContact CG-CB 3.67Å; Y219-V534 HydrophobicContact CD2-CG2 4.44Å; Y219-V534 HydrophobicContact CE2-CG2 3.95Å
220	V	96.3	Very high	92.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.2	-173.9	-57.3	0	0	0	0	111.1	V212 W217 I246 C247 I248 A249 V279	V212-V220 HydrophobicContact CG1-CG1 3.95Å; W217-V220 HydrophobicContact CB-CG1 4.12Å; V220-I246 HydrophobicContact CG2-CG2 4.12Å; V220-C247 PolarHBondContact N-O 3.03Å; V220-I248 HydrophobicContact CG2-CG1 4.26Å; V220-I248 CarbonylContact O-C 3.53Å; V220-I248 VanDerWaalsContact O-CA 3.31Å; V220-I248 WeakPolarHBondContact O-CA 3.21Å; V220-A249 WeakPolarHBondContact O-CB 3.4Å; V220-A249 PolarHBondContact O-N 3.27Å; V220-V279 HydrophobicContact CB-CB 4.49Å; V220-V279 HydrophobicContact CB-CG1 4.49Å; V220-V279 HydrophobicContact CG1-CB 4.04Å; V220-V279 HydrophobicContact CG1-CG1 4.05Å
221	S	96.3	Very high	91.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	155	164.3	-64.4	0	0	0	0	110.2	V279 V280 A281	S221-V279 PolarHBondContact N-O 3.06Å; S221-V280 CarbonylContact O-C 3.53Å; S221-V280 WeakPolarHBondContact O-CA 3.26Å; S221-A281 PolarHBondContact O-N 2.95Å
222	A	95.9	Very high	91.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.8	179.4	0	0	0	0	0	110.5	M234 I248 H250 S251 G252 A281	A222-M234 HydrophobicContact CB-CE 3.82Å; A222-M234 HydrophobicContact CB-SD 3.74Å; A222-I248 HydrophobicContact CB-CD1 4.33Å; A222-I248 HydrophobicContact CB-CG1 4.49Å; A222-I248 HydrophobicContact CB-CG2 3.73Å; A222-H250 PolarHBondContact N-O 3.03Å; A222-S251 CarbonylContact O-C 3.6Å; A222-S251 WeakPolarHBondContact O-CA 3.42Å; A222-G252 PolarHBondContact O-N 2.92Å; A222-A281 CarbonylContact C-O 3.39Å; A222-A281 WeakPolarHBondContact CA-O 3.41Å
223	I	96.3	Very high	91.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.7	176.2	-50	174.8	0	0	0	109.2	M234 G252 L266 L270 V280 A281 C282 F283 I292	I223-M234 WeakPolarHBondContact O-CE 3.32Å; I223-G252 CarbonylContact C-O 3.59Å; I223-G252 VanDerWaalsContact CA-O 3.28Å; I223-G252 WeakPolarHBondContact CA-O 3.45Å; I223-L266 HydrophobicContact CD1-CD2 4.45Å; I223-L266 HydrophobicContact CG2-CD2 4.04Å; I223-L270 HydrophobicContact CD1-CD1 3.52Å; I223-L270 HydrophobicContact CD1-CD2 4.28Å; I223-L270 HydrophobicContact CG1-CD1 4.35Å; I223-L270 HydrophobicContact CG1-CD2 4.29Å; I223-V280 HydrophobicContact CD1-CG1 3.43Å; I223-V280 VanDerWaalsContact CD1-CG1 3.43Å; I223-V280 HydrophobicContact CG1-CG1 3.7Å; I223-A281 PolarHBondContact N-O 3.02Å; I223-C282 WeakPolarHBondContact O-CA 3.33Å; I223-F283 PolarHBondContact O-N 2.96Å; I223-I292 HydrophobicContact CD1-CD1 4.16Å; I223-I292 HydrophobicContact CG2-CD1 4.22Å
224	H	95	Very high	91.6	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.056	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157	169.4	60.7	105.7	0	0	0	113.1	G230 M234 G252 K253 I254 F283	H224-G230 VanDerWaalsContact CB-O 3.28Å; H224-G230 WeakPolarHBondContact CB-O 3.48Å; H224-M234 HydrophobicContact CB-CB 3.86Å; H224-M234 HydrophobicContact CB-CE 4.37Å; H224-M234 HydrophobicContact CB-CG 4.23Å; H224-G252 PolarHBondContact CD2-O 2.83Å; H224-G252 PolarHBondContact N-O 3.44Å; H224-K253 WeakPolarHBondContact CE1-CB 3.48Å; H224-I254 PolarHBondContact O-N 2.74Å; H224-F283 CarbonylContact C-O 3.4Å; H224-F283 WeakPolarHBondContact CA-O 3.46Å; H224-F283 HydrophobicContact CB-CB 4.12Å; H224-F283 WeakPolarHBondContact CB-O 3.44Å
225	T	90.5	Very high	91.7	Very high	5 Å²	5	28 Å²	28	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	149	165.6	-54.8	0	0	0	0	109.7	G230 I254 F283 C284 E285 T288	T225-G230 WeakPolarHBondContact O-CA 3.45Å; T225-I254 CarbonylContact C-O 3.54Å; T225-I254 VanDerWaalsContact CA-O 3.31Å; T225-I254 WeakPolarHBondContact CA-O 3.39Å; T225-F283 PolarHBondContact N-O 2.97Å; T225-C284 VanDerWaalsContact OG1-CA 3.32Å; T225-C284 WeakPolarHBondContact OG1-CA 3.08Å; T225-E285 HydrophobicContact CG2-CG 4.23Å; T225-E285 PolarHBondContact OG1-N 3.35Å; T225-T288 WeakPolarHBondContact OG1-CB 3.49Å; T225-T288 WeakPolarHBondContact OG1-CG2 3.43Å; T225-T288 PolarHBondContact OG1-OG1 3.28Å
226	E	85.5	Confident	91.8	Very high	49 Å²	49	27.7 Å²	27.7	23%	0.229	15%	0.148	C	C	.	.	S	Bend	trans	-71.6	137.8	175.2	-164.9	142.1	168.9	0	0	111.3	K253 I254 W255	E226-K253 IonicContact OE1-NZ 3.58Å; E226-K253 PolarHBondContact OE1-NZ 3.06Å; E226-K253 WeakPolarHBondContact OE2-CD 3.31Å; E226-K253 WeakPolarHBondContact OE2-CE 3.09Å; E226-K253 IonicContact OE2-NZ 3.45Å; E226-K253 PolarHBondContact OE2-NZ 3.08Å; E226-I254 PolarHBondContact N-O 3.42Å; E226-W255 HydrophobicContact CB-CD2 3.97Å; E226-W255 HydrophobicContact CB-CE3 4.26Å; E226-W255 HydrophobicContact CB-CG 4.24Å; E226-W255 HydrophobicContact CB-CZ2 4.47Å; E226-W255 VanDerWaalsContact CD-CZ2 3.42Å; E226-W255 HydrophobicContact CG-CD2 4.13Å; E226-W255 HydrophobicContact CG-CE3 4.45Å; E226-W255 HydrophobicContact CG-CH2 4.08Å; E226-W255 HydrophobicContact CG-CZ2 3.73Å; E226-W255 HydrophobicContact CG-CZ3 4.43Å; E226-W255 VanDerWaalsContact OE1-CZ2 3.24Å; E226-W255 WeakPolarHBondContact OE1-CZ2 3.28Å; E226-W255 PolarHBondContact OE2-NE1 2.91Å; E226-W255 VanDerWaalsContact OE2-NE1 3.15Å
227	G	82	Confident	92	Very high	27 Å²	27	21.4 Å²	21.4	28%	0.278	11%	0.114	S	C	.	.	S	Bend	trans	104.6	162.4	-173.8	0	0	0	0	0	115.3	Y229 G230 E231	G227-Y229 PolarHBondContact O-N 3.12Å; G227-G230 PolarHBondContact O-N 3.42Å; G227-E231 PolarHBondContact O-N 3.45Å
228	N	83.9	Confident	92	Very high	61 Å²	61	23.6 Å²	23.6	33%	0.326	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-14.8	-163.5	-53.9	70.8	0	0	0	117.6	I162 S182 D184 S232	I162-N228 HydrophobicContact CD1-CB 4.2Å; S182-N228 WeakPolarHBondContact CB-O 3.04Å; S182-N228 PolarHBondContact OG-O 3.41Å; D184-N228 WeakPolarHBondContact OD2-CB 3.06Å; D184-N228 PolarHBondContact OD2-ND2 2.9Å; N228-S232 WeakPolarHBondContact O-CB 3.47Å; N228-S232 PolarHBondContact O-OG 3.25Å
229	Y	85	Confident	92	Very high	33 Å²	33	25.9 Å²	25.9	13%	0.129	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-57.9	170.4	166.8	-101.2	0	0	0	110.2	D201 G227 G233 E285 S310 D311 G312	D201-Y229 VanDerWaalsContact OD2-CD2 3.29Å; D201-Y229 WeakPolarHBondContact OD2-CD2 3.4Å; G227-Y229 PolarHBondContact O-N 3.12Å; Y229-G233 PolarHBondContact O-N 3.19Å; Y229-E285 HydrophobicContact CD1-CG 4.49Å; Y229-S310 WeakPolarHBondContact OH-CB 3.26Å; Y229-S310 PolarHBondContact OH-OG 2.83Å; Y229-D311 PolarHBondContact OH-OD1 2.82Å; Y229-G312 PolarHBondContact OH-N 2.7Å
230	G	89.6	Confident	92	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-71.5	-39.6	-177.3	0	0	0	0	0	112.9	H224 T225 G227 M234 F283	H224-G230 VanDerWaalsContact CB-O 3.28Å; H224-G230 WeakPolarHBondContact CB-O 3.48Å; T225-G230 WeakPolarHBondContact O-CA 3.45Å; G227-G230 PolarHBondContact O-N 3.42Å; G230-M234 WeakPolarHBondContact O-CB 3.44Å; G230-M234 PolarHBondContact O-N 2.98Å; G230-M234 VanDerWaalsContact O-N 3.09Å; G230-F283 WeakPolarHBondContact CA-O 3.45Å
231	E	91	Very high	92	Very high	69 Å²	69	26.3 Å²	26.3	32%	0.322	14%	0.137	S	C	.	.	H	α-helix	trans	-69.7	-53.9	-177.2	-66.7	-170.9	141.5	0	0	111.9	G227 M234 E235 K253	G227-E231 PolarHBondContact O-N 3.45Å; E231-M234 PolarHBondContact O-N 2.98Å; E231-E235 PolarHBondContact O-N 3.47Å; E231-K253 IonicContact OE1-NZ 3.81Å
232	S	90.7	Very high	91.8	Very high	19 Å²	19	29.7 Å²	29.7	13%	0.133	17%	0.165	C	C	.	.	H	α-helix	trans	-68.4	-40.9	-178.3	-46.7	0	0	0	0	112.7	D184 N228 M234 E235 A236	D184-S232 WeakPolarHBondContact OD1-CB 3.43Å; D184-S232 PolarHBondContact OD1-OG 2.95Å; D184-S232 PolarHBondContact OD2-OG 3.33Å; N228-S232 WeakPolarHBondContact O-CB 3.47Å; N228-S232 PolarHBondContact O-OG 3.25Å; S232-M234 VanDerWaalsContact C-N 3.34Å; S232-M234 PolarHBondContact O-N 3.11Å; S232-E235 PolarHBondContact O-N 3.35Å; S232-A236 PolarHBondContact O-N 3.18Å
233	G	92.4	Very high	91.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-39	174.3	0	0	0	0	0	112.9	Y229 F237	Y229-G233 PolarHBondContact O-N 3.19Å; G233-F237 WeakPolarHBondContact O-CB 3.4Å; G233-F237 PolarHBondContact O-N 2.93Å
234	M	94.8	Very high	91.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-71.4	-33.6	174.6	-178.8	54	68.6	0	0	113.1	A222 I223 H224 G230 E231 S232 F237 K238 F283	A222-M234 HydrophobicContact CB-CE 3.82Å; A222-M234 HydrophobicContact CB-SD 3.74Å; I223-M234 WeakPolarHBondContact O-CE 3.32Å; H224-M234 HydrophobicContact CB-CB 3.86Å; H224-M234 HydrophobicContact CB-CE 4.37Å; H224-M234 HydrophobicContact CB-CG 4.23Å; G230-M234 WeakPolarHBondContact O-CB 3.44Å; G230-M234 PolarHBondContact O-N 2.98Å; G230-M234 VanDerWaalsContact O-N 3.09Å; E231-M234 PolarHBondContact O-N 2.98Å; S232-M234 VanDerWaalsContact C-N 3.34Å; S232-M234 PolarHBondContact O-N 3.11Å; M234-F237 PolarHBondContact O-N 2.71Å; M234-F237 HydrophobicContact SD-CB 4.3Å; M234-F237 HydrophobicContact SD-CD1 3.79Å; M234-F237 HydrophobicContact SD-CG 4.41Å; M234-K238 HydrophobicContact CG-CD 4.37Å; M234-K238 WeakPolarHBondContact O-CG 3.29Å; M234-K238 PolarHBondContact O-N 2.82Å; M234-K238 HydrophobicContact SD-CG 4.39Å; M234-F283 HydrophobicContact CB-CB 4.3Å; M234-F283 HydrophobicContact CE-CB 4.2Å; M234-F283 HydrophobicContact CE-CD2 4.01Å
235	E	93.8	Very high	91.3	Very high	110 Å²	110	41.3 Å²	41.3	51%	0.514	23%	0.231	S	C	.	.	H	α-helix	trans	-68.9	-41.4	176	-155.4	59.3	-147.7	0	0	111.8	E231 S232 F237 K238 D239	E231-E235 PolarHBondContact O-N 3.47Å; S232-E235 PolarHBondContact O-N 3.35Å; E235-F237 VanDerWaalsContact C-N 3.31Å; E235-F237 PolarHBondContact O-N 3.39Å; E235-K238 PolarHBondContact O-N 3.35Å; E235-K238 WeakPolarHBondContact OE2-CD 3.2Å; E235-K238 IonicContact OE2-NZ 2.69Å; E235-K238 PolarHBondContact OE2-NZ 3.08Å; E235-D239 PolarHBondContact O-N 3.5Å
236	A	94.1	Very high	91.6	Very high	10 Å²	10	41.7 Å²	41.7	8%	0.083	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-40.6	168.9	0	0	0	0	0	112.3	M183 A205 S232 M240	M183-A236 HydrophobicContact SD-CB 3.85Å; A205-A236 HydrophobicContact CB-CB 3.86Å; S232-A236 PolarHBondContact O-N 3.18Å; A236-M240 HydrophobicContact CB-CE 3.89Å; A236-M240 WeakPolarHBondContact O-CB 3.22Å; A236-M240 WeakPolarHBondContact O-CE 3.27Å; A236-M240 PolarHBondContact O-N 3.22Å; A236-M240 VanDerWaalsContact O-N 3.11Å
237	F	95.7	Very high	92	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-44.4	175.5	178.5	-94.2	0	0	0	112.3	A205 M208 V209 G233 M234 E235 M240 A241 I248 A281 F283	A205-F237 HydrophobicContact CB-CB 4.16Å; M208-F237 HydrophobicContact CB-CD2 3.93Å; M208-F237 HydrophobicContact CB-CE2 3.88Å; V209-F237 HydrophobicContact CG2-CD2 3.61Å; V209-F237 HydrophobicContact CG2-CE2 3.68Å; V209-F237 HydrophobicContact CG2-CG 4.41Å; G233-F237 WeakPolarHBondContact O-CB 3.4Å; G233-F237 PolarHBondContact O-N 2.93Å; M234-F237 PolarHBondContact O-N 2.71Å; M234-F237 HydrophobicContact SD-CB 4.3Å; M234-F237 HydrophobicContact SD-CD1 3.79Å; M234-F237 HydrophobicContact SD-CG 4.41Å; E235-F237 VanDerWaalsContact C-N 3.31Å; E235-F237 PolarHBondContact O-N 3.39Å; F237-M240 PolarHBondContact O-N 3.12Å; F237-A241 HydrophobicContact CE1-CB 4.46Å; F237-A241 WeakPolarHBondContact O-CB 3.47Å; F237-A241 PolarHBondContact O-N 3.27Å; F237-I248 HydrophobicContact CD1-CD1 4.36Å; F237-I248 HydrophobicContact CE1-CD1 4.24Å; F237-A281 HydrophobicContact CD1-CB 4.48Å; F237-A281 HydrophobicContact CE1-CB 3.76Å; F237-A281 HydrophobicContact CE2-CB 4.25Å; F237-A281 HydrophobicContact CZ-CB 3.62Å; F237-F283 HydrophobicContact CB-CD2 4.34Å; F237-F283 HydrophobicContact CB-CE2 3.86Å; F237-F283 HydrophobicContact CD2-CE2 4.26Å; F237-F283 HydrophobicContact CG-CE2 4.24Å
238	K	94.5	Very high	92.5	Very high	50 Å²	50	40.6 Å²	40.6	22%	0.217	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-48.3	177.8	-72.3	157	-178.8	155.9	0	112.2	M234 E235 A241 A242 I248 S251	M234-K238 HydrophobicContact CG-CD 4.37Å; M234-K238 WeakPolarHBondContact O-CG 3.29Å; M234-K238 PolarHBondContact O-N 2.82Å; M234-K238 HydrophobicContact SD-CG 4.39Å; E235-K238 PolarHBondContact O-N 3.35Å; E235-K238 WeakPolarHBondContact OE2-CD 3.2Å; E235-K238 IonicContact OE2-NZ 2.69Å; E235-K238 PolarHBondContact OE2-NZ 3.08Å; K238-A241 PolarHBondContact O-N 2.91Å; K238-A242 WeakPolarHBondContact O-CB 3.05Å; K238-A242 PolarHBondContact O-N 3.44Å; K238-I248 HydrophobicContact CB-CD1 4.25Å; K238-I248 HydrophobicContact CG-CD1 3.58Å; K238-S251 WeakPolarHBondContact CE-OG 3.46Å
239	D	94.7	Very high	92.9	Very high	75 Å²	75	38.5 Å²	38.5	40%	0.401	21%	0.213	S	C	.	.	H	α-helix	trans	-60.5	-46	179.1	165.4	76.7	0	0	0	111.7	E235 A242 K243	E235-D239 PolarHBondContact O-N 3.5Å; D239-A242 PolarHBondContact O-N 2.84Å; D239-K243 WeakPolarHBondContact O-CD 3.48Å; D239-K243 WeakPolarHBondContact O-CG 3.48Å; D239-K243 PolarHBondContact O-N 3.09Å; D239-K243 WeakPolarHBondContact OD1-CE 3.21Å; D239-K243 IonicContact OD1-NZ 3.26Å; D239-K243 PolarHBondContact OD1-NZ 3.1Å; D239-K243 WeakPolarHBondContact OD2-CE 3.25Å; D239-K243 IonicContact OD2-NZ 2.7Å; D239-K243 PolarHBondContact OD2-NZ 2.93Å
240	M	95.1	Very high	93.2	Very high	30 Å²	30	39.1 Å²	39.1	15%	0.148	22%	0.217	C	C	.	.	H	α-helix	trans	-71.8	-35	178.4	-72.7	-173.5	-97	0	0	113.1	A202 A205 R206 V209 A236 F237 K243 E244	A202-M240 WeakPolarHBondContact O-CE 3.46Å; A205-M240 HydrophobicContact CB-CE 3.9Å; R206-M240 HydrophobicContact CB-CE 4.46Å; R206-M240 HydrophobicContact CB-SD 3.87Å; R206-M240 HydrophobicContact CG-SD 4.38Å; V209-M240 HydrophobicContact CB-CB 4.48Å; V209-M240 HydrophobicContact CG1-CB 4.49Å; V209-M240 HydrophobicContact CG2-CB 3.9Å; A236-M240 HydrophobicContact CB-CE 3.89Å; A236-M240 WeakPolarHBondContact O-CB 3.22Å; A236-M240 WeakPolarHBondContact O-CE 3.27Å; A236-M240 PolarHBondContact O-N 3.22Å; A236-M240 VanDerWaalsContact O-N 3.11Å; F237-M240 PolarHBondContact O-N 3.12Å; M240-K243 PolarHBondContact O-N 3.15Å; M240-E244 WeakPolarHBondContact O-CG 3.49Å; M240-E244 PolarHBondContact O-N 3.2Å
241	A	95.2	Very high	93.3	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-44.4	173	0	0	0	0	0	111.6	V209 F237 K238 K243 E244 G245 I246	V209-A241 HydrophobicContact CG2-CB 4.34Å; F237-A241 HydrophobicContact CE1-CB 4.46Å; F237-A241 WeakPolarHBondContact O-CB 3.47Å; F237-A241 PolarHBondContact O-N 3.27Å; K238-A241 PolarHBondContact O-N 2.91Å; A241-K243 VanDerWaalsContact C-N 3.34Å; A241-K243 PolarHBondContact O-N 3.09Å; A241-E244 CarbonylContact O-C 3.51Å; A241-E244 PolarHBondContact O-N 2.99Å; A241-E244 VanDerWaalsContact O-N 3.14Å; A241-G245 PolarHBondContact O-N 3.08Å; A241-G245 VanDerWaalsContact O-N 3.15Å; A241-I246 HydrophobicContact CB-CB 4.04Å; A241-I246 HydrophobicContact CB-CG2 4.3Å; A241-I246 PolarHBondContact O-N 3.26Å
242	A	92.9	Very high	93.3	Very high	71 Å²	71	38.5 Å²	38.5	59%	0.587	22%	0.221	S	C	*	.	H	α-helix	trans	-61.9	-39.7	177.8	0	0	0	0	0	112.4	K238 D239 E244 G245	K238-A242 WeakPolarHBondContact O-CB 3.05Å; K238-A242 PolarHBondContact O-N 3.44Å; D239-A242 PolarHBondContact O-N 2.84Å; A242-E244 VanDerWaalsContact C-N 3.25Å; A242-E244 PolarHBondContact O-N 3.44Å; A242-G245 PolarHBondContact O-N 3.4Å
243	K	93.9	Very high	93.4	Very high	146 Å²	146	42.9 Å²	42.9	64%	0.635	24%	0.237	S	C	*	.	H	α-helix	trans	-64.1	-27.5	175.5	-73.1	164.6	-177.1	167.2	0	113.6	D239 M240 A241	D239-K243 WeakPolarHBondContact O-CD 3.48Å; D239-K243 WeakPolarHBondContact O-CG 3.48Å; D239-K243 PolarHBondContact O-N 3.09Å; D239-K243 WeakPolarHBondContact OD1-CE 3.21Å; D239-K243 IonicContact OD1-NZ 3.26Å; D239-K243 PolarHBondContact OD1-NZ 3.1Å; D239-K243 WeakPolarHBondContact OD2-CE 3.25Å; D239-K243 IonicContact OD2-NZ 2.7Å; D239-K243 PolarHBondContact OD2-NZ 2.93Å; M240-K243 PolarHBondContact O-N 3.15Å; A241-K243 VanDerWaalsContact C-N 3.34Å; A241-K243 PolarHBondContact O-N 3.09Å
244	E	93.1	Very high	93.4	Very high	62 Å²	62	43.4 Å²	43.4	29%	0.29	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	6.8	178.5	-62.4	-77.2	-154.2	0	0	112.9	R206 V209 K213 M240 A241 A242 I246	R206-E244 IonicContact CZ-OE1 2.82Å; R206-E244 IonicContact NH1-OE1 2.67Å; R206-E244 PolarHBondContact NH1-OE1 3.46Å; R206-E244 IonicContact NH2-OE1 2.64Å; R206-E244 PolarHBondContact NH2-OE1 3.17Å; V209-E244 HydrophobicContact CG1-CB 4.27Å; V209-E244 HydrophobicContact CG1-CG 3.83Å; K213-E244 HydrophobicContact CD-CG 4.34Å; K213-E244 IonicContact NZ-OE1 3.49Å; K213-E244 PolarHBondContact NZ-OE1 3.01Å; K213-E244 IonicContact NZ-OE2 2.68Å; K213-E244 PolarHBondContact NZ-OE2 3.4Å; M240-E244 WeakPolarHBondContact O-CG 3.49Å; M240-E244 PolarHBondContact O-N 3.2Å; A241-E244 CarbonylContact O-C 3.51Å; A241-E244 PolarHBondContact O-N 2.99Å; A241-E244 VanDerWaalsContact O-N 3.14Å; A242-E244 VanDerWaalsContact C-N 3.25Å; A242-E244 PolarHBondContact O-N 3.44Å; E244-I246 HydrophobicContact CB-CD1 4.07Å; E244-I246 HydrophobicContact CB-CG1 4.44Å
245	G	90.1	Very high	92.9	Very high	49 Å²	49	50.2 Å²	50.2	51%	0.505	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	18.1	177.5	0	0	0	0	0	115.1	A241 A242 C536	A241-G245 PolarHBondContact O-N 3.08Å; A241-G245 VanDerWaalsContact O-N 3.15Å; A242-G245 PolarHBondContact O-N 3.4Å; G245-C536 PolarHBondContact O-SG 3.45Å; G245-C536 VanDerWaalsContact O-SG 3.35Å
246	I	95	Very high	92.2	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.067	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-91.3	122.1	-179.5	-60.4	160.1	0	0	0	109.2	V209 V212 V220 A241 E244	V209-I246 HydrophobicContact CG1-CD1 4.17Å; V212-I246 HydrophobicContact CB-CD1 4.35Å; V212-I246 HydrophobicContact CG1-CD1 3.81Å; V212-I246 HydrophobicContact CG1-CG1 4.38Å; V212-I246 HydrophobicContact CG1-CG2 3.97Å; V220-I246 HydrophobicContact CG2-CG2 4.12Å; A241-I246 HydrophobicContact CB-CB 4.04Å; A241-I246 HydrophobicContact CB-CG2 4.3Å; A241-I246 PolarHBondContact O-N 3.26Å; E244-I246 HydrophobicContact CB-CD1 4.07Å; E244-I246 HydrophobicContact CB-CG1 4.44Å
247	C	93.8	Very high	91.5	Very high	12 Å²	12	51.2 Å²	51.2	8%	0.081	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	143.7	178.7	-63.8	0	0	0	0	112.6	S218 Y219 V220 V534 S535 C536	S218-C247 PolarHBondContact O-N 3.45Å; Y219-C247 WeakPolarHBondContact CA-O 3.47Å; Y219-C247 HydrophobicContact CD2-CB 4.05Å; V220-C247 PolarHBondContact N-O 3.03Å; C247-V534 HydrophobicContact CB-CG2 4.22Å; C247-S535 PolarHBondContact SG-OG 3.24Å; C247-S535 VanDerWaalsContact SG-OG 3.34Å; C247-C536 HydrophobicContact CB-CB 3.67Å; C247-C536 WeakPolarHBondContact CB-SG 3.45Å; C247-C536 PolarHBondContact N-SG 3.18Å; C247-C536 WeakPolarHBondContact SG-CB 3.48Å; C247-C536 PolarHBondContact SG-N 2.81Å; C247-C536 CovalentContact SG-SG 2.04Å; C247-C536 PolarHBondContact SG-SG 3.34Å
248	I	94.2	Very high	90.8	Very high	41 Å²	41	52.2 Å²	52.2	21%	0.21	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.7	174.8	-67.1	167.2	0	0	0	109.7	V220 A222 F237 K238 H250	V220-I248 HydrophobicContact CG2-CG1 4.26Å; V220-I248 CarbonylContact O-C 3.53Å; V220-I248 VanDerWaalsContact O-CA 3.31Å; V220-I248 WeakPolarHBondContact O-CA 3.21Å; A222-I248 HydrophobicContact CB-CD1 4.33Å; A222-I248 HydrophobicContact CB-CG1 4.49Å; A222-I248 HydrophobicContact CB-CG2 3.73Å; F237-I248 HydrophobicContact CD1-CD1 4.36Å; F237-I248 HydrophobicContact CE1-CD1 4.24Å; K238-I248 HydrophobicContact CB-CD1 4.25Å; K238-I248 HydrophobicContact CG-CD1 3.58Å; I248-H250 WeakPolarHBondContact CG2-O 3.42Å
249	A	91.7	Very high	90.3	Very high	17 Å²	17	52.5 Å²	52.5	14%	0.14	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	-43.6	-178.1	0	0	0	0	0	112.6	Y219 V220 H273 A277	Y219-A249 HydrophobicContact CD1-CB 4.19Å; Y219-A249 HydrophobicContact CD2-CB 4.18Å; Y219-A249 HydrophobicContact CE1-CB 3.61Å; Y219-A249 HydrophobicContact CE2-CB 3.61Å; Y219-A249 HydrophobicContact CG-CB 4.45Å; Y219-A249 WeakPolarHBondContact OH-CB 3.49Å; V220-A249 WeakPolarHBondContact O-CB 3.4Å; V220-A249 PolarHBondContact O-N 3.27Å; A249-H273 HydrophobicContact CB-CB 4.3Å; A249-H273 PolarHBondContact O-CE1 2.04Å; A249-A277 HydrophobicContact CB-CB 3.63Å
250	H	91	Very high	90	Very high	46 Å²	46	54.4 Å²	54.4	21%	0.213	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	141.2	176.9	-169.9	65.7	0	0	0	109	A222 I248	A222-H250 PolarHBondContact N-O 3.03Å; I248-H250 WeakPolarHBondContact CG2-O 3.42Å
251	S	92	Very high	89.8	Confident	53 Å²	53	60.4 Å²	60.4	37%	0.371	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	105.7	170.9	-174.1	0	0	0	0	108.5	A222 K238	A222-S251 CarbonylContact O-C 3.6Å; A222-S251 WeakPolarHBondContact O-CA 3.42Å; K238-S251 WeakPolarHBondContact CE-OG 3.46Å
252	G	91.5	Very high	89.6	Confident	3 Å²	3	62.3 Å²	62.3	3%	0.031	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.3	177.7	0	0	0	0	0	112.2	A222 I223 H224	A222-G252 PolarHBondContact O-N 2.92Å; I223-G252 CarbonylContact C-O 3.59Å; I223-G252 VanDerWaalsContact CA-O 3.28Å; I223-G252 WeakPolarHBondContact CA-O 3.45Å; H224-G252 PolarHBondContact CD2-O 2.83Å; H224-G252 PolarHBondContact N-O 3.44Å
253	K	92.6	Very high	89.6	Confident	111 Å²	111	59.1 Å²	59.1	48%	0.483	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.7	165.7	82.2	167.1	-173.4	158.4	0	111.5	H224 E226 E231	H224-K253 WeakPolarHBondContact CE1-CB 3.48Å; E226-K253 IonicContact OE1-NZ 3.58Å; E226-K253 PolarHBondContact OE1-NZ 3.06Å; E226-K253 WeakPolarHBondContact OE2-CD 3.31Å; E226-K253 WeakPolarHBondContact OE2-CE 3.09Å; E226-K253 IonicContact OE2-NZ 3.45Å; E226-K253 PolarHBondContact OE2-NZ 3.08Å; E231-K253 IonicContact OE1-NZ 3.81Å
254	I	91.1	Very high	89.6	Confident	11 Å²	11	53.2 Å²	53.2	6%	0.056	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	146	180	-168.5	154.8	0	0	0	111.5	H224 T225 E226 A258 F263 L266 T288	H224-I254 PolarHBondContact O-N 2.74Å; T225-I254 CarbonylContact C-O 3.54Å; T225-I254 VanDerWaalsContact CA-O 3.31Å; T225-I254 WeakPolarHBondContact CA-O 3.39Å; E226-I254 PolarHBondContact N-O 3.42Å; I254-A258 HydrophobicContact CD1-CB 4.37Å; I254-A258 HydrophobicContact CG1-CB 3.91Å; I254-F263 HydrophobicContact CD1-CB 4.37Å; I254-F263 HydrophobicContact CD1-CD1 3.58Å; I254-F263 HydrophobicContact CD1-CD2 3.8Å; I254-F263 HydrophobicContact CD1-CE1 3.63Å; I254-F263 HydrophobicContact CD1-CE2 3.86Å; I254-F263 HydrophobicContact CD1-CG 3.65Å; I254-F263 HydrophobicContact CD1-CZ 3.76Å; I254-F263 HydrophobicContact CG1-CE1 4.08Å; I254-F263 HydrophobicContact CG1-CE2 4.18Å; I254-F263 HydrophobicContact CG1-CZ 3.89Å; I254-F263 HydrophobicContact CG2-CE1 4.05Å; I254-F263 HydrophobicContact CG2-CZ 4.38Å; I254-L266 HydrophobicContact CB-CD2 4.28Å; I254-L266 HydrophobicContact CD1-CD2 4.01Å; I254-L266 HydrophobicContact CG2-CD2 4Å; I254-T288 HydrophobicContact CG2-CG2 3.64Å
255	W	84.2	Confident	89.6	Confident	143 Å²	143	57.7 Å²	57.7	54%	0.542	31%	0.311	S	S	.	.			trans	-76.9	144.1	173.9	-62.4	80.4	0	0	0	111.1	E226 N257 A258	E226-W255 HydrophobicContact CB-CD2 3.97Å; E226-W255 HydrophobicContact CB-CE3 4.26Å; E226-W255 HydrophobicContact CB-CG 4.24Å; E226-W255 HydrophobicContact CB-CZ2 4.47Å; E226-W255 VanDerWaalsContact CD-CZ2 3.42Å; E226-W255 HydrophobicContact CG-CD2 4.13Å; E226-W255 HydrophobicContact CG-CE3 4.45Å; E226-W255 HydrophobicContact CG-CH2 4.08Å; E226-W255 HydrophobicContact CG-CZ2 3.73Å; E226-W255 HydrophobicContact CG-CZ3 4.43Å; E226-W255 VanDerWaalsContact OE1-CZ2 3.24Å; E226-W255 WeakPolarHBondContact OE1-CZ2 3.28Å; E226-W255 PolarHBondContact OE2-NE1 2.91Å; E226-W255 VanDerWaalsContact OE2-NE1 3.15Å; W255-N257 VanDerWaalsContact CB-OD1 3.3Å; W255-N257 WeakPolarHBondContact CB-OD1 3.45Å; W255-N257 PolarHBondContact O-N 3.34Å; W255-A258 HydrophobicContact CB-CB 4.19Å; W255-A258 WeakPolarHBondContact O-CB 3.3Å; W255-A258 PolarHBondContact O-N 3.16Å; W255-A258 VanDerWaalsContact O-N 3.13Å
256	S	80.8	Confident	89.8	Confident	28 Å²	28	55.9 Å²	55.9	20%	0.196	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.3	178.8	53	0	0	0	0	113.6	E285 T288 N291	S256-E285 VanDerWaalsContact CB-OE2 3.24Å; S256-E285 WeakPolarHBondContact CB-OE2 3.4Å; S256-E285 PolarHBondContact OG-OE2 3.13Å; S256-T288 WeakPolarHBondContact CA-OG1 3.42Å; S256-T288 VanDerWaalsContact CB-OG1 3.24Å; S256-T288 WeakPolarHBondContact CB-OG1 3.23Å; S256-N291 PolarHBondContact O-ND2 3.3Å
257	N	77.9	Confident	89.7	Confident	113 Å²	113	55.5 Å²	55.5	60%	0.604	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	10.6	174.9	69.3	-16.8	0	0	0	114.6	W255	W255-N257 VanDerWaalsContact CB-OD1 3.3Å; W255-N257 WeakPolarHBondContact CB-OD1 3.45Å; W255-N257 PolarHBondContact O-N 3.34Å
258	A	82.1	Confident	89.6	Confident	22 Å²	22	60 Å²	60	18%	0.182	31%	0.31	C	S	.	.			trans	-67.9	143.7	-175.1	0	0	0	0	0	113.1	I254 W255 S262 F263	I254-A258 HydrophobicContact CD1-CB 4.37Å; I254-A258 HydrophobicContact CG1-CB 3.91Å; W255-A258 HydrophobicContact CB-CB 4.19Å; W255-A258 WeakPolarHBondContact O-CB 3.3Å; W255-A258 PolarHBondContact O-N 3.16Å; W255-A258 VanDerWaalsContact O-N 3.13Å; A258-S262 WeakPolarHBondContact CB-OG 3.29Å; A258-F263 HydrophobicContact CB-CD2 4.43Å; A258-F263 HydrophobicContact CB-CE2 3.86Å; A258-F263 VanDerWaalsContact O-CE2 3.28Å; A258-F263 WeakPolarHBondContact O-CE2 3.37Å
259	G	82.7	Confident	89.6	Confident	55 Å²	55	64.4 Å²	64.4	57%	0.567	32%	0.324	S	S	*	.			trans	-66.1	151.8	-179.9	0	0	0	0	0	113.5	Q261 S262	G259-Q261 PolarHBondContact O-N 2.74Å; G259-S262 WeakPolarHBondContact O-CB 3.42Å; G259-S262 PolarHBondContact O-N 2.9Å; G259-S262 PolarHBondContact O-OG 3.5Å
260	E	89.9	Confident	89.7	Confident	116 Å²	116	63.8 Å²	63.8	54%	0.542	32%	0.318	S	S	.	.	H	α-helix	trans	-48.6	-39.3	-170.2	-63.5	-165.1	128.6	0	0	114.9	S262 F263 D264 R298	E260-S262 PolarHBondContact O-N 3.1Å; E260-S262 VanDerWaalsContact O-N 3.14Å; E260-F263 PolarHBondContact O-N 2.79Å; E260-D264 WeakPolarHBondContact O-CB 3.47Å; E260-D264 PolarHBondContact O-N 3.4Å; E260-R298 VanDerWaalsContact CD-NH1 3.27Å; E260-R298 IonicContact OE1-CZ 3.5Å; E260-R298 IonicContact OE1-NE 3.56Å; E260-R298 IonicContact OE1-NH1 3.31Å; E260-R298 PolarHBondContact OE1-NH1 2.93Å
261	Q	89.7	Confident	89.8	Confident	155 Å²	155	66 Å²	66	72%	0.724	33%	0.328	S	S	*	.	H	α-helix	trans	-59.4	-25.6	-180	-60.2	-174.4	11.8	0	0	113.5	G259 R265	G259-Q261 PolarHBondContact O-N 2.74Å; Q261-R265 VanDerWaalsContact O-CB 3.3Å; Q261-R265 WeakPolarHBondContact O-CB 3.38Å; Q261-R265 PolarHBondContact O-N 3.27Å; Q261-R265 VanDerWaalsContact O-N 3.07Å
262	S	91.4	Very high	89.8	Confident	42 Å²	42	67.3 Å²	67.3	29%	0.294	34%	0.342	S	S	.	.	H	α-helix	trans	-77.2	-44.6	177.4	68.2	0	0	0	0	112	A258 G259 E260 D264 R265 L266	A258-S262 WeakPolarHBondContact CB-OG 3.29Å; G259-S262 WeakPolarHBondContact O-CB 3.42Å; G259-S262 PolarHBondContact O-N 2.9Å; G259-S262 PolarHBondContact O-OG 3.5Å; E260-S262 PolarHBondContact O-N 3.1Å; E260-S262 VanDerWaalsContact O-N 3.14Å; S262-D264 VanDerWaalsContact C-N 3.34Å; S262-R265 PolarHBondContact O-N 3.25Å; S262-L266 WeakPolarHBondContact O-CB 3.5Å; S262-L266 PolarHBondContact O-N 2.8Å
263	F	93.1	Very high	89.8	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-62.5	-41.4	172	-75.4	-83.5	0	0	0	111.3	I254 A258 E260 R265 L266 L267 T288 N291 I292 A295	I254-F263 HydrophobicContact CD1-CB 4.37Å; I254-F263 HydrophobicContact CD1-CD1 3.58Å; I254-F263 HydrophobicContact CD1-CD2 3.8Å; I254-F263 HydrophobicContact CD1-CE1 3.63Å; I254-F263 HydrophobicContact CD1-CE2 3.86Å; I254-F263 HydrophobicContact CD1-CG 3.65Å; I254-F263 HydrophobicContact CD1-CZ 3.76Å; I254-F263 HydrophobicContact CG1-CE1 4.08Å; I254-F263 HydrophobicContact CG1-CE2 4.18Å; I254-F263 HydrophobicContact CG1-CZ 3.89Å; I254-F263 HydrophobicContact CG2-CE1 4.05Å; I254-F263 HydrophobicContact CG2-CZ 4.38Å; A258-F263 HydrophobicContact CB-CD2 4.43Å; A258-F263 HydrophobicContact CB-CE2 3.86Å; A258-F263 VanDerWaalsContact O-CE2 3.28Å; A258-F263 WeakPolarHBondContact O-CE2 3.37Å; E260-F263 PolarHBondContact O-N 2.79Å; F263-R265 VanDerWaalsContact C-N 3.32Å; F263-R265 PolarHBondContact O-N 3.27Å; F263-L266 PolarHBondContact O-N 3.4Å; F263-L267 WeakPolarHBondContact O-CB 3.42Å; F263-L267 PolarHBondContact O-N 3.5Å; F263-T288 HydrophobicContact CE1-CG2 3.9Å; F263-T288 HydrophobicContact CZ-CG2 4.21Å; F263-N291 HydrophobicContact CD1-CB 3.8Å; F263-N291 HydrophobicContact CD2-CB 3.88Å; F263-N291 HydrophobicContact CE1-CB 3.52Å; F263-N291 HydrophobicContact CE2-CB 3.59Å; F263-N291 HydrophobicContact CG-CB 3.99Å; F263-N291 HydrophobicContact CZ-CB 3.42Å; F263-N291 VanDerWaalsContact CZ-CB 3.42Å; F263-I292 HydrophobicContact CD1-CG1 3.77Å; F263-I292 HydrophobicContact CE1-CG1 3.92Å; F263-A295 HydrophobicContact CB-CB 4.03Å
264	D	94.1	Very high	89.7	Confident	21 Å²	21	65.8 Å²	65.8	11%	0.112	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-39.3	173.4	-80.2	18.5	0	0	0	112	E260 S262 L268 R298 K299	E260-D264 WeakPolarHBondContact O-CB 3.47Å; E260-D264 PolarHBondContact O-N 3.4Å; S262-D264 VanDerWaalsContact C-N 3.34Å; D264-L268 VanDerWaalsContact O-CG 3.31Å; D264-L268 WeakPolarHBondContact O-CG 3.39Å; D264-L268 PolarHBondContact O-N 2.88Å; D264-L268 VanDerWaalsContact O-N 3.11Å; D264-R298 IonicContact OD1-CZ 3.77Å; D264-R298 VanDerWaalsContact OD1-CZ 3.32Å; D264-R298 IonicContact OD1-NE 2.71Å; D264-R298 PolarHBondContact OD1-NE 3.18Å; D264-R298 IonicContact OD1-NH2 3.63Å; D264-R298 PolarHBondContact OD1-NH2 2.81Å; D264-R298 IonicContact OD2-NE 3.54Å; D264-K299 VanDerWaalsContact CG-CE 3.49Å; D264-K299 WeakPolarHBondContact OD2-CE 3.46Å; D264-K299 IonicContact OD2-NZ 3.21Å; D264-K299 PolarHBondContact OD2-NZ 2.92Å
265	R	93.5	Very high	89.7	Confident	156 Å²	156	70.2 Å²	70.2	59%	0.589	37%	0.366	S	S	*	.	H	α-helix	trans	-71	-38.4	176.2	-170.7	-175	-59.2	-173.4	1.5	112.4	Q261 S262 F263 L268 R269	Q261-R265 VanDerWaalsContact O-CB 3.3Å; Q261-R265 WeakPolarHBondContact O-CB 3.38Å; Q261-R265 PolarHBondContact O-N 3.27Å; Q261-R265 VanDerWaalsContact O-N 3.07Å; S262-R265 PolarHBondContact O-N 3.25Å; F263-R265 VanDerWaalsContact C-N 3.32Å; F263-R265 PolarHBondContact O-N 3.27Å; R265-L268 PolarHBondContact O-N 2.81Å; R265-R269 PolarHBondContact O-N 3.44Å
266	L	93.8	Very high	90.1	Very high	11 Å²	11	68.1 Å²	68.1	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-48.4	173.1	174.3	61.2	0	0	0	110.5	I223 I254 S262 F263 L268 R269 L270	I223-L266 HydrophobicContact CD1-CD2 4.45Å; I223-L266 HydrophobicContact CG2-CD2 4.04Å; I254-L266 HydrophobicContact CB-CD2 4.28Å; I254-L266 HydrophobicContact CD1-CD2 4.01Å; I254-L266 HydrophobicContact CG2-CD2 4Å; S262-L266 WeakPolarHBondContact O-CB 3.5Å; S262-L266 PolarHBondContact O-N 2.8Å; F263-L266 PolarHBondContact O-N 3.4Å; L266-L268 VanDerWaalsContact C-N 3.33Å; L266-L268 PolarHBondContact O-N 3Å; L266-R269 WeakPolarHBondContact O-CB 3.23Å; L266-R269 PolarHBondContact O-N 3.33Å; L266-R269 VanDerWaalsContact O-N 3.1Å; L266-L270 HydrophobicContact CD1-CD1 4.46Å; L266-L270 HydrophobicContact CG-CD1 4.24Å; L266-L270 WeakPolarHBondContact O-CG 3.13Å; L266-L270 PolarHBondContact O-N 2.95Å
267	L	92.9	Very high	90.7	Very high	6 Å²	6	66.8 Å²	66.8	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-63.7	-35.8	179.3	-172.4	63.9	0	0	0	112.9	F263 L270 K271 A295 M296 K299 V301 F305	F263-L267 WeakPolarHBondContact O-CB 3.42Å; F263-L267 PolarHBondContact O-N 3.5Å; L267-L270 HydrophobicContact CD1-CD1 4.45Å; L267-L270 PolarHBondContact O-N 2.98Å; L267-K271 WeakPolarHBondContact O-CB 3.3Å; L267-K271 PolarHBondContact O-N 3.18Å; L267-A295 VanDerWaalsContact CD2-C 3.45Å; L267-A295 HydrophobicContact CD2-CB 4.04Å; L267-A295 WeakPolarHBondContact CD2-O 3.49Å; L267-M296 HydrophobicContact CD1-CG 3.97Å; L267-M296 HydrophobicContact CD2-CB 4.46Å; L267-M296 HydrophobicContact CD2-CG 4Å; L267-K299 HydrophobicContact CD2-CB 3.88Å; L267-K299 HydrophobicContact CD2-CG 4.05Å; L267-V301 HydrophobicContact CD2-CB 4.31Å; L267-V301 HydrophobicContact CD2-CG2 4.18Å; L267-F305 HydrophobicContact CD1-CD2 4.19Å; L267-F305 HydrophobicContact CD1-CE2 3.73Å
268	L	92.4	Very high	91.5	Very high	106 Å²	106	64.4 Å²	64.4	56%	0.555	33%	0.334	S	S	*	.	H	α-helix	trans	-64.5	-36.1	172.7	-75	169.5	0	0	0	112.8	D264 R265 L266 A272	D264-L268 VanDerWaalsContact O-CG 3.31Å; D264-L268 WeakPolarHBondContact O-CG 3.39Å; D264-L268 PolarHBondContact O-N 2.88Å; D264-L268 VanDerWaalsContact O-N 3.11Å; R265-L268 PolarHBondContact O-N 2.81Å; L266-L268 VanDerWaalsContact C-N 3.33Å; L266-L268 PolarHBondContact O-N 3Å; L268-A272 PolarHBondContact O-N 3.31Å
269	R	93.1	Very high	92.2	Very high	134 Å²	134	63.3 Å²	63.3	51%	0.506	33%	0.325	S	S	.	.	H	α-helix	trans	-65.8	-47.9	173	-69.9	173.6	177.3	172.6	-2.3	111.4	R265 L266 K271 A272 H273	R265-R269 PolarHBondContact O-N 3.44Å; L266-R269 WeakPolarHBondContact O-CB 3.23Å; L266-R269 PolarHBondContact O-N 3.33Å; L266-R269 VanDerWaalsContact O-N 3.1Å; R269-K271 VanDerWaalsContact C-N 3.29Å; R269-K271 PolarHBondContact O-N 3.34Å; R269-A272 VanDerWaalsContact O-CB 3.31Å; R269-A272 WeakPolarHBondContact O-CB 3.19Å; R269-A272 PolarHBondContact O-N 3.35Å; R269-A272 VanDerWaalsContact O-N 3.09Å; R269-H273 PolarHBondContact O-CD2 2.79Å
270	L	93.6	Very high	92.8	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-42.9	177	-62.7	165.4	0	0	0	111.3	I223 L266 L267 A272 H273 F305	I223-L270 HydrophobicContact CD1-CD1 3.52Å; I223-L270 HydrophobicContact CD1-CD2 4.28Å; I223-L270 HydrophobicContact CG1-CD1 4.35Å; I223-L270 HydrophobicContact CG1-CD2 4.29Å; L266-L270 HydrophobicContact CD1-CD1 4.46Å; L266-L270 HydrophobicContact CG-CD1 4.24Å; L266-L270 WeakPolarHBondContact O-CG 3.13Å; L266-L270 PolarHBondContact O-N 2.95Å; L267-L270 HydrophobicContact CD1-CD1 4.45Å; L267-L270 PolarHBondContact O-N 2.98Å; L270-A272 PolarHBondContact O-N 3.05Å; L270-H273 PolarHBondContact O-N 2.95Å; L270-F305 HydrophobicContact CB-CE1 4.28Å; L270-F305 HydrophobicContact CB-CE2 4.29Å; L270-F305 HydrophobicContact CB-CZ 3.7Å
271	K	93.1	Very high	93.2	Very high	93 Å²	93	55.3 Å²	55.3	40%	0.404	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-24.5	178.6	-175.5	158.1	-174.3	162.6	0	113.3	L267 R269 H273 L274 V301	L267-K271 WeakPolarHBondContact O-CB 3.3Å; L267-K271 PolarHBondContact O-N 3.18Å; R269-K271 VanDerWaalsContact C-N 3.29Å; R269-K271 PolarHBondContact O-N 3.34Å; K271-H273 PolarHBondContact O-N 3.47Å; K271-L274 HydrophobicContact CG-CD1 4.35Å; K271-L274 PolarHBondContact O-N 3.48Å; K271-V301 HydrophobicContact CD-CG2 4.19Å
272	A	92.4	Very high	93.4	Very high	81 Å²	81	48 Å²	48	67%	0.669	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.4	174.3	0	0	0	0	0	113.9	L268 R269 L270	L268-A272 PolarHBondContact O-N 3.31Å; R269-A272 VanDerWaalsContact O-CB 3.31Å; R269-A272 WeakPolarHBondContact O-CB 3.19Å; R269-A272 PolarHBondContact O-N 3.35Å; R269-A272 VanDerWaalsContact O-N 3.09Å; L270-A272 PolarHBondContact O-N 3.05Å
273	H	92	Very high	93.6	Very high	48 Å²	48	46 Å²	46	22%	0.222	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-0.8	176.5	-60.3	-93.6	0	0	0	113.6	Y219 A249 R269 L270 K271 K276 A277	Y219-H273 PolarHBondContact OH-ND1 3.34Å; A249-H273 HydrophobicContact CB-CB 4.3Å; A249-H273 PolarHBondContact O-CE1 2.04Å; R269-H273 PolarHBondContact O-CD2 2.79Å; L270-H273 PolarHBondContact O-N 2.95Å; K271-H273 PolarHBondContact O-N 3.47Å; H273-K276 WeakPolarHBondContact O-CB 3.35Å; H273-K276 PolarHBondContact O-N 3.1Å; H273-A277 HydrophobicContact CB-CB 3.97Å; H273-A277 PolarHBondContact O-N 3.47Å
274	L	90.9	Very high	93.5	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.178	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	146.8	171.4	-74.3	175.8	0	0	0	111	K271 R278 E304 F305	K271-L274 HydrophobicContact CG-CD1 4.35Å; K271-L274 PolarHBondContact O-N 3.48Å; L274-R278 HydrophobicContact CD2-CB 4.47Å; L274-R278 HydrophobicContact CD2-CG 3.85Å; L274-E304 HydrophobicContact CD1-CB 4.07Å; L274-F305 HydrophobicContact CD1-CE1 3.87Å; L274-F305 HydrophobicContact CD1-CE2 4.05Å; L274-F305 HydrophobicContact CD1-CZ 3.59Å; L274-F305 HydrophobicContact CD2-CD1 3.95Å; L274-F305 HydrophobicContact CD2-CE1 3.57Å; L274-F305 HydrophobicContact CD2-CZ 4.18Å; L274-F305 HydrophobicContact CG-CD1 4.42Å; L274-F305 HydrophobicContact CG-CE1 3.62Å; L274-F305 HydrophobicContact CG-CZ 3.75Å
275	P	91.2	Very high	93.1	Very high	104 Å²	104	47.2 Å²	47.2	68%	0.675	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88	9.2	-1.1	36.7	-36.7	0	0	0	113.9	R278	P275-R278 WeakPolarHBondContact O-CG 3.48Å
276	K	91.1	Very high	92.8	Very high	98 Å²	98	39.9 Å²	39.9	43%	0.426	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-45.8	-174.4	-65.5	-170.5	171.2	-145.1	0	113.2	Y219 H273 S515 V516 C517	Y219-K276 HydrophobicContact CD1-CB 3.82Å; Y219-K276 HydrophobicContact CE1-CB 3.79Å; H273-K276 WeakPolarHBondContact O-CB 3.35Å; H273-K276 PolarHBondContact O-N 3.1Å; K276-S515 CarbonylContact O-C 3.6Å; K276-S515 WeakPolarHBondContact O-CA 3.32Å; K276-V516 PolarHBondContact O-N 3.02Å; K276-V516 VanDerWaalsContact O-N 3.08Å; K276-C517 WeakPolarHBondContact CD-O 3.08Å; K276-C517 VanDerWaalsContact CE-O 3.3Å; K276-C517 WeakPolarHBondContact CE-O 3.05Å; K276-C517 PolarHBondContact NZ-O 3.24Å
277	A	93.9	Very high	92.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.			trans	-107.8	91.3	177	0	0	0	0	0	109.9	Y219 A249 H273	Y219-A277 HydrophobicContact CD1-CB 3.78Å; Y219-A277 HydrophobicContact CE1-CB 3.89Å; A249-A277 HydrophobicContact CB-CB 3.63Å; H273-A277 HydrophobicContact CB-CB 3.97Å; H273-A277 PolarHBondContact O-N 3.47Å
278	R	94.6	Very high	92.3	Very high	63 Å²	63	43.2 Å²	43.2	24%	0.238	22%	0.219	C	C	.	.			trans	-92.4	-26.6	177.1	-63.7	-164.6	62	-159.4	-5.3	113	L274 P275 G303 E304 F305 L306 I513 S515	L274-R278 HydrophobicContact CD2-CB 4.47Å; L274-R278 HydrophobicContact CD2-CG 3.85Å; P275-R278 WeakPolarHBondContact O-CG 3.48Å; R278-G303 PolarHBondContact NH2-O 3.2Å; R278-E304 PolarHBondContact NE-O 3.17Å; R278-E304 PolarHBondContact NH2-O 3.25Å; R278-F305 CarbonylContact O-C 3.59Å; R278-F305 VanDerWaalsContact O-CA 3.3Å; R278-F305 WeakPolarHBondContact O-CA 3.31Å; R278-L306 PolarHBondContact O-N 3.25Å; R278-I513 HydrophobicContact CB-CG2 3.57Å; R278-I513 HydrophobicContact CG-CG2 4.3Å; R278-S515 PolarHBondContact N-OG 2.93Å
279	V	96.3	Very high	92.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	135.6	178.9	175.3	0	0	0	0	109.8	W217 V220 S221 L306 V308 S515	W217-V279 HydrophobicContact CD2-CB 4.46Å; W217-V279 HydrophobicContact CD2-CG1 4.43Å; W217-V279 HydrophobicContact CD2-CG2 3.63Å; W217-V279 HydrophobicContact CE3-CB 4.29Å; W217-V279 HydrophobicContact CE3-CG1 3.78Å; W217-V279 HydrophobicContact CE3-CG2 3.77Å; W217-V279 HydrophobicContact CG-CG2 4.14Å; W217-V279 HydrophobicContact CH2-CG2 4.21Å; W217-V279 HydrophobicContact CZ2-CG2 4.04Å; W217-V279 HydrophobicContact CZ3-CG1 3.98Å; W217-V279 HydrophobicContact CZ3-CG2 4.08Å; V220-V279 HydrophobicContact CB-CB 4.49Å; V220-V279 HydrophobicContact CB-CG1 4.49Å; V220-V279 HydrophobicContact CG1-CB 4.04Å; V220-V279 HydrophobicContact CG1-CG1 4.05Å; S221-V279 PolarHBondContact N-O 3.06Å; V279-L306 WeakPolarHBondContact CA-O 3.44Å; V279-L306 HydrophobicContact CG2-CB 4.3Å; V279-L306 HydrophobicContact CG2-CD2 4.16Å; V279-V308 HydrophobicContact CG1-CG2 3.8Å; V279-S515 PolarHBondContact N-OG 2.99Å; V279-S515 VanDerWaalsContact N-OG 3.11Å
280	V	96.5	Very high	92.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	108.4	-178.1	-170.4	0	0	0	0	109.1	S221 I223 F305 L306 L307 V308	S221-V280 CarbonylContact O-C 3.53Å; S221-V280 WeakPolarHBondContact O-CA 3.26Å; I223-V280 HydrophobicContact CD1-CG1 3.43Å; I223-V280 VanDerWaalsContact CD1-CG1 3.43Å; I223-V280 HydrophobicContact CG1-CG1 3.7Å; V280-F305 HydrophobicContact CG2-CB 4.05Å; V280-F305 HydrophobicContact CG2-CD1 3.61Å; V280-F305 HydrophobicContact CG2-CE1 4.28Å; V280-F305 HydrophobicContact CG2-CG 3.98Å; V280-L306 PolarHBondContact N-O 3.44Å; V280-L307 HydrophobicContact CB-CD2 3.96Å; V280-L307 HydrophobicContact CG1-CD2 4.37Å; V280-L307 HydrophobicContact CG2-CD2 4.39Å; V280-V308 PolarHBondContact O-N 2.88Å
281	A	96.9	Very high	92.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.5	175	0	0	0	0	0	110.2	M208 S221 A222 I223 F237 V308	M208-A281 HydrophobicContact CE-CB 3.95Å; S221-A281 PolarHBondContact O-N 2.95Å; A222-A281 CarbonylContact C-O 3.39Å; A222-A281 WeakPolarHBondContact CA-O 3.41Å; I223-A281 PolarHBondContact N-O 3.02Å; F237-A281 HydrophobicContact CD1-CB 4.48Å; F237-A281 HydrophobicContact CE1-CB 3.76Å; F237-A281 HydrophobicContact CE2-CB 4.25Å; F237-A281 HydrophobicContact CZ-CB 3.62Å; A281-V308 CarbonylContact C-O 3.51Å; A281-V308 VanDerWaalsContact CA-O 3.31Å; A281-V308 WeakPolarHBondContact CA-O 3.48Å
282	C	95.4	Very high	92.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	98.3	-170.6	-73.9	0	0	0	0	112.8	I223 C284 V308 G309 S310	I223-C282 WeakPolarHBondContact O-CA 3.33Å; C282-C284 VanDerWaalsContact C-N 3.29Å; C282-C284 HydrophobicContact CB-CB 4.35Å; C282-C284 PolarHBondContact O-N 3.42Å; C282-V308 PolarHBondContact N-O 3.44Å; C282-G309 WeakPolarHBondContact O-CA 3.36Å; C282-S310 PolarHBondContact O-N 3.26Å; C282-S310 PolarHBondContact O-OG 2.9Å
283	F	94.3	Very high	92.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	71.8	165.9	-89.9	-86.9	0	0	0	109.8	Q204 A205 M208 I223 H224 T225 G230 M234 F237	Q204-F283 HydrophobicContact CG-CE1 4.37Å; Q204-F283 HydrophobicContact CG-CZ 4.45Å; A205-F283 HydrophobicContact CB-CE2 4.32Å; A205-F283 HydrophobicContact CB-CZ 3.81Å; M208-F283 HydrophobicContact CE-CD2 4.04Å; M208-F283 HydrophobicContact CE-CE2 3.72Å; M208-F283 HydrophobicContact SD-CD2 4.04Å; M208-F283 HydrophobicContact SD-CE1 4.45Å; M208-F283 HydrophobicContact SD-CE2 3.32Å; M208-F283 WeakPolarHBondContact SD-CE2 3.26Å; M208-F283 HydrophobicContact SD-CZ 3.55Å; M208-F283 VanDerWaalsContact SD-CZ 3.55Å; I223-F283 PolarHBondContact O-N 2.96Å; H224-F283 CarbonylContact C-O 3.4Å; H224-F283 WeakPolarHBondContact CA-O 3.46Å; H224-F283 HydrophobicContact CB-CB 4.12Å; H224-F283 WeakPolarHBondContact CB-O 3.44Å; T225-F283 PolarHBondContact N-O 2.97Å; G230-F283 WeakPolarHBondContact CA-O 3.45Å; M234-F283 HydrophobicContact CB-CB 4.3Å; M234-F283 HydrophobicContact CE-CB 4.2Å; M234-F283 HydrophobicContact CE-CD2 4.01Å; F237-F283 HydrophobicContact CB-CD2 4.34Å; F237-F283 HydrophobicContact CB-CE2 3.86Å; F237-F283 HydrophobicContact CD2-CE2 4.26Å; F237-F283 HydrophobicContact CG-CE2 4.24Å
284	C	91.3	Very high	92.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.			trans	-131.3	138.6	-164.6	-71.1	0	0	0	0	112.6	T225 C282 T288 V289 S310	T225-C284 VanDerWaalsContact OG1-CA 3.32Å; T225-C284 WeakPolarHBondContact OG1-CA 3.08Å; C282-C284 VanDerWaalsContact C-N 3.29Å; C282-C284 HydrophobicContact CB-CB 4.35Å; C282-C284 PolarHBondContact O-N 3.42Å; C284-T288 HydrophobicContact CB-CG2 4.2Å; C284-V289 HydrophobicContact CB-CG2 3.69Å; C284-S310 PolarHBondContact N-OG 2.85Å
285	E	86.9	Confident	92.8	Very high	51 Å²	51	25.3 Å²	25.3	24%	0.238	13%	0.125	C	C	.	.			trans	-62.2	149.5	165.6	-62.8	-171.3	135.6	0	0	110.5	T225 Y229 S256 M287 T288 V289	T225-E285 HydrophobicContact CG2-CG 4.23Å; T225-E285 PolarHBondContact OG1-N 3.35Å; Y229-E285 HydrophobicContact CD1-CG 4.49Å; S256-E285 VanDerWaalsContact CB-OE2 3.24Å; S256-E285 WeakPolarHBondContact CB-OE2 3.4Å; S256-E285 PolarHBondContact OG-OE2 3.13Å; E285-M287 PolarHBondContact O-N 2.71Å; E285-M287 VanDerWaalsContact O-N 3.11Å; E285-T288 WeakPolarHBondContact O-CA 3.03Å; E285-T288 VanDerWaalsContact O-CB 3.28Å; E285-T288 WeakPolarHBondContact O-CB 3.46Å; E285-T288 PolarHBondContact O-N 2.93Å; E285-V289 PolarHBondContact O-N 3.48Å; E285-V289 VanDerWaalsContact O-N 3.07Å
286	G	86.8	Confident	92.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-56.6	-30.4	-178.3	0	0	0	0	0	115	V289 R290 G312 V319	G286-V289 PolarHBondContact O-N 3.14Å; G286-R290 WeakPolarHBondContact O-CB 3.04Å; G286-R290 PolarHBondContact O-N 2.95Å; G286-G312 WeakPolarHBondContact CA-O 3.35Å; G286-G312 PolarHBondContact N-O 3.33Å; G286-V319 WeakPolarHBondContact O-CG1 3.31Å; G286-V319 WeakPolarHBondContact O-CG2 3.47Å
287	M	85.2	Confident	93.1	Very high	87 Å²	87	19.9 Å²	19.9	43%	0.429	9%	0.091	S	C	.	.	H	α-helix	trans	-68.1	-39.1	174	-65.9	-52.2	-57.4	0	0	112.1	E285 V289 R290 N291	E285-M287 PolarHBondContact O-N 2.71Å; E285-M287 VanDerWaalsContact O-N 3.11Å; M287-V289 VanDerWaalsContact C-N 3.33Å; M287-R290 PolarHBondContact O-N 3.39Å; M287-N291 WeakPolarHBondContact O-CB 3.43Å; M287-N291 PolarHBondContact O-N 3.26Å; M287-N291 PolarHBondContact O-ND2 2.87Å
288	T	91	Very high	93.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.6	-42.8	172.4	-50.1	0	0	0	0	110.7	T225 I254 S256 F263 C284 E285 N291 I292	T225-T288 WeakPolarHBondContact OG1-CB 3.49Å; T225-T288 WeakPolarHBondContact OG1-CG2 3.43Å; T225-T288 PolarHBondContact OG1-OG1 3.28Å; I254-T288 HydrophobicContact CG2-CG2 3.64Å; S256-T288 WeakPolarHBondContact CA-OG1 3.42Å; S256-T288 VanDerWaalsContact CB-OG1 3.24Å; S256-T288 WeakPolarHBondContact CB-OG1 3.23Å; F263-T288 HydrophobicContact CE1-CG2 3.9Å; F263-T288 HydrophobicContact CZ-CG2 4.21Å; C284-T288 HydrophobicContact CB-CG2 4.2Å; E285-T288 WeakPolarHBondContact O-CA 3.03Å; E285-T288 VanDerWaalsContact O-CB 3.28Å; E285-T288 WeakPolarHBondContact O-CB 3.46Å; E285-T288 PolarHBondContact O-N 2.93Å; T288-N291 PolarHBondContact O-N 3.46Å; T288-I292 HydrophobicContact CG2-CD1 4.23Å; T288-I292 VanDerWaalsContact O-CG1 3.3Å; T288-I292 WeakPolarHBondContact O-CG1 3.31Å; T288-I292 PolarHBondContact O-N 2.91Å
289	V	94.3	Very high	93	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	11%	0.111	C	C	.	.	H	α-helix	trans	-64.1	-46	176.5	-179.9	0	0	0	0	111.1	C284 E285 G286 M287 N291 I292 L293 W313 V319	C284-V289 HydrophobicContact CB-CG2 3.69Å; E285-V289 PolarHBondContact O-N 3.48Å; E285-V289 VanDerWaalsContact O-N 3.07Å; G286-V289 PolarHBondContact O-N 3.14Å; M287-V289 VanDerWaalsContact C-N 3.33Å; V289-N291 VanDerWaalsContact C-N 3.3Å; V289-N291 PolarHBondContact O-N 3.19Å; V289-I292 WeakPolarHBondContact O-CB 3.45Å; V289-I292 PolarHBondContact O-N 3.36Å; V289-I292 VanDerWaalsContact O-N 3.11Å; V289-L293 HydrophobicContact CG1-CD1 4.2Å; V289-L293 HydrophobicContact CG1-CG 4.43Å; V289-L293 WeakPolarHBondContact O-CG 3.23Å; V289-L293 PolarHBondContact O-N 3.42Å; V289-W313 HydrophobicContact CB-CG 4.42Å; V289-W313 HydrophobicContact CG1-CD2 4.05Å; V289-W313 HydrophobicContact CG1-CE3 4.5Å; V289-W313 HydrophobicContact CG1-CG 4.06Å; V289-W313 HydrophobicContact CG2-CG 4.22Å; V289-V319 HydrophobicContact CB-CG1 3.99Å; V289-V319 HydrophobicContact CG1-CG1 3.88Å
290	R	93.1	Very high	92.7	Very high	43 Å²	43	33.3 Å²	33.3	16%	0.162	15%	0.149	C	C	.	.	H	α-helix	trans	-56.4	-43.4	175	-173.8	165.5	-174.7	73	-8.7	111.8	G286 M287 I292 L293 M294 D318 V319 E321	G286-R290 WeakPolarHBondContact O-CB 3.04Å; G286-R290 PolarHBondContact O-N 2.95Å; M287-R290 PolarHBondContact O-N 3.39Å; R290-I292 PolarHBondContact O-N 2.76Å; R290-L293 PolarHBondContact O-N 3.29Å; R290-M294 HydrophobicContact CG-CE 3.88Å; R290-M294 HydrophobicContact CG-SD 4.44Å; R290-M294 VanDerWaalsContact O-CG 3.27Å; R290-M294 WeakPolarHBondContact O-CG 3.48Å; R290-M294 PolarHBondContact O-N 3.46Å; R290-D318 WeakPolarHBondContact CD-O 3.5Å; R290-D318 PolarHBondContact NE-O 3.44Å; R290-D318 PolarHBondContact NH1-O 3.12Å; R290-D318 VanDerWaalsContact NH1-O 3.1Å; R290-V319 HydrophobicContact CB-CG1 4.19Å; R290-V319 WeakPolarHBondContact CG-O 3.44Å; R290-V319 PolarHBondContact NH1-O 3.11Å; R290-E321 PolarHBondContact NH1-O 3.44Å; R290-E321 PolarHBondContact NH2-O 3Å
291	N	92.6	Very high	92.4	Very high	31 Å²	31	33.4 Å²	33.4	17%	0.166	15%	0.149	C	C	.	.	H	α-helix	trans	-69.3	-30.4	178	-68.7	-14.8	0	0	0	113.3	S256 F263 M287 T288 V289 A295	S256-N291 PolarHBondContact O-ND2 3.3Å; F263-N291 HydrophobicContact CD1-CB 3.8Å; F263-N291 HydrophobicContact CD2-CB 3.88Å; F263-N291 HydrophobicContact CE1-CB 3.52Å; F263-N291 HydrophobicContact CE2-CB 3.59Å; F263-N291 HydrophobicContact CG-CB 3.99Å; F263-N291 HydrophobicContact CZ-CB 3.42Å; F263-N291 VanDerWaalsContact CZ-CB 3.42Å; M287-N291 WeakPolarHBondContact O-CB 3.43Å; M287-N291 PolarHBondContact O-N 3.26Å; M287-N291 PolarHBondContact O-ND2 2.87Å; T288-N291 PolarHBondContact O-N 3.46Å; V289-N291 VanDerWaalsContact C-N 3.3Å; V289-N291 PolarHBondContact O-N 3.19Å; N291-A295 PolarHBondContact O-N 3.24Å
292	I	94.3	Very high	92	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.046	17%	0.168	C	C	.	.	H	α-helix	trans	-67.9	-46	170.1	-69.5	164.3	0	0	0	110.6	I223 F263 T288 V289 R290 M294 A295 M296	I223-I292 HydrophobicContact CD1-CD1 4.16Å; I223-I292 HydrophobicContact CG2-CD1 4.22Å; F263-I292 HydrophobicContact CD1-CG1 3.77Å; F263-I292 HydrophobicContact CE1-CG1 3.92Å; T288-I292 HydrophobicContact CG2-CD1 4.23Å; T288-I292 VanDerWaalsContact O-CG1 3.3Å; T288-I292 WeakPolarHBondContact O-CG1 3.31Å; T288-I292 PolarHBondContact O-N 2.91Å; V289-I292 WeakPolarHBondContact O-CB 3.45Å; V289-I292 PolarHBondContact O-N 3.36Å; V289-I292 VanDerWaalsContact O-N 3.11Å; R290-I292 PolarHBondContact O-N 2.76Å; I292-M294 VanDerWaalsContact C-N 3.34Å; I292-M294 PolarHBondContact O-N 3.02Å; I292-A295 WeakPolarHBondContact O-CA 3.31Å; I292-A295 WeakPolarHBondContact O-CB 3.42Å; I292-A295 PolarHBondContact O-N 3.28Å; I292-A295 VanDerWaalsContact O-N 3.08Å; I292-M296 HydrophobicContact CG2-SD 4.08Å; I292-M296 WeakPolarHBondContact O-CG 3.45Å; I292-M296 PolarHBondContact O-N 3.27Å
293	L	95	Very high	91.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-40.1	176.7	-66.1	172.3	0	0	0	111.9	V289 R290 A295 M296 K297 L307 V319 T320 Y323 E326 A327	V289-L293 HydrophobicContact CG1-CD1 4.2Å; V289-L293 HydrophobicContact CG1-CG 4.43Å; V289-L293 WeakPolarHBondContact O-CG 3.23Å; V289-L293 PolarHBondContact O-N 3.42Å; R290-L293 PolarHBondContact O-N 3.29Å; L293-A295 PolarHBondContact O-N 2.92Å; L293-M296 HydrophobicContact CD2-SD 4.27Å; L293-M296 WeakPolarHBondContact O-CB 3.47Å; L293-M296 PolarHBondContact O-N 3.48Å; L293-K297 PolarHBondContact O-N 3.14Å; L293-L307 HydrophobicContact CD2-CD1 3.98Å; L293-V319 HydrophobicContact CD1-CG1 4.45Å; L293-T320 HydrophobicContact CD1-CG2 4.23Å; L293-Y323 HydrophobicContact CB-CG 4.22Å; L293-E326 HydrophobicContact CD2-CB 3.95Å; L293-A327 HydrophobicContact CD1-CB 3.99Å; L293-A327 HydrophobicContact CD2-CB 3.89Å
294	M	93.9	Very high	91.3	Very high	39 Å²	39	42.6 Å²	42.6	19%	0.192	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-44.7	169.7	-73.7	169.8	173.5	0	0	112.1	R290 I292 K297 R298 Y323	R290-M294 HydrophobicContact CG-CE 3.88Å; R290-M294 HydrophobicContact CG-SD 4.44Å; R290-M294 VanDerWaalsContact O-CG 3.27Å; R290-M294 WeakPolarHBondContact O-CG 3.48Å; R290-M294 PolarHBondContact O-N 3.46Å; I292-M294 VanDerWaalsContact C-N 3.34Å; I292-M294 PolarHBondContact O-N 3.02Å; M294-K297 PolarHBondContact O-N 3.06Å; M294-R298 WeakPolarHBondContact O-CG 3.39Å; M294-R298 PolarHBondContact O-N 3.37Å; M294-Y323 HydrophobicContact CB-CE1 4.17Å; M294-Y323 HydrophobicContact CE-CE2 3.79Å; M294-Y323 WeakPolarHBondContact CE-OH 3.47Å; M294-Y323 HydrophobicContact CG-CD1 4.16Å; M294-Y323 HydrophobicContact CG-CD2 4.47Å; M294-Y323 HydrophobicContact CG-CE1 3.51Å; M294-Y323 HydrophobicContact CG-CE2 3.88Å
295	A	93.6	Very high	91.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-38.8	176.2	0	0	0	0	0	112.3	F263 L267 N291 I292 L293 K297 R298 K299	F263-A295 HydrophobicContact CB-CB 4.03Å; L267-A295 VanDerWaalsContact CD2-C 3.45Å; L267-A295 HydrophobicContact CD2-CB 4.04Å; L267-A295 WeakPolarHBondContact CD2-O 3.49Å; N291-A295 PolarHBondContact O-N 3.24Å; I292-A295 WeakPolarHBondContact O-CA 3.31Å; I292-A295 WeakPolarHBondContact O-CB 3.42Å; I292-A295 PolarHBondContact O-N 3.28Å; I292-A295 VanDerWaalsContact O-N 3.08Å; L293-A295 PolarHBondContact O-N 2.92Å; A295-K297 VanDerWaalsContact C-N 3.35Å; A295-K297 PolarHBondContact O-N 3.31Å; A295-R298 PolarHBondContact O-N 3.06Å; A295-K299 WeakPolarHBondContact O-CB 3.32Å; A295-K299 PolarHBondContact O-N 2.81Å
296	M	95.1	Very high	91.7	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-43.5	174.3	-73.2	169.3	63.8	0	0	111.3	L267 I292 L293 K300 V301 E326	L267-M296 HydrophobicContact CD1-CG 3.97Å; L267-M296 HydrophobicContact CD2-CB 4.46Å; L267-M296 HydrophobicContact CD2-CG 4Å; I292-M296 HydrophobicContact CG2-SD 4.08Å; I292-M296 WeakPolarHBondContact O-CG 3.45Å; I292-M296 PolarHBondContact O-N 3.27Å; L293-M296 HydrophobicContact CD2-SD 4.27Å; L293-M296 WeakPolarHBondContact O-CB 3.47Å; L293-M296 PolarHBondContact O-N 3.48Å; M296-K300 WeakPolarHBondContact O-CA 3.48Å; M296-K300 PolarHBondContact O-N 2.61Å; M296-V301 WeakPolarHBondContact CE-O 3.49Å; M296-V301 PolarHBondContact O-N 3.32Å; M296-E326 HydrophobicContact CB-CB 4.31Å; M296-E326 HydrophobicContact CB-CG 4.18Å; M296-E326 HydrophobicContact CE-CB 4.46Å; M296-E326 WeakPolarHBondContact CE-O 3.41Å
297	K	93.8	Very high	92.1	Very high	86 Å²	86	41.5 Å²	41.5	37%	0.374	21%	0.205	S	C	.	.	H	α-helix	trans	-62.7	-52.7	172.6	-165.5	169.4	-135.2	98.5	0	111.8	L293 M294 A295 K299 K300 G322 Y323 E326	L293-K297 PolarHBondContact O-N 3.14Å; M294-K297 PolarHBondContact O-N 3.06Å; A295-K297 VanDerWaalsContact C-N 3.35Å; A295-K297 PolarHBondContact O-N 3.31Å; K297-K299 VanDerWaalsContact C-N 3.32Å; K297-K299 PolarHBondContact O-N 3.42Å; K297-K300 PolarHBondContact O-N 2.86Å; K297-G322 PolarHBondContact NZ-O 2.82Å; K297-Y323 HydrophobicContact CB-CD1 4.19Å; K297-Y323 HydrophobicContact CB-CE1 4.39Å; K297-Y323 HydrophobicContact CD-CD1 3.81Å; K297-Y323 HydrophobicContact CD-CE1 3.76Å; K297-E326 HydrophobicContact CB-CG 4.11Å; K297-E326 VanDerWaalsContact CB-OE1 3.22Å; K297-E326 WeakPolarHBondContact CB-OE1 3.24Å; K297-E326 WeakPolarHBondContact CD-OE1 3.22Å; K297-E326 VanDerWaalsContact CE-OE1 3.28Å; K297-E326 WeakPolarHBondContact CE-OE1 3.47Å; K297-E326 WeakPolarHBondContact CG-OE1 3.37Å; K297-E326 IonicContact NZ-OE1 2.77Å; K297-E326 PolarHBondContact NZ-OE1 2.8Å; K297-E326 IonicContact NZ-OE2 3.78Å; K297-E326 PolarHBondContact NZ-OE2 2.92Å
298	R	93.3	Very high	92.7	Very high	80 Å²	80	37.4 Å²	37.4	30%	0.302	19%	0.185	S	C	.	.	H	α-helix	trans	-57.7	-39.3	179.5	-73.1	-169.2	-55.5	-94.8	-7.3	113.1	E260 D264 M294 A295	E260-R298 VanDerWaalsContact CD-NH1 3.27Å; E260-R298 IonicContact OE1-CZ 3.5Å; E260-R298 IonicContact OE1-NE 3.56Å; E260-R298 IonicContact OE1-NH1 3.31Å; E260-R298 PolarHBondContact OE1-NH1 2.93Å; D264-R298 IonicContact OD1-CZ 3.77Å; D264-R298 VanDerWaalsContact OD1-CZ 3.32Å; D264-R298 IonicContact OD1-NE 2.71Å; D264-R298 PolarHBondContact OD1-NE 3.18Å; D264-R298 IonicContact OD1-NH2 3.63Å; D264-R298 PolarHBondContact OD1-NH2 2.81Å; D264-R298 IonicContact OD2-NE 3.54Å; M294-R298 WeakPolarHBondContact O-CG 3.39Å; M294-R298 PolarHBondContact O-N 3.37Å; A295-R298 PolarHBondContact O-N 3.06Å
299	K	92.5	Very high	92.8	Very high	84 Å²	84	37.4 Å²	37.4	37%	0.365	19%	0.185	S	C	.	.	H	α-helix	trans	-93	1.3	-179.6	-62.2	-47.2	-160.8	-144	0	114.7	D264 L267 A295 K297 V301	D264-K299 VanDerWaalsContact CG-CE 3.49Å; D264-K299 WeakPolarHBondContact OD2-CE 3.46Å; D264-K299 IonicContact OD2-NZ 3.21Å; D264-K299 PolarHBondContact OD2-NZ 2.92Å; L267-K299 HydrophobicContact CD2-CB 3.88Å; L267-K299 HydrophobicContact CD2-CG 4.05Å; A295-K299 WeakPolarHBondContact O-CB 3.32Å; A295-K299 PolarHBondContact O-N 2.81Å; K297-K299 VanDerWaalsContact C-N 3.32Å; K297-K299 PolarHBondContact O-N 3.42Å; K299-V301 HydrophobicContact CB-CG2 3.94Å
300	K	91.3	Very high	92.8	Very high	181 Å²	181	37.3 Å²	37.3	79%	0.787	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	52	-177.8	-54.4	-177.4	-178.2	-176.9	0	112.4	M296 K297	M296-K300 WeakPolarHBondContact O-CA 3.48Å; M296-K300 PolarHBondContact O-N 2.61Å; K297-K300 PolarHBondContact O-N 2.86Å
301	V	89	Confident	92.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	18%	0.179	C	C	.	.			trans	-116.9	66.7	178.7	-170.2	0	0	0	0	108.5	L267 K271 M296 K299 E304 F305	L267-V301 HydrophobicContact CD2-CB 4.31Å; L267-V301 HydrophobicContact CD2-CG2 4.18Å; K271-V301 HydrophobicContact CD-CG2 4.19Å; M296-V301 WeakPolarHBondContact CE-O 3.49Å; M296-V301 PolarHBondContact O-N 3.32Å; K299-V301 HydrophobicContact CB-CG2 3.94Å; V301-E304 HydrophobicContact CG1-CB 3.82Å; V301-E304 HydrophobicContact CG1-CG 4.01Å; V301-F305 HydrophobicContact CG1-CD2 3.84Å; V301-F305 HydrophobicContact CG1-CE2 3.72Å
302	V	88.9	Confident	92.4	Very high	67 Å²	67	34.9 Å²	34.9	41%	0.406	18%	0.178	S	C	.	.			trans	-104.3	132.1	-173.4	-167.8	0	0	0	0	109	E304 E325 E326	V302-E304 PolarHBondContact O-N 3.39Å; V302-E304 VanDerWaalsContact O-N 3.1Å; V302-E325 HydrophobicContact CG1-CB 4.32Å; V302-E326 HydrophobicContact CG1-CG 4.3Å; V302-E326 HydrophobicContact CG2-CG 4.1Å
303	G	85.5	Confident	92.1	Very high	52 Å²	52	34.5 Å²	34.5	54%	0.536	18%	0.176	S	C	.	.	S	Bend	trans	70.4	-4.9	-179.1	0	0	0	0	0	116.5	R278	R278-G303 PolarHBondContact NH2-O 3.2Å
304	E	89.7	Confident	91.4	Very high	77 Å²	77	34.6 Å²	34.6	36%	0.36	18%	0.177	S	C	.	.	S	Bend	trans	-70.9	-47.2	178.6	-71.9	-85	-147.7	0	0	112.2	L274 R278 V301 V302	L274-E304 HydrophobicContact CD1-CB 4.07Å; R278-E304 PolarHBondContact NE-O 3.17Å; R278-E304 PolarHBondContact NH2-O 3.25Å; V301-E304 HydrophobicContact CG1-CB 3.82Å; V301-E304 HydrophobicContact CG1-CG 4.01Å; V302-E304 PolarHBondContact O-N 3.39Å; V302-E304 VanDerWaalsContact O-N 3.1Å
305	F	92.9	Very high	90.8	Very high	13 Å²	13	34 Å²	34	6%	0.057	17%	0.174	C	C	.	.			trans	-100.9	147.7	-178.3	-67.5	-65.1	0	0	0	112.4	L267 L270 L274 R278 V280 V301	L267-F305 HydrophobicContact CD1-CD2 4.19Å; L267-F305 HydrophobicContact CD1-CE2 3.73Å; L270-F305 HydrophobicContact CB-CE1 4.28Å; L270-F305 HydrophobicContact CB-CE2 4.29Å; L270-F305 HydrophobicContact CB-CZ 3.7Å; L274-F305 HydrophobicContact CD1-CE1 3.87Å; L274-F305 HydrophobicContact CD1-CE2 4.05Å; L274-F305 HydrophobicContact CD1-CZ 3.59Å; L274-F305 HydrophobicContact CD2-CD1 3.95Å; L274-F305 HydrophobicContact CD2-CE1 3.57Å; L274-F305 HydrophobicContact CD2-CZ 4.18Å; L274-F305 HydrophobicContact CG-CD1 4.42Å; L274-F305 HydrophobicContact CG-CE1 3.62Å; L274-F305 HydrophobicContact CG-CZ 3.75Å; R278-F305 CarbonylContact O-C 3.59Å; R278-F305 VanDerWaalsContact O-CA 3.3Å; R278-F305 WeakPolarHBondContact O-CA 3.31Å; V280-F305 HydrophobicContact CG2-CB 4.05Å; V280-F305 HydrophobicContact CG2-CD1 3.61Å; V280-F305 HydrophobicContact CG2-CE1 4.28Å; V280-F305 HydrophobicContact CG2-CG 3.98Å; V301-F305 HydrophobicContact CG1-CD2 3.84Å; V301-F305 HydrophobicContact CG1-CE2 3.72Å
306	L	94.4	Very high	90.3	Very high	6 Å²	6	36 Å²	36	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	116.8	165.9	-174.8	69.8	0	0	0	109.2	W217 R278 V279 V280 G329 W506 I513	W217-L306 HydrophobicContact CH2-CD2 3.47Å; W217-L306 VanDerWaalsContact CH2-CD2 3.47Å; W217-L306 HydrophobicContact CZ2-CD2 3.76Å; W217-L306 HydrophobicContact CZ3-CD2 4.34Å; R278-L306 PolarHBondContact O-N 3.25Å; V279-L306 WeakPolarHBondContact CA-O 3.44Å; V279-L306 HydrophobicContact CG2-CB 4.3Å; V279-L306 HydrophobicContact CG2-CD2 4.16Å; V280-L306 PolarHBondContact N-O 3.44Å; L306-G329 VanDerWaalsContact CD1-O 3.23Å; L306-G329 WeakPolarHBondContact CD1-O 3.32Å; L306-W506 HydrophobicContact CD2-CH2 4.06Å; L306-W506 HydrophobicContact CD2-CZ2 4.14Å; L306-I513 HydrophobicContact CB-CD1 3.95Å; L306-I513 HydrophobicContact CD1-CD1 4.42Å; L306-I513 HydrophobicContact CD2-CD1 4.45Å
307	L	95.3	Very high	89.8	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.052	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129.8	173.7	-54.9	-174.4	0	0	0	109.8	V280 L293 W313 G330 I331	V280-L307 HydrophobicContact CB-CD2 3.96Å; V280-L307 HydrophobicContact CG1-CD2 4.37Å; V280-L307 HydrophobicContact CG2-CD2 4.39Å; L293-L307 HydrophobicContact CD2-CD1 3.98Å; L307-W313 HydrophobicContact CB-CZ2 4.31Å; L307-G330 WeakPolarHBondContact O-CA 3.15Å; L307-I331 PolarHBondContact O-N 3.23Å
308	V	96.5	Very high	89.2	Confident	1 Å²	1	41 Å²	41	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	106.6	170.9	-179.5	0	0	0	0	106.9	M208 W217 V279 V280 A281 C282 I331	M208-V308 HydrophobicContact CE-CG1 4.39Å; M208-V308 VanDerWaalsContact CE-O 3.3Å; M208-V308 WeakPolarHBondContact CE-O 3.42Å; W217-V308 HydrophobicContact CZ3-CG2 3.99Å; V279-V308 HydrophobicContact CG1-CG2 3.8Å; V280-V308 PolarHBondContact O-N 2.88Å; A281-V308 CarbonylContact C-O 3.51Å; A281-V308 VanDerWaalsContact CA-O 3.31Å; A281-V308 WeakPolarHBondContact CA-O 3.48Å; C282-V308 PolarHBondContact N-O 3.44Å; V308-I331 CarbonylContact C-O 3.56Å; V308-I331 VanDerWaalsContact CA-O 3.31Å; V308-I331 WeakPolarHBondContact CA-O 3.34Å
309	G	94.7	Very high	89	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149	-165.5	0	0	0	0	0	116.1	C282 I331 T332 I333	C282-G309 WeakPolarHBondContact O-CA 3.36Å; G309-I331 PolarHBondContact N-O 2.96Å; G309-T332 WeakPolarHBondContact O-CA 3.48Å; G309-T332 PolarHBondContact O-OG1 3.03Å; G309-I333 PolarHBondContact O-N 2.74Å
310	S	93.8	Very high	88.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.			trans	-53.6	173.8	160.5	62	0	0	0	0	113.4	Y229 C282 C284 G312 T332	Y229-S310 WeakPolarHBondContact OH-CB 3.26Å; Y229-S310 PolarHBondContact OH-OG 2.83Å; C282-S310 PolarHBondContact O-N 3.26Å; C282-S310 PolarHBondContact O-OG 2.9Å; C284-S310 PolarHBondContact N-OG 2.85Å; S310-G312 PolarHBondContact O-N 2.88Å; S310-T332 PolarHBondContact O-OG1 3.23Å; S310-T332 VanDerWaalsContact O-OG1 3.08Å
311	D	90.2	Very high	88.7	Confident	10 Å²	10	31.1 Å²	31.1	5%	0.053	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	6.8	-175.3	77.7	-52.7	0	0	0	115.4	Q204 Y229 W313 A314 I333 K402	Q204-D311 PolarHBondContact NE2-OD1 2.91Å; Y229-D311 PolarHBondContact OH-OD1 2.82Å; D311-W313 PolarHBondContact O-N 3.25Å; D311-W313 VanDerWaalsContact O-N 3.11Å; D311-A314 HydrophobicContact CB-CB 4.05Å; D311-I333 WeakPolarHBondContact CA-O 3.39Å; D311-I333 WeakPolarHBondContact CB-O 3.34Å; D311-I333 PolarHBondContact N-O 2.64Å; D311-K402 WeakPolarHBondContact OD2-CE 3.3Å; D311-K402 IonicContact OD2-NZ 2.76Å; D311-K402 PolarHBondContact OD2-NZ 3.5Å
312	G	85.9	Confident	88.7	Confident	14 Å²	14	33.5 Å²	33.5	14%	0.144	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.2	176	0	0	0	0	0	115	Y229 G286 S310	Y229-G312 PolarHBondContact OH-N 2.7Å; G286-G312 WeakPolarHBondContact CA-O 3.35Å; G286-G312 PolarHBondContact N-O 3.33Å; S310-G312 PolarHBondContact O-N 2.88Å
313	W	88.6	Confident	88.9	Confident	1 Å²	1	32.7 Å²	32.7	0%	0.004	18%	0.181	C	C	.	.	S	Bend	trans	-135.6	-13.6	179.5	65.6	-65.7	0	0	0	116.8	V289 L307 D311 D315 R316 V319 T320 F477 Y487	V289-W313 HydrophobicContact CB-CG 4.42Å; V289-W313 HydrophobicContact CG1-CD2 4.05Å; V289-W313 HydrophobicContact CG1-CE3 4.5Å; V289-W313 HydrophobicContact CG1-CG 4.06Å; V289-W313 HydrophobicContact CG2-CG 4.22Å; L307-W313 HydrophobicContact CB-CZ2 4.31Å; D311-W313 PolarHBondContact O-N 3.25Å; D311-W313 VanDerWaalsContact O-N 3.11Å; W313-D315 VanDerWaalsContact C-N 3.3Å; W313-D315 PolarHBondContact O-N 2.91Å; W313-R316 WeakPolarHBondContact O-CB 3.33Å; W313-R316 PolarHBondContact O-N 3.03Å; W313-V319 HydrophobicContact CB-CB 4.21Å; W313-V319 HydrophobicContact CB-CG1 3.9Å; W313-V319 HydrophobicContact CB-CG2 4.1Å; W313-T320 HydrophobicContact CE3-CG2 4.22Å; W313-T320 HydrophobicContact CZ3-CG2 4.31Å; W313-F477 HydrophobicContact CZ3-CB 4.4Å; W313-Y487 AromaticContact CE3-CE1 3.97Å; W313-Y487 HydrophobicContact CE3-CE1 3.97Å; W313-Y487 AromaticContact CZ3-CE1 3.96Å; W313-Y487 HydrophobicContact CZ3-CE1 3.96Å; W313-Y487 PolarHBondContact O-OH 3.01Å
314	A	81	Confident	89.2	Confident	2 Å²	2	31.8 Å²	31.8	2%	0.017	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	-61.7	131.3	0	0	0	0	0	120.8	D311 T332 I333 K334	D311-A314 HydrophobicContact CB-CB 4.05Å; A314-T332 HydrophobicContact CB-CG2 4.29Å; A314-T332 PolarHBondContact N-OG1 3.07Å; A314-I333 WeakPolarHBondContact CB-O 3.29Å; A314-K334 HydrophobicContact CB-CB 3.74Å; A314-K334 HydrophobicContact CB-CG 4.17Å
315	D	80.5	Confident	89.2	Confident	27 Å²	27	33.4 Å²	33.4	14%	0.144	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	154.4	-8.8	-135	48.2	23.9	0	0	0	109.9	W313 Y317 T401	W313-D315 VanDerWaalsContact C-N 3.3Å; W313-D315 PolarHBondContact O-N 2.91Å; D315-Y317 VanDerWaalsContact O-CD2 3.22Å; D315-Y317 WeakPolarHBondContact O-CD2 3.42Å; D315-Y317 WeakPolarHBondContact O-CE2 3.39Å; D315-Y317 PolarHBondContact O-N 3.13Å; D315-T401 HydrophobicContact CB-CG2 4.27Å; D315-T401 VanDerWaalsContact OD2-CB 3.23Å; D315-T401 WeakPolarHBondContact OD2-CB 3.48Å; D315-T401 VanDerWaalsContact OD2-CG2 3.26Å; D315-T401 WeakPolarHBondContact OD2-CG2 3.44Å; D315-T401 PolarHBondContact OD2-OG1 3.46Å
316	R	83.8	Confident	89.2	Confident	41 Å²	41	33.3 Å²	33.3	16%	0.155	17%	0.174	C	C	.	.			trans	-80.2	97.1	-176.9	-70.6	-171.7	63.3	-170.8	-1.4	112.2	W313 D318 V319 Y487	W313-R316 WeakPolarHBondContact O-CB 3.33Å; W313-R316 PolarHBondContact O-N 3.03Å; R316-D318 WeakPolarHBondContact CB-OD1 3.31Å; R316-D318 IonicContact CZ-OD1 3.84Å; R316-D318 IonicContact CZ-OD2 3.24Å; R316-D318 IonicContact NE-OD1 2.7Å; R316-D318 PolarHBondContact NE-OD1 3.4Å; R316-D318 IonicContact NE-OD2 2.69Å; R316-D318 VanDerWaalsContact NH2-CG 3.35Å; R316-D318 IonicContact NH2-OD1 3.81Å; R316-D318 PolarHBondContact NH2-OD1 3.27Å; R316-D318 IonicContact NH2-OD2 3.4Å; R316-D318 PolarHBondContact NH2-OD2 3.02Å; R316-D318 PolarHBondContact O-N 2.03Å; R316-V319 HydrophobicContact CB-CB 4.3Å; R316-V319 HydrophobicContact CB-CG2 3.78Å; R316-V319 WeakPolarHBondContact O-CB 3.48Å; R316-V319 PolarHBondContact O-N 3.36Å; R316-Y487 PolarHBondContact O-OH 3.36Å
317	Y	83.8	Confident	89.1	Confident	122 Å²	122	33.1 Å²	33.1	48%	0.478	17%	0.173	S	C	.	.	H	α-helix	trans	-62.6	-29.6	170	-55	-80.5	0	0	0	112.4	D315 V319 T320 E321 D486 Y487	D315-Y317 VanDerWaalsContact O-CD2 3.22Å; D315-Y317 WeakPolarHBondContact O-CD2 3.42Å; D315-Y317 WeakPolarHBondContact O-CE2 3.39Å; D315-Y317 PolarHBondContact O-N 3.13Å; Y317-V319 PolarHBondContact O-N 2.71Å; Y317-T320 PolarHBondContact O-N 3.45Å; Y317-T320 VanDerWaalsContact O-N 3.12Å; Y317-T320 PolarHBondContact O-OG1 3.13Å; Y317-E321 VanDerWaalsContact O-CB 3.3Å; Y317-E321 WeakPolarHBondContact O-CB 3.36Å; Y317-E321 PolarHBondContact O-N 2.85Å; Y317-D486 WeakPolarHBondContact CE1-OD1 3.47Å; Y317-D486 PolarHBondContact OH-OD1 3.25Å; Y317-D486 VanDerWaalsContact OH-OD1 3.13Å; Y317-Y487 HydrophobicContact CD1-CD2 4.08Å; Y317-Y487 HydrophobicContact CD1-CE2 4.08Å; Y317-Y487 AromaticContact CE1-CD2 3.55Å; Y317-Y487 HydrophobicContact CE1-CD2 3.55Å; Y317-Y487 HydrophobicContact CE1-CE2 4.04Å; Y317-Y487 HydrophobicContact CE2-CD2 4.43Å; Y317-Y487 HydrophobicContact CG-CE2 4.49Å; Y317-Y487 AromaticContact CZ-CD2 3.73Å
318	D	82.3	Confident	89	Confident	72 Å²	72	34.7 Å²	34.7	39%	0.385	19%	0.188	S	C	.	.	H	α-helix	trans	-66.1	-17.5	177.6	79.9	-50.1	0	0	0	113.5	R290 R316	R290-D318 WeakPolarHBondContact CD-O 3.5Å; R290-D318 PolarHBondContact NE-O 3.44Å; R290-D318 PolarHBondContact NH1-O 3.12Å; R290-D318 VanDerWaalsContact NH1-O 3.1Å; R316-D318 WeakPolarHBondContact CB-OD1 3.31Å; R316-D318 IonicContact CZ-OD1 3.84Å; R316-D318 IonicContact CZ-OD2 3.24Å; R316-D318 IonicContact NE-OD1 2.7Å; R316-D318 PolarHBondContact NE-OD1 3.4Å; R316-D318 IonicContact NE-OD2 2.69Å; R316-D318 VanDerWaalsContact NH2-CG 3.35Å; R316-D318 IonicContact NH2-OD1 3.81Å; R316-D318 PolarHBondContact NH2-OD1 3.27Å; R316-D318 IonicContact NH2-OD2 3.4Å; R316-D318 PolarHBondContact NH2-OD2 3.02Å; R316-D318 PolarHBondContact O-N 2.03Å
319	V	88.9	Confident	88.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-78.6	-44.2	171.4	174.2	0	0	0	0	111.1	G286 V289 R290 L293 W313 R316 Y317	G286-V319 WeakPolarHBondContact O-CG1 3.31Å; G286-V319 WeakPolarHBondContact O-CG2 3.47Å; V289-V319 HydrophobicContact CB-CG1 3.99Å; V289-V319 HydrophobicContact CG1-CG1 3.88Å; R290-V319 HydrophobicContact CB-CG1 4.19Å; R290-V319 WeakPolarHBondContact CG-O 3.44Å; R290-V319 PolarHBondContact NH1-O 3.11Å; L293-V319 HydrophobicContact CD1-CG1 4.45Å; W313-V319 HydrophobicContact CB-CB 4.21Å; W313-V319 HydrophobicContact CB-CG1 3.9Å; W313-V319 HydrophobicContact CB-CG2 4.1Å; R316-V319 HydrophobicContact CB-CB 4.3Å; R316-V319 HydrophobicContact CB-CG2 3.78Å; R316-V319 WeakPolarHBondContact O-CB 3.48Å; R316-V319 PolarHBondContact O-N 3.36Å; Y317-V319 PolarHBondContact O-N 2.71Å
320	T	90.2	Very high	88.7	Confident	3 Å²	3	36 Å²	36	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-93.7	-14.6	-173.1	52	0	0	0	0	114.5	L293 W313 Y317 G322 Y323 S324 A327 F477 Y487	L293-T320 HydrophobicContact CD1-CG2 4.23Å; W313-T320 HydrophobicContact CE3-CG2 4.22Å; W313-T320 HydrophobicContact CZ3-CG2 4.31Å; Y317-T320 PolarHBondContact O-N 3.45Å; Y317-T320 VanDerWaalsContact O-N 3.12Å; Y317-T320 PolarHBondContact O-OG1 3.13Å; T320-G322 PolarHBondContact O-N 3.32Å; T320-Y323 CarbonylContact O-C 3.54Å; T320-Y323 VanDerWaalsContact O-C 3.28Å; T320-Y323 WeakPolarHBondContact O-CA 3.38Å; T320-Y323 PolarHBondContact O-N 2.68Å; T320-S324 PolarHBondContact O-N 3.49Å; T320-S324 VanDerWaalsContact O-N 3.17Å; T320-S324 PolarHBondContact O-OG 2.81Å; T320-A327 HydrophobicContact CG2-CB 3.66Å; T320-F477 HydrophobicContact CG2-CD1 4.49Å; T320-F477 HydrophobicContact CG2-CD2 4.48Å; T320-F477 HydrophobicContact CG2-CE1 4.33Å; T320-F477 HydrophobicContact CG2-CE2 4.31Å; T320-F477 HydrophobicContact CG2-CZ 4.22Å; T320-Y487 WeakPolarHBondContact CG2-OH 3.33Å
321	E	86.7	Confident	88.7	Confident	133 Å²	133	36 Å²	36	62%	0.621	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	120.7	179.9	-178.2	179.6	-145.1	0	0	112	R290 Y317 Y323	R290-E321 PolarHBondContact NH1-O 3.44Å; R290-E321 PolarHBondContact NH2-O 3Å; Y317-E321 VanDerWaalsContact O-CB 3.3Å; Y317-E321 WeakPolarHBondContact O-CB 3.36Å; Y317-E321 PolarHBondContact O-N 2.85Å; E321-Y323 VanDerWaalsContact C-N 3.31Å; E321-Y323 VanDerWaalsContact O-CD2 3.27Å; E321-Y323 WeakPolarHBondContact O-CD2 3.48Å
322	G	88.8	Confident	89	Confident	53 Å²	53	35.5 Å²	35.5	55%	0.546	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-9.4	-173.6	0	0	0	0	0	115	K297 T320	K297-G322 PolarHBondContact NZ-O 2.82Å; T320-G322 PolarHBondContact O-N 3.32Å
323	Y	93.1	Very high	89.4	Confident	49 Å²	49	34.9 Å²	34.9	19%	0.192	19%	0.192	C	C	.	.			trans	-131.4	24.4	-175.6	-49.4	-82.5	0	0	0	113	L293 M294 K297 T320 E321 E325 E326 A327	L293-Y323 HydrophobicContact CB-CG 4.22Å; M294-Y323 HydrophobicContact CB-CE1 4.17Å; M294-Y323 HydrophobicContact CE-CE2 3.79Å; M294-Y323 WeakPolarHBondContact CE-OH 3.47Å; M294-Y323 HydrophobicContact CG-CD1 4.16Å; M294-Y323 HydrophobicContact CG-CD2 4.47Å; M294-Y323 HydrophobicContact CG-CE1 3.51Å; M294-Y323 HydrophobicContact CG-CE2 3.88Å; K297-Y323 HydrophobicContact CB-CD1 4.19Å; K297-Y323 HydrophobicContact CB-CE1 4.39Å; K297-Y323 HydrophobicContact CD-CD1 3.81Å; K297-Y323 HydrophobicContact CD-CE1 3.76Å; T320-Y323 CarbonylContact O-C 3.54Å; T320-Y323 VanDerWaalsContact O-C 3.28Å; T320-Y323 WeakPolarHBondContact O-CA 3.38Å; T320-Y323 PolarHBondContact O-N 2.68Å; E321-Y323 VanDerWaalsContact C-N 3.31Å; E321-Y323 VanDerWaalsContact O-CD2 3.27Å; E321-Y323 WeakPolarHBondContact O-CD2 3.48Å; Y323-E325 VanDerWaalsContact C-N 3.28Å; Y323-E325 PolarHBondContact O-N 2.87Å; Y323-E326 WeakPolarHBondContact CA-OE2 3.2Å; Y323-E326 PolarHBondContact O-N 2.91Å; Y323-E326 VanDerWaalsContact O-N 3.16Å; Y323-A327 PolarHBondContact O-N 3.34Å
324	S	91.7	Very high	89.5	Confident	33 Å²	33	36.2 Å²	36.2	23%	0.231	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-27.4	-174.2	-43.7	0	0	0	0	113.6	T320 A328 Y485	T320-S324 PolarHBondContact O-N 3.49Å; T320-S324 VanDerWaalsContact O-N 3.17Å; T320-S324 PolarHBondContact O-OG 2.81Å; S324-A328 PolarHBondContact O-N 3.29Å; S324-Y485 WeakPolarHBondContact O-CE1 3.31Å
325	E	90.9	Very high	89.8	Confident	112 Å²	112	36.4 Å²	36.4	52%	0.523	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-34.8	175.1	-55.5	-163.4	124.8	0	0	111.5	V302 Y323 A328	V302-E325 HydrophobicContact CG1-CB 4.32Å; Y323-E325 VanDerWaalsContact C-N 3.28Å; Y323-E325 PolarHBondContact O-N 2.87Å; E325-A328 WeakPolarHBondContact O-CB 3.39Å
326	E	92.7	Very high	90.2	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.047	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-29.6	176.6	-65	80.5	178.7	0	0	113.1	L293 M296 K297 V302 Y323	L293-E326 HydrophobicContact CD2-CB 3.95Å; M296-E326 HydrophobicContact CB-CB 4.31Å; M296-E326 HydrophobicContact CB-CG 4.18Å; M296-E326 HydrophobicContact CE-CB 4.46Å; M296-E326 WeakPolarHBondContact CE-O 3.41Å; K297-E326 HydrophobicContact CB-CG 4.11Å; K297-E326 VanDerWaalsContact CB-OE1 3.22Å; K297-E326 WeakPolarHBondContact CB-OE1 3.24Å; K297-E326 WeakPolarHBondContact CD-OE1 3.22Å; K297-E326 VanDerWaalsContact CE-OE1 3.28Å; K297-E326 WeakPolarHBondContact CE-OE1 3.47Å; K297-E326 WeakPolarHBondContact CG-OE1 3.37Å; K297-E326 IonicContact NZ-OE1 2.77Å; K297-E326 PolarHBondContact NZ-OE1 2.8Å; K297-E326 IonicContact NZ-OE2 3.78Å; K297-E326 PolarHBondContact NZ-OE2 2.92Å; V302-E326 HydrophobicContact CG1-CG 4.3Å; V302-E326 HydrophobicContact CG2-CG 4.1Å; Y323-E326 WeakPolarHBondContact CA-OE2 3.2Å; Y323-E326 PolarHBondContact O-N 2.91Å; Y323-E326 VanDerWaalsContact O-N 3.16Å
327	A	92.9	Very high	90.2	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	20%	0.203	C	C	.	.	S	Bend	trans	-86.3	-8.1	177.8	0	0	0	0	0	114.2	L293 T320 Y323 G329 G330 F477	L293-A327 HydrophobicContact CD1-CB 3.99Å; L293-A327 HydrophobicContact CD2-CB 3.89Å; T320-A327 HydrophobicContact CG2-CB 3.66Å; Y323-A327 PolarHBondContact O-N 3.34Å; A327-G329 PolarHBondContact O-N 2.04Å; A327-G330 PolarHBondContact O-N 3.05Å; A327-G330 VanDerWaalsContact O-N 3.1Å; A327-F477 HydrophobicContact CB-CD1 3.68Å; A327-F477 HydrophobicContact CB-CE1 3.86Å
328	A	91.8	Very high	90.2	Very high	43 Å²	43	33.3 Å²	33.3	36%	0.355	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	130	-168.1	0	0	0	0	0	113.8	S324 E325 G330 Y485	S324-A328 PolarHBondContact O-N 3.29Å; E325-A328 WeakPolarHBondContact O-CB 3.39Å; A328-G330 PolarHBondContact O-N 2.84Å; A328-Y485 HydrophobicContact CB-CD1 4.34Å; A328-Y485 HydrophobicContact CB-CE1 3.76Å
329	G	90.4	Very high	90.4	Very high	25 Å²	25	35.6 Å²	35.6	26%	0.258	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-6.7	-178.4	0	0	0	0	0	114.3	L306 A327 N476 F477	L306-G329 VanDerWaalsContact CD1-O 3.23Å; L306-G329 WeakPolarHBondContact CD1-O 3.32Å; A327-G329 PolarHBondContact O-N 2.04Å; G329-N476 PolarHBondContact O-ND2 2.91Å; G329-F477 PolarHBondContact N-O 2.04Å
330	G	94	Very high	90.5	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.021	21%	0.213	C	C	.	.			trans	-60.1	140.5	179.5	0	0	0	0	0	112.8	L307 A327 A328 N476 F477	L307-G330 WeakPolarHBondContact O-CA 3.15Å; A327-G330 PolarHBondContact O-N 3.05Å; A327-G330 VanDerWaalsContact O-N 3.1Å; A328-G330 PolarHBondContact O-N 2.84Å; G330-N476 WeakPolarHBondContact O-CA 3.04Å; G330-F477 PolarHBondContact O-N 3.4Å
331	I	95.8	Very high	90.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.9	179.5	-59.2	170.4	0	0	0	108.1	W217 L307 V308 G309 I474 M475 N476	W217-I331 HydrophobicContact CH2-CD1 4.44Å; L307-I331 PolarHBondContact O-N 3.23Å; V308-I331 CarbonylContact C-O 3.56Å; V308-I331 VanDerWaalsContact CA-O 3.31Å; V308-I331 WeakPolarHBondContact CA-O 3.34Å; G309-I331 PolarHBondContact N-O 2.96Å; I331-I474 HydrophobicContact CG2-CG2 3.81Å; I331-M475 WeakPolarHBondContact CA-O 3.09Å; I331-N476 WeakPolarHBondContact CG1-ND2 3.3Å
332	T	95.6	Very high	90.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	158	170.9	-173.5	0	0	0	0	110.2	G309 S310 A314 M475 Y487	G309-T332 WeakPolarHBondContact O-CA 3.48Å; G309-T332 PolarHBondContact O-OG1 3.03Å; S310-T332 PolarHBondContact O-OG1 3.23Å; S310-T332 VanDerWaalsContact O-OG1 3.08Å; A314-T332 HydrophobicContact CB-CG2 4.29Å; A314-T332 PolarHBondContact N-OG1 3.07Å; T332-M475 HydrophobicContact CG2-CB 3.9Å; T332-M475 PolarHBondContact N-O 3.27Å; T332-M475 PolarHBondContact O-N 3.06Å; T332-Y487 HydrophobicContact CG2-CD1 4.26Å; T332-Y487 HydrophobicContact CG2-CE1 4.09Å
333	I	94.1	Very high	91.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.4	-178.5	61.9	-152.9	0	0	0	109.2	Q204 M208 I211 G309 D311 A314 E473 I474	Q204-I333 HydrophobicContact CG-CD1 3.35Å; Q204-I333 HydrophobicContact CG-CG1 3.87Å; M208-I333 HydrophobicContact CG-CD1 3.34Å; M208-I333 HydrophobicContact SD-CD1 3.72Å; I211-I333 HydrophobicContact CD1-CG2 3.86Å; G309-I333 PolarHBondContact O-N 2.74Å; D311-I333 WeakPolarHBondContact CA-O 3.39Å; D311-I333 WeakPolarHBondContact CB-O 3.34Å; D311-I333 PolarHBondContact N-O 2.64Å; A314-I333 WeakPolarHBondContact CB-O 3.29Å; I333-E473 WeakPolarHBondContact CA-O 3.39Å; I333-I474 HydrophobicContact CB-CD1 4.49Å; I333-I474 HydrophobicContact CG2-CD1 3.68Å
334	K	90.4	Very high	91.1	Very high	29 Å²	29	36.8 Å²	36.8	13%	0.126	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.8	-175.9	-179	-166	158.8	-145.1	0	108.8	A314 Q336 Y472 E473 M475	A314-K334 HydrophobicContact CB-CB 3.74Å; A314-K334 HydrophobicContact CB-CG 4.17Å; K334-Q336 PolarHBondContact O-N 2.53Å; K334-Y472 CarbonylContact O-C 3.6Å; K334-Y472 WeakPolarHBondContact O-CA 3.38Å; K334-Y472 WeakPolarHBondContact O-CB 3.43Å; K334-E473 HydrophobicContact CB-CB 4.38Å; K334-E473 PolarHBondContact N-O 3.27Å; K334-E473 IonicContact NZ-OE2 3.32Å; K334-E473 PolarHBondContact NZ-OE2 3Å; K334-E473 PolarHBondContact O-N 2.88Å; K334-M475 HydrophobicContact CB-CG 3.98Å; K334-M475 HydrophobicContact CD-CG 4.48Å
335	L	88.8	Confident	91.2	Very high	6 Å²	6	40 Å²	40	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	128	168.5	-75.2	167.4	0	0	0	109.7	V198 P199 S337 F405 Y472	V198-L335 HydrophobicContact CB-CD1 4.4Å; V198-L335 HydrophobicContact CG1-CD1 4.07Å; P199-L335 HydrophobicContact CG-CD2 3.52Å; L335-S337 PolarHBondContact O-N 2.92Å; L335-F405 HydrophobicContact CB-CE2 3.65Å; L335-F405 HydrophobicContact CB-CZ 3.84Å; L335-F405 HydrophobicContact CD1-CE2 4.16Å; L335-F405 HydrophobicContact CG-CE2 4.46Å; L335-Y472 HydrophobicContact CD2-CD1 3.93Å; L335-Y472 HydrophobicContact CD2-CE1 3.51Å; L335-Y472 HydrophobicContact CG-CD1 4.49Å; L335-Y472 HydrophobicContact CG-CE1 4.31Å
336	Q	87.8	Confident	91.4	Very high	64 Å²	64	36.7 Å²	36.7	30%	0.299	20%	0.198	S	C	.	.			trans	-65	122	179	178.4	155.8	69.4	0	0	110.5	K334 F405 R471 E473	K334-Q336 PolarHBondContact O-N 2.53Å; Q336-F405 VanDerWaalsContact O-CZ 3.25Å; Q336-F405 WeakPolarHBondContact O-CZ 3.32Å; Q336-R471 HydrophobicContact CB-CB 3.95Å; Q336-R471 PolarHBondContact N-O 2.99Å; Q336-E473 HydrophobicContact CB-CG 3.97Å; Q336-E473 HydrophobicContact CG-CG 4.18Å; Q336-E473 PolarHBondContact NE2-OE1 3.02Å
337	S	84.2	Confident	91.5	Very high	13 Å²	13	36.2 Å²	36.2	9%	0.091	20%	0.196	C	C	.	.			trans	-157.4	136	-174.1	178	0	0	0	0	108.5	L335 T401	L335-S337 PolarHBondContact O-N 2.92Å; S337-T401 WeakPolarHBondContact CB-O 3.35Å; S337-T401 PolarHBondContact OG-O 2.04Å
338	A	83.3	Confident	91.5	Very high	48 Å²	48	38.4 Å²	38.4	40%	0.397	21%	0.207	S	C	.	.			trans	-106.1	145.9	-175.6	0	0	0	0	0	112.7	V340	A338-V340 PolarHBondContact O-N 2.64Å
339	D	86.8	Confident	91.5	Very high	119 Å²	119	42.5 Å²	42.5	64%	0.636	22%	0.217	S	C	*	.			trans	-64.5	128.5	-177.5	-57.9	-30.3	0	0	0	112.6	K341	D339-K341 PolarHBondContact O-N 2.67Å
340	V	91.6	Very high	91.6	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.042	21%	0.207	C	C	.	.			trans	-92.5	82.7	-170	-172.3	0	0	0	0	110.8	A338 W342 F343 D344 Q399 I407 V455	A338-V340 PolarHBondContact O-N 2.64Å; V340-W342 VanDerWaalsContact C-N 3.27Å; V340-W342 HydrophobicContact CG1-CD2 3.86Å; V340-W342 HydrophobicContact CG1-CG 4.19Å; V340-W342 HydrophobicContact CG1-CH2 4.33Å; V340-W342 HydrophobicContact CG1-CZ2 3.64Å; V340-W342 PolarHBondContact O-N 2.89Å; V340-W342 VanDerWaalsContact O-N 3.08Å; V340-F343 HydrophobicContact CB-CB 4.16Å; V340-F343 HydrophobicContact CG1-CB 3.96Å; V340-F343 WeakPolarHBondContact O-CA 3.32Å; V340-F343 VanDerWaalsContact O-CB 3.32Å; V340-F343 WeakPolarHBondContact O-CB 3.27Å; V340-F343 PolarHBondContact O-N 3.1Å; V340-D344 PolarHBondContact O-N 3.26Å; V340-Q399 PolarHBondContact O-NE2 2.82Å; V340-I407 HydrophobicContact CB-CD1 4.35Å; V340-I407 HydrophobicContact CG1-CD1 3.86Å; V340-I407 HydrophobicContact CG2-CD1 3.98Å; V340-V455 HydrophobicContact CG2-CG2 4.35Å
341	K	91.7	Very high	91.4	Very high	163 Å²	163	45.4 Å²	45.4	71%	0.709	22%	0.22	S	C	*	.	H	α-helix	trans	-49.9	-38.1	-174.4	-63.9	-176.2	179.9	-179.9	0	115.7	D339 F343 D344 D345	D339-K341 PolarHBondContact O-N 2.67Å; K341-F343 VanDerWaalsContact C-N 3.27Å; K341-F343 PolarHBondContact O-N 2.7Å; K341-D344 WeakPolarHBondContact CA-OD2 3.35Å; K341-D344 WeakPolarHBondContact O-CB 3.17Å; K341-D344 PolarHBondContact O-N 2.78Å; K341-D345 PolarHBondContact O-N 2.86Å
342	W	92.8	Very high	91.1	Very high	58 Å²	58	45.6 Å²	45.6	22%	0.22	22%	0.221	C	C	.	.	H	α-helix	trans	-72.4	-21.8	178.9	61.4	-102	0	0	0	113	H76 V340 Y346 I407	H76-W342 AromaticContact CD2-CE3 3.63Å; H76-W342 AromaticContact CD2-CZ3 3.61Å; V340-W342 VanDerWaalsContact C-N 3.27Å; V340-W342 HydrophobicContact CG1-CD2 3.86Å; V340-W342 HydrophobicContact CG1-CG 4.19Å; V340-W342 HydrophobicContact CG1-CH2 4.33Å; V340-W342 HydrophobicContact CG1-CZ2 3.64Å; V340-W342 PolarHBondContact O-N 2.89Å; V340-W342 VanDerWaalsContact O-N 3.08Å; W342-Y346 WeakPolarHBondContact O-CB 3.37Å; W342-Y346 PolarHBondContact O-N 3.48Å; W342-I407 HydrophobicContact CH2-CD1 3.85Å; W342-I407 HydrophobicContact CH2-CG1 4.29Å; W342-I407 HydrophobicContact CH2-CG2 4.41Å; W342-I407 HydrophobicContact CZ2-CD1 3.86Å; W342-I407 HydrophobicContact CZ2-CG1 4.49Å; W342-I407 HydrophobicContact CZ2-CG2 4.09Å
343	F	94.3	Very high	90.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-76.1	-39.2	169.8	179.1	-106.4	0	0	0	111	Q69 E72 A73 V340 K341 D345 Y346 Y347 M403	Q69-F343 HydrophobicContact CB-CE1 4.18Å; Q69-F343 HydrophobicContact CB-CZ 4.02Å; Q69-F343 VanDerWaalsContact O-CZ 3.27Å; Q69-F343 WeakPolarHBondContact O-CZ 3.35Å; E72-F343 HydrophobicContact CB-CE2 3.97Å; E72-F343 HydrophobicContact CB-CZ 4.29Å; A73-F343 HydrophobicContact CB-CD2 3.86Å; A73-F343 HydrophobicContact CB-CE2 3.67Å; A73-F343 HydrophobicContact CB-CZ 4.22Å; V340-F343 HydrophobicContact CB-CB 4.16Å; V340-F343 HydrophobicContact CG1-CB 3.96Å; V340-F343 WeakPolarHBondContact O-CA 3.32Å; V340-F343 VanDerWaalsContact O-CB 3.32Å; V340-F343 WeakPolarHBondContact O-CB 3.27Å; V340-F343 PolarHBondContact O-N 3.1Å; K341-F343 VanDerWaalsContact C-N 3.27Å; K341-F343 PolarHBondContact O-N 2.7Å; F343-D345 VanDerWaalsContact C-N 3.33Å; F343-D345 PolarHBondContact O-N 3.41Å; F343-Y346 HydrophobicContact CD2-CD1 4.29Å; F343-Y346 HydrophobicContact CE2-CD1 4.27Å; F343-Y346 PolarHBondContact O-N 3.23Å; F343-Y346 VanDerWaalsContact O-N 3.12Å; F343-Y347 HydrophobicContact CE1-CD2 4.27Å; F343-Y347 HydrophobicContact CE1-CG 4.08Å; F343-Y347 HydrophobicContact CE2-CD2 4.2Å; F343-Y347 HydrophobicContact CE2-CG 4.48Å; F343-Y347 AromaticContact CZ-CD2 3.59Å; F343-Y347 HydrophobicContact CZ-CD2 3.59Å; F343-Y347 HydrophobicContact CZ-CE2 4.38Å; F343-Y347 AromaticContact CZ-CG 3.81Å; F343-Y347 HydrophobicContact CZ-CG 3.81Å; F343-Y347 VanDerWaalsContact O-CB 3.25Å; F343-Y347 WeakPolarHBondContact O-CB 3.29Å; F343-Y347 PolarHBondContact O-N 2.84Å; F343-M403 HydrophobicContact CD1-CE 4.43Å; F343-M403 HydrophobicContact CE1-CE 3.85Å; F343-M403 HydrophobicContact CZ-CE 4.04Å
344	D	92.8	Very high	90.5	Very high	36 Å²	36	55.8 Å²	55.8	19%	0.193	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-49.1	172.8	-53.9	-37.8	0	0	0	110.8	V340 K341 Y346 Y347 L348 Y397 Q399	V340-D344 PolarHBondContact O-N 3.26Å; K341-D344 WeakPolarHBondContact CA-OD2 3.35Å; K341-D344 WeakPolarHBondContact O-CB 3.17Å; K341-D344 PolarHBondContact O-N 2.78Å; D344-Y346 PolarHBondContact O-N 2.69Å; D344-Y347 PolarHBondContact O-N 2.66Å; D344-L348 HydrophobicContact CB-CD1 4.39Å; D344-L348 VanDerWaalsContact O-CB 3.28Å; D344-L348 WeakPolarHBondContact O-CB 3.35Å; D344-L348 WeakPolarHBondContact O-CG 3.22Å; D344-L348 PolarHBondContact O-N 3.2Å; D344-Y397 WeakPolarHBondContact OD1-CE1 3.41Å; D344-Y397 PolarHBondContact OD1-OH 3.24Å; D344-Y397 VanDerWaalsContact OD1-OH 3.09Å; D344-Q399 PolarHBondContact OD1-NE2 2.81Å
345	D	93.9	Very high	90.5	Very high	99 Å²	99	54.8 Å²	54.8	53%	0.529	27%	0.268	S	S	.	.	H	α-helix	trans	-57.8	-32.4	176.6	-106.2	-47.9	0	0	0	112.8	K341 F343 K349	K341-D345 PolarHBondContact O-N 2.86Å; F343-D345 VanDerWaalsContact C-N 3.33Å; F343-D345 PolarHBondContact O-N 3.41Å; D345-K349 WeakPolarHBondContact O-CD 3.38Å; D345-K349 WeakPolarHBondContact O-CE 3.02Å; D345-K349 VanDerWaalsContact O-CG 3.3Å; D345-K349 WeakPolarHBondContact O-CG 3.48Å; D345-K349 PolarHBondContact O-NZ 3.48Å; D345-K349 IonicContact OD1-NZ 3.18Å; D345-K349 PolarHBondContact OD1-NZ 3.4Å
346	Y	94.5	Very high	90.4	Very high	44 Å²	44	61.9 Å²	61.9	17%	0.173	30%	0.3	C	S	.	.	H	α-helix	trans	-80.7	-58.1	176.8	171.6	-103.4	0	0	0	111.5	E72 H76 W342 F343 D344 L348 K349 L350	E72-Y346 HydrophobicContact CB-CE1 4.2Å; E72-Y346 PolarHBondContact OE2-OH 2.79Å; H76-Y346 HydrophobicContact CB-CD1 3.82Å; H76-Y346 HydrophobicContact CB-CD2 4.27Å; H76-Y346 HydrophobicContact CB-CE1 3.65Å; H76-Y346 HydrophobicContact CB-CE2 4.11Å; H76-Y346 HydrophobicContact CB-CG 4.12Å; H76-Y346 AromaticContact CD2-CD1 3.92Å; H76-Y346 AromaticContact CD2-CD2 3.7Å; H76-Y346 AromaticContact CD2-CG 3.43Å; H76-Y346 VanDerWaalsContact CD2-CG 3.43Å; H76-Y346 AromaticContact CE1-CD2 3.86Å; H76-Y346 AromaticContact CG-CD1 3.89Å; H76-Y346 AromaticContact CG-CD2 3.63Å; H76-Y346 AromaticContact CG-CE2 3.82Å; H76-Y346 AromaticContact CG-CG 3.65Å; H76-Y346 AromaticContact ND1-CD2 3.71Å; H76-Y346 AromaticContact ND1-CE2 3.79Å; H76-Y346 AromaticContact NE2-CD2 3.88Å; H76-Y346 AromaticContact NE2-CG 3.96Å; W342-Y346 WeakPolarHBondContact O-CB 3.37Å; W342-Y346 PolarHBondContact O-N 3.48Å; F343-Y346 HydrophobicContact CD2-CD1 4.29Å; F343-Y346 HydrophobicContact CE2-CD1 4.27Å; F343-Y346 PolarHBondContact O-N 3.23Å; F343-Y346 VanDerWaalsContact O-N 3.12Å; D344-Y346 PolarHBondContact O-N 2.69Å; Y346-L348 PolarHBondContact O-N 2.98Å; Y346-K349 WeakPolarHBondContact O-CB 3.33Å; Y346-K349 PolarHBondContact O-N 3.09Å; Y346-L350 HydrophobicContact CD1-CD1 4.42Å; Y346-L350 HydrophobicContact CE1-CD1 3.94Å; Y346-L350 HydrophobicContact CE1-CD2 4.15Å; Y346-L350 HydrophobicContact CE1-CG 4.35Å; Y346-L350 HydrophobicContact CE2-CD2 4.22Å
347	Y	94.2	Very high	90.5	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-40.9	-170.7	-173.7	-101.3	0	0	0	112.3	Q69 E72 F343 D344 K349 L350 F364 L393 Y397	Q69-Y347 HydrophobicContact CG-CE1 4.18Å; Q69-Y347 HydrophobicContact CG-CE2 3.94Å; E72-Y347 HydrophobicContact CB-CD2 4.14Å; E72-Y347 HydrophobicContact CB-CE2 4.45Å; E72-Y347 HydrophobicContact CG-CD2 4.12Å; E72-Y347 HydrophobicContact CG-CE2 4.07Å; F343-Y347 HydrophobicContact CE1-CD2 4.27Å; F343-Y347 HydrophobicContact CE1-CG 4.08Å; F343-Y347 HydrophobicContact CE2-CD2 4.2Å; F343-Y347 HydrophobicContact CE2-CG 4.48Å; F343-Y347 AromaticContact CZ-CD2 3.59Å; F343-Y347 HydrophobicContact CZ-CD2 3.59Å; F343-Y347 HydrophobicContact CZ-CE2 4.38Å; F343-Y347 AromaticContact CZ-CG 3.81Å; F343-Y347 HydrophobicContact CZ-CG 3.81Å; F343-Y347 VanDerWaalsContact O-CB 3.25Å; F343-Y347 WeakPolarHBondContact O-CB 3.29Å; F343-Y347 PolarHBondContact O-N 2.84Å; D344-Y347 PolarHBondContact O-N 2.66Å; Y347-K349 PolarHBondContact O-N 3.32Å; Y347-K349 VanDerWaalsContact O-N 3.15Å; Y347-L350 HydrophobicContact CD2-CD1 3.79Å; Y347-L350 HydrophobicContact CE2-CD1 4.34Å; Y347-L350 HydrophobicContact CG-CD1 4.48Å; Y347-L350 WeakPolarHBondContact O-CB 3.03Å; Y347-L350 PolarHBondContact O-N 2.89Å; Y347-L350 VanDerWaalsContact O-N 3.09Å; Y347-F364 VanDerWaalsContact OH-CE1 3.29Å; Y347-F364 WeakPolarHBondContact OH-CE1 3.3Å; Y347-F364 WeakPolarHBondContact OH-CZ 3.2Å; Y347-L393 HydrophobicContact CD1-CD1 4.33Å; Y347-L393 HydrophobicContact CE1-CB 4.41Å; Y347-L393 HydrophobicContact CE1-CD1 4.05Å; Y347-L393 VanDerWaalsContact O-CD1 3.29Å; Y347-L393 WeakPolarHBondContact O-CD1 3.26Å; Y347-Y397 HydrophobicContact CD1-CD2 4.12Å; Y347-Y397 AromaticContact CD1-CE2 3.51Å; Y347-Y397 HydrophobicContact CD1-CE2 3.51Å; Y347-Y397 HydrophobicContact CE1-CD2 4.15Å; Y347-Y397 AromaticContact CE1-CE2 3.76Å; Y347-Y397 HydrophobicContact CE1-CE2 3.76Å
348	L	92.9	Very high	91	Very high	48 Å²	48	62.8 Å²	62.8	25%	0.251	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.7	179.4	-62.2	175.2	0	0	0	113.7	D344 Y346 L393 Q394 Y397	D344-L348 HydrophobicContact CB-CD1 4.39Å; D344-L348 VanDerWaalsContact O-CB 3.28Å; D344-L348 WeakPolarHBondContact O-CB 3.35Å; D344-L348 WeakPolarHBondContact O-CG 3.22Å; D344-L348 PolarHBondContact O-N 3.2Å; Y346-L348 PolarHBondContact O-N 2.98Å; L348-L393 HydrophobicContact CD2-CB 4.09Å; L348-Q394 HydrophobicContact CB-CG 4.32Å; L348-Q394 HydrophobicContact CD1-CG 4.34Å; L348-Q394 HydrophobicContact CD2-CG 3.99Å; L348-Q394 HydrophobicContact CG-CG 4.46Å; L348-Y397 HydrophobicContact CD2-CD1 4.36Å; L348-Y397 HydrophobicContact CD2-CD2 3.86Å; L348-Y397 HydrophobicContact CD2-CE2 4.42Å; L348-Y397 HydrophobicContact CD2-CG 3.84Å
349	K	93	Very high	91.4	Very high	129 Å²	129	62.1 Å²	62.1	56%	0.561	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-5.1	174.9	-59.4	-178.7	-176.4	104.9	0	112.9	D345 Y346 Y347 N354	D345-K349 WeakPolarHBondContact O-CD 3.38Å; D345-K349 WeakPolarHBondContact O-CE 3.02Å; D345-K349 VanDerWaalsContact O-CG 3.3Å; D345-K349 WeakPolarHBondContact O-CG 3.48Å; D345-K349 PolarHBondContact O-NZ 3.48Å; D345-K349 IonicContact OD1-NZ 3.18Å; D345-K349 PolarHBondContact OD1-NZ 3.4Å; Y346-K349 WeakPolarHBondContact O-CB 3.33Å; Y346-K349 PolarHBondContact O-N 3.09Å; Y347-K349 PolarHBondContact O-N 3.32Å; Y347-K349 VanDerWaalsContact O-N 3.15Å; K349-N354 PolarHBondContact O-ND2 2.04Å; K349-N354 VanDerWaalsContact O-ND2 3.14Å
350	L	92.4	Very high	91.7	Very high	12 Å²	12	57 Å²	57	6%	0.063	26%	0.263	C	S	.	.			trans	-72.5	144.7	179.1	-63.7	176.7	0	0	0	112.6	E72 Y346 Y347 F361 L393	E72-L350 HydrophobicContact CB-CD1 4.28Å; E72-L350 HydrophobicContact CG-CD1 3.72Å; E72-L350 VanDerWaalsContact OE2-CD1 3.29Å; E72-L350 WeakPolarHBondContact OE2-CD1 3.29Å; Y346-L350 HydrophobicContact CD1-CD1 4.42Å; Y346-L350 HydrophobicContact CE1-CD1 3.94Å; Y346-L350 HydrophobicContact CE1-CD2 4.15Å; Y346-L350 HydrophobicContact CE1-CG 4.35Å; Y346-L350 HydrophobicContact CE2-CD2 4.22Å; Y347-L350 HydrophobicContact CD2-CD1 3.79Å; Y347-L350 HydrophobicContact CE2-CD1 4.34Å; Y347-L350 HydrophobicContact CG-CD1 4.48Å; Y347-L350 WeakPolarHBondContact O-CB 3.03Å; Y347-L350 PolarHBondContact O-N 2.89Å; Y347-L350 VanDerWaalsContact O-N 3.09Å; L350-F361 HydrophobicContact CB-CE1 4.48Å; L350-F361 HydrophobicContact CB-CE2 3.82Å; L350-F361 HydrophobicContact CB-CZ 3.54Å; L350-F361 HydrophobicContact CD1-CE2 3.86Å; L350-F361 HydrophobicContact CD1-CZ 4.45Å; L350-F361 HydrophobicContact CG-CE2 4.49Å; L350-L393 HydrophobicContact CB-CD1 4.28Å
351	R	89.8	Confident	91.8	Very high	76 Å²	76	56.7 Å²	56.7	29%	0.287	26%	0.261	S	S	.	.			trans	-145.8	146.2	-176.4	-69.8	-63.9	-175.6	166.4	-4.2	110.3	E353 N354 N355 D391	R351-E353 PolarHBondContact O-N 2.93Å; R351-E353 VanDerWaalsContact O-N 3.1Å; R351-N354 HydrophobicContact CB-CB 4.49Å; R351-N354 PolarHBondContact N-OD1 3.15Å; R351-N354 PolarHBondContact O-N 2.69Å; R351-N354 PolarHBondContact O-OD1 2.76Å; R351-N355 PolarHBondContact O-N 3.4Å; R351-D391 PolarHBondContact NH1-O 2.89Å
352	P	89.1	Confident	91.8	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.032	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.9	175.5	-25.3	35.6	0	0	0	113.1	F361 W365 L373	P352-F361 HydrophobicContact CG-CE1 4.25Å; P352-W365 HydrophobicContact CG-CB 3.94Å; P352-W365 HydrophobicContact CG-CD2 3.52Å; P352-W365 HydrophobicContact CG-CE3 3.8Å; P352-W365 HydrophobicContact CG-CG 3.56Å; P352-L373 HydrophobicContact CB-CD1 3.9Å; P352-L373 HydrophobicContact CB-CD2 4.37Å; P352-L373 HydrophobicContact CG-CD1 4.08Å; P352-L373 HydrophobicContact CG-CD2 4.21Å
353	E	86.1	Confident	91.7	Very high	125 Å²	125	50.3 Å²	50.3	58%	0.584	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-7.2	176.9	-50.5	93.8	147.3	0	0	114.5	R351	R351-E353 PolarHBondContact O-N 2.93Å; R351-E353 VanDerWaalsContact O-N 3.1Å
354	N	89.4	Confident	91.6	Very high	90 Å²	90	50.4 Å²	50.4	48%	0.481	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-25	176.1	76.2	14.2	0	0	0	114.3	K349 R351 H356	K349-N354 PolarHBondContact O-ND2 2.04Å; K349-N354 VanDerWaalsContact O-ND2 3.14Å; R351-N354 HydrophobicContact CB-CB 4.49Å; R351-N354 PolarHBondContact N-OD1 3.15Å; R351-N354 PolarHBondContact O-N 2.69Å; R351-N354 PolarHBondContact O-OD1 2.76Å; N354-H356 PolarHBondContact O-N 3.21Å
355	N	90.6	Very high	91.5	Very high	8 Å²	8	49 Å²	49	4%	0.043	23%	0.229	C	C	.	.			trans	-97.8	90.7	-179.2	-169.6	-5.4	0	0	0	111.8	E72 R351 R357 N358 F361	E72-N355 VanDerWaalsContact CD-ND2 3.27Å; E72-N355 PolarHBondContact OE1-ND2 2.95Å; E72-N355 PolarHBondContact OE2-ND2 2.83Å; R351-N355 PolarHBondContact O-N 3.4Å; N355-R357 PolarHBondContact OD1-N 3.49Å; N355-R357 VanDerWaalsContact OD1-N 3.17Å; N355-N358 PolarHBondContact OD1-N 3.15Å; N355-F361 HydrophobicContact CB-CD1 4.19Å; N355-F361 HydrophobicContact CB-CG 4.27Å; N355-F361 WeakPolarHBondContact ND2-CD2 3.5Å
356	H	87.4	Confident	91.4	Very high	155 Å²	155	44.5 Å²	44.5	72%	0.718	20%	0.204	S	C	*	.			trans	-97.1	2.6	170.8	-52.8	-36.2	0	0	0	113.1	N354	N354-H356 PolarHBondContact O-N 3.21Å
357	R	90.6	Very high	91.2	Very high	95 Å²	95	45 Å²	45	36%	0.358	21%	0.208	S	C	.	.	S	Bend	trans	-86.7	-36.5	-179.7	-65.3	169	80.7	-174.5	12.8	111.8	M33 M75 D79 N355 P359	M33-R357 PolarHBondContact SD-NH2 3.36Å; M75-R357 HydrophobicContact CE-CB 4.3Å; M75-R357 HydrophobicContact SD-CB 3.77Å; D79-R357 IonicContact OD1-CZ 3.31Å; D79-R357 IonicContact OD1-NH1 2.76Å; D79-R357 PolarHBondContact OD1-NH1 3.14Å; D79-R357 IonicContact OD1-NH2 3.15Å; D79-R357 PolarHBondContact OD1-NH2 3.27Å; D79-R357 IonicContact OD2-CZ 3.81Å; D79-R357 IonicContact OD2-NH1 3.61Å; D79-R357 PolarHBondContact OD2-NH1 2.91Å; D79-R357 IonicContact OD2-NH2 2.62Å; N355-R357 PolarHBondContact OD1-N 3.49Å; N355-R357 VanDerWaalsContact OD1-N 3.17Å; R357-P359 WeakPolarHBondContact O-CD 3.49Å
358	N	93.1	Very high	90.9	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	22%	0.217	C	C	.	.			trans	-97.1	108	178.3	-179.6	-7.3	0	0	0	111	V71 E72 M75 N355 W360 F361	V71-N358 HydrophobicContact CG1-CB 4.43Å; E72-N358 WeakPolarHBondContact OE1-CB 3.47Å; E72-N358 PolarHBondContact OE1-ND2 2.89Å; M75-N358 HydrophobicContact CE-CB 4.48Å; N355-N358 PolarHBondContact OD1-N 3.15Å; N358-W360 PolarHBondContact O-N 2.64Å; N358-W360 PolarHBondContact OD1-N 2.77Å; N358-F361 HydrophobicContact CB-CB 4Å; N358-F361 WeakPolarHBondContact O-CB 3.35Å; N358-F361 PolarHBondContact O-N 3.09Å; N358-F361 PolarHBondContact OD1-N 3.38Å
359	P	92.4	Very high	90.7	Very high	34 Å²	34	46.1 Å²	46.1	22%	0.221	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-9.6	-176.5	33.2	-37.9	0	0	0	114.1	V29 A31 R357 Q378	V29-P359 HydrophobicContact CG1-CB 3.51Å; V29-P359 HydrophobicContact CG1-CG 3.23Å; A31-P359 HydrophobicContact CB-CG 4.21Å; R357-P359 WeakPolarHBondContact O-CD 3.49Å; P359-Q378 PolarHBondContact O-NE2 3.47Å; P359-Q378 PolarHBondContact O-OE1 3.45Å
360	W	93.9	Very high	90.6	Very high	12 Å²	12	45.9 Å²	45.9	5%	0.045	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-11.1	174.5	-56.8	-73.5	0	0	0	113	V29 A31 V45 H46 I68 D99 N358 E363 F364	V29-W360 HydrophobicContact CB-CZ2 4Å; V29-W360 HydrophobicContact CG1-CD2 4.42Å; V29-W360 HydrophobicContact CG1-CZ2 3.87Å; V29-W360 VanDerWaalsContact O-CZ2 3.25Å; V29-W360 WeakPolarHBondContact O-CZ2 3.22Å; A31-W360 HydrophobicContact CB-CE3 4.47Å; A31-W360 HydrophobicContact CB-CH2 4.46Å; A31-W360 HydrophobicContact CB-CZ3 3.77Å; V45-W360 HydrophobicContact CG1-CB 3.97Å; V45-W360 HydrophobicContact CG1-CD2 3.96Å; V45-W360 HydrophobicContact CG1-CE3 4.36Å; V45-W360 HydrophobicContact CG1-CG 3.79Å; V45-W360 HydrophobicContact CG2-CD2 4.38Å; V45-W360 HydrophobicContact CG2-CE3 4.16Å; V45-W360 HydrophobicContact CG2-CZ3 4.26Å; H46-W360 AromaticContact CE1-CD1 3.75Å; H46-W360 AromaticContact CE1-NE1 3.88Å; I68-W360 HydrophobicContact CD1-CB 3.63Å; D99-W360 HydrophobicContact CB-CZ2 4.4Å; N358-W360 PolarHBondContact O-N 2.64Å; N358-W360 PolarHBondContact OD1-N 2.77Å; W360-E363 PolarHBondContact O-N 3.19Å; W360-F364 WeakPolarHBondContact O-CB 3.33Å; W360-F364 PolarHBondContact O-N 2.74Å
361	F	93.1	Very high	90.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-38	-179.7	-165.9	-85.7	0	0	0	113.6	I68 L350 P352 N355 N358 F364 W365 L393	I68-F361 HydrophobicContact CG2-CD2 4.24Å; L350-F361 HydrophobicContact CB-CE1 4.48Å; L350-F361 HydrophobicContact CB-CE2 3.82Å; L350-F361 HydrophobicContact CB-CZ 3.54Å; L350-F361 HydrophobicContact CD1-CE2 3.86Å; L350-F361 HydrophobicContact CD1-CZ 4.45Å; L350-F361 HydrophobicContact CG-CE2 4.49Å; P352-F361 HydrophobicContact CG-CE1 4.25Å; N355-F361 HydrophobicContact CB-CD1 4.19Å; N355-F361 HydrophobicContact CB-CG 4.27Å; N355-F361 WeakPolarHBondContact ND2-CD2 3.5Å; N358-F361 HydrophobicContact CB-CB 4Å; N358-F361 WeakPolarHBondContact O-CB 3.35Å; N358-F361 PolarHBondContact O-N 3.09Å; N358-F361 PolarHBondContact OD1-N 3.38Å; F361-F364 HydrophobicContact CD2-CD1 4.24Å; F361-F364 HydrophobicContact CE2-CD1 4.27Å; F361-F364 HydrophobicContact CE2-CE1 4.36Å; F361-F364 WeakPolarHBondContact O-CB 3.48Å; F361-F364 PolarHBondContact O-N 3.16Å; F361-W365 AromaticContact CE1-CE3 3.96Å; F361-W365 HydrophobicContact CE1-CE3 3.96Å; F361-W365 HydrophobicContact CE1-CZ3 4.49Å; F361-W365 HydrophobicContact CZ-CE3 4.23Å; F361-W365 PolarHBondContact O-N 3.03Å; F361-L393 HydrophobicContact CZ-CD1 4.14Å
362	P	91.6	Very high	90.5	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.032	21%	0.205	C	C	.	.	H	α-helix	trans	-73.6	-28.5	176	-19.4	35.6	0	0	0	113.4	Q366 L373 H376 Q378	P362-Q366 VanDerWaalsContact O-CG 3.27Å; P362-Q366 WeakPolarHBondContact O-CG 3.41Å; P362-Q366 PolarHBondContact O-N 3.31Å; P362-Q366 PolarHBondContact O-NE2 3.27Å; P362-L373 HydrophobicContact CB-CD1 3.97Å; P362-H376 WeakPolarHBondContact CB-CE1 3.38Å; P362-H376 WeakPolarHBondContact CG-CE1 3.28Å; P362-Q378 VanDerWaalsContact CG-OE1 3.29Å
363	E	91	Very high	90.5	Very high	82 Å²	82	45.5 Å²	45.5	38%	0.383	21%	0.209	S	C	.	.	H	α-helix	trans	-69.5	-48	170.5	-174.4	-176.7	177.4	0	0	110.5	H46 V62 W360 W365 Q366 H367	H46-E363 IonicContact NE2-OE1 2.68Å; H46-E363 IonicContact NE2-OE2 2.99Å; V62-E363 HydrophobicContact CG2-CB 4.43Å; V62-E363 HydrophobicContact CG2-CG 3.83Å; W360-E363 PolarHBondContact O-N 3.19Å; E363-W365 VanDerWaalsContact C-N 3.34Å; E363-W365 PolarHBondContact O-N 3.21Å; E363-Q366 PolarHBondContact O-N 2.85Å; E363-H367 WeakPolarHBondContact O-CB 3.49Å; E363-H367 PolarHBondContact O-N 3.32Å
364	F	91.9	Very high	90.3	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.013	21%	0.207	C	C	.	.	H	α-helix	trans	-52	-48.5	174.4	163.6	-116.9	0	0	0	112.5	V62 E64 I68 Y347 W360 F361 Q366 H367 R368 L393	V62-F364 HydrophobicContact CG1-CB 4.09Å; V62-F364 HydrophobicContact CG1-CD2 4.38Å; E64-F364 HydrophobicContact CB-CE2 3.79Å; E64-F364 HydrophobicContact CB-CZ 4.49Å; E64-F364 HydrophobicContact CG-CE2 3.64Å; E64-F364 HydrophobicContact CG-CZ 3.84Å; E64-F364 WeakPolarHBondContact OE2-CE2 3.33Å; E64-F364 WeakPolarHBondContact OE2-CZ 3.4Å; I68-F364 HydrophobicContact CB-CD2 4.48Å; I68-F364 HydrophobicContact CB-CG 4.31Å; I68-F364 HydrophobicContact CD1-CB 3.93Å; I68-F364 HydrophobicContact CD1-CG 4.45Å; I68-F364 HydrophobicContact CG1-CB 3.82Å; I68-F364 HydrophobicContact CG1-CD2 4.05Å; I68-F364 HydrophobicContact CG1-CG 3.85Å; I68-F364 HydrophobicContact CG2-CD1 3.84Å; I68-F364 HydrophobicContact CG2-CE1 4.2Å; I68-F364 HydrophobicContact CG2-CG 4.05Å; Y347-F364 VanDerWaalsContact OH-CE1 3.29Å; Y347-F364 WeakPolarHBondContact OH-CE1 3.3Å; Y347-F364 WeakPolarHBondContact OH-CZ 3.2Å; W360-F364 WeakPolarHBondContact O-CB 3.33Å; W360-F364 PolarHBondContact O-N 2.74Å; F361-F364 HydrophobicContact CD2-CD1 4.24Å; F361-F364 HydrophobicContact CE2-CD1 4.27Å; F361-F364 HydrophobicContact CE2-CE1 4.36Å; F361-F364 WeakPolarHBondContact O-CB 3.48Å; F361-F364 PolarHBondContact O-N 3.16Å; F364-Q366 VanDerWaalsContact C-N 3.34Å; F364-Q366 PolarHBondContact O-N 3.18Å; F364-H367 PolarHBondContact O-N 3.31Å; F364-R368 HydrophobicContact CD2-CB 4.43Å; F364-R368 HydrophobicContact CE2-CB 3.99Å; F364-R368 HydrophobicContact CZ-CB 4.44Å; F364-R368 WeakPolarHBondContact O-CB 3.26Å; F364-R368 PolarHBondContact O-N 2.64Å; F364-L393 HydrophobicContact CE1-CD2 3.78Å; F364-L393 HydrophobicContact CZ-CD2 3.97Å
365	W	91.1	Very high	89.8	Confident	6 Å²	6	44.7 Å²	44.7	2%	0.023	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-44.8	179.5	-167.6	-79.1	0	0	0	111.7	P352 F361 E363 H367 F369 L373 D391 L393	P352-W365 HydrophobicContact CG-CB 3.94Å; P352-W365 HydrophobicContact CG-CD2 3.52Å; P352-W365 HydrophobicContact CG-CE3 3.8Å; P352-W365 HydrophobicContact CG-CG 3.56Å; F361-W365 AromaticContact CE1-CE3 3.96Å; F361-W365 HydrophobicContact CE1-CE3 3.96Å; F361-W365 HydrophobicContact CE1-CZ3 4.49Å; F361-W365 HydrophobicContact CZ-CE3 4.23Å; F361-W365 PolarHBondContact O-N 3.03Å; E363-W365 VanDerWaalsContact C-N 3.34Å; E363-W365 PolarHBondContact O-N 3.21Å; W365-H367 VanDerWaalsContact C-N 3.34Å; W365-H367 PolarHBondContact O-N 3.33Å; W365-F369 AromaticContact CD1-CD2 3.83Å; W365-F369 AromaticContact CD2-CD2 3.78Å; W365-F369 HydrophobicContact CD2-CD2 3.78Å; W365-F369 AromaticContact CD2-CE2 3.7Å; W365-F369 HydrophobicContact CD2-CE2 3.7Å; W365-F369 AromaticContact CE2-CD2 3.57Å; W365-F369 AromaticContact CE2-CE2 3.59Å; W365-F369 HydrophobicContact CE3-CD2 4.43Å; W365-F369 AromaticContact CE3-CE2 3.9Å; W365-F369 HydrophobicContact CE3-CE2 3.9Å; W365-F369 AromaticContact CG-CD2 3.94Å; W365-F369 HydrophobicContact CG-CD2 3.94Å; W365-F369 HydrophobicContact CG-CE2 4.31Å; W365-F369 AromaticContact CH2-CE2 3.9Å; W365-F369 HydrophobicContact CH2-CE2 3.9Å; W365-F369 HydrophobicContact CH2-CZ 4.45Å; W365-F369 HydrophobicContact CZ2-CD2 4.04Å; W365-F369 AromaticContact CZ2-CE2 3.69Å; W365-F369 HydrophobicContact CZ2-CE2 3.69Å; W365-F369 HydrophobicContact CZ2-CZ 4.41Å; W365-F369 HydrophobicContact CZ3-CE2 4.01Å; W365-F369 AromaticContact NE1-CD2 3.6Å; W365-F369 WeakPolarHBondContact O-CD2 3.05Å; W365-F369 PolarHBondContact O-N 3.4Å; W365-F369 VanDerWaalsContact O-N 3.12Å; W365-L373 HydrophobicContact CB-CD1 4.42Å; W365-D391 HydrophobicContact CZ2-CB 4.07Å; W365-L393 HydrophobicContact CE3-CD2 4.26Å; W365-L393 HydrophobicContact CH2-CG 4.43Å; W365-L393 HydrophobicContact CZ3-CD1 4.15Å; W365-L393 HydrophobicContact CZ3-CD2 3.94Å; W365-L393 HydrophobicContact CZ3-CG 3.78Å
366	Q	90.9	Very high	89.5	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.019	23%	0.23	C	C	.	.	H	α-helix	trans	-65.4	-38.1	177.4	-69.5	177.9	104.2	0	0	111.9	P362 E363 F364 H370 C371 L373 Q378 Y383	P362-Q366 VanDerWaalsContact O-CG 3.27Å; P362-Q366 WeakPolarHBondContact O-CG 3.41Å; P362-Q366 PolarHBondContact O-N 3.31Å; P362-Q366 PolarHBondContact O-NE2 3.27Å; E363-Q366 PolarHBondContact O-N 2.85Å; F364-Q366 VanDerWaalsContact C-N 3.34Å; F364-Q366 PolarHBondContact O-N 3.18Å; Q366-H370 VanDerWaalsContact O-CA 3.3Å; Q366-H370 WeakPolarHBondContact O-CA 3.2Å; Q366-H370 PolarHBondContact O-N 2.74Å; Q366-H370 VanDerWaalsContact O-N 3.1Å; Q366-C371 WeakPolarHBondContact CA-O 3.14Å; Q366-C371 WeakPolarHBondContact CB-O 3.36Å; Q366-C371 VanDerWaalsContact CG-O 3.23Å; Q366-C371 WeakPolarHBondContact CG-O 3.5Å; Q366-C371 PolarHBondContact O-N 2.62Å; Q366-C371 VanDerWaalsContact O-N 3.12Å; Q366-L373 HydrophobicContact CG-CB 4.24Å; Q366-L373 HydrophobicContact CG-CD1 3.89Å; Q366-L373 HydrophobicContact CG-CG 3.72Å; Q366-L373 VanDerWaalsContact OE1-N 3.11Å; Q366-Q378 PolarHBondContact NE2-O 3.15Å; Q366-Y383 HydrophobicContact CB-CD2 4.19Å; Q366-Y383 HydrophobicContact CB-CE2 4.21Å
367	H	89.6	Confident	89.3	Confident	55 Å²	55	45.4 Å²	45.4	26%	0.255	24%	0.235	S	C	.	.	H	α-helix	trans	-66.5	-55.9	175.7	-172.2	-106.5	0	0	0	112.2	E363 F364 W365 F369 H370 Y383	E363-H367 WeakPolarHBondContact O-CB 3.49Å; E363-H367 PolarHBondContact O-N 3.32Å; F364-H367 PolarHBondContact O-N 3.31Å; W365-H367 VanDerWaalsContact C-N 3.34Å; W365-H367 PolarHBondContact O-N 3.33Å; H367-F369 PolarHBondContact O-N 3.33Å; H367-H370 PolarHBondContact O-CE1 2.94Å; H367-H370 PolarHBondContact O-N 2.96Å; H367-H370 PolarHBondContact O-ND1 3.2Å; H367-Y383 PolarHBondContact CD2-OH 3.06Å
368	R	88.5	Confident	88.9	Confident	48 Å²	48	44.8 Å²	44.8	18%	0.181	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-44.6	-176.6	179.1	-179.5	176.5	159.6	-10.3	112.8	E64 F364 L393 T395	E64-R368 IonicContact OE1-CZ 2.64Å; E64-R368 IonicContact OE1-NH1 3.32Å; E64-R368 PolarHBondContact OE1-NH1 2.78Å; E64-R368 VanDerWaalsContact OE2-CD 3.3Å; E64-R368 WeakPolarHBondContact OE2-CD 3.49Å; E64-R368 IonicContact OE2-CZ 3.49Å; E64-R368 IonicContact OE2-NE 2.75Å; E64-R368 IonicContact OE2-NH1 3.58Å; E64-R368 PolarHBondContact OE2-NH1 2.83Å; F364-R368 HydrophobicContact CD2-CB 4.43Å; F364-R368 HydrophobicContact CE2-CB 3.99Å; F364-R368 HydrophobicContact CZ-CB 4.44Å; F364-R368 WeakPolarHBondContact O-CB 3.26Å; F364-R368 PolarHBondContact O-N 2.64Å; R368-L393 PolarHBondContact NH2-O 3.17Å; R368-T395 PolarHBondContact NH2-O 2.83Å
369	F	89.6	Confident	88.4	Confident	23 Å²	23	47.6 Å²	47.6	10%	0.101	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	6.3	-177	-61.7	-69.5	0	0	0	113.4	W365 H367 C371 R385 D391 S392 L393	W365-F369 AromaticContact CD1-CD2 3.83Å; W365-F369 AromaticContact CD2-CD2 3.78Å; W365-F369 HydrophobicContact CD2-CD2 3.78Å; W365-F369 AromaticContact CD2-CE2 3.7Å; W365-F369 HydrophobicContact CD2-CE2 3.7Å; W365-F369 AromaticContact CE2-CD2 3.57Å; W365-F369 AromaticContact CE2-CE2 3.59Å; W365-F369 HydrophobicContact CE3-CD2 4.43Å; W365-F369 AromaticContact CE3-CE2 3.9Å; W365-F369 HydrophobicContact CE3-CE2 3.9Å; W365-F369 AromaticContact CG-CD2 3.94Å; W365-F369 HydrophobicContact CG-CD2 3.94Å; W365-F369 HydrophobicContact CG-CE2 4.31Å; W365-F369 AromaticContact CH2-CE2 3.9Å; W365-F369 HydrophobicContact CH2-CE2 3.9Å; W365-F369 HydrophobicContact CH2-CZ 4.45Å; W365-F369 HydrophobicContact CZ2-CD2 4.04Å; W365-F369 AromaticContact CZ2-CE2 3.69Å; W365-F369 HydrophobicContact CZ2-CE2 3.69Å; W365-F369 HydrophobicContact CZ2-CZ 4.41Å; W365-F369 HydrophobicContact CZ3-CE2 4.01Å; W365-F369 AromaticContact NE1-CD2 3.6Å; W365-F369 WeakPolarHBondContact O-CD2 3.05Å; W365-F369 PolarHBondContact O-N 3.4Å; W365-F369 VanDerWaalsContact O-N 3.12Å; H367-F369 PolarHBondContact O-N 3.33Å; F369-C371 VanDerWaalsContact CB-SG 3.54Å; F369-C371 PolarHBondContact O-N 2.91Å; F369-R385 PolarHBondContact O-NH2 3.33Å; F369-D391 HydrophobicContact CD1-CB 4.05Å; F369-D391 HydrophobicContact CD2-CB 4.49Å; F369-D391 HydrophobicContact CE1-CB 4.27Å; F369-D391 HydrophobicContact CG-CB 4.18Å; F369-S392 WeakPolarHBondContact CZ-O 3.39Å; F369-L393 HydrophobicContact CE2-CD2 4.09Å; F369-L393 HydrophobicContact CZ-CD2 4.19Å
370	H	89.9	Confident	87.8	Confident	124 Å²	124	48 Å²	48	57%	0.574	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	48.1	-178.7	-62.1	-19.9	0	0	0	112.6	Q366 H367 Y383	Q366-H370 VanDerWaalsContact O-CA 3.3Å; Q366-H370 WeakPolarHBondContact O-CA 3.2Å; Q366-H370 PolarHBondContact O-N 2.74Å; Q366-H370 VanDerWaalsContact O-N 3.1Å; H367-H370 PolarHBondContact O-CE1 2.94Å; H367-H370 PolarHBondContact O-N 2.96Å; H367-H370 PolarHBondContact O-ND1 3.2Å; H370-Y383 HydrophobicContact CB-CD1 4.17Å; H370-Y383 HydrophobicContact CB-CE1 4.27Å
371	C	90.6	Very high	87.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.			trans	-140.3	163.4	-171.9	68.2	0	0	0	0	111	Q366 F369 Y383 R385 C387	Q366-C371 WeakPolarHBondContact CA-O 3.14Å; Q366-C371 WeakPolarHBondContact CB-O 3.36Å; Q366-C371 VanDerWaalsContact CG-O 3.23Å; Q366-C371 WeakPolarHBondContact CG-O 3.5Å; Q366-C371 PolarHBondContact O-N 2.62Å; Q366-C371 VanDerWaalsContact O-N 3.12Å; F369-C371 VanDerWaalsContact CB-SG 3.54Å; F369-C371 PolarHBondContact O-N 2.91Å; C371-Y383 VanDerWaalsContact C-CB 3.45Å; C371-Y383 WeakPolarHBondContact O-CD2 3.48Å; C371-R385 CarbonylContact C-O 3.51Å; C371-R385 WeakPolarHBondContact CA-O 3.02Å; C371-R385 HydrophobicContact CB-CB 4.45Å; C371-R385 HydrophobicContact CB-CG 4.44Å; C371-R385 WeakPolarHBondContact CB-O 3.36Å; C371-C387 VanDerWaalsContact C-SG 3.5Å; C371-C387 HydrophobicContact CB-CB 3.92Å; C371-C387 WeakPolarHBondContact CB-SG 3.06Å; C371-C387 WeakPolarHBondContact SG-CA 3.26Å; C371-C387 WeakPolarHBondContact SG-CB 3.35Å; C371-C387 CovalentContact SG-SG 2.03Å; C371-C387 PolarHBondContact SG-SG 2.86Å
372	R	90.3	Very high	86.9	Confident	64 Å²	64	61.2 Å²	61.2	24%	0.242	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-108.4	139.8	175.4	60.9	177	170.1	140.2	-19.1	112.4	K374 E379 S380 Y383 R385 C387	R372-K374 PolarHBondContact O-N 3.33Å; R372-E379 HydrophobicContact CB-CG 4.3Å; R372-E379 WeakPolarHBondContact CD-OE1 3.39Å; R372-E379 IonicContact CZ-OE1 3.83Å; R372-E379 IonicContact NH1-OE1 2.87Å; R372-E379 PolarHBondContact NH1-OE1 3.12Å; R372-S380 WeakPolarHBondContact CB-O 3.4Å; R372-Y383 WeakPolarHBondContact CD-O 3.49Å; R372-Y383 VanDerWaalsContact CG-O 3.25Å; R372-Y383 WeakPolarHBondContact CG-O 3.37Å; R372-Y383 PolarHBondContact NE-O 3.04Å; R372-R385 PolarHBondContact N-O 2.98Å; R372-C387 VanDerWaalsContact C-SG 3.54Å; R372-C387 PolarHBondContact O-N 3.27Å; R372-C387 PolarHBondContact O-SG 3.41Å; R372-C387 VanDerWaalsContact O-SG 3.41Å
373	L	88.8	Confident	86.6	Confident	21 Å²	21	62.4 Å²	62.4	11%	0.11	32%	0.321	C	S	.	.			trans	-89.1	87.4	176.4	-69.9	171.1	0	0	0	109.4	P352 P362 W365 Q366 G375 H376 C387	P352-L373 HydrophobicContact CB-CD1 3.9Å; P352-L373 HydrophobicContact CB-CD2 4.37Å; P352-L373 HydrophobicContact CG-CD1 4.08Å; P352-L373 HydrophobicContact CG-CD2 4.21Å; P362-L373 HydrophobicContact CB-CD1 3.97Å; W365-L373 HydrophobicContact CB-CD1 4.42Å; Q366-L373 HydrophobicContact CG-CB 4.24Å; Q366-L373 HydrophobicContact CG-CD1 3.89Å; Q366-L373 HydrophobicContact CG-CG 3.72Å; Q366-L373 VanDerWaalsContact OE1-N 3.11Å; L373-G375 PolarHBondContact O-N 3.44Å; L373-H376 HydrophobicContact CB-CB 3.73Å; L373-H376 WeakPolarHBondContact O-CB 3.4Å; L373-H376 PolarHBondContact O-N 3.38Å; L373-H376 VanDerWaalsContact O-N 3.1Å; L373-C387 HydrophobicContact CD2-CB 4Å
374	K	82.8	Confident	86.4	Confident	123 Å²	123	65.6 Å²	65.6	54%	0.535	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	123.6	-177.7	-88	-177.6	179.2	153.8	0	112.4	R372 H376 E379 T386	R372-K374 PolarHBondContact O-N 3.33Å; K374-H376 VanDerWaalsContact C-N 3.28Å; K374-H376 PolarHBondContact O-N 3.39Å; K374-E379 VanDerWaalsContact CA-OE2 3.3Å; K374-E379 WeakPolarHBondContact CA-OE2 3.36Å; K374-E379 WeakPolarHBondContact CG-OE1 3.4Å; K374-T386 HydrophobicContact CB-CG2 4.16Å; K374-T386 HydrophobicContact CD-CG2 3.77Å; K374-T386 WeakPolarHBondContact CE-OG1 3.02Å; K374-T386 HydrophobicContact CG-CG2 3.93Å; K374-T386 PolarHBondContact NZ-OG1 2.9Å
375	G	78.6	Confident	86.2	Confident	75 Å²	75	70.5 Å²	70.5	77%	0.773	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	10.1	179	0	0	0	0	0	115	L373 E379	L373-G375 PolarHBondContact O-N 3.44Å; G375-E379 PolarHBondContact N-OE2 2.8Å
376	H	83.6	Confident	86.1	Confident	51 Å²	51	72.7 Å²	72.7	24%	0.236	37%	0.373	C	S	.	.	S	Bend	trans	-82	144.4	166.3	-170.5	-96.9	0	0	0	109.8	P362 L373 K374 Q378 E379	P362-H376 WeakPolarHBondContact CB-CE1 3.38Å; P362-H376 WeakPolarHBondContact CG-CE1 3.28Å; L373-H376 HydrophobicContact CB-CB 3.73Å; L373-H376 WeakPolarHBondContact O-CB 3.4Å; L373-H376 PolarHBondContact O-N 3.38Å; L373-H376 VanDerWaalsContact O-N 3.1Å; K374-H376 VanDerWaalsContact C-N 3.28Å; K374-H376 PolarHBondContact O-N 3.39Å; H376-Q378 PolarHBondContact ND1-N 3.06Å; H376-Q378 PolarHBondContact O-N 2.87Å; H376-E379 PolarHBondContact O-N 3.31Å
377	P	82.8	Confident	85.9	Confident	128 Å²	128	73.6 Å²	73.6	83%	0.831	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-19.4	-179.9	-29.2	36.9	0	0	0	115.8
378	Q	82.1	Confident	85.6	Confident	81 Å²	81	74.6 Å²	74.6	38%	0.379	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	38.9	176	-62.1	168.3	-48.7	0	0	112.1	P359 P362 Q366 H376 S380	P359-Q378 PolarHBondContact O-NE2 3.47Å; P359-Q378 PolarHBondContact O-OE1 3.45Å; P362-Q378 VanDerWaalsContact CG-OE1 3.29Å; Q366-Q378 PolarHBondContact NE2-O 3.15Å; H376-Q378 PolarHBondContact ND1-N 3.06Å; H376-Q378 PolarHBondContact O-N 2.87Å; Q378-S380 PolarHBondContact O-N 3.4Å
379	E	83.9	Confident	85.1	Confident	61 Å²	61	83.1 Å²	83.1	29%	0.285	42%	0.417	S	S	.	.			trans	-63.2	119.9	177	-177	172.7	174.2	0	0	111.3	R372 K374 G375 H376	R372-E379 HydrophobicContact CB-CG 4.3Å; R372-E379 WeakPolarHBondContact CD-OE1 3.39Å; R372-E379 IonicContact CZ-OE1 3.83Å; R372-E379 IonicContact NH1-OE1 2.87Å; R372-E379 PolarHBondContact NH1-OE1 3.12Å; K374-E379 VanDerWaalsContact CA-OE2 3.3Å; K374-E379 WeakPolarHBondContact CA-OE2 3.36Å; K374-E379 WeakPolarHBondContact CG-OE1 3.4Å; G375-E379 PolarHBondContact N-OE2 2.8Å; H376-E379 PolarHBondContact O-N 3.31Å
380	S	79.9	Confident	84.6	Confident	42 Å²	42	90.9 Å²	90.9	29%	0.294	45%	0.445	S	S	.	.			trans	-93.6	112.6	177.7	-168.7	0	0	0	0	112	R372 Q378 K382 Y383	R372-S380 WeakPolarHBondContact CB-O 3.4Å; Q378-S380 PolarHBondContact O-N 3.4Å; S380-K382 PolarHBondContact O-N 2.82Å; S380-K382 WeakPolarHBondContact OG-CB 3.28Å; S380-Y383 PolarHBondContact O-N 3.5Å
381	N	82.9	Confident	84.3	Confident	136 Å²	136	85.9 Å²	85.9	73%	0.727	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-1.9	173.1	-74.1	-44.1	0	0	0	114.2	Y383	N381-Y383 VanDerWaalsContact C-N 3.28Å; N381-Y383 PolarHBondContact O-N 3.32Å
382	K	84.3	Confident	84.1	Confident	153 Å²	153	86.7 Å²	86.7	67%	0.665	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.4	175.8	-171.5	-179.4	177	-171.8	0	113.2	S380	S380-K382 PolarHBondContact O-N 2.82Å; S380-K382 WeakPolarHBondContact OG-CB 3.28Å
383	Y	86.4	Confident	84	Confident	31 Å²	31	83.7 Å²	83.7	12%	0.122	42%	0.417	C	S	.	.			trans	-113.9	119.4	-173.5	-58.4	-70.7	0	0	0	112.3	Q366 H367 H370 C371 R372 S380 N381	Q366-Y383 HydrophobicContact CB-CD2 4.19Å; Q366-Y383 HydrophobicContact CB-CE2 4.21Å; H367-Y383 PolarHBondContact CD2-OH 3.06Å; H370-Y383 HydrophobicContact CB-CD1 4.17Å; H370-Y383 HydrophobicContact CB-CE1 4.27Å; C371-Y383 VanDerWaalsContact C-CB 3.45Å; C371-Y383 WeakPolarHBondContact O-CD2 3.48Å; R372-Y383 WeakPolarHBondContact CD-O 3.49Å; R372-Y383 VanDerWaalsContact CG-O 3.25Å; R372-Y383 WeakPolarHBondContact CG-O 3.37Å; R372-Y383 PolarHBondContact NE-O 3.04Å; S380-Y383 PolarHBondContact O-N 3.5Å; N381-Y383 VanDerWaalsContact C-N 3.28Å; N381-Y383 PolarHBondContact O-N 3.32Å
384	N	85.3	Confident	83.9	Confident	149 Å²	149	89 Å²	89	80%	0.797	44%	0.442	S	S	*	.			trans	-69.8	-41.1	-177.6	-67.6	-25.6	0	0	0	112.7
385	R	89.4	Confident	83.8	Confident	106 Å²	106	87 Å²	87	40%	0.4	44%	0.439	S	S	.	.	S	Bend	trans	-67.4	128.9	-179.5	-175.2	168.7	88.7	115.1	0.5	110.4	F369 C371 R372 E388 D391	F369-R385 PolarHBondContact O-NH2 3.33Å; C371-R385 CarbonylContact C-O 3.51Å; C371-R385 WeakPolarHBondContact CA-O 3.02Å; C371-R385 HydrophobicContact CB-CB 4.45Å; C371-R385 HydrophobicContact CB-CG 4.44Å; C371-R385 WeakPolarHBondContact CB-O 3.36Å; R372-R385 PolarHBondContact N-O 2.98Å; R385-E388 IonicContact NH1-OE1 2.68Å; R385-D391 IonicContact NH1-OD1 3.13Å; R385-D391 IonicContact NH2-OD1 2.77Å; R385-D391 PolarHBondContact NH2-OD1 3.27Å; R385-D391 IonicContact NH2-OD2 3.93Å
386	T	88.1	Confident	84	Confident	51 Å²	51	91.9 Å²	91.9	31%	0.313	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-77.7	139.5	168	-52.6	0	0	0	0	109.1	K374	K374-T386 HydrophobicContact CB-CG2 4.16Å; K374-T386 HydrophobicContact CD-CG2 3.77Å; K374-T386 WeakPolarHBondContact CE-OG1 3.02Å; K374-T386 HydrophobicContact CG-CG2 3.93Å; K374-T386 PolarHBondContact NZ-OG1 2.9Å
387	C	86.3	Confident	84	Confident	23 Å²	23	92.1 Å²	92.1	16%	0.155	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-64.3	146.6	177	-52.6	0	0	0	0	111.4	C371 R372 L373	C371-C387 VanDerWaalsContact C-SG 3.5Å; C371-C387 HydrophobicContact CB-CB 3.92Å; C371-C387 WeakPolarHBondContact CB-SG 3.06Å; C371-C387 WeakPolarHBondContact SG-CA 3.26Å; C371-C387 WeakPolarHBondContact SG-CB 3.35Å; C371-C387 CovalentContact SG-SG 2.03Å; C371-C387 PolarHBondContact SG-SG 2.86Å; R372-C387 VanDerWaalsContact C-SG 3.54Å; R372-C387 PolarHBondContact O-N 3.27Å; R372-C387 PolarHBondContact O-SG 3.41Å; R372-C387 VanDerWaalsContact O-SG 3.41Å; L373-C387 HydrophobicContact CD2-CB 4Å
388	E	84.7	Confident	84.1	Confident	76 Å²	76	88.3 Å²	88.3	36%	0.355	42%	0.42	S	S	.	.			trans	-111.1	149	-178.3	-62.1	-176.5	-124.5	0	0	111.6	R385 R390 D391	R385-E388 IonicContact NH1-OE1 2.68Å; E388-R390 HydrophobicContact CB-CG 3.88Å; E388-R390 VanDerWaalsContact CD-NE 3.34Å; E388-R390 VanDerWaalsContact CD-NH2 3.34Å; E388-R390 PolarHBondContact O-N 3.19Å; E388-R390 IonicContact OE1-CZ 2.76Å; E388-R390 IonicContact OE1-NE 2.64Å; E388-R390 PolarHBondContact OE1-NE 3.37Å; E388-R390 IonicContact OE1-NH2 3.69Å; E388-R390 PolarHBondContact OE1-NH2 2.63Å; E388-R390 IonicContact OE2-CZ 3.75Å; E388-R390 VanDerWaalsContact OE2-CZ 3.31Å; E388-R390 IonicContact OE2-NE 2.61Å; E388-R390 PolarHBondContact OE2-NE 2.87Å; E388-R390 IonicContact OE2-NH2 3.55Å; E388-R390 PolarHBondContact OE2-NH2 3.32Å; E388-R390 VanDerWaalsContact OE2-NH2 3.13Å; E388-D391 PolarHBondContact N-OD2 3.38Å; E388-D391 WeakPolarHBondContact O-CB 3.21Å; E388-D391 PolarHBondContact O-N 2.83Å
389	R	76.6	Confident	84.4	Confident	227 Å²	227	85.5 Å²	85.5	86%	0.857	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.2	176.6	-73.6	-175.3	173.7	175.1	-1	114.4
390	R	80.4	Confident	84.5	Confident	187 Å²	187	82.7 Å²	82.7	71%	0.706	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.8	173.1	64.5	166.8	169.5	161.1	1.4	114.3	E388 S392	E388-R390 HydrophobicContact CB-CG 3.88Å; E388-R390 VanDerWaalsContact CD-NE 3.34Å; E388-R390 VanDerWaalsContact CD-NH2 3.34Å; E388-R390 PolarHBondContact O-N 3.19Å; E388-R390 IonicContact OE1-CZ 2.76Å; E388-R390 IonicContact OE1-NE 2.64Å; E388-R390 PolarHBondContact OE1-NE 3.37Å; E388-R390 IonicContact OE1-NH2 3.69Å; E388-R390 PolarHBondContact OE1-NH2 2.63Å; E388-R390 IonicContact OE2-CZ 3.75Å; E388-R390 VanDerWaalsContact OE2-CZ 3.31Å; E388-R390 IonicContact OE2-NE 2.61Å; E388-R390 PolarHBondContact OE2-NE 2.87Å; E388-R390 IonicContact OE2-NH2 3.55Å; E388-R390 PolarHBondContact OE2-NH2 3.32Å; E388-R390 VanDerWaalsContact OE2-NH2 3.13Å; R390-S392 PolarHBondContact O-N 2.99Å
391	D	82.8	Confident	84.7	Confident	18 Å²	18	82.5 Å²	82.5	10%	0.096	39%	0.391	C	S	.	.			trans	-61.4	133.9	173.7	-65.1	-49.8	0	0	0	107.9	R351 W365 F369 R385 E388	R351-D391 PolarHBondContact NH1-O 2.89Å; W365-D391 HydrophobicContact CZ2-CB 4.07Å; F369-D391 HydrophobicContact CD1-CB 4.05Å; F369-D391 HydrophobicContact CD2-CB 4.49Å; F369-D391 HydrophobicContact CE1-CB 4.27Å; F369-D391 HydrophobicContact CG-CB 4.18Å; R385-D391 IonicContact NH1-OD1 3.13Å; R385-D391 IonicContact NH2-OD1 2.77Å; R385-D391 PolarHBondContact NH2-OD1 3.27Å; R385-D391 IonicContact NH2-OD2 3.93Å; E388-D391 PolarHBondContact N-OD2 3.38Å; E388-D391 WeakPolarHBondContact O-CB 3.21Å; E388-D391 PolarHBondContact O-N 2.83Å
392	S	86.9	Confident	85	Confident	17 Å²	17	77.4 Å²	77.4	12%	0.119	36%	0.363	C	S	.	.			trans	-149.6	146.5	-173.1	83.9	0	0	0	0	112.2	F369 R390 Q394 T395	F369-S392 WeakPolarHBondContact CZ-O 3.39Å; R390-S392 PolarHBondContact O-N 2.99Å; S392-Q394 PolarHBondContact O-N 3.29Å; S392-T395 PolarHBondContact O-N 2.93Å
393	L	87.3	Confident	85.3	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.01	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.2	-178.4	-63.4	172.1	0	0	0	113.5	Y347 L348 L350 F361 F364 W365 R368 F369 T395 Y397	Y347-L393 HydrophobicContact CD1-CD1 4.33Å; Y347-L393 HydrophobicContact CE1-CB 4.41Å; Y347-L393 HydrophobicContact CE1-CD1 4.05Å; Y347-L393 VanDerWaalsContact O-CD1 3.29Å; Y347-L393 WeakPolarHBondContact O-CD1 3.26Å; L348-L393 HydrophobicContact CD2-CB 4.09Å; L350-L393 HydrophobicContact CB-CD1 4.28Å; F361-L393 HydrophobicContact CZ-CD1 4.14Å; F364-L393 HydrophobicContact CE1-CD2 3.78Å; F364-L393 HydrophobicContact CZ-CD2 3.97Å; W365-L393 HydrophobicContact CE3-CD2 4.26Å; W365-L393 HydrophobicContact CH2-CG 4.43Å; W365-L393 HydrophobicContact CZ3-CD1 4.15Å; W365-L393 HydrophobicContact CZ3-CD2 3.94Å; W365-L393 HydrophobicContact CZ3-CG 3.78Å; R368-L393 PolarHBondContact NH2-O 3.17Å; F369-L393 HydrophobicContact CE2-CD2 4.09Å; F369-L393 HydrophobicContact CZ-CD2 4.19Å; L393-T395 VanDerWaalsContact C-N 3.27Å; L393-T395 PolarHBondContact O-N 3.11Å; L393-Y397 WeakPolarHBondContact O-CB 3.49Å
394	Q	86.3	Confident	85.5	Confident	133 Å²	133	68.7 Å²	68.7	62%	0.621	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-31.9	174.2	-64	173	-19.9	0	0	111.9	L348 S392 H396 Y397	L348-Q394 HydrophobicContact CB-CG 4.32Å; L348-Q394 HydrophobicContact CD1-CG 4.34Å; L348-Q394 HydrophobicContact CD2-CG 3.99Å; L348-Q394 HydrophobicContact CG-CG 4.46Å; S392-Q394 PolarHBondContact O-N 3.29Å; Q394-H396 PolarHBondContact O-N 3.4Å; Q394-Y397 PolarHBondContact O-N 3.41Å
395	T	82.4	Confident	85.9	Confident	79 Å²	79	62.4 Å²	62.4	49%	0.485	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	111.4	-179.5	-51	0	0	0	0	110	R368 S392 L393	R368-T395 PolarHBondContact NH2-O 2.83Å; S392-T395 PolarHBondContact O-N 2.93Å; L393-T395 VanDerWaalsContact C-N 3.27Å; L393-T395 PolarHBondContact O-N 3.11Å
396	H	80.9	Confident	86.2	Confident	178 Å²	178	57.4 Å²	57.4	82%	0.824	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	44.3	-170.8	-57.2	-75.1	0	0	0	113.5	Q394	Q394-H396 PolarHBondContact O-N 3.4Å
397	Y	85.2	Confident	86.5	Confident	56 Å²	56	55 Å²	55	22%	0.22	26%	0.257	C	S	.	.			trans	-66.7	133.3	168.1	-176.3	-114.3	0	0	0	111.5	D344 Y347 L348 L393 Q394 Q399	D344-Y397 WeakPolarHBondContact OD1-CE1 3.41Å; D344-Y397 PolarHBondContact OD1-OH 3.24Å; D344-Y397 VanDerWaalsContact OD1-OH 3.09Å; Y347-Y397 HydrophobicContact CD1-CD2 4.12Å; Y347-Y397 AromaticContact CD1-CE2 3.51Å; Y347-Y397 HydrophobicContact CD1-CE2 3.51Å; Y347-Y397 HydrophobicContact CE1-CD2 4.15Å; Y347-Y397 AromaticContact CE1-CE2 3.76Å; Y347-Y397 HydrophobicContact CE1-CE2 3.76Å; L348-Y397 HydrophobicContact CD2-CD1 4.36Å; L348-Y397 HydrophobicContact CD2-CD2 3.86Å; L348-Y397 HydrophobicContact CD2-CE2 4.42Å; L348-Y397 HydrophobicContact CD2-CG 3.84Å; L393-Y397 WeakPolarHBondContact O-CB 3.49Å; Q394-Y397 PolarHBondContact O-N 3.41Å; Y397-Q399 HydrophobicContact CE1-CB 4.14Å; Y397-Q399 WeakPolarHBondContact OH-CB 3.47Å
398	A	84.6	Confident	86.9	Confident	48 Å²	48	53.9 Å²	53.9	40%	0.397	25%	0.25	S	S	.	.			trans	-143.8	122.3	167.6	0	0	0	0	0	108.9	Q69	Q69-A398 PolarHBondContact NE2-O 3.06Å
399	Q	87.1	Confident	87.5	Confident	23 Å²	23	50.2 Å²	50.2	11%	0.107	23%	0.233	C	C	.	.			trans	-71.8	146.2	179.3	-168.8	172.5	104.5	0	0	110.9	V340 D344 Y397 T401 M403	V340-Q399 PolarHBondContact O-NE2 2.82Å; D344-Q399 PolarHBondContact OD1-NE2 2.81Å; Y397-Q399 HydrophobicContact CE1-CB 4.14Å; Y397-Q399 WeakPolarHBondContact OH-CB 3.47Å; Q399-T401 PolarHBondContact O-N 3.44Å; Q399-M403 HydrophobicContact CG-CB 4.47Å
400	D	86.8	Confident	88.4	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.011	19%	0.192	C	C	.	.			trans	-60.6	116.3	165	171.6	21.3	0	0	0	110.2	Q65 Y66 R70 K402 M403	Q65-D400 HydrophobicContact CB-CB 4.1Å; Y66-D400 WeakPolarHBondContact CD1-OD1 3.47Å; Y66-D400 VanDerWaalsContact CE1-OD1 3.24Å; Y66-D400 WeakPolarHBondContact CE1-OD1 3.06Å; R70-D400 IonicContact CZ-OD2 3.55Å; R70-D400 IonicContact NE-OD2 2.74Å; R70-D400 PolarHBondContact NE-OD2 3.48Å; R70-D400 IonicContact NH2-OD1 2.65Å; R70-D400 PolarHBondContact NH2-OD1 2.93Å; R70-D400 IonicContact NH2-OD2 3.44Å; R70-D400 PolarHBondContact NH2-OD2 3.42Å; D400-K402 PolarHBondContact O-N 2.91Å; D400-K402 VanDerWaalsContact O-N 3.11Å; D400-K402 PolarHBondContact OD1-N 3.35Å; D400-M403 HydrophobicContact CB-CB 4.29Å; D400-M403 HydrophobicContact CB-CE 4.02Å; D400-M403 WeakPolarHBondContact O-CB 3.46Å; D400-M403 PolarHBondContact O-N 3.21Å
401	T	84.6	Confident	89.2	Confident	38 Å²	38	32.5 Å²	32.5	23%	0.233	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.1	-179.5	58.2	0	0	0	0	113	D315 S337 Q399	D315-T401 HydrophobicContact CB-CG2 4.27Å; D315-T401 VanDerWaalsContact OD2-CB 3.23Å; D315-T401 WeakPolarHBondContact OD2-CB 3.48Å; D315-T401 VanDerWaalsContact OD2-CG2 3.26Å; D315-T401 WeakPolarHBondContact OD2-CG2 3.44Å; D315-T401 PolarHBondContact OD2-OG1 3.46Å; S337-T401 WeakPolarHBondContact CB-O 3.35Å; S337-T401 PolarHBondContact OG-O 2.04Å; Q399-T401 PolarHBondContact O-N 3.44Å
402	K	88.1	Confident	89.8	Confident	28 Å²	28	31.7 Å²	31.7	12%	0.122	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.4	173.5	-58.1	-167.2	-178.7	-171.4	0	113.8	S179 D311 D400 G404 F405 V406	S179-K402 VanDerWaalsContact OG-CD 3.3Å; S179-K402 WeakPolarHBondContact OG-CD 3.41Å; D311-K402 WeakPolarHBondContact OD2-CE 3.3Å; D311-K402 IonicContact OD2-NZ 2.76Å; D311-K402 PolarHBondContact OD2-NZ 3.5Å; D400-K402 PolarHBondContact O-N 2.91Å; D400-K402 VanDerWaalsContact O-N 3.11Å; D400-K402 PolarHBondContact OD1-N 3.35Å; K402-G404 VanDerWaalsContact C-N 3.32Å; K402-G404 PolarHBondContact O-N 3.12Å; K402-F405 HydrophobicContact CB-CD2 4.14Å; K402-F405 HydrophobicContact CG-CD2 4.45Å; K402-F405 PolarHBondContact O-N 2.95Å; K402-F405 VanDerWaalsContact O-N 3.14Å; K402-V406 PolarHBondContact O-N 3.46Å
403	M	90.9	Very high	90.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-39.9	-178.9	-167.6	62.1	81.8	0	0	113	Q69 R70 A73 F343 Q399 D400 F405 V406 I407	Q69-M403 HydrophobicContact CB-CE 3.5Å; Q69-M403 VanDerWaalsContact CB-CE 3.5Å; Q69-M403 VanDerWaalsContact O-CE 3.28Å; Q69-M403 WeakPolarHBondContact O-CE 3.12Å; R70-M403 HydrophobicContact CG-CE 4.26Å; R70-M403 HydrophobicContact CG-SD 4.28Å; A73-M403 HydrophobicContact CB-CE 3.9Å; A73-M403 HydrophobicContact CB-CG 4.2Å; A73-M403 HydrophobicContact CB-SD 3.25Å; A73-M403 WeakPolarHBondContact CB-SD 3.48Å; F343-M403 HydrophobicContact CD1-CE 4.43Å; F343-M403 HydrophobicContact CE1-CE 3.85Å; F343-M403 HydrophobicContact CZ-CE 4.04Å; Q399-M403 HydrophobicContact CG-CB 4.47Å; D400-M403 HydrophobicContact CB-CB 4.29Å; D400-M403 HydrophobicContact CB-CE 4.02Å; D400-M403 WeakPolarHBondContact O-CB 3.46Å; D400-M403 PolarHBondContact O-N 3.21Å; M403-F405 PolarHBondContact O-N 3.34Å; M403-V406 WeakPolarHBondContact O-CB 3.32Å; M403-V406 PolarHBondContact O-N 3.4Å; M403-V406 HydrophobicContact SD-CB 4.43Å; M403-I407 HydrophobicContact CG-CD1 3.89Å; M403-I407 WeakPolarHBondContact O-CG1 3.22Å; M403-I407 PolarHBondContact O-N 2.9Å; M403-I407 VanDerWaalsContact O-N 3.07Å
404	G	91.8	Very high	90.7	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-56.5	-35.3	177.1	0	0	0	0	0	113.1	K402 I407 N408	K402-G404 VanDerWaalsContact C-N 3.32Å; K402-G404 PolarHBondContact O-N 3.12Å; G404-I407 PolarHBondContact O-N 3.28Å; G404-N408 VanDerWaalsContact O-CB 3.31Å; G404-N408 WeakPolarHBondContact O-CB 3.41Å; G404-N408 PolarHBondContact O-N 3.03Å; G404-N408 PolarHBondContact O-ND2 3.28Å
405	F	92.9	Very high	91.2	Very high	18 Å²	18	26.7 Å²	26.7	8%	0.079	14%	0.136	C	C	.	.	H	α-helix	trans	-72.4	-35.4	175.6	-58.5	-63.5	0	0	0	113.2	V197 V198 L335 Q336 K402 M403 I407 N408 A409	V197-F405 HydrophobicContact CG2-CB 4.14Å; V197-F405 VanDerWaalsContact CG2-O 3.27Å; V197-F405 WeakPolarHBondContact CG2-O 3.43Å; V198-F405 HydrophobicContact CG1-CB 3.89Å; V198-F405 HydrophobicContact CG1-CD1 3.49Å; V198-F405 VanDerWaalsContact CG1-CD1 3.49Å; V198-F405 HydrophobicContact CG1-CD2 3.82Å; V198-F405 HydrophobicContact CG1-CE1 3.92Å; V198-F405 HydrophobicContact CG1-CE2 4.22Å; V198-F405 HydrophobicContact CG1-CG 3.43Å; V198-F405 VanDerWaalsContact CG1-CG 3.43Å; V198-F405 HydrophobicContact CG1-CZ 4.27Å; L335-F405 HydrophobicContact CB-CE2 3.65Å; L335-F405 HydrophobicContact CB-CZ 3.84Å; L335-F405 HydrophobicContact CD1-CE2 4.16Å; L335-F405 HydrophobicContact CG-CE2 4.46Å; Q336-F405 VanDerWaalsContact O-CZ 3.25Å; Q336-F405 WeakPolarHBondContact O-CZ 3.32Å; K402-F405 HydrophobicContact CB-CD2 4.14Å; K402-F405 HydrophobicContact CG-CD2 4.45Å; K402-F405 PolarHBondContact O-N 2.95Å; K402-F405 VanDerWaalsContact O-N 3.14Å; M403-F405 PolarHBondContact O-N 3.34Å; F405-I407 VanDerWaalsContact C-N 3.31Å; F405-I407 PolarHBondContact O-N 2.89Å; F405-N408 PolarHBondContact O-N 3.06Å; F405-A409 WeakPolarHBondContact O-CB 3.17Å; F405-A409 PolarHBondContact O-N 3.49Å
406	V	95.2	Very high	91.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-45.1	173.1	-178.7	0	0	0	0	109.8	F43 R70 Y178 K402 M403 A409 I410	F43-V406 HydrophobicContact CE1-CG1 3.81Å; F43-V406 HydrophobicContact CZ-CG1 3.8Å; R70-V406 HydrophobicContact CG-CG2 4.11Å; Y178-V406 HydrophobicContact CD1-CG2 4.24Å; Y178-V406 HydrophobicContact CD2-CG2 3.76Å; Y178-V406 HydrophobicContact CE2-CG2 4.26Å; Y178-V406 HydrophobicContact CG-CG2 3.79Å; K402-V406 PolarHBondContact O-N 3.46Å; M403-V406 WeakPolarHBondContact O-CB 3.32Å; M403-V406 PolarHBondContact O-N 3.4Å; M403-V406 HydrophobicContact SD-CB 4.43Å; V406-A409 PolarHBondContact O-N 2.91Å; V406-I410 HydrophobicContact CG1-CD1 4.25Å; V406-I410 WeakPolarHBondContact O-CD1 3.05Å; V406-I410 WeakPolarHBondContact O-CG1 3.48Å; V406-I410 PolarHBondContact O-N 3.4Å
407	I	95.3	Very high	92.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.9	-44.1	179.5	-63.4	160.9	0	0	0	111.2	T77 V340 W342 M403 G404 F405 A409 I410 Y411 V455	T77-I407 HydrophobicContact CG2-CG2 4.13Å; V340-I407 HydrophobicContact CB-CD1 4.35Å; V340-I407 HydrophobicContact CG1-CD1 3.86Å; V340-I407 HydrophobicContact CG2-CD1 3.98Å; W342-I407 HydrophobicContact CH2-CD1 3.85Å; W342-I407 HydrophobicContact CH2-CG1 4.29Å; W342-I407 HydrophobicContact CH2-CG2 4.41Å; W342-I407 HydrophobicContact CZ2-CD1 3.86Å; W342-I407 HydrophobicContact CZ2-CG1 4.49Å; W342-I407 HydrophobicContact CZ2-CG2 4.09Å; M403-I407 HydrophobicContact CG-CD1 3.89Å; M403-I407 WeakPolarHBondContact O-CG1 3.22Å; M403-I407 PolarHBondContact O-N 2.9Å; M403-I407 VanDerWaalsContact O-N 3.07Å; G404-I407 PolarHBondContact O-N 3.28Å; F405-I407 VanDerWaalsContact C-N 3.31Å; F405-I407 PolarHBondContact O-N 2.89Å; I407-A409 VanDerWaalsContact C-N 3.28Å; I407-A409 PolarHBondContact O-N 3.42Å; I407-I410 PolarHBondContact O-N 3.37Å; I407-I410 VanDerWaalsContact O-N 3.15Å; I407-Y411 HydrophobicContact CG2-CD2 3.63Å; I407-Y411 HydrophobicContact CG2-CE2 3.55Å; I407-Y411 WeakPolarHBondContact O-CD2 3.24Å; I407-Y411 PolarHBondContact O-N 3.37Å; I407-V455 HydrophobicContact CB-CG1 4.22Å; I407-V455 HydrophobicContact CG2-CG1 3.5Å; I407-V455 VanDerWaalsContact CG2-CG1 3.5Å
408	N	94.6	Very high	92.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.5	-34.5	175.4	-72.3	-14.8	0	0	0	111.8	V197 G404 F405 S412 F452 G454 V455	V197-N408 HydrophobicContact CB-CB 4.46Å; V197-N408 HydrophobicContact CG2-CB 4.41Å; G404-N408 VanDerWaalsContact O-CB 3.31Å; G404-N408 WeakPolarHBondContact O-CB 3.41Å; G404-N408 PolarHBondContact O-N 3.03Å; G404-N408 PolarHBondContact O-ND2 3.28Å; F405-N408 PolarHBondContact O-N 3.06Å; N408-S412 WeakPolarHBondContact O-CB 3.29Å; N408-S412 PolarHBondContact O-N 2.85Å; N408-F452 WeakPolarHBondContact O-CZ 3.48Å; N408-G454 VanDerWaalsContact OD1-CA 3.22Å; N408-G454 WeakPolarHBondContact OD1-CA 3.44Å; N408-V455 PolarHBondContact OD1-N 3.37Å
409	A	96.3	Very high	93.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.9	-39.7	173.6	0	0	0	0	0	112.5	I153 I176 V197 F405 V406 I407 S412 M413	I153-A409 HydrophobicContact CG2-CB 4.14Å; I176-A409 HydrophobicContact CG2-CB 3.78Å; V197-A409 HydrophobicContact CG1-CB 4.42Å; V197-A409 HydrophobicContact CG2-CB 3.99Å; F405-A409 WeakPolarHBondContact O-CB 3.17Å; F405-A409 PolarHBondContact O-N 3.49Å; V406-A409 PolarHBondContact O-N 2.91Å; I407-A409 VanDerWaalsContact C-N 3.28Å; I407-A409 PolarHBondContact O-N 3.42Å; A409-S412 WeakPolarHBondContact O-CB 3.13Å; A409-S412 PolarHBondContact O-N 2.8Å; A409-M413 PolarHBondContact O-N 2.89Å; A409-M413 VanDerWaalsContact O-N 3.08Å
410	I	96.7	Very high	93.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-66.4	-46.3	176.1	-61.1	158.3	0	0	0	110.7	M74 T77 L78 I81 I153 V406 I407 S412 M413 A414	M74-I410 HydrophobicContact CB-CD1 3.88Å; M74-I410 HydrophobicContact CG-CD1 3.76Å; M74-I410 HydrophobicContact CG-CG1 4.37Å; T77-I410 HydrophobicContact CG2-CB 4.02Å; T77-I410 HydrophobicContact CG2-CD1 4.18Å; T77-I410 HydrophobicContact CG2-CG2 3.67Å; L78-I410 HydrophobicContact CD2-CG2 3.92Å; L78-I410 HydrophobicContact CG-CG2 4.41Å; I81-I410 HydrophobicContact CD1-CG2 3.84Å; I153-I410 HydrophobicContact CD1-CB 4.18Å; I153-I410 HydrophobicContact CD1-CG1 3.53Å; V406-I410 HydrophobicContact CG1-CD1 4.25Å; V406-I410 WeakPolarHBondContact O-CD1 3.05Å; V406-I410 WeakPolarHBondContact O-CG1 3.48Å; V406-I410 PolarHBondContact O-N 3.4Å; I407-I410 PolarHBondContact O-N 3.37Å; I407-I410 VanDerWaalsContact O-N 3.15Å; I410-S412 VanDerWaalsContact C-N 3.31Å; I410-S412 PolarHBondContact O-N 3.04Å; I410-M413 PolarHBondContact O-N 2.96Å; I410-A414 PolarHBondContact O-N 3.11Å
411	Y	95.9	Very high	94.1	Very high	42 Å²	42	11.9 Å²	11.9	17%	0.165	6%	0.057	C	C	.	.	H	α-helix	trans	-62.6	-37.5	174.2	-82	-70.2	0	0	0	112.1	T77 I81 I87 I407 M413 A414 F415	T77-Y411 HydrophobicContact CG2-CD2 4.33Å; T77-Y411 HydrophobicContact CG2-CE2 3.93Å; I81-Y411 HydrophobicContact CD1-CD1 4.04Å; I81-Y411 HydrophobicContact CD1-CE1 3.96Å; I81-Y411 HydrophobicContact CG1-CD1 4.17Å; I81-Y411 HydrophobicContact CG1-CE1 3.64Å; I87-Y411 HydrophobicContact CD1-CE1 4.45Å; I407-Y411 HydrophobicContact CG2-CD2 3.63Å; I407-Y411 HydrophobicContact CG2-CE2 3.55Å; I407-Y411 WeakPolarHBondContact O-CD2 3.24Å; I407-Y411 PolarHBondContact O-N 3.37Å; Y411-M413 VanDerWaalsContact C-N 3.33Å; Y411-M413 PolarHBondContact O-N 3.15Å; Y411-A414 PolarHBondContact O-N 3.01Å; Y411-F415 HydrophobicContact CD1-CE2 4.07Å; Y411-F415 WeakPolarHBondContact O-CB 3.49Å; Y411-F415 WeakPolarHBondContact O-CD2 3.25Å; Y411-F415 PolarHBondContact O-N 3.06Å
412	S	96.3	Very high	94.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.2	-43.3	174.5	-169.6	0	0	0	0	112	N408 A409 I410 G416 L447 F462	N408-S412 WeakPolarHBondContact O-CB 3.29Å; N408-S412 PolarHBondContact O-N 2.85Å; A409-S412 WeakPolarHBondContact O-CB 3.13Å; A409-S412 PolarHBondContact O-N 2.8Å; I410-S412 VanDerWaalsContact C-N 3.31Å; I410-S412 PolarHBondContact O-N 3.04Å; S412-G416 PolarHBondContact O-N 3.06Å; S412-L447 WeakPolarHBondContact O-CD2 3.28Å; S412-F462 VanDerWaalsContact OG-CE2 3.31Å; S412-F462 WeakPolarHBondContact OG-CE2 3.36Å; S412-F462 VanDerWaalsContact OG-CZ 3.31Å; S412-F462 WeakPolarHBondContact OG-CZ 3.31Å
413	M	96.6	Very high	94.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.8	-44.9	175.2	-167.1	66.4	76.7	0	0	111.3	I39 I176 A409 I410 Y411 G416 L417 L443 L447	I39-M413 HydrophobicContact CD1-CB 4.35Å; I39-M413 HydrophobicContact CD1-CG 3.74Å; I39-M413 HydrophobicContact CG1-CG 4.15Å; I176-M413 HydrophobicContact CD1-CB 4.2Å; I176-M413 HydrophobicContact CD1-CE 3.7Å; I176-M413 HydrophobicContact CD1-SD 4.28Å; I176-M413 HydrophobicContact CG1-CE 3.9Å; A409-M413 PolarHBondContact O-N 2.89Å; A409-M413 VanDerWaalsContact O-N 3.08Å; I410-M413 PolarHBondContact O-N 2.96Å; Y411-M413 VanDerWaalsContact C-N 3.33Å; Y411-M413 PolarHBondContact O-N 3.15Å; M413-G416 PolarHBondContact O-N 3.2Å; M413-L417 HydrophobicContact CG-CD1 4.28Å; M413-L417 WeakPolarHBondContact O-CG 3.47Å; M413-L417 PolarHBondContact O-N 2.84Å; M413-L443 HydrophobicContact SD-CD2 4.45Å; M413-L447 HydrophobicContact SD-CD1 4.25Å; M413-L447 HydrophobicContact SD-CD2 4.34Å
414	A	96.3	Very high	94.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.8	-42.8	178.8	0	0	0	0	0	113	I81 I87 L88 L93 I410 Y411 H418	I81-A414 HydrophobicContact CD1-CB 4Å; I81-A414 HydrophobicContact CG2-CB 4.29Å; I87-A414 HydrophobicContact CG2-CB 4.31Å; L88-A414 HydrophobicContact CD1-CB 4.2Å; L93-A414 HydrophobicContact CD1-CB 4.03Å; I410-A414 PolarHBondContact O-N 3.11Å; Y411-A414 PolarHBondContact O-N 3.01Å; A414-H418 VanDerWaalsContact O-CB 3.23Å; A414-H418 WeakPolarHBondContact O-CB 3.45Å; A414-H418 PolarHBondContact O-N 3Å
415	F	96	Very high	94.9	Very high	47 Å²	47	22.3 Å²	22.3	21%	0.206	11%	0.107	C	C	.	.	H	α-helix	trans	-68.7	-34	175	-79.8	-65.3	0	0	0	112.5	I87 Y411 H418 N419 T450 F452	I87-F415 HydrophobicContact CD1-CE1 3.74Å; I87-F415 HydrophobicContact CD1-CE2 4.1Å; I87-F415 HydrophobicContact CD1-CZ 3.46Å; I87-F415 VanDerWaalsContact CD1-CZ 3.46Å; I87-F415 HydrophobicContact CG1-CE1 3.96Å; I87-F415 HydrophobicContact CG1-CZ 4.19Å; Y411-F415 HydrophobicContact CD1-CE2 4.07Å; Y411-F415 WeakPolarHBondContact O-CB 3.49Å; Y411-F415 WeakPolarHBondContact O-CD2 3.25Å; Y411-F415 PolarHBondContact O-N 3.06Å; F415-H418 PolarHBondContact O-N 3.12Å; F415-N419 WeakPolarHBondContact O-CB 3.18Å; F415-N419 PolarHBondContact O-N 2.93Å; F415-N419 PolarHBondContact O-ND2 3.14Å; F415-T450 HydrophobicContact CB-CG2 4.2Å; F415-F452 HydrophobicContact CB-CD1 4.4Å; F415-F452 HydrophobicContact CD2-CB 3.57Å; F415-F452 AromaticContact CD2-CD1 3.73Å; F415-F452 HydrophobicContact CD2-CD1 3.73Å; F415-F452 AromaticContact CD2-CD2 3.69Å; F415-F452 HydrophobicContact CD2-CD2 3.69Å; F415-F452 HydrophobicContact CD2-CE1 4.35Å; F415-F452 HydrophobicContact CD2-CE2 4.31Å; F415-F452 AromaticContact CD2-CG 3.37Å; F415-F452 HydrophobicContact CD2-CG 3.37Å; F415-F452 HydrophobicContact CE1-CB 4.44Å; F415-F452 HydrophobicContact CE2-CB 3.5Å; F415-F452 HydrophobicContact CE2-CD1 4.39Å; F415-F452 AromaticContact CE2-CD2 3.59Å; F415-F452 HydrophobicContact CE2-CD2 3.59Å; F415-F452 HydrophobicContact CE2-CE2 4.43Å; F415-F452 AromaticContact CE2-CG 3.57Å; F415-F452 HydrophobicContact CE2-CG 3.57Å; F415-F452 HydrophobicContact CG-CB 4.11Å; F415-F452 HydrophobicContact CG-CD1 4.3Å; F415-F452 HydrophobicContact CG-CG 4.19Å; F415-F452 HydrophobicContact CZ-CB 3.96Å
416	G	95.8	Very high	94.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.3	-52.3	171.7	0	0	0	0	0	112	S412 M413 H418 N419 M420	S412-G416 PolarHBondContact O-N 3.06Å; M413-G416 PolarHBondContact O-N 3.2Å; G416-H418 VanDerWaalsContact C-N 3.28Å; G416-H418 PolarHBondContact O-N 3.13Å; G416-N419 PolarHBondContact O-N 3.05Å; G416-M420 WeakPolarHBondContact O-CB 3.41Å; G416-M420 PolarHBondContact O-N 2.91Å
417	L	95.3	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-37	174.3	-70.3	168.1	0	0	0	112.1	I37 L88 L93 V150 M413 M420 Q421 I438 L443	I37-L417 HydrophobicContact CD1-CD1 4.18Å; I37-L417 HydrophobicContact CD1-CD2 4.28Å; I37-L417 HydrophobicContact CG2-CD1 4.17Å; L88-L417 HydrophobicContact CD1-CB 4.23Å; L88-L417 HydrophobicContact CD2-CB 4.01Å; L93-L417 HydrophobicContact CD2-CD1 4.02Å; V150-L417 HydrophobicContact CG2-CD1 4.46Å; V150-L417 HydrophobicContact CG2-CD2 4.46Å; M413-L417 HydrophobicContact CG-CD1 4.28Å; M413-L417 WeakPolarHBondContact O-CG 3.47Å; M413-L417 PolarHBondContact O-N 2.84Å; L417-M420 PolarHBondContact O-N 3.38Å; L417-Q421 VanDerWaalsContact O-CB 3.23Å; L417-Q421 WeakPolarHBondContact O-CB 3.4Å; L417-Q421 PolarHBondContact O-N 3.17Å; L417-I438 HydrophobicContact CD2-CD1 3.92Å; L417-L443 HydrophobicContact CD2-CD1 3.83Å; L417-L443 HydrophobicContact CD2-CD2 4.03Å; L417-L443 HydrophobicContact CG-CD1 4.19Å
418	H	94.9	Very high	93.8	Very high	11 Å²	11	36.5 Å²	36.5	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-69.6	-39.9	178	-170	51.3	0	0	0	112.7	N86 I87 L88 P89 A414 F415 G416 Q421 R422	N86-H418 PolarHBondContact O-NE2 3.31Å; I87-H418 HydrophobicContact CG2-CB 4.32Å; L88-H418 WeakPolarHBondContact CA-CE1 3.46Å; L88-H418 HydrophobicContact CD2-CB 4.13Å; L88-H418 HydrophobicContact CG-CB 4.13Å; L88-H418 PolarHBondContact N-CE1 3.46Å; L88-H418 PolarHBondContact N-ND1 2.95Å; L88-H418 VanDerWaalsContact N-ND1 3.13Å; P89-H418 WeakPolarHBondContact CD-NE2 3.02Å; A414-H418 VanDerWaalsContact O-CB 3.23Å; A414-H418 WeakPolarHBondContact O-CB 3.45Å; A414-H418 PolarHBondContact O-N 3Å; F415-H418 PolarHBondContact O-N 3.12Å; G416-H418 VanDerWaalsContact C-N 3.28Å; G416-H418 PolarHBondContact O-N 3.13Å; H418-Q421 PolarHBondContact CE1-OE1 3.24Å; H418-Q421 PolarHBondContact O-N 3.34Å; H418-R422 WeakPolarHBondContact O-CB 3.3Å; H418-R422 WeakPolarHBondContact O-CG 3.44Å; H418-R422 PolarHBondContact O-N 2.62Å
419	N	94.8	Very high	93.3	Very high	54 Å²	54	43.2 Å²	43.2	29%	0.289	23%	0.234	S	C	.	.	H	α-helix	trans	-66.9	-41.3	174.3	-71.7	-19	0	0	0	111.2	F415 G416 R422 S423 F446	F415-N419 WeakPolarHBondContact O-CB 3.18Å; F415-N419 PolarHBondContact O-N 2.93Å; F415-N419 PolarHBondContact O-ND2 3.14Å; G416-N419 PolarHBondContact O-N 3.05Å; N419-R422 PolarHBondContact O-N 2.81Å; N419-S423 VanDerWaalsContact O-CB 3.29Å; N419-S423 WeakPolarHBondContact O-CB 3.32Å; N419-S423 PolarHBondContact O-N 2.84Å; N419-F446 HydrophobicContact CB-CD1 4.06Å
420	M	94.6	Very high	92.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-47.6	172.1	-173.7	174.4	-175.4	0	0	111.3	G416 L417 R422 S423 L424 M435 I438 T442 L443 F446	G416-M420 WeakPolarHBondContact O-CB 3.41Å; G416-M420 PolarHBondContact O-N 2.91Å; L417-M420 PolarHBondContact O-N 3.38Å; M420-R422 PolarHBondContact O-N 2.92Å; M420-S423 PolarHBondContact O-N 2.99Å; M420-S423 VanDerWaalsContact O-N 3.17Å; M420-L424 HydrophobicContact CE-CD1 3.57Å; M420-L424 HydrophobicContact CG-CD1 3.61Å; M420-L424 HydrophobicContact CG-CG 4.23Å; M420-L424 WeakPolarHBondContact O-CB 3.19Å; M420-L424 WeakPolarHBondContact O-CG 3.42Å; M420-L424 PolarHBondContact O-N 2.96Å; M420-L424 HydrophobicContact SD-CD1 4.46Å; M420-M435 HydrophobicContact CB-CE 4.32Å; M420-M435 HydrophobicContact CG-CE 3.94Å; M420-M435 HydrophobicContact CG-SD 4.44Å; M420-M435 HydrophobicContact SD-CE 4.08Å; M420-I438 HydrophobicContact CE-CG2 3.88Å; M420-I438 HydrophobicContact SD-CG2 3.99Å; M420-T442 HydrophobicContact CE-CG2 3.84Å; M420-L443 HydrophobicContact SD-CB 4.1Å; M420-L443 HydrophobicContact SD-CD1 4Å; M420-F446 HydrophobicContact CB-CB 4.4Å; M420-F446 HydrophobicContact CB-CD2 3.58Å; M420-F446 HydrophobicContact CB-CE2 3.97Å; M420-F446 HydrophobicContact CB-CG 3.94Å; M420-F446 HydrophobicContact CG-CD2 3.71Å; M420-F446 HydrophobicContact CG-CE2 3.81Å; M420-F446 HydrophobicContact SD-CD2 4.41Å
421	Q	93.9	Very high	92.5	Very high	9 Å²	9	44.2 Å²	44.2	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-44.8	177.9	-173	-85.8	-22	0	0	112.5	I91 L417 H418 S423 C425 Y428 M435	I91-Q421 HydrophobicContact CD1-CG 3.92Å; L417-Q421 VanDerWaalsContact O-CB 3.23Å; L417-Q421 WeakPolarHBondContact O-CB 3.4Å; L417-Q421 PolarHBondContact O-N 3.17Å; H418-Q421 PolarHBondContact CE1-OE1 3.24Å; H418-Q421 PolarHBondContact O-N 3.34Å; Q421-S423 VanDerWaalsContact C-N 3.28Å; Q421-S423 PolarHBondContact O-N 3.35Å; Q421-C425 CarbonylContact O-C 3.56Å; Q421-C425 WeakPolarHBondContact O-CA 3.44Å; Q421-C425 VanDerWaalsContact O-CB 3.32Å; Q421-C425 WeakPolarHBondContact O-CB 3.48Å; Q421-C425 PolarHBondContact O-N 3.19Å; Q421-Y428 PolarHBondContact NE2-O 2.82Å; Q421-M435 HydrophobicContact CB-CE 4.29Å; Q421-M435 HydrophobicContact CB-SD 3.95Å; Q421-M435 HydrophobicContact CG-SD 4.3Å
422	R	92.6	Very high	92.2	Very high	149 Å²	149	43.2 Å²	43.2	56%	0.562	24%	0.239	S	C	*	.	H	α-helix	trans	-64.3	-31.2	175.1	-73.9	179.3	179.6	-155.2	1.1	113.1	H418 N419 M420	H418-R422 WeakPolarHBondContact O-CB 3.3Å; H418-R422 WeakPolarHBondContact O-CG 3.44Å; H418-R422 PolarHBondContact O-N 2.62Å; N419-R422 PolarHBondContact O-N 2.81Å; M420-R422 PolarHBondContact O-N 2.92Å
423	S	94	Very high	91.8	Very high	71 Å²	71	49.2 Å²	49.2	50%	0.497	27%	0.271	S	S	.	.	H	α-helix	trans	-88.5	-31.8	-176.7	-169.6	0	0	0	0	114.2	N419 M420 Q421 F446	N419-S423 VanDerWaalsContact O-CB 3.29Å; N419-S423 WeakPolarHBondContact O-CB 3.32Å; N419-S423 PolarHBondContact O-N 2.84Å; M420-S423 PolarHBondContact O-N 2.99Å; M420-S423 VanDerWaalsContact O-N 3.17Å; Q421-S423 VanDerWaalsContact C-N 3.28Å; Q421-S423 PolarHBondContact O-N 3.35Å; S423-F446 VanDerWaalsContact CB-CZ 3.48Å
424	L	93.1	Very high	91.4	Very high	60 Å²	60	52.2 Å²	52.2	31%	0.314	30%	0.296	S	S	.	.	H	α-helix	trans	-102	-27.4	-176.7	-60.1	-176.5	0	0	0	113	M420 P426 A434 M435 T442	M420-L424 HydrophobicContact CE-CD1 3.57Å; M420-L424 HydrophobicContact CG-CD1 3.61Å; M420-L424 HydrophobicContact CG-CG 4.23Å; M420-L424 WeakPolarHBondContact O-CB 3.19Å; M420-L424 WeakPolarHBondContact O-CG 3.42Å; M420-L424 PolarHBondContact O-N 2.96Å; M420-L424 HydrophobicContact SD-CD1 4.46Å; L424-P426 WeakPolarHBondContact O-CD 3.01Å; L424-A434 HydrophobicContact CB-CB 4.36Å; L424-M435 HydrophobicContact CB-CG 4.48Å; L424-M435 HydrophobicContact CD1-CG 4.29Å; L424-T442 HydrophobicContact CD1-CG2 4.25Å
425	C	92.4	Very high	91	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.034	30%	0.296	C	S	.	.	S	Bend	trans	-118.2	50.2	179.1	-53.5	0	0	0	0	112.3	Q421 G427 Y428 C432	Q421-C425 CarbonylContact O-C 3.56Å; Q421-C425 WeakPolarHBondContact O-CA 3.44Å; Q421-C425 VanDerWaalsContact O-CB 3.32Å; Q421-C425 WeakPolarHBondContact O-CB 3.48Å; Q421-C425 PolarHBondContact O-N 3.19Å; C425-G427 PolarHBondContact O-N 3.32Å; C425-Y428 PolarHBondContact O-N 2.75Å; C425-C432 VanDerWaalsContact CA-SG 3.52Å; C425-C432 HydrophobicContact CB-CB 3.77Å; C425-C432 WeakPolarHBondContact CB-SG 3.45Å; C425-C432 WeakPolarHBondContact SG-CB 3.12Å; C425-C432 PolarHBondContact SG-N 2.98Å; C425-C432 VanDerWaalsContact SG-N 3.4Å; C425-C432 CovalentContact SG-SG 2.04Å; C425-C432 PolarHBondContact SG-SG 3.49Å
426	P	89.7	Confident	90.6	Very high	102 Å²	102	57 Å²	57	66%	0.662	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	122	-173.2	26.9	-35.6	0	0	0	112	L424 Y428	L424-P426 WeakPolarHBondContact O-CD 3.01Å; P426-Y428 VanDerWaalsContact C-N 3.32Å
427	G	83.6	Confident	90.1	Very high	92 Å²	92	62.5 Å²	62.5	95%	0.948	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-0.4	-179.3	0	0	0	0	0	115.4	C425	C425-G427 PolarHBondContact O-N 3.32Å
428	Y	87.3	Confident	89.8	Confident	123 Å²	123	63.9 Å²	63.9	48%	0.482	36%	0.355	S	S	.	.			trans	-96.7	145.6	175.9	-169.1	-95.3	0	0	0	111.2	Q421 C425 P426 G430 L431 C432	Q421-Y428 PolarHBondContact NE2-O 2.82Å; C425-Y428 PolarHBondContact O-N 2.75Å; P426-Y428 VanDerWaalsContact C-N 3.32Å; Y428-G430 WeakPolarHBondContact CD1-O 3.46Å; Y428-L431 WeakPolarHBondContact CE1-O 3.44Å; Y428-C432 HydrophobicContact CD1-CB 3.93Å; Y428-C432 HydrophobicContact CE1-CB 4.19Å; Y428-C432 HydrophobicContact CG-CB 4.26Å
429	Q	83.3	Confident	89.5	Confident	141 Å²	141	66.6 Å²	66.6	66%	0.659	37%	0.37	S	S	*	.	S	Bend	trans	-107.3	115.6	175.7	-71.2	-175.1	-14.7	0	0	109.9	N90	N90-Q429 HydrophobicContact CB-CB 4.17Å; N90-Q429 PolarHBondContact ND2-O 2.73Å
430	G	87.1	Confident	89.3	Confident	3 Å²	3	64.6 Å²	64.6	3%	0.031	36%	0.362	C	S	.	.	S	Bend	trans	105	-168.7	-170.7	0	0	0	0	0	113.3	P89 N90 Y428	P89-G430 PolarHBondContact O-N 3.48Å; N90-G430 VanDerWaalsContact O-CA 3.28Å; N90-G430 WeakPolarHBondContact O-CA 3.34Å; Y428-G430 WeakPolarHBondContact CD1-O 3.46Å
431	L	88.3	Confident	89.2	Confident	18 Å²	18	65.8 Å²	65.8	9%	0.094	37%	0.372	C	S	.	.			trans	-81.3	119.4	174.8	-72	168.6	0	0	0	111	D36 I37 I91 Y428 M435 I438	D36-L431 HydrophobicContact CB-CD1 4.22Å; I37-L431 HydrophobicContact CD1-CD2 4.18Å; I37-L431 HydrophobicContact CG1-CD1 4.03Å; I91-L431 HydrophobicContact CD1-CD2 4.07Å; I91-L431 HydrophobicContact CD1-CG 4.02Å; I91-L431 HydrophobicContact CG1-CG 4.31Å; Y428-L431 WeakPolarHBondContact CE1-O 3.44Å; L431-M435 HydrophobicContact CD2-CB 3.7Å; L431-M435 HydrophobicContact CD2-CE 3.87Å; L431-M435 HydrophobicContact CD2-SD 4.07Å; L431-I438 HydrophobicContact CD2-CD1 4.28Å
432	C	90.1	Very high	89.3	Confident	20 Å²	20	67.8 Å²	67.8	14%	0.135	39%	0.385	C	S	.	.			trans	-87.8	171.7	166.5	75.9	0	0	0	0	111.2	C425 Y428 A434 M435	C425-C432 VanDerWaalsContact CA-SG 3.52Å; C425-C432 HydrophobicContact CB-CB 3.77Å; C425-C432 WeakPolarHBondContact CB-SG 3.45Å; C425-C432 WeakPolarHBondContact SG-CB 3.12Å; C425-C432 PolarHBondContact SG-N 2.98Å; C425-C432 VanDerWaalsContact SG-N 3.4Å; C425-C432 CovalentContact SG-SG 2.04Å; C425-C432 PolarHBondContact SG-SG 3.49Å; Y428-C432 HydrophobicContact CD1-CB 3.93Å; Y428-C432 HydrophobicContact CE1-CB 4.19Å; Y428-C432 HydrophobicContact CG-CB 4.26Å; C432-A434 PolarHBondContact O-N 3.19Å; C432-M435 PolarHBondContact O-N 2.64Å
433	D	88.4	Confident	89.4	Confident	127 Å²	127	60.7 Å²	60.7	68%	0.679	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-66.7	-24	-172.3	-52.9	-44.4	0	0	0	113.5	M435 R436	D433-M435 PolarHBondContact O-N 3.38Å; D433-R436 PolarHBondContact O-N 3.23Å; D433-R436 IonicContact OD1-NH1 2.66Å
434	A	88.1	Confident	89.5	Confident	62 Å²	62	57.9 Å²	57.9	51%	0.512	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-66.6	-2.2	170.4	0	0	0	0	0	114.3	L424 C432	L424-A434 HydrophobicContact CB-CB 4.36Å; C432-A434 PolarHBondContact O-N 3.19Å
435	M	88.8	Confident	89.6	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.015	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-124.5	24.4	173.2	-62.9	-176.6	71.2	0	0	111.7	M420 Q421 L424 L431 C432 D433 P437 I438	M420-M435 HydrophobicContact CB-CE 4.32Å; M420-M435 HydrophobicContact CG-CE 3.94Å; M420-M435 HydrophobicContact CG-SD 4.44Å; M420-M435 HydrophobicContact SD-CE 4.08Å; Q421-M435 HydrophobicContact CB-CE 4.29Å; Q421-M435 HydrophobicContact CB-SD 3.95Å; Q421-M435 HydrophobicContact CG-SD 4.3Å; L424-M435 HydrophobicContact CB-CG 4.48Å; L424-M435 HydrophobicContact CD1-CG 4.29Å; L431-M435 HydrophobicContact CD2-CB 3.7Å; L431-M435 HydrophobicContact CD2-CE 3.87Å; L431-M435 HydrophobicContact CD2-SD 4.07Å; C432-M435 PolarHBondContact O-N 2.64Å; D433-M435 PolarHBondContact O-N 3.38Å; M435-P437 VanDerWaalsContact C-C 3.44Å; M435-P437 CarbonylContact C-O 3.48Å; M435-P437 VanDerWaalsContact C-O 3.24Å; M435-P437 CarbonylContact O-C 3.48Å; M435-I438 HydrophobicContact CB-CG1 4.07Å; M435-I438 HydrophobicContact CE-CD1 3.83Å; M435-I438 HydrophobicContact CE-CG1 4.37Å; M435-I438 VanDerWaalsContact O-CG1 3.26Å; M435-I438 WeakPolarHBondContact O-CG1 3.39Å
436	R	85.8	Confident	89.7	Confident	146 Å²	146	61.3 Å²	61.3	55%	0.551	35%	0.354	S	S	*	.	S	Bend	trans	-133.5	91.7	-179.7	-69.4	177.7	169.6	172.6	-4.6	111	D433	D433-R436 PolarHBondContact O-N 3.23Å; D433-R436 IonicContact OD1-NH1 2.66Å
437	P	86	Confident	90	Very high	114 Å²	114	56.5 Å²	56.5	74%	0.74	32%	0.323	S	S	*	.	S	Bend	cis	-74.6	171.8	-2.3	32.6	-36.7	0	0	0	113.5	M435	M435-P437 VanDerWaalsContact C-C 3.44Å; M435-P437 CarbonylContact C-O 3.48Å; M435-P437 VanDerWaalsContact C-O 3.24Å; M435-P437 CarbonylContact O-C 3.48Å
438	I	89.1	Confident	90.5	Very high	29 Å²	29	54.3 Å²	54.3	15%	0.149	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-84.6	119.1	170.7	-64.6	-172.7	0	0	0	108.7	I37 V150 L417 M420 L431 M435 L443	I37-I438 HydrophobicContact CD1-CD1 3.96Å; I37-I438 HydrophobicContact CG1-CD1 4.34Å; V150-I438 HydrophobicContact CG1-CB 4.2Å; V150-I438 HydrophobicContact CG1-CD1 4.26Å; L417-I438 HydrophobicContact CD2-CD1 3.92Å; M420-I438 HydrophobicContact CE-CG2 3.88Å; M420-I438 HydrophobicContact SD-CG2 3.99Å; L431-I438 HydrophobicContact CD2-CD1 4.28Å; M435-I438 HydrophobicContact CB-CG1 4.07Å; M435-I438 HydrophobicContact CE-CD1 3.83Å; M435-I438 HydrophobicContact CE-CG1 4.37Å; M435-I438 VanDerWaalsContact O-CG1 3.26Å; M435-I438 WeakPolarHBondContact O-CG1 3.39Å; I438-L443 HydrophobicContact CG2-CB 4.45Å; I438-L443 HydrophobicContact CG2-CD2 4.26Å
439	D	89	Confident	90.9	Very high	69 Å²	69	55.2 Å²	55.2	37%	0.369	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-75.4	123.6	170	166.5	41.8	0	0	0	111.3	A441 T442 L443	D439-A441 VanDerWaalsContact C-N 3.35Å; D439-A441 PolarHBondContact O-N 2.82Å; D439-A441 WeakPolarHBondContact OD1-CB 3.5Å; D439-A441 PolarHBondContact OD1-N 3.05Å; D439-T442 PolarHBondContact O-N 3.43Å; D439-T442 VanDerWaalsContact OD2-CB 3.24Å; D439-T442 WeakPolarHBondContact OD2-CB 3.47Å; D439-T442 PolarHBondContact OD2-N 2.84Å; D439-T442 PolarHBondContact OD2-OG1 3.08Å; D439-L443 WeakPolarHBondContact O-CB 3.49Å; D439-L443 PolarHBondContact O-N 2.98Å
440	G	91.1	Very high	91.2	Very high	11 Å²	11	48.7 Å²	48.7	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-70.1	-24.4	178.2	0	0	0	0	0	114.6	N172 L444	N172-G440 CarbonylContact O-C 3.57Å; N172-G440 WeakPolarHBondContact O-CA 3.39Å; G440-L444 WeakPolarHBondContact O-CB 3.39Å; G440-L444 PolarHBondContact O-N 3.03Å
441	A	92.8	Very high	91.5	Very high	28 Å²	28	54.3 Å²	54.3	23%	0.231	29%	0.294	C	S	.	.	H	α-helix	trans	-68.9	-46.7	173.3	0	0	0	0	0	111.3	D439 L444 D445	D439-A441 VanDerWaalsContact C-N 3.35Å; D439-A441 PolarHBondContact O-N 2.82Å; D439-A441 WeakPolarHBondContact OD1-CB 3.5Å; D439-A441 PolarHBondContact OD1-N 3.05Å; A441-L444 PolarHBondContact O-N 2.91Å; A441-D445 PolarHBondContact O-N 3.23Å
442	T	94.1	Very high	91.7	Very high	50 Å²	50	54.1 Å²	54.1	31%	0.307	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-40.9	172.5	-59	0	0	0	0	111.4	M420 L424 D439 L444 D445 F446	M420-T442 HydrophobicContact CE-CG2 3.84Å; L424-T442 HydrophobicContact CD1-CG2 4.25Å; D439-T442 PolarHBondContact O-N 3.43Å; D439-T442 VanDerWaalsContact OD2-CB 3.24Å; D439-T442 WeakPolarHBondContact OD2-CB 3.47Å; D439-T442 PolarHBondContact OD2-N 2.84Å; D439-T442 PolarHBondContact OD2-OG1 3.08Å; T442-L444 PolarHBondContact O-N 3.41Å; T442-D445 WeakPolarHBondContact O-CB 3.33Å; T442-D445 PolarHBondContact O-N 3.46Å; T442-F446 HydrophobicContact CG2-CD2 4.17Å; T442-F446 HydrophobicContact CG2-CE2 3.79Å; T442-F446 VanDerWaalsContact O-CD2 3.26Å; T442-F446 WeakPolarHBondContact O-CD2 3.35Å; T442-F446 PolarHBondContact O-N 2.98Å
443	L	95.5	Very high	91.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-40.7	176.9	-179.2	55.9	0	0	0	112.4	V150 P174 M413 L417 M420 I438 D439 D445 F446 L447	V150-L443 WeakPolarHBondContact O-CD2 3.29Å; P174-L443 HydrophobicContact CG-CD2 3.95Å; P174-L443 HydrophobicContact CG-CG 4.27Å; M413-L443 HydrophobicContact SD-CD2 4.45Å; L417-L443 HydrophobicContact CD2-CD1 3.83Å; L417-L443 HydrophobicContact CD2-CD2 4.03Å; L417-L443 HydrophobicContact CG-CD1 4.19Å; M420-L443 HydrophobicContact SD-CB 4.1Å; M420-L443 HydrophobicContact SD-CD1 4Å; I438-L443 HydrophobicContact CG2-CB 4.45Å; I438-L443 HydrophobicContact CG2-CD2 4.26Å; D439-L443 WeakPolarHBondContact O-CB 3.49Å; D439-L443 PolarHBondContact O-N 2.98Å; L443-D445 VanDerWaalsContact C-N 3.28Å; L443-D445 PolarHBondContact O-N 2.65Å; L443-F446 PolarHBondContact O-N 3.34Å; L443-F446 VanDerWaalsContact O-N 3.13Å; L443-L447 HydrophobicContact CD1-CD1 4.39Å; L443-L447 HydrophobicContact CD1-CG 4.21Å; L443-L447 HydrophobicContact CG-CD1 3.95Å; L443-L447 HydrophobicContact CG-CG 4.28Å; L443-L447 WeakPolarHBondContact O-CG 3.33Å; L443-L447 PolarHBondContact O-N 3.11Å
444	L	95.5	Very high	91.7	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-57	-42.4	174.7	-178.2	69.8	0	0	0	111.6	K192 Y193 M195 G440 A441 T442 F446 L447 M448	K192-L444 HydrophobicContact CG-CD2 4.13Å; Y193-L444 HydrophobicContact CD1-CB 4.26Å; Y193-L444 HydrophobicContact CD1-CD2 3.76Å; Y193-L444 HydrophobicContact CD1-CG 4.41Å; Y193-L444 HydrophobicContact CE1-CB 4.27Å; Y193-L444 HydrophobicContact CE1-CD2 3.89Å; Y193-L444 HydrophobicContact CG-CD2 4.48Å; M195-L444 HydrophobicContact CG-CD1 4.23Å; M195-L444 HydrophobicContact SD-CD1 3.81Å; G440-L444 WeakPolarHBondContact O-CB 3.39Å; G440-L444 PolarHBondContact O-N 3.03Å; A441-L444 PolarHBondContact O-N 2.91Å; T442-L444 PolarHBondContact O-N 3.41Å; L444-F446 VanDerWaalsContact C-N 3.25Å; L444-F446 PolarHBondContact O-N 3.04Å; L444-L447 PolarHBondContact O-N 2.03Å; L444-M448 HydrophobicContact CD1-CG 4.21Å; L444-M448 HydrophobicContact CG-CG 4.31Å; L444-M448 WeakPolarHBondContact O-CG 3.29Å; L444-M448 PolarHBondContact O-N 2.76Å
445	D	94.9	Very high	91.7	Very high	97 Å²	97	52.4 Å²	52.4	52%	0.519	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-26.9	178.5	-102	-15.2	0	0	0	113.6	A441 T442 L443 K449	A441-D445 PolarHBondContact O-N 3.23Å; T442-D445 WeakPolarHBondContact O-CB 3.33Å; T442-D445 PolarHBondContact O-N 3.46Å; L443-D445 VanDerWaalsContact C-N 3.28Å; L443-D445 PolarHBondContact O-N 2.65Å; D445-K449 WeakPolarHBondContact O-CD 3.26Å; D445-K449 WeakPolarHBondContact O-CG 3.39Å; D445-K449 PolarHBondContact O-NZ 3.03Å; D445-K449 IonicContact OD1-NZ 3.4Å
446	F	96.1	Very high	91.2	Very high	41 Å²	41	54.3 Å²	54.3	18%	0.18	30%	0.295	C	S	.	.	H	α-helix	trans	-82.8	-39.9	171	-74.6	-71.4	0	0	0	112.4	N419 M420 S423 T442 L443 L444 K449 T450	N419-F446 HydrophobicContact CB-CD1 4.06Å; M420-F446 HydrophobicContact CB-CB 4.4Å; M420-F446 HydrophobicContact CB-CD2 3.58Å; M420-F446 HydrophobicContact CB-CE2 3.97Å; M420-F446 HydrophobicContact CB-CG 3.94Å; M420-F446 HydrophobicContact CG-CD2 3.71Å; M420-F446 HydrophobicContact CG-CE2 3.81Å; M420-F446 HydrophobicContact SD-CD2 4.41Å; S423-F446 VanDerWaalsContact CB-CZ 3.48Å; T442-F446 HydrophobicContact CG2-CD2 4.17Å; T442-F446 HydrophobicContact CG2-CE2 3.79Å; T442-F446 VanDerWaalsContact O-CD2 3.26Å; T442-F446 WeakPolarHBondContact O-CD2 3.35Å; T442-F446 PolarHBondContact O-N 2.98Å; L443-F446 PolarHBondContact O-N 3.34Å; L443-F446 VanDerWaalsContact O-N 3.13Å; L444-F446 VanDerWaalsContact C-N 3.25Å; L444-F446 PolarHBondContact O-N 3.04Å; F446-K449 CarbonylContact O-C 3.6Å; F446-K449 PolarHBondContact O-N 3.38Å; F446-K449 VanDerWaalsContact O-N 3.15Å; F446-T450 PolarHBondContact O-N 3.13Å
447	L	95.9	Very high	91	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.7	-47.8	178	-73.8	169.6	0	0	0	112	P174 I176 M195 S412 M413 L443 L444 K449 T450 F462	P174-L447 HydrophobicContact CB-CD1 3.86Å; P174-L447 HydrophobicContact CG-CD1 4.05Å; I176-L447 HydrophobicContact CD1-CD1 4.46Å; I176-L447 HydrophobicContact CD1-CD2 4Å; M195-L447 HydrophobicContact CE-CB 4.02Å; M195-L447 HydrophobicContact SD-CB 3.61Å; M195-L447 HydrophobicContact SD-CD1 4.42Å; S412-L447 WeakPolarHBondContact O-CD2 3.28Å; M413-L447 HydrophobicContact SD-CD1 4.25Å; M413-L447 HydrophobicContact SD-CD2 4.34Å; L443-L447 HydrophobicContact CD1-CD1 4.39Å; L443-L447 HydrophobicContact CD1-CG 4.21Å; L443-L447 HydrophobicContact CG-CD1 3.95Å; L443-L447 HydrophobicContact CG-CG 4.28Å; L443-L447 WeakPolarHBondContact O-CG 3.33Å; L443-L447 PolarHBondContact O-N 3.11Å; L444-L447 PolarHBondContact O-N 2.03Å; L447-K449 PolarHBondContact O-N 3.47Å; L447-T450 PolarHBondContact O-N 2.79Å; L447-T450 PolarHBondContact O-OG1 3.22Å; L447-F462 WeakPolarHBondContact O-CD2 3.32Å
448	M	94.4	Very high	90.8	Very high	47 Å²	47	45.9 Å²	45.9	23%	0.232	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.4	176.9	-70.2	-67.4	-64.1	0	0	113.6	M195 L444 D463	M195-M448 HydrophobicContact CE-CG 4.28Å; M195-M448 HydrophobicContact CE-SD 3.71Å; M195-M448 HydrophobicContact CG-SD 4.03Å; M195-M448 HydrophobicContact SD-CG 4.18Å; M195-M448 HydrophobicContact SD-SD 3.84Å; L444-M448 HydrophobicContact CD1-CG 4.21Å; L444-M448 HydrophobicContact CG-CG 4.31Å; L444-M448 WeakPolarHBondContact O-CG 3.29Å; L444-M448 PolarHBondContact O-N 2.76Å; M448-D463 VanDerWaalsContact CE-O 3.24Å; M448-D463 WeakPolarHBondContact CE-O 3.44Å
449	K	94	Very high	90.7	Very high	141 Å²	141	46.2 Å²	46.2	61%	0.613	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	7.4	-179.1	-56.2	-178.5	-170.5	91.9	0	113.1	D445 F446 L447	D445-K449 WeakPolarHBondContact O-CD 3.26Å; D445-K449 WeakPolarHBondContact O-CG 3.39Å; D445-K449 PolarHBondContact O-NZ 3.03Å; D445-K449 IonicContact OD1-NZ 3.4Å; F446-K449 CarbonylContact O-C 3.6Å; F446-K449 PolarHBondContact O-N 3.38Å; F446-K449 VanDerWaalsContact O-N 3.15Å; L447-K449 PolarHBondContact O-N 3.47Å
450	T	91.6	Very high	90.7	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.025	26%	0.262	C	S	.	.			trans	-69.7	141.3	175.9	57.4	0	0	0	0	111.8	F415 F446 L447 F462	F415-T450 HydrophobicContact CB-CG2 4.2Å; F446-T450 PolarHBondContact O-N 3.13Å; L447-T450 PolarHBondContact O-N 2.79Å; L447-T450 PolarHBondContact O-OG1 3.22Å; T450-F462 WeakPolarHBondContact OG1-CE2 3.24Å
451	N	93.1	Very high	90.8	Very high	122 Å²	122	46.3 Å²	46.3	65%	0.652	28%	0.276	S	S	*	.			trans	-141.8	121.1	170.8	-179.6	-9.8	0	0	0	107.9	I460	N451-I460 WeakPolarHBondContact CA-O 3.2Å
452	F	91.9	Very high	90.8	Very high	13 Å²	13	45.9 Å²	45.9	6%	0.057	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	161.8	-178.9	66.7	-82.9	0	0	0	110.9	N408 F415 G459 I460	N408-F452 WeakPolarHBondContact O-CZ 3.48Å; F415-F452 HydrophobicContact CB-CD1 4.4Å; F415-F452 HydrophobicContact CD2-CB 3.57Å; F415-F452 AromaticContact CD2-CD1 3.73Å; F415-F452 HydrophobicContact CD2-CD1 3.73Å; F415-F452 AromaticContact CD2-CD2 3.69Å; F415-F452 HydrophobicContact CD2-CD2 3.69Å; F415-F452 HydrophobicContact CD2-CE1 4.35Å; F415-F452 HydrophobicContact CD2-CE2 4.31Å; F415-F452 AromaticContact CD2-CG 3.37Å; F415-F452 HydrophobicContact CD2-CG 3.37Å; F415-F452 HydrophobicContact CE1-CB 4.44Å; F415-F452 HydrophobicContact CE2-CB 3.5Å; F415-F452 HydrophobicContact CE2-CD1 4.39Å; F415-F452 AromaticContact CE2-CD2 3.59Å; F415-F452 HydrophobicContact CE2-CD2 3.59Å; F415-F452 HydrophobicContact CE2-CE2 4.43Å; F415-F452 AromaticContact CE2-CG 3.57Å; F415-F452 HydrophobicContact CE2-CG 3.57Å; F415-F452 HydrophobicContact CG-CB 4.11Å; F415-F452 HydrophobicContact CG-CD1 4.3Å; F415-F452 HydrophobicContact CG-CG 4.19Å; F415-F452 HydrophobicContact CZ-CB 3.96Å; F452-G459 WeakPolarHBondContact O-CA 3.35Å; F452-I460 HydrophobicContact CD1-CB 4.27Å; F452-I460 HydrophobicContact CE1-CB 3.81Å; F452-I460 HydrophobicContact CE1-CG2 3.75Å; F452-I460 HydrophobicContact CE2-CB 4.13Å; F452-I460 HydrophobicContact CE2-CG1 4Å; F452-I460 HydrophobicContact CZ-CB 3.73Å; F452-I460 HydrophobicContact CZ-CG1 3.95Å; F452-I460 HydrophobicContact CZ-CG2 3.76Å; F452-I460 PolarHBondContact N-O 2.82Å; F452-I460 PolarHBondContact O-N 3.42Å
453	T	91.5	Very high	90.7	Very high	114 Å²	114	46.5 Å²	46.5	70%	0.699	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	117	173.7	50.9	0	0	0	0	110.8	E458	T453-E458 CarbonylContact C-O 3.51Å; T453-E458 VanDerWaalsContact CA-O 3.31Å; T453-E458 WeakPolarHBondContact CA-O 3.46Å
454	G	86.7	Confident	90.5	Very high	8 Å²	8	55.2 Å²	55.2	8%	0.082	31%	0.311	C	S	.	.			trans	-72	174.4	173.8	0	0	0	0	0	113.2	N408 S456 G457 E458	N408-G454 VanDerWaalsContact OD1-CA 3.22Å; N408-G454 WeakPolarHBondContact OD1-CA 3.44Å; G454-S456 VanDerWaalsContact C-N 3.25Å; G454-S456 PolarHBondContact O-N 2.87Å; G454-G457 PolarHBondContact O-N 3.44Å; G454-E458 PolarHBondContact N-O 3.27Å
455	V	87.3	Confident	90.3	Very high	52 Å²	52	57.9 Å²	57.9	32%	0.315	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.6	-172.7	-65	0	0	0	0	114.8	V340 I407 N408 G457	V340-V455 HydrophobicContact CG2-CG2 4.35Å; I407-V455 HydrophobicContact CB-CG1 4.22Å; I407-V455 HydrophobicContact CG2-CG1 3.5Å; I407-V455 VanDerWaalsContact CG2-CG1 3.5Å; N408-V455 PolarHBondContact OD1-N 3.37Å; V455-G457 VanDerWaalsContact C-N 3.31Å
456	S	79.8	Confident	90.2	Very high	43 Å²	43	53.3 Å²	53.3	30%	0.301	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	1.9	177.2	-0.8	0	0	0	0	113	G454 E458	G454-S456 VanDerWaalsContact C-N 3.25Å; G454-S456 PolarHBondContact O-N 2.87Å; S456-E458 WeakPolarHBondContact CB-OE1 3.46Å; S456-E458 VanDerWaalsContact CB-OE2 3.24Å; S456-E458 WeakPolarHBondContact CB-OE2 3.21Å; S456-E458 PolarHBondContact N-OE1 3.21Å; S456-E458 VanDerWaalsContact OG-CD 3.29Å; S456-E458 PolarHBondContact OG-OE1 3.05Å; S456-E458 PolarHBondContact OG-OE2 3.43Å
457	G	81.3	Confident	90	Very high	59 Å²	59	51.7 Å²	51.7	61%	0.608	29%	0.294	S	S	*	.	S	Bend	trans	85.6	4.6	179.5	0	0	0	0	0	114.9	G454 V455	G454-G457 PolarHBondContact O-N 3.44Å; V455-G457 VanDerWaalsContact C-N 3.31Å
458	E	81.6	Confident	89.7	Confident	23 Å²	23	52.2 Å²	52.2	11%	0.107	30%	0.298	C	S	.	.			trans	-75.2	150.9	168.7	60.5	-83.7	130.9	0	0	112.7	T453 G454 S456 I460	T453-E458 CarbonylContact C-O 3.51Å; T453-E458 VanDerWaalsContact CA-O 3.31Å; T453-E458 WeakPolarHBondContact CA-O 3.46Å; G454-E458 PolarHBondContact N-O 3.27Å; S456-E458 WeakPolarHBondContact CB-OE1 3.46Å; S456-E458 VanDerWaalsContact CB-OE2 3.24Å; S456-E458 WeakPolarHBondContact CB-OE2 3.21Å; S456-E458 PolarHBondContact N-OE1 3.21Å; S456-E458 VanDerWaalsContact OG-CD 3.29Å; S456-E458 PolarHBondContact OG-OE1 3.05Å; S456-E458 PolarHBondContact OG-OE2 3.43Å; E458-I460 HydrophobicContact CG-CD1 3.74Å; E458-I460 PolarHBondContact O-N 3.36Å
459	G	86.2	Confident	89.3	Confident	36 Å²	36	52.1 Å²	52.1	37%	0.371	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	115.9	162.2	0	0	0	0	0	109.9	F452	F452-G459 WeakPolarHBondContact O-CA 3.35Å
460	I	90.4	Very high	88.7	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.3	170.4	-56.8	-61.1	0	0	0	108	V197 N451 F452 E458	V197-I460 HydrophobicContact CG1-CG2 4.34Å; N451-I460 WeakPolarHBondContact CA-O 3.2Å; F452-I460 HydrophobicContact CD1-CB 4.27Å; F452-I460 HydrophobicContact CE1-CB 3.81Å; F452-I460 HydrophobicContact CE1-CG2 3.75Å; F452-I460 HydrophobicContact CE2-CB 4.13Å; F452-I460 HydrophobicContact CE2-CG1 4Å; F452-I460 HydrophobicContact CZ-CB 3.73Å; F452-I460 HydrophobicContact CZ-CG1 3.95Å; F452-I460 HydrophobicContact CZ-CG2 3.76Å; F452-I460 PolarHBondContact N-O 2.82Å; F452-I460 PolarHBondContact O-N 3.42Å; E458-I460 HydrophobicContact CG-CD1 3.74Å; E458-I460 PolarHBondContact O-N 3.36Å
461	L	91.9	Very high	88.5	Confident	77 Å²	77	50.6 Å²	50.6	40%	0.403	29%	0.291	S	S	.	.			trans	-147.7	155.7	178.9	65.7	92.2	0	0	0	108.6	P469	L461-P469 HydrophobicContact CD1-CG 4.08Å; L461-P469 HydrophobicContact CG-CG 4.14Å; L461-P469 WeakPolarHBondContact O-CD 3.22Å
462	F	93.1	Very high	88.5	Confident	19 Å²	19	44.9 Å²	44.9	8%	0.083	26%	0.26	C	S	.	.			trans	-111.3	147.7	175	-57.1	-72.6	0	0	0	110.6	M195 R196 V197 S412 L447 T450 G466 D467	M195-F462 HydrophobicContact CE-CB 4.25Å; M195-F462 HydrophobicContact CE-CD1 3.89Å; M195-F462 HydrophobicContact CE-CD2 3.29Å; M195-F462 HydrophobicContact CE-CE1 4.02Å; M195-F462 HydrophobicContact CE-CE2 3.44Å; M195-F462 VanDerWaalsContact CE-CE2 3.44Å; M195-F462 HydrophobicContact CE-CG 3.53Å; M195-F462 HydrophobicContact CE-CZ 3.82Å; R196-F462 WeakPolarHBondContact O-CE1 3.39Å; V197-F462 HydrophobicContact CG1-CE1 4.03Å; V197-F462 HydrophobicContact CG1-CZ 3.88Å; S412-F462 VanDerWaalsContact OG-CE2 3.31Å; S412-F462 WeakPolarHBondContact OG-CE2 3.36Å; S412-F462 VanDerWaalsContact OG-CZ 3.31Å; S412-F462 WeakPolarHBondContact OG-CZ 3.31Å; L447-F462 WeakPolarHBondContact O-CD2 3.32Å; T450-F462 WeakPolarHBondContact OG1-CE2 3.24Å; F462-G466 WeakPolarHBondContact CD1-O 3.19Å; F462-D467 WeakPolarHBondContact CA-O 3.25Å
463	D	91.5	Very high	88.5	Confident	64 Å²	64	45.6 Å²	45.6	34%	0.342	26%	0.264	S	S	.	.			trans	-84.2	-175.8	167.4	80.4	-18.7	0	0	0	111.8	M448 N465 G466 D467	M448-D463 VanDerWaalsContact CE-O 3.24Å; M448-D463 WeakPolarHBondContact CE-O 3.44Å; D463-N465 PolarHBondContact O-N 3.41Å; D463-N465 VanDerWaalsContact O-N 3.14Å; D463-N465 VanDerWaalsContact OD1-CA 3.29Å; D463-N465 WeakPolarHBondContact OD1-CA 3.48Å; D463-N465 WeakPolarHBondContact OD1-CB 3.48Å; D463-N465 PolarHBondContact OD1-N 2.81Å; D463-N465 PolarHBondContact OD2-ND2 3.49Å; D463-G466 PolarHBondContact O-N 3.03Å; D463-G466 PolarHBondContact OD1-N 3.02Å; D463-D467 PolarHBondContact N-O 3.36Å; D463-D467 WeakPolarHBondContact OD1-CB 3.48Å; D463-D467 PolarHBondContact OD1-N 2.86Å
464	E	91.7	Very high	88.7	Confident	182 Å²	182	40.2 Å²	40.2	85%	0.85	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.6	176.6	-61.6	-178.8	171.8	0	0	113.1
465	N	92.5	Very high	89	Confident	69 Å²	69	40.7 Å²	40.7	37%	0.369	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-0.7	178.6	-51.2	-71.7	0	0	0	113	K188 D463 D467	K188-N465 WeakPolarHBondContact CE-O 3.44Å; K188-N465 PolarHBondContact NZ-O 3.31Å; D463-N465 PolarHBondContact O-N 3.41Å; D463-N465 VanDerWaalsContact O-N 3.14Å; D463-N465 VanDerWaalsContact OD1-CA 3.29Å; D463-N465 WeakPolarHBondContact OD1-CA 3.48Å; D463-N465 WeakPolarHBondContact OD1-CB 3.48Å; D463-N465 PolarHBondContact OD1-N 2.81Å; D463-N465 PolarHBondContact OD2-ND2 3.49Å; N465-D467 VanDerWaalsContact C-N 3.34Å
466	G	91.6	Very high	89.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	77.2	18.4	-176.9	0	0	0	0	0	114.1	R196 F462 D463	R196-G466 PolarHBondContact N-O 3.21Å; F462-G466 WeakPolarHBondContact CD1-O 3.19Å; D463-G466 PolarHBondContact O-N 3.03Å; D463-G466 PolarHBondContact OD1-N 3.02Å
467	D	92.7	Very high	90	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.043	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-101.6	141.5	-176.7	-73.1	-15.2	0	0	0	112.1	S186 R196 F462 D463 N465	S186-D467 PolarHBondContact OG-OD2 2.98Å; R196-D467 WeakPolarHBondContact CG-OD1 3.47Å; R196-D467 IonicContact CZ-OD1 3.03Å; R196-D467 IonicContact CZ-OD2 3.58Å; R196-D467 IonicContact NE-OD1 2.83Å; R196-D467 PolarHBondContact NE-OD1 2.84Å; R196-D467 IonicContact NE-OD2 3.62Å; R196-D467 VanDerWaalsContact NH2-CG 3.29Å; R196-D467 IonicContact NH2-OD1 2.65Å; R196-D467 PolarHBondContact NH2-OD1 3.5Å; R196-D467 IonicContact NH2-OD2 3.48Å; R196-D467 PolarHBondContact NH2-OD2 2.94Å; F462-D467 WeakPolarHBondContact CA-O 3.25Å; D463-D467 PolarHBondContact N-O 3.36Å; D463-D467 WeakPolarHBondContact OD1-CB 3.48Å; D463-D467 PolarHBondContact OD1-N 2.86Å; N465-D467 VanDerWaalsContact C-N 3.34Å
468	S	89.7	Confident	90.4	Very high	10 Å²	10	35.8 Å²	35.8	7%	0.07	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-84.5	140.5	174.6	-178.8	0	0	0	0	111.6	R196 V197 P199 G470	R196-S468 PolarHBondContact O-N 3.35Å; V197-S468 VanDerWaalsContact O-CB 3.28Å; V197-S468 WeakPolarHBondContact O-CB 3.22Å; V197-S468 PolarHBondContact O-OG 2.94Å; P199-S468 VanDerWaalsContact CA-O 3.3Å; P199-S468 WeakPolarHBondContact CA-O 3.31Å; P199-S468 WeakPolarHBondContact CB-O 3.34Å; S468-G470 PolarHBondContact O-N 2.99Å
469	P	85.8	Confident	90.7	Very high	46 Å²	46	39.3 Å²	39.3	30%	0.299	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-68.5	130.7	-178.3	27.4	-35	0	0	0	112.8	L461	L461-P469 HydrophobicContact CD1-CG 4.08Å; L461-P469 HydrophobicContact CG-CG 4.14Å; L461-P469 WeakPolarHBondContact O-CD 3.22Å
470	G	80.6	Confident	90.7	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.021	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-75.5	142.9	-169.4	0	0	0	0	0	116.1	P199 S468	P199-G470 VanDerWaalsContact CB-CA 3.47Å; S468-G470 PolarHBondContact O-N 2.99Å
471	R	88.6	Confident	90.4	Very high	110 Å²	110	43.6 Å²	43.6	42%	0.415	22%	0.219	S	C	.	.			trans	-140.3	127.6	168.5	-59.2	-178.6	-170.7	-175.1	3.2	108	Q336	Q336-R471 HydrophobicContact CB-CB 3.95Å; Q336-R471 PolarHBondContact N-O 2.99Å
472	Y	91.7	Very high	89.7	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.3	-179.7	-55.1	-83.4	0	0	0	110.9	P199 S200 Q203 Q204 A207 K334 L335 S492 W493	P199-Y472 HydrophobicContact CG-CE1 4.16Å; P199-Y472 WeakPolarHBondContact CG-OH 3.32Å; S200-Y472 PolarHBondContact O-OH 2.84Å; Q203-Y472 HydrophobicContact CB-CE2 4.19Å; Q204-Y472 HydrophobicContact CB-CE1 4.21Å; Q204-Y472 HydrophobicContact CG-CE1 4.36Å; Q204-Y472 PolarHBondContact N-OH 2.66Å; A207-Y472 HydrophobicContact CB-CD2 4.41Å; K334-Y472 CarbonylContact O-C 3.6Å; K334-Y472 WeakPolarHBondContact O-CA 3.38Å; K334-Y472 WeakPolarHBondContact O-CB 3.43Å; L335-Y472 HydrophobicContact CD2-CD1 3.93Å; L335-Y472 HydrophobicContact CD2-CE1 3.51Å; L335-Y472 HydrophobicContact CG-CD1 4.49Å; L335-Y472 HydrophobicContact CG-CE1 4.31Å; Y472-S492 CarbonylContact O-C 3.52Å; Y472-S492 VanDerWaalsContact O-CA 3.22Å; Y472-S492 WeakPolarHBondContact O-CA 3.42Å; Y472-S492 WeakPolarHBondContact O-CB 3.41Å; Y472-W493 HydrophobicContact CD2-CD2 4.39Å; Y472-W493 AromaticContact CD2-CE3 3.65Å; Y472-W493 HydrophobicContact CD2-CE3 3.65Å; Y472-W493 HydrophobicContact CD2-CZ3 4.14Å; Y472-W493 HydrophobicContact CE2-CE3 4.02Å; Y472-W493 HydrophobicContact CE2-CZ3 4.03Å; Y472-W493 PolarHBondContact N-O 3.5Å; Y472-W493 PolarHBondContact O-N 2.68Å
473	E	92.9	Very high	89.1	Confident	29 Å²	29	56.8 Å²	56.8	14%	0.136	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.5	166.5	-61.2	-179.3	150.5	0	0	107.9	I333 K334 Q336 M475	I333-E473 WeakPolarHBondContact CA-O 3.39Å; K334-E473 HydrophobicContact CB-CB 4.38Å; K334-E473 PolarHBondContact N-O 3.27Å; K334-E473 IonicContact NZ-OE2 3.32Å; K334-E473 PolarHBondContact NZ-OE2 3Å; K334-E473 PolarHBondContact O-N 2.88Å; Q336-E473 HydrophobicContact CB-CG 3.97Å; Q336-E473 HydrophobicContact CG-CG 4.18Å; Q336-E473 PolarHBondContact NE2-OE1 3.02Å; E473-M475 HydrophobicContact CB-SD 4.35Å
474	I	95.1	Very high	88.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.7	179.1	-43.1	-56.5	0	0	0	107.2	I211 I331 I333 V490 G491 W493 L498 I500	I211-I474 HydrophobicContact CD1-CD1 4.2Å; I211-I474 HydrophobicContact CD1-CG2 4.32Å; I331-I474 HydrophobicContact CG2-CG2 3.81Å; I333-I474 HydrophobicContact CB-CD1 4.49Å; I333-I474 HydrophobicContact CG2-CD1 3.68Å; I474-V490 HydrophobicContact CB-CG2 4.19Å; I474-V490 HydrophobicContact CG2-CG2 4Å; I474-V490 WeakPolarHBondContact O-CG2 3.48Å; I474-V490 PolarHBondContact O-N 2.97Å; I474-G491 PolarHBondContact N-O 2.8Å; I474-G491 PolarHBondContact O-N 3.48Å; I474-W493 HydrophobicContact CD1-CB 4.22Å; I474-L498 HydrophobicContact CD1-CD1 4.17Å; I474-L498 HydrophobicContact CG1-CD1 3.98Å; I474-I500 HydrophobicContact CB-CD1 4.38Å; I474-I500 HydrophobicContact CG2-CD1 3.78Å
475	M	93.9	Very high	88.8	Confident	18 Å²	18	52.9 Å²	52.9	9%	0.089	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.2	-176.3	-54.1	-58.9	-68.3	0	0	110.2	I331 T332 K334 E473 Y487 I488 N489	I331-M475 WeakPolarHBondContact CA-O 3.09Å; T332-M475 HydrophobicContact CG2-CB 3.9Å; T332-M475 PolarHBondContact N-O 3.27Å; T332-M475 PolarHBondContact O-N 3.06Å; K334-M475 HydrophobicContact CB-CG 3.98Å; K334-M475 HydrophobicContact CD-CG 4.48Å; E473-M475 HydrophobicContact CB-SD 4.35Å; M475-Y487 WeakPolarHBondContact CE-O 3.28Å; M475-I488 CarbonylContact C-O 3.55Å; M475-I488 VanDerWaalsContact CA-O 3.27Å; M475-I488 WeakPolarHBondContact CA-O 3.32Å; M475-N489 HydrophobicContact CE-CB 4.23Å; M475-N489 HydrophobicContact SD-CB 3.82Å
476	N	94.9	Very high	88.7	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.8	168.6	-166.2	-78.7	0	0	0	110.2	G329 G330 I331 K478 I488 V490	G329-N476 PolarHBondContact O-ND2 2.91Å; G330-N476 WeakPolarHBondContact O-CA 3.04Å; I331-N476 WeakPolarHBondContact CG1-ND2 3.3Å; N476-K478 PolarHBondContact O-N 3.37Å; N476-K478 WeakPolarHBondContact OD1-CB 3.48Å; N476-I488 HydrophobicContact CB-CG1 4.29Å; N476-I488 PolarHBondContact N-O 3.06Å; N476-I488 WeakPolarHBondContact O-CG1 3.39Å; N476-I488 PolarHBondContact O-N 3.18Å; N476-V490 HydrophobicContact CB-CG1 3.83Å; N476-V490 HydrophobicContact CB-CG2 4.18Å
477	F	93.2	Very high	88.7	Confident	3 Å²	3	51.8 Å²	51.8	1%	0.013	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	90.5	175.7	-172.7	-100.6	0	0	0	110.1	W313 T320 A327 G329 G330 Y485 D486 Y487	W313-F477 HydrophobicContact CZ3-CB 4.4Å; T320-F477 HydrophobicContact CG2-CD1 4.49Å; T320-F477 HydrophobicContact CG2-CD2 4.48Å; T320-F477 HydrophobicContact CG2-CE1 4.33Å; T320-F477 HydrophobicContact CG2-CE2 4.31Å; T320-F477 HydrophobicContact CG2-CZ 4.22Å; A327-F477 HydrophobicContact CB-CD1 3.68Å; A327-F477 HydrophobicContact CB-CE1 3.86Å; G329-F477 PolarHBondContact N-O 2.04Å; G330-F477 PolarHBondContact O-N 3.4Å; F477-Y485 HydrophobicContact CE1-CD1 4.11Å; F477-Y485 HydrophobicContact CE1-CG 4.22Å; F477-Y485 HydrophobicContact CZ-CG 4.42Å; F477-D486 CarbonylContact C-O 3.49Å; F477-D486 WeakPolarHBondContact CA-O 3.33Å; F477-Y487 HydrophobicContact CB-CD1 3.87Å; F477-Y487 HydrophobicContact CB-CE1 3.84Å; F477-Y487 AromaticContact CD2-CD1 3.7Å; F477-Y487 HydrophobicContact CD2-CD1 3.7Å; F477-Y487 AromaticContact CD2-CD2 3.97Å; F477-Y487 HydrophobicContact CD2-CD2 3.97Å; F477-Y487 AromaticContact CD2-CE1 3.62Å; F477-Y487 HydrophobicContact CD2-CE1 3.62Å; F477-Y487 AromaticContact CD2-CE2 3.9Å; F477-Y487 HydrophobicContact CD2-CE2 3.9Å; F477-Y487 AromaticContact CD2-CG 3.88Å; F477-Y487 HydrophobicContact CD2-CG 3.88Å; F477-Y487 AromaticContact CD2-CZ 3.72Å; F477-Y487 HydrophobicContact CE2-CD2 4.37Å; F477-Y487 HydrophobicContact CE2-CE2 4.17Å; F477-Y487 HydrophobicContact CG-CD1 4.26Å; F477-Y487 HydrophobicContact CG-CE1 4.07Å
478	K	89.2	Confident	88.7	Confident	46 Å²	46	52.5 Å²	52.5	20%	0.2	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	160.6	-171	93.2	175.3	178.3	-174.4	0	114.3	N476 M480 Y485 D486 I488 E504	N476-K478 PolarHBondContact O-N 3.37Å; N476-K478 WeakPolarHBondContact OD1-CB 3.48Å; K478-M480 HydrophobicContact CD-SD 4.32Å; K478-M480 HydrophobicContact CG-CG 4.5Å; K478-M480 HydrophobicContact CG-SD 3.79Å; K478-M480 PolarHBondContact O-N 3.21Å; K478-Y485 VanDerWaalsContact O-CA 3.28Å; K478-Y485 WeakPolarHBondContact O-CA 3.31Å; K478-D486 PolarHBondContact N-O 2.9Å; K478-D486 PolarHBondContact O-N 3.34Å; K478-I488 HydrophobicContact CD-CD1 3.69Å; K478-I488 HydrophobicContact CD-CG1 4.07Å; K478-I488 VanDerWaalsContact CE-CD1 3.42Å; K478-I488 HydrophobicContact CG-CD1 4.28Å; K478-I488 HydrophobicContact CG-CG1 4.11Å; K478-E504 PolarHBondContact NZ-O 2.89Å; K478-E504 IonicContact NZ-OE1 2.77Å; K478-E504 PolarHBondContact NZ-OE1 3.36Å
479	K	88.4	Confident	88.8	Confident	96 Å²	96	56 Å²	56	42%	0.417	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	114	177	-167.9	164.9	-165.4	145.7	0	110.2	G481 R482 Y485	K479-G481 WeakPolarHBondContact CE-O 3.44Å; K479-G481 WeakPolarHBondContact CG-O 3.2Å; K479-R482 WeakPolarHBondContact CE-O 3.44Å; K479-R482 PolarHBondContact NZ-O 3.48Å; K479-Y485 HydrophobicContact CB-CD1 3.86Å; K479-Y485 HydrophobicContact CB-CE1 3.64Å; K479-Y485 HydrophobicContact CD-CE1 3.95Å; K479-Y485 HydrophobicContact CD-CE2 4.17Å; K479-Y485 WeakPolarHBondContact CD-OH 3.39Å; K479-Y485 HydrophobicContact CG-CD1 4.25Å; K479-Y485 HydrophobicContact CG-CE1 3.88Å; K479-Y485 HydrophobicContact CG-CE2 4.24Å; K479-Y485 PolarHBondContact NZ-OH 2.74Å
480	M	86.4	Confident	89.2	Confident	99 Å²	99	54 Å²	54	49%	0.488	25%	0.25	S	C	.	.			trans	-98.8	-23.5	-176.7	-63.7	-63.4	-82.2	0	0	112.8	K478 Y484 D486 I488	K478-M480 HydrophobicContact CD-SD 4.32Å; K478-M480 HydrophobicContact CG-CG 4.5Å; K478-M480 HydrophobicContact CG-SD 3.79Å; K478-M480 PolarHBondContact O-N 3.21Å; M480-Y484 HydrophobicContact CB-CD1 3.89Å; M480-Y484 HydrophobicContact CB-CE1 4.25Å; M480-Y484 PolarHBondContact N-O 2.71Å; M480-D486 HydrophobicContact CG-CB 3.88Å; M480-I488 HydrophobicContact CE-CG2 3.87Å; M480-I488 HydrophobicContact SD-CG2 3.82Å
481	G	82.9	Confident	89.8	Confident	33 Å²	33	54.6 Å²	54.6	34%	0.34	26%	0.256	S	S	.	.	S	Bend	trans	-143.6	-170.6	177	0	0	0	0	0	112.3	K479 D483 Y484	K479-G481 WeakPolarHBondContact CE-O 3.44Å; K479-G481 WeakPolarHBondContact CG-O 3.2Å; G481-D483 VanDerWaalsContact C-N 3.27Å; G481-D483 PolarHBondContact O-N 2.99Å; G481-Y484 PolarHBondContact N-O 3.39Å; G481-Y484 VanDerWaalsContact N-O 3.14Å
482	R	77.7	Confident	90.1	Very high	224 Å²	224	51 Å²	51	85%	0.845	25%	0.248	S	C	*	.	S	Bend	trans	-58.1	-39.6	178.3	-91.2	-172	173	169.3	-0.9	113.1	K479	K479-R482 WeakPolarHBondContact CE-O 3.44Å; K479-R482 PolarHBondContact NZ-O 3.48Å
483	D	79.4	Confident	90.2	Very high	148 Å²	148	51.8 Å²	51.8	79%	0.791	25%	0.251	S	S	*	.	S	Bend	trans	-134.3	15	-174.8	-51.1	-69.4	0	0	0	112.3	G481	G481-D483 VanDerWaalsContact C-N 3.27Å; G481-D483 PolarHBondContact O-N 2.99Å
484	Y	87.3	Confident	90	Very high	134 Å²	134	52.3 Å²	52.3	53%	0.525	25%	0.254	S	S	.	.			trans	-118.9	134.1	-178	-179.7	-126.1	0	0	0	111.5	M480 G481 D486	M480-Y484 HydrophobicContact CB-CD1 3.89Å; M480-Y484 HydrophobicContact CB-CE1 4.25Å; M480-Y484 PolarHBondContact N-O 2.71Å; G481-Y484 PolarHBondContact N-O 3.39Å; G481-Y484 VanDerWaalsContact N-O 3.14Å; Y484-D486 HydrophobicContact CE1-CB 4.26Å; Y484-D486 PolarHBondContact OH-OD2 2.97Å
485	Y	90.6	Very high	89.3	Confident	30 Å²	30	58.6 Å²	58.6	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.3	-179	-66.1	-105.5	0	0	0	108.7	S324 A328 F477 K478 K479	S324-Y485 WeakPolarHBondContact O-CE1 3.31Å; A328-Y485 HydrophobicContact CB-CD1 4.34Å; A328-Y485 HydrophobicContact CB-CE1 3.76Å; F477-Y485 HydrophobicContact CE1-CD1 4.11Å; F477-Y485 HydrophobicContact CE1-CG 4.22Å; F477-Y485 HydrophobicContact CZ-CG 4.42Å; K478-Y485 VanDerWaalsContact O-CA 3.28Å; K478-Y485 WeakPolarHBondContact O-CA 3.31Å; K479-Y485 HydrophobicContact CB-CD1 3.86Å; K479-Y485 HydrophobicContact CB-CE1 3.64Å; K479-Y485 HydrophobicContact CD-CE1 3.95Å; K479-Y485 HydrophobicContact CD-CE2 4.17Å; K479-Y485 WeakPolarHBondContact CD-OH 3.39Å; K479-Y485 HydrophobicContact CG-CD1 4.25Å; K479-Y485 HydrophobicContact CG-CE1 3.88Å; K479-Y485 HydrophobicContact CG-CE2 4.24Å; K479-Y485 PolarHBondContact NZ-OH 2.74Å
486	D	90.6	Very high	88.8	Confident	35 Å²	35	62.1 Å²	62.1	19%	0.187	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	158.9	-174.3	-158.8	13.9	0	0	0	112.2	Y317 F477 K478 M480 Y484	Y317-D486 WeakPolarHBondContact CE1-OD1 3.47Å; Y317-D486 PolarHBondContact OH-OD1 3.25Å; Y317-D486 VanDerWaalsContact OH-OD1 3.13Å; F477-D486 CarbonylContact C-O 3.49Å; F477-D486 WeakPolarHBondContact CA-O 3.33Å; K478-D486 PolarHBondContact N-O 2.9Å; K478-D486 PolarHBondContact O-N 3.34Å; M480-D486 HydrophobicContact CG-CB 3.88Å; Y484-D486 HydrophobicContact CE1-CB 4.26Å; Y484-D486 PolarHBondContact OH-OD2 2.97Å
487	Y	91.1	Very high	88.5	Confident	12 Å²	12	63.2 Å²	63.2	5%	0.047	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	104.6	171.5	-68.3	-78.3	0	0	0	109.9	W313 R316 Y317 T320 T332 M475 F477	W313-Y487 AromaticContact CE3-CE1 3.97Å; W313-Y487 HydrophobicContact CE3-CE1 3.97Å; W313-Y487 AromaticContact CZ3-CE1 3.96Å; W313-Y487 HydrophobicContact CZ3-CE1 3.96Å; W313-Y487 PolarHBondContact O-OH 3.01Å; R316-Y487 PolarHBondContact O-OH 3.36Å; Y317-Y487 HydrophobicContact CD1-CD2 4.08Å; Y317-Y487 HydrophobicContact CD1-CE2 4.08Å; Y317-Y487 AromaticContact CE1-CD2 3.55Å; Y317-Y487 HydrophobicContact CE1-CD2 3.55Å; Y317-Y487 HydrophobicContact CE1-CE2 4.04Å; Y317-Y487 HydrophobicContact CE2-CD2 4.43Å; Y317-Y487 HydrophobicContact CG-CE2 4.49Å; Y317-Y487 AromaticContact CZ-CD2 3.73Å; T320-Y487 WeakPolarHBondContact CG2-OH 3.33Å; T332-Y487 HydrophobicContact CG2-CD1 4.26Å; T332-Y487 HydrophobicContact CG2-CE1 4.09Å; M475-Y487 WeakPolarHBondContact CE-O 3.28Å; F477-Y487 HydrophobicContact CB-CD1 3.87Å; F477-Y487 HydrophobicContact CB-CE1 3.84Å; F477-Y487 AromaticContact CD2-CD1 3.7Å; F477-Y487 HydrophobicContact CD2-CD1 3.7Å; F477-Y487 AromaticContact CD2-CD2 3.97Å; F477-Y487 HydrophobicContact CD2-CD2 3.97Å; F477-Y487 AromaticContact CD2-CE1 3.62Å; F477-Y487 HydrophobicContact CD2-CE1 3.62Å; F477-Y487 AromaticContact CD2-CE2 3.9Å; F477-Y487 HydrophobicContact CD2-CE2 3.9Å; F477-Y487 AromaticContact CD2-CG 3.88Å; F477-Y487 HydrophobicContact CD2-CG 3.88Å; F477-Y487 AromaticContact CD2-CZ 3.72Å; F477-Y487 HydrophobicContact CE2-CD2 4.37Å; F477-Y487 HydrophobicContact CE2-CE2 4.17Å; F477-Y487 HydrophobicContact CG-CD1 4.26Å; F477-Y487 HydrophobicContact CG-CE1 4.07Å
488	I	92	Very high	88.5	Confident	22 Å²	22	64.3 Å²	64.3	11%	0.113	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	143.1	173.8	61.8	144	0	0	0	111.5	M475 N476 K478 M480 V490 E504	M475-I488 CarbonylContact C-O 3.55Å; M475-I488 VanDerWaalsContact CA-O 3.27Å; M475-I488 WeakPolarHBondContact CA-O 3.32Å; N476-I488 HydrophobicContact CB-CG1 4.29Å; N476-I488 PolarHBondContact N-O 3.06Å; N476-I488 WeakPolarHBondContact O-CG1 3.39Å; N476-I488 PolarHBondContact O-N 3.18Å; K478-I488 HydrophobicContact CD-CD1 3.69Å; K478-I488 HydrophobicContact CD-CG1 4.07Å; K478-I488 VanDerWaalsContact CE-CD1 3.42Å; K478-I488 HydrophobicContact CG-CD1 4.28Å; K478-I488 HydrophobicContact CG-CG1 4.11Å; M480-I488 HydrophobicContact CE-CG2 3.87Å; M480-I488 HydrophobicContact SD-CG2 3.82Å; I488-V490 HydrophobicContact CD1-CG1 3.43Å; I488-V490 VanDerWaalsContact CD1-CG1 3.43Å; I488-V490 HydrophobicContact CG1-CG1 3.92Å; I488-E504 HydrophobicContact CD1-CG 3.63Å; I488-E504 WeakPolarHBondContact CD1-OE1 3.45Å
489	N	92.9	Very high	88.7	Confident	83 Å²	83	66.7 Å²	66.7	44%	0.444	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.9	169.3	-175.3	-23.6	0	0	0	109.1	M475 G491	M475-N489 HydrophobicContact CE-CB 4.23Å; M475-N489 HydrophobicContact SD-CB 3.82Å; N489-G491 PolarHBondContact OD1-N 2.96Å; N489-G491 PolarHBondContact OD1-O 3.23Å
490	V	93.8	Very high	88.9	Confident	6 Å²	6	62.8 Å²	62.8	4%	0.036	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-2.9	-179.7	-65.2	0	0	0	0	112.9	I474 N476 I488 I500 A501 E504 I505	I474-V490 HydrophobicContact CB-CG2 4.19Å; I474-V490 HydrophobicContact CG2-CG2 4Å; I474-V490 WeakPolarHBondContact O-CG2 3.48Å; I474-V490 PolarHBondContact O-N 2.97Å; N476-V490 HydrophobicContact CB-CG1 3.83Å; N476-V490 HydrophobicContact CB-CG2 4.18Å; I488-V490 HydrophobicContact CD1-CG1 3.43Å; I488-V490 VanDerWaalsContact CD1-CG1 3.43Å; I488-V490 HydrophobicContact CG1-CG1 3.92Å; V490-I500 HydrophobicContact CB-CG1 4.44Å; V490-I500 HydrophobicContact CG2-CD1 4.22Å; V490-I500 HydrophobicContact CG2-CG1 4.18Å; V490-I500 WeakPolarHBondContact O-CA 3.38Å; V490-I500 VanDerWaalsContact O-CG1 3.32Å; V490-I500 WeakPolarHBondContact O-CG1 3.45Å; V490-A501 PolarHBondContact O-N 2.62Å; V490-E504 HydrophobicContact CG1-CB 4.44Å; V490-E504 HydrophobicContact CG1-CG 4.05Å; V490-I505 HydrophobicContact CB-CD1 4.02Å; V490-I505 HydrophobicContact CB-CG1 3.82Å; V490-I505 HydrophobicContact CG1-CD1 4.47Å; V490-I505 HydrophobicContact CG1-CG1 3.74Å; V490-I505 HydrophobicContact CG2-CD1 3.85Å; V490-I505 HydrophobicContact CG2-CG1 3.98Å
491	G	93.8	Very high	89.1	Confident	14 Å²	14	60.4 Å²	60.4	14%	0.144	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.4	-176.2	-177.5	0	0	0	0	0	115.7	I474 N489 K499	I474-G491 PolarHBondContact N-O 2.8Å; I474-G491 PolarHBondContact O-N 3.48Å; N489-G491 PolarHBondContact OD1-N 2.96Å; N489-G491 PolarHBondContact OD1-O 3.23Å; G491-K499 CarbonylContact C-O 3.52Å; G491-K499 WeakPolarHBondContact CA-O 3.23Å
492	S	94.1	Very high	89.4	Confident	35 Å²	35	61.1 Å²	61.1	25%	0.245	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.3	171.9	63.4	0	0	0	0	112.4	Y472 K499	Y472-S492 CarbonylContact O-C 3.52Å; Y472-S492 VanDerWaalsContact O-CA 3.22Å; Y472-S492 WeakPolarHBondContact O-CA 3.42Å; Y472-S492 WeakPolarHBondContact O-CB 3.41Å; S492-K499 PolarHBondContact N-O 2.88Å; S492-K499 PolarHBondContact O-N 3.24Å; S492-K499 VanDerWaalsContact O-O 3.1Å
493	W	94.3	Very high	89.8	Confident	18 Å²	18	57.4 Å²	57.4	7%	0.068	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.3	169.8	-174.7	105.1	0	0	0	108.8	Q203 R206 A207 D210 Y472 I474 L498	Q203-W493 HydrophobicContact CB-CH2 4.26Å; Q203-W493 HydrophobicContact CB-CZ3 4.38Å; R206-W493 HydrophobicContact CB-CZ2 4.13Å; R206-W493 HydrophobicContact CG-CZ2 3.76Å; A207-W493 HydrophobicContact CB-CB 4.3Å; A207-W493 HydrophobicContact CB-CD2 3.8Å; A207-W493 HydrophobicContact CB-CE3 4.45Å; A207-W493 HydrophobicContact CB-CG 3.73Å; D210-W493 PolarHBondContact OD2-NE1 2.85Å; Y472-W493 HydrophobicContact CD2-CD2 4.39Å; Y472-W493 AromaticContact CD2-CE3 3.65Å; Y472-W493 HydrophobicContact CD2-CE3 3.65Å; Y472-W493 HydrophobicContact CD2-CZ3 4.14Å; Y472-W493 HydrophobicContact CE2-CE3 4.02Å; Y472-W493 HydrophobicContact CE2-CZ3 4.03Å; Y472-W493 PolarHBondContact N-O 3.5Å; Y472-W493 PolarHBondContact O-N 2.68Å; I474-W493 HydrophobicContact CD1-CB 4.22Å; W493-L498 HydrophobicContact CB-CD1 4.34Å
494	D	89.5	Confident	90.1	Very high	40 Å²	40	54.6 Å²	54.6	21%	0.214	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	-177.9	176	61.7	48.5	0	0	0	109.4	S496 G497 K499	D494-S496 PolarHBondContact O-N 2.84Å; D494-S496 WeakPolarHBondContact OD1-CA 3.09Å; D494-S496 WeakPolarHBondContact OD1-CB 3.23Å; D494-S496 PolarHBondContact OD1-N 2.94Å; D494-S496 PolarHBondContact OD1-OG 3.32Å; D494-G497 PolarHBondContact O-N 3.34Å; D494-K499 VanDerWaalsContact CG-NZ 3.35Å; D494-K499 IonicContact OD1-NZ 2.64Å; D494-K499 PolarHBondContact OD1-NZ 2.95Å; D494-K499 IonicContact OD2-NZ 2.74Å; D494-K499 PolarHBondContact OD2-NZ 3.28Å
495	N	80.1	Confident	90.1	Very high	132 Å²	132	49.5 Å²	49.5	71%	0.706	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-6.4	-179.4	-69	-11.6	0	0	0	115.5
496	S	82.9	Confident	89.9	Confident	91 Å²	91	49.4 Å²	49.4	64%	0.636	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-0	170.3	69	0	0	0	0	114.2	D494 K499	D494-S496 PolarHBondContact O-N 2.84Å; D494-S496 WeakPolarHBondContact OD1-CA 3.09Å; D494-S496 WeakPolarHBondContact OD1-CB 3.23Å; D494-S496 PolarHBondContact OD1-N 2.94Å; D494-S496 PolarHBondContact OD1-OG 3.32Å; S496-K499 VanDerWaalsContact OG-CE 3.28Å; S496-K499 WeakPolarHBondContact OG-CE 3.44Å; S496-K499 PolarHBondContact OG-NZ 2.98Å
497	G	87.8	Confident	89.4	Confident	27 Å²	27	53.5 Å²	53.5	28%	0.278	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	106.8	-179.7	171.9	0	0	0	0	0	115.3	D494 K499	D494-G497 PolarHBondContact O-N 3.34Å; G497-K499 PolarHBondContact O-N 2.86Å
498	L	93.3	Very high	88.8	Confident	26 Å²	26	55.5 Å²	55.5	14%	0.136	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	116.2	-175.7	-178.5	64.2	0	0	0	113	D210 I211 R214 I474 W493 I500	D210-L498 HydrophobicContact CB-CB 4.42Å; D210-L498 HydrophobicContact CB-CD2 4.48Å; I211-L498 HydrophobicContact CB-CD2 4.27Å; I211-L498 HydrophobicContact CG1-CD1 4.03Å; I211-L498 HydrophobicContact CG1-CD2 3.68Å; R214-L498 HydrophobicContact CB-CD2 4.23Å; R214-L498 PolarHBondContact NH1-O 2.61Å; I474-L498 HydrophobicContact CD1-CD1 4.17Å; I474-L498 HydrophobicContact CG1-CD1 3.98Å; W493-L498 HydrophobicContact CB-CD1 4.34Å; L498-I500 HydrophobicContact CD1-CB 4.44Å; L498-I500 HydrophobicContact CD2-CG2 4.33Å; L498-I500 HydrophobicContact CG-CB 4.46Å; L498-I500 HydrophobicContact CG-CG2 4.22Å
499	K	94.1	Very high	87.9	Confident	95 Å²	95	63.3 Å²	63.3	41%	0.413	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112	173.2	-62.1	153.8	-167.6	168.1	0	107.8	G491 S492 D494 S496 G497	G491-K499 CarbonylContact C-O 3.52Å; G491-K499 WeakPolarHBondContact CA-O 3.23Å; S492-K499 PolarHBondContact N-O 2.88Å; S492-K499 PolarHBondContact O-N 3.24Å; S492-K499 VanDerWaalsContact O-O 3.1Å; D494-K499 VanDerWaalsContact CG-NZ 3.35Å; D494-K499 IonicContact OD1-NZ 2.64Å; D494-K499 PolarHBondContact OD1-NZ 2.95Å; D494-K499 IonicContact OD2-NZ 2.74Å; D494-K499 PolarHBondContact OD2-NZ 3.28Å; S496-K499 VanDerWaalsContact OG-CE 3.28Å; S496-K499 WeakPolarHBondContact OG-CE 3.44Å; S496-K499 PolarHBondContact OG-NZ 2.98Å; G497-K499 PolarHBondContact O-N 2.86Å
500	I	92.1	Very high	86.9	Confident	15 Å²	15	68.3 Å²	68.3	8%	0.077	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	142.5	-177.3	-164	172	0	0	0	110.3	R214 I474 V490 L498 D502 I505	R214-I500 PolarHBondContact NH2-O 2.95Å; R214-I500 VanDerWaalsContact NH2-O 3.1Å; I474-I500 HydrophobicContact CB-CD1 4.38Å; I474-I500 HydrophobicContact CG2-CD1 3.78Å; V490-I500 HydrophobicContact CB-CG1 4.44Å; V490-I500 HydrophobicContact CG2-CD1 4.22Å; V490-I500 HydrophobicContact CG2-CG1 4.18Å; V490-I500 WeakPolarHBondContact O-CA 3.38Å; V490-I500 VanDerWaalsContact O-CG1 3.32Å; V490-I500 WeakPolarHBondContact O-CG1 3.45Å; L498-I500 HydrophobicContact CD1-CB 4.44Å; L498-I500 HydrophobicContact CD2-CG2 4.33Å; L498-I500 HydrophobicContact CG-CB 4.46Å; L498-I500 HydrophobicContact CG-CG2 4.22Å; I500-D502 PolarHBondContact O-N 2.88Å; I500-I505 HydrophobicContact CD1-CD1 3.55Å; I500-I505 HydrophobicContact CG1-CD1 3.75Å
501	A	90.9	Very high	86	Confident	48 Å²	48	70 Å²	70	40%	0.397	39%	0.391	S	S	.	.			trans	-92.3	91	-178.8	0	0	0	0	0	109.7	V490 D503 E504	V490-A501 PolarHBondContact O-N 2.62Å; A501-D503 VanDerWaalsContact C-N 3.27Å; A501-D503 PolarHBondContact O-N 3.1Å; A501-E504 HydrophobicContact CB-CB 3.99Å; A501-E504 WeakPolarHBondContact O-CB 3.36Å; A501-E504 PolarHBondContact O-N 2.86Å; A501-E504 VanDerWaalsContact O-N 3.09Å
502	D	88.4	Confident	85.4	Confident	49 Å²	49	71.9 Å²	71.9	26%	0.262	40%	0.398	S	S	.	.	H	α-helix	trans	-60.9	-34.8	-173.2	-61.1	-54.5	0	0	0	112.8	R214 Y215 I500 E504 I505 W506	R214-D502 IonicContact CZ-OD1 2.88Å; R214-D502 IonicContact CZ-OD2 3.43Å; R214-D502 IonicContact NE-OD1 3.82Å; R214-D502 PolarHBondContact NE-OD1 3.2Å; R214-D502 IonicContact NE-OD2 3.82Å; R214-D502 PolarHBondContact NE-OD2 2.92Å; R214-D502 IonicContact NH2-OD1 2.73Å; R214-D502 IonicContact NH2-OD2 2.72Å; R214-D502 PolarHBondContact NH2-OD2 2.88Å; Y215-D502 WeakPolarHBondContact CE1-OD1 3.36Å; Y215-D502 VanDerWaalsContact CZ-OD1 3.25Å; Y215-D502 PolarHBondContact OH-OD1 3.44Å; I500-D502 PolarHBondContact O-N 2.88Å; D502-E504 VanDerWaalsContact C-N 3.27Å; D502-E504 PolarHBondContact O-N 2.9Å; D502-I505 PolarHBondContact O-N 3.08Å; D502-W506 PolarHBondContact O-N 3.05Å
503	D	86.6	Confident	85	Confident	145 Å²	145	71.4 Å²	71.4	78%	0.775	39%	0.392	S	S	*	.	H	α-helix	trans	-69.8	-20	178.7	-52.9	-61	0	0	0	113.5	A501	A501-D503 VanDerWaalsContact C-N 3.27Å; A501-D503 PolarHBondContact O-N 3.1Å
504	E	86.7	Confident	84.7	Confident	90 Å²	90	77.4 Å²	77.4	42%	0.421	42%	0.418	S	S	.	.	H	α-helix	trans	-83.1	-22.1	178.5	-171.7	58.7	-146	0	0	111.9	K478 I488 V490 A501 D502	K478-E504 PolarHBondContact NZ-O 2.89Å; K478-E504 IonicContact NZ-OE1 2.77Å; K478-E504 PolarHBondContact NZ-OE1 3.36Å; I488-E504 HydrophobicContact CD1-CG 3.63Å; I488-E504 WeakPolarHBondContact CD1-OE1 3.45Å; V490-E504 HydrophobicContact CG1-CB 4.44Å; V490-E504 HydrophobicContact CG1-CG 4.05Å; A501-E504 HydrophobicContact CB-CB 3.99Å; A501-E504 WeakPolarHBondContact O-CB 3.36Å; A501-E504 PolarHBondContact O-N 2.86Å; A501-E504 VanDerWaalsContact O-N 3.09Å; D502-E504 VanDerWaalsContact C-N 3.27Å; D502-E504 PolarHBondContact O-N 2.9Å
505	I	86.9	Confident	84.9	Confident	26 Å²	26	75.5 Å²	75.5	13%	0.133	41%	0.408	C	S	.	.	H	α-helix	trans	-92.3	-47.6	176	-59	163.6	0	0	0	110.4	Y215 V490 I500 D502	Y215-I505 WeakPolarHBondContact OH-CD1 3.4Å; V490-I505 HydrophobicContact CB-CD1 4.02Å; V490-I505 HydrophobicContact CB-CG1 3.82Å; V490-I505 HydrophobicContact CG1-CD1 4.47Å; V490-I505 HydrophobicContact CG1-CG1 3.74Å; V490-I505 HydrophobicContact CG2-CD1 3.85Å; V490-I505 HydrophobicContact CG2-CG1 3.98Å; I500-I505 HydrophobicContact CD1-CD1 3.55Å; I500-I505 HydrophobicContact CG1-CD1 3.75Å; D502-I505 PolarHBondContact O-N 3.08Å
506	W	86.3	Confident	85.4	Confident	29 Å²	29	71.4 Å²	71.4	11%	0.11	39%	0.388	C	S	.	.			trans	-116.9	113.8	-170.2	-57.3	110.5	0	0	0	110.7	Y215 W217 L306 D502 S508 S511 I512 I513	Y215-W506 AromaticContact CE1-NE1 3.59Å; Y215-W506 AromaticContact CZ-NE1 3.83Å; W217-W506 HydrophobicContact CZ2-CZ2 4.27Å; L306-W506 HydrophobicContact CD2-CH2 4.06Å; L306-W506 HydrophobicContact CD2-CZ2 4.14Å; D502-W506 PolarHBondContact O-N 3.05Å; W506-S508 PolarHBondContact O-N 3.22Å; W506-S508 VanDerWaalsContact O-N 3.16Å; W506-S511 VanDerWaalsContact CE3-O 3.27Å; W506-S511 WeakPolarHBondContact CZ3-O 3.42Å; W506-I512 HydrophobicContact CB-CG1 4.07Å; W506-I512 HydrophobicContact CD2-CB 4.45Å; W506-I512 HydrophobicContact CD2-CG1 4Å; W506-I512 HydrophobicContact CG-CG1 3.71Å; W506-I513 HydrophobicContact CH2-CB 4.24Å; W506-I513 HydrophobicContact CH2-CD1 4.04Å; W506-I513 HydrophobicContact CH2-CG1 3.94Å; W506-I513 HydrophobicContact CZ3-CD1 4.37Å; W506-I513 HydrophobicContact CZ3-CG1 4.11Å
507	S	80.6	Confident	85.8	Confident	121 Å²	121	67.4 Å²	67.4	85%	0.846	36%	0.36	S	S	*	.	S	Bend	trans	-67.1	-15	180	58.9	0	0	0	0	114.1
508	S	77.2	Confident	85.9	Confident	54 Å²	54	67.2 Å²	67.2	38%	0.378	35%	0.354	S	S	.	.	S	Bend	trans	-155.3	160	169.1	81.1	0	0	0	0	111.4	W506 E510 S511	W506-S508 PolarHBondContact O-N 3.22Å; W506-S508 VanDerWaalsContact O-N 3.16Å; S508-E510 PolarHBondContact O-N 2.69Å; S508-E510 PolarHBondContact OG-N 3.3Å; S508-S511 PolarHBondContact N-OG 3.07Å; S508-S511 WeakPolarHBondContact O-CB 3.35Å; S508-S511 PolarHBondContact O-N 3.48Å; S508-S511 PolarHBondContact O-OG 3.2Å; S508-S511 PolarHBondContact OG-N 3.08Å
509	K	73	Confident	85.6	Confident	186 Å²	186	72 Å²	72	81%	0.809	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-20	174.1	-65.2	-173.7	178.6	-177.3	0	113.7
510	E	73.3	Confident	85.3	Confident	188 Å²	188	72.8 Å²	72.8	88%	0.879	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.7	174.1	-63.3	-177.9	172.2	0	0	112.6	S508 I512	S508-E510 PolarHBondContact O-N 2.69Å; S508-E510 PolarHBondContact OG-N 3.3Å; E510-I512 VanDerWaalsContact C-N 3.27Å; E510-I512 PolarHBondContact O-N 3.38Å
511	S	74.8	Confident	85.2	Confident	42 Å²	42	73.6 Å²	73.6	29%	0.294	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-15.9	174.9	72.4	0	0	0	0	113.6	W506 S508 I513	W506-S511 VanDerWaalsContact CE3-O 3.27Å; W506-S511 WeakPolarHBondContact CZ3-O 3.42Å; S508-S511 PolarHBondContact N-OG 3.07Å; S508-S511 WeakPolarHBondContact O-CB 3.35Å; S508-S511 PolarHBondContact O-N 3.48Å; S508-S511 PolarHBondContact O-OG 3.2Å; S508-S511 PolarHBondContact OG-N 3.08Å; S511-I513 PolarHBondContact O-N 2.88Å
512	I	80.9	Confident	85	Confident	53 Å²	53	76.8 Å²	76.8	27%	0.272	41%	0.408	S	S	.	.	S	Bend	trans	-62.3	117.7	177.8	-57	174.8	0	0	0	109.3	Y215 W506 E510 K514	Y215-I512 HydrophobicContact CD1-CG2 4.37Å; W506-I512 HydrophobicContact CB-CG1 4.07Å; W506-I512 HydrophobicContact CD2-CB 4.45Å; W506-I512 HydrophobicContact CD2-CG1 4Å; W506-I512 HydrophobicContact CG-CG1 3.71Å; E510-I512 VanDerWaalsContact C-N 3.27Å; E510-I512 PolarHBondContact O-N 3.38Å; I512-K514 PolarHBondContact O-N 2.85Å
513	I	85.8	Confident	84.7	Confident	24 Å²	24	84 Å²	84	12%	0.123	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-62.6	126	179.3	-69.6	174.5	0	0	0	109.9	W217 R278 L306 W506 S511	W217-I513 PolarHBondContact NE1-O 3.09Å; R278-I513 HydrophobicContact CB-CG2 3.57Å; R278-I513 HydrophobicContact CG-CG2 4.3Å; L306-I513 HydrophobicContact CB-CD1 3.95Å; L306-I513 HydrophobicContact CD1-CD1 4.42Å; L306-I513 HydrophobicContact CD2-CD1 4.45Å; W506-I513 HydrophobicContact CH2-CB 4.24Å; W506-I513 HydrophobicContact CH2-CD1 4.04Å; W506-I513 HydrophobicContact CH2-CG1 3.94Å; W506-I513 HydrophobicContact CZ3-CD1 4.37Å; W506-I513 HydrophobicContact CZ3-CG1 4.11Å; S511-I513 PolarHBondContact O-N 2.88Å
514	K	87.4	Confident	84.5	Confident	145 Å²	145	77.3 Å²	77.3	63%	0.63	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-79.9	133.7	167.5	-67	-179.4	172.7	-174.9	0	110	I512 E519	I512-K514 PolarHBondContact O-N 2.85Å; K514-E519 IonicContact NZ-OE1 2.73Å; K514-E519 PolarHBondContact NZ-OE1 3.28Å
515	S	93.2	Very high	84.6	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.393	C	S	.	.			trans	-137.9	85	173.6	-155.5	0	0	0	0	109.2	S218 Y219 K276 R278 V279	S218-S515 PolarHBondContact N-O 2.94Å; S218-S515 VanDerWaalsContact N-O 3.12Å; Y219-S515 PolarHBondContact N-O 2.85Å; Y219-S515 CarbonylContact O-C 3.59Å; Y219-S515 WeakPolarHBondContact O-CB 3.48Å; Y219-S515 PolarHBondContact O-OG 2.83Å; K276-S515 CarbonylContact O-C 3.6Å; K276-S515 WeakPolarHBondContact O-CA 3.32Å; R278-S515 PolarHBondContact N-OG 2.93Å; V279-S515 PolarHBondContact N-OG 2.99Å; V279-S515 VanDerWaalsContact N-OG 3.11Å
516	V	92.1	Very high	84.7	Confident	45 Å²	45	74.9 Å²	74.9	27%	0.273	39%	0.391	S	S	.	.			trans	-148	136.3	-165.6	174.3	0	0	0	0	108	K276 S518	K276-V516 PolarHBondContact O-N 3.02Å; K276-V516 VanDerWaalsContact O-N 3.08Å; V516-S518 WeakPolarHBondContact CG1-O 3.47Å
517	C	90.9	Very high	84.8	Confident	8 Å²	8	75 Å²	75	5%	0.054	39%	0.392	C	S	.	.	S	Bend	trans	-78.5	-37.3	-176.8	-171.9	0	0	0	0	113.5	Y219 K276 C536 C537	Y219-C517 HydrophobicContact CD1-CB 3.8Å; Y219-C517 HydrophobicContact CD2-CB 3.95Å; Y219-C517 HydrophobicContact CE1-CB 4.2Å; Y219-C517 HydrophobicContact CE2-CB 4.33Å; Y219-C517 HydrophobicContact CG-CB 3.67Å; K276-C517 WeakPolarHBondContact CD-O 3.08Å; K276-C517 VanDerWaalsContact CE-O 3.3Å; K276-C517 WeakPolarHBondContact CE-O 3.05Å; K276-C517 PolarHBondContact NZ-O 3.24Å; C517-C536 WeakPolarHBondContact CB-O 3.38Å; C517-C537 HydrophobicContact CB-CB 4.03Å; C517-C537 WeakPolarHBondContact CB-SG 3.41Å; C517-C537 WeakPolarHBondContact SG-CB 3.37Å; C517-C537 CovalentContact SG-SG 2.03Å; C517-C537 PolarHBondContact SG-SG 3.11Å
518	S	88.8	Confident	85.1	Confident	23 Å²	23	72 Å²	72	16%	0.161	37%	0.368	C	S	.	.	S	Bend	trans	-142.3	133.9	-178.3	-65.4	0	0	0	0	109.5	V516 W538	V516-S518 WeakPolarHBondContact CG1-O 3.47Å; S518-W538 WeakPolarHBondContact CB-O 3.36Å; S518-W538 VanDerWaalsContact O-CZ2 3.28Å; S518-W538 WeakPolarHBondContact O-CZ2 3.07Å; S518-W538 PolarHBondContact OG-N 3.14Å; S518-W538 PolarHBondContact OG-O 2.61Å
519	E	87	Confident	85.5	Confident	125 Å²	125	72.5 Å²	72.5	58%	0.584	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-71.4	158.6	179	-64.7	-163	123.6	0	0	111.4	K514 C521 W538	K514-E519 IonicContact NZ-OE1 2.73Å; K514-E519 PolarHBondContact NZ-OE1 3.28Å; E519-C521 PolarHBondContact O-N 2.87Å; E519-W538 PolarHBondContact O-NE1 3.34Å
520	P	88	Confident	85.7	Confident	112 Å²	112	70.6 Å²	70.6	73%	0.727	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-57	136.1	173.5	-23	34.5	0	0	0	111.1
521	C	89.5	Confident	85.6	Confident	32 Å²	32	71.9 Å²	71.9	22%	0.216	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-73.2	150.9	-176.2	-55.4	0	0	0	0	112.7	E519 Q525 C540	E519-C521 PolarHBondContact O-N 2.87Å; C521-Q525 HydrophobicContact CB-CB 3.86Å; C521-C540 WeakPolarHBondContact CA-SG 3.41Å; C521-C540 HydrophobicContact CB-CB 3.65Å; C521-C540 WeakPolarHBondContact CB-SG 3.4Å; C521-C540 VanDerWaalsContact SG-CA 3.58Å; C521-C540 WeakPolarHBondContact SG-CB 3.47Å; C521-C540 CovalentContact SG-SG 2.04Å; C521-C540 PolarHBondContact SG-SG 3.04Å
522	D	87.1	Confident	85.3	Confident	115 Å²	115	74.1 Å²	74.1	62%	0.615	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-71.2	167.8	176.7	-64.6	-62.1	0	0	0	112.7	G524 Q525	D522-G524 PolarHBondContact O-N 2.92Å; D522-Q525 HydrophobicContact CB-CG 4.41Å; D522-Q525 VanDerWaalsContact N-OE1 3.07Å; D522-Q525 WeakPolarHBondContact O-CB 3.24Å; D522-Q525 PolarHBondContact O-N 2.85Å; D522-Q525 PolarHBondContact OD2-NE2 3.23Å
523	K	82.1	Confident	85	Confident	200 Å²	200	75.7 Å²	75.7	87%	0.87	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	130.3	172.7	-62.1	-178.2	-179.7	-179	0	110.8	Q525	K523-Q525 VanDerWaalsContact C-N 3.33Å
524	G	82.4	Confident	84.8	Confident	6 Å²	6	77.3 Å²	77.3	6%	0.062	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	2.5	-176.5	0	0	0	0	0	115	D522 L542 C543 L568	D522-G524 PolarHBondContact O-N 2.92Å; G524-L542 WeakPolarHBondContact O-CA 2.96Å; G524-C543 PolarHBondContact O-N 3.47Å; G524-L568 VanDerWaalsContact CA-CD1 3.5Å
525	Q	88.5	Confident	84.5	Confident	47 Å²	47	74 Å²	74	22%	0.22	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	148.8	171	-62.1	168.9	10.6	0	0	111	C521 D522 K523 C540 T541 L542	C521-Q525 HydrophobicContact CB-CB 3.86Å; D522-Q525 HydrophobicContact CB-CG 4.41Å; D522-Q525 VanDerWaalsContact N-OE1 3.07Å; D522-Q525 WeakPolarHBondContact O-CB 3.24Å; D522-Q525 PolarHBondContact O-N 2.85Å; D522-Q525 PolarHBondContact OD2-NE2 3.23Å; K523-Q525 VanDerWaalsContact C-N 3.33Å; Q525-C540 HydrophobicContact CB-CB 4.28Å; Q525-T541 CarbonylContact C-O 3.24Å; Q525-T541 VanDerWaalsContact CA-O 3.28Å; Q525-T541 WeakPolarHBondContact CA-O 3.27Å; Q525-L542 HydrophobicContact CG-CD1 3.83Å
526	I	89.1	Confident	84.2	Confident	18 Å²	18	74.4 Å²	74.4	9%	0.092	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	154.8	170.7	57.3	162.8	0	0	0	111.4	V528 C540 T541 V549 E552	I526-V528 HydrophobicContact CD1-CG2 4.23Å; I526-V528 HydrophobicContact CG1-CG2 4.3Å; I526-C540 WeakPolarHBondContact O-CA 3.45Å; I526-T541 WeakPolarHBondContact CG1-OG1 3.23Å; I526-T541 PolarHBondContact N-O 3.15Å; I526-T541 PolarHBondContact O-N 3.03Å; I526-V549 HydrophobicContact CG2-CG1 4.15Å; I526-V549 HydrophobicContact CG2-CG2 4.36Å; I526-E552 CarbonylContact C-O 3.49Å; I526-E552 WeakPolarHBondContact CA-O 3.4Å; I526-E552 WeakPolarHBondContact CB-O 3.47Å
527	K	89.3	Confident	84.1	Confident	31 Å²	31	72.9 Å²	72.9	14%	0.135	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.1	173.9	-61.1	176.4	-169.7	171.7	0	109.7	W538 E552 Y553	K527-W538 HydrophobicContact CB-CB 3.87Å; K527-W538 HydrophobicContact CB-CD2 4.48Å; K527-W538 HydrophobicContact CB-CG 3.94Å; K527-W538 HydrophobicContact CD-CD2 3.99Å; K527-W538 HydrophobicContact CD-CE3 4.22Å; K527-W538 HydrophobicContact CD-CG 4.3Å; K527-W538 HydrophobicContact CG-CB 4.38Å; K527-W538 HydrophobicContact CG-CD2 4.11Å; K527-W538 HydrophobicContact CG-CG 3.89Å; K527-E552 HydrophobicContact CD-CB 4.31Å; K527-E552 WeakPolarHBondContact CE-OE1 3.39Å; K527-E552 PolarHBondContact N-O 2.99Å; K527-E552 IonicContact NZ-OE1 2.7Å; K527-E552 PolarHBondContact NZ-OE1 3.24Å; K527-E552 IonicContact NZ-OE2 3.67Å; K527-E552 PolarHBondContact NZ-OE2 3.08Å; K527-Y553 HydrophobicContact CB-CD1 3.88Å; K527-Y553 HydrophobicContact CB-CE1 3.82Å; K527-Y553 HydrophobicContact CD-CE1 4.17Å; K527-Y553 WeakPolarHBondContact O-CD1 3.35Å
528	V	87.1	Confident	84.1	Confident	57 Å²	57	74.3 Å²	74.3	35%	0.345	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	109.5	173.9	-179.2	0	0	0	0	109.6	I526 T539 T541	I526-V528 HydrophobicContact CD1-CG2 4.23Å; I526-V528 HydrophobicContact CG1-CG2 4.3Å; V528-T539 PolarHBondContact N-O 3.3Å; V528-T539 PolarHBondContact O-N 2.76Å; V528-T541 HydrophobicContact CB-CG2 4.36Å; V528-T541 HydrophobicContact CG2-CG2 3.95Å; V528-T541 VanDerWaalsContact CG2-OG1 3.26Å; V528-T541 WeakPolarHBondContact CG2-OG1 3.36Å
529	I	85.2	Confident	84.1	Confident	65 Å²	65	76 Å²	76	33%	0.333	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.5	174.9	-58	162.1	0	0	0	108.5	S535 W538 Y553	I529-S535 WeakPolarHBondContact CD1-O 3.48Å; I529-W538 HydrophobicContact CG1-CB 4.17Å; I529-Y553 HydrophobicContact CD1-CE1 3.89Å
530	R	78.2	Confident	84.4	Confident	147 Å²	147	72.2 Å²	72.2	56%	0.555	39%	0.393	S	S	*	.			trans	-83.8	146.1	178	-68.5	169.6	166.9	-171	0	111.1	G532 E533	R530-G532 PolarHBondContact O-N 3.36Å; R530-G532 VanDerWaalsContact O-N 3.12Å; R530-E533 HydrophobicContact CB-CB 4.35Å; R530-E533 HydrophobicContact CB-CG 4.12Å; R530-E533 VanDerWaalsContact CD-CD 3.5Å; R530-E533 WeakPolarHBondContact CD-OE1 3.25Å; R530-E533 WeakPolarHBondContact CD-OE2 3.45Å; R530-E533 IonicContact NH1-OE1 2.74Å; R530-E533 PolarHBondContact O-N 2.94Å
531	K	70.3	Confident	84.5	Confident	215 Å²	215	69.4 Å²	69.4	94%	0.935	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	113.7	177.6	-65.9	-176.5	179.8	179.6	0	110
532	G	69.1	Low	84.5	Confident	88 Å²	88	74.2 Å²	74.2	91%	0.907	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.4	-8.5	-176.9	0	0	0	0	0	114.7	R530	R530-G532 PolarHBondContact O-N 3.36Å; R530-G532 VanDerWaalsContact O-N 3.12Å
533	E	74.1	Confident	84.6	Confident	86 Å²	86	69.3 Å²	69.3	40%	0.402	37%	0.371	S	S	.	.	S	Bend	trans	-92.8	155.9	168.9	-67.8	173.5	-166	0	0	110.1	R530	R530-E533 HydrophobicContact CB-CB 4.35Å; R530-E533 HydrophobicContact CB-CG 4.12Å; R530-E533 VanDerWaalsContact CD-CD 3.5Å; R530-E533 WeakPolarHBondContact CD-OE1 3.25Å; R530-E533 WeakPolarHBondContact CD-OE2 3.45Å; R530-E533 IonicContact NH1-OE1 2.74Å; R530-E533 PolarHBondContact O-N 2.94Å
534	V	81.4	Confident	84.8	Confident	58 Å²	58	65.8 Å²	65.8	35%	0.352	36%	0.356	S	S	.	.			trans	-74.3	153.7	179.7	-61.5	0	0	0	0	111.7	Y219 C247 C536 C537	Y219-V534 HydrophobicContact CD2-CG2 4.44Å; Y219-V534 HydrophobicContact CE2-CG2 3.95Å; C247-V534 HydrophobicContact CB-CG2 4.22Å; V534-C536 VanDerWaalsContact C-N 3.26Å; V534-C536 PolarHBondContact O-N 3.49Å; V534-C536 VanDerWaalsContact O-N 3.12Å; V534-C537 HydrophobicContact CG2-CB 4.12Å; V534-C537 WeakPolarHBondContact CG2-SG 3.27Å; V534-C537 WeakPolarHBondContact O-CB 3.48Å; V534-C537 PolarHBondContact O-N 3.41Å
535	S	81.2	Confident	84.9	Confident	76 Å²	76	71.5 Å²	71.5	53%	0.531	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-33	-173.7	46	0	0	0	0	115	C247 I529 C537	C247-S535 PolarHBondContact SG-OG 3.24Å; C247-S535 VanDerWaalsContact SG-OG 3.34Å; I529-S535 WeakPolarHBondContact CD1-O 3.48Å; S535-C537 VanDerWaalsContact C-N 3.25Å; S535-C537 PolarHBondContact O-N 2.94Å
536	C	87.7	Confident	84.9	Confident	8 Å²	8	71.7 Å²	71.7	5%	0.054	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-4.6	178.2	-45	0	0	0	0	114	S218 G245 C247 C517 V534	S218-C536 PolarHBondContact O-SG 3.47Å; S218-C536 VanDerWaalsContact O-SG 3.37Å; G245-C536 PolarHBondContact O-SG 3.45Å; G245-C536 VanDerWaalsContact O-SG 3.35Å; C247-C536 HydrophobicContact CB-CB 3.67Å; C247-C536 WeakPolarHBondContact CB-SG 3.45Å; C247-C536 PolarHBondContact N-SG 3.18Å; C247-C536 WeakPolarHBondContact SG-CB 3.48Å; C247-C536 PolarHBondContact SG-N 2.81Å; C247-C536 CovalentContact SG-SG 2.04Å; C247-C536 PolarHBondContact SG-SG 3.34Å; C517-C536 WeakPolarHBondContact CB-O 3.38Å; V534-C536 VanDerWaalsContact C-N 3.26Å; V534-C536 PolarHBondContact O-N 3.49Å; V534-C536 VanDerWaalsContact O-N 3.12Å
537	C	90.2	Very high	84.9	Confident	13 Å²	13	72.1 Å²	72.1	9%	0.088	39%	0.385	C	S	.	.			trans	-104.5	84	175.4	-63.5	0	0	0	0	109.8	C517 V534 S535	C517-C537 HydrophobicContact CB-CB 4.03Å; C517-C537 WeakPolarHBondContact CB-SG 3.41Å; C517-C537 WeakPolarHBondContact SG-CB 3.37Å; C517-C537 CovalentContact SG-SG 2.03Å; C517-C537 PolarHBondContact SG-SG 3.11Å; V534-C537 HydrophobicContact CG2-CB 4.12Å; V534-C537 WeakPolarHBondContact CG2-SG 3.27Å; V534-C537 WeakPolarHBondContact O-CB 3.48Å; V534-C537 PolarHBondContact O-N 3.41Å; S535-C537 VanDerWaalsContact C-N 3.25Å; S535-C537 PolarHBondContact O-N 2.94Å
538	W	90	Very high	84.9	Confident	38 Å²	38	71.8 Å²	71.8	14%	0.144	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	152.6	171.1	54.4	79.4	0	0	0	111.7	S518 E519 K527 I529	S518-W538 WeakPolarHBondContact CB-O 3.36Å; S518-W538 VanDerWaalsContact O-CZ2 3.28Å; S518-W538 WeakPolarHBondContact O-CZ2 3.07Å; S518-W538 PolarHBondContact OG-N 3.14Å; S518-W538 PolarHBondContact OG-O 2.61Å; E519-W538 PolarHBondContact O-NE1 3.34Å; K527-W538 HydrophobicContact CB-CB 3.87Å; K527-W538 HydrophobicContact CB-CD2 4.48Å; K527-W538 HydrophobicContact CB-CG 3.94Å; K527-W538 HydrophobicContact CD-CD2 3.99Å; K527-W538 HydrophobicContact CD-CE3 4.22Å; K527-W538 HydrophobicContact CD-CG 4.3Å; K527-W538 HydrophobicContact CG-CB 4.38Å; K527-W538 HydrophobicContact CG-CD2 4.11Å; K527-W538 HydrophobicContact CG-CG 3.89Å; I529-W538 HydrophobicContact CG1-CB 4.17Å
539	T	89.7	Confident	85.1	Confident	59 Å²	59	70.9 Å²	70.9	36%	0.362	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.7	160.2	-56.2	0	0	0	0	108.2	V528 T541	V528-T539 PolarHBondContact N-O 3.3Å; V528-T539 PolarHBondContact O-N 2.76Å; T539-T541 HydrophobicContact CG2-CG2 4.38Å
540	C	91.4	Very high	85.2	Confident	45 Å²	45	74.3 Å²	74.3	30%	0.304	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.3	173.9	-58.7	0	0	0	0	110.4	C521 Q525 I526	C521-C540 WeakPolarHBondContact CA-SG 3.41Å; C521-C540 HydrophobicContact CB-CB 3.65Å; C521-C540 WeakPolarHBondContact CB-SG 3.4Å; C521-C540 VanDerWaalsContact SG-CA 3.58Å; C521-C540 WeakPolarHBondContact SG-CB 3.47Å; C521-C540 CovalentContact SG-SG 2.04Å; C521-C540 PolarHBondContact SG-SG 3.04Å; Q525-C540 HydrophobicContact CB-CB 4.28Å; I526-C540 WeakPolarHBondContact O-CA 3.45Å
541	T	90.2	Very high	85.5	Confident	54 Å²	54	71.1 Å²	71.1	33%	0.331	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133	180	62	0	0	0	0	111.5	Q525 I526 V528 T539	Q525-T541 CarbonylContact C-O 3.24Å; Q525-T541 VanDerWaalsContact CA-O 3.28Å; Q525-T541 WeakPolarHBondContact CA-O 3.27Å; I526-T541 WeakPolarHBondContact CG1-OG1 3.23Å; I526-T541 PolarHBondContact N-O 3.15Å; I526-T541 PolarHBondContact O-N 3.03Å; V528-T541 HydrophobicContact CB-CG2 4.36Å; V528-T541 HydrophobicContact CG2-CG2 3.95Å; V528-T541 VanDerWaalsContact CG2-OG1 3.26Å; V528-T541 WeakPolarHBondContact CG2-OG1 3.36Å; T539-T541 HydrophobicContact CG2-CG2 4.38Å
542	L	89.8	Confident	86.3	Confident	132 Å²	132	65.6 Å²	65.6	69%	0.691	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	140.9	178.4	-137.9	93.3	0	0	0	111.8	G524 Q525	G524-L542 WeakPolarHBondContact O-CA 2.96Å; Q525-L542 HydrophobicContact CG-CD1 3.83Å
543	C	88.9	Confident	87.1	Confident	13 Å²	13	66.3 Å²	66.3	9%	0.088	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-68.2	159.8	164.3	-60.8	0	0	0	0	111.4	G524 E547 C555	G524-C543 PolarHBondContact O-N 3.47Å; C543-E547 HydrophobicContact CB-CB 4.15Å; C543-C555 WeakPolarHBondContact CA-SG 3.47Å; C543-C555 HydrophobicContact CB-CB 3.77Å; C543-C555 WeakPolarHBondContact CB-SG 3.49Å; C543-C555 WeakPolarHBondContact SG-CB 3.5Å; C543-C555 CovalentContact SG-SG 2.04Å; C543-C555 PolarHBondContact SG-SG 3.21Å
544	K	86.9	Confident	87.9	Confident	126 Å²	126	65.7 Å²	65.7	55%	0.548	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-73.3	161.1	172.9	-58.8	176.4	-150.7	71.8	0	110.9	N546 E547	K544-N546 PolarHBondContact O-N 2.98Å; K544-E547 HydrophobicContact CB-CB 4.38Å; K544-E547 HydrophobicContact CB-CG 4.11Å; K544-E547 WeakPolarHBondContact CB-OE2 3.47Å; K544-E547 VanDerWaalsContact CG-OE2 3.26Å; K544-E547 WeakPolarHBondContact CG-OE2 3.09Å; K544-E547 PolarHBondContact N-OE2 2.92Å; K544-E547 IonicContact NZ-OE1 2.83Å; K544-E547 PolarHBondContact NZ-OE1 2.82Å; K544-E547 IonicContact NZ-OE2 3.19Å; K544-E547 PolarHBondContact NZ-OE2 2.81Å; K544-E547 PolarHBondContact O-N 3.19Å
545	E	85.4	Confident	88.3	Confident	126 Å²	126	64.2 Å²	64.2	59%	0.589	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.7	-178.6	-55.9	-171.5	152.8	0	0	115.1	W563 P564 R733	E545-W563 HydrophobicContact CB-CH2 3.84Å; E545-W563 HydrophobicContact CB-CZ2 4.13Å; E545-W563 WeakPolarHBondContact O-CH2 3.49Å; E545-W563 VanDerWaalsContact O-CZ2 3.22Å; E545-W563 WeakPolarHBondContact O-CZ2 3.35Å; E545-P564 WeakPolarHBondContact O-CG 3.27Å; E545-R733 VanDerWaalsContact CD-NH2 3.28Å; E545-R733 IonicContact OE1-NH2 3.75Å; E545-R733 PolarHBondContact OE1-NH2 3.07Å; E545-R733 IonicContact OE2-CZ 2.74Å; E545-R733 IonicContact OE2-NH2 2.8Å; E545-R733 PolarHBondContact OE2-NH2 3.19Å
546	N	87.1	Confident	88.8	Confident	51 Å²	51	64.9 Å²	64.9	27%	0.273	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	9	179.1	72.5	-72.4	0	0	0	113	K544 A557 C558 W563 I732	K544-N546 PolarHBondContact O-N 2.98Å; N546-A557 WeakPolarHBondContact O-CA 3.11Å; N546-C558 PolarHBondContact O-N 2.95Å; N546-W563 HydrophobicContact CB-CZ3 4.45Å; N546-I732 HydrophobicContact CB-CD1 4.37Å
547	E	89.8	Confident	88.9	Confident	27 Å²	27	66.8 Å²	66.8	13%	0.126	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.8	-176.2	-65.9	170.6	171.6	0	0	110.5	C543 K544 C555 Q556 A557	C543-E547 HydrophobicContact CB-CB 4.15Å; K544-E547 HydrophobicContact CB-CB 4.38Å; K544-E547 HydrophobicContact CB-CG 4.11Å; K544-E547 WeakPolarHBondContact CB-OE2 3.47Å; K544-E547 VanDerWaalsContact CG-OE2 3.26Å; K544-E547 WeakPolarHBondContact CG-OE2 3.09Å; K544-E547 PolarHBondContact N-OE2 2.92Å; K544-E547 IonicContact NZ-OE1 2.83Å; K544-E547 PolarHBondContact NZ-OE1 2.82Å; K544-E547 IonicContact NZ-OE2 3.19Å; K544-E547 PolarHBondContact NZ-OE2 2.81Å; K544-E547 PolarHBondContact O-N 3.19Å; E547-C555 HydrophobicContact CB-CB 4.13Å; E547-Q556 CarbonylContact C-O 3.5Å; E547-Q556 WeakPolarHBondContact CA-O 3.45Å; E547-A557 HydrophobicContact CG-CB 3.99Å
548	F	90.2	Very high	89	Confident	23 Å²	23	67.1 Å²	67.1	10%	0.101	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	159.5	175.7	73.8	-86.1	0	0	0	109.8	F550 C555 Q556 P564 L568 T569 C571	F548-F550 HydrophobicContact CE2-CB 4.03Å; F548-F550 HydrophobicContact CE2-CD2 4.12Å; F548-F550 HydrophobicContact CZ-CB 4.45Å; F548-F550 HydrophobicContact CZ-CD2 4.21Å; F548-F550 PolarHBondContact O-N 2.86Å; F548-C555 CarbonylContact O-C 3.57Å; F548-C555 VanDerWaalsContact O-CA 3.26Å; F548-C555 WeakPolarHBondContact O-CA 3.15Å; F548-Q556 HydrophobicContact CD1-CB 4.44Å; F548-Q556 WeakPolarHBondContact CD1-O 3.36Å; F548-Q556 HydrophobicContact CE1-CB 3.87Å; F548-Q556 HydrophobicContact CE1-CG 4.02Å; F548-Q556 HydrophobicContact CZ-CB 3.98Å; F548-Q556 HydrophobicContact CZ-CG 4.25Å; F548-Q556 PolarHBondContact N-O 2.84Å; F548-Q556 PolarHBondContact O-N 2.77Å; F548-P564 HydrophobicContact CB-CB 4.42Å; F548-L568 WeakPolarHBondContact CB-O 3.15Å; F548-T569 VanDerWaalsContact CD2-C 3.48Å; F548-C571 WeakPolarHBondContact CD1-SG 3.31Å
549	V	91.3	Very high	89	Confident	38 Å²	38	71.5 Å²	71.5	23%	0.23	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	110.5	175.6	-178.6	0	0	0	0	108.3	I526 D551 L568	I526-V549 HydrophobicContact CG2-CG1 4.15Å; I526-V549 HydrophobicContact CG2-CG2 4.36Å; V549-D551 WeakPolarHBondContact CG1-O 3.31Å; V549-L568 PolarHBondContact N-O 3.24Å
550	F	86.8	Confident	88.8	Confident	138 Å²	138	75.3 Å²	75.3	61%	0.605	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	-39	176.4	177.1	-93.6	0	0	0	111.6	F548 T554 Q556	F548-F550 HydrophobicContact CE2-CB 4.03Å; F548-F550 HydrophobicContact CE2-CD2 4.12Å; F548-F550 HydrophobicContact CZ-CB 4.45Å; F548-F550 HydrophobicContact CZ-CD2 4.21Å; F548-F550 PolarHBondContact O-N 2.86Å; F550-T554 PolarHBondContact N-O 3.2Å; F550-T554 VanDerWaalsContact N-O 3.07Å; F550-Q556 HydrophobicContact CB-CB 3.89Å
551	D	84.8	Confident	88.6	Confident	80 Å²	80	74 Å²	74	43%	0.428	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	162.8	176.1	178	38.4	0	0	0	109.1	V549 Y553 T554	V549-D551 WeakPolarHBondContact CG1-O 3.31Å; D551-Y553 PolarHBondContact O-N 3.39Å; D551-T554 PolarHBondContact N-O 3.38Å; D551-T554 PolarHBondContact O-N 3.11Å
552	E	85.4	Confident	88.6	Confident	99 Å²	99	72.4 Å²	72.4	46%	0.463	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-25.3	-179.2	-66.9	-160.3	125.6	0	0	113.5	I526 K527	I526-E552 CarbonylContact C-O 3.49Å; I526-E552 WeakPolarHBondContact CA-O 3.4Å; I526-E552 WeakPolarHBondContact CB-O 3.47Å; K527-E552 HydrophobicContact CD-CB 4.31Å; K527-E552 WeakPolarHBondContact CE-OE1 3.39Å; K527-E552 PolarHBondContact N-O 2.99Å; K527-E552 IonicContact NZ-OE1 2.7Å; K527-E552 PolarHBondContact NZ-OE1 3.24Å; K527-E552 IonicContact NZ-OE2 3.67Å; K527-E552 PolarHBondContact NZ-OE2 3.08Å
553	Y	87.4	Confident	88.6	Confident	102 Å²	102	69.2 Å²	69.2	40%	0.4	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	0.3	-177.2	-56.3	-85.1	0	0	0	113.8	K527 I529 D551	K527-Y553 HydrophobicContact CB-CD1 3.88Å; K527-Y553 HydrophobicContact CB-CE1 3.82Å; K527-Y553 HydrophobicContact CD-CE1 4.17Å; K527-Y553 WeakPolarHBondContact O-CD1 3.35Å; I529-Y553 HydrophobicContact CD1-CE1 3.89Å; D551-Y553 PolarHBondContact O-N 3.39Å
554	T	89.4	Confident	88.7	Confident	73 Å²	73	69 Å²	69	45%	0.448	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	122.3	-170.3	-65.6	0	0	0	0	113.8	F550 D551	F550-T554 PolarHBondContact N-O 3.2Å; F550-T554 VanDerWaalsContact N-O 3.07Å; D551-T554 PolarHBondContact N-O 3.38Å; D551-T554 PolarHBondContact O-N 3.11Å
555	C	91.4	Very high	88.8	Confident	27 Å²	27	65 Å²	65	18%	0.182	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	140.6	164.9	-52.1	0	0	0	0	110.3	C543 E547 F548	C543-C555 WeakPolarHBondContact CA-SG 3.47Å; C543-C555 HydrophobicContact CB-CB 3.77Å; C543-C555 WeakPolarHBondContact CB-SG 3.49Å; C543-C555 WeakPolarHBondContact SG-CB 3.5Å; C543-C555 CovalentContact SG-SG 2.04Å; C543-C555 PolarHBondContact SG-SG 3.21Å; E547-C555 HydrophobicContact CB-CB 4.13Å; F548-C555 CarbonylContact O-C 3.57Å; F548-C555 VanDerWaalsContact O-CA 3.26Å; F548-C555 WeakPolarHBondContact O-CA 3.15Å
556	Q	91.4	Very high	88.8	Confident	91 Å²	91	67.5 Å²	67.5	43%	0.425	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.1	174.1	-178.2	174.4	-7.6	0	0	111	E547 F548 F550	E547-Q556 CarbonylContact C-O 3.5Å; E547-Q556 WeakPolarHBondContact CA-O 3.45Å; F548-Q556 HydrophobicContact CD1-CB 4.44Å; F548-Q556 WeakPolarHBondContact CD1-O 3.36Å; F548-Q556 HydrophobicContact CE1-CB 3.87Å; F548-Q556 HydrophobicContact CE1-CG 4.02Å; F548-Q556 HydrophobicContact CZ-CB 3.98Å; F548-Q556 HydrophobicContact CZ-CG 4.25Å; F548-Q556 PolarHBondContact N-O 2.84Å; F548-Q556 PolarHBondContact O-N 2.77Å; F550-Q556 HydrophobicContact CB-CB 3.89Å
557	A	90.2	Very high	88.5	Confident	47 Å²	47	67.3 Å²	67.3	39%	0.388	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	141.2	177.7	0	0	0	0	0	112.6	N546 E547	N546-A557 WeakPolarHBondContact O-CA 3.11Å; E547-A557 HydrophobicContact CG-CB 3.99Å
558	C	90.4	Very high	88.3	Confident	21 Å²	21	68.6 Å²	68.6	14%	0.142	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-70.9	153.6	171.7	-69.8	0	0	0	0	112.6	N546 C571	N546-C558 PolarHBondContact O-N 2.95Å; C558-C571 WeakPolarHBondContact CA-SG 3.45Å; C558-C571 HydrophobicContact CB-CB 3.81Å; C558-C571 WeakPolarHBondContact CB-SG 3.49Å; C558-C571 WeakPolarHBondContact SG-CB 3.3Å; C558-C571 CovalentContact SG-SG 2.03Å; C558-C571 PolarHBondContact SG-SG 3.39Å
559	N	90.1	Very high	88.1	Confident	130 Å²	130	72.9 Å²	72.9	70%	0.695	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-70.9	154.9	176.9	-71.4	-50.8	0	0	0	111.6	G561 S562	N559-G561 PolarHBondContact O-N 2.64Å; N559-S562 PolarHBondContact N-OG 3.18Å; N559-S562 VanDerWaalsContact N-OG 3.11Å; N559-S562 PolarHBondContact O-N 3.25Å; N559-S562 PolarHBondContact O-OG 3.12Å
560	L	86.9	Confident	88	Confident	138 Å²	138	71.9 Å²	71.9	72%	0.723	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	125.6	174.7	-67.4	173.1	0	0	0	111
561	G	85.9	Confident	88.2	Confident	17 Å²	17	67.4 Å²	67.4	18%	0.175	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	5.4	-174.2	0	0	0	0	0	115.3	N559 I574	N559-G561 PolarHBondContact O-N 2.64Å; G561-I574 PolarHBondContact O-N 3.35Å
562	S	90.1	Very high	88.5	Confident	22 Å²	22	67.9 Å²	67.9	15%	0.154	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153	171.3	64.5	0	0	0	0	111.5	N559 D572	N559-S562 PolarHBondContact N-OG 3.18Å; N559-S562 VanDerWaalsContact N-OG 3.11Å; N559-S562 PolarHBondContact O-N 3.25Å; N559-S562 PolarHBondContact O-OG 3.12Å; S562-D572 CarbonylContact C-O 3.58Å; S562-D572 WeakPolarHBondContact CA-O 3.45Å; S562-D572 WeakPolarHBondContact CB-O 3.31Å
563	W	90.4	Very high	88.8	Confident	65 Å²	65	68.3 Å²	68.3	25%	0.246	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.6	-173.9	-173.4	-95.8	0	0	0	110.4	E545 N546 N565 C571 D572 I574 I732 R733	E545-W563 HydrophobicContact CB-CH2 3.84Å; E545-W563 HydrophobicContact CB-CZ2 4.13Å; E545-W563 WeakPolarHBondContact O-CH2 3.49Å; E545-W563 VanDerWaalsContact O-CZ2 3.22Å; E545-W563 WeakPolarHBondContact O-CZ2 3.35Å; N546-W563 HydrophobicContact CB-CZ3 4.45Å; W563-N565 PolarHBondContact O-N 2.86Å; W563-C571 CarbonylContact O-C 3.54Å; W563-C571 WeakPolarHBondContact O-CA 3.38Å; W563-D572 PolarHBondContact N-O 2.72Å; W563-D572 PolarHBondContact O-N 3.14Å; W563-I574 HydrophobicContact CB-CD1 4.17Å; W563-I574 HydrophobicContact CB-CG1 3.88Å; W563-I732 HydrophobicContact CZ3-CD1 4.14Å; W563-I732 HydrophobicContact CZ3-CG1 4.3Å; W563-R733 HydrophobicContact CE3-CG 3.82Å; W563-R733 HydrophobicContact CH2-CG 3.95Å; W563-R733 HydrophobicContact CZ3-CG 3.51Å
564	P	91.4	Very high	88.9	Confident	8 Å²	8	64.7 Å²	64.7	5%	0.052	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	136.2	179.1	-26.4	35.1	0	0	0	113.6	E545 F548 L568 G570	E545-P564 WeakPolarHBondContact O-CG 3.27Å; F548-P564 HydrophobicContact CB-CB 4.42Å; P564-L568 HydrophobicContact CB-CD2 3.63Å; P564-G570 WeakPolarHBondContact CA-O 3.41Å
565	N	88.8	Confident	88.9	Confident	43 Å²	43	66.4 Å²	66.4	23%	0.23	40%	0.396	C	S	.	.			trans	-64.6	158.9	173.6	-57.9	54.6	0	0	0	110.8	W563 G567 L568 G570 C571 D572	W563-N565 PolarHBondContact O-N 2.86Å; N565-G567 PolarHBondContact O-N 2.83Å; N565-L568 WeakPolarHBondContact O-CA 3.43Å; N565-L568 PolarHBondContact O-N 3.3Å; N565-G570 PolarHBondContact N-O 2.99Å; N565-G570 VanDerWaalsContact N-O 3.13Å; N565-G570 PolarHBondContact OD1-O 2.85Å; N565-C571 VanDerWaalsContact OD1-CA 3.22Å; N565-C571 WeakPolarHBondContact OD1-CA 3.37Å; N565-C571 PolarHBondContact OD1-N 2.77Å; N565-D572 VanDerWaalsContact CG-CG 3.45Å; N565-D572 PolarHBondContact ND2-OD1 3.19Å; N565-D572 PolarHBondContact ND2-OD2 3.45Å; N565-D572 PolarHBondContact OD1-N 3.15Å; N565-D572 VanDerWaalsContact OD1-N 3.13Å
566	D	84.4	Confident	88.8	Confident	178 Å²	178	67.5 Å²	67.5	95%	0.952	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.5	177.7	-64.5	-38.9	0	0	0	114.2
567	G	82.1	Confident	88.5	Confident	47 Å²	47	67.8 Å²	67.8	49%	0.485	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.1	175.5	0	0	0	0	0	115.2	N565 T569	N565-G567 PolarHBondContact O-N 2.83Å; G567-T569 PolarHBondContact O-N 3.25Å
568	L	85.1	Confident	88.4	Confident	53 Å²	53	69.3 Å²	69.3	28%	0.277	40%	0.399	S	S	.	.	S	Bend	trans	53.2	35.5	-173.2	-60.5	174.1	0	0	0	114.1	G524 F548 V549 P564 N565	G524-L568 VanDerWaalsContact CA-CD1 3.5Å; F548-L568 WeakPolarHBondContact CB-O 3.15Å; V549-L568 PolarHBondContact N-O 3.24Å; P564-L568 HydrophobicContact CB-CD2 3.63Å; N565-L568 WeakPolarHBondContact O-CA 3.43Å; N565-L568 PolarHBondContact O-N 3.3Å
569	T	86.6	Confident	88.1	Confident	113 Å²	113	70.6 Å²	70.6	69%	0.693	41%	0.405	S	S	*	.	S	Bend	trans	-109.5	-0.3	179	53.8	0	0	0	0	114.4	F548 G567	F548-T569 VanDerWaalsContact CD2-C 3.48Å; G567-T569 PolarHBondContact O-N 3.25Å
570	G	87.9	Confident	87.9	Confident	17 Å²	17	70.7 Å²	70.7	18%	0.175	40%	0.395	C	S	.	.	S	Bend	trans	-178.8	-168.5	-174.3	0	0	0	0	0	111.9	P564 N565	P564-G570 WeakPolarHBondContact CA-O 3.41Å; N565-G570 PolarHBondContact N-O 2.99Å; N565-G570 VanDerWaalsContact N-O 3.13Å; N565-G570 PolarHBondContact OD1-O 2.85Å
571	C	92.3	Very high	87.8	Confident	45 Å²	45	69.8 Å²	69.8	30%	0.304	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.4	-177.8	-50.5	0	0	0	0	112.4	F548 C558 W563 N565	F548-C571 WeakPolarHBondContact CD1-SG 3.31Å; C558-C571 WeakPolarHBondContact CA-SG 3.45Å; C558-C571 HydrophobicContact CB-CB 3.81Å; C558-C571 WeakPolarHBondContact CB-SG 3.49Å; C558-C571 WeakPolarHBondContact SG-CB 3.3Å; C558-C571 CovalentContact SG-SG 2.03Å; C558-C571 PolarHBondContact SG-SG 3.39Å; W563-C571 CarbonylContact O-C 3.54Å; W563-C571 WeakPolarHBondContact O-CA 3.38Å; N565-C571 VanDerWaalsContact OD1-CA 3.22Å; N565-C571 WeakPolarHBondContact OD1-CA 3.37Å; N565-C571 PolarHBondContact OD1-N 2.77Å
572	D	91.7	Very high	87.7	Confident	89 Å²	89	79.5 Å²	79.5	48%	0.476	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	148.4	172.9	-76.4	-25.8	0	0	0	111.5	S562 W563 N565	S562-D572 CarbonylContact C-O 3.58Å; S562-D572 WeakPolarHBondContact CA-O 3.45Å; S562-D572 WeakPolarHBondContact CB-O 3.31Å; W563-D572 PolarHBondContact N-O 2.72Å; W563-D572 PolarHBondContact O-N 3.14Å; N565-D572 VanDerWaalsContact CG-CG 3.45Å; N565-D572 PolarHBondContact ND2-OD1 3.19Å; N565-D572 PolarHBondContact ND2-OD2 3.45Å; N565-D572 PolarHBondContact OD1-N 3.15Å; N565-D572 VanDerWaalsContact OD1-N 3.13Å
573	P	90.3	Very high	87.6	Confident	108 Å²	108	81.1 Å²	81.1	70%	0.701	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	130	177	29.6	-34	0	0	0	111.8
574	I	90.3	Very high	87.5	Confident	26 Å²	26	83.2 Å²	83.2	13%	0.133	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-68.3	130	177.9	-61.3	168.3	0	0	0	109.1	G561 W563 V576 I732 V735	G561-I574 PolarHBondContact O-N 3.35Å; W563-I574 HydrophobicContact CB-CD1 4.17Å; W563-I574 HydrophobicContact CB-CG1 3.88Å; I574-V576 PolarHBondContact O-N 3.09Å; I574-I732 VanDerWaalsContact CD1-O 3.29Å; I574-I732 WeakPolarHBondContact CD1-O 3.4Å; I574-V735 HydrophobicContact CB-CG2 3.8Å; I574-V735 HydrophobicContact CD1-CG2 4.4Å; I574-V735 HydrophobicContact CG2-CG2 3.87Å
575	P	89	Confident	87.2	Confident	109 Å²	109	87.1 Å²	87.1	71%	0.708	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-66.2	130.9	-178.9	26.7	-34.8	0	0	0	111.2	E577	P575-E577 PolarHBondContact O-N 3.22Å
576	V	89.3	Confident	87.3	Confident	50 Å²	50	85.1 Å²	85.1	30%	0.303	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-70.2	125.4	-175.7	-59.3	0	0	0	0	112.8	I574 V735 L737	I574-V576 PolarHBondContact O-N 3.09Å; V576-V735 CarbonylContact C-O 3.57Å; V576-V735 WeakPolarHBondContact CA-O 3.38Å; V576-V735 HydrophobicContact CG1-CB 4.31Å; V576-V735 HydrophobicContact CG1-CG1 3.85Å; V576-L737 HydrophobicContact CB-CB 4.28Å; V576-L737 HydrophobicContact CG2-CB 4.34Å; V576-L737 HydrophobicContact CG2-CD2 4.48Å
577	E	86.1	Confident	87.6	Confident	98 Å²	98	80.1 Å²	80.1	46%	0.458	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-78.2	138.5	169.7	-68.9	-173.7	-163.3	0	0	110.1	P575 V735 L737	P575-E577 PolarHBondContact O-N 3.22Å; E577-V735 PolarHBondContact N-O 3.25Å; E577-L737 PolarHBondContact O-N 2.94Å
578	Y	87.1	Confident	88.1	Confident	78 Å²	78	80.3 Å²	80.3	31%	0.306	42%	0.419	S	S	.	.			trans	-156.3	150.4	175.2	64.2	-85.1	0	0	0	108.9	R580 K644	Y578-R580 HydrophobicContact CD2-CG 4.41Å; Y578-R580 HydrophobicContact CE2-CG 4.13Å; Y578-R580 WeakPolarHBondContact O-CG 3.17Å; Y578-R580 PolarHBondContact O-N 2.64Å; Y578-K644 HydrophobicContact CD2-CB 3.99Å; Y578-K644 HydrophobicContact CD2-CD 4.24Å; Y578-K644 HydrophobicContact CD2-CG 3.77Å; Y578-K644 HydrophobicContact CE1-CD 4.28Å; Y578-K644 HydrophobicContact CE2-CB 3.96Å; Y578-K644 HydrophobicContact CE2-CD 3.86Å; Y578-K644 HydrophobicContact CE2-CG 3.84Å; Y578-K644 HydrophobicContact CG-CG 4.21Å
579	L	84.4	Confident	88.3	Confident	48 Å²	48	77.8 Å²	77.8	25%	0.251	41%	0.406	S	S	.	.			trans	-60.5	125.1	-178.3	-161.3	67.1	0	0	0	110.8	P586 I642 I805 I806	L579-P586 HydrophobicContact CD1-CG 3.48Å; L579-P586 VanDerWaalsContact CD1-CG 3.48Å; L579-P586 HydrophobicContact CD2-CG 3.91Å; L579-P586 HydrophobicContact CG-CB 4.45Å; L579-P586 HydrophobicContact CG-CG 3.54Å; L579-I642 HydrophobicContact CD2-CG1 4.42Å; L579-I805 HydrophobicContact CD2-CG2 4.1Å; L579-I806 HydrophobicContact CD1-CD1 3.92Å; L579-I806 HydrophobicContact CD1-CG1 4.32Å; L579-I806 HydrophobicContact CD2-CD1 4.47Å; L579-I806 HydrophobicContact CD2-CG1 3.96Å
580	R	85.8	Confident	88.6	Confident	132 Å²	132	73.6 Å²	73.6	50%	0.498	38%	0.38	S	S	.	.			trans	-108.3	144.9	-177.6	-49	-178	176.3	176.4	0.4	110.8	Y578 R582 D583	Y578-R580 HydrophobicContact CD2-CG 4.41Å; Y578-R580 HydrophobicContact CE2-CG 4.13Å; Y578-R580 WeakPolarHBondContact O-CG 3.17Å; Y578-R580 PolarHBondContact O-N 2.64Å; R580-R582 PolarHBondContact O-N 2.82Å; R580-D583 WeakPolarHBondContact CA-OD2 3.29Å; R580-D583 WeakPolarHBondContact CB-OD2 3.04Å; R580-D583 PolarHBondContact N-OD2 2.93Å; R580-D583 WeakPolarHBondContact O-CB 3.29Å; R580-D583 PolarHBondContact O-N 3.17Å
581	W	84.3	Confident	88.9	Confident	119 Å²	119	76.5 Å²	76.5	45%	0.451	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-12	173.7	-62.4	89	0	0	0	115.2	I587 V590 F639 I642 A643	W581-I587 VanDerWaalsContact O-CG1 3.3Å; W581-I587 WeakPolarHBondContact O-CG1 3.37Å; W581-V590 HydrophobicContact CE3-CG2 3.8Å; W581-V590 HydrophobicContact CZ3-CG1 4.39Å; W581-V590 HydrophobicContact CZ3-CG2 3.71Å; W581-F639 HydrophobicContact CH2-CB 3.91Å; W581-F639 AromaticContact CH2-CD1 3.87Å; W581-F639 HydrophobicContact CH2-CD1 3.87Å; W581-F639 HydrophobicContact CH2-CG 4.35Å; W581-F639 WeakPolarHBondContact CH2-O 3.21Å; W581-F639 WeakPolarHBondContact CZ2-O 3.4Å; W581-F639 AromaticContact CZ3-CD1 3.8Å; W581-F639 HydrophobicContact CZ3-CD1 3.8Å; W581-I642 HydrophobicContact CD2-CG2 3.98Å; W581-I642 HydrophobicContact CE3-CG2 4.04Å; W581-I642 HydrophobicContact CG-CG2 4.47Å; W581-I642 HydrophobicContact CZ2-CG2 4.5Å; W581-I642 HydrophobicContact CZ3-CG2 4.33Å; W581-A643 HydrophobicContact CZ2-CB 4.13Å
582	R	83.4	Confident	89	Confident	222 Å²	222	77.4 Å²	77.4	84%	0.838	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-7.2	-178.8	-166.4	167.2	-178.3	157.2	1.4	113.1	R580 I587	R580-R582 PolarHBondContact O-N 2.82Å; R582-I587 WeakPolarHBondContact O-CD1 3.19Å
583	D	88.5	Confident	89.1	Confident	56 Å²	56	73.2 Å²	73.2	30%	0.299	37%	0.371	S	S	.	.	S	Bend	trans	-74.9	147.3	179	-52.6	-25.3	0	0	0	109.2	R580 E585 P586 I587	R580-D583 WeakPolarHBondContact CA-OD2 3.29Å; R580-D583 WeakPolarHBondContact CB-OD2 3.04Å; R580-D583 PolarHBondContact N-OD2 2.93Å; R580-D583 WeakPolarHBondContact O-CB 3.29Å; R580-D583 PolarHBondContact O-N 3.17Å; D583-E585 PolarHBondContact O-N 2.93Å; D583-P586 HydrophobicContact CB-CG 4.06Å; D583-P586 WeakPolarHBondContact O-CD 3.37Å; D583-I587 WeakPolarHBondContact O-CD1 3.38Å; D583-I587 VanDerWaalsContact O-CG1 3.26Å; D583-I587 WeakPolarHBondContact O-CG1 3.39Å; D583-I587 PolarHBondContact O-N 2.74Å
584	P	88.6	Confident	89.4	Confident	109 Å²	109	70.6 Å²	70.6	71%	0.708	35%	0.354	S	S	*	.	H	α-helix	trans	-65.6	-35.4	-168.3	23.5	-33.7	0	0	0	113.8	A588	P584-A588 PolarHBondContact O-N 3.19Å
585	E	86.3	Confident	89.6	Confident	89 Å²	89	74.2 Å²	74.2	42%	0.416	37%	0.373	S	S	.	.	H	α-helix	trans	-74.5	-45.5	-177.3	-26.3	-179.6	128.8	0	0	112.5	D583 I587 A588 A589 I806	D583-E585 PolarHBondContact O-N 2.93Å; E585-I587 PolarHBondContact O-N 3.41Å; E585-A588 PolarHBondContact O-N 3.19Å; E585-A589 PolarHBondContact O-N 2.69Å; E585-I806 HydrophobicContact CB-CD1 4.19Å; E585-I806 WeakPolarHBondContact OE2-CD1 3.28Å
586	P	89.9	Confident	89.9	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.006	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-38.9	170.7	-28	37.7	0	0	0	114.1	L579 D583 A588 A589 V590 I642	L579-P586 HydrophobicContact CD1-CG 3.48Å; L579-P586 VanDerWaalsContact CD1-CG 3.48Å; L579-P586 HydrophobicContact CD2-CG 3.91Å; L579-P586 HydrophobicContact CG-CB 4.45Å; L579-P586 HydrophobicContact CG-CG 3.54Å; D583-P586 HydrophobicContact CB-CG 4.06Å; D583-P586 WeakPolarHBondContact O-CD 3.37Å; P586-A588 VanDerWaalsContact C-N 3.27Å; P586-A588 PolarHBondContact O-N 3.43Å; P586-A589 PolarHBondContact O-N 3.48Å; P586-A589 VanDerWaalsContact O-N 3.1Å; P586-V590 WeakPolarHBondContact O-CG2 3.4Å; P586-V590 PolarHBondContact O-N 3.32Å; P586-I642 HydrophobicContact CB-CD1 4.33Å; P586-I642 HydrophobicContact CB-CG2 3.95Å
587	I	91.4	Very high	90.2	Very high	73 Å²	73	67.9 Å²	67.9	37%	0.374	33%	0.333	S	S	.	.	H	α-helix	trans	-54.8	-45	177.3	-74.8	168.1	0	0	0	110.7	W581 R582 D583 E585 A589 V590 V591	W581-I587 VanDerWaalsContact O-CG1 3.3Å; W581-I587 WeakPolarHBondContact O-CG1 3.37Å; R582-I587 WeakPolarHBondContact O-CD1 3.19Å; D583-I587 WeakPolarHBondContact O-CD1 3.38Å; D583-I587 VanDerWaalsContact O-CG1 3.26Å; D583-I587 WeakPolarHBondContact O-CG1 3.39Å; D583-I587 PolarHBondContact O-N 2.74Å; E585-I587 PolarHBondContact O-N 3.41Å; I587-A589 VanDerWaalsContact C-N 3.33Å; I587-A589 PolarHBondContact O-N 2.62Å; I587-V590 PolarHBondContact O-N 3.07Å; I587-V591 HydrophobicContact CG2-CG2 4.29Å; I587-V591 WeakPolarHBondContact O-CG2 3.18Å; I587-V591 PolarHBondContact O-N 3.29Å
588	A	90.8	Very high	90.6	Very high	51 Å²	51	69.5 Å²	69.5	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-39.6	179	0	0	0	0	0	112.5	P584 E585 P586 F592 F810	P584-A588 PolarHBondContact O-N 3.19Å; E585-A588 PolarHBondContact O-N 3.19Å; P586-A588 VanDerWaalsContact C-N 3.27Å; P586-A588 PolarHBondContact O-N 3.43Å; A588-F592 WeakPolarHBondContact O-CB 3.07Å; A588-F592 PolarHBondContact O-N 3.45Å; A588-F592 VanDerWaalsContact O-N 3.12Å; A588-F810 HydrophobicContact CB-CZ 4.02Å
589	A	90.8	Very high	91	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-67.4	-41.1	175.3	0	0	0	0	0	112.5	E585 P586 I587 F592 A593 I642 C809 F810	E585-A589 PolarHBondContact O-N 2.69Å; P586-A589 PolarHBondContact O-N 3.48Å; P586-A589 VanDerWaalsContact O-N 3.1Å; I587-A589 VanDerWaalsContact C-N 3.33Å; I587-A589 PolarHBondContact O-N 2.62Å; A589-F592 PolarHBondContact O-N 2.76Å; A589-A593 WeakPolarHBondContact O-CB 3.19Å; A589-A593 PolarHBondContact O-N 3.44Å; A589-I642 HydrophobicContact CB-CD1 3.96Å; A589-C809 HydrophobicContact CB-CB 4.24Å; A589-F810 HydrophobicContact CB-CD2 4.42Å; A589-F810 HydrophobicContact CB-CE1 4.21Å; A589-F810 HydrophobicContact CB-CE2 3.94Å; A589-F810 HydrophobicContact CB-CZ 3.82Å
590	V	92.3	Very high	91.5	Very high	24 Å²	24	65.5 Å²	65.5	15%	0.145	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-46.9	177.5	173.1	0	0	0	0	111.3	W581 P586 I587 F592 A593 C594 F639 I642	W581-V590 HydrophobicContact CE3-CG2 3.8Å; W581-V590 HydrophobicContact CZ3-CG1 4.39Å; W581-V590 HydrophobicContact CZ3-CG2 3.71Å; P586-V590 WeakPolarHBondContact O-CG2 3.4Å; P586-V590 PolarHBondContact O-N 3.32Å; I587-V590 PolarHBondContact O-N 3.07Å; V590-F592 VanDerWaalsContact C-N 3.32Å; V590-F592 PolarHBondContact O-N 3.46Å; V590-A593 PolarHBondContact O-N 3.14Å; V590-C594 PolarHBondContact O-N 3.04Å; V590-C594 PolarHBondContact O-SG 3.13Å; V590-C594 VanDerWaalsContact O-SG 3.36Å; V590-F639 HydrophobicContact CG1-CE1 4.02Å; V590-I642 HydrophobicContact CG2-CD1 3.71Å; V590-I642 HydrophobicContact CG2-CG2 4.47Å
591	V	93.8	Very high	91.9	Very high	79 Å²	79	65.1 Å²	65.1	48%	0.479	33%	0.334	S	S	.	.	H	α-helix	trans	-60.9	-42.6	177.4	171.8	0	0	0	0	111	I587 A593 C594 L595	I587-V591 HydrophobicContact CG2-CG2 4.29Å; I587-V591 WeakPolarHBondContact O-CG2 3.18Å; I587-V591 PolarHBondContact O-N 3.29Å; V591-A593 PolarHBondContact O-N 2.99Å; V591-C594 PolarHBondContact O-N 2.89Å; V591-L595 HydrophobicContact CG1-CD1 4.22Å; V591-L595 WeakPolarHBondContact O-CG 3.49Å; V591-L595 PolarHBondContact O-N 2.82Å
592	F	94.2	Very high	92.4	Very high	64 Å²	64	65 Å²	65	28%	0.281	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-39.4	176.2	-172.2	-115.2	0	0	0	112.5	A588 A589 V590 G596 L814 T817	A588-F592 WeakPolarHBondContact O-CB 3.07Å; A588-F592 PolarHBondContact O-N 3.45Å; A588-F592 VanDerWaalsContact O-N 3.12Å; A589-F592 PolarHBondContact O-N 2.76Å; V590-F592 VanDerWaalsContact C-N 3.32Å; V590-F592 PolarHBondContact O-N 3.46Å; F592-G596 PolarHBondContact O-N 3.43Å; F592-L814 HydrophobicContact CZ-CD1 4.41Å; F592-T817 HydrophobicContact CZ-CG2 4.19Å; F592-T817 WeakPolarHBondContact CZ-OG1 3.4Å
593	A	94.7	Very high	92.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.3	-40	175.3	0	0	0	0	0	113	A589 V590 V591 G596 L597 T638 F639	A589-A593 WeakPolarHBondContact O-CB 3.19Å; A589-A593 PolarHBondContact O-N 3.44Å; V590-A593 PolarHBondContact O-N 3.14Å; V591-A593 PolarHBondContact O-N 2.99Å; A593-G596 PolarHBondContact O-N 3.42Å; A593-L597 WeakPolarHBondContact O-CG 3.34Å; A593-L597 PolarHBondContact O-N 3.35Å; A593-T638 HydrophobicContact CB-CG2 4.06Å; A593-T638 WeakPolarHBondContact CB-OG1 3.49Å; A593-F639 HydrophobicContact CB-CE2 3.84Å; A593-F639 HydrophobicContact CB-CZ 4.14Å
594	C	95.4	Very high	92.9	Very high	53 Å²	53	53.5 Å²	53.5	36%	0.358	29%	0.294	S	S	.	.	H	α-helix	trans	-58.9	-47.8	173.6	-72.9	0	0	0	0	111.9	V590 V591 G596 L597 M598	V590-C594 PolarHBondContact O-N 3.04Å; V590-C594 PolarHBondContact O-SG 3.13Å; V590-C594 VanDerWaalsContact O-SG 3.36Å; V591-C594 PolarHBondContact O-N 2.89Å; C594-G596 VanDerWaalsContact C-N 3.32Å; C594-G596 PolarHBondContact O-N 3.29Å; C594-L597 PolarHBondContact O-N 3.44Å; C594-M598 WeakPolarHBondContact O-CG 3.23Å; C594-M598 PolarHBondContact O-N 3.26Å
595	L	95.4	Very high	93.1	Very high	102 Å²	102	51 Å²	51	53%	0.534	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-40.5	175.6	-68.4	171.2	0	0	0	111.6	V591 M598 A599	V591-L595 HydrophobicContact CG1-CD1 4.22Å; V591-L595 WeakPolarHBondContact O-CG 3.49Å; V591-L595 PolarHBondContact O-N 2.82Å; L595-M598 PolarHBondContact O-N 3.09Å; L595-A599 WeakPolarHBondContact O-CB 3.26Å; L595-A599 PolarHBondContact O-N 2.83Å
596	G	95	Very high	93.3	Very high	5 Å²	5	47.3 Å²	47.3	5%	0.052	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-43.5	174.2	0	0	0	0	0	113.7	F592 A593 C594 T600 Y635	F592-G596 PolarHBondContact O-N 3.43Å; A593-G596 PolarHBondContact O-N 3.42Å; C594-G596 VanDerWaalsContact C-N 3.32Å; C594-G596 PolarHBondContact O-N 3.29Å; G596-T600 WeakPolarHBondContact O-CB 3.33Å; G596-T600 PolarHBondContact O-N 3.24Å; G596-T600 PolarHBondContact O-OG1 3.03Å; G596-Y635 VanDerWaalsContact C-CE2 3.49Å; G596-Y635 VanDerWaalsContact CA-CZ 3.45Å; G596-Y635 WeakPolarHBondContact O-CE2 3.4Å
597	L	96.1	Very high	93.2	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-49	174.4	-74.6	172.3	0	0	0	111.7	A593 C594 A599 T600 F601 L636 F639	A593-L597 WeakPolarHBondContact O-CG 3.34Å; A593-L597 PolarHBondContact O-N 3.35Å; C594-L597 PolarHBondContact O-N 3.44Å; L597-A599 VanDerWaalsContact C-N 3.32Å; L597-A599 PolarHBondContact O-N 3.5Å; L597-T600 PolarHBondContact O-N 3.07Å; L597-T600 VanDerWaalsContact O-N 3.08Å; L597-F601 HydrophobicContact CB-CD2 4.38Å; L597-F601 HydrophobicContact CB-CE2 4.16Å; L597-F601 HydrophobicContact CD2-CE2 4.33Å; L597-F601 WeakPolarHBondContact O-CD2 3.5Å; L597-F601 PolarHBondContact O-N 3.28Å; L597-L636 HydrophobicContact CD1-CD2 4.08Å; L597-L636 HydrophobicContact CD2-CD2 4.21Å; L597-L636 HydrophobicContact CD2-CG 4.12Å; L597-F639 HydrophobicContact CD1-CE2 3.74Å; L597-F639 HydrophobicContact CD1-CZ 4.16Å
598	M	95.5	Very high	93	Very high	133 Å²	133	47.4 Å²	47.4	66%	0.655	27%	0.266	S	S	*	.	H	α-helix	trans	-55.7	-46.9	177.1	-71.2	175.2	69.3	0	0	111.7	C594 L595 T600 F601 F602	C594-M598 WeakPolarHBondContact O-CG 3.23Å; C594-M598 PolarHBondContact O-N 3.26Å; L595-M598 PolarHBondContact O-N 3.09Å; M598-T600 PolarHBondContact O-N 2.68Å; M598-F601 PolarHBondContact O-N 3.26Å; M598-F602 WeakPolarHBondContact O-CB 3.32Å; M598-F602 PolarHBondContact O-N 2.84Å
599	A	94.4	Very high	93	Very high	40 Å²	40	53.7 Å²	53.7	33%	0.331	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-39.3	176	0	0	0	0	0	112.4	L595 L597 F602 V603 L820	L595-A599 WeakPolarHBondContact O-CB 3.26Å; L595-A599 PolarHBondContact O-N 2.83Å; L597-A599 VanDerWaalsContact C-N 3.32Å; L597-A599 PolarHBondContact O-N 3.5Å; A599-F602 PolarHBondContact O-N 2.73Å; A599-V603 VanDerWaalsContact O-CG2 3.3Å; A599-V603 WeakPolarHBondContact O-CG2 3.49Å; A599-V603 PolarHBondContact O-N 2.69Å; A599-L820 HydrophobicContact CB-CD2 3.77Å
600	T	94.8	Very high	92.8	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-43.1	178.8	-57.3	0	0	0	0	111.9	G596 L597 M598 T604 L628 I631 C632 Y635	G596-T600 WeakPolarHBondContact O-CB 3.33Å; G596-T600 PolarHBondContact O-N 3.24Å; G596-T600 PolarHBondContact O-OG1 3.03Å; L597-T600 PolarHBondContact O-N 3.07Å; L597-T600 VanDerWaalsContact O-N 3.08Å; M598-T600 PolarHBondContact O-N 2.68Å; T600-T604 VanDerWaalsContact O-CB 3.27Å; T600-T604 WeakPolarHBondContact O-CB 3.43Å; T600-T604 PolarHBondContact O-N 2.77Å; T600-T604 PolarHBondContact O-OG1 3.2Å; T600-L628 HydrophobicContact CG2-CD2 4.45Å; T600-I631 HydrophobicContact CG2-CG2 4.06Å; T600-C632 HydrophobicContact CG2-CB 4.01Å; T600-Y635 WeakPolarHBondContact OG1-CE2 3.35Å
601	F	94.5	Very high	92.3	Very high	124 Å²	124	61.9 Å²	61.9	54%	0.544	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-42.5	174.7	-71.2	-58.1	0	0	0	111.7	L597 M598 T604 A605	L597-F601 HydrophobicContact CB-CD2 4.38Å; L597-F601 HydrophobicContact CB-CE2 4.16Å; L597-F601 HydrophobicContact CD2-CE2 4.33Å; L597-F601 WeakPolarHBondContact O-CD2 3.5Å; L597-F601 PolarHBondContact O-N 3.28Å; M598-F601 PolarHBondContact O-N 3.26Å; F601-T604 PolarHBondContact O-N 3.11Å; F601-A605 WeakPolarHBondContact O-CB 3.19Å; F601-A605 PolarHBondContact O-N 3.11Å
602	F	94.4	Very high	91.7	Very high	116 Å²	116	62.3 Å²	62.3	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-58.3	-51.3	174.8	173.8	-104.5	0	0	0	112.3	M598 A599 T604 A605 V606 V828 L832	M598-F602 WeakPolarHBondContact O-CB 3.32Å; M598-F602 PolarHBondContact O-N 2.84Å; A599-F602 PolarHBondContact O-N 2.73Å; F602-T604 VanDerWaalsContact C-N 3.29Å; F602-T604 PolarHBondContact O-N 2.98Å; F602-A605 PolarHBondContact O-N 3.43Å; F602-V606 HydrophobicContact CE1-CG2 4.49Å; F602-V606 HydrophobicContact CE2-CG2 4.23Å; F602-V606 HydrophobicContact CZ-CG2 4.18Å; F602-V606 WeakPolarHBondContact O-CG2 3.28Å; F602-V606 PolarHBondContact O-N 2.92Å; F602-V828 HydrophobicContact CE1-CG1 4.06Å; F602-L832 HydrophobicContact CZ-CD1 3.95Å
603	V	92.7	Very high	91.2	Very high	6 Å²	6	60.5 Å²	60.5	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-41.8	176.5	170.3	0	0	0	0	111.1	A599 V606 F607 L628 L820 F824 V828	A599-V603 VanDerWaalsContact O-CG2 3.3Å; A599-V603 WeakPolarHBondContact O-CG2 3.49Å; A599-V603 PolarHBondContact O-N 2.69Å; V603-V606 PolarHBondContact O-N 3.28Å; V603-F607 HydrophobicContact CG1-CD2 4.19Å; V603-F607 HydrophobicContact CG1-CE2 4.27Å; V603-F607 VanDerWaalsContact O-CD2 3.31Å; V603-F607 WeakPolarHBondContact O-CD2 3.42Å; V603-F607 PolarHBondContact O-N 3.26Å; V603-L628 HydrophobicContact CG1-CD1 4.41Å; V603-L628 HydrophobicContact CG1-CD2 3.82Å; V603-L820 HydrophobicContact CB-CD1 4.23Å; V603-L820 HydrophobicContact CG1-CD1 4.27Å; V603-L820 HydrophobicContact CG2-CD1 4.05Å; V603-F824 HydrophobicContact CG1-CB 3.74Å; V603-F824 HydrophobicContact CG1-CD1 3.84Å; V603-F824 HydrophobicContact CG1-CG 4.01Å; V603-V828 HydrophobicContact CG1-CG2 4.22Å; V603-V828 HydrophobicContact CG2-CG2 4.21Å
604	T	90.9	Very high	90.3	Very high	31 Å²	31	62 Å²	62	19%	0.19	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-43.8	-179.9	-58.2	0	0	0	0	111.7	T600 F601 F602 V606 F607 I608	T600-T604 VanDerWaalsContact O-CB 3.27Å; T600-T604 WeakPolarHBondContact O-CB 3.43Å; T600-T604 PolarHBondContact O-N 2.77Å; T600-T604 PolarHBondContact O-OG1 3.2Å; F601-T604 PolarHBondContact O-N 3.11Å; F602-T604 VanDerWaalsContact C-N 3.29Å; F602-T604 PolarHBondContact O-N 2.98Å; T604-V606 PolarHBondContact O-N 2.94Å; T604-F607 PolarHBondContact O-N 2.62Å; T604-I608 HydrophobicContact CG2-CD1 3.72Å; T604-I608 HydrophobicContact CG2-CG1 4.36Å; T604-I608 WeakPolarHBondContact O-CB 3.46Å; T604-I608 WeakPolarHBondContact O-CG1 3.1Å; T604-I608 PolarHBondContact O-N 3.3Å
605	A	91	Very high	89.5	Confident	57 Å²	57	59.8 Å²	59.8	47%	0.471	30%	0.299	S	S	.	.	H	α-helix	trans	-60.7	-45.2	176.2	0	0	0	0	0	111.9	F601 F602 F607 I608 Y609	F601-A605 WeakPolarHBondContact O-CB 3.19Å; F601-A605 PolarHBondContact O-N 3.11Å; F602-A605 PolarHBondContact O-N 3.43Å; A605-F607 VanDerWaalsContact C-N 3.34Å; A605-F607 PolarHBondContact O-N 3.3Å; A605-I608 PolarHBondContact O-N 3.3Å; A605-Y609 WeakPolarHBondContact O-CB 3.15Å; A605-Y609 PolarHBondContact O-N 3.18Å
606	V	90.7	Very high	88.7	Confident	12 Å²	12	55 Å²	55	7%	0.073	27%	0.273	C	S	.	.	H	α-helix	trans	-58.7	-43.9	174.7	172.3	0	0	0	0	111.2	F602 V603 T604 F610 V828 I831 L832	F602-V606 HydrophobicContact CE1-CG2 4.49Å; F602-V606 HydrophobicContact CE2-CG2 4.23Å; F602-V606 HydrophobicContact CZ-CG2 4.18Å; F602-V606 WeakPolarHBondContact O-CG2 3.28Å; F602-V606 PolarHBondContact O-N 2.92Å; V603-V606 PolarHBondContact O-N 3.28Å; T604-V606 PolarHBondContact O-N 2.94Å; V606-F610 HydrophobicContact CG1-CD2 4Å; V606-F610 WeakPolarHBondContact O-CB 3.44Å; V606-F610 WeakPolarHBondContact O-CD2 3.43Å; V606-F610 PolarHBondContact O-N 3.03Å; V606-V828 HydrophobicContact CG1-CG1 4.32Å; V606-V828 HydrophobicContact CG1-CG2 4.27Å; V606-I831 HydrophobicContact CG1-CG2 4.06Å; V606-L832 HydrophobicContact CG1-CD2 4.43Å; V606-L832 HydrophobicContact CG1-CG 4.48Å; V606-L832 HydrophobicContact CG2-CD1 4.22Å
607	F	87.8	Confident	87.8	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-68.4	-35.7	178.6	-90.8	-117.5	0	0	0	113.4	V603 T604 A605 R611 V616 C624 Y625 F824 K827 V828 I831	V603-F607 HydrophobicContact CG1-CD2 4.19Å; V603-F607 HydrophobicContact CG1-CE2 4.27Å; V603-F607 VanDerWaalsContact O-CD2 3.31Å; V603-F607 WeakPolarHBondContact O-CD2 3.42Å; V603-F607 PolarHBondContact O-N 3.26Å; T604-F607 PolarHBondContact O-N 2.62Å; A605-F607 VanDerWaalsContact C-N 3.34Å; A605-F607 PolarHBondContact O-N 3.3Å; F607-R611 VanDerWaalsContact O-CA 3.32Å; F607-R611 WeakPolarHBondContact O-CA 3.49Å; F607-R611 PolarHBondContact O-N 2.63Å; F607-V616 HydrophobicContact CD1-CG1 4.14Å; F607-V616 HydrophobicContact CD1-CG2 4.28Å; F607-V616 HydrophobicContact CE1-CG2 4.37Å; F607-C624 HydrophobicContact CE1-CB 4.49Å; F607-Y625 HydrophobicContact CB-CE1 4.3Å; F607-F824 HydrophobicContact CE1-CD1 4.23Å; F607-F824 HydrophobicContact CE1-CE1 4.28Å; F607-F824 HydrophobicContact CE2-CD1 4.06Å; F607-F824 AromaticContact CZ-CD1 3.75Å; F607-F824 HydrophobicContact CZ-CD1 3.75Å; F607-F824 HydrophobicContact CZ-CE1 4.26Å; F607-K827 HydrophobicContact CE2-CB 4.43Å; F607-K827 HydrophobicContact CZ-CB 4.07Å; F607-K827 HydrophobicContact CZ-CD 4.16Å; F607-V828 HydrophobicContact CD2-CG2 4.36Å; F607-V828 HydrophobicContact CE2-CG2 3.91Å; F607-I831 HydrophobicContact CE2-CD1 4.38Å
608	I	88.4	Confident	86.5	Confident	73 Å²	73	61.8 Å²	61.8	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-74.9	-35.8	178.3	-70.5	174.5	0	0	0	111.8	T604 A605 R611 Y625	T604-I608 HydrophobicContact CG2-CD1 3.72Å; T604-I608 HydrophobicContact CG2-CG1 4.36Å; T604-I608 WeakPolarHBondContact O-CB 3.46Å; T604-I608 WeakPolarHBondContact O-CG1 3.1Å; T604-I608 PolarHBondContact O-N 3.3Å; A605-I608 PolarHBondContact O-N 3.3Å; I608-R611 PolarHBondContact O-NE 2.95Å; I608-R611 PolarHBondContact O-NH2 2.86Å; I608-R611 VanDerWaalsContact O-NH2 3.13Å; I608-Y625 HydrophobicContact CG1-CE1 3.84Å
609	Y	89.9	Confident	85.4	Confident	184 Å²	184	55.9 Å²	55.9	72%	0.722	28%	0.279	S	S	*	.	H	α-helix	trans	-73.6	-55.7	176.8	-170.9	-95.1	0	0	0	110.8	A605 R611	A605-Y609 WeakPolarHBondContact O-CB 3.15Å; A605-Y609 PolarHBondContact O-N 3.18Å; Y609-R611 PolarHBondContact O-N 3.32Å
610	F	87.1	Confident	84.6	Confident	72 Å²	72	54.9 Å²	54.9	32%	0.316	27%	0.269	S	S	.	.	S	Bend	trans	-82.6	29.3	-179.6	-65.6	-72.9	0	0	0	113.9	V606 D612 T613 I831 L832	V606-F610 HydrophobicContact CG1-CD2 4Å; V606-F610 WeakPolarHBondContact O-CB 3.44Å; V606-F610 WeakPolarHBondContact O-CD2 3.43Å; V606-F610 PolarHBondContact O-N 3.03Å; F610-D612 PolarHBondContact O-N 3.32Å; F610-T613 HydrophobicContact CB-CG2 3.8Å; F610-T613 HydrophobicContact CD1-CG2 4.11Å; F610-T613 HydrophobicContact CG-CG2 4.4Å; F610-T613 WeakPolarHBondContact O-CB 3.49Å; F610-T613 WeakPolarHBondContact O-CG2 3.42Å; F610-T613 PolarHBondContact O-N 3.49Å; F610-T613 VanDerWaalsContact O-N 3.08Å; F610-T613 PolarHBondContact O-OG1 3.49Å; F610-I831 HydrophobicContact CB-CG2 3.91Å; F610-I831 HydrophobicContact CD1-CG2 4.35Å; F610-I831 HydrophobicContact CD2-CG2 3.64Å; F610-I831 HydrophobicContact CE2-CG2 4.22Å; F610-I831 HydrophobicContact CG-CG2 3.7Å; F610-L832 HydrophobicContact CE2-CD2 3.78Å; F610-L832 HydrophobicContact CZ-CD2 4.38Å
611	R	82.8	Confident	84	Confident	125 Å²	125	58 Å²	58	47%	0.472	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.8	-169.2	66.7	178.9	68.5	173.1	3.5	115.5	F607 I608 Y609 R621	F607-R611 VanDerWaalsContact O-CA 3.32Å; F607-R611 WeakPolarHBondContact O-CA 3.49Å; F607-R611 PolarHBondContact O-N 2.63Å; I608-R611 PolarHBondContact O-NE 2.95Å; I608-R611 PolarHBondContact O-NH2 2.86Å; I608-R611 VanDerWaalsContact O-NH2 3.13Å; Y609-R611 PolarHBondContact O-N 3.32Å; R611-R621 WeakPolarHBondContact O-CD 3.46Å; R611-R621 PolarHBondContact O-NH1 3Å
612	D	81.1	Confident	83.6	Confident	88 Å²	88	56.3 Å²	56.3	47%	0.471	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	1.7	-176.3	-78.1	-60.1	0	0	0	114.7	F610 K617 R621	F610-D612 PolarHBondContact O-N 3.32Å; D612-K617 IonicContact OD1-NZ 2.77Å; D612-K617 PolarHBondContact OD1-NZ 3.41Å; D612-R621 IonicContact OD1-NH1 2.97Å; D612-R621 PolarHBondContact OD1-NH1 3.23Å
613	T	83.3	Confident	83.2	Confident	25 Å²	25	50.9 Å²	50.9	15%	0.153	25%	0.251	C	S	.	.	S	Bend	trans	-59.8	143.9	169.9	59.2	0	0	0	0	111.4	F610 V615 V616 K617 N838	F610-T613 HydrophobicContact CB-CG2 3.8Å; F610-T613 HydrophobicContact CD1-CG2 4.11Å; F610-T613 HydrophobicContact CG-CG2 4.4Å; F610-T613 WeakPolarHBondContact O-CB 3.49Å; F610-T613 WeakPolarHBondContact O-CG2 3.42Å; F610-T613 PolarHBondContact O-N 3.49Å; F610-T613 VanDerWaalsContact O-N 3.08Å; F610-T613 PolarHBondContact O-OG1 3.49Å; T613-V615 PolarHBondContact O-N 3.45Å; T613-V616 PolarHBondContact O-N 3.03Å; T613-V616 VanDerWaalsContact O-N 3.11Å; T613-V616 WeakPolarHBondContact OG1-CG2 3.26Å; T613-K617 VanDerWaalsContact O-CB 3.26Å; T613-K617 WeakPolarHBondContact O-CB 3.25Å; T613-K617 PolarHBondContact O-N 3.2Å; T613-N838 WeakPolarHBondContact CB-ND2 3.32Å; T613-N838 WeakPolarHBondContact CG2-ND2 3.49Å
614	P	75.9	Confident	83	Confident	32 Å²	32	50.7 Å²	50.7	21%	0.208	25%	0.25	C	S	.	.	H	α-helix	trans	-63.8	-26.5	-175.9	24.6	-33.9	0	0	0	113.5	S618 N838	P614-S618 WeakPolarHBondContact O-CB 3.37Å; P614-S618 PolarHBondContact O-N 2.93Å; P614-S618 PolarHBondContact O-OG 3.36Å; P614-N838 WeakPolarHBondContact CD-O 3.24Å; P614-N838 VanDerWaalsContact CD-OD1 3.3Å; P614-N838 WeakPolarHBondContact CD-OD1 3.3Å; P614-N838 WeakPolarHBondContact CG-O 3.3Å; P614-N838 WeakPolarHBondContact CG-OD1 3.19Å
615	V	77.7	Confident	83	Confident	6 Å²	6	52.2 Å²	52.2	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-45.9	172.2	171.8	0	0	0	0	111.6	T613 S618 S619 K827 I830 I831 N838 F843	T613-V615 PolarHBondContact O-N 3.45Å; V615-S618 PolarHBondContact O-OG 3.05Å; V615-S619 PolarHBondContact O-N 3.01Å; V615-S619 PolarHBondContact O-OG 3.36Å; V615-K827 HydrophobicContact CG1-CB 4.46Å; V615-I830 HydrophobicContact CG2-CG2 3.93Å; V615-I831 HydrophobicContact CB-CG1 4.46Å; V615-I831 HydrophobicContact CG1-CD1 4.37Å; V615-I831 HydrophobicContact CG1-CG1 4.3Å; V615-N838 VanDerWaalsContact CG2-OD1 3.24Å; V615-N838 WeakPolarHBondContact CG2-OD1 3.5Å; V615-N838 PolarHBondContact N-OD1 3.38Å; V615-F843 HydrophobicContact CG2-CE2 3.98Å; V615-F843 HydrophobicContact CG2-CZ 3.94Å
616	V	79.8	Confident	83.1	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-73.1	-34.9	177.8	179.1	0	0	0	0	111	F607 T613 S619 R621 I831	F607-V616 HydrophobicContact CD1-CG1 4.14Å; F607-V616 HydrophobicContact CD1-CG2 4.28Å; F607-V616 HydrophobicContact CE1-CG2 4.37Å; T613-V616 PolarHBondContact O-N 3.03Å; T613-V616 VanDerWaalsContact O-N 3.11Å; T613-V616 WeakPolarHBondContact OG1-CG2 3.26Å; V616-S619 WeakPolarHBondContact O-CB 3.47Å; V616-S619 VanDerWaalsContact O-O 3.09Å; V616-R621 HydrophobicContact CG1-CG 3.91Å; V616-R621 WeakPolarHBondContact O-CG 3.24Å; V616-I831 HydrophobicContact CG2-CD1 3.61Å
617	K	74.6	Confident	83.2	Confident	120 Å²	120	50.9 Å²	50.9	52%	0.522	24%	0.237	S	C	.	.	H	α-helix	trans	-82.2	-22.9	-176.2	-160.6	164.5	-171.3	155	0	114.9	D612 T613	D612-K617 IonicContact OD1-NZ 2.77Å; D612-K617 PolarHBondContact OD1-NZ 3.41Å; T613-K617 VanDerWaalsContact O-CB 3.26Å; T613-K617 WeakPolarHBondContact O-CB 3.25Å; T613-K617 PolarHBondContact O-N 3.2Å
618	S	70	Confident	83.4	Confident	50 Å²	50	51 Å²	51	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-79.3	-35.1	169.9	57.8	0	0	0	0	111.8	P614 V615 F843	P614-S618 WeakPolarHBondContact O-CB 3.37Å; P614-S618 PolarHBondContact O-N 2.93Å; P614-S618 PolarHBondContact O-OG 3.36Å; V615-S618 PolarHBondContact O-OG 3.05Å; S618-F843 WeakPolarHBondContact OG-CE1 3.12Å
619	S	71.6	Confident	83.7	Confident	8 Å²	8	49.8 Å²	49.8	6%	0.056	24%	0.238	C	C	.	.	S	Bend	trans	-59.7	145.9	164.1	-53.3	0	0	0	0	110.4	V615 V616 R621 K827	V615-S619 PolarHBondContact O-N 3.01Å; V615-S619 PolarHBondContact O-OG 3.36Å; V616-S619 WeakPolarHBondContact O-CB 3.47Å; V616-S619 VanDerWaalsContact O-O 3.09Å; S619-R621 VanDerWaalsContact C-N 3.33Å; S619-R621 PolarHBondContact O-N 2.81Å; S619-K827 PolarHBondContact OG-NZ 3.09Å
620	S	76.9	Confident	83.9	Confident	19 Å²	19	41 Å²	41	13%	0.133	20%	0.204	C	C	.	.			trans	-71.1	88.2	169.7	-67.9	0	0	0	0	109.4	E622 L623 C624 R674 Q699	S620-E622 VanDerWaalsContact C-N 3.3Å; S620-E622 PolarHBondContact O-N 2.96Å; S620-L623 PolarHBondContact O-N 3.37Å; S620-C624 PolarHBondContact O-N 3.4Å; S620-R674 PolarHBondContact OG-NH1 2.84Å; S620-Q699 PolarHBondContact OG-OE1 2.8Å; S620-Q699 VanDerWaalsContact OG-OE1 3.13Å
621	R	81.9	Confident	84.2	Confident	68 Å²	68	37.7 Å²	37.7	26%	0.257	19%	0.189	S	C	.	.	H	α-helix	trans	-42.9	-53.7	-176.6	-65.8	-163.8	-59.8	-158.4	5.1	112.7	R611 D612 V616 S619 L623 C624 Y625	R611-R621 WeakPolarHBondContact O-CD 3.46Å; R611-R621 PolarHBondContact O-NH1 3Å; D612-R621 IonicContact OD1-NH1 2.97Å; D612-R621 PolarHBondContact OD1-NH1 3.23Å; V616-R621 HydrophobicContact CG1-CG 3.91Å; V616-R621 WeakPolarHBondContact O-CG 3.24Å; S619-R621 VanDerWaalsContact C-N 3.33Å; S619-R621 PolarHBondContact O-N 2.81Å; R621-L623 PolarHBondContact O-N 2.9Å; R621-C624 WeakPolarHBondContact O-CA 3.23Å; R621-C624 WeakPolarHBondContact O-CB 3.24Å; R621-C624 PolarHBondContact O-N 2.86Å; R621-Y625 HydrophobicContact CB-CE2 4.41Å; R621-Y625 WeakPolarHBondContact O-CD2 3.45Å; R621-Y625 PolarHBondContact O-N 2.91Å
622	E	86.6	Confident	84.8	Confident	88 Å²	88	32.8 Å²	32.8	41%	0.411	17%	0.174	S	C	.	.	H	α-helix	trans	-62.6	-39	-176	-37.5	-40.8	132.2	0	0	113.1	S620 C624 Y625 I626 L700	S620-E622 VanDerWaalsContact C-N 3.3Å; S620-E622 PolarHBondContact O-N 2.96Å; E622-C624 VanDerWaalsContact C-N 3.32Å; E622-C624 PolarHBondContact O-N 2.67Å; E622-Y625 PolarHBondContact O-N 3.18Å; E622-I626 WeakPolarHBondContact O-CG1 3.34Å; E622-I626 PolarHBondContact O-N 2.8Å; E622-I626 VanDerWaalsContact O-N 3.11Å; E622-L700 HydrophobicContact CB-CD1 4.03Å; E622-L700 HydrophobicContact CB-CD2 3.77Å; E622-L700 HydrophobicContact CB-CG 4.25Å; E622-L700 HydrophobicContact CG-CD1 4.18Å
623	L	86.3	Confident	85.4	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-69.3	-30.9	174.3	-63.2	-178.8	0	0	0	111.9	S620 R621 I626 I627 A667 T670 K671 Q699 L700 A703	S620-L623 PolarHBondContact O-N 3.37Å; R621-L623 PolarHBondContact O-N 2.9Å; L623-I626 HydrophobicContact CD2-CD1 4.48Å; L623-I627 WeakPolarHBondContact O-CD1 3.23Å; L623-I627 VanDerWaalsContact O-CG1 3.27Å; L623-I627 WeakPolarHBondContact O-CG1 3.3Å; L623-I627 PolarHBondContact O-N 2.89Å; L623-I627 VanDerWaalsContact O-N 3.15Å; L623-A667 HydrophobicContact CD2-CB 4.43Å; L623-T670 HydrophobicContact CD1-CG2 3.99Å; L623-T670 HydrophobicContact CD2-CG2 4.28Å; L623-K671 HydrophobicContact CD1-CB 4.16Å; L623-Q699 HydrophobicContact CD1-CB 4.36Å; L623-L700 HydrophobicContact CD2-CD2 4.32Å; L623-A703 HydrophobicContact CD2-CB 4.02Å
624	C	89.1	Confident	85.8	Confident	2 Å²	2	30 Å²	30	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-69.5	-37.4	174.9	-72.1	0	0	0	0	111.8	F607 S620 R621 E622 I627 L628 F824	F607-C624 HydrophobicContact CE1-CB 4.49Å; S620-C624 PolarHBondContact O-N 3.4Å; R621-C624 WeakPolarHBondContact O-CA 3.23Å; R621-C624 WeakPolarHBondContact O-CB 3.24Å; R621-C624 PolarHBondContact O-N 2.86Å; E622-C624 VanDerWaalsContact C-N 3.32Å; E622-C624 PolarHBondContact O-N 2.67Å; C624-I627 PolarHBondContact O-N 2.81Å; C624-L628 WeakPolarHBondContact O-CG 3.3Å; C624-L628 PolarHBondContact O-N 3.45Å; C624-F824 HydrophobicContact CB-CE1 4.19Å
625	Y	90.9	Very high	86.7	Confident	63 Å²	63	28.5 Å²	28.5	25%	0.247	15%	0.148	C	C	.	.	H	α-helix	trans	-66.4	-39.3	172.7	-65.5	-49.2	0	0	0	112.6	F607 I608 R621 E622 I627 L628 A629	F607-Y625 HydrophobicContact CB-CE1 4.3Å; I608-Y625 HydrophobicContact CG1-CE1 3.84Å; R621-Y625 HydrophobicContact CB-CE2 4.41Å; R621-Y625 WeakPolarHBondContact O-CD2 3.45Å; R621-Y625 PolarHBondContact O-N 2.91Å; E622-Y625 PolarHBondContact O-N 3.18Å; Y625-I627 VanDerWaalsContact C-N 3.3Å; Y625-I627 PolarHBondContact O-N 2.97Å; Y625-L628 PolarHBondContact O-N 3.42Å; Y625-A629 WeakPolarHBondContact O-CB 3.09Å; Y625-A629 PolarHBondContact O-N 3.26Å
626	I	92.8	Very high	87.5	Confident	39 Å²	39	32.3 Å²	32.3	20%	0.2	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-38.9	174.1	-65.7	166.5	0	0	0	111.4	E622 L623 A629 G630 A667 L700 I707	E622-I626 WeakPolarHBondContact O-CG1 3.34Å; E622-I626 PolarHBondContact O-N 2.8Å; E622-I626 VanDerWaalsContact O-N 3.11Å; L623-I626 HydrophobicContact CD2-CD1 4.48Å; I626-A629 PolarHBondContact O-N 2.85Å; I626-G630 PolarHBondContact O-N 3.03Å; I626-A667 HydrophobicContact CB-CB 4.13Å; I626-A667 HydrophobicContact CG2-CB 3.82Å; I626-L700 HydrophobicContact CD1-CD2 3.59Å; I626-I707 HydrophobicContact CG2-CD1 4.05Å
627	I	92.6	Very high	88	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-66.6	-44.5	175.4	-65.4	164.5	0	0	0	111.1	L623 C624 Y625 A629 G630 I631 A667 L668 M823 F824	L623-I627 WeakPolarHBondContact O-CD1 3.23Å; L623-I627 VanDerWaalsContact O-CG1 3.27Å; L623-I627 WeakPolarHBondContact O-CG1 3.3Å; L623-I627 PolarHBondContact O-N 2.89Å; L623-I627 VanDerWaalsContact O-N 3.15Å; C624-I627 PolarHBondContact O-N 2.81Å; Y625-I627 VanDerWaalsContact C-N 3.3Å; Y625-I627 PolarHBondContact O-N 2.97Å; I627-A629 VanDerWaalsContact C-N 3.34Å; I627-A629 PolarHBondContact O-N 2.91Å; I627-G630 PolarHBondContact O-N 3.02Å; I627-I631 HydrophobicContact CG2-CD1 3.79Å; I627-I631 HydrophobicContact CG2-CG1 4.42Å; I627-I631 WeakPolarHBondContact O-CB 3.42Å; I627-I631 VanDerWaalsContact O-CG1 3.3Å; I627-I631 WeakPolarHBondContact O-CG1 3.34Å; I627-I631 PolarHBondContact O-N 3.09Å; I627-A667 HydrophobicContact CD1-CB 4.07Å; I627-A667 HydrophobicContact CG1-CB 3.55Å; I627-L668 HydrophobicContact CD1-CB 4.47Å; I627-M823 HydrophobicContact CD1-CE 4.11Å; I627-M823 HydrophobicContact CG2-CE 4.25Å; I627-F824 HydrophobicContact CB-CZ 4.19Å; I627-F824 HydrophobicContact CG2-CE2 3.74Å; I627-F824 HydrophobicContact CG2-CZ 3.87Å
628	L	92.7	Very high	88.8	Confident	5 Å²	5	27 Å²	27	3%	0.026	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-36.6	177.4	-71.4	167.1	0	0	0	112.2	T600 V603 C624 Y625 I631 C632 L820 F824	T600-L628 HydrophobicContact CG2-CD2 4.45Å; V603-L628 HydrophobicContact CG1-CD1 4.41Å; V603-L628 HydrophobicContact CG1-CD2 3.82Å; C624-L628 WeakPolarHBondContact O-CG 3.3Å; C624-L628 PolarHBondContact O-N 3.45Å; Y625-L628 PolarHBondContact O-N 3.42Å; L628-I631 PolarHBondContact O-N 3.03Å; L628-C632 VanDerWaalsContact O-CB 3.28Å; L628-C632 WeakPolarHBondContact O-CB 3.37Å; L628-C632 PolarHBondContact O-N 3.27Å; L628-L820 HydrophobicContact CD2-CD1 3.95Å; L628-F824 HydrophobicContact CD1-CD1 4.38Å; L628-F824 HydrophobicContact CD1-CE1 3.84Å; L628-F824 HydrophobicContact CD1-CZ 4.4Å; L628-F824 HydrophobicContact CD2-CD1 4.11Å; L628-F824 HydrophobicContact CD2-CD2 4.44Å; L628-F824 HydrophobicContact CD2-CE1 3.9Å; L628-F824 HydrophobicContact CD2-CE2 4.24Å; L628-F824 HydrophobicContact CD2-CG 4.38Å; L628-F824 HydrophobicContact CD2-CZ 3.96Å; L628-F824 HydrophobicContact CG-CD1 4.39Å; L628-F824 HydrophobicContact CG-CE1 3.73Å; L628-F824 HydrophobicContact CG-CZ 3.8Å
629	A	93.8	Very high	89.9	Confident	47 Å²	47	27.2 Å²	27.2	39%	0.388	14%	0.141	S	C	.	.	H	α-helix	trans	-64.9	-43.3	172.6	0	0	0	0	0	112.1	Y625 I626 I627 C632 L633 M663	Y625-A629 WeakPolarHBondContact O-CB 3.09Å; Y625-A629 PolarHBondContact O-N 3.26Å; I626-A629 PolarHBondContact O-N 2.85Å; I627-A629 VanDerWaalsContact C-N 3.34Å; I627-A629 PolarHBondContact O-N 2.91Å; A629-C632 PolarHBondContact O-N 3.4Å; A629-L633 WeakPolarHBondContact O-CB 3.32Å; A629-L633 PolarHBondContact O-N 2.95Å; A629-M663 HydrophobicContact CB-CE 4.17Å
630	G	93.9	Very high	90.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-42	174.2	0	0	0	0	0	113.5	I626 I627 G634 S660	I626-G630 PolarHBondContact O-N 3.03Å; I627-G630 PolarHBondContact O-N 3.02Å; G630-G634 PolarHBondContact O-N 3.08Å; G630-S660 WeakPolarHBondContact O-CB 3.37Å; G630-S660 PolarHBondContact O-OG 2.91Å
631	I	94.7	Very high	91.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-48.5	174.3	-72.5	169.6	0	0	0	110.8	T600 I627 L628 L633 G634 Y635 A816 A819 L820 F824	T600-I631 HydrophobicContact CG2-CG2 4.06Å; I627-I631 HydrophobicContact CG2-CD1 3.79Å; I627-I631 HydrophobicContact CG2-CG1 4.42Å; I627-I631 WeakPolarHBondContact O-CB 3.42Å; I627-I631 VanDerWaalsContact O-CG1 3.3Å; I627-I631 WeakPolarHBondContact O-CG1 3.34Å; I627-I631 PolarHBondContact O-N 3.09Å; L628-I631 PolarHBondContact O-N 3.03Å; I631-L633 PolarHBondContact O-N 2.86Å; I631-G634 PolarHBondContact O-N 3.47Å; I631-G634 VanDerWaalsContact O-N 3.1Å; I631-Y635 HydrophobicContact CG2-CD2 4.06Å; I631-Y635 HydrophobicContact CG2-CE2 3.56Å; I631-Y635 WeakPolarHBondContact O-CD2 3.31Å; I631-Y635 PolarHBondContact O-N 3.29Å; I631-Y635 VanDerWaalsContact O-N 3.16Å; I631-A816 HydrophobicContact CG2-CB 4.32Å; I631-A819 HydrophobicContact CD1-CB 3.93Å; I631-A819 HydrophobicContact CG1-CB 4.36Å; I631-L820 HydrophobicContact CD1-CB 4.34Å; I631-F824 HydrophobicContact CD1-CE2 4.25Å
632	C	95	Very high	91.7	Very high	23 Å²	23	24.4 Å²	24.4	16%	0.155	13%	0.13	C	C	.	.	H	α-helix	trans	-58.5	-48.3	177.7	-173.2	0	0	0	0	111.4	T600 L628 A629 G634 Y635 L636	T600-C632 HydrophobicContact CG2-CB 4.01Å; L628-C632 VanDerWaalsContact O-CB 3.28Å; L628-C632 WeakPolarHBondContact O-CB 3.37Å; L628-C632 PolarHBondContact O-N 3.27Å; A629-C632 PolarHBondContact O-N 3.4Å; C632-G634 VanDerWaalsContact C-N 3.27Å; C632-G634 PolarHBondContact O-N 3.47Å; C632-Y635 PolarHBondContact O-N 3.19Å; C632-L636 WeakPolarHBondContact O-CG 3.26Å; C632-L636 PolarHBondContact O-N 3.16Å
633	L	92.8	Very high	91.9	Very high	54 Å²	54	20.6 Å²	20.6	28%	0.283	11%	0.114	S	C	.	.	H	α-helix	trans	-57.1	-41.6	174.4	-176.9	62.5	0	0	0	111.3	A629 I631 Y635 L636 C637 L659 M663	A629-L633 WeakPolarHBondContact O-CB 3.32Å; A629-L633 PolarHBondContact O-N 2.95Å; I631-L633 PolarHBondContact O-N 2.86Å; L633-Y635 PolarHBondContact O-N 3.28Å; L633-L636 PolarHBondContact O-N 3.01Å; L633-L636 VanDerWaalsContact O-N 3.16Å; L633-C637 PolarHBondContact O-N 2.98Å; L633-C637 PolarHBondContact O-SG 3.27Å; L633-L659 HydrophobicContact CD2-CD2 4.48Å; L633-M663 HydrophobicContact CD2-SD 3.98Å
634	G	92.9	Very high	92	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-41.5	179.3	0	0	0	0	0	113.7	G630 I631 C632 C637 S660	G630-G634 PolarHBondContact O-N 3.08Å; I631-G634 PolarHBondContact O-N 3.47Å; I631-G634 VanDerWaalsContact O-N 3.1Å; C632-G634 VanDerWaalsContact C-N 3.27Å; C632-G634 PolarHBondContact O-N 3.47Å; G634-C637 WeakPolarHBondContact O-CB 3.43Å; G634-S660 WeakPolarHBondContact CA-OG 3.49Å; G634-S660 PolarHBondContact N-OG 3.25Å; G634-S660 VanDerWaalsContact N-OG 3.16Å
635	Y	95	Very high	92	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-71.6	-39.3	173.1	-63.1	-61.9	0	0	0	112.3	G596 T600 I631 C632 L633 C637 T638 F639 A816 T817	G596-Y635 VanDerWaalsContact C-CE2 3.49Å; G596-Y635 VanDerWaalsContact CA-CZ 3.45Å; G596-Y635 WeakPolarHBondContact O-CE2 3.4Å; T600-Y635 WeakPolarHBondContact OG1-CE2 3.35Å; I631-Y635 HydrophobicContact CG2-CD2 4.06Å; I631-Y635 HydrophobicContact CG2-CE2 3.56Å; I631-Y635 WeakPolarHBondContact O-CD2 3.31Å; I631-Y635 PolarHBondContact O-N 3.29Å; I631-Y635 VanDerWaalsContact O-N 3.16Å; C632-Y635 PolarHBondContact O-N 3.19Å; L633-Y635 PolarHBondContact O-N 3.28Å; Y635-C637 PolarHBondContact O-N 3.29Å; Y635-T638 PolarHBondContact O-N 3.09Å; Y635-T638 PolarHBondContact O-OG1 3.28Å; Y635-F639 WeakPolarHBondContact O-CD2 3.28Å; Y635-A816 HydrophobicContact CE1-CB 4.01Å; Y635-A816 HydrophobicContact CE2-CB 4.12Å; Y635-T817 WeakPolarHBondContact OH-CA 3.16Å; Y635-T817 WeakPolarHBondContact OH-CB 3.41Å; Y635-T817 PolarHBondContact OH-N 3.42Å; Y635-T817 VanDerWaalsContact OH-N 3.12Å; Y635-T817 PolarHBondContact OH-OG1 3.48Å
636	L	93	Very high	92	Very high	86 Å²	86	27.9 Å²	27.9	45%	0.45	15%	0.151	S	C	.	.	H	α-helix	trans	-60.5	-29.7	175.2	-70.1	172.3	0	0	0	112.9	L597 C632 L633 T638 F639	L597-L636 HydrophobicContact CD1-CD2 4.08Å; L597-L636 HydrophobicContact CD2-CD2 4.21Å; L597-L636 HydrophobicContact CD2-CG 4.12Å; C632-L636 WeakPolarHBondContact O-CG 3.26Å; C632-L636 PolarHBondContact O-N 3.16Å; L633-L636 PolarHBondContact O-N 3.01Å; L633-L636 VanDerWaalsContact O-N 3.16Å; L636-T638 VanDerWaalsContact C-N 3.3Å; L636-T638 PolarHBondContact O-N 3.35Å; L636-F639 PolarHBondContact O-N 2.84Å
637	C	91.7	Very high	91.8	Very high	8 Å²	8	29.3 Å²	29.3	5%	0.054	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-35.3	176.9	-66.7	0	0	0	0	112.7	L633 G634 Y635 F639 S640 L641 G656	L633-C637 PolarHBondContact O-N 2.98Å; L633-C637 PolarHBondContact O-SG 3.27Å; G634-C637 WeakPolarHBondContact O-CB 3.43Å; Y635-C637 PolarHBondContact O-N 3.29Å; C637-F639 VanDerWaalsContact C-N 3.27Å; C637-F639 PolarHBondContact O-N 2.96Å; C637-S640 CarbonylContact O-C 3.08Å; C637-S640 WeakPolarHBondContact O-CA 3.28Å; C637-S640 WeakPolarHBondContact O-CB 3.36Å; C637-S640 PolarHBondContact O-N 3.06Å; C637-L641 HydrophobicContact CB-CD1 4.24Å; C637-L641 WeakPolarHBondContact O-CD1 3.42Å; C637-L641 PolarHBondContact O-N 3.18Å; C637-G656 WeakPolarHBondContact SG-CA 3.46Å
638	T	91.5	Very high	91.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-56.7	-41.6	-177.9	63.5	0	0	0	0	112.5	A593 Y635 L636 S640 L641 I642 C809 S813	A593-T638 HydrophobicContact CB-CG2 4.06Å; A593-T638 WeakPolarHBondContact CB-OG1 3.49Å; Y635-T638 PolarHBondContact O-N 3.09Å; Y635-T638 PolarHBondContact O-OG1 3.28Å; L636-T638 VanDerWaalsContact C-N 3.3Å; L636-T638 PolarHBondContact O-N 3.35Å; T638-S640 VanDerWaalsContact C-N 3.28Å; T638-S640 PolarHBondContact O-N 3.34Å; T638-L641 PolarHBondContact O-N 3.16Å; T638-L641 VanDerWaalsContact O-N 3.11Å; T638-I642 WeakPolarHBondContact O-CG1 3.44Å; T638-I642 PolarHBondContact O-N 3.48Å; T638-C809 HydrophobicContact CG2-CB 4.43Å; T638-S813 WeakPolarHBondContact CG2-OG 3.2Å
639	F	91.5	Very high	91.6	Very high	54 Å²	54	37 Å²	37	24%	0.237	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-34.7	176.1	-60	-92.7	0	0	0	112	W581 V590 A593 L597 Y635 L636 C637 A643	W581-F639 HydrophobicContact CH2-CB 3.91Å; W581-F639 AromaticContact CH2-CD1 3.87Å; W581-F639 HydrophobicContact CH2-CD1 3.87Å; W581-F639 HydrophobicContact CH2-CG 4.35Å; W581-F639 WeakPolarHBondContact CH2-O 3.21Å; W581-F639 WeakPolarHBondContact CZ2-O 3.4Å; W581-F639 AromaticContact CZ3-CD1 3.8Å; W581-F639 HydrophobicContact CZ3-CD1 3.8Å; V590-F639 HydrophobicContact CG1-CE1 4.02Å; A593-F639 HydrophobicContact CB-CE2 3.84Å; A593-F639 HydrophobicContact CB-CZ 4.14Å; L597-F639 HydrophobicContact CD1-CE2 3.74Å; L597-F639 HydrophobicContact CD1-CZ 4.16Å; Y635-F639 WeakPolarHBondContact O-CD2 3.28Å; L636-F639 PolarHBondContact O-N 2.84Å; C637-F639 VanDerWaalsContact C-N 3.27Å; C637-F639 PolarHBondContact O-N 2.96Å; F639-A643 WeakPolarHBondContact O-CB 3.43Å; F639-A643 PolarHBondContact O-N 2.68Å
640	S	89.9	Confident	91.5	Very high	23 Å²	23	34.8 Å²	34.8	16%	0.161	18%	0.181	C	C	.	.	H	α-helix	trans	-75.5	-28.6	174.8	-59.7	0	0	0	0	112.8	C637 T638 Q653	C637-S640 CarbonylContact O-C 3.08Å; C637-S640 WeakPolarHBondContact O-CA 3.28Å; C637-S640 WeakPolarHBondContact O-CB 3.36Å; C637-S640 PolarHBondContact O-N 3.06Å; T638-S640 VanDerWaalsContact C-N 3.28Å; T638-S640 PolarHBondContact O-N 3.34Å; S640-Q653 VanDerWaalsContact O-CG 3.26Å; S640-Q653 WeakPolarHBondContact O-CG 3.37Å; S640-Q653 PolarHBondContact O-NE2 3.05Å
641	L	88.7	Confident	91.4	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-74.8	-35.5	175.6	-88.6	73.9	0	0	0	112.7	C637 T638 Q653 I657 I805 M808 C809	C637-L641 HydrophobicContact CB-CD1 4.24Å; C637-L641 WeakPolarHBondContact O-CD1 3.42Å; C637-L641 PolarHBondContact O-N 3.18Å; T638-L641 PolarHBondContact O-N 3.16Å; T638-L641 VanDerWaalsContact O-N 3.11Å; L641-Q653 HydrophobicContact CB-CG 4.47Å; L641-Q653 HydrophobicContact CD1-CB 4.2Å; L641-Q653 HydrophobicContact CD1-CG 3.87Å; L641-Q653 HydrophobicContact CG-CG 4Å; L641-I657 HydrophobicContact CD1-CD1 4.39Å; L641-I657 HydrophobicContact CD1-CG1 4.19Å; L641-I657 HydrophobicContact CD2-CG1 4.48Å; L641-I805 HydrophobicContact CB-CG2 4.11Å; L641-I805 VanDerWaalsContact O-CG2 3.23Å; L641-I805 WeakPolarHBondContact O-CG2 3.39Å; L641-M808 HydrophobicContact CD2-CB 4.07Å; L641-M808 HydrophobicContact CD2-CE 3.83Å; L641-M808 HydrophobicContact CD2-CG 3.87Å; L641-C809 WeakPolarHBondContact CB-SG 3.25Å
642	I	91	Very high	91.1	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-88.8	-16.4	-178.1	-64.5	169.6	0	0	0	112.4	L579 W581 P586 A589 V590 T638	L579-I642 HydrophobicContact CD2-CG1 4.42Å; W581-I642 HydrophobicContact CD2-CG2 3.98Å; W581-I642 HydrophobicContact CE3-CG2 4.04Å; W581-I642 HydrophobicContact CG-CG2 4.47Å; W581-I642 HydrophobicContact CZ2-CG2 4.5Å; W581-I642 HydrophobicContact CZ3-CG2 4.33Å; P586-I642 HydrophobicContact CB-CD1 4.33Å; P586-I642 HydrophobicContact CB-CG2 3.95Å; A589-I642 HydrophobicContact CB-CD1 3.96Å; V590-I642 HydrophobicContact CG2-CD1 3.71Å; V590-I642 HydrophobicContact CG2-CG2 4.47Å; T638-I642 WeakPolarHBondContact O-CG1 3.44Å; T638-I642 PolarHBondContact O-N 3.48Å
643	A	89.3	Confident	90.8	Very high	9 Å²	9	42.2 Å²	42.2	7%	0.074	21%	0.212	C	C	.	.	S	Bend	trans	-59.3	146.3	173.5	0	0	0	0	0	112.6	W581 F639 H649	W581-A643 HydrophobicContact CZ2-CB 4.13Å; F639-A643 WeakPolarHBondContact O-CB 3.43Å; F639-A643 PolarHBondContact O-N 2.68Å; A643-H649 HydrophobicContact CB-CB 4.45Å
644	K	89.7	Confident	90.6	Very high	92 Å²	92	40.8 Å²	40.8	40%	0.4	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-53	128.6	175.3	179.9	177.9	-178.6	179.9	0	109.4	Y578 Q646 H649 L737	Y578-K644 HydrophobicContact CD2-CB 3.99Å; Y578-K644 HydrophobicContact CD2-CD 4.24Å; Y578-K644 HydrophobicContact CD2-CG 3.77Å; Y578-K644 HydrophobicContact CE1-CD 4.28Å; Y578-K644 HydrophobicContact CE2-CB 3.96Å; Y578-K644 HydrophobicContact CE2-CD 3.86Å; Y578-K644 HydrophobicContact CE2-CG 3.84Å; Y578-K644 HydrophobicContact CG-CG 4.21Å; K644-Q646 PolarHBondContact O-N 3.24Å; K644-Q646 VanDerWaalsContact O-N 3.09Å; K644-H649 PolarHBondContact O-CD2 3.26Å; K644-L737 HydrophobicContact CG-CD2 4.43Å
645	P	89.6	Confident	90.5	Very high	22 Å²	22	43.4 Å²	43.4	14%	0.143	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-53.5	117.8	-179	-32.4	39.2	0	0	0	113.2	V725 L737	P645-V725 HydrophobicContact CB-CG1 4.01Å; P645-V725 HydrophobicContact CB-CG2 4.32Å; P645-L737 HydrophobicContact CB-CD2 4.3Å; P645-L737 HydrophobicContact CB-CG 4.26Å
646	Q	89.6	Confident	90.2	Very high	106 Å²	106	43.6 Å²	43.6	50%	0.495	22%	0.218	S	C	.	.			trans	-139.3	155	170.1	-65.9	-174.4	-18	0	0	106.9	K644 I648 H649 C650	K644-Q646 PolarHBondContact O-N 3.24Å; K644-Q646 VanDerWaalsContact O-N 3.09Å; Q646-I648 VanDerWaalsContact C-N 3.26Å; Q646-I648 PolarHBondContact O-N 3.44Å; Q646-I648 VanDerWaalsContact O-N 3.15Å; Q646-H649 WeakPolarHBondContact O-CA 3.39Å; Q646-H649 PolarHBondContact O-N 2.77Å; Q646-C650 PolarHBondContact O-N 3.16Å; Q646-C650 PolarHBondContact O-SG 3.33Å
647	V	90	Very high	90	Very high	69 Å²	69	40.4 Å²	40.4	42%	0.418	20%	0.201	S	C	.	.	H	α-helix	trans	-47.9	-47.9	-178.3	179.9	0	0	0	0	112	H649 C650 Y651	V647-H649 PolarHBondContact O-N 3.12Å; V647-C650 PolarHBondContact O-N 3.17Å; V647-Y651 HydrophobicContact CG1-CD2 3.86Å; V647-Y651 HydrophobicContact CG1-CE2 3.65Å; V647-Y651 VanDerWaalsContact O-CD2 3.29Å; V647-Y651 WeakPolarHBondContact O-CD2 3.35Å; V647-Y651 PolarHBondContact O-N 3.4Å
648	I	90.5	Very high	89.8	Confident	117 Å²	117	40 Å²	40	60%	0.6	20%	0.199	S	C	*	.	H	α-helix	trans	-59.8	-45.7	178.4	-57.9	174.3	0	0	0	111.6	Q646 Y651 L652	Q646-I648 VanDerWaalsContact C-N 3.26Å; Q646-I648 PolarHBondContact O-N 3.44Å; Q646-I648 VanDerWaalsContact O-N 3.15Å; I648-Y651 PolarHBondContact O-N 2.81Å; I648-L652 HydrophobicContact CG2-CD1 4.09Å; I648-L652 WeakPolarHBondContact O-CG 3.48Å; I648-L652 PolarHBondContact O-N 3.1Å
649	H	90.6	Very high	89.9	Confident	51 Å²	51	41 Å²	41	24%	0.236	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-40	177.3	-65.4	-50.5	0	0	0	111.5	A643 K644 Q646 V647 Y651 L652 Q653	A643-H649 HydrophobicContact CB-CB 4.45Å; K644-H649 PolarHBondContact O-CD2 3.26Å; Q646-H649 WeakPolarHBondContact O-CA 3.39Å; Q646-H649 PolarHBondContact O-N 2.77Å; V647-H649 PolarHBondContact O-N 3.12Å; H649-Y651 PolarHBondContact O-N 2.92Å; H649-L652 PolarHBondContact O-N 2.9Å; H649-Q653 WeakPolarHBondContact O-CB 3.39Å; H649-Q653 WeakPolarHBondContact O-CG 3.41Å; H649-Q653 PolarHBondContact O-N 3.18Å
650	C	90.7	Very high	89.9	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.007	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-38.3	176.5	-56.3	0	0	0	0	112.8	Q646 V647 R654 P723 C739	Q646-C650 PolarHBondContact O-N 3.16Å; Q646-C650 PolarHBondContact O-SG 3.33Å; V647-C650 PolarHBondContact O-N 3.17Å; C650-R654 PolarHBondContact O-N 2.73Å; C650-P723 HydrophobicContact CB-CB 3.92Å; C650-C739 WeakPolarHBondContact CA-SG 3.34Å; C650-C739 HydrophobicContact CB-CB 3.67Å; C650-C739 WeakPolarHBondContact CB-SG 3.36Å; C650-C739 WeakPolarHBondContact SG-CB 3.34Å; C650-C739 CovalentContact SG-SG 2.04Å; C650-C739 PolarHBondContact SG-SG 2.79Å
651	Y	90.9	Very high	90	Very high	94 Å²	94	37.9 Å²	37.9	37%	0.369	19%	0.189	S	C	.	.	H	α-helix	trans	-62.3	-49.1	169.9	-85.4	-74.3	0	0	0	112	V647 I648 H649 Q653 R654 L655 F718 P723	V647-Y651 HydrophobicContact CG1-CD2 3.86Å; V647-Y651 HydrophobicContact CG1-CE2 3.65Å; V647-Y651 VanDerWaalsContact O-CD2 3.29Å; V647-Y651 WeakPolarHBondContact O-CD2 3.35Å; V647-Y651 PolarHBondContact O-N 3.4Å; I648-Y651 PolarHBondContact O-N 2.81Å; H649-Y651 PolarHBondContact O-N 2.92Å; Y651-Q653 VanDerWaalsContact C-N 3.34Å; Y651-Q653 PolarHBondContact O-N 3.12Å; Y651-R654 PolarHBondContact O-N 3.45Å; Y651-L655 VanDerWaalsContact O-CB 3.32Å; Y651-L655 WeakPolarHBondContact O-CB 3.44Å; Y651-L655 PolarHBondContact O-N 3.43Å; Y651-F718 HydrophobicContact CD1-CD1 4.13Å; Y651-F718 HydrophobicContact CD1-CD2 4.43Å; Y651-F718 AromaticContact CD1-CE1 3.87Å; Y651-F718 HydrophobicContact CD1-CE1 3.87Å; Y651-F718 HydrophobicContact CD1-CE2 4.19Å; Y651-F718 HydrophobicContact CD1-CG 4.41Å; Y651-F718 AromaticContact CD1-CZ 3.91Å; Y651-F718 HydrophobicContact CD1-CZ 3.91Å; Y651-F718 HydrophobicContact CE1-CD1 4.13Å; Y651-F718 HydrophobicContact CE1-CE1 4.34Å; Y651-F718 HydrophobicContact CE1-CG 4.23Å; Y651-P723 HydrophobicContact CD1-CG 3.41Å; Y651-P723 VanDerWaalsContact CD1-CG 3.41Å; Y651-P723 HydrophobicContact CD2-CG 3.77Å; Y651-P723 VanDerWaalsContact CE1-CD 3.49Å; Y651-P723 HydrophobicContact CE1-CG 3.45Å; Y651-P723 VanDerWaalsContact CE1-CG 3.45Å; Y651-P723 HydrophobicContact CE2-CG 3.8Å; Y651-P723 HydrophobicContact CG-CG 3.57Å
652	L	90.3	Very high	90.2	Very high	75 Å²	75	37.5 Å²	37.5	39%	0.393	19%	0.187	S	C	.	.	H	α-helix	trans	-62.5	-38.3	-179.5	-71.4	171.1	0	0	0	112.5	I648 H649 G656	I648-L652 HydrophobicContact CG2-CD1 4.09Å; I648-L652 WeakPolarHBondContact O-CG 3.48Å; I648-L652 PolarHBondContact O-N 3.1Å; H649-L652 PolarHBondContact O-N 2.9Å; L652-G656 PolarHBondContact O-N 3.5Å
653	Q	88.4	Confident	90.4	Very high	10 Å²	10	39.1 Å²	39.1	5%	0.047	20%	0.195	C	C	.	.	H	α-helix	trans	-58.2	-62.8	173.7	-73.4	173.3	16.8	0	0	111	S640 L641 H649 Y651 L655 G656 I657 C739	S640-Q653 VanDerWaalsContact O-CG 3.26Å; S640-Q653 WeakPolarHBondContact O-CG 3.37Å; S640-Q653 PolarHBondContact O-NE2 3.05Å; L641-Q653 HydrophobicContact CB-CG 4.47Å; L641-Q653 HydrophobicContact CD1-CB 4.2Å; L641-Q653 HydrophobicContact CD1-CG 3.87Å; L641-Q653 HydrophobicContact CG-CG 4Å; H649-Q653 WeakPolarHBondContact O-CB 3.39Å; H649-Q653 WeakPolarHBondContact O-CG 3.41Å; H649-Q653 PolarHBondContact O-N 3.18Å; Y651-Q653 VanDerWaalsContact C-N 3.34Å; Y651-Q653 PolarHBondContact O-N 3.12Å; Q653-L655 VanDerWaalsContact C-N 3.31Å; Q653-L655 PolarHBondContact O-N 3.29Å; Q653-G656 PolarHBondContact O-N 2.83Å; Q653-G656 VanDerWaalsContact O-N 3.14Å; Q653-I657 HydrophobicContact CB-CD1 4.44Å; Q653-I657 WeakPolarHBondContact O-CD1 3.39Å; Q653-I657 VanDerWaalsContact O-CG1 3.22Å; Q653-I657 WeakPolarHBondContact O-CG1 3.36Å; Q653-I657 PolarHBondContact O-N 2.86Å; Q653-C739 PolarHBondContact OE1-SG 2.88Å
654	R	88.4	Confident	90.5	Very high	24 Å²	24	39.3 Å²	39.3	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-42.4	-177.8	-81.8	-169.4	176.5	-145.2	-6.7	112.3	C650 Y651 F718 E721 N740	C650-R654 PolarHBondContact O-N 2.73Å; Y651-R654 PolarHBondContact O-N 3.45Å; R654-F718 HydrophobicContact CB-CE1 3.59Å; R654-F718 HydrophobicContact CB-CZ 3.95Å; R654-F718 HydrophobicContact CG-CE1 4.37Å; R654-E721 IonicContact CZ-OE2 2.74Å; R654-E721 VanDerWaalsContact CZ-OE2 3.24Å; R654-E721 PolarHBondContact NH1-O 2.91Å; R654-E721 IonicContact NH1-OE2 3.24Å; R654-E721 PolarHBondContact NH1-OE2 3.38Å; R654-E721 IonicContact NH2-OE2 2.66Å; R654-E721 PolarHBondContact NH2-OE2 3.47Å; R654-N740 PolarHBondContact NH2-O 2.89Å
655	L	90.6	Very high	90.7	Very high	56 Å²	56	35.3 Å²	35.3	29%	0.293	18%	0.178	S	C	.	.	H	α-helix	trans	-63.1	-48	176.6	-179.6	62.9	0	0	0	111.7	Y651 Q653 L659 L711 I714 F718	Y651-L655 VanDerWaalsContact O-CB 3.32Å; Y651-L655 WeakPolarHBondContact O-CB 3.44Å; Y651-L655 PolarHBondContact O-N 3.43Å; Q653-L655 VanDerWaalsContact C-N 3.31Å; Q653-L655 PolarHBondContact O-N 3.29Å; L655-L659 HydrophobicContact CD1-CD2 4.1Å; L655-L659 WeakPolarHBondContact O-CB 3.45Å; L655-L659 PolarHBondContact O-N 3.19Å; L655-L711 HydrophobicContact CD1-CD1 4.24Å; L655-I714 HydrophobicContact CD1-CD1 4.45Å; L655-I714 HydrophobicContact CD1-CG2 4.08Å; L655-F718 HydrophobicContact CB-CE2 4.47Å; L655-F718 HydrophobicContact CB-CZ 4.19Å
656	G	89.4	Confident	90.8	Very high	4 Å²	4	34.3 Å²	34.3	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-49.1	-174	0	0	0	0	0	114.1	C637 L652 Q653 G658 L659 S660	C637-G656 WeakPolarHBondContact SG-CA 3.46Å; L652-G656 PolarHBondContact O-N 3.5Å; Q653-G656 PolarHBondContact O-N 2.83Å; Q653-G656 VanDerWaalsContact O-N 3.14Å; G656-G658 VanDerWaalsContact C-N 3.27Å; G656-G658 PolarHBondContact O-N 3.38Å; G656-L659 PolarHBondContact O-N 2.7Å; G656-S660 PolarHBondContact O-N 3.3Å; G656-S660 VanDerWaalsContact O-N 3.11Å
657	I	87.7	Confident	90.9	Very high	19 Å²	19	29.2 Å²	29.2	10%	0.097	15%	0.148	C	C	.	.	H	α-helix	trans	-57.7	-41.2	-179.4	-61.2	152.9	0	0	0	110.9	L641 Q653 P661 L750 M808	L641-I657 HydrophobicContact CD1-CD1 4.39Å; L641-I657 HydrophobicContact CD1-CG1 4.19Å; L641-I657 HydrophobicContact CD2-CG1 4.48Å; Q653-I657 HydrophobicContact CB-CD1 4.44Å; Q653-I657 WeakPolarHBondContact O-CD1 3.39Å; Q653-I657 VanDerWaalsContact O-CG1 3.22Å; Q653-I657 WeakPolarHBondContact O-CG1 3.36Å; Q653-I657 PolarHBondContact O-N 2.86Å; I657-P661 VanDerWaalsContact O-CD 3.27Å; I657-P661 WeakPolarHBondContact O-CD 3.23Å; I657-P661 WeakPolarHBondContact O-CG 3.47Å; I657-L750 HydrophobicContact CG2-CD2 4.23Å; I657-M808 HydrophobicContact CD1-CE 3.53Å; I657-M808 HydrophobicContact CD1-CG 4.45Å; I657-M808 HydrophobicContact CD1-SD 3.49Å; I657-M808 WeakPolarHBondContact CD1-SD 3.28Å; I657-M808 HydrophobicContact CG1-CE 4.39Å; I657-M808 HydrophobicContact CG1-CG 4.35Å; I657-M808 HydrophobicContact CG1-SD 3.92Å; I657-M808 HydrophobicContact CG2-SD 4Å
658	G	88.5	Confident	90.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-75.8	-46.1	178.6	0	0	0	0	0	113.5	G656 A662 Q710 N753	G656-G658 VanDerWaalsContact C-N 3.27Å; G656-G658 PolarHBondContact O-N 3.38Å; G658-A662 WeakPolarHBondContact O-CB 3.36Å; G658-Q710 PolarHBondContact O-NE2 3Å; G658-N753 PolarHBondContact O-ND2 3.43Å
659	L	91.9	Very high	90.9	Very high	24 Å²	24	21 Å²	21	13%	0.126	10%	0.103	C	C	.	.	H	α-helix	trans	-83.6	-39.1	-165.6	-170.9	63.2	0	0	0	114.5	L633 L655 G656 A662 M663 I707 I714	L633-L659 HydrophobicContact CD2-CD2 4.48Å; L655-L659 HydrophobicContact CD1-CD2 4.1Å; L655-L659 WeakPolarHBondContact O-CB 3.45Å; L655-L659 PolarHBondContact O-N 3.19Å; G656-L659 PolarHBondContact O-N 2.7Å; L659-A662 PolarHBondContact O-N 3.34Å; L659-M663 HydrophobicContact CD1-CG 4.31Å; L659-M663 HydrophobicContact CG-CG 4.28Å; L659-M663 HydrophobicContact CG-SD 4.09Å; L659-M663 WeakPolarHBondContact O-CG 3.3Å; L659-M663 PolarHBondContact O-N 2.91Å; L659-I707 HydrophobicContact CD1-CG2 4.03Å; L659-I714 HydrophobicContact CB-CD1 4.21Å
660	S	93.2	Very high	90.8	Very high	4 Å²	4	18.7 Å²	18.7	3%	0.028	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-48.7	-178.3	154.4	0	0	0	0	113.7	G630 G634 G656 A662 S664	G630-S660 WeakPolarHBondContact O-CB 3.37Å; G630-S660 PolarHBondContact O-OG 2.91Å; G634-S660 WeakPolarHBondContact CA-OG 3.49Å; G634-S660 PolarHBondContact N-OG 3.25Å; G634-S660 VanDerWaalsContact N-OG 3.16Å; G656-S660 PolarHBondContact O-N 3.3Å; G656-S660 VanDerWaalsContact O-N 3.11Å; S660-A662 VanDerWaalsContact C-N 3.33Å; S660-A662 PolarHBondContact O-N 3.11Å; S660-S664 PolarHBondContact O-N 3.35Å; S660-S664 PolarHBondContact O-OG 3.35Å
661	P	91.3	Very high	90.5	Very high	7 Å²	7	19.2 Å²	19.2	5%	0.045	9%	0.094	C	C	.	.	H	α-helix	trans	-66.4	-37.5	176.1	-17.8	31.7	0	0	0	111.1	I657 M663 S664 Y665 W791	I657-P661 VanDerWaalsContact O-CD 3.27Å; I657-P661 WeakPolarHBondContact O-CD 3.23Å; I657-P661 WeakPolarHBondContact O-CG 3.47Å; P661-M663 PolarHBondContact O-N 3.08Å; P661-S664 PolarHBondContact O-N 2.72Å; P661-Y665 HydrophobicContact CB-CD2 4Å; P661-Y665 HydrophobicContact CB-CE2 3.81Å; P661-Y665 WeakPolarHBondContact O-CB 3.42Å; P661-Y665 WeakPolarHBondContact O-CD2 3.48Å; P661-Y665 PolarHBondContact O-N 3.2Å; P661-W791 HydrophobicContact CB-CZ2 4.32Å; P661-W791 HydrophobicContact CG-CH2 4.36Å; P661-W791 HydrophobicContact CG-CZ2 4.03Å
662	A	93.6	Very high	90.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63	-42.6	178.6	0	0	0	0	0	112.7	G658 L659 S660 S666 Q710 N753 L756	G658-A662 WeakPolarHBondContact O-CB 3.36Å; L659-A662 PolarHBondContact O-N 3.34Å; S660-A662 VanDerWaalsContact C-N 3.33Å; S660-A662 PolarHBondContact O-N 3.11Å; A662-S666 WeakPolarHBondContact O-CB 3.22Å; A662-S666 PolarHBondContact O-N 3.37Å; A662-S666 PolarHBondContact O-OG 3.16Å; A662-Q710 HydrophobicContact CB-CB 3.75Å; A662-Q710 HydrophobicContact CB-CG 3.57Å; A662-N753 WeakPolarHBondContact CA-OD1 2.81Å; A662-N753 WeakPolarHBondContact CB-OD1 3.19Å; A662-N753 PolarHBondContact N-OD1 2.87Å; A662-N753 VanDerWaalsContact N-OD1 3.14Å; A662-L756 HydrophobicContact CB-CD1 4.29Å
663	M	93.3	Very high	89.9	Confident	37 Å²	37	13 Å²	13	18%	0.182	7%	0.068	C	C	.	.	H	α-helix	trans	-59.1	-47.6	173.1	-71.8	175.4	65.7	0	0	111.5	A629 L633 L659 P661 A667 I707	A629-M663 HydrophobicContact CB-CE 4.17Å; L633-M663 HydrophobicContact CD2-SD 3.98Å; L659-M663 HydrophobicContact CD1-CG 4.31Å; L659-M663 HydrophobicContact CG-CG 4.28Å; L659-M663 HydrophobicContact CG-SD 4.09Å; L659-M663 WeakPolarHBondContact O-CG 3.3Å; L659-M663 PolarHBondContact O-N 2.91Å; P661-M663 PolarHBondContact O-N 3.08Å; M663-A667 PolarHBondContact O-N 3.45Å; M663-I707 HydrophobicContact CB-CD1 4.35Å; M663-I707 HydrophobicContact CG-CD1 4.1Å; M663-I707 HydrophobicContact CG-CG1 4.22Å; M663-I707 HydrophobicContact CG-CG2 4.07Å
664	S	92.9	Very high	89.5	Confident	13 Å²	13	16 Å²	16	9%	0.091	8%	0.079	C	C	.	.	H	α-helix	trans	-62.8	-49.5	-178.5	-54.1	0	0	0	0	111.9	S660 P661 L668	S660-S664 PolarHBondContact O-N 3.35Å; S660-S664 PolarHBondContact O-OG 3.35Å; P661-S664 PolarHBondContact O-N 2.72Å; S664-L668 WeakPolarHBondContact O-CB 3.22Å; S664-L668 PolarHBondContact O-N 3.11Å; S664-L668 VanDerWaalsContact O-N 3.16Å
665	Y	92.4	Very high	89.1	Confident	9 Å²	9	16.9 Å²	16.9	4%	0.035	9%	0.085	C	C	.	.	H	α-helix	trans	-78.5	-29.2	-177.9	-61.3	-54.1	0	0	0	113.5	P661 L668 V669 I757 M784 T787 W791 S815	P661-Y665 HydrophobicContact CB-CD2 4Å; P661-Y665 HydrophobicContact CB-CE2 3.81Å; P661-Y665 WeakPolarHBondContact O-CB 3.42Å; P661-Y665 WeakPolarHBondContact O-CD2 3.48Å; P661-Y665 PolarHBondContact O-N 3.2Å; Y665-L668 PolarHBondContact O-N 3.07Å; Y665-V669 WeakPolarHBondContact O-CB 3.25Å; Y665-V669 PolarHBondContact O-N 3.1Å; Y665-I757 HydrophobicContact CD1-CG1 4.24Å; Y665-I757 HydrophobicContact CD2-CD1 4.22Å; Y665-I757 HydrophobicContact CD2-CG1 3.76Å; Y665-I757 HydrophobicContact CE1-CG1 4.04Å; Y665-I757 HydrophobicContact CE2-CD1 3.62Å; Y665-I757 HydrophobicContact CE2-CG1 3.53Å; Y665-I757 HydrophobicContact CG-CG1 4.13Å; Y665-M784 HydrophobicContact CD1-CE 4.44Å; Y665-M784 HydrophobicContact CD1-SD 4.44Å; Y665-M784 HydrophobicContact CE1-CE 4.3Å; Y665-M784 HydrophobicContact CE1-SD 4.42Å; Y665-T787 HydrophobicContact CE1-CG2 4.44Å; Y665-T787 WeakPolarHBondContact OH-CB 3.3Å; Y665-T787 WeakPolarHBondContact OH-CG2 3.17Å; Y665-W791 PolarHBondContact OH-NE1 3.05Å; Y665-S815 PolarHBondContact OH-OG 3.27Å
666	S	93.5	Very high	88.3	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.9	-38.5	175.1	-65.3	0	0	0	0	112.3	A662 V669 T670 L706	A662-S666 WeakPolarHBondContact O-CB 3.22Å; A662-S666 PolarHBondContact O-N 3.37Å; A662-S666 PolarHBondContact O-OG 3.16Å; S666-V669 WeakPolarHBondContact O-CG1 3.28Å; S666-T670 WeakPolarHBondContact O-CB 3.5Å; S666-T670 PolarHBondContact O-N 2.91Å; S666-T670 PolarHBondContact O-OG1 3.39Å; S666-L706 WeakPolarHBondContact OG-CB 3.22Å
667	A	91.6	Very high	87.6	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-71.1	-37.6	171.6	0	0	0	0	0	111.9	L623 I626 I627 M663 T670 K671	L623-A667 HydrophobicContact CD2-CB 4.43Å; I626-A667 HydrophobicContact CB-CB 4.13Å; I626-A667 HydrophobicContact CG2-CB 3.82Å; I627-A667 HydrophobicContact CD1-CB 4.07Å; I627-A667 HydrophobicContact CG1-CB 3.55Å; M663-A667 PolarHBondContact O-N 3.45Å; A667-T670 PolarHBondContact O-N 3.03Å; A667-K671 VanDerWaalsContact O-CB 3.29Å; A667-K671 WeakPolarHBondContact O-CB 3.44Å; A667-K671 PolarHBondContact O-N 3.31Å
668	L	89.4	Confident	86.8	Confident	5 Å²	5	21 Å²	21	3%	0.026	10%	0.102	C	C	.	.	H	α-helix	trans	-71.4	-38.4	179.3	-170.3	51.2	0	0	0	113.5	I627 S664 Y665 T670 K671 T672 I780 M784 M823	I627-L668 HydrophobicContact CD1-CB 4.47Å; S664-L668 WeakPolarHBondContact O-CB 3.22Å; S664-L668 PolarHBondContact O-N 3.11Å; S664-L668 VanDerWaalsContact O-N 3.16Å; Y665-L668 PolarHBondContact O-N 3.07Å; L668-T670 VanDerWaalsContact C-N 3.34Å; L668-K671 HydrophobicContact CD1-CD 4.39Å; L668-K671 PolarHBondContact O-N 2.93Å; L668-T672 HydrophobicContact CD1-CG2 4.49Å; L668-T672 PolarHBondContact O-N 3.22Å; L668-T672 PolarHBondContact O-OG1 3.18Å; L668-I780 HydrophobicContact CD1-CG1 4.43Å; L668-I780 HydrophobicContact CD1-CG2 3.89Å; L668-M784 HydrophobicContact CD2-SD 3.54Å; L668-M784 VanDerWaalsContact CD2-SD 3.54Å; L668-M784 HydrophobicContact CG-SD 4.3Å; L668-M823 HydrophobicContact CD1-CE 3.87Å; L668-M823 HydrophobicContact CD1-SD 3.71Å; L668-M823 HydrophobicContact CD2-CE 4.15Å; L668-M823 HydrophobicContact CD2-SD 4.41Å
669	V	90	Very high	85.7	Confident	9 Å²	9	22.9 Å²	22.9	6%	0.055	11%	0.111	C	C	.	.	H	α-helix	trans	-65.4	-40.3	173.2	81.7	0	0	0	0	110.4	Y665 S666 K671 T672 N673 L706 L756 C760 Y763	Y665-V669 WeakPolarHBondContact O-CB 3.25Å; Y665-V669 PolarHBondContact O-N 3.1Å; S666-V669 WeakPolarHBondContact O-CG1 3.28Å; V669-K671 PolarHBondContact O-N 3.11Å; V669-T672 WeakPolarHBondContact CA-OG1 3.38Å; V669-T672 PolarHBondContact O-N 3.37Å; V669-T672 PolarHBondContact O-OG1 3.48Å; V669-T672 VanDerWaalsContact O-OG1 3.05Å; V669-N673 WeakPolarHBondContact O-CB 3.48Å; V669-N673 PolarHBondContact O-N 2.92Å; V669-L706 HydrophobicContact CG1-CD1 3.6Å; V669-L756 HydrophobicContact CG1-CD2 4.49Å; V669-C760 WeakPolarHBondContact CB-SG 3.3Å; V669-Y763 HydrophobicContact CG2-CD2 3.74Å; V669-Y763 HydrophobicContact CG2-CE2 3.88Å
670	T	88.8	Confident	84.3	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-43.2	175.5	-61.7	0	0	0	0	111.3	L623 S666 A667 L668 R674 Q699 I702 A703	L623-T670 HydrophobicContact CD1-CG2 3.99Å; L623-T670 HydrophobicContact CD2-CG2 4.28Å; S666-T670 WeakPolarHBondContact O-CB 3.5Å; S666-T670 PolarHBondContact O-N 2.91Å; S666-T670 PolarHBondContact O-OG1 3.39Å; A667-T670 PolarHBondContact O-N 3.03Å; L668-T670 VanDerWaalsContact C-N 3.34Å; T670-R674 PolarHBondContact O-N 3.18Å; T670-Q699 HydrophobicContact CG2-CB 3.9Å; T670-Q699 HydrophobicContact CG2-CG 4.42Å; T670-Q699 WeakPolarHBondContact CG2-O 3.5Å; T670-I702 HydrophobicContact CG2-CG2 4.43Å; T670-A703 HydrophobicContact CG2-CB 4.48Å
671	K	84.7	Confident	82.7	Confident	11 Å²	11	25.5 Å²	25.5	5%	0.048	14%	0.14	C	C	.	.	H	α-helix	trans	-66.3	-44.8	178.2	-173.4	-177.2	174.8	-164.7	0	112.7	L623 A667 L668 V669 R674 I675 E776	L623-K671 HydrophobicContact CD1-CB 4.16Å; A667-K671 VanDerWaalsContact O-CB 3.29Å; A667-K671 WeakPolarHBondContact O-CB 3.44Å; A667-K671 PolarHBondContact O-N 3.31Å; L668-K671 HydrophobicContact CD1-CD 4.39Å; L668-K671 PolarHBondContact O-N 2.93Å; V669-K671 PolarHBondContact O-N 3.11Å; K671-R674 WeakPolarHBondContact O-CB 3.35Å; K671-R674 PolarHBondContact O-N 3.48Å; K671-I675 WeakPolarHBondContact O-CG1 3.37Å; K671-I675 PolarHBondContact O-N 2.92Å; K671-E776 WeakPolarHBondContact CE-OE1 3.37Å; K671-E776 IonicContact NZ-OE1 2.85Å; K671-E776 PolarHBondContact NZ-OE1 2.91Å
672	T	85.2	Confident	80.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.4	-40.4	175.5	48.1	0	0	0	0	112.3	L668 V669 R674 I675 A676 A764 I780	L668-T672 HydrophobicContact CD1-CG2 4.49Å; L668-T672 PolarHBondContact O-N 3.22Å; L668-T672 PolarHBondContact O-OG1 3.18Å; V669-T672 WeakPolarHBondContact CA-OG1 3.38Å; V669-T672 PolarHBondContact O-N 3.37Å; V669-T672 PolarHBondContact O-OG1 3.48Å; V669-T672 VanDerWaalsContact O-OG1 3.05Å; T672-R674 PolarHBondContact O-N 2.84Å; T672-I675 PolarHBondContact O-N 2.84Å; T672-I675 VanDerWaalsContact O-N 3.14Å; T672-A676 WeakPolarHBondContact O-CB 3.43Å; T672-A676 PolarHBondContact O-N 2.97Å; T672-A764 HydrophobicContact CG2-CB 4.49Å; T672-I780 HydrophobicContact CG2-CG2 3.47Å; T672-I780 VanDerWaalsContact CG2-CG2 3.47Å
673	N	83.2	Confident	79.1	Confident	39 Å²	39	38.3 Å²	38.3	21%	0.209	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-37.9	175.4	-174.1	-20.2	0	0	0	111.8	V669 I675 A676 R677 Y763	V669-N673 WeakPolarHBondContact O-CB 3.48Å; V669-N673 PolarHBondContact O-N 2.92Å; N673-I675 PolarHBondContact O-N 3.08Å; N673-A676 PolarHBondContact O-N 2.95Å; N673-R677 WeakPolarHBondContact O-CB 3.27Å; N673-R677 WeakPolarHBondContact O-CG 3.28Å; N673-R677 PolarHBondContact O-N 2.95Å; N673-R677 VanDerWaalsContact OD1-CD 3.3Å; N673-R677 WeakPolarHBondContact OD1-CD 3.47Å; N673-R677 WeakPolarHBondContact OD1-CG 3.44Å; N673-R677 PolarHBondContact OD1-NE 3.19Å; N673-Y763 HydrophobicContact CB-CD2 4.29Å; N673-Y763 HydrophobicContact CB-CE2 4.28Å
674	R	80.9	Confident	77	Confident	73 Å²	73	44.1 Å²	44.1	28%	0.275	23%	0.23	S	C	.	.	H	α-helix	trans	-53.8	-52.4	168.7	-179.2	-165.9	173.6	-160.5	-12.3	110.9	S620 T670 K671 T672 R677 I678 M694	S620-R674 PolarHBondContact OG-NH1 2.84Å; T670-R674 PolarHBondContact O-N 3.18Å; K671-R674 WeakPolarHBondContact O-CB 3.35Å; K671-R674 PolarHBondContact O-N 3.48Å; T672-R674 PolarHBondContact O-N 2.84Å; R674-R677 PolarHBondContact O-N 3.44Å; R674-I678 HydrophobicContact CG-CD1 4.04Å; R674-I678 WeakPolarHBondContact O-CG1 3.41Å; R674-I678 PolarHBondContact O-N 3Å; R674-M694 HydrophobicContact CG-SD 4.2Å
675	I	78.1	Confident	74.6	Confident	42 Å²	42	53.3 Å²	53.3	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-48.6	-179.3	-61.4	165.7	0	0	0	110.4	K671 T672 N673 R677 I678 L679 T767 I780	K671-I675 WeakPolarHBondContact O-CG1 3.37Å; K671-I675 PolarHBondContact O-N 2.92Å; T672-I675 PolarHBondContact O-N 2.84Å; T672-I675 VanDerWaalsContact O-N 3.14Å; N673-I675 PolarHBondContact O-N 3.08Å; I675-R677 VanDerWaalsContact C-N 3.31Å; I675-R677 PolarHBondContact O-N 3.15Å; I675-I678 PolarHBondContact O-N 3.41Å; I675-L679 HydrophobicContact CG2-CD1 3.83Å; I675-L679 WeakPolarHBondContact O-CD1 3.5Å; I675-L679 WeakPolarHBondContact O-CG 3.49Å; I675-L679 PolarHBondContact O-N 3.22Å; I675-L679 VanDerWaalsContact O-N 3.1Å; I675-T767 HydrophobicContact CB-CG2 4.06Å; I675-T767 HydrophobicContact CG2-CG2 3.65Å; I675-I780 HydrophobicContact CD1-CD1 4.13Å
676	A	74.1	Confident	72.6	Confident	10 Å²	10	59.9 Å²	59.9	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-38	179.1	0	0	0	0	0	113.1	T672 N673 A680 Y763 T767	T672-A676 WeakPolarHBondContact O-CB 3.43Å; T672-A676 PolarHBondContact O-N 2.97Å; N673-A676 PolarHBondContact O-N 2.95Å; A676-A680 WeakPolarHBondContact O-CB 3.34Å; A676-A680 PolarHBondContact O-N 3.37Å; A676-Y763 HydrophobicContact CB-CD1 4.42Å; A676-T767 HydrophobicContact CB-CG2 3.86Å
677	R	74.6	Confident	70.2	Confident	74 Å²	74	64 Å²	64	28%	0.279	33%	0.33	S	S	.	.	H	α-helix	trans	-74.7	-33.8	176.8	-73.8	-173.5	-67.5	143.5	3.5	113.2	N673 R674 I675 L679 A680 G681 F693 M694	N673-R677 WeakPolarHBondContact O-CB 3.27Å; N673-R677 WeakPolarHBondContact O-CG 3.28Å; N673-R677 PolarHBondContact O-N 2.95Å; N673-R677 VanDerWaalsContact OD1-CD 3.3Å; N673-R677 WeakPolarHBondContact OD1-CD 3.47Å; N673-R677 WeakPolarHBondContact OD1-CG 3.44Å; N673-R677 PolarHBondContact OD1-NE 3.19Å; R674-R677 PolarHBondContact O-N 3.44Å; I675-R677 VanDerWaalsContact C-N 3.31Å; I675-R677 PolarHBondContact O-N 3.15Å; R677-L679 VanDerWaalsContact C-N 3.31Å; R677-L679 PolarHBondContact O-N 2.71Å; R677-A680 PolarHBondContact O-N 2.75Å; R677-G681 PolarHBondContact O-N 2.85Å; R677-F693 PolarHBondContact NH1-O 3.39Å; R677-F693 PolarHBondContact NH2-O 3.19Å; R677-F693 VanDerWaalsContact NH2-O 3.12Å; R677-M694 HydrophobicContact CB-CE 3.4Å; R677-M694 VanDerWaalsContact CB-CE 3.4Å
678	I	71.4	Confident	68.2	Low	83 Å²	83	70.2 Å²	70.2	43%	0.426	37%	0.369	S	S	.	.	H	α-helix	trans	-60.1	-44.1	171.4	-70.5	165	0	0	0	110.2	R674 I675 G681 S682 M694	R674-I678 HydrophobicContact CG-CD1 4.04Å; R674-I678 WeakPolarHBondContact O-CG1 3.41Å; R674-I678 PolarHBondContact O-N 3Å; I675-I678 PolarHBondContact O-N 3.41Å; I678-G681 WeakPolarHBondContact O-CA 3.44Å; I678-G681 PolarHBondContact O-N 2.69Å; I678-S682 PolarHBondContact O-N 3.1Å; I678-M694 HydrophobicContact CG1-CE 3.8Å; I678-M694 HydrophobicContact CG1-SD 4.14Å
679	L	66.6	Low	66.4	Low	38 Å²	38	78.7 Å²	78.7	20%	0.199	41%	0.405	C	S	.	.	H	α-helix	trans	-70.5	-37.2	-179.8	-66	159.6	0	0	0	113.6	I675 R677 G681 S682 K683 T767 V770	I675-L679 HydrophobicContact CG2-CD1 3.83Å; I675-L679 WeakPolarHBondContact O-CD1 3.5Å; I675-L679 WeakPolarHBondContact O-CG 3.49Å; I675-L679 PolarHBondContact O-N 3.22Å; I675-L679 VanDerWaalsContact O-N 3.1Å; R677-L679 VanDerWaalsContact C-N 3.31Å; R677-L679 PolarHBondContact O-N 2.71Å; L679-G681 PolarHBondContact O-N 3.36Å; L679-S682 PolarHBondContact O-N 3.16Å; L679-S682 PolarHBondContact O-OG 2.98Å; L679-K683 PolarHBondContact O-N 3.33Å; L679-T767 HydrophobicContact CD1-CG2 3.96Å; L679-V770 HydrophobicContact CD1-CG1 4.38Å; L679-V770 HydrophobicContact CD1-CG2 3.51Å; L679-V770 HydrophobicContact CD2-CB 4.44Å; L679-V770 HydrophobicContact CD2-CG1 3.73Å; L679-V770 HydrophobicContact CD2-CG2 3.74Å; L679-V770 HydrophobicContact CG-CG2 4.27Å
680	A	62.3	Low	64.5	Low	56 Å²	56	87.8 Å²	87.8	46%	0.463	44%	0.444	S	S	.	.	H	α-helix	trans	-65.3	-29.9	171.5	0	0	0	0	0	112	A676 R677	A676-A680 WeakPolarHBondContact O-CB 3.34Å; A676-A680 PolarHBondContact O-N 3.37Å; R677-A680 PolarHBondContact O-N 2.75Å
681	G	58.7	Low	63	Low	28 Å²	28	91.7 Å²	91.7	29%	0.289	47%	0.47	S	S	.	.	H	α-helix	trans	-68.7	-52.4	170.8	0	0	0	0	0	112.7	R677 I678 L679 K683 K684	R677-G681 PolarHBondContact O-N 2.85Å; I678-G681 WeakPolarHBondContact O-CA 3.44Å; I678-G681 PolarHBondContact O-N 2.69Å; L679-G681 PolarHBondContact O-N 3.36Å; G681-K683 VanDerWaalsContact C-N 3.32Å; G681-K683 PolarHBondContact O-N 3.04Å; G681-K684 PolarHBondContact O-N 3.12Å
682	S	54.6	Low	61.6	Low	89 Å²	89	101.5 Å²	101.5	62%	0.622	51%	0.506	S	S	*	.	H	α-helix	trans	-68.3	-25.6	-174.5	68	0	0	0	0	114.4	I678 L679 K684	I678-S682 PolarHBondContact O-N 3.1Å; L679-S682 PolarHBondContact O-N 3.16Å; L679-S682 PolarHBondContact O-OG 2.98Å; S682-K684 VanDerWaalsContact C-N 3.32Å; S682-K684 PolarHBondContact O-N 3.28Å
683	K	54.9	Low	60.3	Low	186 Å²	186	108.1 Å²	108.1	81%	0.809	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.6	175.3	-74.2	-166.9	173.9	-169.1	0	114.5	L679 G681	L679-K683 PolarHBondContact O-N 3.33Å; G681-K683 VanDerWaalsContact C-N 3.32Å; G681-K683 PolarHBondContact O-N 3.04Å
684	K	49.7	Very low	59.2	Low	159 Å²	159	108.4 Å²	108.4	69%	0.691	54%	0.536	S	S	*	.	S	Bend	trans	-92.4	102.5	169.3	-71.2	-167	174.7	-168.9	0	109.4	G681 S682 I686	G681-K684 PolarHBondContact O-N 3.12Å; S682-K684 VanDerWaalsContact C-N 3.32Å; S682-K684 PolarHBondContact O-N 3.28Å; K684-I686 PolarHBondContact O-N 2.95Å
685	K	42.7	Very low	58.8	Low	206 Å²	206	108.4 Å²	108.4	90%	0.896	55%	0.547	S	S	*	.	S	Bend	trans	-54	132.1	164.1	-71.9	-174.5	176.7	-177.9	0	107.9
686	I	49.4	Very low	58.5	Low	147 Å²	147	109.2 Å²	109.2	75%	0.754	56%	0.56	S	S	*	*			trans	70.1	106.7	-170.3	-51.1	168.1	0	0	0	112.9	K684 T688	K684-I686 PolarHBondContact O-N 2.95Å; I686-T688 HydrophobicContact CG2-CG2 3.78Å
687	C	44.4	Very low	58.7	Low	86 Å²	86	112.8 Å²	112.8	58%	0.581	58%	0.584	S	S	*	*			trans	-125.4	79.2	178.3	-153.2	0	0	0	0	110.7	K689	C687-K689 VanDerWaalsContact C-N 3.31Å; C687-K689 PolarHBondContact O-N 3.46Å
688	T	49.3	Very low	59	Low	132 Å²	132	110.3 Å²	110.3	81%	0.81	58%	0.579	S	S	*	*			trans	-80.3	3.1	-170.8	44.7	0	0	0	0	115.8	I686	I686-T688 HydrophobicContact CG2-CG2 3.78Å
689	K	50.7	Low	59.5	Low	182 Å²	182	106.8 Å²	106.8	79%	0.791	56%	0.56	S	S	*	*	S	Bend	trans	-131.3	130.8	170.8	-83.2	-178.7	174.7	172.6	0	110.5	C687	C687-K689 VanDerWaalsContact C-N 3.31Å; C687-K689 PolarHBondContact O-N 3.46Å
690	K	51.2	Low	60.5	Low	200 Å²	200	107.8 Å²	107.8	87%	0.87	57%	0.566	S	S	*	*			trans	-53	125.7	166.9	-89.5	-179.5	175.1	173.1	0	109.1	R692	K690-R692 PolarHBondContact O-N 3.01Å; K690-R692 VanDerWaalsContact O-N 3.14Å
691	P	56	Low	61.8	Low	85 Å²	85	110.1 Å²	110.1	55%	0.552	57%	0.57	S	S	*	*			trans	-64.6	115.9	175.9	24.6	-32.7	0	0	0	110.2	M694	P691-M694 HydrophobicContact CB-CG 4.2Å; P691-M694 HydrophobicContact CG-CG 3.95Å
692	R	56	Low	63.2	Low	217 Å²	217	111.3 Å²	111.3	82%	0.819	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	156.1	171	-69	-178.4	174.1	174.5	-4	109.7	K690	K690-R692 PolarHBondContact O-N 3.01Å; K690-R692 VanDerWaalsContact O-N 3.14Å
693	F	57.2	Low	64.9	Low	138 Å²	138	107.1 Å²	107.1	61%	0.605	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	34.8	-175.6	-45	-80.8	0	0	0	115.7	R677 A698	R677-F693 PolarHBondContact NH1-O 3.39Å; R677-F693 PolarHBondContact NH2-O 3.19Å; R677-F693 VanDerWaalsContact NH2-O 3.12Å; F693-A698 HydrophobicContact CD1-CB 4.49Å
694	M	60.9	Low	66.6	Low	46 Å²	46	104 Å²	104	23%	0.227	53%	0.526	C	S	.	.			trans	-103.2	-12.6	167.9	-81.1	-66	173.1	0	0	114.6	R674 R677 I678 P691 Q699	R674-M694 HydrophobicContact CG-SD 4.2Å; R677-M694 HydrophobicContact CB-CE 3.4Å; R677-M694 VanDerWaalsContact CB-CE 3.4Å; I678-M694 HydrophobicContact CG1-CE 3.8Å; I678-M694 HydrophobicContact CG1-SD 4.14Å; P691-M694 HydrophobicContact CB-CG 4.2Å; P691-M694 HydrophobicContact CG-CG 3.95Å; M694-Q699 PolarHBondContact O-NE2 3.25Å
695	S	72.5	Confident	68.7	Low	72 Å²	72	101.5 Å²	101.5	50%	0.503	52%	0.52	S	S	.	.	S	Bend	trans	-61.3	149.9	175.2	-178.3	0	0	0	0	112.1	C697 A698 Q699	S695-C697 VanDerWaalsContact C-N 3.35Å; S695-C697 PolarHBondContact O-N 3.24Å; S695-A698 PolarHBondContact O-N 3.46Å; S695-Q699 WeakPolarHBondContact O-CG 3.36Å; S695-Q699 PolarHBondContact O-N 3.29Å; S695-Q699 VanDerWaalsContact O-N 3.14Å
696	A	70.5	Confident	71.1	Confident	60 Å²	60	93.9 Å²	93.9	50%	0.496	49%	0.488	S	S	.	.	H	α-helix	trans	-59.5	-43.2	176.5	0	0	0	0	0	112	A698 Q699 L700	A696-A698 VanDerWaalsContact C-N 3.28Å; A696-A698 PolarHBondContact O-N 3.14Å; A696-Q699 WeakPolarHBondContact O-CB 3.46Å; A696-Q699 PolarHBondContact O-N 3.03Å; A696-L700 PolarHBondContact O-N 3.15Å
697	C	79.4	Confident	73.3	Confident	85 Å²	85	87.9 Å²	87.9	57%	0.574	46%	0.458	S	S	*	.	H	α-helix	trans	-61.2	-38.1	177.7	-42.4	0	0	0	0	111.7	S695 Q699 L700 I701	S695-C697 VanDerWaalsContact C-N 3.35Å; S695-C697 PolarHBondContact O-N 3.24Å; C697-Q699 VanDerWaalsContact C-N 3.32Å; C697-Q699 PolarHBondContact O-N 2.78Å; C697-L700 PolarHBondContact O-N 2.85Å; C697-I701 WeakPolarHBondContact O-CG1 3.45Å; C697-I701 PolarHBondContact O-N 2.82Å
698	A	81.1	Confident	75.6	Confident	22 Å²	22	87.3 Å²	87.3	18%	0.182	45%	0.448	C	S	.	.	H	α-helix	trans	-69.3	-28.7	176.4	0	0	0	0	0	112.8	F693 S695 A696 I702	F693-A698 HydrophobicContact CD1-CB 4.49Å; S695-A698 PolarHBondContact O-N 3.46Å; A696-A698 VanDerWaalsContact C-N 3.28Å; A696-A698 PolarHBondContact O-N 3.14Å; A698-I702 WeakPolarHBondContact O-CD1 3.4Å; A698-I702 VanDerWaalsContact O-CG1 3.25Å; A698-I702 WeakPolarHBondContact O-CG1 3.44Å; A698-I702 PolarHBondContact O-N 3.09Å
699	Q	82.3	Confident	77.8	Confident	8 Å²	8	85.4 Å²	85.4	4%	0.037	43%	0.433	C	S	.	.	H	α-helix	trans	-70.3	-43	172.4	-65.8	165.8	41.1	0	0	110.6	S620 L623 T670 M694 S695 A696 C697 I702 A703	S620-Q699 PolarHBondContact OG-OE1 2.8Å; S620-Q699 VanDerWaalsContact OG-OE1 3.13Å; L623-Q699 HydrophobicContact CD1-CB 4.36Å; T670-Q699 HydrophobicContact CG2-CB 3.9Å; T670-Q699 HydrophobicContact CG2-CG 4.42Å; T670-Q699 WeakPolarHBondContact CG2-O 3.5Å; M694-Q699 PolarHBondContact O-NE2 3.25Å; S695-Q699 WeakPolarHBondContact O-CG 3.36Å; S695-Q699 PolarHBondContact O-N 3.29Å; S695-Q699 VanDerWaalsContact O-N 3.14Å; A696-Q699 WeakPolarHBondContact O-CB 3.46Å; A696-Q699 PolarHBondContact O-N 3.03Å; C697-Q699 VanDerWaalsContact C-N 3.32Å; C697-Q699 PolarHBondContact O-N 2.78Å; Q699-I702 PolarHBondContact O-N 3.23Å; Q699-A703 PolarHBondContact O-N 2.88Å
700	L	86.8	Confident	79.9	Confident	60 Å²	60	76.8 Å²	76.8	31%	0.314	40%	0.395	S	S	.	.	H	α-helix	trans	-61.4	-45.1	176.4	-75.4	169.9	0	0	0	112.5	E622 L623 I626 A696 C697 I702 A703 F704	E622-L700 HydrophobicContact CB-CD1 4.03Å; E622-L700 HydrophobicContact CB-CD2 3.77Å; E622-L700 HydrophobicContact CB-CG 4.25Å; E622-L700 HydrophobicContact CG-CD1 4.18Å; L623-L700 HydrophobicContact CD2-CD2 4.32Å; I626-L700 HydrophobicContact CD1-CD2 3.59Å; A696-L700 PolarHBondContact O-N 3.15Å; C697-L700 PolarHBondContact O-N 2.85Å; L700-I702 VanDerWaalsContact C-N 3.33Å; L700-I702 PolarHBondContact O-N 2.95Å; L700-A703 PolarHBondContact O-N 2.73Å; L700-F704 VanDerWaalsContact O-CB 3.29Å; L700-F704 WeakPolarHBondContact O-CB 3.3Å; L700-F704 PolarHBondContact O-N 2.92Å
701	I	89.4	Confident	81.9	Confident	105 Å²	105	70.2 Å²	70.2	54%	0.538	37%	0.369	S	S	.	.	H	α-helix	trans	-59.3	-42.9	176.6	-67.4	163	0	0	0	111.2	C697 F704 L705	C697-I701 WeakPolarHBondContact O-CG1 3.45Å; C697-I701 PolarHBondContact O-N 2.82Å; I701-F704 PolarHBondContact O-N 2.77Å; I701-L705 HydrophobicContact CG2-CD1 3.89Å; I701-L705 HydrophobicContact CG2-CG 4.39Å; I701-L705 WeakPolarHBondContact O-CB 3.45Å; I701-L705 VanDerWaalsContact O-CG 3.28Å; I701-L705 WeakPolarHBondContact O-CG 3.28Å; I701-L705 PolarHBondContact O-N 2.87Å
702	I	88.3	Confident	83.7	Confident	53 Å²	53	68.2 Å²	68.2	27%	0.272	36%	0.364	S	S	.	.	H	α-helix	trans	-64	-45.4	177.6	-68.8	165.5	0	0	0	111.3	T670 A698 Q699 L700 L706	T670-I702 HydrophobicContact CG2-CG2 4.43Å; A698-I702 WeakPolarHBondContact O-CD1 3.4Å; A698-I702 VanDerWaalsContact O-CG1 3.25Å; A698-I702 WeakPolarHBondContact O-CG1 3.44Å; A698-I702 PolarHBondContact O-N 3.09Å; Q699-I702 PolarHBondContact O-N 3.23Å; L700-I702 VanDerWaalsContact C-N 3.33Å; L700-I702 PolarHBondContact O-N 2.95Å; I702-L706 HydrophobicContact CG2-CD1 4.45Å; I702-L706 WeakPolarHBondContact O-CG 3.35Å; I702-L706 PolarHBondContact O-N 2.99Å
703	A	90	Very high	85.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.2	-41.1	177.8	0	0	0	0	0	111.9	L623 T670 Q699 L700 L706 I707	L623-A703 HydrophobicContact CD2-CB 4.02Å; T670-A703 HydrophobicContact CG2-CB 4.48Å; Q699-A703 PolarHBondContact O-N 2.88Å; L700-A703 PolarHBondContact O-N 2.73Å; A703-L706 PolarHBondContact O-N 2.73Å; A703-I707 VanDerWaalsContact O-CG1 3.31Å; A703-I707 WeakPolarHBondContact O-CG1 3.49Å; A703-I707 PolarHBondContact O-N 2.77Å; A703-I707 VanDerWaalsContact O-N 3.14Å
704	F	91.3	Very high	87.2	Confident	122 Å²	122	53.8 Å²	53.8	54%	0.535	31%	0.309	S	S	.	.	H	α-helix	trans	-66.7	-41.1	179.5	-174.3	-115.7	0	0	0	112.6	L700 I701 L706 I707 L708	L700-F704 VanDerWaalsContact O-CB 3.29Å; L700-F704 WeakPolarHBondContact O-CB 3.3Å; L700-F704 PolarHBondContact O-N 2.92Å; I701-F704 PolarHBondContact O-N 2.77Å; F704-L706 VanDerWaalsContact C-N 3.32Å; F704-L706 PolarHBondContact O-N 3.39Å; F704-I707 PolarHBondContact O-N 2.82Å; F704-L708 HydrophobicContact CD1-CD1 3.89Å; F704-L708 HydrophobicContact CD1-CG 4.29Å; F704-L708 HydrophobicContact CE1-CD1 3.49Å; F704-L708 VanDerWaalsContact CE1-CD1 3.49Å; F704-L708 HydrophobicContact CE1-CD2 4.46Å; F704-L708 HydrophobicContact CE1-CG 4.01Å; F704-L708 HydrophobicContact CE2-CD2 4.39Å; F704-L708 HydrophobicContact CE2-CG 4.35Å; F704-L708 HydrophobicContact CZ-CD1 3.94Å; F704-L708 HydrophobicContact CZ-CD2 4.05Å; F704-L708 HydrophobicContact CZ-CG 4.03Å; F704-L708 WeakPolarHBondContact O-CG 3.45Å; F704-L708 PolarHBondContact O-N 3.35Å
705	L	93	Very high	88.7	Confident	106 Å²	106	55 Å²	55	56%	0.555	32%	0.319	S	S	*	.	H	α-helix	trans	-62.8	-35.5	176	-73.6	169.6	0	0	0	112.9	I701 L709	I701-L705 HydrophobicContact CG2-CD1 3.89Å; I701-L705 HydrophobicContact CG2-CG 4.39Å; I701-L705 WeakPolarHBondContact O-CB 3.45Å; I701-L705 VanDerWaalsContact O-CG 3.28Å; I701-L705 WeakPolarHBondContact O-CG 3.28Å; I701-L705 PolarHBondContact O-N 2.87Å; L705-L709 PolarHBondContact O-N 3.1Å
706	L	93.3	Very high	89.7	Confident	45 Å²	45	53.9 Å²	53.9	24%	0.236	31%	0.313	C	S	.	.	H	α-helix	trans	-70.1	-36.3	174.2	-66.2	170	0	0	0	112	S666 V669 I702 A703 F704 L709 Q710 Y752	S666-L706 WeakPolarHBondContact OG-CB 3.22Å; V669-L706 HydrophobicContact CG1-CD1 3.6Å; I702-L706 HydrophobicContact CG2-CD1 4.45Å; I702-L706 WeakPolarHBondContact O-CG 3.35Å; I702-L706 PolarHBondContact O-N 2.99Å; A703-L706 PolarHBondContact O-N 2.73Å; F704-L706 VanDerWaalsContact C-N 3.32Å; F704-L706 PolarHBondContact O-N 3.39Å; L706-L709 PolarHBondContact O-N 2.89Å; L706-Q710 PolarHBondContact O-N 3.32Å; L706-Y752 WeakPolarHBondContact CD2-OH 3.29Å; L706-Y752 PolarHBondContact O-OH 3.39Å
707	I	94.9	Very high	90.6	Very high	22 Å²	22	51.9 Å²	51.9	11%	0.113	30%	0.295	C	S	.	.	H	α-helix	trans	-67.4	-43.8	174.4	-66.4	165.4	0	0	0	110.9	I626 L659 M663 A703 F704 L709 Q710 L711	I626-I707 HydrophobicContact CG2-CD1 4.05Å; L659-I707 HydrophobicContact CD1-CG2 4.03Å; M663-I707 HydrophobicContact CB-CD1 4.35Å; M663-I707 HydrophobicContact CG-CD1 4.1Å; M663-I707 HydrophobicContact CG-CG1 4.22Å; M663-I707 HydrophobicContact CG-CG2 4.07Å; A703-I707 VanDerWaalsContact O-CG1 3.31Å; A703-I707 WeakPolarHBondContact O-CG1 3.49Å; A703-I707 PolarHBondContact O-N 2.77Å; A703-I707 VanDerWaalsContact O-N 3.14Å; F704-I707 PolarHBondContact O-N 2.82Å; I707-L709 VanDerWaalsContact C-N 3.28Å; I707-L709 PolarHBondContact O-N 3.25Å; I707-Q710 PolarHBondContact O-N 3.48Å; I707-L711 PolarHBondContact O-N 2.98Å
708	L	94.1	Very high	91.2	Very high	73 Å²	73	49.7 Å²	49.7	38%	0.382	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-33.2	175.3	-74.3	-177.2	0	0	0	112.7	F704 L711 G712	F704-L708 HydrophobicContact CD1-CD1 3.89Å; F704-L708 HydrophobicContact CD1-CG 4.29Å; F704-L708 HydrophobicContact CE1-CD1 3.49Å; F704-L708 VanDerWaalsContact CE1-CD1 3.49Å; F704-L708 HydrophobicContact CE1-CD2 4.46Å; F704-L708 HydrophobicContact CE1-CG 4.01Å; F704-L708 HydrophobicContact CE2-CD2 4.39Å; F704-L708 HydrophobicContact CE2-CG 4.35Å; F704-L708 HydrophobicContact CZ-CD1 3.94Å; F704-L708 HydrophobicContact CZ-CD2 4.05Å; F704-L708 HydrophobicContact CZ-CG 4.03Å; F704-L708 WeakPolarHBondContact O-CG 3.45Å; F704-L708 PolarHBondContact O-N 3.35Å; L708-L711 HydrophobicContact CD2-CD2 4.2Å; L708-L711 PolarHBondContact O-N 3.06Å; L708-G712 PolarHBondContact O-N 3.25Å
709	L	94.4	Very high	91.7	Very high	93 Å²	93	55.6 Å²	55.6	49%	0.487	30%	0.303	S	S	.	.	H	α-helix	trans	-63.9	-44.7	175.4	-179.1	55.3	0	0	0	111.6	L705 L706 I707 G712 I713 Y752	L705-L709 PolarHBondContact O-N 3.1Å; L706-L709 PolarHBondContact O-N 2.89Å; I707-L709 VanDerWaalsContact C-N 3.28Å; I707-L709 PolarHBondContact O-N 3.25Å; L709-G712 PolarHBondContact O-N 2.77Å; L709-I713 WeakPolarHBondContact O-CG1 3.43Å; L709-I713 PolarHBondContact O-N 3.18Å; L709-I713 VanDerWaalsContact O-N 3.15Å; L709-Y752 HydrophobicContact CD2-CE2 3.64Å; L709-Y752 HydrophobicContact CG-CE2 3.97Å
710	Q	94.4	Very high	92	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-42.1	172.6	-177.2	74.7	-40.8	0	0	111.8	G658 A662 L706 I707 G712 I713 I714 P749 Y752 N753	G658-Q710 PolarHBondContact O-NE2 3Å; A662-Q710 HydrophobicContact CB-CB 3.75Å; A662-Q710 HydrophobicContact CB-CG 3.57Å; L706-Q710 PolarHBondContact O-N 3.32Å; I707-Q710 PolarHBondContact O-N 3.48Å; Q710-G712 VanDerWaalsContact C-N 3.3Å; Q710-G712 PolarHBondContact O-N 2.71Å; Q710-I713 WeakPolarHBondContact O-CB 3.14Å; Q710-I713 PolarHBondContact O-N 3.49Å; Q710-I714 HydrophobicContact CG-CD1 3.93Å; Q710-I714 HydrophobicContact CG-CG1 4.46Å; Q710-I714 WeakPolarHBondContact O-CG1 3.38Å; Q710-I714 PolarHBondContact O-N 3.33Å; Q710-P749 PolarHBondContact NE2-O 2.85Å; Q710-Y752 HydrophobicContact CB-CD1 3.83Å; Q710-Y752 HydrophobicContact CB-CE1 3.84Å; Q710-Y752 HydrophobicContact CG-CD1 4.23Å; Q710-Y752 VanDerWaalsContact OE1-CD1 3.29Å; Q710-N753 PolarHBondContact NE2-ND2 3.38Å
711	L	94.4	Very high	92.1	Very high	63 Å²	63	61 Å²	61	33%	0.33	33%	0.329	S	S	.	.	H	α-helix	trans	-60.6	-41.1	178.5	-175.2	62.2	0	0	0	111.4	L655 I707 L708 I714 V715	L655-L711 HydrophobicContact CD1-CD1 4.24Å; I707-L711 PolarHBondContact O-N 2.98Å; L708-L711 HydrophobicContact CD2-CD2 4.2Å; L708-L711 PolarHBondContact O-N 3.06Å; L711-I714 PolarHBondContact O-N 3.17Å; L711-V715 HydrophobicContact CD1-CG2 4.39Å; L711-V715 HydrophobicContact CG-CG2 4.49Å; L711-V715 WeakPolarHBondContact O-CB 3.24Å; L711-V715 VanDerWaalsContact O-CG2 3.32Å; L711-V715 WeakPolarHBondContact O-CG2 3.39Å; L711-V715 PolarHBondContact O-N 3.18Å
712	G	94.3	Very high	92	Very high	42 Å²	42	59 Å²	59	43%	0.433	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-40.3	174.1	0	0	0	0	0	113.3	L708 L709 Q710 V715 A716	L708-G712 PolarHBondContact O-N 3.25Å; L709-G712 PolarHBondContact O-N 2.77Å; Q710-G712 VanDerWaalsContact C-N 3.3Å; Q710-G712 PolarHBondContact O-N 2.71Å; G712-V715 PolarHBondContact O-N 3.24Å; G712-A716 WeakPolarHBondContact O-CB 3.27Å; G712-A716 PolarHBondContact O-N 3.04Å
713	I	93.3	Very high	92	Very high	48 Å²	48	56.5 Å²	56.5	25%	0.246	31%	0.31	C	S	.	.	H	α-helix	trans	-61.8	-46.7	174	-67.1	164.4	0	0	0	110.6	L709 Q710 A716 L717 Y752	L709-I713 WeakPolarHBondContact O-CG1 3.43Å; L709-I713 PolarHBondContact O-N 3.18Å; L709-I713 VanDerWaalsContact O-N 3.15Å; Q710-I713 WeakPolarHBondContact O-CB 3.14Å; Q710-I713 PolarHBondContact O-N 3.49Å; I713-A716 PolarHBondContact O-N 2.91Å; I713-L717 HydrophobicContact CG2-CD1 3.98Å; I713-L717 VanDerWaalsContact O-CG 3.3Å; I713-L717 WeakPolarHBondContact O-CG 3.39Å; I713-L717 PolarHBondContact O-N 3.33Å; I713-Y752 HydrophobicContact CD1-CD2 4.13Å; I713-Y752 HydrophobicContact CD1-CG 4.13Å
714	I	92.6	Very high	91.9	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-43.2	179.5	-64.6	168	0	0	0	111.4	L655 L659 Q710 L711 L717 F718 P749	L655-I714 HydrophobicContact CD1-CD1 4.45Å; L655-I714 HydrophobicContact CD1-CG2 4.08Å; L659-I714 HydrophobicContact CB-CD1 4.21Å; Q710-I714 HydrophobicContact CG-CD1 3.93Å; Q710-I714 HydrophobicContact CG-CG1 4.46Å; Q710-I714 WeakPolarHBondContact O-CG1 3.38Å; Q710-I714 PolarHBondContact O-N 3.33Å; L711-I714 PolarHBondContact O-N 3.17Å; I714-L717 PolarHBondContact O-N 3.08Å; I714-F718 HydrophobicContact CG2-CD2 4Å; I714-F718 HydrophobicContact CG2-CE2 3.54Å; I714-F718 HydrophobicContact CG2-CZ 3.85Å; I714-F718 WeakPolarHBondContact O-CG 3.5Å; I714-F718 PolarHBondContact O-N 2.88Å; I714-P749 HydrophobicContact CG1-CB 4.46Å
715	V	93	Very high	91.9	Very high	71 Å²	71	56.6 Å²	56.6	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-40.6	178.2	170.6	0	0	0	0	111.5	L711 G712 L717 F718 L719	L711-V715 HydrophobicContact CD1-CG2 4.39Å; L711-V715 HydrophobicContact CG-CG2 4.49Å; L711-V715 WeakPolarHBondContact O-CB 3.24Å; L711-V715 VanDerWaalsContact O-CG2 3.32Å; L711-V715 WeakPolarHBondContact O-CG2 3.39Å; L711-V715 PolarHBondContact O-N 3.18Å; G712-V715 PolarHBondContact O-N 3.24Å; V715-L717 VanDerWaalsContact C-N 3.33Å; V715-L717 PolarHBondContact O-N 3.46Å; V715-F718 PolarHBondContact O-N 3.5Å; V715-L719 HydrophobicContact CG1-CD1 4.44Å; V715-L719 WeakPolarHBondContact O-CG 3.24Å; V715-L719 PolarHBondContact O-N 3.06Å; V715-L719 VanDerWaalsContact O-N 3.09Å
716	A	92.4	Very high	91.7	Very high	48 Å²	48	54.8 Å²	54.8	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-60.7	-42.8	173.4	0	0	0	0	0	111.7	G712 I713 F718 L719 M720	G712-A716 WeakPolarHBondContact O-CB 3.27Å; G712-A716 PolarHBondContact O-N 3.04Å; I713-A716 PolarHBondContact O-N 2.91Å; A716-F718 VanDerWaalsContact C-N 3.34Å; A716-F718 PolarHBondContact O-N 2.99Å; A716-L719 PolarHBondContact O-N 3.37Å; A716-M720 WeakPolarHBondContact O-CG 3.31Å; A716-M720 PolarHBondContact O-N 2.96Å; A716-M720 VanDerWaalsContact O-N 3.08Å
717	L	90.8	Very high	91.5	Very high	19 Å²	19	56 Å²	56	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-64.2	-34.9	175.2	-69.9	164.6	0	0	0	112.6	I713 I714 V715 L719 M720 E721 L744 A748	I713-L717 HydrophobicContact CG2-CD1 3.98Å; I713-L717 VanDerWaalsContact O-CG 3.3Å; I713-L717 WeakPolarHBondContact O-CG 3.39Å; I713-L717 PolarHBondContact O-N 3.33Å; I714-L717 PolarHBondContact O-N 3.08Å; V715-L717 VanDerWaalsContact C-N 3.33Å; V715-L717 PolarHBondContact O-N 3.46Å; L717-L719 VanDerWaalsContact C-N 3.35Å; L717-M720 PolarHBondContact O-N 3.08Å; L717-E721 WeakPolarHBondContact O-CA 3.14Å; L717-E721 WeakPolarHBondContact O-CB 3.43Å; L717-E721 PolarHBondContact O-N 2.74Å; L717-L744 HydrophobicContact CD2-CG 4.36Å; L717-A748 HydrophobicContact CD1-CB 3.85Å; L717-A748 HydrophobicContact CD2-CB 4.37Å
718	F	91.6	Very high	91.2	Very high	39 Å²	39	58.2 Å²	58.2	17%	0.171	33%	0.326	C	S	.	.	H	α-helix	trans	-68.9	-29.5	173.5	-71.8	-34.5	0	0	0	113.8	Y651 R654 L655 I714 V715 A716 P723	Y651-F718 HydrophobicContact CD1-CD1 4.13Å; Y651-F718 HydrophobicContact CD1-CD2 4.43Å; Y651-F718 AromaticContact CD1-CE1 3.87Å; Y651-F718 HydrophobicContact CD1-CE1 3.87Å; Y651-F718 HydrophobicContact CD1-CE2 4.19Å; Y651-F718 HydrophobicContact CD1-CG 4.41Å; Y651-F718 AromaticContact CD1-CZ 3.91Å; Y651-F718 HydrophobicContact CD1-CZ 3.91Å; Y651-F718 HydrophobicContact CE1-CD1 4.13Å; Y651-F718 HydrophobicContact CE1-CE1 4.34Å; Y651-F718 HydrophobicContact CE1-CG 4.23Å; R654-F718 HydrophobicContact CB-CE1 3.59Å; R654-F718 HydrophobicContact CB-CZ 3.95Å; R654-F718 HydrophobicContact CG-CE1 4.37Å; L655-F718 HydrophobicContact CB-CE2 4.47Å; L655-F718 HydrophobicContact CB-CZ 4.19Å; I714-F718 HydrophobicContact CG2-CD2 4Å; I714-F718 HydrophobicContact CG2-CE2 3.54Å; I714-F718 HydrophobicContact CG2-CZ 3.85Å; I714-F718 WeakPolarHBondContact O-CG 3.5Å; I714-F718 PolarHBondContact O-N 2.88Å; V715-F718 PolarHBondContact O-N 3.5Å; A716-F718 VanDerWaalsContact C-N 3.34Å; A716-F718 PolarHBondContact O-N 2.99Å; F718-P723 HydrophobicContact CD1-CG 4.14Å; F718-P723 HydrophobicContact CE1-CG 4.04Å
719	L	91.1	Very high	90.9	Very high	145 Å²	145	59.4 Å²	59.4	76%	0.759	33%	0.326	S	S	*	.	H	α-helix	trans	-76.3	-30.4	175	-68.1	171.9	0	0	0	112.4	V715 A716 L717	V715-L719 HydrophobicContact CG1-CD1 4.44Å; V715-L719 WeakPolarHBondContact O-CG 3.24Å; V715-L719 PolarHBondContact O-N 3.06Å; V715-L719 VanDerWaalsContact O-N 3.09Å; A716-L719 PolarHBondContact O-N 3.37Å; L717-L719 VanDerWaalsContact C-N 3.35Å
720	M	89.4	Confident	90.5	Very high	149 Å²	149	58.5 Å²	58.5	73%	0.734	33%	0.326	S	S	*	.	H	α-helix	trans	-84.9	-33.2	175.7	-63.2	-178.3	75.4	0	0	112.9	A716 L717	A716-M720 WeakPolarHBondContact O-CG 3.31Å; A716-M720 PolarHBondContact O-N 2.96Å; A716-M720 VanDerWaalsContact O-N 3.08Å; L717-M720 PolarHBondContact O-N 3.08Å
721	E	87.6	Confident	90	Very high	34 Å²	34	60.8 Å²	60.8	16%	0.159	34%	0.342	C	S	.	.	S	Bend	trans	-137.1	91	-177	-65.2	-178.6	-176.8	0	0	111	R654 L717 P723 T742	R654-E721 IonicContact CZ-OE2 2.74Å; R654-E721 VanDerWaalsContact CZ-OE2 3.24Å; R654-E721 PolarHBondContact NH1-O 2.91Å; R654-E721 IonicContact NH1-OE2 3.24Å; R654-E721 PolarHBondContact NH1-OE2 3.38Å; R654-E721 IonicContact NH2-OE2 2.66Å; R654-E721 PolarHBondContact NH2-OE2 3.47Å; L717-E721 WeakPolarHBondContact O-CA 3.14Å; L717-E721 WeakPolarHBondContact O-CB 3.43Å; L717-E721 PolarHBondContact O-N 2.74Å; E721-P723 WeakPolarHBondContact O-CD 3.32Å; E721-T742 VanDerWaalsContact CD-CG2 3.47Å; E721-T742 HydrophobicContact CG-CG2 4.49Å; E721-T742 WeakPolarHBondContact OE1-CB 3.45Å; E721-T742 WeakPolarHBondContact OE1-CG2 3.35Å; E721-T742 PolarHBondContact OE1-OG1 2.87Å; E721-T742 WeakPolarHBondContact OE2-CG2 3.39Å; E721-T742 PolarHBondContact OE2-OG1 3.03Å
722	P	88.1	Confident	89.4	Confident	63 Å²	63	62.6 Å²	62.6	41%	0.409	35%	0.351	S	S	.	.			trans	-65	125.9	172.9	25.4	-33.1	0	0	0	110.7	N724	P722-N724 PolarHBondContact O-N 3.41Å
723	P	87.2	Confident	88.9	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.354	C	S	.	.			trans	-75.9	86.7	-177	30.3	-35.4	0	0	0	112.4	C650 Y651 F718 E721	C650-P723 HydrophobicContact CB-CB 3.92Å; Y651-P723 HydrophobicContact CD1-CG 3.41Å; Y651-P723 VanDerWaalsContact CD1-CG 3.41Å; Y651-P723 HydrophobicContact CD2-CG 3.77Å; Y651-P723 VanDerWaalsContact CE1-CD 3.49Å; Y651-P723 HydrophobicContact CE1-CG 3.45Å; Y651-P723 VanDerWaalsContact CE1-CG 3.45Å; Y651-P723 HydrophobicContact CE2-CG 3.8Å; Y651-P723 HydrophobicContact CG-CG 3.57Å; F718-P723 HydrophobicContact CD1-CG 4.14Å; F718-P723 HydrophobicContact CE1-CG 4.04Å; E721-P723 WeakPolarHBondContact O-CD 3.32Å
724	N	88.4	Confident	88.6	Confident	80 Å²	80	68.3 Å²	68.3	43%	0.428	36%	0.36	S	S	.	.			trans	-85.1	167.4	171.9	-67	-29	0	0	0	112.1	P722 N740	P722-N724 PolarHBondContact O-N 3.41Å; N724-N740 WeakPolarHBondContact O-CB 3.34Å; N724-N740 PolarHBondContact O-N 3.25Å
725	V	91.1	Very high	88.5	Confident	44 Å²	44	68.2 Å²	68.2	27%	0.267	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	139	167.8	-174.5	0	0	0	0	108.6	P645 L737 I738	P645-V725 HydrophobicContact CB-CG1 4.01Å; P645-V725 HydrophobicContact CB-CG2 4.32Å; V725-L737 HydrophobicContact CG1-CD1 3.51Å; V725-L737 HydrophobicContact CG1-CD2 4.31Å; V725-L737 HydrophobicContact CG1-CG 3.71Å; V725-I738 WeakPolarHBondContact CA-O 3.41Å
726	I	89.8	Confident	88.3	Confident	67 Å²	67	67 Å²	67	34%	0.344	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.9	178.1	60.5	176.7	0	0	0	110.6	I738 N740	I726-I738 HydrophobicContact CD1-CD1 4.28Å; I726-I738 HydrophobicContact CD1-CG1 4.25Å; I726-I738 HydrophobicContact CG1-CD1 4.28Å; I726-I738 HydrophobicContact CG1-CG1 3.7Å; I726-I738 PolarHBondContact N-O 2.94Å; I726-I738 PolarHBondContact O-N 2.68Å; I726-N740 HydrophobicContact CD1-CB 4.16Å; I726-N740 HydrophobicContact CG1-CB 4.43Å; I726-N740 HydrophobicContact CG2-CB 4.24Å
727	N	89.3	Confident	88.2	Confident	71 Å²	71	66 Å²	66	38%	0.38	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.4	167.7	-67	3.1	0	0	0	109	Y729 V735 N736 L737	N727-Y729 HydrophobicContact CB-CE1 4.24Å; N727-Y729 HydrophobicContact CB-CE2 3.85Å; N727-Y729 WeakPolarHBondContact CB-OH 3.14Å; N727-Y729 PolarHBondContact ND2-OH 2.92Å; N727-V735 HydrophobicContact CB-CG1 3.87Å; N727-N736 CarbonylContact C-O 3.5Å; N727-N736 WeakPolarHBondContact CA-O 3.47Å; N727-L737 WeakPolarHBondContact OD1-CD1 3.24Å
728	D	87.6	Confident	88.1	Confident	68 Å²	68	68.1 Å²	68.1	36%	0.364	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.8	172.7	170.1	49.2	0	0	0	109.3	P730 N736 I738	D728-P730 VanDerWaalsContact O-CD 3.29Å; D728-P730 WeakPolarHBondContact O-CD 3.37Å; D728-N736 HydrophobicContact CB-CB 4.08Å; D728-N736 PolarHBondContact N-O 2.86Å; D728-N736 PolarHBondContact O-N 2.78Å; D728-N736 PolarHBondContact OD2-ND2 2.86Å; D728-I738 HydrophobicContact CB-CD1 3.7Å; D728-I738 HydrophobicContact CB-CG1 4.04Å
729	Y	88.2	Confident	88	Confident	99 Å²	99	66.7 Å²	66.7	39%	0.388	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	75.3	-166.6	-62.3	-75	0	0	0	110.4	N727 S731 V735	N727-Y729 HydrophobicContact CB-CE1 4.24Å; N727-Y729 HydrophobicContact CB-CE2 3.85Å; N727-Y729 WeakPolarHBondContact CB-OH 3.14Å; N727-Y729 PolarHBondContact ND2-OH 2.92Å; Y729-S731 PolarHBondContact O-N 3.31Å; Y729-V735 HydrophobicContact CD1-CB 4.37Å; Y729-V735 HydrophobicContact CD1-CG1 4.03Å; Y729-V735 HydrophobicContact CD1-CG2 3.87Å; Y729-V735 HydrophobicContact CE1-CB 4.18Å; Y729-V735 HydrophobicContact CE1-CG1 3.53Å; Y729-V735 HydrophobicContact CE1-CG2 3.69Å
730	P	85.2	Confident	87.9	Confident	74 Å²	74	62.3 Å²	62.3	48%	0.481	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-21.6	-178.4	30.6	-38.6	0	0	0	113.3	D728 Q734	D728-P730 VanDerWaalsContact O-CD 3.29Å; D728-P730 WeakPolarHBondContact O-CD 3.37Å; P730-Q734 HydrophobicContact CG-CB 4.07Å
731	S	83.6	Confident	87.6	Confident	48 Å²	48	57.5 Å²	57.5	34%	0.336	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	165.5	173.6	74.2	0	0	0	0	110.8	Y729 R733 Q734	Y729-S731 PolarHBondContact O-N 3.31Å; S731-R733 PolarHBondContact O-N 3.43Å; S731-R733 VanDerWaalsContact O-N 3.12Å; S731-R733 PolarHBondContact OG-N 3.2Å; S731-Q734 PolarHBondContact O-N 2.84Å; S731-Q734 VanDerWaalsContact O-O 3.12Å; S731-Q734 WeakPolarHBondContact OG-CB 3.44Å; S731-Q734 PolarHBondContact OG-N 2.85Å; S731-Q734 PolarHBondContact OG-OE1 3.03Å
732	I	83.3	Confident	87.5	Confident	101 Å²	101	58.1 Å²	58.1	52%	0.518	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-10.8	176.7	60.6	172.7	0	0	0	114.2	N546 W563 I574	N546-I732 HydrophobicContact CB-CD1 4.37Å; W563-I732 HydrophobicContact CZ3-CD1 4.14Å; W563-I732 HydrophobicContact CZ3-CG1 4.3Å; I574-I732 VanDerWaalsContact CD1-O 3.29Å; I574-I732 WeakPolarHBondContact CD1-O 3.4Å
733	R	83.9	Confident	87.5	Confident	132 Å²	132	60.1 Å²	60.1	50%	0.498	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	0.7	179.2	-67.9	-171.4	-174.7	-154	8	113.8	E545 W563 S731	E545-R733 VanDerWaalsContact CD-NH2 3.28Å; E545-R733 IonicContact OE1-NH2 3.75Å; E545-R733 PolarHBondContact OE1-NH2 3.07Å; E545-R733 IonicContact OE2-CZ 2.74Å; E545-R733 IonicContact OE2-NH2 2.8Å; E545-R733 PolarHBondContact OE2-NH2 3.19Å; W563-R733 HydrophobicContact CE3-CG 3.82Å; W563-R733 HydrophobicContact CH2-CG 3.95Å; W563-R733 HydrophobicContact CZ3-CG 3.51Å; S731-R733 PolarHBondContact O-N 3.43Å; S731-R733 VanDerWaalsContact O-N 3.12Å; S731-R733 PolarHBondContact OG-N 3.2Å
734	Q	86.1	Confident	87.4	Confident	78 Å²	78	64.9 Å²	64.9	36%	0.364	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.6	-174.4	-67.8	178	-63	0	0	112.1	P730 S731	P730-Q734 HydrophobicContact CG-CB 4.07Å; S731-Q734 PolarHBondContact O-N 2.84Å; S731-Q734 VanDerWaalsContact O-O 3.12Å; S731-Q734 WeakPolarHBondContact OG-CB 3.44Å; S731-Q734 PolarHBondContact OG-N 2.85Å; S731-Q734 PolarHBondContact OG-OE1 3.03Å
735	V	90.7	Very high	87.3	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	108.6	178.6	-172.3	0	0	0	0	109.1	I574 V576 E577 N727 Y729	I574-V735 HydrophobicContact CB-CG2 3.8Å; I574-V735 HydrophobicContact CD1-CG2 4.4Å; I574-V735 HydrophobicContact CG2-CG2 3.87Å; V576-V735 CarbonylContact C-O 3.57Å; V576-V735 WeakPolarHBondContact CA-O 3.38Å; V576-V735 HydrophobicContact CG1-CB 4.31Å; V576-V735 HydrophobicContact CG1-CG1 3.85Å; E577-V735 PolarHBondContact N-O 3.25Å; N727-V735 HydrophobicContact CB-CG1 3.87Å; Y729-V735 HydrophobicContact CD1-CB 4.37Å; Y729-V735 HydrophobicContact CD1-CG1 4.03Å; Y729-V735 HydrophobicContact CD1-CG2 3.87Å; Y729-V735 HydrophobicContact CE1-CB 4.18Å; Y729-V735 HydrophobicContact CE1-CG1 3.53Å; Y729-V735 HydrophobicContact CE1-CG2 3.69Å
736	N	89.1	Confident	87	Confident	46 Å²	46	59.9 Å²	59.9	25%	0.246	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132	177.2	-70.8	-27.2	0	0	0	110.4	N727 D728 I738	N727-N736 CarbonylContact C-O 3.5Å; N727-N736 WeakPolarHBondContact CA-O 3.47Å; D728-N736 HydrophobicContact CB-CB 4.08Å; D728-N736 PolarHBondContact N-O 2.86Å; D728-N736 PolarHBondContact O-N 2.78Å; D728-N736 PolarHBondContact OD2-ND2 2.86Å; N736-I738 HydrophobicContact CB-CG2 4.26Å
737	L	90.1	Very high	86.9	Confident	26 Å²	26	60.3 Å²	60.3	14%	0.136	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118	168.8	-166.5	73.3	0	0	0	109.5	V576 E577 K644 P645 V725 N727	V576-L737 HydrophobicContact CB-CB 4.28Å; V576-L737 HydrophobicContact CG2-CB 4.34Å; V576-L737 HydrophobicContact CG2-CD2 4.48Å; E577-L737 PolarHBondContact O-N 2.94Å; K644-L737 HydrophobicContact CG-CD2 4.43Å; P645-L737 HydrophobicContact CB-CD2 4.3Å; P645-L737 HydrophobicContact CB-CG 4.26Å; V725-L737 HydrophobicContact CG1-CD1 3.51Å; V725-L737 HydrophobicContact CG1-CD2 4.31Å; V725-L737 HydrophobicContact CG1-CG 3.71Å; N727-L737 WeakPolarHBondContact OD1-CD1 3.24Å
738	I	89.6	Confident	87	Confident	64 Å²	64	58.4 Å²	58.4	33%	0.328	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	159.2	-178	67.1	170.5	0	0	0	113.1	V725 I726 D728 N736	V725-I738 WeakPolarHBondContact CA-O 3.41Å; I726-I738 HydrophobicContact CD1-CD1 4.28Å; I726-I738 HydrophobicContact CD1-CG1 4.25Å; I726-I738 HydrophobicContact CG1-CD1 4.28Å; I726-I738 HydrophobicContact CG1-CG1 3.7Å; I726-I738 PolarHBondContact N-O 2.94Å; I726-I738 PolarHBondContact O-N 2.68Å; D728-I738 HydrophobicContact CB-CD1 3.7Å; D728-I738 HydrophobicContact CB-CG1 4.04Å; N736-I738 HydrophobicContact CB-CG2 4.26Å
739	C	89.3	Confident	87.1	Confident	9 Å²	9	55.4 Å²	55.4	6%	0.061	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	134.7	167.4	-67.1	0	0	0	0	110.3	C650 Q653 T741	C650-C739 WeakPolarHBondContact CA-SG 3.34Å; C650-C739 HydrophobicContact CB-CB 3.67Å; C650-C739 WeakPolarHBondContact CB-SG 3.36Å; C650-C739 WeakPolarHBondContact SG-CB 3.34Å; C650-C739 CovalentContact SG-SG 2.04Å; C650-C739 PolarHBondContact SG-SG 2.79Å; Q653-C739 PolarHBondContact OE1-SG 2.88Å; C739-T741 WeakPolarHBondContact O-CB 3.43Å; C739-T741 PolarHBondContact O-N 3.39Å; C739-T741 PolarHBondContact O-OG1 3.14Å
740	N	87.8	Confident	87	Confident	53 Å²	53	51.9 Å²	51.9	28%	0.283	28%	0.284	S	S	.	.			trans	-60.2	101.2	176.1	-176.5	10	0	0	0	111	R654 N724 I726	R654-N740 PolarHBondContact NH2-O 2.89Å; N724-N740 WeakPolarHBondContact O-CB 3.34Å; N724-N740 PolarHBondContact O-N 3.25Å; I726-N740 HydrophobicContact CD1-CB 4.16Å; I726-N740 HydrophobicContact CG1-CB 4.43Å; I726-N740 HydrophobicContact CG2-CB 4.24Å
741	T	83.7	Confident	87.3	Confident	48 Å²	48	50.2 Å²	50.2	29%	0.294	28%	0.28	S	S	.	.			trans	-133	89.4	-166.8	-54.4	0	0	0	0	109.5	C739 V746	C739-T741 WeakPolarHBondContact O-CB 3.43Å; C739-T741 PolarHBondContact O-N 3.39Å; C739-T741 PolarHBondContact O-OG1 3.14Å; T741-V746 HydrophobicContact CG2-CG2 3.46Å; T741-V746 VanDerWaalsContact CG2-CG2 3.46Å
742	T	86.1	Confident	87.8	Confident	46 Å²	46	49.2 Å²	49.2	28%	0.282	27%	0.269	S	S	.	.			trans	-68.3	158.9	177.6	77.4	0	0	0	0	110.9	E721 L744 G745 V746	E721-T742 VanDerWaalsContact CD-CG2 3.47Å; E721-T742 HydrophobicContact CG-CG2 4.49Å; E721-T742 WeakPolarHBondContact OE1-CB 3.45Å; E721-T742 WeakPolarHBondContact OE1-CG2 3.35Å; E721-T742 PolarHBondContact OE1-OG1 2.87Å; E721-T742 WeakPolarHBondContact OE2-CG2 3.39Å; E721-T742 PolarHBondContact OE2-OG1 3.03Å; T742-L744 PolarHBondContact O-N 3.23Å; T742-L744 PolarHBondContact OG1-N 3.29Å; T742-G745 PolarHBondContact O-N 3.13Å; T742-G745 PolarHBondContact OG1-N 3.03Å; T742-V746 PolarHBondContact O-N 2.65Å
743	N	86.5	Confident	88.2	Confident	106 Å²	106	44.4 Å²	44.4	57%	0.567	25%	0.245	S	C	*	.	H	α-helix	trans	-58.6	-33.7	172.7	-64.8	-30.1	0	0	0	111.7	V746 V747 F799	N743-V746 PolarHBondContact O-N 3.41Å; N743-V747 WeakPolarHBondContact O-CB 3.3Å; N743-V747 VanDerWaalsContact O-CG2 3.22Å; N743-V747 WeakPolarHBondContact O-CG2 3.16Å; N743-V747 PolarHBondContact O-N 2.83Å; N743-F799 HydrophobicContact CB-CE1 4.49Å
744	L	86.6	Confident	88.5	Confident	99 Å²	99	39.5 Å²	39.5	52%	0.518	24%	0.235	S	C	.	.	H	α-helix	trans	-67.2	-46.3	178.3	-179.9	61.8	0	0	0	111.8	L717 T742 V746 V747 A748	L717-L744 HydrophobicContact CD2-CG 4.36Å; T742-L744 PolarHBondContact O-N 3.23Å; T742-L744 PolarHBondContact OG1-N 3.29Å; L744-V746 PolarHBondContact O-N 2.96Å; L744-V746 VanDerWaalsContact O-N 3.14Å; L744-V747 PolarHBondContact O-N 3.48Å; L744-A748 HydrophobicContact CD1-CB 4.35Å; L744-A748 VanDerWaalsContact O-CB 3.31Å; L744-A748 WeakPolarHBondContact O-CB 3.28Å; L744-A748 PolarHBondContact O-N 2.76Å
745	G	85.5	Confident	88.8	Confident	8 Å²	8	40.9 Å²	40.9	8%	0.082	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-21.9	178.6	0	0	0	0	0	114.3	T742 P749	T742-G745 PolarHBondContact O-N 3.13Å; T742-G745 PolarHBondContact OG1-N 3.03Å; G745-P749 VanDerWaalsContact O-CD 3.31Å; G745-P749 WeakPolarHBondContact O-CD 3.22Å; G745-P749 VanDerWaalsContact O-CG 3.31Å; G745-P749 WeakPolarHBondContact O-CG 3.08Å
746	V	85.6	Confident	88.8	Confident	11 Å²	11	41.1 Å²	41.1	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-92.8	-48.3	173.3	179.1	0	0	0	0	111.7	T741 T742 N743 L744 A748 P749 L750 Y798	T741-V746 HydrophobicContact CG2-CG2 3.46Å; T741-V746 VanDerWaalsContact CG2-CG2 3.46Å; T742-V746 PolarHBondContact O-N 2.65Å; N743-V746 PolarHBondContact O-N 3.41Å; L744-V746 PolarHBondContact O-N 2.96Å; L744-V746 VanDerWaalsContact O-N 3.14Å; V746-A748 PolarHBondContact O-N 2.65Å; V746-P749 WeakPolarHBondContact O-CD 3.39Å; V746-L750 HydrophobicContact CG1-CD1 3.74Å; V746-L750 WeakPolarHBondContact O-CB 3.29Å; V746-L750 VanDerWaalsContact O-CG 3.23Å; V746-L750 WeakPolarHBondContact O-CG 3.39Å; V746-L750 PolarHBondContact O-N 3.41Å; V746-Y798 HydrophobicContact CG1-CE1 4.01Å
747	V	88.3	Confident	88.9	Confident	76 Å²	76	39.3 Å²	39.3	46%	0.461	24%	0.236	S	C	.	.	H	α-helix	trans	-68.4	-36.6	-174.1	171.8	0	0	0	0	112.5	N743 L744 G751 F799	N743-V747 WeakPolarHBondContact O-CB 3.3Å; N743-V747 VanDerWaalsContact O-CG2 3.22Å; N743-V747 WeakPolarHBondContact O-CG2 3.16Å; N743-V747 PolarHBondContact O-N 2.83Å; L744-V747 PolarHBondContact O-N 3.48Å; V747-G751 PolarHBondContact O-N 3.13Å; V747-F799 HydrophobicContact CG2-CE2 4.31Å; V747-F799 HydrophobicContact CG2-CZ 3.77Å
748	A	89.6	Confident	88.9	Confident	31 Å²	31	43.5 Å²	43.5	26%	0.256	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-55.9	-178.1	0	0	0	0	0	114.1	L717 L744 V746 L750 G751 Y752	L717-A748 HydrophobicContact CD1-CB 3.85Å; L717-A748 HydrophobicContact CD2-CB 4.37Å; L744-A748 HydrophobicContact CD1-CB 4.35Å; L744-A748 VanDerWaalsContact O-CB 3.31Å; L744-A748 WeakPolarHBondContact O-CB 3.28Å; L744-A748 PolarHBondContact O-N 2.76Å; V746-A748 PolarHBondContact O-N 2.65Å; A748-L750 VanDerWaalsContact C-N 3.3Å; A748-L750 PolarHBondContact O-N 3.41Å; A748-G751 PolarHBondContact O-N 3.47Å; A748-Y752 PolarHBondContact O-N 2.74Å
749	P	90.3	Very high	88.9	Confident	6 Å²	6	42.9 Å²	42.9	4%	0.039	26%	0.259	C	S	.	.	H	α-helix	trans	-67.5	-30.2	178.2	26.9	-35	0	0	0	112.6	Q710 I714 G745 V746 N753	Q710-P749 PolarHBondContact NE2-O 2.85Å; I714-P749 HydrophobicContact CG1-CB 4.46Å; G745-P749 VanDerWaalsContact O-CD 3.31Å; G745-P749 WeakPolarHBondContact O-CD 3.22Å; G745-P749 VanDerWaalsContact O-CG 3.31Å; G745-P749 WeakPolarHBondContact O-CG 3.08Å; V746-P749 WeakPolarHBondContact O-CD 3.39Å; P749-N753 PolarHBondContact O-N 3.2Å; P749-N753 PolarHBondContact O-ND2 2.54Å
750	L	87.1	Confident	88.9	Confident	25 Å²	25	42.5 Å²	42.5	13%	0.131	26%	0.256	C	S	.	.	H	α-helix	trans	-71.9	-33.7	174.6	-68.3	-175.3	0	0	0	112.9	I657 V746 A748 Y752 N753 G754 W791 F794	I657-L750 HydrophobicContact CG2-CD2 4.23Å; V746-L750 HydrophobicContact CG1-CD1 3.74Å; V746-L750 WeakPolarHBondContact O-CB 3.29Å; V746-L750 VanDerWaalsContact O-CG 3.23Å; V746-L750 WeakPolarHBondContact O-CG 3.39Å; V746-L750 PolarHBondContact O-N 3.41Å; A748-L750 VanDerWaalsContact C-N 3.3Å; A748-L750 PolarHBondContact O-N 3.41Å; L750-Y752 PolarHBondContact O-N 2.93Å; L750-N753 PolarHBondContact O-N 2.93Å; L750-G754 PolarHBondContact O-N 3.07Å; L750-W791 HydrophobicContact CD1-CZ3 4.47Å; L750-W791 HydrophobicContact CD2-CE3 4.35Å; L750-W791 HydrophobicContact CD2-CH2 3.87Å; L750-W791 HydrophobicContact CD2-CZ3 3.48Å; L750-W791 VanDerWaalsContact CD2-CZ3 3.48Å; L750-F794 HydrophobicContact CD1-CD1 4.23Å; L750-F794 HydrophobicContact CD1-CE1 3.4Å; L750-F794 HydrophobicContact CD1-CZ 4.05Å
751	G	91.2	Very high	89	Confident	38 Å²	38	41.1 Å²	41.1	39%	0.392	25%	0.25	S	C	.	.	H	α-helix	trans	-60.6	-43.5	173.6	0	0	0	0	0	112	V747 A748 G754 L755	V747-G751 PolarHBondContact O-N 3.13Å; A748-G751 PolarHBondContact O-N 3.47Å; G751-G754 PolarHBondContact O-N 3.4Å; G751-L755 WeakPolarHBondContact O-CG 3.3Å; G751-L755 PolarHBondContact O-N 3.04Å
752	Y	93.7	Very high	89.2	Confident	27 Å²	27	45 Å²	45	11%	0.106	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-43.4	173.4	-174.9	-103.1	0	0	0	112.3	L706 L709 Q710 I713 A748 L750 G754 L755 L756	L706-Y752 WeakPolarHBondContact CD2-OH 3.29Å; L706-Y752 PolarHBondContact O-OH 3.39Å; L709-Y752 HydrophobicContact CD2-CE2 3.64Å; L709-Y752 HydrophobicContact CG-CE2 3.97Å; Q710-Y752 HydrophobicContact CB-CD1 3.83Å; Q710-Y752 HydrophobicContact CB-CE1 3.84Å; Q710-Y752 HydrophobicContact CG-CD1 4.23Å; Q710-Y752 VanDerWaalsContact OE1-CD1 3.29Å; I713-Y752 HydrophobicContact CD1-CD2 4.13Å; I713-Y752 HydrophobicContact CD1-CG 4.13Å; A748-Y752 PolarHBondContact O-N 2.74Å; L750-Y752 PolarHBondContact O-N 2.93Å; Y752-G754 VanDerWaalsContact C-N 3.3Å; Y752-G754 PolarHBondContact O-N 3.43Å; Y752-L755 PolarHBondContact O-N 3.29Å; Y752-L756 HydrophobicContact CD1-CD1 4.02Å; Y752-L756 HydrophobicContact CD1-CG 4.27Å; Y752-L756 HydrophobicContact CE1-CD1 3.52Å; Y752-L756 HydrophobicContact CE1-CD2 4.31Å; Y752-L756 HydrophobicContact CE1-CG 3.82Å; Y752-L756 PolarHBondContact O-N 3.05Å
753	N	90.8	Very high	89.2	Confident	1 Å²	1	46 Å²	46	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-39.3	173.7	-75.7	-32.7	0	0	0	111.9	G658 A662 Q710 P749 L750 L756 I757	G658-N753 PolarHBondContact O-ND2 3.43Å; A662-N753 WeakPolarHBondContact CA-OD1 2.81Å; A662-N753 WeakPolarHBondContact CB-OD1 3.19Å; A662-N753 PolarHBondContact N-OD1 2.87Å; A662-N753 VanDerWaalsContact N-OD1 3.14Å; Q710-N753 PolarHBondContact NE2-ND2 3.38Å; P749-N753 PolarHBondContact O-N 3.2Å; P749-N753 PolarHBondContact O-ND2 2.54Å; L750-N753 PolarHBondContact O-N 2.93Å; N753-L756 PolarHBondContact O-N 3.08Å; N753-I757 WeakPolarHBondContact O-CB 3.16Å; N753-I757 WeakPolarHBondContact O-CD1 3.27Å; N753-I757 VanDerWaalsContact O-CG1 3.23Å; N753-I757 WeakPolarHBondContact O-CG1 3.33Å; N753-I757 PolarHBondContact O-N 3.03Å
754	G	90.9	Very high	89.1	Confident	28 Å²	28	41 Å²	41	29%	0.289	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-43.8	172.4	0	0	0	0	0	113.1	L750 G751 Y752 I757 L758	L750-G754 PolarHBondContact O-N 3.07Å; G751-G754 PolarHBondContact O-N 3.4Å; Y752-G754 VanDerWaalsContact C-N 3.3Å; Y752-G754 PolarHBondContact O-N 3.43Å; G754-I757 PolarHBondContact O-N 3.38Å; G754-L758 WeakPolarHBondContact O-CB 3.37Å; G754-L758 VanDerWaalsContact O-CG 3.32Å; G754-L758 WeakPolarHBondContact O-CG 3.47Å; G754-L758 PolarHBondContact O-N 2.83Å
755	L	91.8	Very high	89	Confident	108 Å²	108	41.4 Å²	41.4	57%	0.565	23%	0.233	S	C	*	.	H	α-helix	trans	-63.6	-39.3	174.9	-69.1	172.4	0	0	0	112.4	G751 Y752 S759	G751-L755 WeakPolarHBondContact O-CG 3.3Å; G751-L755 PolarHBondContact O-N 3.04Å; Y752-L755 PolarHBondContact O-N 3.29Å; L755-S759 VanDerWaalsContact O-CB 3.29Å; L755-S759 WeakPolarHBondContact O-CB 3.29Å; L755-S759 PolarHBondContact O-N 3.23Å; L755-S759 PolarHBondContact O-OG 3.29Å
756	L	91.5	Very high	88.8	Confident	8 Å²	8	47.2 Å²	47.2	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-44.2	172.3	-74.1	-178.9	0	0	0	111.9	A662 V669 Y752 N753 S759 C760	A662-L756 HydrophobicContact CB-CD1 4.29Å; V669-L756 HydrophobicContact CG1-CD2 4.49Å; Y752-L756 HydrophobicContact CD1-CD1 4.02Å; Y752-L756 HydrophobicContact CD1-CG 4.27Å; Y752-L756 HydrophobicContact CE1-CD1 3.52Å; Y752-L756 HydrophobicContact CE1-CD2 4.31Å; Y752-L756 HydrophobicContact CE1-CG 3.82Å; Y752-L756 PolarHBondContact O-N 3.05Å; N753-L756 PolarHBondContact O-N 3.08Å; L756-S759 PolarHBondContact O-N 3.49Å; L756-C760 WeakPolarHBondContact O-CB 3.43Å; L756-C760 PolarHBondContact O-N 3.12Å; L756-C760 PolarHBondContact O-SG 3.48Å
757	I	91.4	Very high	88.3	Confident	8 Å²	8	46.7 Å²	46.7	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-49.7	177.8	-72.2	161.6	0	0	0	110.7	Y665 N753 G754 S759 C760 T761 M784 C788 W791	Y665-I757 HydrophobicContact CD1-CG1 4.24Å; Y665-I757 HydrophobicContact CD2-CD1 4.22Å; Y665-I757 HydrophobicContact CD2-CG1 3.76Å; Y665-I757 HydrophobicContact CE1-CG1 4.04Å; Y665-I757 HydrophobicContact CE2-CD1 3.62Å; Y665-I757 HydrophobicContact CE2-CG1 3.53Å; Y665-I757 HydrophobicContact CG-CG1 4.13Å; N753-I757 WeakPolarHBondContact O-CB 3.16Å; N753-I757 WeakPolarHBondContact O-CD1 3.27Å; N753-I757 VanDerWaalsContact O-CG1 3.23Å; N753-I757 WeakPolarHBondContact O-CG1 3.33Å; N753-I757 PolarHBondContact O-N 3.03Å; G754-I757 PolarHBondContact O-N 3.38Å; I757-S759 VanDerWaalsContact C-N 3.31Å; I757-S759 PolarHBondContact O-N 2.82Å; I757-C760 WeakPolarHBondContact O-CB 3.42Å; I757-C760 PolarHBondContact O-N 3.24Å; I757-T761 WeakPolarHBondContact O-CB 3.13Å; I757-T761 PolarHBondContact O-N 3.31Å; I757-T761 PolarHBondContact O-OG1 3.29Å; I757-T761 VanDerWaalsContact O-OG1 3.1Å; I757-M784 HydrophobicContact CB-CE 4.34Å; I757-M784 HydrophobicContact CG1-CE 4.5Å; I757-M784 HydrophobicContact CG2-CE 3.94Å; I757-C788 WeakPolarHBondContact CG2-SG 3.4Å; I757-W791 HydrophobicContact CD1-CB 4.21Å; I757-W791 HydrophobicContact CD1-CD2 4.42Å; I757-W791 HydrophobicContact CD1-CG 3.75Å
758	L	90	Very high	87.6	Confident	113 Å²	113	48.8 Å²	48.8	59%	0.592	25%	0.252	S	S	*	.	H	α-helix	trans	-59.5	-42.1	177.5	-71.4	169.8	0	0	0	111.6	G754 T761 F762	G754-L758 WeakPolarHBondContact O-CB 3.37Å; G754-L758 VanDerWaalsContact O-CG 3.32Å; G754-L758 WeakPolarHBondContact O-CG 3.47Å; G754-L758 PolarHBondContact O-N 2.83Å; L758-T761 PolarHBondContact O-N 3.42Å; L758-F762 WeakPolarHBondContact O-CB 3.46Å; L758-F762 PolarHBondContact O-N 3.3Å
759	S	89.8	Confident	86.6	Confident	52 Å²	52	53.7 Å²	53.7	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-43.9	175.8	-60.5	0	0	0	0	112.3	L755 L756 I757 Y763	L755-S759 VanDerWaalsContact O-CB 3.29Å; L755-S759 WeakPolarHBondContact O-CB 3.29Å; L755-S759 PolarHBondContact O-N 3.23Å; L755-S759 PolarHBondContact O-OG 3.29Å; L756-S759 PolarHBondContact O-N 3.49Å; I757-S759 VanDerWaalsContact C-N 3.31Å; I757-S759 PolarHBondContact O-N 2.82Å; S759-Y763 WeakPolarHBondContact O-CD2 3.38Å; S759-Y763 PolarHBondContact O-N 3.36Å; S759-Y763 VanDerWaalsContact O-N 3.13Å
760	C	89.1	Confident	85.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-47.9	173.5	-72.4	0	0	0	0	111.5	V669 L756 I757 Y763 A764 M784	V669-C760 WeakPolarHBondContact CB-SG 3.3Å; L756-C760 WeakPolarHBondContact O-CB 3.43Å; L756-C760 PolarHBondContact O-N 3.12Å; L756-C760 PolarHBondContact O-SG 3.48Å; I757-C760 WeakPolarHBondContact O-CB 3.42Å; I757-C760 PolarHBondContact O-N 3.24Å; C760-Y763 PolarHBondContact O-N 3.45Å; C760-A764 WeakPolarHBondContact O-CB 3.4Å; C760-A764 PolarHBondContact O-N 2.92Å; C760-M784 HydrophobicContact CB-CE 3.39Å; C760-M784 HydrophobicContact CB-CG 4.08Å; C760-M784 HydrophobicContact CB-SD 3.48Å; C760-M784 WeakPolarHBondContact CB-SD 3.3Å
761	T	89.4	Confident	84	Confident	25 Å²	25	60.4 Å²	60.4	15%	0.153	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-40.5	-178.2	-63.3	0	0	0	0	111.7	I757 L758 A764 F765 Y785 C788	I757-T761 WeakPolarHBondContact O-CB 3.13Å; I757-T761 PolarHBondContact O-N 3.31Å; I757-T761 PolarHBondContact O-OG1 3.29Å; I757-T761 VanDerWaalsContact O-OG1 3.1Å; L758-T761 PolarHBondContact O-N 3.42Å; T761-A764 PolarHBondContact O-N 2.92Å; T761-F765 VanDerWaalsContact O-CB 3.31Å; T761-F765 WeakPolarHBondContact O-CB 3.44Å; T761-F765 PolarHBondContact O-N 3.22Å; T761-Y785 HydrophobicContact CG2-CD1 4.01Å; T761-Y785 HydrophobicContact CG2-CE1 3.94Å; T761-C788 PolarHBondContact OG1-SG 2.84Å
762	F	88.8	Confident	82.2	Confident	128 Å²	128	61.1 Å²	61.1	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-60.7	-47.1	173.8	176.5	-102.5	0	0	0	112.4	L758 K766	L758-F762 WeakPolarHBondContact O-CB 3.46Å; L758-F762 PolarHBondContact O-N 3.3Å; F762-K766 WeakPolarHBondContact O-CB 3.34Å; F762-K766 PolarHBondContact O-N 3.05Å; F762-K766 VanDerWaalsContact O-N 3.15Å
763	Y	85.2	Confident	80.1	Confident	68 Å²	68	64.6 Å²	64.6	27%	0.267	34%	0.341	S	S	.	.	H	α-helix	trans	-68.1	-41.4	176	-66.7	-48.3	0	0	0	112.1	V669 N673 A676 S759 C760 F765 K766 T767	V669-Y763 HydrophobicContact CG2-CD2 3.74Å; V669-Y763 HydrophobicContact CG2-CE2 3.88Å; N673-Y763 HydrophobicContact CB-CD2 4.29Å; N673-Y763 HydrophobicContact CB-CE2 4.28Å; A676-Y763 HydrophobicContact CB-CD1 4.42Å; S759-Y763 WeakPolarHBondContact O-CD2 3.38Å; S759-Y763 PolarHBondContact O-N 3.36Å; S759-Y763 VanDerWaalsContact O-N 3.13Å; C760-Y763 PolarHBondContact O-N 3.45Å; Y763-F765 PolarHBondContact O-N 3.44Å; Y763-K766 WeakPolarHBondContact O-CB 3.27Å; Y763-K766 PolarHBondContact O-N 3.42Å; Y763-K766 VanDerWaalsContact O-N 3.17Å; Y763-T767 WeakPolarHBondContact O-CG2 3.33Å; Y763-T767 PolarHBondContact O-N 2.75Å; Y763-T767 PolarHBondContact O-OG1 3.37Å
764	A	84.3	Confident	78.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.8	-47.1	178.2	0	0	0	0	0	111.5	T672 C760 T761 K766 T767 R768 I780 A781 M784	T672-A764 HydrophobicContact CG2-CB 4.49Å; C760-A764 WeakPolarHBondContact O-CB 3.4Å; C760-A764 PolarHBondContact O-N 2.92Å; T761-A764 PolarHBondContact O-N 2.92Å; A764-K766 VanDerWaalsContact C-N 3.34Å; A764-K766 PolarHBondContact O-N 3.1Å; A764-T767 WeakPolarHBondContact CA-OG1 3.45Å; A764-T767 CarbonylContact O-C 3.58Å; A764-T767 PolarHBondContact O-N 2.98Å; A764-T767 PolarHBondContact O-OG1 3.5Å; A764-R768 PolarHBondContact O-N 2.82Å; A764-I780 HydrophobicContact CB-CG2 4.38Å; A764-A781 HydrophobicContact CB-CB 4.28Å; A764-M784 HydrophobicContact CB-CB 4.49Å; A764-M784 HydrophobicContact CB-CG 4.2Å
765	F	84.1	Confident	77.1	Confident	108 Å²	108	71.1 Å²	71.1	47%	0.474	37%	0.366	S	S	.	.	H	α-helix	trans	-55	-47.5	173	178.8	-86.4	0	0	0	111.6	T761 Y763 T767 R768	T761-F765 VanDerWaalsContact O-CB 3.31Å; T761-F765 WeakPolarHBondContact O-CB 3.44Å; T761-F765 PolarHBondContact O-N 3.22Å; Y763-F765 PolarHBondContact O-N 3.44Å; F765-T767 PolarHBondContact O-N 3.46Å; F765-R768 VanDerWaalsContact CE2-NH1 3.34Å; F765-R768 WeakPolarHBondContact O-CB 3.44Å; F765-R768 WeakPolarHBondContact O-CD 3.31Å; F765-R768 VanDerWaalsContact O-CG 3.25Å; F765-R768 WeakPolarHBondContact O-CG 3.28Å; F765-R768 PolarHBondContact O-N 3.38Å; F765-R768 VanDerWaalsContact O-N 3.15Å
766	K	81.8	Confident	76.3	Confident	130 Å²	130	68.2 Å²	68.2	57%	0.565	35%	0.35	S	S	*	.	H	α-helix	trans	-62.5	-25.4	177.4	-171	169.9	-176.3	169.2	0	113.4	F762 Y763 A764	F762-K766 WeakPolarHBondContact O-CB 3.34Å; F762-K766 PolarHBondContact O-N 3.05Å; F762-K766 VanDerWaalsContact O-N 3.15Å; Y763-K766 WeakPolarHBondContact O-CB 3.27Å; Y763-K766 PolarHBondContact O-N 3.42Å; Y763-K766 VanDerWaalsContact O-N 3.17Å; A764-K766 VanDerWaalsContact C-N 3.34Å; A764-K766 PolarHBondContact O-N 3.1Å
767	T	75.2	Confident	75.6	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-94.7	-4	176.8	59.5	0	0	0	0	115	I675 A676 L679 Y763 A764 F765 N769 V770	I675-T767 HydrophobicContact CB-CG2 4.06Å; I675-T767 HydrophobicContact CG2-CG2 3.65Å; A676-T767 HydrophobicContact CB-CG2 3.86Å; L679-T767 HydrophobicContact CD1-CG2 3.96Å; Y763-T767 WeakPolarHBondContact O-CG2 3.33Å; Y763-T767 PolarHBondContact O-N 2.75Å; Y763-T767 PolarHBondContact O-OG1 3.37Å; A764-T767 WeakPolarHBondContact CA-OG1 3.45Å; A764-T767 CarbonylContact O-C 3.58Å; A764-T767 PolarHBondContact O-N 2.98Å; A764-T767 PolarHBondContact O-OG1 3.5Å; F765-T767 PolarHBondContact O-N 3.46Å; T767-N769 PolarHBondContact O-N 2.98Å; T767-V770 WeakPolarHBondContact O-CB 3.14Å; T767-V770 WeakPolarHBondContact O-CG2 3.33Å
768	R	73.7	Confident	75.1	Confident	120 Å²	120	75.3 Å²	75.3	45%	0.453	38%	0.383	S	S	.	.	S	Bend	trans	-70	-32.3	-168.3	84.9	-166.4	179.1	157.7	-1.4	114.6	A764 F765 V770 A781	A764-R768 PolarHBondContact O-N 2.82Å; F765-R768 VanDerWaalsContact CE2-NH1 3.34Å; F765-R768 WeakPolarHBondContact O-CB 3.44Å; F765-R768 WeakPolarHBondContact O-CD 3.31Å; F765-R768 VanDerWaalsContact O-CG 3.25Å; F765-R768 WeakPolarHBondContact O-CG 3.28Å; F765-R768 PolarHBondContact O-N 3.38Å; F765-R768 VanDerWaalsContact O-N 3.15Å; R768-V770 VanDerWaalsContact C-N 3.26Å; R768-V770 PolarHBondContact O-N 3.23Å; R768-V770 VanDerWaalsContact O-N 3.15Å; R768-A781 HydrophobicContact CB-CB 4.47Å
769	N	69.6	Low	74.9	Confident	134 Å²	134	74.6 Å²	74.6	72%	0.717	37%	0.373	S	S	*	.	S	Bend	trans	-88.5	44.9	-175.6	-69.6	16.3	0	0	0	112.2	T767	T767-N769 PolarHBondContact O-N 2.98Å
770	V	64.7	Low	74.7	Confident	42 Å²	42	72.1 Å²	72.1	26%	0.255	36%	0.356	S	S	.	.			trans	-123.6	101.2	-168.3	177.4	0	0	0	0	110.6	L679 T767 R768 A772	L679-V770 HydrophobicContact CD1-CG1 4.38Å; L679-V770 HydrophobicContact CD1-CG2 3.51Å; L679-V770 HydrophobicContact CD2-CB 4.44Å; L679-V770 HydrophobicContact CD2-CG1 3.73Å; L679-V770 HydrophobicContact CD2-CG2 3.74Å; L679-V770 HydrophobicContact CG-CG2 4.27Å; T767-V770 WeakPolarHBondContact O-CB 3.14Å; T767-V770 WeakPolarHBondContact O-CG2 3.33Å; R768-V770 VanDerWaalsContact C-N 3.26Å; R768-V770 PolarHBondContact O-N 3.23Å; R768-V770 VanDerWaalsContact O-N 3.15Å; V770-A772 HydrophobicContact CG1-CB 4.13Å; V770-A772 PolarHBondContact O-N 3.22Å
771	P	57.6	Low	74.5	Confident	130 Å²	130	72.4 Å²	72.4	84%	0.844	36%	0.358	S	S	*	.			trans	-78.2	68.2	170.9	33.7	-34.3	0	0	0	110
772	A	52.5	Low	74.5	Confident	53 Å²	53	76.8 Å²	76.8	44%	0.438	38%	0.375	S	S	.	.			trans	-84.9	136.2	155.9	0	0	0	0	0	107.3	V770 F774	V770-A772 HydrophobicContact CG1-CB 4.13Å; V770-A772 PolarHBondContact O-N 3.22Å; A772-F774 PolarHBondContact O-N 2.87Å
773	N	50.5	Low	74.6	Confident	100 Å²	100	70.8 Å²	70.8	54%	0.535	35%	0.349	S	S	.	.	S	Bend	trans	-59.5	135	177.3	-71	-14.5	0	0	0	109.5	T845	N773-T845 HydrophobicContact CB-CG2 4.45Å; N773-T845 WeakPolarHBondContact ND2-CG2 3.45Å
774	F	55.1	Low	74.8	Confident	62 Å²	62	67.5 Å²	67.5	27%	0.272	34%	0.336	S	S	.	.	S	Bend	trans	74.5	115.2	-157.7	-59.5	-85.1	0	0	0	115.4	A772 E776 I830 R837 A842 F843	A772-F774 PolarHBondContact O-N 2.87Å; F774-E776 PolarHBondContact O-N 2.65Å; F774-I830 HydrophobicContact CD1-CD1 3.95Å; F774-I830 HydrophobicContact CE1-CD1 3.93Å; F774-I830 HydrophobicContact CE1-CG2 4.48Å; F774-R837 HydrophobicContact CZ-CB 4.43Å; F774-R837 WeakPolarHBondContact CZ-O 3.29Å; F774-A842 HydrophobicContact CE2-CB 3.85Å; F774-A842 HydrophobicContact CZ-CB 4.25Å; F774-F843 HydrophobicContact CB-CE1 4.47Å; F774-F843 AromaticContact CD2-CD1 3.93Å; F774-F843 HydrophobicContact CD2-CD1 3.93Å; F774-F843 HydrophobicContact CD2-CD2 4.42Å; F774-F843 AromaticContact CD2-CE1 3.38Å; F774-F843 HydrophobicContact CD2-CE1 3.38Å; F774-F843 AromaticContact CD2-CE2 3.94Å; F774-F843 HydrophobicContact CD2-CE2 3.94Å; F774-F843 HydrophobicContact CD2-CG 4.42Å; F774-F843 AromaticContact CD2-CZ 3.39Å; F774-F843 HydrophobicContact CD2-CZ 3.39Å; F774-F843 HydrophobicContact CE2-CD1 4.25Å; F774-F843 AromaticContact CE2-CD2 3.93Å; F774-F843 HydrophobicContact CE2-CD2 3.93Å; F774-F843 AromaticContact CE2-CE1 3.8Å; F774-F843 HydrophobicContact CE2-CE1 3.8Å; F774-F843 AromaticContact CE2-CE2 3.43Å; F774-F843 HydrophobicContact CE2-CE2 3.43Å; F774-F843 VanDerWaalsContact CE2-CE2 3.43Å; F774-F843 HydrophobicContact CE2-CG 4.31Å; F774-F843 AromaticContact CE2-CZ 3.36Å; F774-F843 HydrophobicContact CE2-CZ 3.36Å; F774-F843 HydrophobicContact CG-CE1 4.05Å; F774-F843 HydrophobicContact CG-CZ 4.02Å; F774-F843 AromaticContact CZ-CE2 3.98Å; F774-F843 HydrophobicContact CZ-CE2 3.98Å; F774-F843 AromaticContact CZ-CZ 3.98Å; F774-F843 HydrophobicContact CZ-CZ 3.98Å
775	N	63.6	Low	75.1	Confident	104 Å²	104	71.5 Å²	71.5	56%	0.556	35%	0.352	S	S	*	.			trans	-67	23.8	-173.9	-68	-43.4	0	0	0	116.2	A777 K778 Y779	N775-A777 VanDerWaalsContact C-N 3.31Å; N775-A777 PolarHBondContact O-N 2.62Å; N775-K778 HydrophobicContact CB-CB 4.44Å; N775-K778 WeakPolarHBondContact O-CB 3.4Å; N775-K778 PolarHBondContact O-N 3.25Å; N775-Y779 HydrophobicContact CB-CD2 4.17Å; N775-Y779 HydrophobicContact CB-CE2 3.77Å; N775-Y779 VanDerWaalsContact O-CD2 3.24Å; N775-Y779 WeakPolarHBondContact O-CD2 3.42Å; N775-Y779 PolarHBondContact O-N 2.99Å
776	E	74.9	Confident	75.4	Confident	47 Å²	47	68.2 Å²	68.2	22%	0.22	34%	0.341	C	S	.	.	H	α-helix	trans	-56.4	-39	-171.2	177	159.2	-162.7	0	0	113.4	K671 F774 K778 Y779 I780 K827	K671-E776 WeakPolarHBondContact CE-OE1 3.37Å; K671-E776 IonicContact NZ-OE1 2.85Å; K671-E776 PolarHBondContact NZ-OE1 2.91Å; F774-E776 PolarHBondContact O-N 2.65Å; E776-K778 VanDerWaalsContact C-N 3.29Å; E776-K778 PolarHBondContact O-N 3.19Å; E776-Y779 PolarHBondContact O-N 2.75Å; E776-I780 HydrophobicContact CG-CD1 3.76Å; E776-I780 HydrophobicContact CG-CG1 4.29Å; E776-I780 WeakPolarHBondContact O-CG1 3.14Å; E776-I780 PolarHBondContact O-N 2.89Å; E776-K827 WeakPolarHBondContact OE1-CE 3.21Å; E776-K827 IonicContact OE1-NZ 2.72Å; E776-K827 PolarHBondContact OE1-NZ 2.95Å; E776-K827 IonicContact OE2-NZ 3.75Å; E776-K827 PolarHBondContact OE2-NZ 3.28Å
777	A	76.5	Confident	75.9	Confident	15 Å²	15	62 Å²	62	12%	0.124	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-32	176.8	0	0	0	0	0	113.2	N775 A781	N775-A777 VanDerWaalsContact C-N 3.31Å; N775-A777 PolarHBondContact O-N 2.62Å; A777-A781 WeakPolarHBondContact O-CB 3.41Å; A777-A781 PolarHBondContact O-N 3.01Å
778	K	80.8	Confident	76.6	Confident	150 Å²	150	63.1 Å²	63.1	65%	0.652	32%	0.321	S	S	*	.	H	α-helix	trans	-70	-43.2	175.4	-175.4	179.3	177.2	180	0	110.9	N775 E776 A781 F782	N775-K778 HydrophobicContact CB-CB 4.44Å; N775-K778 WeakPolarHBondContact O-CB 3.4Å; N775-K778 PolarHBondContact O-N 3.25Å; E776-K778 VanDerWaalsContact C-N 3.29Å; E776-K778 PolarHBondContact O-N 3.19Å; K778-A781 PolarHBondContact O-N 3.14Å; K778-F782 WeakPolarHBondContact O-CB 3.34Å; K778-F782 PolarHBondContact O-N 2.7Å
779	Y	85.5	Confident	77.5	Confident	98 Å²	98	63.1 Å²	63.1	38%	0.384	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-41.8	176	-68.3	-64.2	0	0	0	112.2	N775 E776 F782 T783 P826	N775-Y779 HydrophobicContact CB-CD2 4.17Å; N775-Y779 HydrophobicContact CB-CE2 3.77Å; N775-Y779 VanDerWaalsContact O-CD2 3.24Å; N775-Y779 WeakPolarHBondContact O-CD2 3.42Å; N775-Y779 PolarHBondContact O-N 2.99Å; E776-Y779 PolarHBondContact O-N 2.75Å; Y779-F782 PolarHBondContact O-N 3.2Å; Y779-T783 WeakPolarHBondContact O-CB 3.19Å; Y779-T783 PolarHBondContact O-N 3.1Å; Y779-T783 PolarHBondContact O-OG1 2.9Å; Y779-P826 HydrophobicContact CD1-CG 3.89Å; Y779-P826 HydrophobicContact CD2-CB 4.38Å; Y779-P826 HydrophobicContact CE1-CB 4.24Å; Y779-P826 HydrophobicContact CE1-CG 3.77Å; Y779-P826 HydrophobicContact CE2-CB 4.04Å; Y779-P826 HydrophobicContact CE2-CG 4.39Å; Y779-P826 HydrophobicContact CG-CG 4.28Å
780	I	86	Confident	78.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-46.4	174.5	-64.2	162	0	0	0	111	L668 T672 I675 A764 E776 F782 T783 M784 M823	L668-I780 HydrophobicContact CD1-CG1 4.43Å; L668-I780 HydrophobicContact CD1-CG2 3.89Å; T672-I780 HydrophobicContact CG2-CG2 3.47Å; T672-I780 VanDerWaalsContact CG2-CG2 3.47Å; I675-I780 HydrophobicContact CD1-CD1 4.13Å; A764-I780 HydrophobicContact CB-CG2 4.38Å; E776-I780 HydrophobicContact CG-CD1 3.76Å; E776-I780 HydrophobicContact CG-CG1 4.29Å; E776-I780 WeakPolarHBondContact O-CG1 3.14Å; E776-I780 PolarHBondContact O-N 2.89Å; I780-F782 PolarHBondContact O-N 3.31Å; I780-T783 WeakPolarHBondContact O-CB 3.4Å; I780-T783 PolarHBondContact O-N 2.03Å; I780-M784 HydrophobicContact CG2-CG 4.46Å; I780-M784 WeakPolarHBondContact O-CG 3.49Å; I780-M784 PolarHBondContact O-N 2.71Å; I780-M823 HydrophobicContact CG1-SD 3.74Å
781	A	85.6	Confident	79.8	Confident	5 Å²	5	57 Å²	57	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-43.3	178.5	0	0	0	0	0	112.4	A764 R768 A777 K778 M784 Y785	A764-A781 HydrophobicContact CB-CB 4.28Å; R768-A781 HydrophobicContact CB-CB 4.47Å; A777-A781 WeakPolarHBondContact O-CB 3.41Å; A777-A781 PolarHBondContact O-N 3.01Å; K778-A781 PolarHBondContact O-N 3.14Å; A781-M784 PolarHBondContact O-N 3.33Å; A781-Y785 HydrophobicContact CB-CE2 4.05Å; A781-Y785 WeakPolarHBondContact O-CD2 3.49Å; A781-Y785 VanDerWaalsContact O-CG 3.25Å; A781-Y785 PolarHBondContact O-N 2.75Å
782	F	88.1	Confident	81.4	Confident	117 Å²	117	57.1 Å²	57.1	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-50.1	174.6	-176.4	-103.4	0	0	0	111.8	K778 Y779 I780 M784 Y785 T786 C822	K778-F782 WeakPolarHBondContact O-CB 3.34Å; K778-F782 PolarHBondContact O-N 2.7Å; Y779-F782 PolarHBondContact O-N 3.2Å; I780-F782 PolarHBondContact O-N 3.31Å; F782-M784 VanDerWaalsContact C-N 3.27Å; F782-M784 PolarHBondContact O-N 3.13Å; F782-Y785 PolarHBondContact O-N 2.68Å; F782-T786 PolarHBondContact O-N 2.94Å; F782-T786 VanDerWaalsContact O-N 3.08Å; F782-T786 PolarHBondContact O-OG1 2.03Å; F782-C822 HydrophobicContact CD1-CB 4.22Å
783	T	90.6	Very high	83.2	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-51.4	-48.8	175.3	-50.7	0	0	0	0	110.9	Y779 I780 T786 T787 V818 A819 C822 M823	Y779-T783 WeakPolarHBondContact O-CB 3.19Å; Y779-T783 PolarHBondContact O-N 3.1Å; Y779-T783 PolarHBondContact O-OG1 2.9Å; I780-T783 WeakPolarHBondContact O-CB 3.4Å; I780-T783 PolarHBondContact O-N 2.03Å; T783-T786 PolarHBondContact O-N 3.01Å; T783-T787 WeakPolarHBondContact O-CG2 3.44Å; T783-T787 PolarHBondContact O-N 3.2Å; T783-T787 PolarHBondContact O-OG1 2.84Å; T783-V818 HydrophobicContact CG2-CG1 4.27Å; T783-A819 HydrophobicContact CG2-CB 4.45Å; T783-C822 HydrophobicContact CG2-CB 4.29Å; T783-C822 WeakPolarHBondContact OG1-CB 3.37Å; T783-M823 HydrophobicContact CG2-CG 4.21Å; T783-M823 WeakPolarHBondContact OG1-CG 3.35Å
784	M	89.8	Confident	85.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-47.8	-178	-74	-47.9	-44.2	0	0	112.7	Y665 L668 I757 C760 A764 I780 A781 F782 T786 T787 C788	Y665-M784 HydrophobicContact CD1-CE 4.44Å; Y665-M784 HydrophobicContact CD1-SD 4.44Å; Y665-M784 HydrophobicContact CE1-CE 4.3Å; Y665-M784 HydrophobicContact CE1-SD 4.42Å; L668-M784 HydrophobicContact CD2-SD 3.54Å; L668-M784 VanDerWaalsContact CD2-SD 3.54Å; L668-M784 HydrophobicContact CG-SD 4.3Å; I757-M784 HydrophobicContact CB-CE 4.34Å; I757-M784 HydrophobicContact CG1-CE 4.5Å; I757-M784 HydrophobicContact CG2-CE 3.94Å; C760-M784 HydrophobicContact CB-CE 3.39Å; C760-M784 HydrophobicContact CB-CG 4.08Å; C760-M784 HydrophobicContact CB-SD 3.48Å; C760-M784 WeakPolarHBondContact CB-SD 3.3Å; A764-M784 HydrophobicContact CB-CB 4.49Å; A764-M784 HydrophobicContact CB-CG 4.2Å; I780-M784 HydrophobicContact CG2-CG 4.46Å; I780-M784 WeakPolarHBondContact O-CG 3.49Å; I780-M784 PolarHBondContact O-N 2.71Å; A781-M784 PolarHBondContact O-N 3.33Å; F782-M784 VanDerWaalsContact C-N 3.27Å; F782-M784 PolarHBondContact O-N 3.13Å; M784-T786 VanDerWaalsContact C-N 3.33Å; M784-T786 PolarHBondContact O-N 3.45Å; M784-T787 WeakPolarHBondContact CA-OG1 3.3Å; M784-T787 PolarHBondContact O-N 3.1Å; M784-T787 PolarHBondContact O-OG1 3.47Å; M784-C788 PolarHBondContact O-N 3.5Å; M784-C788 PolarHBondContact O-SG 3.12Å; M784-C788 VanDerWaalsContact O-SG 3.34Å
785	Y	90.6	Very high	86.7	Confident	83 Å²	83	52.8 Å²	52.8	33%	0.325	27%	0.266	S	S	.	.	H	α-helix	trans	-59.7	-43	178.8	-57.7	-41.3	0	0	0	112	T761 A781 F782 C788 I789	T761-Y785 HydrophobicContact CG2-CD1 4.01Å; T761-Y785 HydrophobicContact CG2-CE1 3.94Å; A781-Y785 HydrophobicContact CB-CE2 4.05Å; A781-Y785 WeakPolarHBondContact O-CD2 3.49Å; A781-Y785 VanDerWaalsContact O-CG 3.25Å; A781-Y785 PolarHBondContact O-N 2.75Å; F782-Y785 PolarHBondContact O-N 2.68Å; Y785-C788 WeakPolarHBondContact O-CB 3.31Å; Y785-C788 PolarHBondContact O-N 2.71Å; Y785-I789 PolarHBondContact O-N 3.5Å
786	T	91.8	Very high	88	Confident	39 Å²	39	51.9 Å²	51.9	24%	0.239	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-42.2	176.4	-54.4	0	0	0	0	111.6	F782 T783 M784 C788 I789 I790 V818	F782-T786 PolarHBondContact O-N 2.94Å; F782-T786 VanDerWaalsContact O-N 3.08Å; F782-T786 PolarHBondContact O-OG1 2.03Å; T783-T786 PolarHBondContact O-N 3.01Å; M784-T786 VanDerWaalsContact C-N 3.33Å; M784-T786 PolarHBondContact O-N 3.45Å; T786-C788 PolarHBondContact O-N 2.82Å; T786-I789 PolarHBondContact O-N 2.77Å; T786-I790 HydrophobicContact CG2-CD1 4.25Å; T786-I790 WeakPolarHBondContact O-CG1 3.38Å; T786-I790 PolarHBondContact O-N 3.33Å; T786-V818 HydrophobicContact CG2-CB 4.43Å; T786-V818 HydrophobicContact CG2-CG1 3.74Å; T786-V818 HydrophobicContact CG2-CG2 3.78Å
787	T	90.5	Very high	88.8	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-34.6	175.3	56.5	0	0	0	0	113.2	Y665 T783 M784 I789 I790 W791 V818	Y665-T787 HydrophobicContact CE1-CG2 4.44Å; Y665-T787 WeakPolarHBondContact OH-CB 3.3Å; Y665-T787 WeakPolarHBondContact OH-CG2 3.17Å; T783-T787 WeakPolarHBondContact O-CG2 3.44Å; T783-T787 PolarHBondContact O-N 3.2Å; T783-T787 PolarHBondContact O-OG1 2.84Å; M784-T787 WeakPolarHBondContact CA-OG1 3.3Å; M784-T787 PolarHBondContact O-N 3.1Å; M784-T787 PolarHBondContact O-OG1 3.47Å; T787-I789 VanDerWaalsContact C-N 3.31Å; T787-I789 PolarHBondContact O-N 3.32Å; T787-I790 PolarHBondContact O-N 2.74Å; T787-W791 VanDerWaalsContact O-CD1 3.26Å; T787-W791 PolarHBondContact O-N 3.12Å; T787-V818 HydrophobicContact CG2-CG1 3.98Å
788	C	90.9	Very high	89.4	Confident	24 Å²	24	53.9 Å²	53.9	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-42.7	173.3	-70.1	0	0	0	0	111.8	I757 T761 M784 Y785 T786 L792	I757-C788 WeakPolarHBondContact CG2-SG 3.4Å; T761-C788 PolarHBondContact OG1-SG 2.84Å; M784-C788 PolarHBondContact O-N 3.5Å; M784-C788 PolarHBondContact O-SG 3.12Å; M784-C788 VanDerWaalsContact O-SG 3.34Å; Y785-C788 WeakPolarHBondContact O-CB 3.31Å; Y785-C788 PolarHBondContact O-N 2.71Å; T786-C788 PolarHBondContact O-N 2.82Å; C788-L792 WeakPolarHBondContact O-CB 3.22Å; C788-L792 VanDerWaalsContact O-CG 3.24Å; C788-L792 WeakPolarHBondContact O-CG 3.43Å; C788-L792 PolarHBondContact O-N 2.9Å
789	I	92.9	Very high	89.7	Confident	119 Å²	119	51.3 Å²	51.3	61%	0.61	26%	0.263	S	S	*	.	H	α-helix	trans	-64.6	-45.1	179.5	-64.6	166.3	0	0	0	110.6	Y785 T786 T787 L792 A793	Y785-I789 PolarHBondContact O-N 3.5Å; T786-I789 PolarHBondContact O-N 2.77Å; T787-I789 VanDerWaalsContact C-N 3.31Å; T787-I789 PolarHBondContact O-N 3.32Å; I789-L792 PolarHBondContact O-N 3.18Å; I789-A793 WeakPolarHBondContact O-CB 3.46Å; I789-A793 PolarHBondContact O-N 3.35Å
790	I	92.7	Very high	89.7	Confident	20 Å²	20	50.1 Å²	50.1	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-49.4	178.8	-66	163.5	0	0	0	111.1	T786 T787 L792 A793 F794 L814 V818	T786-I790 HydrophobicContact CG2-CD1 4.25Å; T786-I790 WeakPolarHBondContact O-CG1 3.38Å; T786-I790 PolarHBondContact O-N 3.33Å; T787-I790 PolarHBondContact O-N 2.74Å; I790-L792 PolarHBondContact O-N 2.95Å; I790-A793 PolarHBondContact O-N 3.42Å; I790-F794 PolarHBondContact O-N 3.44Å; I790-L814 HydrophobicContact CD1-CD2 3.98Å; I790-L814 HydrophobicContact CD1-CG 3.83Å; I790-L814 HydrophobicContact CG1-CD2 4.02Å; I790-L814 HydrophobicContact CG1-CG 4.42Å; I790-V818 HydrophobicContact CD1-CB 4.48Å; I790-V818 HydrophobicContact CD1-CG2 3.87Å
791	W	90.3	Very high	89.7	Confident	27 Å²	27	51.3 Å²	51.3	10%	0.102	29%	0.289	C	S	.	.	H	α-helix	trans	-72.6	-26.5	-177.6	-75.1	105.1	0	0	0	113.7	P661 Y665 L750 I757 T787 F794 V812 S815	P661-W791 HydrophobicContact CB-CZ2 4.32Å; P661-W791 HydrophobicContact CG-CH2 4.36Å; P661-W791 HydrophobicContact CG-CZ2 4.03Å; Y665-W791 PolarHBondContact OH-NE1 3.05Å; L750-W791 HydrophobicContact CD1-CZ3 4.47Å; L750-W791 HydrophobicContact CD2-CE3 4.35Å; L750-W791 HydrophobicContact CD2-CH2 3.87Å; L750-W791 HydrophobicContact CD2-CZ3 3.48Å; L750-W791 VanDerWaalsContact CD2-CZ3 3.48Å; I757-W791 HydrophobicContact CD1-CB 4.21Å; I757-W791 HydrophobicContact CD1-CD2 4.42Å; I757-W791 HydrophobicContact CD1-CG 3.75Å; T787-W791 VanDerWaalsContact O-CD1 3.26Å; T787-W791 PolarHBondContact O-N 3.12Å; W791-F794 HydrophobicContact CE3-CB 4.46Å; W791-F794 HydrophobicContact CE3-CD1 4.24Å; W791-F794 HydrophobicContact CE3-CG 4.4Å; W791-F794 HydrophobicContact CZ3-CD1 4.26Å; W791-F794 HydrophobicContact CZ3-CG 4.45Å; W791-V812 HydrophobicContact CH2-CG2 4.22Å; W791-S815 PolarHBondContact NE1-OG 2.84Å; W791-S815 VanDerWaalsContact NE1-OG 3.1Å
792	L	89.7	Confident	89.4	Confident	134 Å²	134	58.3 Å²	58.3	70%	0.702	33%	0.326	S	S	*	.	H	α-helix	trans	-72.3	-37.5	169.9	-73.3	170.4	0	0	0	112.1	C788 I789 I790 P796	C788-L792 WeakPolarHBondContact O-CB 3.22Å; C788-L792 VanDerWaalsContact O-CG 3.24Å; C788-L792 WeakPolarHBondContact O-CG 3.43Å; C788-L792 PolarHBondContact O-N 2.9Å; I789-L792 PolarHBondContact O-N 3.18Å; I790-L792 PolarHBondContact O-N 2.95Å; L792-P796 VanDerWaalsContact O-CD 3.27Å; L792-P796 WeakPolarHBondContact O-CD 3.38Å
793	A	91.4	Very high	89.1	Confident	44 Å²	44	59.6 Å²	59.6	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-72.3	-32.8	176.8	0	0	0	0	0	112.9	I789 I790 V795 P796 I797	I789-A793 WeakPolarHBondContact O-CB 3.46Å; I789-A793 PolarHBondContact O-N 3.35Å; I790-A793 PolarHBondContact O-N 3.42Å; A793-V795 PolarHBondContact O-N 3.11Å; A793-P796 WeakPolarHBondContact O-CD 3.36Å; A793-P796 WeakPolarHBondContact O-CG 3.42Å; A793-I797 WeakPolarHBondContact O-CD1 3.46Å; A793-I797 VanDerWaalsContact O-CG1 3.29Å; A793-I797 WeakPolarHBondContact O-CG1 3.4Å
794	F	90.7	Very high	88.9	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-55.7	-46	178.4	166.8	-97.3	0	0	0	113	L750 I790 W791 I797 Y798 T807 M808 S811	L750-F794 HydrophobicContact CD1-CD1 4.23Å; L750-F794 HydrophobicContact CD1-CE1 3.4Å; L750-F794 HydrophobicContact CD1-CZ 4.05Å; I790-F794 PolarHBondContact O-N 3.44Å; W791-F794 HydrophobicContact CE3-CB 4.46Å; W791-F794 HydrophobicContact CE3-CD1 4.24Å; W791-F794 HydrophobicContact CE3-CG 4.4Å; W791-F794 HydrophobicContact CZ3-CD1 4.26Å; W791-F794 HydrophobicContact CZ3-CG 4.45Å; F794-I797 PolarHBondContact O-N 2.98Å; F794-Y798 HydrophobicContact CE1-CD2 4.48Å; F794-Y798 HydrophobicContact CE1-CG 4.17Å; F794-Y798 AromaticContact CE2-CD2 3.7Å; F794-Y798 HydrophobicContact CE2-CD2 3.7Å; F794-Y798 HydrophobicContact CE2-CG 4.02Å; F794-Y798 HydrophobicContact CZ-CD1 4.4Å; F794-Y798 AromaticContact CZ-CD2 3.46Å; F794-Y798 HydrophobicContact CZ-CD2 3.46Å; F794-Y798 VanDerWaalsContact CZ-CD2 3.46Å; F794-Y798 HydrophobicContact CZ-CE2 4.24Å; F794-Y798 AromaticContact CZ-CG 3.56Å; F794-Y798 HydrophobicContact CZ-CG 3.56Å; F794-Y798 WeakPolarHBondContact O-CB 3.45Å; F794-Y798 PolarHBondContact O-N 2.93Å; F794-T807 HydrophobicContact CD2-CG2 4.16Å; F794-T807 HydrophobicContact CE2-CG2 4.31Å; F794-M808 HydrophobicContact CE2-CB 4.19Å; F794-M808 HydrophobicContact CE2-CG 4.33Å; F794-S811 WeakPolarHBondContact CD2-OG 3Å
795	V	88.3	Confident	88.8	Confident	74 Å²	74	66.2 Å²	66.2	45%	0.448	36%	0.359	S	S	.	.	H	α-helix	trans	-56.7	-56	-171.4	177	0	0	0	0	113.2	A793 I797 Y798 F799	A793-V795 PolarHBondContact O-N 3.11Å; V795-I797 VanDerWaalsContact C-N 3.34Å; V795-I797 PolarHBondContact O-N 3.29Å; V795-Y798 PolarHBondContact O-N 3.02Å; V795-F799 HydrophobicContact CG1-CD2 4.11Å; V795-F799 HydrophobicContact CG1-CE2 4.23Å; V795-F799 VanDerWaalsContact O-CD2 3.32Å; V795-F799 WeakPolarHBondContact O-CD2 3.35Å; V795-F799 PolarHBondContact O-N 2.94Å
796	P	90.7	Very high	88.8	Confident	84 Å²	84	63 Å²	63	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-65.1	-34.8	178.8	25.1	-34.6	0	0	0	113.1	L792 A793 G800	L792-P796 VanDerWaalsContact O-CD 3.27Å; L792-P796 WeakPolarHBondContact O-CD 3.38Å; A793-P796 WeakPolarHBondContact O-CD 3.36Å; A793-P796 WeakPolarHBondContact O-CG 3.42Å; P796-G800 PolarHBondContact O-N 3.44Å
797	I	91.3	Very high	88.7	Confident	91 Å²	91	62.2 Å²	62.2	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-69.5	-39.2	-179.7	-56.4	169.2	0	0	0	110.6	A793 F794 V795 S801 T807	A793-I797 WeakPolarHBondContact O-CD1 3.46Å; A793-I797 VanDerWaalsContact O-CG1 3.29Å; A793-I797 WeakPolarHBondContact O-CG1 3.4Å; F794-I797 PolarHBondContact O-N 2.98Å; V795-I797 VanDerWaalsContact C-N 3.34Å; V795-I797 PolarHBondContact O-N 3.29Å; I797-S801 WeakPolarHBondContact O-CB 3.47Å; I797-S801 PolarHBondContact O-N 3.46Å; I797-S801 PolarHBondContact O-OG 3.2Å; I797-T807 HydrophobicContact CB-CG2 4.02Å; I797-T807 HydrophobicContact CG2-CG2 3.56Å
798	Y	89.1	Confident	88.6	Confident	13 Å²	13	62.5 Å²	62.5	5%	0.051	34%	0.343	C	S	.	.	H	α-helix	trans	-66.4	-40.9	178.6	-176.7	-91.6	0	0	0	112.8	V746 F794 V795 K804 M808	V746-Y798 HydrophobicContact CG1-CE1 4.01Å; F794-Y798 HydrophobicContact CE1-CD2 4.48Å; F794-Y798 HydrophobicContact CE1-CG 4.17Å; F794-Y798 AromaticContact CE2-CD2 3.7Å; F794-Y798 HydrophobicContact CE2-CD2 3.7Å; F794-Y798 HydrophobicContact CE2-CG 4.02Å; F794-Y798 HydrophobicContact CZ-CD1 4.4Å; F794-Y798 AromaticContact CZ-CD2 3.46Å; F794-Y798 HydrophobicContact CZ-CD2 3.46Å; F794-Y798 VanDerWaalsContact CZ-CD2 3.46Å; F794-Y798 HydrophobicContact CZ-CE2 4.24Å; F794-Y798 AromaticContact CZ-CG 3.56Å; F794-Y798 HydrophobicContact CZ-CG 3.56Å; F794-Y798 WeakPolarHBondContact O-CB 3.45Å; F794-Y798 PolarHBondContact O-N 2.93Å; V795-Y798 PolarHBondContact O-N 3.02Å; Y798-K804 HydrophobicContact CD2-CB 4.16Å; Y798-K804 HydrophobicContact CE2-CB 3.67Å; Y798-K804 HydrophobicContact CE2-CG 4.31Å; Y798-M808 HydrophobicContact CE2-CE 4.31Å; Y798-M808 HydrophobicContact CE2-SD 4.13Å
799	F	87.9	Confident	88.6	Confident	97 Å²	97	61.4 Å²	61.4	43%	0.425	34%	0.336	S	S	.	.	H	α-helix	trans	-82.6	-27	178.8	-72.1	-65.1	0	0	0	113.8	N743 V747 V795	N743-F799 HydrophobicContact CB-CE1 4.49Å; V747-F799 HydrophobicContact CG2-CE2 4.31Å; V747-F799 HydrophobicContact CG2-CZ 3.77Å; V795-F799 HydrophobicContact CG1-CD2 4.11Å; V795-F799 HydrophobicContact CG1-CE2 4.23Å; V795-F799 VanDerWaalsContact O-CD2 3.32Å; V795-F799 WeakPolarHBondContact O-CD2 3.35Å; V795-F799 PolarHBondContact O-N 2.94Å
800	G	84.8	Confident	88.5	Confident	72 Å²	72	59.3 Å²	59.3	74%	0.742	32%	0.323	S	S	*	.	S	Bend	trans	-89.3	3.4	-179.2	0	0	0	0	0	115.9	P796	P796-G800 PolarHBondContact O-N 3.44Å
801	S	85.5	Confident	88.4	Confident	27 Å²	27	59.2 Å²	59.2	19%	0.189	32%	0.324	C	S	.	.			trans	-132.4	155.5	-177.1	69.9	0	0	0	0	113.5	I797 K804	I797-S801 WeakPolarHBondContact O-CB 3.47Å; I797-S801 PolarHBondContact O-N 3.46Å; I797-S801 PolarHBondContact O-OG 3.2Å; S801-K804 WeakPolarHBondContact O-CE 3.35Å; S801-K804 VanDerWaalsContact O-CG 3.3Å; S801-K804 WeakPolarHBondContact O-CG 3.45Å
802	N	79.2	Confident	88.5	Confident	152 Å²	152	58.4 Å²	58.4	81%	0.813	32%	0.322	S	S	*	.	S	Bend	trans	-80.5	-25.3	173	-64.8	-15.5	0	0	0	111.7	K804	N802-K804 PolarHBondContact O-N 3.17Å
803	Y	82.5	Confident	88.6	Confident	144 Å²	144	52 Å²	52	57%	0.565	29%	0.288	S	S	*	.			trans	-78.9	36.6	-177.4	-59.4	-67.4	0	0	0	114.5	I805 I806 T807	Y803-I805 VanDerWaalsContact C-N 3.29Å; Y803-I805 PolarHBondContact O-N 3.32Å; Y803-I805 VanDerWaalsContact O-N 3.14Å; Y803-I806 HydrophobicContact CD1-CD1 3.91Å; Y803-I806 HydrophobicContact CG-CD1 4.42Å; Y803-I806 WeakPolarHBondContact O-CB 3.42Å; Y803-I806 PolarHBondContact O-N 3.27Å; Y803-T807 PolarHBondContact O-N 3.33Å; Y803-T807 PolarHBondContact O-OG1 2.92Å
804	K	87	Confident	88.7	Confident	86 Å²	86	53.7 Å²	53.7	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-49.4	-43.7	-171.4	-65.3	175.7	-177.3	163.8	0	113.8	Y798 S801 N802 M808	Y798-K804 HydrophobicContact CD2-CB 4.16Å; Y798-K804 HydrophobicContact CE2-CB 3.67Å; Y798-K804 HydrophobicContact CE2-CG 4.31Å; S801-K804 WeakPolarHBondContact O-CE 3.35Å; S801-K804 VanDerWaalsContact O-CG 3.3Å; S801-K804 WeakPolarHBondContact O-CG 3.45Å; N802-K804 PolarHBondContact O-N 3.17Å; K804-M808 VanDerWaalsContact O-CB 3.31Å; K804-M808 WeakPolarHBondContact O-CB 3.41Å; K804-M808 PolarHBondContact O-N 3.37Å; K804-M808 VanDerWaalsContact O-N 3.13Å
805	I	87.8	Confident	88.8	Confident	54 Å²	54	53.8 Å²	53.8	28%	0.277	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-42.5	179.2	-58.2	-57.5	0	0	0	111.6	L579 L641 Y803 M808 C809	L579-I805 HydrophobicContact CD2-CG2 4.1Å; L641-I805 HydrophobicContact CB-CG2 4.11Å; L641-I805 VanDerWaalsContact O-CG2 3.23Å; L641-I805 WeakPolarHBondContact O-CG2 3.39Å; Y803-I805 VanDerWaalsContact C-N 3.29Å; Y803-I805 PolarHBondContact O-N 3.32Å; Y803-I805 VanDerWaalsContact O-N 3.14Å; I805-M808 HydrophobicContact CD1-CE 4.21Å; I805-M808 PolarHBondContact O-N 3.09Å; I805-C809 PolarHBondContact O-N 3.47Å; I805-C809 PolarHBondContact O-SG 3.16Å
806	I	89.4	Confident	89	Confident	17 Å²	17	50.7 Å²	50.7	9%	0.087	28%	0.275	C	S	.	.	H	α-helix	trans	-69.7	-48.4	-177	-53.3	178.7	0	0	0	109.7	L579 E585 Y803 M808 C809 F810	L579-I806 HydrophobicContact CD1-CD1 3.92Å; L579-I806 HydrophobicContact CD1-CG1 4.32Å; L579-I806 HydrophobicContact CD2-CD1 4.47Å; L579-I806 HydrophobicContact CD2-CG1 3.96Å; E585-I806 HydrophobicContact CB-CD1 4.19Å; E585-I806 WeakPolarHBondContact OE2-CD1 3.28Å; Y803-I806 HydrophobicContact CD1-CD1 3.91Å; Y803-I806 HydrophobicContact CG-CD1 4.42Å; Y803-I806 WeakPolarHBondContact O-CB 3.42Å; Y803-I806 PolarHBondContact O-N 3.27Å; I806-M808 PolarHBondContact O-N 3.12Å; I806-C809 WeakPolarHBondContact O-CB 3.35Å; I806-C809 PolarHBondContact O-N 2.88Å; I806-C809 VanDerWaalsContact O-N 3.17Å; I806-F810 HydrophobicContact CG2-CD2 3.83Å; I806-F810 HydrophobicContact CG2-CE2 3.71Å; I806-F810 WeakPolarHBondContact O-CD2 3.46Å; I806-F810 PolarHBondContact O-N 3.18Å
807	T	89.8	Confident	89.1	Confident	21 Å²	21	48.1 Å²	48.1	13%	0.129	26%	0.257	C	S	.	.	H	α-helix	trans	-52.4	-42.4	173	-56.8	0	0	0	0	111.8	F794 I797 Y803 S811	F794-T807 HydrophobicContact CD2-CG2 4.16Å; F794-T807 HydrophobicContact CE2-CG2 4.31Å; I797-T807 HydrophobicContact CB-CG2 4.02Å; I797-T807 HydrophobicContact CG2-CG2 3.56Å; Y803-T807 PolarHBondContact O-N 3.33Å; Y803-T807 PolarHBondContact O-OG1 2.92Å; T807-S811 VanDerWaalsContact O-CB 3.31Å; T807-S811 WeakPolarHBondContact O-CB 3.02Å; T807-S811 PolarHBondContact O-N 2.77Å; T807-S811 PolarHBondContact O-OG 2.8Å
808	M	89.3	Confident	89.3	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-70.6	-40.7	-179.7	-168.3	158	54.3	0	0	112.6	L641 I657 F794 Y798 K804 I805 I806 S811 V812	L641-M808 HydrophobicContact CD2-CB 4.07Å; L641-M808 HydrophobicContact CD2-CE 3.83Å; L641-M808 HydrophobicContact CD2-CG 3.87Å; I657-M808 HydrophobicContact CD1-CE 3.53Å; I657-M808 HydrophobicContact CD1-CG 4.45Å; I657-M808 HydrophobicContact CD1-SD 3.49Å; I657-M808 WeakPolarHBondContact CD1-SD 3.28Å; I657-M808 HydrophobicContact CG1-CE 4.39Å; I657-M808 HydrophobicContact CG1-CG 4.35Å; I657-M808 HydrophobicContact CG1-SD 3.92Å; I657-M808 HydrophobicContact CG2-SD 4Å; F794-M808 HydrophobicContact CE2-CB 4.19Å; F794-M808 HydrophobicContact CE2-CG 4.33Å; Y798-M808 HydrophobicContact CE2-CE 4.31Å; Y798-M808 HydrophobicContact CE2-SD 4.13Å; K804-M808 VanDerWaalsContact O-CB 3.31Å; K804-M808 WeakPolarHBondContact O-CB 3.41Å; K804-M808 PolarHBondContact O-N 3.37Å; K804-M808 VanDerWaalsContact O-N 3.13Å; I805-M808 HydrophobicContact CD1-CE 4.21Å; I805-M808 PolarHBondContact O-N 3.09Å; I806-M808 PolarHBondContact O-N 3.12Å; M808-S811 PolarHBondContact O-N 3.06Å; M808-V812 WeakPolarHBondContact O-CG2 3.1Å; M808-V812 PolarHBondContact O-N 3.33Å; M808-V812 VanDerWaalsContact O-N 3.09Å
809	C	90.5	Very high	89.3	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-57.8	-50.8	173.6	-68.3	0	0	0	0	112.1	A589 T638 L641 I805 I806 S813	A589-C809 HydrophobicContact CB-CB 4.24Å; T638-C809 HydrophobicContact CG2-CB 4.43Å; L641-C809 WeakPolarHBondContact CB-SG 3.25Å; I805-C809 PolarHBondContact O-N 3.47Å; I805-C809 PolarHBondContact O-SG 3.16Å; I806-C809 WeakPolarHBondContact O-CB 3.35Å; I806-C809 PolarHBondContact O-N 2.88Å; I806-C809 VanDerWaalsContact O-N 3.17Å; C809-S813 VanDerWaalsContact O-CB 3.3Å; C809-S813 WeakPolarHBondContact O-CB 3.4Å; C809-S813 PolarHBondContact O-N 3.27Å; C809-S813 VanDerWaalsContact O-N 3.12Å; C809-S813 PolarHBondContact O-OG 3.41Å
810	F	91	Very high	89.5	Confident	75 Å²	75	40.2 Å²	40.2	33%	0.329	22%	0.223	S	C	.	.	H	α-helix	trans	-64.9	-42.2	179.5	-80.8	-69.5	0	0	0	112.2	A588 A589 I806 S813 L814	A588-F810 HydrophobicContact CB-CZ 4.02Å; A589-F810 HydrophobicContact CB-CD2 4.42Å; A589-F810 HydrophobicContact CB-CE1 4.21Å; A589-F810 HydrophobicContact CB-CE2 3.94Å; A589-F810 HydrophobicContact CB-CZ 3.82Å; I806-F810 HydrophobicContact CG2-CD2 3.83Å; I806-F810 HydrophobicContact CG2-CE2 3.71Å; I806-F810 WeakPolarHBondContact O-CD2 3.46Å; I806-F810 PolarHBondContact O-N 3.18Å; F810-S813 PolarHBondContact O-N 3.1Å; F810-L814 WeakPolarHBondContact O-CB 3.5Å; F810-L814 PolarHBondContact O-N 3.13Å
811	S	90.8	Very high	89.8	Confident	18 Å²	18	39.7 Å²	39.7	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-67.5	-43.3	-175.9	-57.9	0	0	0	0	112.7	F794 T807 M808 S815	F794-S811 WeakPolarHBondContact CD2-OG 3Å; T807-S811 VanDerWaalsContact O-CB 3.31Å; T807-S811 WeakPolarHBondContact O-CB 3.02Å; T807-S811 PolarHBondContact O-N 2.77Å; T807-S811 PolarHBondContact O-OG 2.8Å; M808-S811 PolarHBondContact O-N 3.06Å; S811-S815 WeakPolarHBondContact O-CB 3.34Å; S811-S815 PolarHBondContact O-N 2.96Å; S811-S815 VanDerWaalsContact O-N 3.08Å
812	V	91.1	Very high	90	Very high	10 Å²	10	39.4 Å²	39.4	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-47.3	174.3	172.8	0	0	0	0	110.5	W791 M808 L814 S815 A816	W791-V812 HydrophobicContact CH2-CG2 4.22Å; M808-V812 WeakPolarHBondContact O-CG2 3.1Å; M808-V812 PolarHBondContact O-N 3.33Å; M808-V812 VanDerWaalsContact O-N 3.09Å; V812-L814 PolarHBondContact O-N 3.3Å; V812-S815 PolarHBondContact O-N 3.01Å; V812-A816 PolarHBondContact O-N 2.8Å
813	S	93.1	Very high	90.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-43	-179.2	-56	0	0	0	0	112.6	T638 C809 F810 A816 T817	T638-S813 WeakPolarHBondContact CG2-OG 3.2Å; C809-S813 VanDerWaalsContact O-CB 3.3Å; C809-S813 WeakPolarHBondContact O-CB 3.4Å; C809-S813 PolarHBondContact O-N 3.27Å; C809-S813 VanDerWaalsContact O-N 3.12Å; C809-S813 PolarHBondContact O-OG 3.41Å; F810-S813 PolarHBondContact O-N 3.1Å; S813-A816 PolarHBondContact O-N 2.76Å; S813-T817 WeakPolarHBondContact O-CB 3.39Å; S813-T817 PolarHBondContact O-N 2.9Å; S813-T817 PolarHBondContact O-OG1 2.87Å
814	L	92.9	Very high	90.7	Very high	80 Å²	80	26 Å²	26	42%	0.419	14%	0.143	S	C	.	.	H	α-helix	trans	-65.7	-40.6	179	-174.6	66.3	0	0	0	110.9	F592 I790 F810 V812 A816 T817 V818	F592-L814 HydrophobicContact CZ-CD1 4.41Å; I790-L814 HydrophobicContact CD1-CD2 3.98Å; I790-L814 HydrophobicContact CD1-CG 3.83Å; I790-L814 HydrophobicContact CG1-CD2 4.02Å; I790-L814 HydrophobicContact CG1-CG 4.42Å; F810-L814 WeakPolarHBondContact O-CB 3.5Å; F810-L814 PolarHBondContact O-N 3.13Å; V812-L814 PolarHBondContact O-N 3.3Å; L814-A816 VanDerWaalsContact C-N 3.34Å; L814-A816 PolarHBondContact O-N 2.68Å; L814-T817 PolarHBondContact O-N 2.96Å; L814-V818 WeakPolarHBondContact O-CB 3.15Å; L814-V818 WeakPolarHBondContact O-CG2 3.42Å; L814-V818 PolarHBondContact O-N 3.46Å
815	S	92.1	Very high	90.8	Very high	8 Å²	8	25.4 Å²	25.4	6%	0.056	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-40.2	173.7	-171.8	0	0	0	0	112.1	Y665 W791 S811 V812 A819	Y665-S815 PolarHBondContact OH-OG 3.27Å; W791-S815 PolarHBondContact NE1-OG 2.84Å; W791-S815 VanDerWaalsContact NE1-OG 3.1Å; S811-S815 WeakPolarHBondContact O-CB 3.34Å; S811-S815 PolarHBondContact O-N 2.96Å; S811-S815 VanDerWaalsContact O-N 3.08Å; V812-S815 PolarHBondContact O-N 3.01Å; S815-A819 PolarHBondContact O-N 3.02Å; S815-A819 VanDerWaalsContact O-N 3.15Å
816	A	92.8	Very high	90.7	Very high	9 Å²	9	24.1 Å²	24.1	7%	0.074	14%	0.142	C	C	.	.	H	α-helix	trans	-66.3	-45	174.4	0	0	0	0	0	112.1	I631 Y635 V812 S813 L814 V818 A819 L820	I631-A816 HydrophobicContact CG2-CB 4.32Å; Y635-A816 HydrophobicContact CE1-CB 4.01Å; Y635-A816 HydrophobicContact CE2-CB 4.12Å; V812-A816 PolarHBondContact O-N 2.8Å; S813-A816 PolarHBondContact O-N 2.76Å; L814-A816 VanDerWaalsContact C-N 3.34Å; L814-A816 PolarHBondContact O-N 2.68Å; A816-V818 PolarHBondContact O-N 3.32Å; A816-A819 PolarHBondContact O-N 2.97Å; A816-L820 WeakPolarHBondContact O-CB 3.3Å; A816-L820 PolarHBondContact O-N 2.71Å
817	T	94.3	Very high	90.5	Very high	30 Å²	30	24.2 Å²	24.2	18%	0.184	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-41.7	177.1	-60.9	0	0	0	0	111.8	F592 Y635 S813 L814 L820 C821	F592-T817 HydrophobicContact CZ-CG2 4.19Å; F592-T817 WeakPolarHBondContact CZ-OG1 3.4Å; Y635-T817 WeakPolarHBondContact OH-CA 3.16Å; Y635-T817 WeakPolarHBondContact OH-CB 3.41Å; Y635-T817 PolarHBondContact OH-N 3.42Å; Y635-T817 VanDerWaalsContact OH-N 3.12Å; Y635-T817 PolarHBondContact OH-OG1 3.48Å; S813-T817 WeakPolarHBondContact O-CB 3.39Å; S813-T817 PolarHBondContact O-N 2.9Å; S813-T817 PolarHBondContact O-OG1 2.87Å; L814-T817 PolarHBondContact O-N 2.96Å; T817-L820 PolarHBondContact O-N 3.18Å; T817-C821 VanDerWaalsContact O-CB 3.26Å; T817-C821 WeakPolarHBondContact O-CB 3.12Å; T817-C821 PolarHBondContact O-N 2.84Å; T817-C821 PolarHBondContact O-SG 2.78Å; T817-C821 VanDerWaalsContact O-SG 3.37Å
818	V	93.8	Very high	90.4	Very high	18 Å²	18	23.9 Å²	23.9	11%	0.109	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-43.8	174.3	165.3	0	0	0	0	111.3	T783 T786 T787 I790 L814 A816 C822	T783-V818 HydrophobicContact CG2-CG1 4.27Å; T786-V818 HydrophobicContact CG2-CB 4.43Å; T786-V818 HydrophobicContact CG2-CG1 3.74Å; T786-V818 HydrophobicContact CG2-CG2 3.78Å; T787-V818 HydrophobicContact CG2-CG1 3.98Å; I790-V818 HydrophobicContact CD1-CB 4.48Å; I790-V818 HydrophobicContact CD1-CG2 3.87Å; L814-V818 WeakPolarHBondContact O-CB 3.15Å; L814-V818 WeakPolarHBondContact O-CG2 3.42Å; L814-V818 PolarHBondContact O-N 3.46Å; A816-V818 PolarHBondContact O-N 3.32Å; V818-C822 WeakPolarHBondContact O-CB 3.05Å; V818-C822 PolarHBondContact O-N 3.43Å; V818-C822 PolarHBondContact O-SG 3.45Å
819	A	90.4	Very high	90.3	Very high	11 Å²	11	30.2 Å²	30.2	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-41.3	177.1	0	0	0	0	0	112.8	I631 T783 S815 A816 M823	I631-A819 HydrophobicContact CD1-CB 3.93Å; I631-A819 HydrophobicContact CG1-CB 4.36Å; T783-A819 HydrophobicContact CG2-CB 4.45Å; S815-A819 PolarHBondContact O-N 3.02Å; S815-A819 VanDerWaalsContact O-N 3.15Å; A816-A819 PolarHBondContact O-N 2.97Å; A819-M823 WeakPolarHBondContact O-CB 3.49Å; A819-M823 PolarHBondContact O-N 2.7Å
820	L	92.3	Very high	89.9	Confident	5 Å²	5	31.6 Å²	31.6	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-56.1	177.4	-171.1	66.4	0	0	0	111.2	A599 V603 L628 I631 A816 T817 F824	A599-L820 HydrophobicContact CB-CD2 3.77Å; V603-L820 HydrophobicContact CB-CD1 4.23Å; V603-L820 HydrophobicContact CG1-CD1 4.27Å; V603-L820 HydrophobicContact CG2-CD1 4.05Å; L628-L820 HydrophobicContact CD2-CD1 3.95Å; I631-L820 HydrophobicContact CD1-CB 4.34Å; A816-L820 WeakPolarHBondContact O-CB 3.3Å; A816-L820 PolarHBondContact O-N 2.71Å; T817-L820 PolarHBondContact O-N 3.18Å; L820-F824 HydrophobicContact CD1-CB 4.43Å; L820-F824 HydrophobicContact CD1-CD2 4.38Å; L820-F824 WeakPolarHBondContact O-CB 3.44Å; L820-F824 PolarHBondContact O-N 2.95Å
821	C	90.7	Very high	89.6	Confident	62 Å²	62	28.4 Å²	28.4	42%	0.419	16%	0.157	S	C	.	.	H	α-helix	trans	-64.2	-47.1	-176.2	-69.6	0	0	0	0	112.5	T817 V825 P826	T817-C821 VanDerWaalsContact O-CB 3.26Å; T817-C821 WeakPolarHBondContact O-CB 3.12Å; T817-C821 PolarHBondContact O-N 2.84Å; T817-C821 PolarHBondContact O-SG 2.78Å; T817-C821 VanDerWaalsContact O-SG 3.37Å; C821-V825 WeakPolarHBondContact O-CB 3.46Å; C821-P826 WeakPolarHBondContact O-CD 3.42Å
822	C	89.4	Confident	89.4	Confident	21 Å²	21	31.5 Å²	31.5	14%	0.142	17%	0.172	C	C	.	.	H	α-helix	trans	-76.4	-28.4	-172.5	-60.2	0	0	0	0	113.5	F782 T783 V818	F782-C822 HydrophobicContact CD1-CB 4.22Å; T783-C822 HydrophobicContact CG2-CB 4.29Å; T783-C822 WeakPolarHBondContact OG1-CB 3.37Å; V818-C822 WeakPolarHBondContact O-CB 3.05Å; V818-C822 PolarHBondContact O-N 3.43Å; V818-C822 PolarHBondContact O-SG 3.45Å
823	M	86.2	Confident	89.1	Confident	10 Å²	10	33.3 Å²	33.3	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-102.8	-34.1	-178.9	-69.2	-147.2	-62.7	0	0	115.7	I627 L668 I780 T783 A819	I627-M823 HydrophobicContact CD1-CE 4.11Å; I627-M823 HydrophobicContact CG2-CE 4.25Å; L668-M823 HydrophobicContact CD1-CE 3.87Å; L668-M823 HydrophobicContact CD1-SD 3.71Å; L668-M823 HydrophobicContact CD2-CE 4.15Å; L668-M823 HydrophobicContact CD2-SD 4.41Å; I780-M823 HydrophobicContact CG1-SD 3.74Å; T783-M823 HydrophobicContact CG2-CG 4.21Å; T783-M823 WeakPolarHBondContact OG1-CG 3.35Å; A819-M823 WeakPolarHBondContact O-CB 3.49Å; A819-M823 PolarHBondContact O-N 2.7Å
824	F	89.6	Confident	88.6	Confident	3 Å²	3	36.6 Å²	36.6	1%	0.013	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-37.5	-171	-67	-94.7	0	0	0	113.4	V603 F607 C624 I627 L628 I631 L820 K827 V828	V603-F824 HydrophobicContact CG1-CB 3.74Å; V603-F824 HydrophobicContact CG1-CD1 3.84Å; V603-F824 HydrophobicContact CG1-CG 4.01Å; F607-F824 HydrophobicContact CE1-CD1 4.23Å; F607-F824 HydrophobicContact CE1-CE1 4.28Å; F607-F824 HydrophobicContact CE2-CD1 4.06Å; F607-F824 AromaticContact CZ-CD1 3.75Å; F607-F824 HydrophobicContact CZ-CD1 3.75Å; F607-F824 HydrophobicContact CZ-CE1 4.26Å; C624-F824 HydrophobicContact CB-CE1 4.19Å; I627-F824 HydrophobicContact CB-CZ 4.19Å; I627-F824 HydrophobicContact CG2-CE2 3.74Å; I627-F824 HydrophobicContact CG2-CZ 3.87Å; L628-F824 HydrophobicContact CD1-CD1 4.38Å; L628-F824 HydrophobicContact CD1-CE1 3.84Å; L628-F824 HydrophobicContact CD1-CZ 4.4Å; L628-F824 HydrophobicContact CD2-CD1 4.11Å; L628-F824 HydrophobicContact CD2-CD2 4.44Å; L628-F824 HydrophobicContact CD2-CE1 3.9Å; L628-F824 HydrophobicContact CD2-CE2 4.24Å; L628-F824 HydrophobicContact CD2-CG 4.38Å; L628-F824 HydrophobicContact CD2-CZ 3.96Å; L628-F824 HydrophobicContact CG-CD1 4.39Å; L628-F824 HydrophobicContact CG-CE1 3.73Å; L628-F824 HydrophobicContact CG-CZ 3.8Å; I631-F824 HydrophobicContact CD1-CE2 4.25Å; L820-F824 HydrophobicContact CD1-CB 4.43Å; L820-F824 HydrophobicContact CD1-CD2 4.38Å; L820-F824 WeakPolarHBondContact O-CB 3.44Å; L820-F824 PolarHBondContact O-N 2.95Å; F824-K827 WeakPolarHBondContact O-CA 3.49Å; F824-K827 WeakPolarHBondContact O-CB 3.47Å; F824-K827 PolarHBondContact O-N 3.02Å; F824-V828 PolarHBondContact O-N 3.36Å
825	V	88.9	Confident	87.8	Confident	74 Å²	74	36.4 Å²	36.4	45%	0.448	21%	0.206	S	C	.	.	H	α-helix	trans	-57.3	-42.8	178.2	177.2	0	0	0	0	112.5	C821 K827 V828 Y829	C821-V825 WeakPolarHBondContact O-CB 3.46Å; V825-K827 PolarHBondContact O-N 3.21Å; V825-K827 VanDerWaalsContact O-N 3.17Å; V825-V828 PolarHBondContact O-N 3.49Å; V825-Y829 VanDerWaalsContact O-CB 3.26Å; V825-Y829 WeakPolarHBondContact O-CB 3.39Å; V825-Y829 PolarHBondContact O-N 3.32Å
826	P	86.4	Confident	86.9	Confident	27 Å²	27	41.2 Å²	41.2	18%	0.175	23%	0.227	C	C	.	.	H	α-helix	trans	-58.6	-29.4	173.7	-25.8	35.2	0	0	0	113.9	Y779 C821 I830	Y779-P826 HydrophobicContact CD1-CG 3.89Å; Y779-P826 HydrophobicContact CD2-CB 4.38Å; Y779-P826 HydrophobicContact CE1-CB 4.24Å; Y779-P826 HydrophobicContact CE1-CG 3.77Å; Y779-P826 HydrophobicContact CE2-CB 4.04Å; Y779-P826 HydrophobicContact CE2-CG 4.39Å; Y779-P826 HydrophobicContact CG-CG 4.28Å; C821-P826 WeakPolarHBondContact O-CD 3.42Å; P826-I830 VanDerWaalsContact O-CD1 3.26Å; P826-I830 WeakPolarHBondContact O-CD1 3.07Å; P826-I830 VanDerWaalsContact O-CG1 3.25Å; P826-I830 WeakPolarHBondContact O-CG1 3.13Å; P826-I830 PolarHBondContact O-N 3.12Å
827	K	85.7	Confident	85.7	Confident	20 Å²	20	48.1 Å²	48.1	9%	0.087	25%	0.252	C	S	.	.	H	α-helix	trans	-81.4	-45.2	178.4	-62.1	-168.5	173.3	-157.6	0	112	F607 V615 S619 E776 F824 V825 Y829 I830 I831	F607-K827 HydrophobicContact CE2-CB 4.43Å; F607-K827 HydrophobicContact CZ-CB 4.07Å; F607-K827 HydrophobicContact CZ-CD 4.16Å; V615-K827 HydrophobicContact CG1-CB 4.46Å; S619-K827 PolarHBondContact OG-NZ 3.09Å; E776-K827 WeakPolarHBondContact OE1-CE 3.21Å; E776-K827 IonicContact OE1-NZ 2.72Å; E776-K827 PolarHBondContact OE1-NZ 2.95Å; E776-K827 IonicContact OE2-NZ 3.75Å; E776-K827 PolarHBondContact OE2-NZ 3.28Å; F824-K827 WeakPolarHBondContact O-CA 3.49Å; F824-K827 WeakPolarHBondContact O-CB 3.47Å; F824-K827 PolarHBondContact O-N 3.02Å; V825-K827 PolarHBondContact O-N 3.21Å; V825-K827 VanDerWaalsContact O-N 3.17Å; K827-Y829 VanDerWaalsContact C-N 3.3Å; K827-Y829 PolarHBondContact O-N 3.28Å; K827-I830 PolarHBondContact O-N 3.48Å; K827-I831 WeakPolarHBondContact O-CD1 3.27Å; K827-I831 VanDerWaalsContact O-CG1 3.28Å; K827-I831 WeakPolarHBondContact O-CG1 3.36Å; K827-I831 PolarHBondContact O-N 3.07Å
828	V	88	Confident	84.6	Confident	13 Å²	13	47.9 Å²	47.9	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-40.5	175.2	173	0	0	0	0	110.8	F602 V603 V606 F607 F824 V825 I830 I831 L832	F602-V828 HydrophobicContact CE1-CG1 4.06Å; V603-V828 HydrophobicContact CG1-CG2 4.22Å; V603-V828 HydrophobicContact CG2-CG2 4.21Å; V606-V828 HydrophobicContact CG1-CG1 4.32Å; V606-V828 HydrophobicContact CG1-CG2 4.27Å; F607-V828 HydrophobicContact CD2-CG2 4.36Å; F607-V828 HydrophobicContact CE2-CG2 3.91Å; F824-V828 PolarHBondContact O-N 3.36Å; V825-V828 PolarHBondContact O-N 3.49Å; V828-I830 PolarHBondContact O-N 3.19Å; V828-I831 PolarHBondContact O-N 3.49Å; V828-I831 VanDerWaalsContact O-N 3.17Å; V828-L832 HydrophobicContact CG1-CD1 3.65Å; V828-L832 HydrophobicContact CG1-CG 4.21Å; V828-L832 PolarHBondContact O-N 3.08Å
829	Y	86.3	Confident	83.6	Confident	140 Å²	140	50.1 Å²	50.1	55%	0.549	26%	0.263	S	S	.	.	H	α-helix	trans	-59.2	-42.1	173.6	-177.9	-98.1	0	0	0	112.7	V825 K827 A833 K834	V825-Y829 VanDerWaalsContact O-CB 3.26Å; V825-Y829 WeakPolarHBondContact O-CB 3.39Å; V825-Y829 PolarHBondContact O-N 3.32Å; K827-Y829 VanDerWaalsContact C-N 3.3Å; K827-Y829 PolarHBondContact O-N 3.28Å; Y829-A833 HydrophobicContact CD2-CB 3.85Å; Y829-A833 HydrophobicContact CE2-CB 3.73Å; Y829-A833 HydrophobicContact CG-CB 4.44Å; Y829-A833 WeakPolarHBondContact O-CA 3.23Å; Y829-A833 WeakPolarHBondContact O-CB 3.46Å; Y829-A833 PolarHBondContact O-N 2.67Å; Y829-K834 HydrophobicContact CE1-CG 3.88Å; Y829-K834 PolarHBondContact O-N 3Å
830	I	82.7	Confident	82	Confident	30 Å²	30	59.6 Å²	59.6	15%	0.154	30%	0.296	C	S	.	.	H	α-helix	trans	-67.3	-38.2	175	-66.6	162.3	0	0	0	111.6	V615 F774 P826 K827 V828 K834 R837	V615-I830 HydrophobicContact CG2-CG2 3.93Å; F774-I830 HydrophobicContact CD1-CD1 3.95Å; F774-I830 HydrophobicContact CE1-CD1 3.93Å; F774-I830 HydrophobicContact CE1-CG2 4.48Å; P826-I830 VanDerWaalsContact O-CD1 3.26Å; P826-I830 WeakPolarHBondContact O-CD1 3.07Å; P826-I830 VanDerWaalsContact O-CG1 3.25Å; P826-I830 WeakPolarHBondContact O-CG1 3.13Å; P826-I830 PolarHBondContact O-N 3.12Å; K827-I830 PolarHBondContact O-N 3.48Å; V828-I830 PolarHBondContact O-N 3.19Å; I830-K834 CarbonylContact O-C 3.58Å; I830-R837 HydrophobicContact CG2-CB 4.25Å
831	I	85	Confident	80.2	Confident	8 Å²	8	63.6 Å²	63.6	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-69.5	-41.3	-179.2	-67.7	161.1	0	0	0	111.7	V606 F607 F610 V615 V616 K827 V828	V606-I831 HydrophobicContact CG1-CG2 4.06Å; F607-I831 HydrophobicContact CE2-CD1 4.38Å; F610-I831 HydrophobicContact CB-CG2 3.91Å; F610-I831 HydrophobicContact CD1-CG2 4.35Å; F610-I831 HydrophobicContact CD2-CG2 3.64Å; F610-I831 HydrophobicContact CE2-CG2 4.22Å; F610-I831 HydrophobicContact CG-CG2 3.7Å; V615-I831 HydrophobicContact CB-CG1 4.46Å; V615-I831 HydrophobicContact CG1-CD1 4.37Å; V615-I831 HydrophobicContact CG1-CG1 4.3Å; V616-I831 HydrophobicContact CG2-CD1 3.61Å; K827-I831 WeakPolarHBondContact O-CD1 3.27Å; K827-I831 VanDerWaalsContact O-CG1 3.28Å; K827-I831 WeakPolarHBondContact O-CG1 3.36Å; K827-I831 PolarHBondContact O-N 3.07Å; V828-I831 PolarHBondContact O-N 3.49Å; V828-I831 VanDerWaalsContact O-N 3.17Å
832	L	85.3	Confident	78.5	Confident	82 Å²	82	62.1 Å²	62.1	43%	0.429	32%	0.317	S	S	.	.	H	α-helix	trans	-96.9	-48.8	-173.1	-60.5	179.9	0	0	0	114	F602 V606 F610 V828	F602-L832 HydrophobicContact CZ-CD1 3.95Å; V606-L832 HydrophobicContact CG1-CD2 4.43Å; V606-L832 HydrophobicContact CG1-CG 4.48Å; V606-L832 HydrophobicContact CG2-CD1 4.22Å; F610-L832 HydrophobicContact CE2-CD2 3.78Å; F610-L832 HydrophobicContact CZ-CD2 4.38Å; V828-L832 HydrophobicContact CG1-CD1 3.65Å; V828-L832 HydrophobicContact CG1-CG 4.21Å; V828-L832 PolarHBondContact O-N 3.08Å
833	A	84.8	Confident	76.7	Confident	49 Å²	49	64.2 Å²	64.2	41%	0.405	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-14.6	-171.4	0	0	0	0	0	114	Y829	Y829-A833 HydrophobicContact CD2-CB 3.85Å; Y829-A833 HydrophobicContact CE2-CB 3.73Å; Y829-A833 HydrophobicContact CG-CB 4.44Å; Y829-A833 WeakPolarHBondContact O-CA 3.23Å; Y829-A833 WeakPolarHBondContact O-CB 3.46Å; Y829-A833 PolarHBondContact O-N 2.67Å
834	K	82.3	Confident	74.9	Confident	68 Å²	68	68 Å²	68	30%	0.296	35%	0.348	S	S	.	.			trans	-135.1	51.1	-179	-74.2	-70.6	138.3	-144.4	0	114	Y829 I830 E836 R837	Y829-K834 HydrophobicContact CE1-CG 3.88Å; Y829-K834 PolarHBondContact O-N 3Å; I830-K834 CarbonylContact O-C 3.58Å; K834-E836 WeakPolarHBondContact CA-OE2 3.29Å; K834-E836 WeakPolarHBondContact CD-OE1 3.43Å; K834-E836 IonicContact NZ-OE1 3.4Å; K834-E836 PolarHBondContact NZ-OE1 3.45Å; K834-E836 IonicContact NZ-OE2 2.73Å; K834-E836 PolarHBondContact O-N 3.38Å; K834-E836 VanDerWaalsContact O-N 3.13Å; K834-R837 PolarHBondContact O-N 3.13Å
835	P	77.3	Confident	72.7	Confident	77 Å²	77	72.5 Å²	72.5	50%	0.5	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-61.3	-22	-175.8	28.2	-36.6	0	0	0	113.6	R837 N838	P835-R837 PolarHBondContact O-N 3.4Å; P835-R837 VanDerWaalsContact O-N 3.15Å; P835-N838 VanDerWaalsContact O-CB 3.23Å; P835-N838 WeakPolarHBondContact O-CB 3.09Å; P835-N838 PolarHBondContact O-N 3.07Å
836	E	73.3	Confident	70.6	Confident	108 Å²	108	73.9 Å²	73.9	51%	0.505	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-62.8	-19.7	174.9	76.1	-84.4	-152.3	0	0	113	K834	K834-E836 WeakPolarHBondContact CA-OE2 3.29Å; K834-E836 WeakPolarHBondContact CD-OE1 3.43Å; K834-E836 IonicContact NZ-OE1 3.4Å; K834-E836 PolarHBondContact NZ-OE1 3.45Å; K834-E836 IonicContact NZ-OE2 2.73Å; K834-E836 PolarHBondContact O-N 3.38Å; K834-E836 VanDerWaalsContact O-N 3.13Å
837	R	67.7	Low	68.4	Low	154 Å²	154	78.9 Å²	78.9	58%	0.581	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-90.6	-3.8	174	-62.5	-175	174.7	-175.9	-3.2	113.1	F774 I830 K834 P835 V839	F774-R837 HydrophobicContact CZ-CB 4.43Å; F774-R837 WeakPolarHBondContact CZ-O 3.29Å; I830-R837 HydrophobicContact CG2-CB 4.25Å; K834-R837 PolarHBondContact O-N 3.13Å; P835-R837 PolarHBondContact O-N 3.4Å; P835-R837 VanDerWaalsContact O-N 3.15Å; R837-V839 PolarHBondContact O-N 3.37Å; R837-V839 VanDerWaalsContact O-N 3.17Å
838	N	70.8	Confident	66.1	Low	25 Å²	25	84.6 Å²	84.6	13%	0.134	46%	0.455	C	S	.	.			trans	-89.6	41.6	-177	-158.7	4.8	0	0	0	112.2	T613 P614 V615 P835	T613-N838 WeakPolarHBondContact CB-ND2 3.32Å; T613-N838 WeakPolarHBondContact CG2-ND2 3.49Å; P614-N838 WeakPolarHBondContact CD-O 3.24Å; P614-N838 VanDerWaalsContact CD-OD1 3.3Å; P614-N838 WeakPolarHBondContact CD-OD1 3.3Å; P614-N838 WeakPolarHBondContact CG-O 3.3Å; P614-N838 WeakPolarHBondContact CG-OD1 3.19Å; V615-N838 VanDerWaalsContact CG2-OD1 3.24Å; V615-N838 WeakPolarHBondContact CG2-OD1 3.5Å; V615-N838 PolarHBondContact N-OD1 3.38Å; P835-N838 VanDerWaalsContact O-CB 3.23Å; P835-N838 WeakPolarHBondContact O-CB 3.09Å; P835-N838 PolarHBondContact O-N 3.07Å
839	V	72	Confident	63.7	Low	66 Å²	66	89.9 Å²	89.9	40%	0.4	49%	0.487	S	S	.	.			trans	-113.4	144.6	-175.4	-66.5	0	0	0	0	112.4	R837 S841 A842	R837-V839 PolarHBondContact O-N 3.37Å; R837-V839 VanDerWaalsContact O-N 3.17Å; V839-S841 VanDerWaalsContact C-N 3.27Å; V839-S841 PolarHBondContact O-N 3.29Å; V839-A842 HydrophobicContact CG2-CB 4.2Å; V839-A842 WeakPolarHBondContact O-CB 3.38Å; V839-A842 PolarHBondContact O-N 3.25Å
840	R	57.6	Low	61.1	Low	210 Å²	210	93.6 Å²	93.6	79%	0.792	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-65.1	-28.5	-171.8	-162.2	173.8	-175	175.1	-0.8	113.6	A842 F843	R840-A842 VanDerWaalsContact C-N 3.33Å; R840-A842 PolarHBondContact O-N 3.28Å; R840-F843 PolarHBondContact O-N 3.36Å
841	S	53.4	Low	58.9	Low	88 Å²	88	99.8 Å²	99.8	62%	0.615	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-65.1	-29.5	176.3	46.4	0	0	0	0	113.8	V839 F843 T844	V839-S841 VanDerWaalsContact C-N 3.27Å; V839-S841 PolarHBondContact O-N 3.29Å; S841-F843 PolarHBondContact O-N 3.38Å; S841-T844 PolarHBondContact O-N 3.5Å; S841-T844 PolarHBondContact O-OG1 3.37Å
842	A	55	Low	56.5	Low	32 Å²	32	107.7 Å²	107.7	26%	0.264	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-68.4	-16.9	179.6	0	0	0	0	0	113.4	F774 V839 R840	F774-A842 HydrophobicContact CE2-CB 3.85Å; F774-A842 HydrophobicContact CZ-CB 4.25Å; V839-A842 HydrophobicContact CG2-CB 4.2Å; V839-A842 WeakPolarHBondContact O-CB 3.38Å; V839-A842 PolarHBondContact O-N 3.25Å; R840-A842 VanDerWaalsContact C-N 3.33Å; R840-A842 PolarHBondContact O-N 3.28Å
843	F	53.2	Low	54.1	Low	65 Å²	65	110.2 Å²	110.2	29%	0.285	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-101.6	-3.1	-177.8	-73.8	-86.1	0	0	0	114.3	V615 S618 F774 R840 S841	V615-F843 HydrophobicContact CG2-CE2 3.98Å; V615-F843 HydrophobicContact CG2-CZ 3.94Å; S618-F843 WeakPolarHBondContact OG-CE1 3.12Å; F774-F843 HydrophobicContact CB-CE1 4.47Å; F774-F843 AromaticContact CD2-CD1 3.93Å; F774-F843 HydrophobicContact CD2-CD1 3.93Å; F774-F843 HydrophobicContact CD2-CD2 4.42Å; F774-F843 AromaticContact CD2-CE1 3.38Å; F774-F843 HydrophobicContact CD2-CE1 3.38Å; F774-F843 AromaticContact CD2-CE2 3.94Å; F774-F843 HydrophobicContact CD2-CE2 3.94Å; F774-F843 HydrophobicContact CD2-CG 4.42Å; F774-F843 AromaticContact CD2-CZ 3.39Å; F774-F843 HydrophobicContact CD2-CZ 3.39Å; F774-F843 HydrophobicContact CE2-CD1 4.25Å; F774-F843 AromaticContact CE2-CD2 3.93Å; F774-F843 HydrophobicContact CE2-CD2 3.93Å; F774-F843 AromaticContact CE2-CE1 3.8Å; F774-F843 HydrophobicContact CE2-CE1 3.8Å; F774-F843 AromaticContact CE2-CE2 3.43Å; F774-F843 HydrophobicContact CE2-CE2 3.43Å; F774-F843 VanDerWaalsContact CE2-CE2 3.43Å; F774-F843 HydrophobicContact CE2-CG 4.31Å; F774-F843 AromaticContact CE2-CZ 3.36Å; F774-F843 HydrophobicContact CE2-CZ 3.36Å; F774-F843 HydrophobicContact CG-CE1 4.05Å; F774-F843 HydrophobicContact CG-CZ 4.02Å; F774-F843 AromaticContact CZ-CE2 3.98Å; F774-F843 HydrophobicContact CZ-CE2 3.98Å; F774-F843 AromaticContact CZ-CZ 3.98Å; F774-F843 HydrophobicContact CZ-CZ 3.98Å; R840-F843 PolarHBondContact O-N 3.36Å; S841-F843 PolarHBondContact O-N 3.38Å
844	T	47.2	Very low	51.6	Low	89 Å²	89	111.1 Å²	111.1	55%	0.546	60%	0.599	S	S	.	*			trans	-108.6	81	-174.4	51	0	0	0	0	112.8	S841 S846	S841-T844 PolarHBondContact O-N 3.5Å; S841-T844 PolarHBondContact O-OG1 3.37Å; T844-S846 PolarHBondContact O-N 3.47Å
845	T	44.2	Very low	49.1	Very low	98 Å²	98	116.1 Å²	116.1	60%	0.601	63%	0.629	S	S	*	*			trans	-85.4	85.5	175.6	51.6	0	0	0	0	112.3	N773	N773-T845 HydrophobicContact CB-CG2 4.45Å; N773-T845 WeakPolarHBondContact ND2-CG2 3.45Å
846	S	43.7	Very low	47	Very low	103 Å²	103	115.7 Å²	115.7	72%	0.72	64%	0.638	S	S	*	*			trans	-150.1	54	168.3	65.7	0	0	0	0	112.6	T844	T844-S846 PolarHBondContact O-N 3.47Å
847	T	40.7	Very low	44.9	Very low	131 Å²	131	120.2 Å²	120.2	80%	0.804	66%	0.656	S	S	*	*			trans	-98.5	10.1	-180	44.6	0	0	0	0	114.3
848	V	37.3	Very low	43.4	Very low	140 Å²	140	117.4 Å²	117.4	85%	0.848	66%	0.66	S	S	*	*			trans	-106.1	56.6	172.3	-165.3	0	0	0	0	110.7
849	V	38.6	Very low	41.9	Very low	124 Å²	124	121.1 Å²	121.1	75%	0.752	69%	0.688	S	S	*	*			trans	-127.8	62.9	150.1	-172.2	0	0	0	0	106.7	M851	V849-M851 PolarHBondContact O-N 3.16Å
850	R	31.8	Very low	40.6	Very low	219 Å²	219	123.4 Å²	123.4	83%	0.826	71%	0.707	S	S	*	*			trans	-78.9	99	166.2	-166.6	178.1	-169.6	100.7	-1.3	106.3	H852	R850-H852 PolarHBondContact O-N 3.49Å
851	M	36.8	Very low	39.8	Very low	159 Å²	159	118.7 Å²	118.7	78%	0.783	71%	0.713	S	S	*	*			trans	-57.5	127	170.4	-70.4	-179.2	174.3	0	0	108.4	V849	V849-M851 PolarHBondContact O-N 3.16Å
852	H	34.3	Very low	39.1	Very low	174 Å²	174	119.5 Å²	119.5	81%	0.806	73%	0.725	S	S	*	*			trans	-110.5	113.4	161.1	-123.5	-106.5	0	0	0	106.3	R850	R850-H852 PolarHBondContact O-N 3.49Å
853	V	35	Very low	38.8	Very low	136 Å²	136	124 Å²	124	82%	0.824	75%	0.754	S	S	*	*			trans	-116	103.2	174.3	178.1	0	0	0	0	106.8
854	G	32.6	Very low	38.2	Very low	67 Å²	67	132.8 Å²	132.8	69%	0.691	79%	0.786	S	S	*	*			trans	-123.7	151.1	149.3	0	0	0	0	0	106.5
855	D	29.4	Very low	37.5	Very low	174 Å²	174	134.6 Å²	134.6	93%	0.93	80%	0.802	S	S	*	*			cis	-144.1	172.3	7.6	-154	-21.2	0	0	0	109.8
856	G	32.3	Very low	36.9	Very low	67 Å²	67	134.7 Å²	134.7	69%	0.691	81%	0.806	S	S	*	*			trans	135.7	92.1	168.3	0	0	0	0	0	116.3
857	K	29.6	Very low	36.6	Very low	204 Å²	204	134 Å²	134	89%	0.887	80%	0.802	S	S	*	*			trans	-82.3	135	143.5	-99.4	-170.3	172.6	-177.8	0	107.8
858	S	36.8	Very low	36.3	Very low	94 Å²	94	135.6 Å²	135.6	66%	0.657	80%	0.804	S	S	*	*			cis	-152	161	-7.2	-37.1	0	0	0	0	106.8
859	S	39.5	Very low	36.2	Very low	104 Å²	104	134.2 Å²	134.2	73%	0.727	80%	0.796	S	S	*	*			cis	-154	155.5	20.3	-62	0	0	0	0	112.6
860	S	43.4	Very low	35.8	Very low	114 Å²	114	134.8 Å²	134.8	80%	0.797	80%	0.795	S	S	*	*			trans	61.1	120.5	150	50.9	0	0	0	0	122.7
861	A	41.4	Very low	35.8	Very low	110 Å²	110	131.6 Å²	131.6	91%	0.909	79%	0.793	S	S	*	*			trans	75.1	148.3	157	0	0	0	0	0	119.2
862	A	37.8	Very low	35.5	Very low	105 Å²	105	132.3 Å²	132.3	87%	0.868	79%	0.792	S	S	*	*			trans	-132.6	157.1	-159.9	0	0	0	0	0	115.4
863	S	50	Low	35.3	Very low	126 Å²	126	131.9 Å²	131.9	88%	0.881	79%	0.788	S	S	*	*			trans	-114.5	167.8	-172	-58.8	0	0	0	0	114.4
864	R	39.4	Very low	35.1	Very low	251 Å²	251	135.7 Å²	135.7	95%	0.947	79%	0.788	S	S	*	*			trans	-128.6	158.4	174.6	-89.7	-175.9	171.4	171.7	-0.6	112.2
865	S	32	Very low	35	Very low	126 Å²	126	143.5 Å²	143.5	88%	0.881	80%	0.796	S	S	*	*			trans	-91.2	166.3	-176.1	63.9	0	0	0	0	114.5
866	S	33.1	Very low	34.8	Very low	100 Å²	100	138.7 Å²	138.7	70%	0.699	79%	0.788	S	S	*	*			trans	-114.2	166.9	-175.5	60.1	0	0	0	0	114.9
867	S	37.4	Very low	34.7	Very low	89 Å²	89	140.3 Å²	140.3	62%	0.622	79%	0.789	S	S	*	*			trans	55.9	130.5	135.4	58.2	0	0	0	0	121.5
868	L	34.8	Very low	34.8	Very low	164 Å²	164	137.3 Å²	137.3	86%	0.859	79%	0.788	S	S	*	*				67	140.6	61.8	-59.1	174.3	0	0	0	112.2
869	V	33.8	Very low	34.6	Very low	111 Å²	111	135.8 Å²	135.8	67%	0.673	79%	0.787	S	S	*	*			cis	-166.2	160.8	6.1	92.3	0	0	0	0	114.6
870	N	31.4	Very low	34.3	Very low	137 Å²	137	139.6 Å²	139.6	73%	0.733	79%	0.793	S	S	*	*			trans	61.5	162.2	155	-68	-14.6	0	0	0	126.7
871	L	31.8	Very low	33.8	Very low	152 Å²	152	139.4 Å²	139.4	80%	0.796	79%	0.788	S	S	*	*			trans	95.9	112.2	148.6	-81.4	135.7	0	0	0	124.2
872	F	29.1	Very low	33.6	Very low	174 Å²	174	141.6 Å²	141.6	76%	0.763	78%	0.783	S	S	*	*			trans	37.2	114.7	136.7	-80.9	-109.2	0	0	0	125.4
873	K	30.1	Very low	33.4	Very low	164 Å²	164	141.7 Å²	141.7	71%	0.713	78%	0.778	S	S	*	*				62.9	134.9	109.6	-152.7	-176.2	-175.9	175.3	0	122.1
874	R	31.2	Very low	32.9	Very low	217 Å²	217	141 Å²	141	82%	0.819	77%	0.773	S	S	*	*			trans	73.6	158.5	169.8	-76.3	176.6	174.8	167.4	-2.9	116.2
875	R	29.9	Very low	33	Very low	230 Å²	230	136.9 Å²	136.9	87%	0.868	77%	0.769	S	S	*	*			cis	-171.9	134.8	-25.7	172.6	-176.3	-172.5	-177.3	3.8	110.5
876	G	26	Very low	33.2	Very low	74 Å²	74	133.5 Å²	133.5	76%	0.763	75%	0.754	S	S	*	*			trans	75	179.7	163.7	0	0	0	0	0	115.9
877	S	30.8	Very low	33.5	Very low	101 Å²	101	138.6 Å²	138.6	71%	0.706	76%	0.764	S	S	*	*			cis	-171.2	147.5	-19.7	-176.9	0	0	0	0	110
878	T	31.9	Very low	33.5	Very low	141 Å²	141	139 Å²	139	87%	0.865	77%	0.767	S	S	*	*			trans	56.3	149	156.1	37	0	0	0	0	119.5
879	G	31.1	Very low	33.5	Very low	62 Å²	62	137.6 Å²	137.6	64%	0.639	77%	0.765	S	S	*	*			cis	170.8	158.1	-7.1	0	0	0	0	0	111.2
880	E	33.3	Very low	33.4	Very low	183 Å²	183	136.5 Å²	136.5	86%	0.855	76%	0.762	S	S	*	*			trans	65.4	172.9	162.1	-70.4	-179.3	-116.7	0	0	116.7
881	T	34.1	Very low	33.4	Very low	111 Å²	111	141.1 Å²	141.1	68%	0.681	77%	0.769	S	S	*	*			cis	-162.9	164.1	-17.2	23	0	0	0	0	107.2
882	L	36	Very low	33.6	Very low	156 Å²	156	137.3 Å²	137.3	82%	0.817	76%	0.76	S	S	*	*			cis	-165	154.2	-23.5	-164.8	71.2	0	0	0	110.4
883	S	35.2	Very low	33.8	Very low	107 Å²	107	137.2 Å²	137.2	75%	0.748	76%	0.761	S	S	*	*			trans	79.1	142.7	150	-146.9	0	0	0	0	123.7
884	S	38.4	Very low	34	Very low	111 Å²	111	135.3 Å²	135.3	78%	0.776	76%	0.764	S	S	*	*			trans	73.7	148.2	139.4	179.5	0	0	0	0	122.7
885	N	41.4	Very low	34.1	Very low	164 Å²	164	131.3 Å²	131.3	88%	0.877	76%	0.755	S	S	*	*			cis	-173.8	164.3	-34.5	-150.4	-12.9	0	0	0	111.3
886	G	35.4	Very low	34.1	Very low	55 Å²	55	130.3 Å²	130.3	57%	0.567	75%	0.751	S	S	*	*			trans	122.9	124.8	167.4	0	0	0	0	0	115.3
887	K	39.7	Very low	34.3	Very low	207 Å²	207	132.1 Å²	132.1	90%	0.9	75%	0.752	S	S	*	*				91.6	145	59.3	-84.3	-170.8	178.4	-178.1	0	113
888	S	37.1	Very low	34.2	Very low	98 Å²	98	132.3 Å²	132.3	69%	0.685	75%	0.753	S	S	*	*			cis	-173.6	-149	-14.7	51.8	0	0	0	0	110
889	V	35.2	Very low	34.4	Very low	135 Å²	135	130.2 Å²	130.2	82%	0.818	74%	0.744	S	S	*	*			trans	81.3	135.4	-179.2	-176.5	0	0	0	0	112.9
890	S	32.8	Very low	34.6	Very low	87 Å²	87	138.9 Å²	138.9	61%	0.608	76%	0.758	S	S	*	*			cis	-161.3	-175	-21.3	63.2	0	0	0	0	108
891	W	31.8	Very low	34.4	Very low	235 Å²	235	133.1 Å²	133.1	89%	0.89	75%	0.747	S	S	*	*			cis	-137	-91.3	8.8	-123.6	132.8	0	0	0	113.4
892	A	34.9	Very low	34.3	Very low	72 Å²	72	134.7 Å²	134.7	60%	0.595	75%	0.752	S	S	*	*			trans	-156.9	-171.5	-169.9	0	0	0	0	0	109.6
893	Q	34.5	Very low	34.2	Very low	171 Å²	171	134.5 Å²	134.5	80%	0.799	75%	0.746	S	S	*	*			cis	-153.9	173.3	12	-146.2	141.6	-89.9	0	0	107.7
894	T	34	Very low	33.9	Very low	124 Å²	124	135.7 Å²	135.7	76%	0.761	74%	0.743	S	S	*	*			cis	-143.3	-151.6	24.5	-46.5	0	0	0	0	112.2
895	E	31.5	Very low	33.4	Very low	134 Å²	134	141.2 Å²	141.2	63%	0.626	75%	0.747	S	S	*	*			trans	-77.9	149.7	-161.7	-73	-159.5	173.2	0	0	119.8
896	R	31.9	Very low	32.7	Very low	208 Å²	208	142.7 Å²	142.7	79%	0.785	75%	0.749	S	S	*	*			trans	52.7	130.3	137.2	-66.3	-178.8	172.7	124.3	-4.4	119.3
897	S	28.2	Very low	32.1	Very low	113 Å²	113	150.5 Å²	150.5	79%	0.79	76%	0.761	S	S	*	*			cis	-163.1	162.7	16.7	49	0	0	0	0	113.8
898	S	29.9	Very low	31.4	Very low	104 Å²	104	148 Å²	148	73%	0.727	76%	0.757	S	S	*	*			trans	37.7	104.1	166.9	-157.4	0	0	0	0	119.6
899	S	35.5	Very low	31	Very low	97 Å²	97	148.3 Å²	148.3	68%	0.678	76%	0.759	S	S	*	*				72.1	136.4	68.3	94.6	0	0	0	0	114.8
900	R	35	Very low	30.4	Very low	245 Å²	245	151.5 Å²	151.5	93%	0.925	76%	0.763	S	S	*	*			cis	-164.4	166.6	5.1	-116	163.9	-178.6	170.9	-0.4	108.8
901	G	30	Very low	30	Very low	62 Å²	62	156.6 Å²	156.6	64%	0.639	78%	0.776	S	S	*	*			cis	146.3	108.5	-13.6	0	0	0	0	0	116.6
902	N	31.7	Very low	29.9	Very low	144 Å²	144	152.5 Å²	152.5	77%	0.77	77%	0.77	S	S	*	*			trans	53.1	155.2	153.2	-61.8	5.6	0	0	0	121.3
903	H	33.6	Very low	29.3	Very low	152 Å²	152	158.9 Å²	158.9	70%	0.704	78%	0.784	S	S	*	*			cis	-175.1	159.4	-15.1	-104.2	-31.1	0	0	0	111.8
904	L	30	Very low	28.9	Very low	131 Å²	131	160.2 Å²	160.2	69%	0.686	79%	0.788	S	S	*	*			trans	73.5	128.3	144.6	-96	61.9	0	0	0	125.4
905	W	27.3	Very low	28.5	Very low	227 Å²	227	161.3 Å²	161.3	86%	0.86	78%	0.782	S	S	*	*			trans	56.9	131.6	150.1	-62.2	113	0	0	0	124.5
906	Q	26.8	Very low	28.3	Very low	195 Å²	195	161.4 Å²	161.4	91%	0.911	78%	0.782	S	S	*	*				-151.8	-163.2	129.4	-119.6	-177.5	26.3	0	0	113.6
907	R	23.8	Very low	28.1	Very low	219 Å²	219	158.2 Å²	158.2	83%	0.826	78%	0.781	S	S	*	*			trans	-143.2	174.2	-151.2	-141.7	-173.8	-171.7	-156.8	4.7	112.3
908	L	24.5	Very low	28.1	Very low	155 Å²	155	159.8 Å²	159.8	81%	0.812	78%	0.781	S	S	*	*			trans	73.4	158.4	165.2	-63	144.4	0	0	0	115.3
909	S	28.5	Very low	28.1	Very low	105 Å²	105	164.3 Å²	164.3	73%	0.734	79%	0.79	S	S	*	*			cis	-162.4	163.9	-12.3	35.4	0	0	0	0	111
910	F	22.3	Very low	27.6	Very low	202 Å²	202	166.5 Å²	166.5	89%	0.886	80%	0.8	S	S	*	*			trans	-84.5	144.8	174.1	-73.1	-91	0	0	0	113.5
911	H	25.4	Very low	27.2	Very low	193 Å²	193	159.6 Å²	159.6	89%	0.894	80%	0.795	S	S	*	*			trans	-151.5	155.3	147.4	-132.6	-88.2	0	0	0	110.9
912	I	28.1	Very low	26.9	Very low	149 Å²	149	163.2 Å²	163.2	76%	0.764	80%	0.804	S	S	*	*			trans	-123.3	140	-168.3	-62.4	171.9	0	0	0	111.7
913	K	23.8	Very low	26.6	Very low	206 Å²	206	164.4 Å²	164.4	90%	0.896	81%	0.809	S	S	*	*			trans	-156.9	150.7	146	-114.8	172.8	-176.6	-179.9	0	112.8
914	K	24.5	Very low	26.3	Very low	199 Å²	199	166 Å²	166	87%	0.865	81%	0.813	S	S	*	*			trans	-46.8	159.6	170	-97.1	174.3	170.5	176.5	0	112.5
915	K	26.4	Very low	26.1	Very low	148 Å²	148	165.8 Å²	165.8	64%	0.643	82%	0.82	S	S	*	*			cis	-161.9	162.3	28.2	-155.6	-179.5	167.4	-135.4	0	111.7
916	E	27.7	Very low	25.9	Very low	135 Å²	135	165 Å²	165	63%	0.631	82%	0.823	S	S	*	*			trans	74.3	132.2	149.6	-108.8	139.5	-154.7	0	0	123.2
917	N	28	Very low	25.9	Very low	141 Å²	141	160.4 Å²	160.4	75%	0.754	81%	0.812	S	S	*	*			trans	43.7	121.4	154.1	-65.6	2.2	0	0	0	123.6
918	N	27	Very low	26	Very low	147 Å²	147	160.1 Å²	160.1	79%	0.786	82%	0.817	S	S	*	*			trans	29.2	110	134.2	-57.9	-2.3	0	0	0	119.1
919	Q	29.9	Very low	26.1	Very low	199 Å²	199	158.5 Å²	158.5	93%	0.93	81%	0.814	S	S	*	*				-164.5	154.6	102	-104.2	169.7	10.9	0	0	112.2
920	T	25.8	Very low	26	Very low	143 Å²	143	158.2 Å²	158.2	88%	0.877	81%	0.812	S	S	*	*			trans	-97.5	130.7	178.5	47.6	0	0	0	0	111.1
921	A	25.7	Very low	26.2	Very low	99 Å²	99	156.7 Å²	156.7	82%	0.818	81%	0.808	S	S	*	*			trans	-135.2	121.9	167	0	0	0	0	0	110.3
922	V	24.3	Very low	26.1	Very low	139 Å²	139	154.8 Å²	154.8	84%	0.842	80%	0.799	S	S	*	*			trans	-136.5	118.1	170.6	176.2	0	0	0	0	107.8
923	I	25.1	Very low	25.9	Very low	168 Å²	168	157.4 Å²	157.4	86%	0.862	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-95.7	144.4	170.2	-65.4	178.4	0	0	0	108.5
924	K	26.5	Very low	25.9	Very low	185 Å²	185	152.4 Å²	152.4	80%	0.804	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-73.6	154.9	-168.3	-62.6	174.8	-178.1	174.5	0	113.1
925	P	26.4	Very low	26	Very low	127 Å²	127	148.7 Å²	148.7	83%	0.825	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72.8	169.7	166.7	32.6	-35.7	0	0	0	112.8
926	F	24.3	Very low	26	Very low	212 Å²	212	148.2 Å²	148.2	93%	0.93	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-72.3	157.2	-166.8	-87.4	-102.6	0	0	0	116.8
927	S	26.8	Very low	26.1	Very low	97 Å²	97	148 Å²	148	68%	0.678	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-91.7	170.9	167.7	54.1	0	0	0	0	113
928	K	25.8	Very low	26	Very low	213 Å²	213	145.6 Å²	145.6	93%	0.926	79%	0.794	S	S	*	*			trans	-133	152.9	153	-100.8	-169.2	171.8	-170.7	0	108.9
929	T	26.7	Very low	26	Very low	122 Å²	122	146.8 Å²	146.8	75%	0.748	79%	0.794	S	S	*	*			trans	-134.3	154.7	-160.6	48.5	0	0	0	0	113.3
930	S	24.6	Very low	26.3	Very low	99 Å²	99	143.2 Å²	143.2	69%	0.692	79%	0.789	S	S	*	*			trans	151.8	138.1	146.1	-87.4	0	0	0	0	109.4
931	E	26.6	Very low	26.2	Very low	170 Å²	170	143.9 Å²	143.9	79%	0.794	79%	0.787	S	S	*	*			cis	-163.1	-177.2	-12.1	-147	150.4	162	0	0	111.8
932	E	23.3	Very low	26.2	Very low	152 Å²	152	145.4 Å²	145.4	71%	0.71	79%	0.79	S	S	*	*			trans	82	119.7	165.3	-64.4	-132	101.4	0	0	122
933	R	24.7	Very low	26.4	Very low	204 Å²	204	142.1 Å²	142.1	77%	0.77	79%	0.785	S	S	*	*			trans	70.1	87.1	138.6	-77.5	-179.8	161.6	152.3	-3.8	123.4
934	S	24.6	Very low	26.4	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	78%	0.783	S	S	*	*				58.5	105	112.5	64.8	0	0	0	0	121
935	S	25.8	Very low	26.5	Very low	122 Å²	122	137.5 Å²	137.5	85%	0.853	78%	0.776	S	S	*	*				172	148.3	101.1	47.1	0	0	0	0	111.7
936	L	25.3	Very low	26.5	Very low	138 Å²	138	139.1 Å²	139.1	72%	0.723	77%	0.769	S	S	*	*			trans	-158.8	153.5	-178.4	-116.2	156.3	0	0	0	107.5	T938	L936-T938 HydrophobicContact CD2-CG2 3.78Å
937	P	31.7	Very low	26.6	Very low	130 Å²	130	135 Å²	135	84%	0.844	76%	0.762	S	S	*	*				-141.1	148.7	104.3	35.2	-21.3	0	0	0	115
938	T	24.2	Very low	26.5	Very low	91 Å²	91	136.8 Å²	136.8	56%	0.558	76%	0.763	S	S	*	*			trans	-103.9	-178.2	170	29	0	0	0	0	111.2	L936	L936-T938 HydrophobicContact CD2-CG2 3.78Å
939	H	26.8	Very low	26.4	Very low	171 Å²	171	135.9 Å²	135.9	79%	0.792	76%	0.755	S	S	*	*			trans	96	160.5	157	-56.4	-67.6	0	0	0	117.7
940	P	37.4	Very low	26.2	Very low	124 Å²	124	137 Å²	137	81%	0.805	75%	0.752	S	S	*	*			cis	-121	177.6	-3.8	16.4	8	0	0	0	114.9
941	D	23.4	Very low	26.3	Very low	158 Å²	158	139.7 Å²	139.7	85%	0.845	76%	0.758	S	S	*	*			trans	-125.5	162.5	164.4	-146.2	-21.6	0	0	0	108.3
942	C	25.7	Very low	26.2	Very low	130 Å²	130	136 Å²	136	88%	0.878	75%	0.75	S	S	*	*			trans	80.5	137.1	167.6	-162.1	0	0	0	0	120.9
943	G	27.9	Very low	26.4	Very low	71 Å²	71	137.6 Å²	137.6	73%	0.732	76%	0.758	S	S	*	*			trans	128.5	85.8	138.8	0	0	0	0	0	118.8
944	T	26.5	Very low	26.5	Very low	135 Å²	135	132 Å²	132	83%	0.828	76%	0.756	S	S	*	*			trans	-82.8	141.6	165.2	49.4	0	0	0	0	112.3
945	D	27.1	Very low	26.5	Very low	121 Å²	121	134.9 Å²	134.9	65%	0.647	76%	0.758	S	S	*	*				-178.2	151	101.1	-137.8	-5.8	0	0	0	116.1
946	K	27.5	Very low	26.5	Very low	160 Å²	160	132.6 Å²	132.6	70%	0.696	73%	0.734	S	S	*	*			trans	66.8	132.7	150.9	-78.1	166.3	-179.1	108.2	0	125
947	T	26.4	Very low	26.4	Very low	125 Å²	125	132.1 Å²	132.1	77%	0.767	73%	0.728	S	S	*	*			trans	70.5	141.9	142.6	50.2	0	0	0	0	120.9
948	L	24.1	Very low	26.2	Very low	135 Å²	135	134.6 Å²	134.6	71%	0.707	72%	0.721	S	S	*	*			cis	-170.5	132.6	-14.3	-172.2	130.3	0	0	0	110.7
949	Y	24.1	Very low	26.1	Very low	195 Å²	195	135.7 Å²	135.7	77%	0.765	73%	0.733	S	S	*	*			trans	63	162	171.7	-80.4	-139.6	0	0	0	115.6
950	E	23.1	Very low	26.1	Very low	146 Å²	146	135.1 Å²	135.1	68%	0.682	73%	0.734	S	S	*	*			cis	-156.9	149	-3.8	-135.5	172.7	171.1	0	0	109.7
951	L	25.5	Very low	25.6	Very low	155 Å²	155	135.5 Å²	135.5	81%	0.812	73%	0.734	S	S	*	*			trans	56.3	157.2	159.7	-66.7	157.1	0	0	0	118
952	S	25	Very low	25.8	Very low	91 Å²	91	137.5 Å²	137.5	64%	0.636	73%	0.731	S	S	*	*			cis	-158.9	174.7	-11.1	43.5	0	0	0	0	108.8
953	E	26.9	Very low	25.8	Very low	186 Å²	186	142.8 Å²	142.8	87%	0.869	73%	0.733	S	S	*	*			trans	13.5	149	148.7	-61.2	169.8	156.8	0	0	121.2
954	A	26.7	Very low	26.8	Very low	88 Å²	88	143.6 Å²	143.6	73%	0.727	73%	0.725	S	S	*	*			cis	-177.1	-172.4	-10.7	0	0	0	0	0	108.6
955	E	25.7	Very low	27	Very low	161 Å²	161	145.9 Å²	145.9	75%	0.752	73%	0.726	S	S	*	*			trans	60	94.2	163	-61.5	-161.6	132.6	0	0	121.1
956	E	25.1	Very low	27.3	Very low	74 Å²	74	146.3 Å²	146.3	35%	0.346	73%	0.733	S	S	.	*				2.5	131.5	122.4	-70.5	-170.9	149.6	0	0	120.6	S1092 P1093 L1094	E956-S1092 WeakPolarHBondContact OE1-CA 3.25Å; E956-S1092 WeakPolarHBondContact OE1-CB 3.46Å; E956-S1092 PolarHBondContact OE1-OG 3.27Å; E956-P1093 HydrophobicContact CB-CB 3.7Å; E956-P1093 HydrophobicContact CG-CB 4.01Å; E956-P1093 WeakPolarHBondContact OE1-CA 3.49Å; E956-P1093 WeakPolarHBondContact OE2-CA 3.5Å; E956-P1093 WeakPolarHBondContact OE2-CB 3.32Å; E956-L1094 HydrophobicContact CB-CD1 3.99Å; E956-L1094 WeakPolarHBondContact OE2-CG 3.12Å; E956-L1094 PolarHBondContact OE2-N 2.9Å; E956-L1094 VanDerWaalsContact OE2-N 3.13Å
957	H	24.2	Very low	28.3	Very low	128 Å²	128	144.3 Å²	144.3	59%	0.593	74%	0.737	S	S	*	*				-170.4	149.1	127.7	-106.6	-59.2	0	0	0	113.8
958	Y	27.5	Very low	28.5	Very low	182 Å²	182	143.5 Å²	143.5	71%	0.714	74%	0.736	S	S	*	*			trans	-88.9	163.3	176.6	-101.3	-99.5	0	0	0	113.7	P1093	Y958-P1093 HydrophobicContact CD2-CG 4.09Å
959	S	21	Very low	29.9	Very low	114 Å²	114	143 Å²	143	80%	0.797	74%	0.741	S	S	*	*			trans	-146.6	161.1	166.8	64.3	0	0	0	0	114.3
960	I	28	Very low	30	Very low	158 Å²	158	142.2 Å²	142.2	81%	0.81	75%	0.748	S	S	*	*			trans	-137.3	145.9	-176.1	-65	169.2	0	0	0	108.1
961	T	26.2	Very low	30.3	Very low	132 Å²	132	140 Å²	140	81%	0.81	75%	0.749	S	S	*	*			trans	-174.4	110	146.8	-79	0	0	0	0	115.3
962	Y	26.6	Very low	30.7	Very low	201 Å²	201	138.7 Å²	138.7	79%	0.788	75%	0.748	S	S	*	*				24.7	141.2	125.2	-118.2	-98.5	0	0	0	124.8
963	R	26.5	Very low	31	Very low	240 Å²	240	140.9 Å²	140.9	91%	0.906	76%	0.757	S	S	*	*				-173.1	169.2	127.5	-103.4	-152.9	158.6	175.7	-4	115.2
964	P	49.6	Very low	31.1	Very low	88 Å²	88	136.2 Å²	136.2	57%	0.571	74%	0.744	S	S	*	*			trans	-144.7	-161	-133.2	43	-19.6	0	0	0	118.8
965	Q	29.7	Very low	31.4	Very low	183 Å²	183	139.1 Å²	139.1	86%	0.855	74%	0.743	S	S	*	*			trans	126.7	154.8	146.4	-89.8	170.1	-10.1	0	0	121.2
966	T	33.5	Very low	31.6	Very low	130 Å²	130	141.1 Å²	141.1	80%	0.798	74%	0.744	S	S	*	*			trans	-146.2	173	-164.5	61.3	0	0	0	0	112.3
967	P	48.8	Very low	31.8	Very low	119 Å²	119	145.1 Å²	145.1	77%	0.773	77%	0.766	S	S	*	*				-140.7	-149.4	79.3	26.5	0.4	0	0	0	112.6
968	S	30.8	Very low	31.9	Very low	107 Å²	107	142.3 Å²	142.3	75%	0.748	77%	0.771	S	S	*	*			cis	-159.5	165.8	12	-59.4	0	0	0	0	113.2
969	P	53.3	Low	31.9	Very low	124 Å²	124	138.4 Å²	138.4	81%	0.805	78%	0.777	S	S	*	*			trans	-128.1	172.4	179.5	43	-30.8	0	0	0	117.9
970	I	25.6	Very low	32.1	Very low	180 Å²	180	138.6 Å²	138.6	92%	0.923	78%	0.778	S	S	*	*			trans	-168.7	161.7	160.2	-108.9	160.2	0	0	0	113.5
971	S	30.9	Very low	32	Very low	100 Å²	100	139.4 Å²	139.4	70%	0.699	78%	0.783	S	S	*	*			trans	-160.6	164.2	175	60.9	0	0	0	0	115.8
972	T	33.3	Very low	32	Very low	127 Å²	127	136.7 Å²	136.7	78%	0.779	78%	0.781	S	S	*	*			trans	142.4	160.9	137.4	55	0	0	0	0	119.2
973	V	31	Very low	32	Very low	136 Å²	136	132.2 Å²	132.2	82%	0.824	78%	0.78	S	S	*	*			trans	64.9	162.3	170.1	-86.4	0	0	0	0	119.2
974	S	30.2	Very low	32	Very low	88 Å²	88	127.3 Å²	127.3	62%	0.615	78%	0.776	S	S	*	*			cis	-165.9	172.9	1.5	-116.6	0	0	0	0	109.7
975	Q	31.4	Very low	31	Very low	149 Å²	149	127.2 Å²	127.2	70%	0.696	78%	0.783	S	S	*	*			cis	-170.2	158.7	-21.4	-126.9	-172.8	105.1	0	0	113.5
976	R	31.3	Very low	30.9	Very low	203 Å²	203	123.6 Å²	123.6	77%	0.766	78%	0.784	S	S	*	*			trans	59.4	129.8	148	-85.1	-175.5	175.1	-172.9	-0.7	126.4
977	I	27.6	Very low	30.6	Very low	159 Å²	159	121.2 Å²	121.2	82%	0.815	79%	0.785	S	S	*	*			trans	70.7	138.6	143.7	-58.6	164.3	0	0	0	118.6
978	G	26.2	Very low	29.7	Very low	68 Å²	68	120.2 Å²	120.2	70%	0.701	78%	0.781	S	S	*	*			cis	163.1	144.1	-13.7	0	0	0	0	0	117.2
979	A	27.9	Very low	29.6	Very low	100 Å²	100	122.8 Å²	122.8	83%	0.826	79%	0.786	S	S	*	*			trans	77.2	143.8	156.9	0	0	0	0	0	124.3
980	S	25.7	Very low	28.4	Very low	119 Å²	119	120.6 Å²	120.6	83%	0.832	79%	0.786	S	S	*	*			trans	71.4	147.5	161.7	71.5	0	0	0	0	120.3
981	L	26.4	Very low	28.7	Very low	174 Å²	174	123 Å²	123	91%	0.911	78%	0.784	S	S	*	*			cis	-165.7	137.1	-28	-170	76.2	0	0	0	111
982	G	25.7	Very low	28.6	Very low	75 Å²	75	124.7 Å²	124.7	77%	0.773	78%	0.784	S	S	*	*			trans	77.2	175.7	165.1	0	0	0	0	0	117.6
983	S	26.6	Very low	28.3	Very low	108 Å²	108	125.7 Å²	125.7	76%	0.755	79%	0.79	S	S	*	*			cis	-171.4	124	-15.6	172.6	0	0	0	0	112.9
984	V	27.5	Very low	28.2	Very low	136 Å²	136	123.2 Å²	123.2	82%	0.824	78%	0.784	S	S	*	*			trans	54.8	126.5	140.6	-178.1	0	0	0	0	122.7
985	A	28	Very low	28.1	Very low	87 Å²	87	128.5 Å²	128.5	72%	0.719	80%	0.801	S	S	*	*			trans	79.9	132.8	145.9	0	0	0	0	0	124.7
986	A	28.3	Very low	28.1	Very low	106 Å²	106	128 Å²	128	88%	0.876	80%	0.803	S	S	*	*			trans	56.8	151.9	132.8	0	0	0	0	0	123
987	G	26.4	Very low	28	Very low	80 Å²	80	125.4 Å²	125.4	83%	0.825	81%	0.805	S	S	*	*			trans	147.2	122.3	155.1	0	0	0	0	0	116.9
988	S	28.7	Very low	27.9	Very low	99 Å²	99	129 Å²	129	69%	0.692	81%	0.808	S	S	*	*			trans	-83.7	174.3	-176.6	50.6	0	0	0	0	116.9
989	D	29.1	Very low	29.1	Very low	160 Å²	160	131.1 Å²	131.1	86%	0.856	81%	0.809	S	S	*	*			trans	71.9	165.6	152.8	-58.1	-44.2	0	0	0	121.2
990	G	28.1	Very low	30.1	Very low	78 Å²	78	131.8 Å²	131.8	80%	0.804	81%	0.805	S	S	*	*			trans	155.5	0.8	155.4	0	0	0	0	0	124.3
991	R	31.7	Very low	31.5	Very low	231 Å²	231	131.2 Å²	131.2	87%	0.872	80%	0.799	S	S	*	*			trans	11.6	136.7	166.6	-109.6	-178.5	167.4	-177.7	-2	122.6
992	L	29.4	Very low	31.9	Very low	135 Å²	135	134.2 Å²	134.2	71%	0.707	80%	0.798	S	S	*	*			trans	73	123	141	-79.1	164.3	0	0	0	123.1
993	V	26.6	Very low	32.3	Very low	148 Å²	148	138.2 Å²	138.2	90%	0.897	80%	0.797	S	S	*	*				-143.3	153.6	127.8	178.4	0	0	0	0	108.1
994	A	30.3	Very low	32.3	Very low	84 Å²	84	138.8 Å²	138.8	69%	0.694	79%	0.791	S	S	*	*			trans	-145.5	159.2	175.9	0	0	0	0	0	111.7
995	M	26.3	Very low	32.7	Very low	200 Å²	200	136.4 Å²	136.4	99%	0.985	78%	0.78	S	S	*	*			trans	-164.9	168.2	154	-120.8	178.5	176.7	0	0	113.9
996	D	31.6	Very low	32.8	Very low	137 Å²	137	139.4 Å²	139.4	73%	0.733	78%	0.784	S	S	*	*			trans	-143.2	163.6	-172.6	-178.6	23.3	0	0	0	110.2
997	N	29.9	Very low	32.7	Very low	149 Å²	149	140.9 Å²	140.9	80%	0.797	77%	0.774	S	S	*	*			trans	138.9	158.7	155.4	-78.3	-73	0	0	0	117.3
998	R	26.1	Very low	32.9	Very low	235 Å²	235	142.3 Å²	142.3	89%	0.887	76%	0.763	S	S	*	*			trans	-123.1	-169.7	-177.4	-77.5	-178.6	174.4	-173.8	0.2	109.3
999	P	51.6	Low	33.3	Very low	112 Å²	112	145.9 Å²	145.9	73%	0.727	77%	0.768	S	S	*	*			cis	-126.1	-132.6	-49.7	36.5	-15.2	0	0	0	108.6
1000	P	49.1	Very low	33.8	Very low	115 Å²	115	145 Å²	145	75%	0.747	76%	0.762	S	S	*	*			cis	-119.4	-126.7	-33	34.5	-10.5	0	0	0	113.2
1001	P	54.1	Low	33.9	Very low	107 Å²	107	145.9 Å²	145.9	70%	0.695	76%	0.756	S	S	*	*				-140.3	175.6	-127.9	43.9	-21.4	0	0	0	120.8
1002	R	34.2	Very low	33.7	Very low	236 Å²	236	139.3 Å²	139.3	89%	0.891	75%	0.745	S	S	*	*			trans	54.8	127.7	151.1	-76.7	-179.7	173.2	-176.6	-1.5	121.2
1003	Q	34.3	Very low	33.7	Very low	160 Å²	160	139.3 Å²	139.3	75%	0.748	75%	0.75	S	S	*	*				-178.1	152.4	95.2	-105.7	-162	-43.3	0	0	115.3
1004	N	27.8	Very low	33.7	Very low	119 Å²	119	136.4 Å²	136.4	64%	0.636	73%	0.733	S	S	*	*			trans	57	145	144.5	-59	1.1	0	0	0	122.1
1005	S	36	Very low	33.9	Very low	86 Å²	86	137.3 Å²	137.3	60%	0.601	73%	0.726	S	S	*	*			cis	118.9	173.3	-4.9	75.1	0	0	0	0	115.2
1006	L	29.6	Very low	34.1	Very low	151 Å²	151	137.5 Å²	137.5	79%	0.791	72%	0.715	S	S	*	*			trans	72.1	146.7	172.6	-87.7	82.5	0	0	0	115.9
1007	M	26.7	Very low	33.7	Very low	137 Å²	137	139.7 Å²	139.7	68%	0.675	72%	0.719	S	S	*	*			cis	-161.2	-178.2	-20.9	-128.2	-78.8	-97.3	0	0	109.1
1008	D	29.5	Very low	33.5	Very low	109 Å²	109	138.4 Å²	138.4	58%	0.583	72%	0.717	S	S	*	*			trans	49.3	106	157.9	-68.2	-51.6	0	0	0	117.9
1009	Q	38.4	Very low	33.6	Very low	174 Å²	174	131.1 Å²	131.1	81%	0.813	71%	0.706	S	S	*	*				-146.4	122.2	100.6	-106.1	171	19.3	0	0	111.4
1010	I	38.4	Very low	32.3	Very low	141 Å²	141	132.8 Å²	132.8	72%	0.723	71%	0.709	S	S	*	*			trans	64.6	94.3	142.1	-60.7	167.1	0	0	0	114.1
1011	S	29.6	Very low	31.2	Very low	97 Å²	97	134.6 Å²	134.6	68%	0.678	71%	0.711	S	S	*	*			cis	53.3	136.7	27.4	-155.1	0	0	0	0	112
1012	C	27.9	Very low	29.8	Very low	93 Å²	93	134.8 Å²	134.8	63%	0.628	71%	0.71	S	S	*	*			cis	-146.3	-174.3	14	-152.6	0	0	0	0	106.4
1013	V	29	Very low	29.7	Very low	135 Å²	135	132.4 Å²	132.4	82%	0.818	71%	0.709	S	S	*	*				176.5	136.4	78.3	152.9	0	0	0	0	106.4
1014	V	27.6	Very low	29.2	Very low	88 Å²	88	131.6 Å²	131.6	53%	0.533	71%	0.709	S	S	.	*			cis	-168.5	159.5	-16.2	70.3	0	0	0	0	108.4
1015	N	33.3	Very low	29.1	Very low	103 Å²	103	133.4 Å²	133.4	55%	0.551	72%	0.719	S	S	*	*			trans	66.7	143.5	159	-66.2	-37.1	0	0	0	117.6
1016	R	31.1	Very low	28.6	Very low	203 Å²	203	133.4 Å²	133.4	77%	0.766	72%	0.719	S	S	*	*			cis	-153.3	133.4	-2.2	-124.1	163.1	-179.5	128.3	-2.3	107
1017	F	23.3	Very low	28.4	Very low	184 Å²	184	134.6 Å²	134.6	81%	0.807	72%	0.723	S	S	*	*				43.1	104.3	66.9	-86.7	-88.3	0	0	0	111.4
1018	T	26.5	Very low	28.3	Very low	122 Å²	122	135 Å²	135	75%	0.748	73%	0.725	S	S	*	*				-160.5	143.7	70.9	19.1	0	0	0	0	109.1
1019	A	26.6	Very low	28.2	Very low	81 Å²	81	137.2 Å²	137.2	67%	0.669	74%	0.735	S	S	*	*				62	114.1	81.2	0	0	0	0	0	111.9
1020	N	25.9	Very low	27.6	Very low	148 Å²	148	134 Å²	134	79%	0.791	73%	0.732	S	S	*	*				82.7	99.4	81	-173.3	34.7	0	0	0	112.8
1021	I	25.3	Very low	27.1	Very low	153 Å²	153	131.4 Å²	131.4	79%	0.785	73%	0.732	S	S	*	*			trans	-151.3	98	170	-96.1	159.4	0	0	0	103.7
1022	T	24.6	Very low	27.1	Very low	110 Å²	110	132.1 Å²	132.1	68%	0.675	74%	0.737	S	S	*	*				63.1	113.2	89.4	61.5	0	0	0	0	115.1
1023	E	32.1	Very low	27.7	Very low	187 Å²	187	132.9 Å²	132.9	87%	0.874	74%	0.741	S	S	*	*			trans	-70.1	123.9	147.9	-70.9	-167.7	133	0	0	109.3
1024	L	24.5	Very low	27.6	Very low	142 Å²	142	132 Å²	132	74%	0.743	74%	0.736	S	S	*	*				178.2	161.2	128.2	-118.4	67.2	0	0	0	110.6
1025	N	26.3	Very low	27.6	Very low	158 Å²	158	136.3 Å²	136.3	85%	0.845	75%	0.75	S	S	*	*			trans	88.3	75.9	-162.2	-60.5	-30.6	0	0	0	112.8
1026	S	25.5	Very low	27.3	Very low	85 Å²	85	137.5 Å²	137.5	59%	0.594	76%	0.761	S	S	*	*			cis	64.5	81.1	23.1	87	0	0	0	0	116.1
1027	M	24.1	Very low	27.2	Very low	177 Å²	177	135.3 Å²	135.3	87%	0.872	76%	0.759	S	S	*	*			trans	-129.3	134.2	145.1	-76.2	-170	167	0	0	108.6
1028	M	24	Very low	27.4	Very low	146 Å²	146	133.8 Å²	133.8	72%	0.719	75%	0.752	S	S	*	*			cis	-150.1	150	-24	-94.9	-154.7	-73.8	0	0	108.5
1029	L	27.8	Very low	27.4	Very low	154 Å²	154	136.3 Å²	136.3	81%	0.806	76%	0.755	S	S	*	*			trans	26.3	144.1	136.5	-57.8	173.3	0	0	0	119.4
1030	S	25.4	Very low	28.5	Very low	106 Å²	106	137.3 Å²	137.3	74%	0.741	76%	0.755	S	S	*	*			cis	178.2	165.5	13	34.6	0	0	0	0	108.7
1031	A	28.1	Very low	28.7	Very low	87 Å²	87	138.1 Å²	138.1	72%	0.719	76%	0.758	S	S	*	*			cis	-175.2	-171.7	-18	0	0	0	0	0	109.2
1032	S	30.1	Very low	29.4	Very low	112 Å²	112	136 Å²	136	78%	0.783	76%	0.755	S	S	*	*			trans	98	151	155.9	-50.7	0	0	0	0	117.4
1033	P	41.7	Very low	29.4	Very low	110 Å²	110	139.5 Å²	139.5	71%	0.714	76%	0.763	S	S	*	*				-145.4	-165.7	-91.4	34.6	-9.6	0	0	0	117.1
1034	T	26.6	Very low	29	Very low	117 Å²	117	139.4 Å²	139.4	72%	0.718	76%	0.764	S	S	*	*			trans	87	109.5	153.9	53.8	0	0	0	0	122.6
1035	H	27.8	Very low	29.1	Very low	177 Å²	177	140.7 Å²	140.7	82%	0.819	77%	0.767	S	S	*	*			trans	55.2	131.7	132	-78	-77.3	0	0	0	124.3
1036	T	26.6	Very low	29.7	Very low	128 Å²	128	138.3 Å²	138.3	79%	0.785	76%	0.76	S	S	*	*			trans	-123.2	149.1	157.4	51.4	0	0	0	0	110.7
1037	H	29.2	Very low	29.8	Very low	158 Å²	158	139 Å²	139	73%	0.731	76%	0.764	S	S	*	*			trans	-161	132.7	165.3	-117.8	17	0	0	0	114.5
1038	K	26	Very low	30.1	Very low	152 Å²	152	138.6 Å²	138.6	66%	0.661	77%	0.765	S	S	*	*			trans	40	121.5	147.9	-49.7	172.4	178.8	174.4	0	121.4
1039	H	27.1	Very low	30.2	Very low	175 Å²	175	134.8 Å²	134.8	81%	0.81	76%	0.763	S	S	*	*				161.1	160.4	102.6	-96.6	-71.6	0	0	0	111.9
1040	P	49.4	Very low	30.2	Very low	102 Å²	102	134.6 Å²	134.6	66%	0.662	76%	0.763	S	S	*	*			trans	-99.2	155.9	176.2	37.8	-31.8	0	0	0	113.7
1041	L	31.6	Very low	30.4	Very low	165 Å²	165	140.6 Å²	140.6	86%	0.864	77%	0.769	S	S	*	*			trans	44.1	129.1	156.6	-70	168.9	0	0	0	118.8
1042	P	38.7	Very low	30.4	Very low	109 Å²	109	140.4 Å²	140.4	71%	0.708	78%	0.776	S	S	*	*				-152.8	-177.4	72.9	41.5	-22.4	0	0	0	117.3
1043	H	24.2	Very low	30.1	Very low	183 Å²	183	138.7 Å²	138.7	85%	0.847	78%	0.776	S	S	*	*			trans	20.8	133.1	151.7	-73.7	-79.3	0	0	0	122.1
1044	M	24.3	Very low	29.2	Very low	184 Å²	184	139.6 Å²	139.6	91%	0.906	78%	0.783	S	S	*	*				143.7	145.7	114.3	-162.9	154.4	176.8	0	0	114.7
1045	E	26.3	Very low	30.1	Very low	169 Å²	169	139.7 Å²	139.7	79%	0.79	79%	0.786	S	S	*	*			trans	-58.1	168.1	170.3	-108.3	179.4	175.3	0	0	114.2
1046	P	38.6	Very low	30.3	Very low	109 Å²	109	137.4 Å²	137.4	71%	0.708	78%	0.784	S	S	*	*				-152.4	165.9	52.9	42.9	-22.6	0	0	0	120.3
1047	S	28.6	Very low	30.4	Very low	98 Å²	98	139.8 Å²	139.8	69%	0.685	79%	0.786	S	S	*	*			trans	48.4	136.5	142.4	66.9	0	0	0	0	120.6
1048	L	29.8	Very low	30.1	Very low	170 Å²	170	136.8 Å²	136.8	89%	0.89	78%	0.783	S	S	*	*			cis	-165.8	156.9	5.2	-150.3	67	0	0	0	107.5
1049	G	27.5	Very low	30.5	Very low	66 Å²	66	137.5 Å²	137.5	68%	0.68	79%	0.792	S	S	*	*			cis	132.5	88.7	-5.8	0	0	0	0	0	113.2
1050	N	27.4	Very low	30.9	Very low	149 Å²	149	135.2 Å²	135.2	80%	0.797	79%	0.793	S	S	*	*			trans	-146.4	160.5	166	-148.8	-10	0	0	0	113.7
1051	R	30	Very low	29.9	Very low	232 Å²	232	141.8 Å²	141.8	88%	0.875	81%	0.805	S	S	*	*			trans	-45.7	149	-177.8	-58.4	153.2	179.9	-164	-2.5	113.3
1052	G	27.2	Very low	30	Very low	83 Å²	83	139.4 Å²	139.4	86%	0.856	80%	0.802	S	S	*	*			cis	118	121.5	18.7	0	0	0	0	0	110.1
1053	G	24.8	Very low	30.5	Very low	77 Å²	77	139 Å²	139	79%	0.794	80%	0.799	S	S	*	*			trans	-175	158.1	-176.1	0	0	0	0	0	115.5
1054	C	22	Very low	30.7	Very low	128 Å²	128	141 Å²	141	87%	0.865	80%	0.801	S	S	*	*			trans	-91.1	-160.2	178.4	-40.9	0	0	0	0	110
1055	P	44.7	Very low	31.9	Very low	119 Å²	119	137.5 Å²	137.5	77%	0.773	79%	0.792	S	S	*	*			cis	-144.7	-168.9	20.7	44.9	-22.8	0	0	0	117.5
1056	V	31.9	Very low	32	Very low	129 Å²	129	136.7 Å²	136.7	78%	0.782	79%	0.792	S	S	*	*			trans	-83	154.3	170.2	174.1	0	0	0	0	111.1
1057	H	28.6	Very low	31.6	Very low	178 Å²	178	139.6 Å²	139.6	82%	0.824	80%	0.796	S	S	*	*			trans	-154.9	-170.1	155.6	-121.8	-51.3	0	0	0	114.7
1058	S	24.4	Very low	32.6	Very low	95 Å²	95	140.1 Å²	140.1	66%	0.664	80%	0.798	S	S	*	*			trans	-141.3	159.1	-149.6	52	0	0	0	0	115.9
1059	I	33.9	Very low	33.7	Very low	167 Å²	167	137.4 Å²	137.4	86%	0.856	79%	0.79	S	S	*	*			trans	-38.3	132.8	177.2	-65.6	159.1	0	0	0	115.6
1060	P	34.3	Very low	34.6	Very low	127 Å²	127	139.9 Å²	139.9	83%	0.825	79%	0.794	S	S	*	*				-147.3	-169.7	104.6	36.1	-15.9	0	0	0	116.5
1061	R	29.2	Very low	34.7	Very low	241 Å²	241	141.3 Å²	141.3	91%	0.909	80%	0.796	S	S	*	*			trans	-102.1	144	-166.6	-74.7	174.3	161	168.6	-7	116.5
1062	S	33.7	Very low	35.4	Very low	114 Å²	114	134.9 Å²	134.9	80%	0.797	78%	0.784	S	S	*	*			trans	67.5	165.1	149.8	-79.3	0	0	0	0	120.9
1063	P	48.5	Very low	35.6	Very low	102 Å²	102	139.2 Å²	139.2	66%	0.662	78%	0.781	S	S	*	*			cis	-144.5	165.4	-34.8	40	-22.4	0	0	0	118
1064	Y	29.1	Very low	35.7	Very low	223 Å²	223	141.8 Å²	141.8	88%	0.875	78%	0.782	S	S	*	*			trans	61.5	175.3	157.6	-72.1	-57.8	0	0	0	120.2
1065	P	49.9	Very low	35.7	Very low	111 Å²	111	140.6 Å²	140.6	72%	0.721	78%	0.775	S	S	*	*			cis	-132.8	-177.5	-5.3	43.2	-26.8	0	0	0	117.2
1066	L	28.5	Very low	35.2	Very low	152 Å²	152	139.9 Å²	139.9	80%	0.796	77%	0.77	S	S	*	*			trans	151.2	120.3	148.1	-82.9	162.7	0	0	0	109.7
1067	Q	30	Very low	34.8	Very low	170 Å²	170	138.5 Å²	138.5	79%	0.794	77%	0.767	S	S	*	*			cis	84.3	147.6	49.2	-86.5	-162.4	-25.5	0	0	116.5
1068	P	49.5	Very low	34.6	Very low	110 Å²	110	137.4 Å²	137.4	71%	0.714	77%	0.766	S	S	*	*			cis	-131.3	-129.1	-36.2	30.3	-5.5	0	0	0	114.7
1069	P	52.1	Low	34.5	Very low	113 Å²	113	137.7 Å²	137.7	73%	0.734	77%	0.768	S	S	*	*				-124.1	-155.1	-109.9	46.3	-27.3	0	0	0	113.8
1070	P	48	Very low	34.7	Very low	118 Å²	118	134.6 Å²	134.6	77%	0.766	76%	0.759	S	S	*	*			cis	-136.9	-177.5	-5.5	42.2	-22.4	0	0	0	118.2
1071	H	29.1	Very low	34.2	Very low	179 Å²	179	135.9 Å²	135.9	83%	0.829	76%	0.757	S	S	*	*			trans	-65.4	-178.6	170.6	-69.8	-59.2	0	0	0	114.9
1072	P	44.4	Very low	34	Very low	96 Å²	96	135.9 Å²	135.9	62%	0.623	76%	0.757	S	S	*	*			cis	-158.5	170.6	27.3	46.9	-24.9	0	0	0	123.6
1073	H	30.3	Very low	33.5	Very low	174 Å²	174	133.6 Å²	133.6	81%	0.806	75%	0.752	S	S	*	*			trans	54.7	157	150.6	-52.4	-37.7	0	0	0	120.5
1074	T	26.8	Very low	32.3	Very low	132 Å²	132	134 Å²	134	81%	0.81	76%	0.757	S	S	*	*			cis	-153.7	178.7	3.8	-12.4	0	0	0	0	111.6
1075	S	21.8	Very low	32	Very low	103 Å²	103	131 Å²	131	72%	0.72	76%	0.755	S	S	*	*			trans	-83.9	-167.4	174.8	59.9	0	0	0	0	113.1
1076	P	35.9	Very low	30.7	Very low	103 Å²	103	132.1 Å²	132.1	67%	0.669	76%	0.76	S	S	*	*			cis	-146.9	167.3	2.4	43	-22.7	0	0	0	120.1
1077	S	23.8	Very low	30.5	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	75%	0.754	S	S	*	*			trans	67.5	154	138.2	70.8	0	0	0	0	124.9
1078	L	24	Very low	30	Very low	155 Å²	155	125.8 Å²	125.8	81%	0.812	75%	0.75	S	S	*	*			trans	76.8	108.7	162.4	-92.4	71.3	0	0	0	121.5
1079	S	21.4	Very low	29	Very low	100 Å²	100	127.1 Å²	127.1	70%	0.699	75%	0.75	S	S	*	*				-8.5	-175.7	125.2	76.3	0	0	0	0	120.9
1080	P	37.7	Very low	28.2	Very low	103 Å²	103	127 Å²	127	67%	0.669	75%	0.749	S	S	*	*			cis	-142.8	-158.2	-2.8	33.8	-8.3	0	0	0	115.8
1081	I	25.6	Very low	27	Very low	154 Å²	154	127.3 Å²	127.3	79%	0.79	75%	0.745	S	S	*	*			trans	103.1	153.1	143.7	-81.9	168.8	0	0	0	123
1082	R	23.5	Very low	26.9	Very low	241 Å²	241	122.5 Å²	122.5	91%	0.909	73%	0.731	S	S	*	*			trans	-50.1	171.4	179.9	-61.7	165.1	171.5	165.2	-6.3	116.6
1083	G	23	Very low	26.6	Very low	66 Å²	66	120.5 Å²	120.5	68%	0.68	72%	0.718	S	S	*	*			cis	147.4	-167.2	-0.3	0	0	0	0	0	113.3
1084	S	23.3	Very low	26.6	Very low	110 Å²	110	115.5 Å²	115.5	77%	0.769	70%	0.697	S	S	*	*			trans	77	140.3	-176.1	-143	0	0	0	0	114.6
1085	L	23	Very low	26.6	Very low	160 Å²	160	119.8 Å²	119.8	84%	0.838	70%	0.698	S	S	*	*			cis	72.6	133.3	29.9	-54.9	165.6	0	0	0	112.3
1086	V	23.2	Very low	26.7	Very low	135 Å²	135	125.5 Å²	125.5	82%	0.818	70%	0.704	S	S	*	*			cis	-145.2	170.5	34.5	170.9	0	0	0	0	113.4
1087	A	23.2	Very low	26.4	Very low	82 Å²	82	125.9 Å²	125.9	68%	0.678	70%	0.704	S	S	*	*			trans	-60.1	-166.4	177.4	0	0	0	0	0	117.3
1088	C	21.4	Very low	26.6	Very low	106 Å²	106	128.4 Å²	128.4	72%	0.716	71%	0.705	S	S	*	*			cis	-141.5	158.4	22.9	-82.3	0	0	0	0	112.1
1089	I	28	Very low	26.7	Very low	139 Å²	139	129 Å²	129	71%	0.713	71%	0.708	S	S	*	*				53.4	118.1	75.9	-40.3	165.4	0	0	0	112.9
1090	P	34.2	Very low	26.9	Very low	109 Å²	109	133.1 Å²	133.1	71%	0.708	72%	0.716	S	S	*	*				-138.8	176.2	86.7	22.7	0.6	0	0	0	114.5
1091	D	24.3	Very low	26.3	Very low	126 Å²	126	137.3 Å²	137.3	67%	0.674	73%	0.727	S	S	*	*			cis	-162.4	171.9	-20.9	-92.4	-19.4	0	0	0	109.2
1092	S	25.2	Very low	26.4	Very low	78 Å²	78	139 Å²	139	55%	0.545	73%	0.731	S	S	.	*			trans	-92	-169.6	-179	29.9	0	0	0	0	114.5	E956	E956-S1092 WeakPolarHBondContact OE1-CA 3.25Å; E956-S1092 WeakPolarHBondContact OE1-CB 3.46Å; E956-S1092 PolarHBondContact OE1-OG 3.27Å
1093	P	39.4	Very low	26.5	Very low	53 Å²	53	135.6 Å²	135.6	34%	0.344	73%	0.73	S	S	.	*				-155.4	157.2	100.6	44.1	-26.3	0	0	0	121.4	E956 Y958	E956-P1093 HydrophobicContact CB-CB 3.7Å; E956-P1093 HydrophobicContact CG-CB 4.01Å; E956-P1093 WeakPolarHBondContact OE1-CA 3.49Å; E956-P1093 WeakPolarHBondContact OE2-CA 3.5Å; E956-P1093 WeakPolarHBondContact OE2-CB 3.32Å; Y958-P1093 HydrophobicContact CD2-CG 4.09Å
1094	L	29.8	Very low	26.8	Very low	69 Å²	69	140.7 Å²	140.7	36%	0.361	74%	0.74	S	S	.	*			trans	25.3	124.9	146.7	-82.7	161.1	0	0	0	122.5	E956	E956-L1094 HydrophobicContact CB-CD1 3.99Å; E956-L1094 WeakPolarHBondContact OE2-CG 3.12Å; E956-L1094 PolarHBondContact OE2-N 2.9Å; E956-L1094 VanDerWaalsContact OE2-N 3.13Å
1095	R	26.6	Very low	27.1	Very low	222 Å²	222	139.4 Å²	139.4	84%	0.838	74%	0.736	S	S	*	*				-170.9	170.3	86.6	-120.2	-179.7	-168.7	-157.7	-1.3	115.4
1096	R	24.6	Very low	27.2	Very low	224 Å²	224	139.9 Å²	139.9	85%	0.845	74%	0.738	S	S	*	*			trans	-114.9	172.6	177	-92.5	178.5	161.9	163.4	-7.7	110.6
1097	V	29.8	Very low	27.3	Very low	110 Å²	110	139.6 Å²	139.6	67%	0.667	74%	0.737	S	S	*	*			cis	-116.8	-128.6	6.4	-143.7	0	0	0	0	111.4
1098	E	28.5	Very low	27.7	Very low	155 Å²	155	141.7 Å²	141.7	72%	0.724	74%	0.744	S	S	*	*			cis	-160.8	163.7	4.2	-157.1	72.6	-87.6	0	0	110.3
1099	L	25.2	Very low	28.4	Very low	167 Å²	167	142.4 Å²	142.4	87%	0.874	75%	0.747	S	S	*	*			trans	71.7	129.4	165.9	-131.5	77.8	0	0	0	120.9
1100	E	24.7	Very low	28.5	Very low	186 Å²	186	141.2 Å²	141.2	87%	0.869	75%	0.751	S	S	*	*			trans	-104.3	146.8	171.5	-58.7	168.9	108.1	0	0	110.5
1101	E	26.4	Very low	28.6	Very low	192 Å²	192	141.6 Å²	141.6	90%	0.897	75%	0.754	S	S	*	*			trans	-169.4	166.9	134.7	-112.3	175.2	175.5	0	0	111.7
1102	E	27	Very low	28.9	Very low	189 Å²	189	146 Å²	146	88%	0.883	77%	0.767	S	S	*	*			trans	56.5	83.7	174.3	-60.1	-157.9	134.9	0	0	119.7
1103	L	26.1	Very low	29.2	Very low	169 Å²	169	152.8 Å²	152.8	89%	0.885	78%	0.781	S	S	*	*			trans	-152.2	106.5	144.2	-162	73.7	0	0	0	113.2
1104	I	28.9	Very low	28.6	Very low	174 Å²	174	156.3 Å²	156.3	89%	0.892	80%	0.797	S	S	*	*			trans	158	134.5	165	-88.7	153.2	0	0	0	105.3
1105	A	28.9	Very low	28.6	Very low	82 Å²	82	157.9 Å²	157.9	68%	0.678	81%	0.813	S	S	*	*			cis	-121.1	-166.4	-1.1	0	0	0	0	0	110.2
1106	L	26.3	Very low	28.8	Very low	170 Å²	170	155.7 Å²	155.7	89%	0.89	82%	0.817	S	S	*	*				-159.7	129.9	70	-84.4	165.5	0	0	0	112.2
1107	T	25.4	Very low	29	Very low	129 Å²	129	149 Å²	149	79%	0.791	82%	0.817	S	S	*	*			trans	-141.5	122.2	160	49.1	0	0	0	0	108.4
1108	P	31.3	Very low	28.9	Very low	126 Å²	126	148.9 Å²	148.9	82%	0.818	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-76.9	145.9	-177.2	30.6	-34.4	0	0	0	112.4
1109	P	36.1	Very low	28.9	Very low	122 Å²	122	146 Å²	146	79%	0.792	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-91.2	157.9	-175.2	36.1	-36.1	0	0	0	114
1110	S	29.3	Very low	29.1	Very low	113 Å²	113	143.8 Å²	143.8	79%	0.79	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-83.8	139.3	166.7	53.3	0	0	0	0	111.9
1111	P	38	Very low	29.2	Very low	118 Å²	118	138 Å²	138	77%	0.766	81%	0.808	S	S	*	*			trans	-90.4	111.1	179.8	33.6	-31.7	0	0	0	112.6
1112	F	29.4	Very low	29.2	Very low	217 Å²	217	134.4 Å²	134.4	95%	0.952	80%	0.804	S	S	*	*			trans	-159.5	130.7	133.1	-93.1	-64	0	0	0	107.6
1113	R	31.7	Very low	29.2	Very low	222 Å²	222	134.2 Å²	134.2	84%	0.838	80%	0.803	S	S	*	*			trans	-137.6	174	-171.3	-153.6	-169.7	-176.5	-135.7	9	109.6
1114	D	27.7	Very low	29.2	Very low	127 Å²	127	134.8 Å²	134.8	68%	0.679	81%	0.805	S	S	*	*			trans	87.1	130.9	166.3	-54.1	-21.3	0	0	0	114.1
1115	S	29.1	Very low	29.2	Very low	102 Å²	102	131.4 Å²	131.4	71%	0.713	80%	0.797	S	S	*	*			cis	-140.9	147.8	6.5	-86.9	0	0	0	0	115
1116	L	30.1	Very low	29.3	Very low	176 Å²	176	135.1 Å²	135.1	92%	0.921	80%	0.8	S	S	*	*			trans	12.3	133.5	140.4	-58.2	163	0	0	0	119.5
1117	G	29	Very low	29.6	Very low	82 Å²	82	133.7 Å²	133.7	85%	0.845	80%	0.799	S	S	*	*			trans	-179.3	67.5	170.5	0	0	0	0	0	117.3
1118	S	28.5	Very low	29.7	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	80%	0.797	S	S	*	*			trans	-48.3	150.5	-177	-177.9	0	0	0	0	118.8
1119	S	28.2	Very low	29.7	Very low	95 Å²	95	132.3 Å²	132.3	66%	0.664	80%	0.796	S	S	*	*			trans	75.1	123.7	141.1	49.3	0	0	0	0	123.7
1120	S	29	Very low	29.3	Very low	119 Å²	119	135.6 Å²	135.6	83%	0.832	80%	0.798	S	S	*	*			trans	65.8	136	133.4	67	0	0	0	0	122.4
1121	G	26.6	Very low	29.5	Very low	66 Å²	66	136.3 Å²	136.3	68%	0.68	80%	0.798	S	S	*	*			trans	134.8	109.3	139.9	0	0	0	0	0	117.1
1122	S	26.2	Very low	29.6	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	80%	0.797	S	S	*	*			trans	35	125.8	144.3	54.4	0	0	0	0	122.3
1123	Q	28	Very low	30.6	Very low	186 Å²	186	131.6 Å²	131.6	87%	0.869	79%	0.789	S	S	*	*			trans	4.1	135	138.1	-61.1	173.6	-26.5	0	0	119.5
1124	I	26.5	Very low	30.7	Very low	180 Å²	180	127 Å²	127	92%	0.923	79%	0.785	S	S	*	*				-164.6	172.4	127.7	-101.4	155.4	0	0	0	109
1125	S	28.1	Very low	31.5	Very low	103 Å²	103	126.8 Å²	126.8	72%	0.72	79%	0.791	S	S	*	*			trans	-121	177.3	-160	-158.1	0	0	0	0	115
1126	E	31.1	Very low	31.6	Very low	161 Å²	161	128.6 Å²	128.6	75%	0.752	79%	0.792	S	S	*	*			trans	82	116.9	152.1	-73.7	-171.8	158	0	0	124
1127	T	31.6	Very low	31.8	Very low	140 Å²	140	128.5 Å²	128.5	86%	0.859	79%	0.787	S	S	*	*			trans	82.1	150.6	133.7	63.2	0	0	0	0	123.4
1128	G	27.6	Very low	33	Very low	74 Å²	74	129.9 Å²	129.9	76%	0.763	78%	0.781	S	S	*	*			trans	109.8	75.7	170.8	0	0	0	0	0	115
1129	L	32.5	Very low	33.7	Very low	151 Å²	151	129.9 Å²	129.9	79%	0.791	78%	0.779	S	S	*	*				62.1	108.5	72.3	-146.8	101.8	0	0	0	115.4
1130	F	27.1	Very low	34.6	Very low	191 Å²	191	131.3 Å²	131.3	84%	0.838	79%	0.786	S	S	*	*				176.9	157.9	124.6	-104.9	-73.4	0	0	0	113.3
1131	V	33.4	Very low	34.7	Very low	128 Å²	128	130.9 Å²	130.9	78%	0.776	78%	0.782	S	S	*	*			trans	-147.3	136.5	-177.4	170.8	0	0	0	0	109.9
1132	P	40.5	Very low	35.4	Very low	115 Å²	115	133.6 Å²	133.6	75%	0.747	79%	0.788	S	S	*	*			trans	-152.3	-175.8	131.5	40.8	-23.3	0	0	0	113.8
1133	P	49.7	Very low	36.2	Very low	121 Å²	121	134 Å²	134	79%	0.786	79%	0.788	S	S	*	*				-133.7	-172.7	-60.5	41.5	-25.4	0	0	0	113.5
1134	V	34.9	Very low	36.4	Very low	127 Å²	127	130.3 Å²	130.3	77%	0.77	78%	0.783	S	S	*	*			trans	-131.9	145.3	179.5	176.1	0	0	0	0	111.6
1135	P	43.2	Very low	36.9	Very low	122 Å²	122	127.8 Å²	127.8	79%	0.792	78%	0.778	S	S	*	*			trans	-100.1	166.2	172.2	37.6	-32.9	0	0	0	114.7
1136	N	32.6	Very low	36.9	Very low	139 Å²	139	133.8 Å²	133.8	74%	0.743	79%	0.785	S	S	*	*			trans	-121.6	136.5	-165.9	-70.8	-51.6	0	0	0	116
1137	H	33.6	Very low	36.8	Very low	174 Å²	174	137.3 Å²	137.3	81%	0.806	79%	0.793	S	S	*	*			trans	51.2	165.6	137.9	-71.6	-49.3	0	0	0	123.4
1138	P	53.5	Low	36.7	Very low	111 Å²	111	136.7 Å²	136.7	72%	0.721	79%	0.789	S	S	*	*			cis	-121.6	-132.9	-26	39.8	-21.5	0	0	0	108.8
1139	P	44.7	Very low	36.8	Very low	110 Å²	110	144.1 Å²	144.1	71%	0.714	79%	0.794	S	S	*	*			cis	-116.1	-149.5	-45.3	43.1	-27.8	0	0	0	109.9
1140	P	46.9	Very low	36.6	Very low	125 Å²	125	144.7 Å²	144.7	81%	0.812	80%	0.797	S	S	*	*			cis	-115.1	-174.8	-32.6	40.3	-26.4	0	0	0	112.8
1141	S	31.6	Very low	36.6	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	79%	0.789	S	S	*	*			trans	-124.5	166.9	177.9	60.5	0	0	0	0	113.4
1142	P	40.2	Very low	36.3	Very low	123 Å²	123	143.3 Å²	143.3	80%	0.799	80%	0.797	S	S	*	*				-137.6	-159.4	120.4	44.5	-32.1	0	0	0	111.7
1143	P	43.3	Very low	35.7	Very low	125 Å²	125	149 Å²	149	81%	0.812	80%	0.804	S	S	*	*				-120.6	161.5	-103.5	34	-15.2	0	0	0	115.5
1144	S	32.6	Very low	34.7	Very low	108 Å²	108	150.4 Å²	150.4	76%	0.755	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-103.9	148.7	178	56.9	0	0	0	0	114.1
1145	P	36	Very low	34.2	Very low	127 Å²	127	155.8 Å²	155.8	83%	0.825	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-83	149.5	158.7	33.6	-31.1	0	0	0	110.9
1146	R	28.8	Very low	33.5	Very low	228 Å²	228	154.5 Å²	154.5	86%	0.86	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-88	149.7	-175.9	-58	167.2	178.3	161	-2.9	111.7
1147	Y	29.6	Very low	33.2	Very low	236 Å²	236	156.6 Å²	156.6	93%	0.925	81%	0.812	S	S	*	*			trans	-134.9	158.2	145.1	-106.4	-82	0	0	0	112.1
1148	T	28.7	Very low	33	Very low	126 Å²	126	153 Å²	153	77%	0.773	81%	0.806	S	S	*	*			trans	-94.8	130.3	-150.6	-46.5	0	0	0	0	113.8	L1150	T1148-L1150 PolarHBondContact O-N 3.18Å
1149	R	28.5	Very low	31.7	Very low	231 Å²	231	152.5 Å²	152.5	87%	0.872	81%	0.806	S	S	*	*			trans	-72.6	118.2	171.4	-171.6	-175.6	-165.4	-179.9	6.3	110.3
1150	L	28.4	Very low	30.9	Very low	163 Å²	163	152.3 Å²	152.3	85%	0.853	81%	0.807	S	S	*	*			trans	-111.4	119	169	-117.5	169.2	0	0	0	109.8	T1148	T1148-L1150 PolarHBondContact O-N 3.18Å
1151	T	27.9	Very low	29.9	Very low	109 Å²	109	151.7 Å²	151.7	67%	0.669	81%	0.805	S	S	*	*			trans	-85.6	136.8	-178.1	48.4	0	0	0	0	111.9
1152	L	26.7	Very low	29.7	Very low	180 Å²	180	158.2 Å²	158.2	94%	0.942	83%	0.83	S	S	*	*			trans	-122.9	154.2	153.9	-98.1	169.8	0	0	0	110.6
1153	R	28.8	Very low	29.1	Very low	235 Å²	235	160 Å²	160	89%	0.887	83%	0.832	S	S	*	*			trans	-87.1	154.5	-166.6	-93.2	175	162.2	157.1	-8	112.9
1154	N	27.6	Very low	28.4	Very low	151 Å²	151	161.8 Å²	161.8	81%	0.807	83%	0.833	S	S	*	*			trans	-42.2	139.1	165.5	-48.3	-5.3	0	0	0	112.5
1155	Y	25.3	Very low	28.2	Very low	240 Å²	240	164.8 Å²	164.8	94%	0.941	84%	0.837	S	S	*	*			trans	-135	137.8	135.6	-120.5	-86.6	0	0	0	108.8
1156	S	27.4	Very low	27.7	Very low	94 Å²	94	167 Å²	167	66%	0.657	84%	0.838	S	S	*	*			trans	-114.4	128.9	-172.4	53.8	0	0	0	0	110.9
1157	Q	26.8	Very low	27.6	Very low	183 Å²	183	163.2 Å²	163.2	86%	0.855	84%	0.837	S	S	*	*				-178.5	153.8	128.4	-102.6	167	-5.7	0	0	112.9
1158	S	28.7	Very low	27.5	Very low	99 Å²	99	158.3 Å²	158.3	69%	0.692	83%	0.831	S	S	*	*			trans	-5.4	146.4	153.2	43.2	0	0	0	0	119
1159	S	27.5	Very low	27.4	Very low	101 Å²	101	160.6 Å²	160.6	71%	0.706	84%	0.835	S	S	*	*			cis	-174.4	159.2	16	33.5	0	0	0	0	113.7
1160	S	27.3	Very low	27.3	Very low	106 Å²	106	155.2 Å²	155.2	74%	0.741	83%	0.832	S	S	*	*			trans	65.2	130.4	147.5	-57.9	0	0	0	0	121.9
1161	S	26.6	Very low	27.3	Very low	111 Å²	111	154.6 Å²	154.6	78%	0.776	83%	0.83	S	S	*	*			trans	52.8	93.7	148.7	61.7	0	0	0	0	119.1
1162	L	26.6	Very low	27.2	Very low	246 Å²	246	158.7 Å²	158.7	100%	1.288	85%	0.845	S	S	*	*				-150.2	0	94.2	-118.6	166.7	0	0	0	110.2

Retrieved 1,162 of 1,162 residues in 471.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).